Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2469 | 1byv RC | 4260 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1H CYS 1 1.693 -15.023 8.172
2 2H CYS 1 2H CYS 1 2.107 -14.109 9.481
3 3H CYS 1 3H CYS 1 1.747 -13.379 8.046
4 HA CYS 1 HA CYS 1 3.621 -14.352 6.999
5 1HB CYS 1 1HB CYS 1 4.109 -12.717 9.497
6 2HB CYS 1 2HB CYS 1 5.414 -13.194 8.416
7 H SER 2 H SER 2 5.753 -15.271 7.285
8 HA SER 2 HA SER 2 6.319 -16.946 9.597
9 1HB SER 2 1HB SER 2 4.757 -18.393 8.294
10 2HB SER 2 2HB SER 2 5.837 -18.252 6.892
11 HG SER 2 HG SER 2 6.222 -20.135 8.123
12 H ASN 3 H ASN 3 7.136 -15.781 6.331
13 HA ASN 3 HA ASN 3 9.783 -16.781 6.225
14 1HB ASN 3 1HB ASN 3 9.234 -14.178 4.870
15 2HB ASN 3 2HB ASN 3 10.028 -15.625 4.272
16 1HD2 ASN 3 1HD2 ASN 3 7.117 -13.839 4.609
17 H LEU 4 H LEU 4 8.469 -13.637 7.296
18 HA LEU 4 HA LEU 4 9.293 -11.861 8.390
19 1HB LEU 4 1HB LEU 4 11.446 -13.673 9.531
20 2HB LEU 4 2HB LEU 4 10.880 -12.127 10.166
21 HG LEU 4 HG LEU 4 9.265 -14.713 10.017
22 1HD1 LEU 4 1HD1 LEU 4 11.033 -14.691 11.735
23 2HD1 LEU 4 2HD1 LEU 4 10.392 -13.165 12.383
24 3HD1 LEU 4 3HD1 LEU 4 9.416 -14.649 12.462
25 1HD2 LEU 4 1HD2 LEU 4 8.484 -11.964 11.087
26 2HD2 LEU 4 2HD2 LEU 4 7.721 -12.830 9.733
27 3HD2 LEU 4 3HD2 LEU 4 7.578 -13.464 11.374
28 H SER 5 H SER 5 9.914 -12.097 5.766
29 HA SER 5 HA SER 5 12.090 -10.258 5.455
30 1HB SER 5 1HB SER 5 13.500 -12.262 5.632
31 2HB SER 5 2HB SER 5 12.506 -13.116 4.441
32 HG SER 5 HG SER 5 14.386 -12.185 3.536
33 H THR 6 H THR 6 10.613 -12.892 3.494
34 HA THR 6 HA THR 6 9.647 -11.187 1.382
35 HB THR 6 HB THR 6 8.936 -14.001 2.279
36 HG1 THR 6 HG1 THR 6 10.237 -14.517 0.499
37 1HG2 THR 6 1HG2 THR 6 8.159 -12.546 -0.280
38 2HG2 THR 6 2HG2 THR 6 7.962 -14.288 0.022
39 3HG2 THR 6 3HG2 THR 6 7.045 -13.123 0.976
40 H CYS 7 H CYS 7 8.442 -12.222 4.553
41 HA CYS 7 HA CYS 7 5.769 -11.320 4.489
42 1HB CYS 7 1HB CYS 7 6.652 -12.534 6.376
43 2HB CYS 7 2HB CYS 7 7.897 -11.312 6.636
44 H VAL 8 H VAL 8 8.757 -9.569 5.464
45 HA VAL 8 HA VAL 8 7.508 -7.095 5.956
46 HB VAL 8 HB VAL 8 10.415 -7.746 5.299
47 1HG1 VAL 8 1HG2 VAL 8 9.169 -5.269 6.566
48 2HG1 VAL 8 2HG2 VAL 8 10.907 -5.637 6.540
49 3HG1 VAL 8 3HG2 VAL 8 10.052 -5.347 5.023
50 1HG2 VAL 8 1HG1 VAL 8 8.950 -7.470 7.960
51 2HG2 VAL 8 2HG1 VAL 8 9.596 -8.978 7.279
52 3HG2 VAL 8 3HG1 VAL 8 10.700 -7.688 7.762
53 H LEU 9 H LEU 9 9.485 -8.118 3.132
54 HA LEU 9 HA LEU 9 9.225 -5.763 1.614
55 1HB LEU 9 1HB LEU 9 9.636 -8.658 0.784
56 2HB LEU 9 2HB LEU 9 9.840 -7.287 -0.311
57 HG LEU 9 HG LEU 9 11.442 -7.591 2.272
58 1HD1 LEU 9 1HD1 LEU 9 11.876 -9.507 0.786
59 2HD1 LEU 9 2HD1 LEU 9 12.192 -8.398 -0.566
60 3HD1 LEU 9 3HD1 LEU 9 13.271 -8.416 0.846
61 1HD2 LEU 9 1HD2 LEU 9 11.838 -5.863 -0.212
62 2HD2 LEU 9 2HD2 LEU 9 11.394 -5.283 1.409
63 3HD2 LEU 9 3HD2 LEU 9 12.982 -6.007 1.137
64 H GLY 10 H GLY 10 7.250 -8.770 1.508
65 1HA GLY 10 1HA GLY 10 5.528 -8.000 -0.603
66 2HA GLY 10 2HA GLY 10 5.194 -9.206 0.646
67 H LYS 11 H LYS 11 5.251 -7.598 2.961
68 HA LYS 11 HA LYS 11 2.600 -6.634 3.019
69 1HB LYS 11 1HB LYS 11 3.805 -7.561 4.923
70 2HB LYS 11 2HB LYS 11 4.887 -6.153 4.970
71 1HG LYS 11 1HG LYS 11 2.832 -4.714 5.358
72 2HG LYS 11 2HG LYS 11 1.873 -6.196 5.446
73 1HD LYS 11 1HD LYS 11 4.156 -5.326 7.275
74 2HD LYS 11 2HD LYS 11 2.439 -5.399 7.684
75 1HE LYS 11 1HE LYS 11 4.291 -7.764 7.142
76 2HE LYS 11 2HE LYS 11 3.597 -7.276 8.689
77 1HZ LYS 11 1HZ LYS 11 1.431 -7.742 7.813
78 2HZ LYS 11 2HZ LYS 11 2.073 -8.218 6.370
79 3HZ LYS 11 3HZ LYS 11 2.398 -9.076 7.739
80 H LEU 12 H LEU 12 5.722 -4.773 3.155
81 HA LEU 12 HA LEU 12 4.385 -2.256 3.126
82 1HB LEU 12 1HB LEU 12 6.523 -1.235 2.950
83 2HB LEU 12 2HB LEU 12 6.550 -2.571 4.092
84 HG LEU 12 HG LEU 12 7.496 -3.932 2.000
85 1HD1 LEU 12 1HD1 LEU 12 8.402 -1.073 1.404
86 2HD1 LEU 12 2HD1 LEU 12 9.015 -2.547 0.631
87 3HD1 LEU 12 3HD1 LEU 12 7.351 -2.032 0.352
88 1HD2 LEU 12 1HD2 LEU 12 8.643 -3.564 4.160
89 2HD2 LEU 12 2HD2 LEU 12 9.765 -3.415 2.797
90 3HD2 LEU 12 3HD2 LEU 12 9.158 -1.957 3.613
91 H SER 13 H SER 13 5.579 -4.341 0.485
92 HA SER 13 HA SER 13 5.324 -2.416 -1.606
93 1HB SER 13 1HB SER 13 6.591 -4.497 -1.844
94 2HB SER 13 2HB SER 13 5.100 -5.454 -1.687
95 HG SER 13 HG SER 13 5.706 -5.089 -3.859
96 H GLN 14 H GLN 14 3.080 -4.944 -0.376
97 HA GLN 14 HA GLN 14 0.873 -4.382 -2.033
98 1HB GLN 14 1HB GLN 14 1.166 -6.417 -0.693
99 2HB GLN 14 2HB GLN 14 0.960 -5.490 0.804
100 1HG GLN 14 1HG GLN 14 -1.348 -4.892 0.121
101 2HG GLN 14 2HG GLN 14 -1.132 -5.775 -1.400
102 1HE2 GLN 14 2HE2 GLN 14 -0.517 -8.163 -1.152
103 2HE2 GLN 14 1HE2 GLN 14 -1.281 -9.045 0.153
104 H GLU 15 H GLU 15 1.825 -3.009 1.151
105 HA GLU 15 HA GLU 15 -0.476 -1.425 1.596
106 1HB GLU 15 1HB GLU 15 1.142 -1.940 3.334
107 2HB GLU 15 2HB GLU 15 2.408 -1.037 2.483
108 1HG GLU 15 1HG GLU 15 1.189 1.063 2.782
109 2HG GLU 15 2HG GLU 15 -0.185 0.196 3.492
110 H LEU 16 H LEU 16 2.657 -0.625 -0.017
111 HA LEU 16 HA LEU 16 1.980 2.070 -0.606
112 1HB LEU 16 1HB LEU 16 3.937 0.107 -1.844
113 2HB LEU 16 2HB LEU 16 3.832 1.786 -2.374
114 HG LEU 16 HG LEU 16 4.327 1.074 0.545
115 1HD1 LEU 16 1HD1 LEU 16 6.101 0.039 -0.838
116 2HD1 LEU 16 2HD1 LEU 16 6.384 1.595 -1.644
117 3HD1 LEU 16 3HD1 LEU 16 6.726 1.412 0.091
118 1HD2 LEU 16 1HD2 LEU 16 4.868 3.585 -1.102
119 2HD2 LEU 16 2HD2 LEU 16 3.604 3.402 0.132
120 3HD2 LEU 16 3HD2 LEU 16 5.306 3.347 0.601
121 H HIS 17 H HIS 17 1.274 -0.963 -2.361
122 HA HIS 17 HA HIS 17 0.301 0.345 -4.749
123 1HB HIS 17 1HB HIS 17 -0.356 -2.403 -3.617
124 2HB HIS 17 2HB HIS 17 -0.680 -1.837 -5.257
125 HD1 HIS 17 HD1 HIS 17 1.044 -4.362 -4.652
126 HD2 HIS 17 HD2 HIS 17 2.605 -0.536 -5.364
127 HE1 HIS 17 HE1 HIS 17 3.425 -4.656 -5.487
128 H LYS 18 H LYS 18 -1.222 -0.870 -1.744
129 HA LYS 18 HA LYS 18 -3.912 -0.461 -2.535
130 1HB LYS 18 1HB LYS 18 -3.200 -1.997 -0.767
131 2HB LYS 18 2HB LYS 18 -2.656 -0.644 0.236
132 1HG LYS 18 1HG LYS 18 -4.986 0.214 0.342
133 2HG LYS 18 2HG LYS 18 -5.516 -1.117 -0.709
134 1HD LYS 18 1HD LYS 18 -4.802 -2.758 1.007
135 2HD LYS 18 2HD LYS 18 -4.179 -1.441 2.018
136 1HE LYS 18 1HE LYS 18 -6.344 -2.146 2.862
137 2HE LYS 18 2HE LYS 18 -6.473 -0.501 2.214
138 1HZ LYS 18 1HZ LYS 18 -7.273 -2.962 0.824
139 2HZ LYS 18 2HZ LYS 18 -8.293 -1.891 1.554
140 3HZ LYS 18 3HZ LYS 18 -7.424 -1.429 0.233
141 H LEU 19 H LEU 19 -1.897 1.451 -0.225
142 HA LEU 19 HA LEU 19 -3.823 3.590 -0.055
143 1HB LEU 19 1HB LEU 19 -0.898 3.568 0.787
144 2HB LEU 19 2HB LEU 19 -2.154 4.697 1.311
145 HG LEU 19 HG LEU 19 -2.000 1.708 1.926
146 1HD1 LEU 19 1HD1 LEU 19 -0.393 3.125 3.152
147 2HD1 LEU 19 2HD1 LEU 19 -1.724 4.162 3.707
148 3HD1 LEU 19 3HD1 LEU 19 -1.636 2.466 4.231
149 1HD2 LEU 19 1HD2 LEU 19 -4.106 3.756 2.734
150 2HD2 LEU 19 2HD2 LEU 19 -4.365 2.299 1.751
151 3HD2 LEU 19 3HD2 LEU 19 -3.930 2.144 3.455
152 H GLN 20 H GLN 20 -0.463 3.529 -1.332
153 HA GLN 20 HA GLN 20 0.601 4.709 -2.909
154 1HB GLN 20 1HB GLN 20 -1.100 3.251 -4.158
155 2HB GLN 20 2HB GLN 20 -2.023 4.728 -4.448
156 1HG GLN 20 1HG GLN 20 -0.021 5.694 -5.614
157 2HG GLN 20 2HG GLN 20 0.884 4.218 -5.244
158 1HE2 GLN 20 2HE2 GLN 20 0.976 4.701 -7.784
159 2HE2 GLN 20 1HE2 GLN 20 -0.168 3.762 -8.719
160 H THR 21 H THR 21 -0.174 6.289 -0.833
161 HA THR 21 HA THR 21 -0.478 8.364 -0.112
162 HB THR 21 HB THR 21 0.188 9.415 -2.883
163 HG1 THR 21 HG1 THR 21 2.349 9.064 -2.298
164 1HG2 THR 21 1HG2 THR 21 0.962 10.318 -0.065
165 2HG2 THR 21 2HG2 THR 21 1.481 11.081 -1.579
166 3HG2 THR 21 3HG2 THR 21 -0.219 11.138 -1.104
167 H TYR 22 H TYR 22 -2.785 6.944 -1.115
168 HA TYR 22 HA TYR 22 -4.989 7.200 -1.453
169 1HB TYR 22 1HB TYR 22 -4.477 9.847 -0.078
170 2HB TYR 22 2HB TYR 22 -6.023 9.010 -0.238
171 HD1 TYR 22 HD1 TYR 22 -6.498 6.944 1.020
172 HD2 TYR 22 HD2 TYR 22 -2.765 9.051 1.495
173 HE1 TYR 22 HE1 TYR 22 -6.036 5.664 3.091
174 HE2 TYR 22 HE2 TYR 22 -2.290 7.746 3.545
175 HH TYR 22 HH TYR 22 -3.037 6.128 5.000
176 HA PRO 23 HA PRO 23 -4.864 9.918 -5.215
177 1HB PRO 23 1HB PRO 23 -5.241 8.087 -7.162
178 2HB PRO 23 2HB PRO 23 -3.673 8.245 -6.329
179 1HG PRO 23 1HG PRO 23 -5.868 6.249 -5.703
180 2HG PRO 23 2HG PRO 23 -4.135 5.919 -5.990
181 1HD PRO 23 1HD PRO 23 -5.202 6.225 -3.481
182 2HD PRO 23 2HD PRO 23 -3.539 6.754 -3.879
183 H ARG 24 H ARG 24 -6.807 10.479 -3.758
184 HA ARG 24 HA ARG 24 -9.349 9.222 -4.177
185 1HB ARG 24 1HB ARG 24 -8.676 12.009 -3.137
186 2HB ARG 24 2HB ARG 24 -10.246 11.196 -3.024
187 1HG ARG 24 1HG ARG 24 -9.143 9.355 -1.702
188 2HG ARG 24 2HG ARG 24 -7.635 10.289 -1.738
189 1HD ARG 24 1HD ARG 24 -8.883 12.205 -0.639
190 2HD ARG 24 2HD ARG 24 -10.274 11.126 -0.487
191 HE ARG 24 HE ARG 24 -9.261 9.951 1.201
192 1HH1 ARG 24 1HH2 ARG 24 -6.844 12.153 -0.226
193 2HH1 ARG 24 2HH2 ARG 24 -5.690 11.880 1.057
194 1HH2 ARG 24 1HH1 ARG 24 -7.719 9.614 2.837
195 2HH2 ARG 24 2HH1 ARG 24 -6.178 10.438 2.782
196 H THR 25 H THR 25 -8.031 12.372 -5.288
197 HA THR 25 HA THR 25 -9.260 12.067 -7.932
198 HB THR 25 HB THR 25 -9.878 14.381 -6.055
199 HG1 THR 25 HG1 THR 25 -11.997 13.701 -6.354
200 1HG2 THR 25 1HG2 THR 25 -10.546 14.033 -9.011
201 2HG2 THR 25 2HG2 THR 25 -11.245 15.278 -7.956
202 3HG2 THR 25 3HG2 THR 25 -9.513 15.294 -8.297
203 H ASP 26 H ASP 26 -8.034 13.106 -9.477
204 HA ASP 26 HA ASP 26 -5.915 14.999 -8.708
205 1HB ASP 26 1HB ASP 26 -4.865 12.792 -8.386
206 2HB ASP 26 2HB ASP 26 -5.321 12.313 -10.024
207 H VAL 27 H VAL 27 -7.044 16.505 -9.895
208 HA VAL 27 HA VAL 27 -6.637 16.404 -12.779
209 HB VAL 27 HB VAL 27 -8.804 15.266 -12.521
210 1HG1 VAL 27 1HG1 VAL 27 -9.594 16.424 -10.431
211 2HG1 VAL 27 2HG1 VAL 27 -9.924 17.872 -11.407
212 3HG1 VAL 27 3HG1 VAL 27 -10.792 16.366 -11.732
213 1HG2 VAL 27 1HG2 VAL 27 -8.317 16.616 -14.531
214 2HG2 VAL 27 2HG2 VAL 27 -10.046 16.589 -14.141
215 3HG2 VAL 27 3HG2 VAL 27 -9.080 18.029 -13.769
216 H GLY 28 H GLY 28 -7.944 18.164 -9.949
217 1HA GLY 28 1HA GLY 28 -6.397 20.483 -10.295
218 2HA GLY 28 2HA GLY 28 -7.944 20.756 -11.125
219 H ALA 29 H ALA 29 -9.828 19.590 -9.658
220 HA ALA 29 HA ALA 29 -10.195 21.305 -7.419
221 1HB ALA 29 1HB ALA 29 -12.043 20.425 -8.766
222 2HB ALA 29 2HB ALA 29 -11.675 18.770 -8.237
223 3HB ALA 29 3HB ALA 29 -12.240 19.979 -7.060
224 H GLY 30 H GLY 30 -9.574 17.748 -7.603
225 1HA GLY 30 1HA GLY 30 -8.522 16.332 -6.149
226 2HA GLY 30 2HA GLY 30 -7.908 17.730 -5.260
227 H THR 31 H THR 31 -11.178 16.357 -5.941
228 HA THR 31 HA THR 31 -12.194 17.100 -3.362
229 HB THR 31 HB THR 31 -14.238 15.899 -4.134
230 HG1 THR 31 HG1 THR 31 -12.675 15.319 -6.421
231 1HG2 THR 31 1HG2 THR 31 -13.833 18.260 -4.810
232 2HG2 THR 31 2HG2 THR 31 -13.035 17.685 -6.292
233 3HG2 THR 31 3HG2 THR 31 -14.754 17.348 -6.022
234 HA PRO 32 HA PRO 32 -11.152 13.327 -1.188
235 1HB PRO 32 1HB PRO 32 -13.032 13.253 0.794
236 2HB PRO 32 2HB PRO 32 -11.715 14.458 0.738
237 1HG PRO 32 1HG PRO 32 -14.570 14.811 -0.207
238 2HG PRO 32 2HG PRO 32 -13.618 15.899 0.840
239 1HD PRO 32 1HD PRO 32 -13.857 16.323 -1.840
240 2HD PRO 32 2HD PRO 32 -12.327 16.672 -0.984
241 H1 NAG 300 H1 NAG 3 5.809 -15.371 2.445
242 H2 NAG 300 H2 NAG 3 4.653 -14.645 5.159
243 H3 NAG 300 H3 NAG 3 3.057 -15.705 2.794
244 H4 NAG 300 H4 NAG 3 3.074 -12.944 4.065
245 H5 NAG 300 H5 NAG 3 4.132 -13.972 1.386
246 1H6 NAG 300 1H6 NAG 3 3.127 -11.770 1.046
247 2H6 NAG 300 2H6 NAG 3 4.896 -11.657 1.010
248 1H8 NAG 300 1H8 NAG 3 6.063 -19.144 4.686
249 2H8 NAG 300 2H8 NAG 3 4.347 -19.233 5.161
250 3H8 NAG 300 3H8 NAG 3 4.864 -19.822 3.568
251 HN2 NAG 300 HN2 NAG 3 4.943 -16.848 5.591
252 HO4 NAG 300 HO4 NAG 3 1.636 -12.528 2.309
253 HO3 NAG 300 HO3 NAG 3 2.319 -16.285 4.918
254 HO6 NAG 300 HO6 NAG 3 3.935 -10.006 2.279
255 1HN NH2 33 1HN NH2 33 -14.622 13.790 -2.131
256 2HN NH2 33 2HN NH2 33 -14.905 12.110 -2.529
Start of MODEL 2
1 1H CYS 1 1H CYS 1 2.893 -16.729 8.451
2 2H CYS 1 2H CYS 1 3.324 -15.606 9.581
3 3H CYS 1 3H CYS 1 2.398 -15.164 8.289
4 HA CYS 1 HA CYS 1 4.146 -15.634 6.779
5 1HB CYS 1 1HB CYS 1 4.759 -13.701 9.030
6 2HB CYS 1 2HB CYS 1 5.788 -13.879 7.605
7 H SER 2 H SER 2 5.528 -15.623 10.073
8 HA SER 2 HA SER 2 7.047 -16.867 11.115
9 1HB SER 2 1HB SER 2 7.178 -18.794 8.760
10 2HB SER 2 2HB SER 2 7.756 -19.038 10.409
11 HG SER 2 HG SER 2 5.593 -18.795 11.118
12 H ASN 3 H ASN 3 7.946 -16.689 7.618
13 HA ASN 3 HA ASN 3 10.728 -16.488 8.115
14 1HB ASN 3 1HB ASN 3 10.941 -15.877 5.786
15 2HB ASN 3 2HB ASN 3 9.870 -17.259 6.003
16 1HD2 ASN 3 1HD2 ASN 3 7.678 -17.080 5.458
17 H LEU 4 H LEU 4 8.255 -13.950 7.576
18 HA LEU 4 HA LEU 4 8.289 -11.704 7.798
19 1HB LEU 4 1HB LEU 4 10.315 -12.291 9.989
20 2HB LEU 4 2HB LEU 4 9.394 -10.796 9.803
21 HG LEU 4 HG LEU 4 8.127 -13.533 10.290
22 1HD1 LEU 4 1HD1 LEU 4 9.514 -12.831 12.197
23 2HD1 LEU 4 2HD1 LEU 4 8.692 -11.255 12.228
24 3HD1 LEU 4 3HD1 LEU 4 7.789 -12.741 12.592
25 1HD2 LEU 4 1HD2 LEU 4 6.980 -10.703 10.384
26 2HD2 LEU 4 2HD2 LEU 4 6.574 -11.957 9.194
27 3HD2 LEU 4 3HD2 LEU 4 6.129 -12.178 10.888
28 H SER 5 H SER 5 9.555 -12.307 5.612
29 HA SER 5 HA SER 5 11.640 -10.257 5.354
30 1HB SER 5 1HB SER 5 12.972 -12.211 5.996
31 2HB SER 5 2HB SER 5 12.183 -13.206 4.760
32 HG SER 5 HG SER 5 13.724 -10.865 4.301
33 H THR 6 H THR 6 10.462 -13.113 3.506
34 HA THR 6 HA THR 6 9.874 -11.676 1.080
35 HB THR 6 HB THR 6 8.861 -14.310 2.205
36 HG1 THR 6 HG1 THR 6 10.964 -13.718 0.406
37 1HG2 THR 6 1HG2 THR 6 8.800 -13.247 -0.652
38 2HG2 THR 6 2HG2 THR 6 8.391 -14.905 -0.162
39 3HG2 THR 6 3HG2 THR 6 7.385 -13.553 0.382
40 H CYS 7 H CYS 7 8.035 -12.747 3.942
41 HA CYS 7 HA CYS 7 5.468 -11.738 3.398
42 1HB CYS 7 1HB CYS 7 5.832 -13.183 5.224
43 2HB CYS 7 2HB CYS 7 7.118 -12.185 5.886
44 H VAL 8 H VAL 8 8.222 -10.123 5.106
45 HA VAL 8 HA VAL 8 6.904 -7.685 5.599
46 HB VAL 8 HB VAL 8 9.839 -8.427 5.360
47 1HG1 VAL 8 1HG2 VAL 8 8.628 -5.769 6.229
48 2HG1 VAL 8 2HG2 VAL 8 10.296 -6.278 6.571
49 3HG1 VAL 8 3HG2 VAL 8 9.781 -6.046 4.899
50 1HG2 VAL 8 1HG1 VAL 8 8.478 -9.398 7.241
51 2HG2 VAL 8 2HG1 VAL 8 9.757 -8.309 7.804
52 3HG2 VAL 8 3HG1 VAL 8 8.071 -7.754 7.756
53 H LEU 9 H LEU 9 9.134 -8.520 2.896
54 HA LEU 9 HA LEU 9 8.953 -6.104 1.455
55 1HB LEU 9 1HB LEU 9 9.378 -8.978 0.582
56 2HB LEU 9 2HB LEU 9 9.528 -7.613 -0.526
57 HG LEU 9 HG LEU 9 11.171 -7.790 2.035
58 1HD1 LEU 9 1HD1 LEU 9 11.630 -9.784 0.649
59 2HD1 LEU 9 2HD1 LEU 9 11.907 -8.744 -0.764
60 3HD1 LEU 9 3HD1 LEU 9 13.002 -8.664 0.633
61 1HD2 LEU 9 1HD2 LEU 9 11.532 -6.220 -0.558
62 2HD2 LEU 9 2HD2 LEU 9 11.063 -5.538 1.013
63 3HD2 LEU 9 3HD2 LEU 9 12.668 -6.246 0.805
64 H GLY 10 H GLY 10 6.838 -8.988 1.411
65 1HA GLY 10 1HA GLY 10 5.163 -8.284 -0.746
66 2HA GLY 10 2HA GLY 10 4.745 -9.332 0.619
67 H LYS 11 H LYS 11 4.725 -7.735 2.802
68 HA LYS 11 HA LYS 11 2.216 -6.423 2.516
69 1HB LYS 11 1HB LYS 11 4.224 -6.530 4.795
70 2HB LYS 11 2HB LYS 11 2.648 -5.758 4.934
71 1HG LYS 11 1HG LYS 11 3.174 -8.706 4.369
72 2HG LYS 11 2HG LYS 11 2.575 -7.996 5.867
73 1HD LYS 11 1HD LYS 11 1.105 -8.198 3.204
74 2HD LYS 11 2HD LYS 11 0.760 -9.043 4.709
75 1HE LYS 11 1HE LYS 11 0.220 -6.868 5.808
76 2HE LYS 11 2HE LYS 11 0.470 -6.038 4.257
77 1HZ LYS 11 1HZ LYS 11 -1.507 -8.137 4.747
78 2HZ LYS 11 2HZ LYS 11 -1.812 -6.519 4.649
79 3HZ LYS 11 3HZ LYS 11 -1.270 -7.336 3.324
80 H LEU 12 H LEU 12 5.541 -5.038 2.920
81 HA LEU 12 HA LEU 12 4.534 -2.370 3.075
82 1HB LEU 12 1HB LEU 12 6.750 -1.589 2.924
83 2HB LEU 12 2HB LEU 12 6.658 -3.000 3.969
84 HG LEU 12 HG LEU 12 7.426 -4.300 1.778
85 1HD1 LEU 12 1HD2 LEU 12 8.589 -1.507 1.323
86 2HD1 LEU 12 2HD2 LEU 12 9.037 -2.981 0.445
87 3HD1 LEU 12 3HD2 LEU 12 7.425 -2.292 0.247
88 1HD2 LEU 12 1HD1 LEU 12 8.659 -4.173 3.915
89 2HD2 LEU 12 2HD1 LEU 12 9.766 -4.010 2.542
90 3HD2 LEU 12 3HD1 LEU 12 9.285 -2.574 3.470
91 H SER 13 H SER 13 5.468 -4.427 0.302
92 HA SER 13 HA SER 13 5.237 -2.379 -1.689
93 1HB SER 13 1HB SER 13 6.372 -4.511 -2.099
94 2HB SER 13 2HB SER 13 4.844 -5.393 -1.896
95 HG SER 13 HG SER 13 5.333 -4.955 -4.084
96 H GLN 14 H GLN 14 2.927 -4.753 -0.313
97 HA GLN 14 HA GLN 14 0.733 -4.231 -1.968
98 1HB GLN 14 1HB GLN 14 1.023 -6.176 -0.429
99 2HB GLN 14 2HB GLN 14 0.712 -5.104 0.947
100 1HG GLN 14 1HG GLN 14 -1.534 -4.554 -0.182
101 2HG GLN 14 2HG GLN 14 -1.189 -5.877 -1.301
102 1HE2 GLN 14 2HE2 GLN 14 -0.450 -8.005 -0.059
103 2HE2 GLN 14 1HE2 GLN 14 -1.436 -8.428 1.324
104 H GLU 15 H GLU 15 1.477 -2.835 1.293
105 HA GLU 15 HA GLU 15 -0.892 -1.271 1.369
106 1HB GLU 15 1HB GLU 15 -0.084 -0.380 3.406
107 2HB GLU 15 2HB GLU 15 0.377 -2.088 3.328
108 1HG GLU 15 1HG GLU 15 2.657 -1.297 2.511
109 2HG GLU 15 2HG GLU 15 2.158 0.351 2.912
110 H LEU 16 H LEU 16 2.448 -0.470 0.309
111 HA LEU 16 HA LEU 16 1.932 2.333 -0.057
112 1HB LEU 16 1HB LEU 16 3.990 0.443 -1.248
113 2HB LEU 16 2HB LEU 16 3.977 2.181 -1.562
114 HG LEU 16 HG LEU 16 4.203 1.000 1.242
115 1HD1 LEU 16 1HD1 LEU 16 6.149 0.376 -0.189
116 2HD1 LEU 16 2HD1 LEU 16 6.380 2.087 -0.597
117 3HD1 LEU 16 3HD1 LEU 16 6.597 1.532 1.077
118 1HD2 LEU 16 1HD2 LEU 16 4.634 3.817 0.154
119 2HD2 LEU 16 2HD2 LEU 16 3.370 3.304 1.294
120 3HD2 LEU 16 3HD2 LEU 16 5.061 3.279 1.791
121 H HIS 17 H HIS 17 1.575 -0.523 -2.195
122 HA HIS 17 HA HIS 17 0.851 0.976 -4.535
123 1HB HIS 17 1HB HIS 17 1.641 -1.322 -4.653
124 2HB HIS 17 2HB HIS 17 0.272 -1.888 -3.688
125 HD1 HIS 17 HD1 HIS 17 -1.989 -2.221 -4.856
126 HD2 HIS 17 HD2 HIS 17 0.938 -0.545 -7.346
127 HE1 HIS 17 HE1 HIS 17 -2.905 -2.247 -7.227
128 H LYS 18 H LYS 18 -1.031 -0.508 -1.874
129 HA LYS 18 HA LYS 18 -3.609 -0.093 -2.959
130 1HB LYS 18 1HB LYS 18 -3.039 -1.697 -1.190
131 2HB LYS 18 2HB LYS 18 -2.715 -0.368 -0.059
132 1HG LYS 18 1HG LYS 18 -5.144 0.368 -0.455
133 2HG LYS 18 2HG LYS 18 -5.369 -1.155 -1.326
134 1HD LYS 18 1HD LYS 18 -4.597 -0.788 1.612
135 2HD LYS 18 2HD LYS 18 -6.160 -1.292 0.967
136 1HE LYS 18 1HE LYS 18 -5.276 -3.311 1.635
137 2HE LYS 18 2HE LYS 18 -4.851 -3.306 -0.084
138 1HZ LYS 18 1HZ LYS 18 -3.102 -2.547 2.161
139 2HZ LYS 18 2HZ LYS 18 -3.050 -3.978 1.345
140 3HZ LYS 18 3HZ LYS 18 -2.651 -2.576 0.577
141 H LEU 19 H LEU 19 -1.936 1.712 -0.318
142 HA LEU 19 HA LEU 19 -3.924 3.802 -0.252
143 1HB LEU 19 1HB LEU 19 -1.130 3.686 0.957
144 2HB LEU 19 2HB LEU 19 -2.401 4.839 1.379
145 HG LEU 19 HG LEU 19 -2.551 1.811 1.789
146 1HD1 LEU 19 1HD1 LEU 19 -0.871 2.890 3.229
147 2HD1 LEU 19 2HD1 LEU 19 -2.086 4.066 3.779
148 3HD1 LEU 19 3HD1 LEU 19 -2.270 2.342 4.170
149 1HD2 LEU 19 1HD2 LEU 19 -4.433 4.053 2.650
150 2HD2 LEU 19 2HD2 LEU 19 -4.806 2.730 1.520
151 3HD2 LEU 19 3HD2 LEU 19 -4.517 2.375 3.225
152 H GLN 20 H GLN 20 -0.446 3.805 -1.137
153 HA GLN 20 HA GLN 20 0.815 5.156 -2.376
154 1HB GLN 20 1HB GLN 20 -0.701 3.891 -4.048
155 2HB GLN 20 2HB GLN 20 -1.571 5.410 -4.252
156 1HG GLN 20 1HG GLN 20 0.044 5.185 -6.016
157 2HG GLN 20 2HG GLN 20 0.629 6.474 -4.965
158 1HE2 GLN 20 2HE2 GLN 20 2.634 6.205 -3.914
159 2HE2 GLN 20 1HE2 GLN 20 3.644 4.792 -4.124
160 H THR 21 H THR 21 -0.149 6.465 -0.269
161 HA THR 21 HA THR 21 -0.547 8.424 0.690
162 HB THR 21 HB THR 21 0.545 9.765 -1.811
163 HG1 THR 21 HG1 THR 21 1.930 8.464 0.288
164 1HG2 THR 21 1HG2 THR 21 0.804 10.389 1.174
165 2HG2 THR 21 2HG2 THR 21 1.565 11.293 -0.149
166 3HG2 THR 21 3HG2 THR 21 -0.194 11.307 0.031
167 H TYR 22 H TYR 22 -2.793 7.370 -0.198
168 HA TYR 22 HA TYR 22 -4.968 7.767 -0.776
169 1HB TYR 22 1HB TYR 22 -5.866 9.616 0.639
170 2HB TYR 22 2HB TYR 22 -4.902 8.385 1.422
171 HD1 TYR 22 HD1 TYR 22 -2.698 8.830 2.370
172 HD2 TYR 22 HD2 TYR 22 -5.066 11.985 0.625
173 HE1 TYR 22 HE1 TYR 22 -1.172 10.518 3.338
174 HE2 TYR 22 HE2 TYR 22 -3.519 13.663 1.561
175 HH TYR 22 HH TYR 22 -0.683 12.754 3.557
176 HA PRO 23 HA PRO 23 -4.317 10.808 -4.267
177 1HB PRO 23 1HB PRO 23 -5.333 9.241 -6.294
178 2HB PRO 23 2HB PRO 23 -3.631 9.216 -5.756
179 1HG PRO 23 1HG PRO 23 -5.837 7.310 -4.971
180 2HG PRO 23 2HG PRO 23 -4.166 6.925 -5.462
181 1HD PRO 23 1HD PRO 23 -4.922 7.030 -2.856
182 2HD PRO 23 2HD PRO 23 -3.301 7.592 -3.369
183 H ARG 24 H ARG 24 -7.069 8.507 -3.882
184 HA ARG 24 HA ARG 24 -9.062 10.678 -4.008
185 1HB ARG 24 1HB ARG 24 -9.427 8.293 -4.848
186 2HB ARG 24 2HB ARG 24 -9.466 7.780 -3.162
187 1HG ARG 24 1HG ARG 24 -11.327 9.770 -4.553
188 2HG ARG 24 2HG ARG 24 -11.708 8.114 -4.061
189 1HD ARG 24 1HD ARG 24 -11.260 8.840 -1.653
190 2HD ARG 24 2HD ARG 24 -11.184 10.504 -2.258
191 HE ARG 24 HE ARG 24 -13.430 10.575 -2.611
192 1HH1 ARG 24 1HH2 ARG 24 -12.547 7.220 -1.781
193 2HH1 ARG 24 2HH2 ARG 24 -14.203 6.753 -1.481
194 1HH2 ARG 24 1HH1 ARG 24 -15.566 9.919 -2.214
195 2HH2 ARG 24 2HH1 ARG 24 -15.912 8.274 -1.733
196 H THR 25 H THR 25 -8.684 12.051 -2.304
197 HA THR 25 HA THR 25 -7.426 11.293 0.116
198 HB THR 25 HB THR 25 -8.989 13.800 -0.614
199 HG1 THR 25 HG1 THR 25 -7.172 13.318 -1.910
200 1HG2 THR 25 1HG2 THR 25 -7.010 13.270 1.653
201 2HG2 THR 25 2HG2 THR 25 -7.632 14.864 1.179
202 3HG2 THR 25 3HG2 THR 25 -8.739 13.650 1.835
203 H ASP 26 H ASP 26 -10.758 12.579 -0.239
204 HA ASP 26 HA ASP 26 -12.688 12.205 0.774
205 1HB ASP 26 1HB ASP 26 -12.269 9.795 0.258
206 2HB ASP 26 2HB ASP 26 -11.589 9.585 1.874
207 H VAL 27 H VAL 27 -13.626 13.012 2.611
208 HA VAL 27 HA VAL 27 -11.916 13.768 4.847
209 HB VAL 27 HB VAL 27 -14.917 14.081 4.425
210 1HG1 VAL 27 1HG1 VAL 27 -13.023 15.295 6.493
211 2HG1 VAL 27 2HG1 VAL 27 -14.714 15.773 6.243
212 3HG1 VAL 27 3HG1 VAL 27 -14.339 14.150 6.831
213 1HG2 VAL 27 1HG2 VAL 27 -12.613 16.043 4.063
214 2HG2 VAL 27 2HG2 VAL 27 -13.600 15.343 2.762
215 3HG2 VAL 27 3HG2 VAL 27 -14.340 16.432 3.943
216 H GLY 28 H GLY 28 -15.089 12.069 4.915
217 1HA GLY 28 1HA GLY 28 -15.792 10.207 6.029
218 2HA GLY 28 2HA GLY 28 -14.112 9.735 6.325
219 H ALA 29 H ALA 29 -12.943 10.964 8.013
220 HA ALA 29 HA ALA 29 -14.434 12.562 9.951
221 1HB ALA 29 1HB ALA 29 -13.160 9.905 10.757
222 2HB ALA 29 2HB ALA 29 -13.784 11.141 11.875
223 3HB ALA 29 3HB ALA 29 -14.893 10.288 10.787
224 H GLY 30 H GLY 30 -12.840 13.789 8.494
225 1HA GLY 30 1HA GLY 30 -10.999 15.197 8.675
226 2HA GLY 30 2HA GLY 30 -10.248 14.146 9.883
227 H THR 31 H THR 31 -9.532 15.277 7.024
228 HA THR 31 HA THR 31 -9.356 13.102 5.257
229 HB THR 31 HB THR 31 -7.717 14.577 4.028
230 HG1 THR 31 HG1 THR 31 -7.398 16.644 4.913
231 1HG2 THR 31 1HG2 THR 31 -10.139 14.814 3.637
232 2HG2 THR 31 2HG2 THR 31 -10.256 15.967 4.988
233 3HG2 THR 31 3HG2 THR 31 -9.313 16.378 3.543
234 HA PRO 32 HA PRO 32 -5.649 11.052 6.809
235 1HB PRO 32 1HB PRO 32 -4.958 9.522 4.662
236 2HB PRO 32 2HB PRO 32 -6.449 9.221 5.600
237 1HG PRO 32 1HG PRO 32 -6.192 10.818 3.035
238 2HG PRO 32 2HG PRO 32 -7.324 9.475 3.372
239 1HD PRO 32 1HD PRO 32 -8.039 12.085 3.650
240 2HD PRO 32 2HD PRO 32 -8.628 10.849 4.805
241 H1 NAG 300 H1 NAG 3 7.136 -14.818 3.566
242 H2 NAG 300 H2 NAG 3 6.740 -17.830 3.209
243 H3 NAG 300 H3 NAG 3 6.366 -15.501 1.288
244 H4 NAG 300 H4 NAG 3 4.370 -17.400 2.577
245 H5 NAG 300 H5 NAG 3 4.858 -14.416 3.035
246 1H6 NAG 300 1H6 NAG 3 2.464 -15.055 3.241
247 2H6 NAG 300 2H6 NAG 3 3.180 -14.591 4.789
248 1H8 NAG 300 1H8 NAG 3 10.622 -17.698 1.047
249 2H8 NAG 300 2H8 NAG 3 11.164 -16.716 2.429
250 3H8 NAG 300 3H8 NAG 3 11.334 -18.484 2.473
251 HN2 NAG 300 HN2 NAG 3 8.659 -16.246 1.600
252 HO4 NAG 300 HO4 NAG 3 2.870 -16.026 1.507
253 HO3 NAG 300 HO3 NAG 3 5.918 -18.322 1.018
254 HO6 NAG 300 HO6 NAG 3 2.766 -17.240 3.854
255 1HN NH2 33 1HN NH2 33 -3.279 10.878 6.264
256 2HN NH2 33 2HN NH2 33 -2.543 12.173 5.343
Start of MODEL 3
1 1H CYS 1 1H CYS 1 4.729 -15.884 5.987
2 2H CYS 1 2H CYS 1 3.373 -15.802 6.922
3 3H CYS 1 3H CYS 1 3.819 -14.509 6.003
4 HA CYS 1 HA CYS 1 5.813 -14.224 7.271
5 1HB CYS 1 1HB CYS 1 3.102 -13.984 8.457
6 2HB CYS 1 2HB CYS 1 4.452 -13.882 9.581
7 H SER 2 H SER 2 7.256 -15.737 7.445
8 HA SER 2 HA SER 2 7.318 -17.403 9.852
9 1HB SER 2 1HB SER 2 7.893 -19.446 8.524
10 2HB SER 2 2HB SER 2 6.210 -18.927 8.327
11 HG SER 2 HG SER 2 7.178 -19.431 6.338
12 H ASN 3 H ASN 3 8.880 -16.615 6.707
13 HA ASN 3 HA ASN 3 11.593 -16.507 7.692
14 1HB ASN 3 1HB ASN 3 10.216 -15.025 5.406
15 2HB ASN 3 2HB ASN 3 11.962 -15.106 5.675
16 1HD2 ASN 3 1HD2 ASN 3 9.918 -16.133 3.560
17 H LEU 4 H LEU 4 8.850 -14.242 7.474
18 HA LEU 4 HA LEU 4 8.474 -12.140 8.145
19 1HB LEU 4 1HB LEU 4 10.695 -12.487 10.200
20 2HB LEU 4 2HB LEU 4 9.375 -11.317 10.219
21 HG LEU 4 HG LEU 4 9.099 -14.346 10.502
22 1HD1 LEU 4 1HD1 LEU 4 10.083 -13.223 12.463
23 2HD1 LEU 4 2HD1 LEU 4 8.715 -12.089 12.508
24 3HD1 LEU 4 3HD1 LEU 4 8.450 -13.821 12.808
25 1HD2 LEU 4 1HD2 LEU 4 6.976 -12.154 10.590
26 2HD2 LEU 4 2HD2 LEU 4 7.100 -13.459 9.389
27 3HD2 LEU 4 3HD2 LEU 4 6.724 -13.846 11.070
28 H SER 5 H SER 5 9.696 -12.322 5.897
29 HA SER 5 HA SER 5 11.404 -9.965 5.681
30 1HB SER 5 1HB SER 5 13.071 -11.700 6.230
31 2HB SER 5 2HB SER 5 12.455 -12.736 4.929
32 HG SER 5 HG SER 5 13.031 -11.074 3.465
33 H THR 6 H THR 6 10.444 -12.968 3.918
34 HA THR 6 HA THR 6 9.849 -11.652 1.435
35 HB THR 6 HB THR 6 8.698 -13.790 0.901
36 HG1 THR 6 HG1 THR 6 7.947 -14.333 2.961
37 1HG2 THR 6 1HG2 THR 6 11.183 -13.515 0.626
38 2HG2 THR 6 2HG2 THR 6 11.402 -14.275 2.222
39 3HG2 THR 6 3HG2 THR 6 10.659 -15.182 0.892
40 H CYS 7 H CYS 7 7.899 -12.693 4.244
41 HA CYS 7 HA CYS 7 5.351 -11.827 3.350
42 1HB CYS 7 1HB CYS 7 5.740 -13.348 5.206
43 2HB CYS 7 2HB CYS 7 6.537 -12.068 6.134
44 H VAL 8 H VAL 8 7.894 -10.183 5.297
45 HA VAL 8 HA VAL 8 6.512 -7.786 5.812
46 HB VAL 8 HB VAL 8 9.488 -8.376 5.570
47 1HG1 VAL 8 1HG2 VAL 8 8.069 -5.931 6.709
48 2HG1 VAL 8 2HG2 VAL 8 9.780 -6.327 6.977
49 3HG1 VAL 8 3HG2 VAL 8 9.212 -5.969 5.345
50 1HG2 VAL 8 1HG1 VAL 8 8.281 -9.658 7.341
51 2HG2 VAL 8 2HG1 VAL 8 9.388 -8.464 8.032
52 3HG2 VAL 8 3HG1 VAL 8 7.644 -8.137 7.991
53 H LEU 9 H LEU 9 8.698 -8.646 3.089
54 HA LEU 9 HA LEU 9 8.614 -6.224 1.675
55 1HB LEU 9 1HB LEU 9 9.997 -8.404 1.364
56 2HB LEU 9 2HB LEU 9 8.677 -8.943 0.328
57 HG LEU 9 HG LEU 9 10.409 -6.450 0.000
58 1HD1 LEU 9 1HD1 LEU 9 11.580 -8.588 -0.417
59 2HD1 LEU 9 2HD1 LEU 9 10.319 -9.055 -1.579
60 3HD1 LEU 9 3HD1 LEU 9 11.373 -7.664 -1.915
61 1HD2 LEU 9 1HD2 LEU 9 8.153 -7.518 -1.751
62 2HD2 LEU 9 2HD2 LEU 9 8.317 -5.893 -1.034
63 3HD2 LEU 9 3HD2 LEU 9 9.392 -6.388 -2.335
64 H GLY 10 H GLY 10 6.483 -9.126 1.460
65 1HA GLY 10 1HA GLY 10 4.692 -8.305 -0.515
66 2HA GLY 10 2HA GLY 10 4.322 -9.395 0.830
67 H LYS 11 H LYS 11 4.520 -7.728 3.044
68 HA LYS 11 HA LYS 11 1.963 -6.489 3.022
69 1HB LYS 11 1HB LYS 11 4.265 -6.420 5.004
70 2HB LYS 11 2HB LYS 11 2.698 -5.673 5.324
71 1HG LYS 11 1HG LYS 11 3.002 -8.632 4.652
72 2HG LYS 11 2HG LYS 11 3.052 -7.980 6.295
73 1HD LYS 11 1HD LYS 11 0.774 -7.034 5.987
74 2HD LYS 11 2HD LYS 11 0.703 -7.749 4.362
75 1HE LYS 11 1HE LYS 11 1.015 -10.006 5.336
76 2HE LYS 11 2HE LYS 11 1.062 -9.296 6.963
77 1HZ LYS 11 1HZ LYS 11 -1.197 -9.155 5.097
78 2HZ LYS 11 2HZ LYS 11 -1.092 -10.133 6.422
79 3HZ LYS 11 3HZ LYS 11 -1.154 -8.495 6.608
80 H LEU 12 H LEU 12 5.266 -4.986 3.186
81 HA LEU 12 HA LEU 12 4.185 -2.342 3.171
82 1HB LEU 12 1HB LEU 12 6.416 -1.537 2.997
83 2HB LEU 12 2HB LEU 12 6.299 -2.863 4.147
84 HG LEU 12 HG LEU 12 7.120 -4.331 2.088
85 1HD1 LEU 12 1HD1 LEU 12 8.286 -1.585 1.428
86 2HD1 LEU 12 2HD1 LEU 12 8.767 -3.127 0.694
87 3HD1 LEU 12 3HD1 LEU 12 7.156 -2.474 0.395
88 1HD2 LEU 12 1HD2 LEU 12 8.297 -4.040 4.235
89 2HD2 LEU 12 2HD2 LEU 12 9.430 -4.011 2.874
90 3HD2 LEU 12 3HD2 LEU 12 8.958 -2.493 3.670
91 H SER 13 H SER 13 5.079 -4.553 0.543
92 HA SER 13 HA SER 13 5.020 -2.603 -1.564
93 1HB SER 13 1HB SER 13 6.123 -4.770 -1.816
94 2HB SER 13 2HB SER 13 4.573 -5.617 -1.613
95 HG SER 13 HG SER 13 5.214 -3.749 -3.653
96 H GLN 14 H GLN 14 2.589 -4.885 -0.221
97 HA GLN 14 HA GLN 14 0.422 -4.224 -1.911
98 1HB GLN 14 1HB GLN 14 0.514 -6.218 -0.505
99 2HB GLN 14 2HB GLN 14 0.486 -5.227 0.964
100 1HG GLN 14 1HG GLN 14 -1.786 -4.419 0.383
101 2HG GLN 14 2HG GLN 14 -1.724 -5.334 -1.134
102 1HE2 GLN 14 2HE2 GLN 14 -1.281 -5.821 2.429
103 2HE2 GLN 14 1HE2 GLN 14 -2.096 -7.369 2.488
104 H GLU 15 H GLU 15 1.430 -2.898 1.270
105 HA GLU 15 HA GLU 15 -0.674 -1.057 1.646
106 1HB GLU 15 1HB GLU 15 0.820 -1.758 3.418
107 2HB GLU 15 2HB GLU 15 2.218 -1.047 2.594
108 1HG GLU 15 1HG GLU 15 1.319 1.202 2.883
109 2HG GLU 15 2HG GLU 15 -0.191 0.553 3.548
110 H LEU 16 H LEU 16 2.603 -0.581 0.212
111 HA LEU 16 HA LEU 16 2.360 2.148 -0.339
112 1HB LEU 16 1HB LEU 16 4.483 0.974 -0.303
113 2HB LEU 16 2HB LEU 16 3.992 -0.053 -1.657
114 HG LEU 16 HG LEU 16 3.966 1.899 -3.162
115 1HD1 LEU 16 1HD1 LEU 16 4.955 3.444 -0.718
116 2HD1 LEU 16 2HD1 LEU 16 4.986 4.049 -2.387
117 3HD1 LEU 16 3HD1 LEU 16 3.438 3.729 -1.601
118 1HD2 LEU 16 1HD2 LEU 16 6.006 0.541 -2.902
119 2HD2 LEU 16 2HD2 LEU 16 6.401 2.237 -3.235
120 3HD2 LEU 16 3HD2 LEU 16 6.553 1.600 -1.583
121 H HIS 17 H HIS 17 1.663 -0.705 -2.423
122 HA HIS 17 HA HIS 17 0.876 0.684 -4.754
123 1HB HIS 17 1HB HIS 17 1.373 -1.694 -4.737
124 2HB HIS 17 2HB HIS 17 0.019 -2.017 -3.646
125 HD1 HIS 17 HD1 HIS 17 -2.385 -1.994 -4.631
126 HD2 HIS 17 HD2 HIS 17 0.610 -1.175 -7.447
127 HE1 HIS 17 HE1 HIS 17 -3.457 -2.105 -6.934
128 H LYS 18 H LYS 18 -1.071 -0.508 -1.974
129 HA LYS 18 HA LYS 18 -3.607 0.157 -2.922
130 1HB LYS 18 1HB LYS 18 -3.216 -1.304 -1.026
131 2HB LYS 18 2HB LYS 18 -2.543 0.038 -0.081
132 1HG LYS 18 1HG LYS 18 -4.731 1.167 -0.066
133 2HG LYS 18 2HG LYS 18 -5.391 -0.055 -1.160
134 1HD LYS 18 1HD LYS 18 -6.092 -0.426 1.170
135 2HD LYS 18 2HD LYS 18 -5.172 -1.790 0.524
136 1HE LYS 18 1HE LYS 18 -4.578 -1.236 2.871
137 2HE LYS 18 2HE LYS 18 -3.189 -1.132 1.786
138 1HZ LYS 18 1HZ LYS 18 -4.796 1.137 2.734
139 2HZ LYS 18 2HZ LYS 18 -3.303 0.709 3.291
140 3HZ LYS 18 3HZ LYS 18 -3.482 1.238 1.741
141 H LEU 19 H LEU 19 -1.488 2.144 -0.741
142 HA LEU 19 HA LEU 19 -3.333 4.340 -0.765
143 1HB LEU 19 1HB LEU 19 -1.743 5.536 0.543
144 2HB LEU 19 2HB LEU 19 -1.913 3.876 1.098
145 HG LEU 19 HG LEU 19 0.250 3.470 -0.404
146 1HD1 LEU 19 1HD1 LEU 19 0.511 6.420 0.343
147 2HD1 LEU 19 2HD1 LEU 19 1.809 5.389 -0.287
148 3HD1 LEU 19 3HD1 LEU 19 0.433 5.795 -1.313
149 1HD2 LEU 19 1HD2 LEU 19 0.069 3.115 2.032
150 2HD2 LEU 19 2HD2 LEU 19 1.620 3.854 1.601
151 3HD2 LEU 19 3HD2 LEU 19 0.328 4.849 2.307
152 H GLN 20 H GLN 20 -0.636 3.464 -2.896
153 HA GLN 20 HA GLN 20 -0.284 6.060 -4.037
154 1HB GLN 20 1HB GLN 20 1.416 4.339 -4.237
155 2HB GLN 20 2HB GLN 20 0.307 3.276 -5.116
156 1HG GLN 20 1HG GLN 20 1.875 4.314 -6.638
157 2HG GLN 20 2HG GLN 20 0.249 4.881 -7.005
158 1HE2 GLN 20 2HE2 GLN 20 -0.313 7.103 -6.494
159 2HE2 GLN 20 1HE2 GLN 20 0.932 8.300 -6.202
160 H THR 21 H THR 21 -2.121 3.162 -5.160
161 HA THR 21 HA THR 21 -3.315 4.482 -7.404
162 HB THR 21 HB THR 21 -4.783 2.468 -7.451
163 HG1 THR 21 HG1 THR 21 -4.857 2.075 -5.210
164 1HG2 THR 21 1HG2 THR 21 -2.572 2.460 -8.562
165 2HG2 THR 21 2HG2 THR 21 -1.820 1.841 -7.076
166 3HG2 THR 21 3HG2 THR 21 -3.016 0.859 -7.944
167 H TYR 22 H TYR 22 -4.416 3.828 -4.070
168 HA TYR 22 HA TYR 22 -6.748 5.656 -4.436
169 1HB TYR 22 1HB TYR 22 -7.387 3.308 -4.788
170 2HB TYR 22 2HB TYR 22 -6.792 2.895 -3.190
171 HD1 TYR 22 HD1 TYR 22 -8.172 3.337 -1.221
172 HD2 TYR 22 HD2 TYR 22 -9.342 4.841 -5.092
173 HE1 TYR 22 HE1 TYR 22 -10.408 3.892 -0.330
174 HE2 TYR 22 HE2 TYR 22 -11.609 5.319 -4.214
175 HH TYR 22 HH TYR 22 -12.512 4.687 -0.799
176 HA PRO 23 HA PRO 23 -4.389 6.658 -0.539
177 1HB PRO 23 1HB PRO 23 -4.501 9.385 -0.748
178 2HB PRO 23 2HB PRO 23 -3.250 8.394 -1.545
179 1HG PRO 23 1HG PRO 23 -5.781 9.503 -2.752
180 2HG PRO 23 2HG PRO 23 -4.135 9.531 -3.438
181 1HD PRO 23 1HD PRO 23 -5.997 7.680 -4.163
182 2HD PRO 23 2HD PRO 23 -4.264 7.256 -4.069
183 H ARG 24 H ARG 24 -7.337 8.049 -2.012
184 HA ARG 24 HA ARG 24 -8.914 7.439 0.353
185 1HB ARG 24 1HB ARG 24 -9.721 9.722 0.706
186 2HB ARG 24 2HB ARG 24 -7.974 9.645 0.929
187 1HG ARG 24 1HG ARG 24 -7.637 10.578 -1.365
188 2HG ARG 24 2HG ARG 24 -9.394 10.635 -1.588
189 1HD ARG 24 1HD ARG 24 -8.600 12.823 -1.023
190 2HD ARG 24 2HD ARG 24 -9.593 12.224 0.302
191 HE ARG 24 HE ARG 24 -6.643 12.623 0.210
192 1HH1 ARG 24 1HH2 ARG 24 -9.422 11.599 2.211
193 2HH1 ARG 24 2HH2 ARG 24 -8.521 11.750 3.699
194 1HH2 ARG 24 1HH1 ARG 24 -5.526 12.786 2.166
195 2HH2 ARG 24 2HH1 ARG 24 -6.322 12.409 3.677
196 H THR 25 H THR 25 -11.241 8.705 -0.293
197 HA THR 25 HA THR 25 -12.192 7.348 -2.641
198 HB THR 25 HB THR 25 -13.459 9.548 -0.959
199 HG1 THR 25 HG1 THR 25 -12.939 7.654 0.190
200 1HG2 THR 25 1HG2 THR 25 -14.671 7.542 -2.921
201 2HG2 THR 25 2HG2 THR 25 -15.587 8.628 -1.856
202 3HG2 THR 25 3HG2 THR 25 -14.588 9.303 -3.154
203 H ASP 26 H ASP 26 -11.460 7.923 -4.590
204 HA ASP 26 HA ASP 26 -11.538 10.779 -5.438
205 1HB ASP 26 1HB ASP 26 -9.318 8.766 -6.005
206 2HB ASP 26 2HB ASP 26 -9.430 10.401 -6.672
207 H VAL 27 H VAL 27 -11.726 11.042 -7.731
208 HA VAL 27 HA VAL 27 -12.406 8.776 -9.414
209 HB VAL 27 HB VAL 27 -14.503 9.099 -8.165
210 1HG1 VAL 27 1HG1 VAL 27 -14.303 11.515 -7.615
211 2HG1 VAL 27 2HG1 VAL 27 -14.580 11.920 -9.323
212 3HG1 VAL 27 3HG1 VAL 27 -15.849 11.122 -8.379
213 1HG2 VAL 27 1HG2 VAL 27 -14.547 8.380 -10.549
214 2HG2 VAL 27 2HG2 VAL 27 -16.015 9.229 -10.031
215 3HG2 VAL 27 3HG2 VAL 27 -14.818 10.071 -11.030
216 H GLY 28 H GLY 28 -12.396 9.329 -11.622
217 1HA GLY 28 1HA GLY 28 -12.211 12.019 -12.609
218 2HA GLY 28 2HA GLY 28 -10.596 11.302 -12.426
219 H ALA 29 H ALA 29 -13.845 10.694 -13.812
220 HA ALA 29 HA ALA 29 -12.682 9.701 -16.305
221 1HB ALA 29 1HB ALA 29 -12.748 7.641 -14.932
222 2HB ALA 29 2HB ALA 29 -14.464 7.929 -14.574
223 3HB ALA 29 3HB ALA 29 -13.949 7.571 -16.235
224 H GLY 30 H GLY 30 -14.304 9.467 -17.977
225 1HA GLY 30 1HA GLY 30 -16.258 11.543 -18.030
226 2HA GLY 30 2HA GLY 30 -16.061 10.231 -19.206
227 H THR 31 H THR 31 -16.515 7.969 -17.782
228 HA THR 31 HA THR 31 -19.155 8.220 -16.412
229 HB THR 31 HB THR 31 -18.454 6.203 -18.575
230 HG1 THR 31 HG1 THR 31 -20.252 8.391 -18.515
231 1HG2 THR 31 1HG2 THR 31 -21.013 6.674 -16.968
232 2HG2 THR 31 2HG2 THR 31 -20.837 5.552 -18.332
233 3HG2 THR 31 3HG2 THR 31 -19.955 5.254 -16.826
234 HA PRO 32 HA PRO 32 -15.998 6.104 -13.795
235 1HB PRO 32 1HB PRO 32 -18.145 6.876 -11.809
236 2HB PRO 32 2HB PRO 32 -16.369 6.902 -11.597
237 1HG PRO 32 1HG PRO 32 -17.689 9.206 -12.121
238 2HG PRO 32 2HG PRO 32 -16.184 8.841 -13.019
239 1HD PRO 32 1HD PRO 32 -19.043 8.433 -13.937
240 2HD PRO 32 2HD PRO 32 -17.671 9.178 -14.807
241 H1 NAG 300 H1 NAG 3 11.348 -18.683 3.042
242 H2 NAG 300 H2 NAG 3 8.317 -18.272 3.031
243 H3 NAG 300 H3 NAG 3 9.930 -20.708 2.166
244 H4 NAG 300 H4 NAG 3 8.269 -18.744 0.550
245 H5 NAG 300 H5 NAG 3 11.289 -19.216 0.686
246 1H6 NAG 300 1H6 NAG 3 9.660 -17.224 -0.955
247 2H6 NAG 300 2H6 NAG 3 10.527 -18.638 -1.602
248 1H8 NAG 300 1H8 NAG 3 9.981 -19.938 7.080
249 2H8 NAG 300 2H8 NAG 3 8.841 -21.200 6.552
250 3H8 NAG 300 3H8 NAG 3 10.573 -21.568 6.697
251 HN2 NAG 300 HN2 NAG 3 8.424 -19.189 5.092
252 HO4 NAG 300 HO4 NAG 3 9.880 -21.005 -0.176
253 HO3 NAG 300 HO3 NAG 3 7.854 -21.152 3.115
254 HO6 NAG 300 HO6 NAG 3 12.454 -17.714 -0.769
255 1HN NH2 33 1HN NH2 33 -17.399 2.962 -12.858
256 2HN NH2 33 2HN NH2 33 -16.014 4.030 -12.775
Start of MODEL 4
1 1H CYS 1 1H CYS 1 2.346 -16.309 7.587
2 2H CYS 1 2H CYS 1 2.490 -15.631 6.089
3 3H CYS 1 3H CYS 1 3.349 -16.987 6.465
4 HA CYS 1 HA CYS 1 4.768 -15.124 6.469
5 1HB CYS 1 1HB CYS 1 2.948 -13.496 6.974
6 2HB CYS 1 2HB CYS 1 2.934 -14.061 8.643
7 H SER 2 H SER 2 6.605 -15.819 7.448
8 HA SER 2 HA SER 2 6.592 -16.760 10.254
9 1HB SER 2 1HB SER 2 7.394 -18.509 7.882
10 2HB SER 2 2HB SER 2 7.726 -18.875 9.588
11 HG SER 2 HG SER 2 5.828 -19.877 8.817
12 H ASN 3 H ASN 3 8.644 -16.753 7.312
13 HA ASN 3 HA ASN 3 11.089 -16.372 8.677
14 1HB ASN 3 1HB ASN 3 11.960 -15.779 6.382
15 2HB ASN 3 2HB ASN 3 11.152 -17.339 6.537
16 1HD2 ASN 3 1HD2 ASN 3 9.317 -17.776 5.421
17 H LEU 4 H LEU 4 8.706 -13.997 7.603
18 HA LEU 4 HA LEU 4 8.614 -11.756 7.691
19 1HB LEU 4 1HB LEU 4 10.565 -12.167 9.986
20 2HB LEU 4 2HB LEU 4 9.816 -10.619 9.610
21 HG LEU 4 HG LEU 4 8.081 -13.065 10.067
22 1HD1 LEU 4 1HD1 LEU 4 9.188 -11.183 12.190
23 2HD1 LEU 4 2HD1 LEU 4 7.917 -12.400 12.440
24 3HD1 LEU 4 3HD1 LEU 4 9.560 -12.913 12.020
25 1HD2 LEU 4 1HD2 LEU 4 7.057 -10.969 9.118
26 2HD2 LEU 4 2HD2 LEU 4 6.435 -11.367 10.728
27 3HD2 LEU 4 3HD2 LEU 4 7.638 -10.077 10.534
28 H SER 5 H SER 5 9.774 -12.321 5.552
29 HA SER 5 HA SER 5 11.846 -10.280 5.160
30 1HB SER 5 1HB SER 5 13.207 -12.255 5.672
31 2HB SER 5 2HB SER 5 12.322 -13.223 4.480
32 HG SER 5 HG SER 5 13.838 -10.883 3.947
33 H THR 6 H THR 6 10.476 -13.106 3.386
34 HA THR 6 HA THR 6 9.750 -11.562 1.050
35 HB THR 6 HB THR 6 8.871 -14.293 2.046
36 HG1 THR 6 HG1 THR 6 10.862 -13.480 0.193
37 1HG2 THR 6 1HG2 THR 6 8.616 -12.999 -0.702
38 2HG2 THR 6 2HG2 THR 6 8.368 -14.725 -0.373
39 3HG2 THR 6 3HG2 THR 6 7.285 -13.528 0.358
40 H CYS 7 H CYS 7 8.107 -12.725 4.003
41 HA CYS 7 HA CYS 7 5.485 -11.780 3.511
42 1HB CYS 7 1HB CYS 7 5.918 -13.279 5.312
43 2HB CYS 7 2HB CYS 7 7.126 -12.205 6.019
44 H VAL 8 H VAL 8 8.315 -10.158 5.060
45 HA VAL 8 HA VAL 8 6.984 -7.731 5.676
46 HB VAL 8 HB VAL 8 9.913 -8.448 5.307
47 1HG1 VAL 8 1HG1 VAL 8 8.707 -5.825 6.285
48 2HG1 VAL 8 2HG1 VAL 8 10.398 -6.313 6.525
49 3HG1 VAL 8 3HG1 VAL 8 9.788 -6.052 4.889
50 1HG2 VAL 8 1HG2 VAL 8 8.654 -9.469 7.228
51 2HG2 VAL 8 2HG2 VAL 8 9.935 -8.366 7.755
52 3HG2 VAL 8 3HG2 VAL 8 8.239 -7.842 7.788
53 H LEU 9 H LEU 9 9.105 -8.561 2.880
54 HA LEU 9 HA LEU 9 8.896 -6.098 1.518
55 1HB LEU 9 1HB LEU 9 9.337 -8.943 0.560
56 2HB LEU 9 2HB LEU 9 9.441 -7.553 -0.523
57 HG LEU 9 HG LEU 9 11.143 -7.753 1.997
58 1HD1 LEU 9 1HD1 LEU 9 11.605 -9.708 0.552
59 2HD1 LEU 9 2HD1 LEU 9 11.835 -8.630 -0.840
60 3HD1 LEU 9 3HD1 LEU 9 12.957 -8.564 0.536
61 1HD2 LEU 9 1HD2 LEU 9 11.412 -6.117 -0.566
62 2HD2 LEU 9 2HD2 LEU 9 10.976 -5.482 1.034
63 3HD2 LEU 9 3HD2 LEU 9 12.585 -6.157 0.765
64 H GLY 10 H GLY 10 6.834 -9.027 1.325
65 1HA GLY 10 1HA GLY 10 5.091 -8.172 -0.734
66 2HA GLY 10 2HA GLY 10 4.734 -9.356 0.534
67 H LYS 11 H LYS 11 4.927 -7.785 2.840
68 HA LYS 11 HA LYS 11 2.333 -6.683 2.922
69 1HB LYS 11 1HB LYS 11 3.452 -7.736 4.857
70 2HB LYS 11 2HB LYS 11 4.652 -6.453 4.879
71 1HG LYS 11 1HG LYS 11 2.976 -6.129 6.619
72 2HG LYS 11 2HG LYS 11 2.999 -4.790 5.479
73 1HD LYS 11 1HD LYS 11 0.752 -5.305 6.127
74 2HD LYS 11 2HD LYS 11 0.917 -5.638 4.408
75 1HE LYS 11 1HE LYS 11 1.189 -7.837 6.511
76 2HE LYS 11 2HE LYS 11 -0.391 -7.295 5.925
77 1HZ LYS 11 1HZ LYS 11 0.252 -7.843 3.720
78 2HZ LYS 11 2HZ LYS 11 1.718 -8.397 4.227
79 3HZ LYS 11 3HZ LYS 11 0.341 -9.158 4.710
80 H LEU 12 H LEU 12 5.555 -5.021 3.082
81 HA LEU 12 HA LEU 12 4.373 -2.424 3.165
82 1HB LEU 12 1HB LEU 12 6.571 -1.533 2.965
83 2HB LEU 12 2HB LEU 12 6.528 -2.892 4.081
84 HG LEU 12 HG LEU 12 7.336 -4.263 1.927
85 1HD1 LEU 12 1HD1 LEU 12 7.311 -2.289 0.358
86 2HD1 LEU 12 2HD1 LEU 12 8.460 -1.465 1.422
87 3HD1 LEU 12 3HD1 LEU 12 8.932 -2.953 0.579
88 1HD2 LEU 12 1HD2 LEU 12 8.532 -4.077 4.075
89 2HD2 LEU 12 2HD2 LEU 12 9.653 -3.933 2.711
90 3HD2 LEU 12 3HD2 LEU 12 9.149 -2.481 3.604
91 H SER 13 H SER 13 5.420 -4.491 0.441
92 HA SER 13 HA SER 13 5.210 -2.512 -1.597
93 1HB SER 13 1HB SER 13 6.332 -4.647 -1.960
94 2HB SER 13 2HB SER 13 4.806 -5.530 -1.723
95 HG SER 13 HG SER 13 5.336 -3.595 -3.732
96 H GLN 14 H GLN 14 2.832 -4.881 -0.290
97 HA GLN 14 HA GLN 14 0.647 -4.137 -1.922
98 1HB GLN 14 1HB GLN 14 0.769 -6.215 -0.625
99 2HB GLN 14 2HB GLN 14 0.656 -5.303 0.892
100 1HG GLN 14 1HG GLN 14 -1.582 -4.462 0.226
101 2HG GLN 14 2HG GLN 14 -1.458 -5.329 -1.314
102 1HE2 GLN 14 2HE2 GLN 14 -1.081 -7.775 -1.111
103 2HE2 GLN 14 1HE2 GLN 14 -1.947 -8.598 0.168
104 H GLU 15 H GLU 15 1.636 -2.992 1.354
105 HA GLU 15 HA GLU 15 -0.490 -1.263 1.883
106 1HB GLU 15 1HB GLU 15 1.168 -1.910 3.532
107 2HB GLU 15 2HB GLU 15 2.449 -1.062 2.650
108 1HG GLU 15 1HG GLU 15 1.375 1.100 3.070
109 2HG GLU 15 2HG GLU 15 -0.006 0.295 3.836
110 H LEU 16 H LEU 16 2.677 -0.445 0.370
111 HA LEU 16 HA LEU 16 2.105 2.256 -0.182
112 1HB LEU 16 1HB LEU 16 3.973 0.255 -1.496
113 2HB LEU 16 2HB LEU 16 3.974 1.973 -1.905
114 HG LEU 16 HG LEU 16 4.408 0.990 0.949
115 1HD1 LEU 16 1HD1 LEU 16 6.148 0.034 -0.531
116 2HD1 LEU 16 2HD1 LEU 16 6.490 1.653 -1.176
117 3HD1 LEU 16 3HD1 LEU 16 6.816 1.284 0.532
118 1HD2 LEU 16 1HD2 LEU 16 5.024 3.630 -0.449
119 2HD2 LEU 16 2HD2 LEU 16 3.769 3.367 0.780
120 3HD2 LEU 16 3HD2 LEU 16 5.473 3.213 1.216
121 H HIS 17 H HIS 17 1.575 -0.673 -2.205
122 HA HIS 17 HA HIS 17 0.723 0.668 -4.546
123 1HB HIS 17 1HB HIS 17 1.347 -1.690 -4.502
124 2HB HIS 17 2HB HIS 17 -0.033 -2.073 -3.467
125 HD1 HIS 17 HD1 HIS 17 0.908 -1.334 -7.025
126 HD2 HIS 17 HD2 HIS 17 -2.576 -2.003 -4.795
127 HE1 HIS 17 HE1 HIS 17 -0.985 -1.721 -8.675
128 H LYS 18 H LYS 18 -1.197 -0.640 -1.791
129 HA LYS 18 HA LYS 18 -3.744 -0.051 -2.799
130 1HB LYS 18 1HB LYS 18 -2.693 -0.282 0.041
131 2HB LYS 18 2HB LYS 18 -4.413 -0.130 -0.330
132 1HG LYS 18 1HG LYS 18 -2.741 -2.336 -1.589
133 2HG LYS 18 2HG LYS 18 -3.420 -2.485 0.041
134 1HD LYS 18 1HD LYS 18 -5.692 -2.191 -0.851
135 2HD LYS 18 2HD LYS 18 -5.042 -1.909 -2.475
136 1HE LYS 18 1HE LYS 18 -5.820 -4.200 -2.330
137 2HE LYS 18 2HE LYS 18 -4.052 -4.195 -2.474
138 1HZ LYS 18 1HZ LYS 18 -5.562 -4.518 0.021
139 2HZ LYS 18 2HZ LYS 18 -4.830 -5.727 -0.828
140 3HZ LYS 18 3HZ LYS 18 -3.919 -4.549 -0.125
141 H LEU 19 H LEU 19 -1.726 1.966 -0.550
142 HA LEU 19 HA LEU 19 -3.696 4.060 -0.538
143 1HB LEU 19 1HB LEU 19 -2.154 5.313 0.808
144 2HB LEU 19 2HB LEU 19 -2.262 3.638 1.334
145 HG LEU 19 HG LEU 19 -0.081 3.354 -0.188
146 1HD1 LEU 19 1HD1 LEU 19 -0.007 5.735 -0.988
147 2HD1 LEU 19 2HD1 LEU 19 0.090 6.272 0.697
148 3HD1 LEU 19 3HD1 LEU 19 1.403 5.314 -0.013
149 1HD2 LEU 19 1HD2 LEU 19 -0.246 2.889 2.232
150 2HD2 LEU 19 2HD2 LEU 19 1.271 3.716 1.840
151 3HD2 LEU 19 3HD2 LEU 19 -0.068 4.621 2.580
152 H GLN 20 H GLN 20 -0.874 3.448 -2.616
153 HA GLN 20 HA GLN 20 -0.789 6.081 -3.738
154 1HB GLN 20 1HB GLN 20 1.108 4.585 -3.905
155 2HB GLN 20 2HB GLN 20 0.157 3.386 -4.793
156 1HG GLN 20 1HG GLN 20 1.620 4.619 -6.290
157 2HG GLN 20 2HG GLN 20 -0.063 4.936 -6.704
158 1HE2 GLN 20 2HE2 GLN 20 -0.958 7.055 -6.257
159 2HE2 GLN 20 1HE2 GLN 20 0.087 8.427 -5.953
160 H THR 21 H THR 21 -1.993 3.002 -5.148
161 HA THR 21 HA THR 21 -4.028 4.493 -6.736
162 HB THR 21 HB THR 21 -2.661 3.297 -8.191
163 HG1 THR 21 HG1 THR 21 -4.843 3.069 -8.599
164 1HG2 THR 21 1HG2 THR 21 -2.967 0.787 -6.500
165 2HG2 THR 21 2HG2 THR 21 -2.259 0.882 -8.119
166 3HG2 THR 21 3HG2 THR 21 -1.474 1.719 -6.779
167 H TYR 22 H TYR 22 -5.330 4.850 -4.868
168 HA TYR 22 HA TYR 22 -6.524 2.790 -3.359
169 1HB TYR 22 1HB TYR 22 -8.200 4.330 -2.727
170 2HB TYR 22 2HB TYR 22 -6.623 5.102 -2.698
171 HD1 TYR 22 HD1 TYR 22 -9.819 4.825 -4.632
172 HD2 TYR 22 HD2 TYR 22 -6.199 7.086 -3.998
173 HE1 TYR 22 HE1 TYR 22 -10.645 6.584 -6.164
174 HE2 TYR 22 HE2 TYR 22 -7.063 8.875 -5.476
175 HH TYR 22 HH TYR 22 -8.783 9.568 -6.840
176 HA PRO 23 HA PRO 23 -9.804 2.372 -6.881
177 1HB PRO 23 1HB PRO 23 -7.861 2.457 -9.189
178 2HB PRO 23 2HB PRO 23 -9.596 2.886 -9.172
179 1HG PRO 23 1HG PRO 23 -7.744 4.847 -9.140
180 2HG PRO 23 2HG PRO 23 -9.128 4.941 -8.006
181 1HD PRO 23 1HD PRO 23 -6.364 3.843 -7.474
182 2HD PRO 23 2HD PRO 23 -7.220 5.098 -6.561
183 H ARG 24 H ARG 24 -6.389 1.397 -7.317
184 HA ARG 24 HA ARG 24 -5.316 -0.528 -7.041
185 1HB ARG 24 1HB ARG 24 -7.385 -0.939 -5.368
186 2HB ARG 24 2HB ARG 24 -7.740 -2.233 -6.517
187 1HG ARG 24 1HG ARG 24 -5.127 -1.789 -4.995
188 2HG ARG 24 2HG ARG 24 -6.420 -2.906 -4.538
189 1HD ARG 24 1HD ARG 24 -6.072 -4.140 -6.692
190 2HD ARG 24 2HD ARG 24 -4.678 -3.086 -7.002
191 HE ARG 24 HE ARG 24 -4.720 -4.515 -4.439
192 1HH1 ARG 24 1HH2 ARG 24 -3.429 -4.498 -7.773
193 2HH1 ARG 24 2HH2 ARG 24 -2.072 -5.512 -7.349
194 1HH2 ARG 24 1HH1 ARG 24 -2.938 -5.817 -3.949
195 2HH2 ARG 24 2HH1 ARG 24 -1.798 -6.266 -5.197
196 H THR 25 H THR 25 -4.538 -1.914 -8.583
197 HA THR 25 HA THR 25 -5.815 -1.956 -11.177
198 HB THR 25 HB THR 25 -3.715 -3.078 -11.845
199 HG1 THR 25 HG1 THR 25 -3.422 -4.248 -9.893
200 1HG2 THR 25 1HG2 THR 25 -3.783 -0.604 -11.676
201 2HG2 THR 25 2HG2 THR 25 -3.206 -0.704 -9.998
202 3HG2 THR 25 3HG2 THR 25 -2.175 -1.268 -11.325
203 H ASP 26 H ASP 26 -7.586 -3.229 -9.605
204 HA ASP 26 HA ASP 26 -7.826 -5.833 -10.870
205 1HB ASP 26 1HB ASP 26 -7.731 -5.563 -7.824
206 2HB ASP 26 2HB ASP 26 -8.418 -6.945 -8.682
207 H VAL 27 H VAL 27 -9.097 -3.747 -8.231
208 HA VAL 27 HA VAL 27 -11.861 -4.370 -8.894
209 HB VAL 27 HB VAL 27 -10.655 -2.444 -6.863
210 1HG1 VAL 27 1HG1 VAL 27 -13.486 -3.547 -7.163
211 2HG1 VAL 27 2HG1 VAL 27 -12.892 -2.594 -5.789
212 3HG1 VAL 27 3HG1 VAL 27 -12.997 -1.855 -7.391
213 1HG2 VAL 27 1HG2 VAL 27 -11.682 -5.301 -6.566
214 2HG2 VAL 27 2HG2 VAL 27 -9.995 -4.771 -6.391
215 3HG2 VAL 27 3HG2 VAL 27 -11.212 -4.230 -5.230
216 H GLY 28 H GLY 28 -9.901 -1.332 -8.759
217 1HA GLY 28 1HA GLY 28 -10.029 0.584 -10.021
218 2HA GLY 28 2HA GLY 28 -11.237 -0.160 -11.080
219 H ALA 29 H ALA 29 -10.971 0.599 -7.577
220 HA ALA 29 HA ALA 29 -13.793 1.224 -7.321
221 1HB ALA 29 1HB ALA 29 -12.494 -0.023 -5.614
222 2HB ALA 29 2HB ALA 29 -11.498 1.418 -5.327
223 3HB ALA 29 3HB ALA 29 -13.232 1.440 -4.943
224 H GLY 30 H GLY 30 -14.272 3.183 -5.822
225 1HA GLY 30 1HA GLY 30 -12.810 5.670 -6.592
226 2HA GLY 30 2HA GLY 30 -14.565 5.540 -6.797
227 H THR 31 H THR 31 -11.940 5.150 -4.389
228 HA THR 31 HA THR 31 -13.563 4.813 -2.156
229 HB THR 31 HB THR 31 -10.707 5.856 -2.201
230 HG1 THR 31 HG1 THR 31 -10.266 3.648 -2.008
231 1HG2 THR 31 1HG2 THR 31 -12.332 4.446 -0.045
232 2HG2 THR 31 2HG2 THR 31 -10.589 4.779 0.016
233 3HG2 THR 31 3HG2 THR 31 -11.741 6.123 0.018
234 HA PRO 32 HA PRO 32 -13.133 9.591 -1.253
235 1HB PRO 32 1HB PRO 32 -13.321 10.517 -4.124
236 2HB PRO 32 2HB PRO 32 -12.545 11.335 -2.736
237 1HG PRO 32 1HG PRO 32 -11.018 10.000 -4.522
238 2HG PRO 32 2HG PRO 32 -10.719 9.762 -2.772
239 1HD PRO 32 1HD PRO 32 -12.328 8.003 -4.641
240 2HD PRO 32 2HD PRO 32 -11.052 7.546 -3.474
241 H1 NAG 300 H1 NAG 3 8.099 -15.693 3.679
242 H2 NAG 300 H2 NAG 3 9.165 -18.419 2.760
243 H3 NAG 300 H3 NAG 3 7.758 -16.176 1.265
244 H4 NAG 300 H4 NAG 3 6.884 -19.007 1.948
245 H5 NAG 300 H5 NAG 3 5.851 -16.333 3.018
246 1H6 NAG 300 1H6 NAG 3 5.165 -19.234 3.678
247 2H6 NAG 300 2H6 NAG 3 4.095 -18.043 2.899
248 1H8 NAG 300 1H8 NAG 3 12.640 -16.191 1.107
249 2H8 NAG 300 2H8 NAG 3 12.526 -15.250 2.614
250 3H8 NAG 300 3H8 NAG 3 13.548 -16.702 2.547
251 HN2 NAG 300 HN2 NAG 3 10.164 -15.858 1.660
252 HO4 NAG 300 HO4 NAG 3 5.540 -16.812 0.681
253 HO3 NAG 300 HO3 NAG 3 7.860 -17.733 -0.456
254 HO6 NAG 300 HO6 NAG 3 3.730 -18.254 5.157
255 1HN NH2 33 1HN NH2 33 -16.581 10.433 -1.617
256 2HN NH2 33 2HN NH2 33 -15.044 10.833 -0.880
Start of MODEL 5
1 1H CYS 1 1H CYS 1 3.224 -16.949 9.039
2 2H CYS 1 2H CYS 1 3.151 -15.439 9.698
3 3H CYS 1 3H CYS 1 2.540 -15.712 8.191
4 HA CYS 1 HA CYS 1 4.675 -16.196 7.321
5 1HB CYS 1 1HB CYS 1 4.505 -13.554 8.799
6 2HB CYS 1 2HB CYS 1 5.703 -13.961 7.557
7 H SER 2 H SER 2 6.282 -17.507 7.872
8 HA SER 2 HA SER 2 7.348 -17.614 10.591
9 1HB SER 2 1HB SER 2 6.889 -19.667 9.344
10 2HB SER 2 2HB SER 2 8.019 -19.182 8.065
11 HG SER 2 HG SER 2 8.658 -19.599 10.801
12 H ASN 3 H ASN 3 8.742 -17.139 7.297
13 HA ASN 3 HA ASN 3 11.329 -16.492 8.223
14 1HB ASN 3 1HB ASN 3 11.793 -15.823 5.925
15 2HB ASN 3 2HB ASN 3 10.959 -17.375 6.016
16 1HD2 ASN 3 1HD2 ASN 3 8.787 -17.544 5.297
17 H LEU 4 H LEU 4 8.576 -14.378 7.386
18 HA LEU 4 HA LEU 4 8.230 -12.162 7.551
19 1HB LEU 4 1HB LEU 4 10.171 -12.423 9.885
20 2HB LEU 4 2HB LEU 4 9.149 -11.018 9.590
21 HG LEU 4 HG LEU 4 7.968 -13.798 9.946
22 1HD1 LEU 4 1HD1 LEU 4 8.520 -11.699 12.080
23 2HD1 LEU 4 2HD1 LEU 4 7.575 -13.189 12.302
24 3HD1 LEU 4 3HD1 LEU 4 9.307 -13.287 11.938
25 1HD2 LEU 4 1HD2 LEU 4 6.828 -10.985 10.322
26 2HD2 LEU 4 2HD2 LEU 4 6.480 -12.049 8.948
27 3HD2 LEU 4 3HD2 LEU 4 5.954 -12.507 10.575
28 H SER 5 H SER 5 9.667 -12.584 5.465
29 HA SER 5 HA SER 5 11.542 -10.297 5.309
30 1HB SER 5 1HB SER 5 12.238 -13.144 4.430
31 2HB SER 5 2HB SER 5 13.179 -11.681 4.071
32 HG SER 5 HG SER 5 13.360 -11.393 6.356
33 H THR 6 H THR 6 10.405 -13.071 3.314
34 HA THR 6 HA THR 6 9.828 -11.506 0.976
35 HB THR 6 HB THR 6 8.787 -14.206 1.899
36 HG1 THR 6 HG1 THR 6 11.008 -13.514 0.281
37 1HG2 THR 6 1HG2 THR 6 8.905 -12.973 -0.884
38 2HG2 THR 6 2HG2 THR 6 8.515 -14.669 -0.534
39 3HG2 THR 6 3HG2 THR 6 7.435 -13.385 0.033
40 H CYS 7 H CYS 7 7.908 -12.778 3.714
41 HA CYS 7 HA CYS 7 5.353 -11.811 2.983
42 1HB CYS 7 1HB CYS 7 5.627 -13.484 4.657
43 2HB CYS 7 2HB CYS 7 6.665 -12.452 5.640
44 H VAL 8 H VAL 8 7.968 -10.294 4.954
45 HA VAL 8 HA VAL 8 6.506 -7.958 5.652
46 HB VAL 8 HB VAL 8 9.476 -8.586 5.528
47 1HG1 VAL 8 1HG2 VAL 8 8.101 -6.084 6.598
48 2HG1 VAL 8 2HG2 VAL 8 9.774 -6.555 6.964
49 3HG1 VAL 8 3HG2 VAL 8 9.321 -6.163 5.304
50 1HG2 VAL 8 1HG1 VAL 8 8.072 -9.802 7.214
51 2HG2 VAL 8 2HG1 VAL 8 9.233 -8.699 7.973
52 3HG2 VAL 8 3HG1 VAL 8 7.523 -8.243 7.852
53 H LEU 9 H LEU 9 8.939 -8.488 3.041
54 HA LEU 9 HA LEU 9 8.772 -5.931 1.856
55 1HB LEU 9 1HB LEU 9 9.414 -8.673 0.725
56 2HB LEU 9 2HB LEU 9 9.582 -7.190 -0.218
57 HG LEU 9 HG LEU 9 11.024 -7.584 2.439
58 1HD1 LEU 9 1HD1 LEU 9 11.698 -9.370 0.861
59 2HD1 LEU 9 2HD1 LEU 9 12.032 -8.147 -0.383
60 3HD1 LEU 9 3HD1 LEU 9 13.003 -8.197 1.104
61 1HD2 LEU 9 1HD2 LEU 9 11.484 -5.689 0.091
62 2HD2 LEU 9 2HD2 LEU 9 10.874 -5.233 1.695
63 3HD2 LEU 9 3HD2 LEU 9 12.524 -5.835 1.520
64 H GLY 10 H GLY 10 6.851 -8.895 1.248
65 1HA GLY 10 1HA GLY 10 5.301 -7.958 -0.924
66 2HA GLY 10 2HA GLY 10 4.855 -9.229 0.227
67 H LYS 11 H LYS 11 4.730 -7.827 2.629
68 HA LYS 11 HA LYS 11 2.109 -6.799 2.487
69 1HB LYS 11 1HB LYS 11 3.012 -7.973 4.441
70 2HB LYS 11 2HB LYS 11 4.180 -6.683 4.714
71 1HG LYS 11 1HG LYS 11 2.290 -6.534 6.260
72 2HG LYS 11 2HG LYS 11 2.422 -5.094 5.254
73 1HD LYS 11 1HD LYS 11 0.097 -5.771 5.565
74 2HD LYS 11 2HD LYS 11 0.532 -5.853 3.857
75 1HE LYS 11 1HE LYS 11 0.766 -8.310 4.013
76 2HE LYS 11 2HE LYS 11 0.469 -8.241 5.763
77 1HZ LYS 11 1HZ LYS 11 -1.419 -7.447 3.665
78 2HZ LYS 11 2HZ LYS 11 -1.472 -8.845 4.537
79 3HZ LYS 11 3HZ LYS 11 -1.704 -7.395 5.288
80 H LEU 12 H LEU 12 5.247 -5.085 3.125
81 HA LEU 12 HA LEU 12 3.987 -2.528 3.292
82 1HB LEU 12 1HB LEU 12 6.167 -1.575 3.388
83 2HB LEU 12 2HB LEU 12 6.048 -3.017 4.388
84 HG LEU 12 HG LEU 12 7.116 -4.200 2.238
85 1HD1 LEU 12 1HD2 LEU 12 7.196 -2.116 0.823
86 2HD1 LEU 12 2HD2 LEU 12 8.202 -1.348 2.060
87 3HD1 LEU 12 3HD2 LEU 12 8.805 -2.756 1.167
88 1HD2 LEU 12 1HD1 LEU 12 8.078 -4.154 4.508
89 2HD2 LEU 12 2HD1 LEU 12 9.329 -3.875 3.286
90 3HD2 LEU 12 3HD1 LEU 12 8.688 -2.511 4.226
91 H SER 13 H SER 13 5.380 -4.333 0.534
92 HA SER 13 HA SER 13 5.283 -2.195 -1.351
93 1HB SER 13 1HB SER 13 6.540 -4.249 -1.757
94 2HB SER 13 2HB SER 13 5.040 -5.205 -1.761
95 HG SER 13 HG SER 13 5.688 -3.086 -3.535
96 H GLN 14 H GLN 14 2.916 -4.748 -0.468
97 HA GLN 14 HA GLN 14 0.844 -4.031 -2.242
98 1HB GLN 14 1HB GLN 14 0.962 -6.160 -1.059
99 2HB GLN 14 2HB GLN 14 0.753 -5.346 0.501
100 1HG GLN 14 1HG GLN 14 -1.516 -4.612 -0.177
101 2HG GLN 14 2HG GLN 14 -1.277 -5.346 -1.772
102 1HE2 GLN 14 2HE2 GLN 14 -1.055 -6.206 1.741
103 2HE2 GLN 14 1HE2 GLN 14 -1.773 -7.793 1.569
104 H GLU 15 H GLU 15 1.555 -2.931 1.112
105 HA GLU 15 HA GLU 15 -0.779 -1.377 1.461
106 1HB GLU 15 1HB GLU 15 0.650 -2.117 3.309
107 2HB GLU 15 2HB GLU 15 1.991 -1.134 2.709
108 1HG GLU 15 1HG GLU 15 0.887 -0.033 4.584
109 2HG GLU 15 2HG GLU 15 0.710 0.932 3.122
110 H LEU 16 H LEU 16 2.549 -0.387 0.488
111 HA LEU 16 HA LEU 16 2.005 2.349 0.102
112 1HB LEU 16 1HB LEU 16 4.050 0.474 -1.134
113 2HB LEU 16 2HB LEU 16 4.069 2.217 -1.417
114 HG LEU 16 HG LEU 16 4.180 1.042 1.393
115 1HD1 LEU 16 1HD1 LEU 16 6.095 0.194 0.067
116 2HD1 LEU 16 2HD1 LEU 16 6.491 1.855 -0.421
117 3HD1 LEU 16 3HD1 LEU 16 6.618 1.371 1.284
118 1HD2 LEU 16 1HD2 LEU 16 4.934 3.771 0.255
119 2HD2 LEU 16 2HD2 LEU 16 3.540 3.425 1.300
120 3HD2 LEU 16 3HD2 LEU 16 5.179 3.246 1.933
121 H HIS 17 H HIS 17 1.793 -0.407 -2.190
122 HA HIS 17 HA HIS 17 1.080 1.094 -4.495
123 1HB HIS 17 1HB HIS 17 1.811 -1.207 -4.651
124 2HB HIS 17 2HB HIS 17 0.449 -1.762 -3.668
125 HD1 HIS 17 HD1 HIS 17 -1.865 -1.985 -4.782
126 HD2 HIS 17 HD2 HIS 17 1.076 -0.438 -7.336
127 HE1 HIS 17 HE1 HIS 17 -2.840 -1.953 -7.129
128 H LYS 18 H LYS 18 -0.925 -0.417 -1.912
129 HA LYS 18 HA LYS 18 -3.404 0.007 -3.133
130 1HB LYS 18 1HB LYS 18 -3.018 -1.562 -1.278
131 2HB LYS 18 2HB LYS 18 -2.701 -0.223 -0.179
132 1HG LYS 18 1HG LYS 18 -4.945 -1.110 0.146
133 2HG LYS 18 2HG LYS 18 -4.999 0.569 -0.373
134 1HD LYS 18 1HD LYS 18 -6.736 -0.787 -1.460
135 2HD LYS 18 2HD LYS 18 -5.637 -0.078 -2.639
136 1HE LYS 18 1HE LYS 18 -6.222 -2.402 -3.203
137 2HE LYS 18 2HE LYS 18 -4.486 -2.244 -2.922
138 1HZ LYS 18 1HZ LYS 18 -6.455 -3.251 -0.989
139 2HZ LYS 18 2HZ LYS 18 -5.406 -4.170 -1.869
140 3HZ LYS 18 3HZ LYS 18 -4.831 -3.128 -0.729
141 H LEU 19 H LEU 19 -1.748 2.031 -0.628
142 HA LEU 19 HA LEU 19 -3.821 4.008 -0.624
143 1HB LEU 19 1HB LEU 19 -2.421 5.282 0.835
144 2HB LEU 19 2HB LEU 19 -2.434 3.580 1.278
145 HG LEU 19 HG LEU 19 -0.181 3.511 -0.155
146 1HD1 LEU 19 1HD1 LEU 19 -0.240 5.934 -0.851
147 2HD1 LEU 19 2HD1 LEU 19 -0.244 6.395 0.858
148 3HD1 LEU 19 3HD1 LEU 19 1.157 5.560 0.160
149 1HD2 LEU 19 1HD2 LEU 19 -0.385 4.650 2.660
150 2HD2 LEU 19 2HD2 LEU 19 -0.395 2.930 2.221
151 3HD2 LEU 19 3HD2 LEU 19 1.059 3.901 1.947
152 H GLN 20 H GLN 20 -0.864 3.637 -2.570
153 HA GLN 20 HA GLN 20 -0.831 6.305 -3.591
154 1HB GLN 20 1HB GLN 20 1.130 4.868 -3.663
155 2HB GLN 20 2HB GLN 20 0.287 3.694 -4.687
156 1HG GLN 20 1HG GLN 20 1.820 5.028 -6.004
157 2HG GLN 20 2HG GLN 20 0.169 5.356 -6.520
158 1HE2 GLN 20 2HE2 GLN 20 -0.782 7.440 -6.005
159 2HE2 GLN 20 1HE2 GLN 20 0.226 8.799 -5.551
160 H THR 21 H THR 21 -2.066 3.212 -4.936
161 HA THR 21 HA THR 21 -3.229 4.235 -7.296
162 HB THR 21 HB THR 21 -3.958 1.784 -5.629
163 HG1 THR 21 HG1 THR 21 -1.818 1.792 -6.292
164 1HG2 THR 21 1HG2 THR 21 -4.522 2.447 -8.554
165 2HG2 THR 21 2HG2 THR 21 -4.790 0.870 -7.783
166 3HG2 THR 21 3HG2 THR 21 -5.739 2.272 -7.270
167 H TYR 22 H TYR 22 -4.609 3.619 -4.051
168 HA TYR 22 HA TYR 22 -6.496 4.206 -3.015
169 1HB TYR 22 1HB TYR 22 -5.491 6.398 -3.175
170 2HB TYR 22 2HB TYR 22 -6.227 6.677 -4.746
171 HD1 TYR 22 HD1 TYR 22 -7.479 5.502 -1.356
172 HD2 TYR 22 HD2 TYR 22 -7.921 8.278 -4.633
173 HE1 TYR 22 HE1 TYR 22 -9.360 6.594 -0.183
174 HE2 TYR 22 HE2 TYR 22 -9.744 9.415 -3.417
175 HH TYR 22 HH TYR 22 -10.854 8.344 -0.180
176 HA PRO 23 HA PRO 23 -9.167 2.763 -6.572
177 1HB PRO 23 1HB PRO 23 -9.861 0.309 -5.600
178 2HB PRO 23 2HB PRO 23 -8.332 0.612 -6.474
179 1HG PRO 23 1HG PRO 23 -8.739 0.493 -3.476
180 2HG PRO 23 2HG PRO 23 -7.487 -0.322 -4.453
181 1HD PRO 23 1HD PRO 23 -7.030 2.035 -3.158
182 2HD PRO 23 2HD PRO 23 -6.284 1.682 -4.744
183 H ARG 24 H ARG 24 -10.951 4.019 -6.300
184 HA ARG 24 HA ARG 24 -12.063 4.569 -3.733
185 1HB ARG 24 1HB ARG 24 -13.045 5.225 -6.536
186 2HB ARG 24 2HB ARG 24 -13.785 5.802 -5.032
187 1HG ARG 24 1HG ARG 24 -11.588 6.840 -4.387
188 2HG ARG 24 2HG ARG 24 -10.917 6.335 -5.944
189 1HD ARG 24 1HD ARG 24 -11.640 8.691 -6.029
190 2HD ARG 24 2HD ARG 24 -12.573 7.687 -7.144
191 HE ARG 24 HE ARG 24 -14.488 8.129 -5.988
192 1HH1 ARG 24 1HH2 ARG 24 -11.759 9.042 -3.896
193 2HH1 ARG 24 2HH2 ARG 24 -12.793 9.685 -2.643
194 1HH2 ARG 24 1HH1 ARG 24 -15.806 8.948 -4.329
195 2HH2 ARG 24 2HH1 ARG 24 -15.090 9.642 -2.896
196 H THR 25 H THR 25 -13.176 3.114 -2.598
197 HA THR 25 HA THR 25 -14.771 1.010 -3.805
198 HB THR 25 HB THR 25 -15.338 0.543 -1.397
199 HG1 THR 25 HG1 THR 25 -14.114 1.704 0.138
200 1HG2 THR 25 1HG2 THR 25 -13.398 -0.530 -2.515
201 2HG2 THR 25 2HG2 THR 25 -12.361 0.823 -2.011
202 3HG2 THR 25 3HG2 THR 25 -13.094 -0.236 -0.792
203 H ASP 26 H ASP 26 -15.543 3.766 -1.625
204 HA ASP 26 HA ASP 26 -18.399 3.617 -2.413
205 1HB ASP 26 1HB ASP 26 -16.943 4.974 -0.117
206 2HB ASP 26 2HB ASP 26 -18.683 5.081 -0.401
207 H VAL 27 H VAL 27 -19.545 5.755 -2.426
208 HA VAL 27 HA VAL 27 -18.358 7.523 -4.430
209 HB VAL 27 HB VAL 27 -21.072 7.534 -3.042
210 1HG1 VAL 27 1HG1 VAL 27 -20.052 9.097 -5.457
211 2HG1 VAL 27 2HG1 VAL 27 -21.742 9.030 -4.917
212 3HG1 VAL 27 3HG1 VAL 27 -20.520 9.783 -3.886
213 1HG2 VAL 27 1HG2 VAL 27 -20.215 6.538 -5.797
214 2HG2 VAL 27 2HG2 VAL 27 -20.754 5.523 -4.442
215 3HG2 VAL 27 3HG2 VAL 27 -21.888 6.640 -5.211
216 H GLY 28 H GLY 28 -19.610 7.775 -1.060
217 1HA GLY 28 1HA GLY 28 -18.590 10.474 -0.626
218 2HA GLY 28 2HA GLY 28 -19.296 9.366 0.561
219 H ALA 29 H ALA 29 -16.375 10.163 -1.241
220 HA ALA 29 HA ALA 29 -14.185 9.834 -0.962
221 1HB ALA 29 1HB ALA 29 -14.518 10.415 1.442
222 2HB ALA 29 2HB ALA 29 -14.681 8.682 1.810
223 3HB ALA 29 3HB ALA 29 -13.169 9.307 1.137
224 H GLY 30 H GLY 30 -12.534 8.066 -0.961
225 1HA GLY 30 1HA GLY 30 -13.645 5.658 -2.205
226 2HA GLY 30 2HA GLY 30 -11.946 6.144 -2.060
227 H THR 31 H THR 31 -14.517 5.608 0.377
228 HA THR 31 HA THR 31 -13.392 3.278 1.573
229 HB THR 31 HB THR 31 -11.621 4.736 2.328
230 HG1 THR 31 HG1 THR 31 -11.958 4.586 4.558
231 1HG2 THR 31 1HG2 THR 31 -12.707 6.955 2.064
232 2HG2 THR 31 2HG2 THR 31 -13.737 6.614 3.474
233 3HG2 THR 31 3HG2 THR 31 -11.983 6.747 3.662
234 HA PRO 32 HA PRO 32 -17.632 3.676 3.032
235 1HB PRO 32 1HB PRO 32 -17.827 1.586 4.764
236 2HB PRO 32 2HB PRO 32 -17.622 1.344 3.005
237 1HG PRO 32 1HG PRO 32 -15.451 1.340 5.125
238 2HG PRO 32 2HG PRO 32 -15.763 0.090 3.883
239 1HD PRO 32 1HD PRO 32 -13.904 2.029 3.508
240 2HD PRO 32 2HD PRO 32 -14.936 1.487 2.154
241 H1 NAG 300 H1 NAG 3 7.833 -15.324 3.539
242 H2 NAG 300 H2 NAG 3 8.357 -18.235 2.735
243 H3 NAG 300 H3 NAG 3 7.350 -15.854 1.135
244 H4 NAG 300 H4 NAG 3 5.988 -18.431 2.007
245 H5 NAG 300 H5 NAG 3 5.520 -15.549 2.914
246 1H6 NAG 300 1H6 NAG 3 4.293 -18.177 3.867
247 2H6 NAG 300 2H6 NAG 3 3.467 -16.967 2.856
248 1H8 NAG 300 1H8 NAG 3 12.102 -16.707 0.885
249 2H8 NAG 300 2H8 NAG 3 12.282 -15.824 2.420
250 3H8 NAG 300 3H8 NAG 3 12.960 -17.457 2.249
251 HN2 NAG 300 HN2 NAG 3 9.784 -15.933 1.519
252 HO4 NAG 300 HO4 NAG 3 5.314 -17.524 -0.024
253 HO3 NAG 300 HO3 NAG 3 7.791 -18.603 0.443
254 HO6 NAG 300 HO6 NAG 3 3.786 -15.466 4.540
255 1HN NH2 33 1HN NH2 33 -18.861 4.218 4.988
256 2HN NH2 33 2HN NH2 33 -18.044 4.943 6.356
Start of MODEL 6
1 1H CYS 1 1H CYS 1 2.527 -15.381 6.348
2 2H CYS 1 2H CYS 1 2.376 -15.451 7.989
3 3H CYS 1 3H CYS 1 1.816 -14.137 7.165
4 HA CYS 1 HA CYS 1 3.977 -13.543 6.480
5 1HB CYS 1 1HB CYS 1 3.041 -12.584 8.507
6 2HB CYS 1 2HB CYS 1 3.664 -13.901 9.485
7 H SER 2 H SER 2 4.984 -15.370 9.338
8 HA SER 2 HA SER 2 6.546 -16.932 9.710
9 1HB SER 2 1HB SER 2 5.228 -18.192 7.269
10 2HB SER 2 2HB SER 2 6.125 -19.047 8.542
11 HG SER 2 HG SER 2 3.873 -19.074 8.881
12 H ASN 3 H ASN 3 7.769 -14.819 8.332
13 HA ASN 3 HA ASN 3 10.093 -16.235 7.198
14 1HB ASN 3 1HB ASN 3 8.504 -14.134 5.667
15 2HB ASN 3 2HB ASN 3 10.175 -14.564 5.295
16 1HD2 ASN 3 1HD2 ASN 3 6.934 -15.277 4.680
17 H LEU 4 H LEU 4 8.561 -13.069 7.847
18 HA LEU 4 HA LEU 4 9.324 -11.082 8.526
19 1HB LEU 4 1HB LEU 4 11.583 -12.552 9.937
20 2HB LEU 4 2HB LEU 4 11.014 -10.915 10.257
21 HG LEU 4 HG LEU 4 9.369 -13.452 10.691
22 1HD1 LEU 4 1HD1 LEU 4 11.275 -13.265 12.240
23 2HD1 LEU 4 2HD1 LEU 4 10.773 -11.617 12.674
24 3HD1 LEU 4 3HD1 LEU 4 9.736 -13.002 13.079
25 1HD2 LEU 4 1HD2 LEU 4 8.808 -10.536 11.410
26 2HD2 LEU 4 2HD2 LEU 4 7.912 -11.514 10.228
27 3HD2 LEU 4 3HD2 LEU 4 7.846 -11.930 11.943
28 H SER 5 H SER 5 9.926 -11.857 5.971
29 HA SER 5 HA SER 5 12.084 -10.075 5.277
30 1HB SER 5 1HB SER 5 13.483 -12.012 5.816
31 2HB SER 5 2HB SER 5 12.477 -13.073 4.819
32 HG SER 5 HG SER 5 13.954 -10.821 3.919
33 H THR 6 H THR 6 10.660 -13.016 3.766
34 HA THR 6 HA THR 6 9.702 -11.729 1.388
35 HB THR 6 HB THR 6 8.939 -14.295 2.827
36 HG1 THR 6 HG1 THR 6 10.591 -13.778 0.591
37 1HG2 THR 6 1HG2 THR 6 8.209 -13.398 0.015
38 2HG2 THR 6 2HG2 THR 6 8.009 -15.043 0.658
39 3HG2 THR 6 3HG2 THR 6 7.083 -13.708 1.358
40 H CYS 7 H CYS 7 8.330 -12.479 4.577
41 HA CYS 7 HA CYS 7 5.675 -11.567 4.266
42 1HB CYS 7 1HB CYS 7 6.375 -12.893 6.137
43 2HB CYS 7 2HB CYS 7 7.597 -11.707 6.603
44 H VAL 8 H VAL 8 8.656 -9.834 5.333
45 HA VAL 8 HA VAL 8 7.393 -7.348 5.862
46 HB VAL 8 HB VAL 8 10.284 -8.068 5.239
47 1HG1 VAL 8 1HG2 VAL 8 9.107 -5.453 6.273
48 2HG1 VAL 8 2HG2 VAL 8 10.829 -5.883 6.334
49 3HG1 VAL 8 3HG2 VAL 8 10.032 -5.692 4.771
50 1HG2 VAL 8 1HG1 VAL 8 9.316 -9.082 7.304
51 2HG2 VAL 8 2HG1 VAL 8 10.565 -7.885 7.673
52 3HG2 VAL 8 3HG1 VAL 8 8.849 -7.467 7.865
53 H LEU 9 H LEU 9 9.196 -8.501 2.969
54 HA LEU 9 HA LEU 9 8.911 -6.172 1.391
55 1HB LEU 9 1HB LEU 9 9.203 -9.110 0.685
56 2HB LEU 9 2HB LEU 9 9.256 -7.827 -0.526
57 HG LEU 9 HG LEU 9 11.154 -7.868 1.860
58 1HD1 LEU 9 1HD1 LEU 9 11.581 -9.018 -0.929
59 2HD1 LEU 9 2HD1 LEU 9 12.818 -8.865 0.338
60 3HD1 LEU 9 3HD1 LEU 9 11.441 -9.954 0.574
61 1HD2 LEU 9 1HD2 LEU 9 11.259 -6.469 -0.850
62 2HD2 LEU 9 2HD2 LEU 9 10.974 -5.684 0.717
63 3HD2 LEU 9 3HD2 LEU 9 12.536 -6.437 0.382
64 H GLY 10 H GLY 10 6.809 -9.071 1.670
65 1HA GLY 10 1HA GLY 10 4.889 -8.377 -0.289
66 2HA GLY 10 2HA GLY 10 4.640 -9.433 1.112
67 H LYS 11 H LYS 11 5.043 -7.690 3.232
68 HA LYS 11 HA LYS 11 2.510 -6.500 3.532
69 1HB LYS 11 1HB LYS 11 3.852 -7.354 5.375
70 2HB LYS 11 2HB LYS 11 5.091 -6.132 5.086
71 1HG LYS 11 1HG LYS 11 3.347 -4.346 5.636
72 2HG LYS 11 2HG LYS 11 2.207 -5.664 5.936
73 1HD LYS 11 1HD LYS 11 2.900 -5.244 8.071
74 2HD LYS 11 2HD LYS 11 4.063 -6.502 7.642
75 1HE LYS 11 1HE LYS 11 4.525 -3.473 7.585
76 2HE LYS 11 2HE LYS 11 5.101 -4.594 8.829
77 1HZ LYS 11 1HZ LYS 11 6.406 -5.681 7.134
78 2HZ LYS 11 2HZ LYS 11 5.928 -4.559 6.021
79 3HZ LYS 11 3HZ LYS 11 6.821 -4.096 7.324
80 H LEU 12 H LEU 12 5.745 -4.884 3.148
81 HA LEU 12 HA LEU 12 4.579 -2.284 3.067
82 1HB LEU 12 1HB LEU 12 6.752 -1.438 2.589
83 2HB LEU 12 2HB LEU 12 6.805 -2.680 3.833
84 HG LEU 12 HG LEU 12 7.425 -4.264 1.769
85 1HD1 LEU 12 1HD2 LEU 12 7.258 -2.470 0.009
86 2HD1 LEU 12 2HD2 LEU 12 8.487 -1.540 0.879
87 3HD1 LEU 12 3HD2 LEU 12 8.896 -3.109 0.160
88 1HD2 LEU 12 1HD1 LEU 12 8.805 -3.855 3.777
89 2HD2 LEU 12 2HD1 LEU 12 9.797 -3.878 2.310
90 3HD2 LEU 12 3HD1 LEU 12 9.380 -2.330 3.075
91 H SER 13 H SER 13 5.378 -4.612 0.470
92 HA SER 13 HA SER 13 5.003 -2.827 -1.717
93 1HB SER 13 1HB SER 13 6.075 -5.009 -1.959
94 2HB SER 13 2HB SER 13 4.559 -5.837 -1.536
95 HG SER 13 HG SER 13 3.630 -4.856 -3.384
96 H GLN 14 H GLN 14 2.740 -5.042 -0.016
97 HA GLN 14 HA GLN 14 0.401 -4.456 -1.472
98 1HB GLN 14 1HB GLN 14 0.606 -6.367 -0.042
99 2HB GLN 14 2HB GLN 14 0.833 -5.382 1.401
100 1HG GLN 14 1HG GLN 14 -1.688 -5.298 -0.314
101 2HG GLN 14 2HG GLN 14 -1.472 -6.428 1.027
102 1HE2 GLN 14 2HE2 GLN 14 -3.271 -3.918 0.488
103 2HE2 GLN 14 1HE2 GLN 14 -3.150 -3.038 1.995
104 H GLU 15 H GLU 15 1.708 -2.945 1.528
105 HA GLU 15 HA GLU 15 -0.438 -1.196 1.990
106 1HB GLU 15 1HB GLU 15 1.279 -1.768 3.657
107 2HB GLU 15 2HB GLU 15 2.513 -0.928 2.709
108 1HG GLU 15 1HG GLU 15 1.787 0.464 4.566
109 2HG GLU 15 2HG GLU 15 1.333 1.227 3.044
110 H LEU 16 H LEU 16 2.694 -0.572 0.318
111 HA LEU 16 HA LEU 16 2.164 2.135 -0.311
112 1HB LEU 16 1HB LEU 16 3.978 0.053 -1.578
113 2HB LEU 16 2HB LEU 16 3.991 1.752 -2.060
114 HG LEU 16 HG LEU 16 4.488 0.882 0.820
115 1HD1 LEU 16 1HD1 LEU 16 6.185 -0.136 -0.674
116 2HD1 LEU 16 2HD1 LEU 16 6.517 1.459 -1.380
117 3HD1 LEU 16 3HD1 LEU 16 6.885 1.144 0.330
118 1HD2 LEU 16 1HD2 LEU 16 5.074 3.465 -0.693
119 2HD2 LEU 16 2HD2 LEU 16 3.858 3.253 0.586
120 3HD2 LEU 16 3HD2 LEU 16 5.575 3.108 0.971
121 H HIS 17 H HIS 17 1.511 -0.880 -2.158
122 HA HIS 17 HA HIS 17 0.584 0.462 -4.510
123 1HB HIS 17 1HB HIS 17 1.394 -1.844 -4.525
124 2HB HIS 17 2HB HIS 17 0.051 -2.346 -3.485
125 HD1 HIS 17 HD1 HIS 17 0.117 -0.218 -6.705
126 HD2 HIS 17 HD2 HIS 17 -1.725 -3.640 -5.127
127 HE1 HIS 17 HE1 HIS 17 -1.554 -1.043 -8.429
128 H LYS 18 H LYS 18 -1.033 -0.664 -1.525
129 HA LYS 18 HA LYS 18 -3.711 -0.320 -2.403
130 1HB LYS 18 1HB LYS 18 -3.138 -1.660 -0.465
131 2HB LYS 18 2HB LYS 18 -2.454 -0.259 0.368
132 1HG LYS 18 1HG LYS 18 -4.600 -0.790 1.285
133 2HG LYS 18 2HG LYS 18 -4.697 0.784 0.489
134 1HD LYS 18 1HD LYS 18 -5.786 -0.261 -1.478
135 2HD LYS 18 2HD LYS 18 -5.636 -1.862 -0.729
136 1HE LYS 18 1HE LYS 18 -7.217 0.487 0.417
137 2HE LYS 18 2HE LYS 18 -7.909 -0.853 -0.514
138 1HZ LYS 18 1HZ LYS 18 -7.137 -2.352 1.170
139 2HZ LYS 18 2HZ LYS 18 -6.529 -1.103 2.059
140 3HZ LYS 18 3HZ LYS 18 -8.153 -1.217 1.802
141 H LEU 19 H LEU 19 -1.423 1.864 -0.684
142 HA LEU 19 HA LEU 19 -3.217 4.140 -0.691
143 1HB LEU 19 1HB LEU 19 -0.212 3.857 -0.283
144 2HB LEU 19 2HB LEU 19 -1.094 5.379 -0.088
145 HG LEU 19 HG LEU 19 -1.700 2.843 1.489
146 1HD1 LEU 19 1HD1 LEU 19 0.597 3.595 1.939
147 2HD1 LEU 19 2HD1 LEU 19 0.011 5.243 2.256
148 3HD1 LEU 19 3HD1 LEU 19 -0.448 3.908 3.335
149 1HD2 LEU 19 1HD2 LEU 19 -2.505 5.761 1.901
150 2HD2 LEU 19 2HD2 LEU 19 -3.594 4.421 1.477
151 3HD2 LEU 19 3HD2 LEU 19 -2.805 4.447 3.055
152 H GLN 20 H GLN 20 -0.020 4.140 -2.214
153 HA GLN 20 HA GLN 20 0.800 4.679 -4.182
154 1HB GLN 20 1HB GLN 20 -0.412 2.669 -4.761
155 2HB GLN 20 2HB GLN 20 -1.835 3.593 -5.257
156 1HG GLN 20 1HG GLN 20 -0.547 4.618 -7.081
157 2HG GLN 20 2HG GLN 20 0.944 3.870 -6.480
158 1HE2 GLN 20 2HE2 GLN 20 -2.383 2.998 -7.594
159 2HE2 GLN 20 1HE2 GLN 20 -1.912 1.496 -8.360
160 H THR 21 H THR 21 -2.571 5.555 -4.954
161 HA THR 21 HA THR 21 -1.728 8.294 -5.722
162 HB THR 21 HB THR 21 -2.902 7.241 -7.449
163 HG1 THR 21 HG1 THR 21 -4.697 8.898 -6.024
164 1HG2 THR 21 1HG2 THR 21 -5.089 6.441 -5.484
165 2HG2 THR 21 2HG2 THR 21 -5.201 6.346 -7.247
166 3HG2 THR 21 3HG2 THR 21 -4.011 5.363 -6.390
167 H TYR 22 H TYR 22 -3.983 6.519 -3.597
168 HA TYR 22 HA TYR 22 -5.399 7.187 -1.967
169 1HB TYR 22 1HB TYR 22 -4.239 7.953 0.005
170 2HB TYR 22 2HB TYR 22 -3.435 6.634 -0.821
171 HD1 TYR 22 HD1 TYR 22 -3.036 9.992 0.495
172 HD2 TYR 22 HD2 TYR 22 -1.323 7.029 -2.117
173 HE1 TYR 22 HE1 TYR 22 -0.885 11.211 0.518
174 HE2 TYR 22 HE2 TYR 22 0.832 8.243 -2.089
175 HH TYR 22 HH TYR 22 1.983 10.077 -1.310
176 HA PRO 23 HA PRO 23 -6.178 11.556 -3.367
177 1HB PRO 23 1HB PRO 23 -8.655 11.269 -4.455
178 2HB PRO 23 2HB PRO 23 -7.171 10.804 -5.336
179 1HG PRO 23 1HG PRO 23 -8.973 8.977 -3.712
180 2HG PRO 23 2HG PRO 23 -8.432 8.753 -5.402
181 1HD PRO 23 1HD PRO 23 -7.138 7.570 -3.338
182 2HD PRO 23 2HD PRO 23 -6.221 8.263 -4.710
183 H ARG 24 H ARG 24 -7.619 13.096 -2.409
184 HA ARG 24 HA ARG 24 -8.424 12.511 0.259
185 1HB ARG 24 1HB ARG 24 -7.664 14.720 -0.405
186 2HB ARG 24 2HB ARG 24 -8.975 14.878 -1.577
187 1HG ARG 24 1HG ARG 24 -9.426 16.186 0.424
188 2HG ARG 24 2HG ARG 24 -10.644 14.920 0.241
189 1HD ARG 24 1HD ARG 24 -9.525 13.558 1.961
190 2HD ARG 24 2HD ARG 24 -8.210 14.751 2.071
191 HE ARG 24 HE ARG 24 -10.661 16.082 2.533
192 1HH1 ARG 24 1HH2 ARG 24 -8.620 13.629 4.107
193 2HH1 ARG 24 2HH2 ARG 24 -9.165 14.045 5.715
194 1HH2 ARG 24 1HH1 ARG 24 -11.352 16.600 4.646
195 2HH2 ARG 24 2HH1 ARG 24 -10.713 15.729 6.021
196 H THR 25 H THR 25 -10.415 13.486 -2.589
197 HA THR 25 HA THR 25 -12.861 12.417 -1.450
198 HB THR 25 HB THR 25 -12.854 14.367 -2.943
199 HG1 THR 25 HG1 THR 25 -14.582 13.612 -4.213
200 1HG2 THR 25 1HG2 THR 25 -11.056 13.678 -4.549
201 2HG2 THR 25 2HG2 THR 25 -12.141 12.427 -5.195
202 3HG2 THR 25 3HG2 THR 25 -12.564 14.139 -5.354
203 H ASP 26 H ASP 26 -13.967 10.548 -2.110
204 HA ASP 26 HA ASP 26 -12.819 8.673 -4.017
205 1HB ASP 26 1HB ASP 26 -11.372 8.267 -2.046
206 2HB ASP 26 2HB ASP 26 -12.797 8.003 -1.038
207 H VAL 27 H VAL 27 -14.949 8.844 -1.117
208 HA VAL 27 HA VAL 27 -17.310 8.251 -2.722
209 HB VAL 27 HB VAL 27 -16.354 6.013 -2.268
210 1HG1 VAL 27 1HG1 VAL 27 -15.210 6.511 -0.099
211 2HG1 VAL 27 2HG1 VAL 27 -16.797 6.605 0.692
212 3HG1 VAL 27 3HG1 VAL 27 -16.252 5.082 -0.027
213 1HG2 VAL 27 1HG2 VAL 27 -18.809 6.336 -2.450
214 2HG2 VAL 27 2HG2 VAL 27 -18.361 4.971 -1.411
215 3HG2 VAL 27 3HG2 VAL 27 -18.908 6.490 -0.681
216 H GLY 28 H GLY 28 -19.218 8.883 -1.691
217 1HA GLY 28 1HA GLY 28 -19.570 9.534 1.014
218 2HA GLY 28 2HA GLY 28 -18.980 11.002 0.207
219 H ALA 29 H ALA 29 -20.086 11.461 -1.946
220 HA ALA 29 HA ALA 29 -21.832 12.054 -3.174
221 1HB ALA 29 1HB ALA 29 -22.261 9.663 -3.438
222 2HB ALA 29 2HB ALA 29 -23.329 9.663 -2.021
223 3HB ALA 29 3HB ALA 29 -23.758 10.613 -3.452
224 H GLY 30 H GLY 30 -23.644 10.908 -0.283
225 1HA GLY 30 1HA GLY 30 -25.137 13.426 -0.098
226 2HA GLY 30 2HA GLY 30 -25.308 11.974 0.898
227 H THR 31 H THR 31 -22.936 14.569 0.191
228 HA THR 31 HA THR 31 -22.559 15.159 3.004
229 HB THR 31 HB THR 31 -21.062 13.239 2.760
230 HG1 THR 31 HG1 THR 31 -20.371 14.940 4.050
231 1HG2 THR 31 1HG2 THR 31 -20.612 13.361 0.302
232 2HG2 THR 31 2HG2 THR 31 -19.589 14.788 0.582
233 3HG2 THR 31 3HG2 THR 31 -19.142 13.227 1.279
234 HA PRO 32 HA PRO 32 -21.956 19.044 0.857
235 1HB PRO 32 1HB PRO 32 -21.014 20.652 2.859
236 2HB PRO 32 2HB PRO 32 -22.700 20.070 2.774
237 1HG PRO 32 1HG PRO 32 -20.430 18.893 4.393
238 2HG PRO 32 2HG PRO 32 -22.083 19.285 4.942
239 1HD PRO 32 1HD PRO 32 -21.382 16.769 4.208
240 2HD PRO 32 2HD PRO 32 -22.998 17.418 3.809
241 H1 NAG 300 H1 NAG 3 7.783 -17.318 2.706
242 H2 NAG 300 H2 NAG 3 5.404 -17.537 4.606
243 H3 NAG 300 H3 NAG 3 6.128 -19.364 2.280
244 H4 NAG 300 H4 NAG 3 3.814 -17.432 2.662
245 H5 NAG 300 H5 NAG 3 6.254 -17.311 0.820
246 1H6 NAG 300 1H6 NAG 3 4.210 -16.391 -0.252
247 2H6 NAG 300 2H6 NAG 3 5.399 -15.130 0.126
248 1H8 NAG 300 1H8 NAG 3 8.000 -20.947 6.112
249 2H8 NAG 300 2H8 NAG 3 9.341 -21.227 4.981
250 3H8 NAG 300 3H8 NAG 3 9.359 -19.801 6.038
251 HN2 NAG 300 HN2 NAG 3 6.800 -18.854 5.807
252 HO4 NAG 300 HO4 NAG 3 4.634 -19.090 0.469
253 HO3 NAG 300 HO3 NAG 3 4.089 -20.295 2.875
254 HO6 NAG 300 HO6 NAG 3 3.270 -14.545 0.738
255 1HN NH2 33 1HN NH2 33 -19.228 17.850 2.931
256 2HN NH2 33 2HN NH2 33 -17.964 18.354 1.832
Start of MODEL 7
1 1H CYS 1 1H CYS 1 4.754 -17.453 6.410
2 2H CYS 1 2H CYS 1 3.367 -17.117 7.234
3 3H CYS 1 3H CYS 1 3.630 -16.440 5.753
4 HA CYS 1 HA CYS 1 5.457 -15.202 6.545
5 1HB CYS 1 1HB CYS 1 3.139 -14.290 6.639
6 2HB CYS 1 2HB CYS 1 2.997 -14.858 8.297
7 H SER 2 H SER 2 6.835 -17.025 7.345
8 HA SER 2 HA SER 2 7.127 -16.981 10.321
9 1HB SER 2 1HB SER 2 7.187 -19.430 8.506
10 2HB SER 2 2HB SER 2 7.541 -19.407 10.249
11 HG SER 2 HG SER 2 5.409 -18.616 10.564
12 H ASN 3 H ASN 3 8.548 -15.251 9.090
13 HA ASN 3 HA ASN 3 11.230 -15.895 9.602
14 1HB ASN 3 1HB ASN 3 12.157 -15.602 7.259
15 2HB ASN 3 2HB ASN 3 11.452 -17.168 7.617
16 1HD2 ASN 3 1HD2 ASN 3 9.738 -17.907 6.440
17 H LEU 4 H LEU 4 8.890 -13.862 7.897
18 HA LEU 4 HA LEU 4 8.584 -11.659 7.760
19 1HB LEU 4 1HB LEU 4 10.635 -11.295 9.979
20 2HB LEU 4 2HB LEU 4 9.374 -10.176 9.473
21 HG LEU 4 HG LEU 4 8.965 -12.888 10.810
22 1HD1 LEU 4 1HD1 LEU 4 9.790 -11.092 12.288
23 2HD1 LEU 4 2HD1 LEU 4 8.447 -10.046 11.774
24 3HD1 LEU 4 3HD1 LEU 4 8.119 -11.541 12.677
25 1HD2 LEU 4 1HD2 LEU 4 6.911 -10.854 9.829
26 2HD2 LEU 4 2HD2 LEU 4 7.105 -12.533 9.273
27 3HD2 LEU 4 3HD2 LEU 4 6.556 -12.211 10.920
28 H SER 5 H SER 5 9.652 -12.250 5.680
29 HA SER 5 HA SER 5 11.707 -10.239 5.069
30 1HB SER 5 1HB SER 5 13.069 -12.205 5.623
31 2HB SER 5 2HB SER 5 12.115 -13.217 4.524
32 HG SER 5 HG SER 5 13.639 -10.933 3.802
33 H THR 6 H THR 6 10.183 -13.134 3.548
34 HA THR 6 HA THR 6 9.419 -11.744 1.130
35 HB THR 6 HB THR 6 8.071 -13.800 0.731
36 HG1 THR 6 HG1 THR 6 7.533 -14.276 2.867
37 1HG2 THR 6 1HG2 THR 6 10.450 -13.774 0.081
38 2HG2 THR 6 2HG2 THR 6 10.908 -14.359 1.694
39 3HG2 THR 6 3HG2 THR 6 9.946 -15.388 0.617
40 H CYS 7 H CYS 7 7.874 -12.572 4.228
41 HA CYS 7 HA CYS 7 5.235 -11.695 3.633
42 1HB CYS 7 1HB CYS 7 5.870 -13.221 5.442
43 2HB CYS 7 2HB CYS 7 6.732 -11.922 6.270
44 H VAL 8 H VAL 8 8.073 -10.069 5.120
45 HA VAL 8 HA VAL 8 6.810 -7.576 5.685
46 HB VAL 8 HB VAL 8 9.707 -8.404 5.264
47 1HG1 VAL 8 1HG2 VAL 8 8.601 -5.712 6.173
48 2HG1 VAL 8 2HG2 VAL 8 10.285 -6.237 6.385
49 3HG1 VAL 8 3HG2 VAL 8 9.635 -6.026 4.758
50 1HG2 VAL 8 1HG1 VAL 8 8.497 -9.323 7.258
51 2HG2 VAL 8 2HG1 VAL 8 9.808 -8.220 7.707
52 3HG2 VAL 8 3HG1 VAL 8 8.122 -7.669 7.768
53 H LEU 9 H LEU 9 8.822 -8.660 2.896
54 HA LEU 9 HA LEU 9 8.726 -6.314 1.379
55 1HB LEU 9 1HB LEU 9 10.206 -8.221 1.047
56 2HB LEU 9 2HB LEU 9 8.879 -9.220 0.454
57 HG LEU 9 HG LEU 9 9.522 -6.570 -0.878
58 1HD1 LEU 9 1HD1 LEU 9 10.973 -9.204 -1.368
59 2HD1 LEU 9 2HD1 LEU 9 11.124 -7.740 -2.364
60 3HD1 LEU 9 3HD1 LEU 9 11.682 -7.724 -0.684
61 1HD2 LEU 9 1HD2 LEU 9 8.476 -9.244 -1.943
62 2HD2 LEU 9 2HD2 LEU 9 7.508 -7.775 -1.720
63 3HD2 LEU 9 3HD2 LEU 9 8.788 -7.803 -2.929
64 H GLY 10 H GLY 10 6.516 -9.148 1.355
65 1HA GLY 10 1HA GLY 10 4.741 -8.324 -0.666
66 2HA GLY 10 2HA GLY 10 4.370 -9.417 0.677
67 H LYS 11 H LYS 11 4.630 -7.781 2.897
68 HA LYS 11 HA LYS 11 2.117 -6.523 2.959
69 1HB LYS 11 1HB LYS 11 3.086 -7.458 4.948
70 2HB LYS 11 2HB LYS 11 4.493 -6.394 4.847
71 1HG LYS 11 1HG LYS 11 2.938 -5.663 6.583
72 2HG LYS 11 2HG LYS 11 3.122 -4.429 5.336
73 1HD LYS 11 1HD LYS 11 0.945 -5.137 4.328
74 2HD LYS 11 2HD LYS 11 0.788 -6.385 5.582
75 1HE LYS 11 1HE LYS 11 0.755 -4.625 7.319
76 2HE LYS 11 2HE LYS 11 1.002 -3.380 6.078
77 1HZ LYS 11 1HZ LYS 11 -1.076 -4.010 5.110
78 2HZ LYS 11 2HZ LYS 11 -1.314 -5.166 6.262
79 3HZ LYS 11 3HZ LYS 11 -1.280 -3.573 6.687
80 H LEU 12 H LEU 12 5.415 -4.980 3.029
81 HA LEU 12 HA LEU 12 4.337 -2.354 2.983
82 1HB LEU 12 1HB LEU 12 6.555 -1.546 2.717
83 2HB LEU 12 2HB LEU 12 6.497 -2.870 3.873
84 HG LEU 12 HG LEU 12 7.219 -4.326 1.747
85 1HD1 LEU 12 1HD1 LEU 12 7.213 -2.398 0.116
86 2HD1 LEU 12 2HD1 LEU 12 8.408 -1.577 1.130
87 3HD1 LEU 12 3HD1 LEU 12 8.818 -3.102 0.322
88 1HD2 LEU 12 1HD2 LEU 12 8.467 -4.097 3.864
89 2HD2 LEU 12 2HD2 LEU 12 9.556 -4.047 2.468
90 3HD2 LEU 12 3HD2 LEU 12 9.126 -2.544 3.314
91 H SER 13 H SER 13 5.282 -4.547 0.319
92 HA SER 13 HA SER 13 5.121 -2.645 -1.785
93 1HB SER 13 1HB SER 13 6.147 -4.844 -2.063
94 2HB SER 13 2HB SER 13 4.583 -5.646 -1.797
95 HG SER 13 HG SER 13 5.086 -5.384 -4.010
96 H GLN 14 H GLN 14 2.670 -4.941 -0.494
97 HA GLN 14 HA GLN 14 0.483 -4.169 -2.079
98 1HB GLN 14 1HB GLN 14 0.535 -6.205 -0.816
99 2HB GLN 14 2HB GLN 14 0.662 -5.357 0.724
100 1HG GLN 14 1HG GLN 14 -1.722 -5.062 -1.154
101 2HG GLN 14 2HG GLN 14 -1.620 -6.324 0.078
102 1HE2 GLN 14 2HE2 GLN 14 -3.232 -3.608 -0.377
103 2HE2 GLN 14 1HE2 GLN 14 -3.245 -2.937 1.239
104 H GLU 15 H GLU 15 1.520 -2.970 1.141
105 HA GLU 15 HA GLU 15 -0.664 -1.269 1.625
106 1HB GLU 15 1HB GLU 15 0.842 -2.059 3.349
107 2HB GLU 15 2HB GLU 15 2.210 -1.192 2.629
108 1HG GLU 15 1HG GLU 15 1.169 0.964 3.118
109 2HG GLU 15 2HG GLU 15 -0.306 0.161 3.687
110 H LEU 16 H LEU 16 2.644 -0.394 0.480
111 HA LEU 16 HA LEU 16 2.123 2.340 0.052
112 1HB LEU 16 1HB LEU 16 4.137 0.454 -1.222
113 2HB LEU 16 2HB LEU 16 4.179 2.207 -1.429
114 HG LEU 16 HG LEU 16 4.327 0.877 1.316
115 1HD1 LEU 16 1HD1 LEU 16 6.234 0.158 -0.096
116 2HD1 LEU 16 2HD1 LEU 16 6.591 1.856 -0.475
117 3HD1 LEU 16 3HD1 LEU 16 6.753 1.259 1.191
118 1HD2 LEU 16 1HD2 LEU 16 4.992 3.692 0.344
119 2HD2 LEU 16 2HD2 LEU 16 3.642 3.240 1.408
120 3HD2 LEU 16 3HD2 LEU 16 5.305 3.063 1.974
121 H HIS 17 H HIS 17 1.815 -0.451 -2.193
122 HA HIS 17 HA HIS 17 1.161 1.053 -4.514
123 1HB HIS 17 1HB HIS 17 1.776 -1.287 -4.647
124 2HB HIS 17 2HB HIS 17 0.382 -1.760 -3.665
125 HD1 HIS 17 HD1 HIS 17 -1.956 -1.798 -4.782
126 HD2 HIS 17 HD2 HIS 17 1.117 -0.547 -7.344
127 HE1 HIS 17 HE1 HIS 17 -2.911 -1.734 -7.137
128 H LYS 18 H LYS 18 -0.937 -0.455 -2.000
129 HA LYS 18 HA LYS 18 -3.376 0.132 -3.202
130 1HB LYS 18 1HB LYS 18 -3.166 -1.507 -1.451
131 2HB LYS 18 2HB LYS 18 -2.647 -0.286 -0.282
132 1HG LYS 18 1HG LYS 18 -4.939 -0.931 0.115
133 2HG LYS 18 2HG LYS 18 -4.876 0.771 -0.348
134 1HD LYS 18 1HD LYS 18 -5.573 0.170 -2.663
135 2HD LYS 18 2HD LYS 18 -5.614 -1.544 -2.207
136 1HE LYS 18 1HE LYS 18 -7.322 0.674 -0.982
137 2HE LYS 18 2HE LYS 18 -7.856 -0.458 -2.235
138 1HZ LYS 18 1HZ LYS 18 -7.463 -2.246 -0.707
139 2HZ LYS 18 2HZ LYS 18 -7.004 -1.189 0.473
140 3HZ LYS 18 3HZ LYS 18 -8.550 -1.167 -0.096
141 H LEU 19 H LEU 19 -1.756 1.977 -0.531
142 HA LEU 19 HA LEU 19 -3.741 3.984 -0.431
143 1HB LEU 19 1HB LEU 19 -2.247 5.206 1.012
144 2HB LEU 19 2HB LEU 19 -2.285 3.489 1.392
145 HG LEU 19 HG LEU 19 -0.089 3.429 -0.128
146 1HD1 LEU 19 1HD1 LEU 19 -0.128 5.868 -0.747
147 2HD1 LEU 19 2HD1 LEU 19 -0.063 6.279 0.973
148 3HD1 LEU 19 3HD1 LEU 19 1.297 5.441 0.203
149 1HD2 LEU 19 1HD2 LEU 19 -0.244 2.784 2.251
150 2HD2 LEU 19 2HD2 LEU 19 1.227 3.722 1.948
151 3HD2 LEU 19 3HD2 LEU 19 -0.171 4.492 2.727
152 H GLN 20 H GLN 20 -0.878 3.700 -2.510
153 HA GLN 20 HA GLN 20 -0.967 6.380 -3.529
154 1HB GLN 20 1HB GLN 20 0.991 4.944 -3.646
155 2HB GLN 20 2HB GLN 20 0.177 3.828 -4.746
156 1HG GLN 20 1HG GLN 20 0.583 6.792 -5.361
157 2HG GLN 20 2HG GLN 20 1.801 5.569 -5.729
158 1HE2 GLN 20 2HE2 GLN 20 1.006 3.612 -7.029
159 2HE2 GLN 20 1HE2 GLN 20 -0.065 3.970 -8.367
160 H THR 21 H THR 21 -2.283 3.239 -4.726
161 HA THR 21 HA THR 21 -3.888 4.563 -6.797
162 HB THR 21 HB THR 21 -4.559 2.293 -7.386
163 HG1 THR 21 HG1 THR 21 -2.988 1.504 -5.160
164 1HG2 THR 21 1HG2 THR 21 -2.391 3.189 -8.237
165 2HG2 THR 21 2HG2 THR 21 -1.558 2.369 -6.894
166 3HG2 THR 21 3HG2 THR 21 -2.434 1.420 -8.106
167 H TYR 22 H TYR 22 -4.553 5.570 -4.265
168 HA TYR 22 HA TYR 22 -7.405 4.959 -4.203
169 1HB TYR 22 1HB TYR 22 -6.509 3.241 -2.722
170 2HB TYR 22 2HB TYR 22 -5.623 4.455 -1.803
171 HD1 TYR 22 HD1 TYR 22 -8.960 5.682 -2.602
172 HD2 TYR 22 HD2 TYR 22 -6.775 3.007 -0.006
173 HE1 TYR 22 HE1 TYR 22 -10.794 5.762 -0.972
174 HE2 TYR 22 HE2 TYR 22 -8.660 3.040 1.596
175 HH TYR 22 HH TYR 22 -11.582 5.050 1.072
176 HA PRO 23 HA PRO 23 -6.183 9.432 -3.793
177 1HB PRO 23 1HB PRO 23 -8.936 9.490 -5.057
178 2HB PRO 23 2HB PRO 23 -7.544 10.570 -5.356
179 1HG PRO 23 1HG PRO 23 -8.086 8.573 -7.095
180 2HG PRO 23 2HG PRO 23 -6.395 8.833 -6.562
181 1HD PRO 23 1HD PRO 23 -8.384 6.801 -5.508
182 2HD PRO 23 2HD PRO 23 -6.679 6.566 -5.997
183 H ARG 24 H ARG 24 -6.486 10.256 -1.805
184 HA ARG 24 HA ARG 24 -7.209 10.607 0.268
185 1HB ARG 24 1HB ARG 24 -9.083 11.737 -0.946
186 2HB ARG 24 2HB ARG 24 -10.086 10.307 -0.705
187 1HG ARG 24 1HG ARG 24 -8.741 11.861 1.561
188 2HG ARG 24 2HG ARG 24 -10.353 12.226 0.936
189 1HD ARG 24 1HD ARG 24 -11.130 9.959 1.519
190 2HD ARG 24 2HD ARG 24 -9.559 9.590 2.244
191 HE ARG 24 HE ARG 24 -11.679 11.267 3.323
192 1HH1 ARG 24 1HH2 ARG 24 -8.212 10.446 3.551
193 2HH1 ARG 24 2HH2 ARG 24 -8.080 11.033 5.191
194 1HH2 ARG 24 1HH1 ARG 24 -11.455 12.008 5.459
195 2HH2 ARG 24 2HH1 ARG 24 -9.910 11.914 6.271
196 H THR 25 H THR 25 -6.169 8.748 0.976
197 HA THR 25 HA THR 25 -7.494 6.171 1.059
198 HB THR 25 HB THR 25 -4.955 7.214 2.374
199 HG1 THR 25 HG1 THR 25 -4.015 6.105 0.633
200 1HG2 THR 25 1HG2 THR 25 -5.987 4.358 2.039
201 2HG2 THR 25 2HG2 THR 25 -4.362 4.809 2.591
202 3HG2 THR 25 3HG2 THR 25 -5.772 5.218 3.579
203 H ASP 26 H ASP 26 -8.804 5.418 2.635
204 HA ASP 26 HA ASP 26 -8.746 6.410 5.366
205 1HB ASP 26 1HB ASP 26 -11.049 7.233 5.398
206 2HB ASP 26 2HB ASP 26 -10.096 8.166 4.253
207 H VAL 27 H VAL 27 -10.817 5.374 6.509
208 HA VAL 27 HA VAL 27 -11.662 2.830 5.390
209 HB VAL 27 HB VAL 27 -9.454 2.241 6.299
210 1HG1 VAL 27 1HG1 VAL 27 -9.233 3.961 8.068
211 2HG1 VAL 27 2HG1 VAL 27 -10.503 3.156 9.013
212 3HG1 VAL 27 3HG1 VAL 27 -8.970 2.328 8.696
213 1HG2 VAL 27 1HG2 VAL 27 -11.321 0.603 6.377
214 2HG2 VAL 27 2HG2 VAL 27 -10.115 0.355 7.652
215 3HG2 VAL 27 3HG2 VAL 27 -11.671 1.104 8.047
216 H GLY 28 H GLY 28 -13.514 2.046 6.392
217 1HA GLY 28 1HA GLY 28 -15.060 3.959 7.990
218 2HA GLY 28 2HA GLY 28 -15.590 2.413 7.315
219 H ALA 29 H ALA 29 -13.401 3.775 9.789
220 HA ALA 29 HA ALA 29 -12.750 3.140 11.840
221 1HB ALA 29 1HB ALA 29 -15.130 3.370 12.362
222 2HB ALA 29 2HB ALA 29 -15.414 1.664 11.965
223 3HB ALA 29 3HB ALA 29 -14.370 2.095 13.332
224 H GLY 30 H GLY 30 -11.023 1.999 10.734
225 1HA GLY 30 1HA GLY 30 -11.125 -0.894 10.380
226 2HA GLY 30 2HA GLY 30 -9.728 0.181 10.217
227 H THR 31 H THR 31 -11.934 -1.166 12.682
228 HA THR 31 HA THR 31 -9.698 -1.406 14.661
229 HB THR 31 HB THR 31 -11.382 -0.770 16.377
230 HG1 THR 31 HG1 THR 31 -13.225 0.347 15.614
231 1HG2 THR 31 1HG2 THR 31 -9.724 0.870 15.509
232 2HG2 THR 31 2HG2 THR 31 -10.897 1.387 14.276
233 3HG2 THR 31 3HG2 THR 31 -11.251 1.629 15.995
234 HA PRO 32 HA PRO 32 -11.992 -5.418 14.060
235 1HB PRO 32 1HB PRO 32 -9.940 -7.059 13.391
236 2HB PRO 32 2HB PRO 32 -10.674 -5.930 12.222
237 1HG PRO 32 1HG PRO 32 -8.162 -5.468 13.861
238 2HG PRO 32 2HG PRO 32 -8.367 -5.288 12.095
239 1HD PRO 32 1HD PRO 32 -8.573 -3.170 13.796
240 2HD PRO 32 2HD PRO 32 -9.618 -3.311 12.350
241 H1 NAG 300 H1 NAG 3 8.494 -16.178 4.379
242 H2 NAG 300 H2 NAG 3 10.213 -18.653 3.853
243 H3 NAG 300 H3 NAG 3 8.650 -16.949 1.871
244 H4 NAG 300 H4 NAG 3 8.192 -19.798 2.829
245 H5 NAG 300 H5 NAG 3 6.618 -17.228 3.344
246 1H6 NAG 300 1H6 NAG 3 5.113 -19.177 3.126
247 2H6 NAG 300 2H6 NAG 3 5.214 -18.632 4.810
248 1H8 NAG 300 1H8 NAG 3 14.197 -16.437 2.899
249 2H8 NAG 300 2H8 NAG 3 13.013 -15.479 1.989
250 3H8 NAG 300 3H8 NAG 3 13.119 -15.321 3.759
251 HN2 NAG 300 HN2 NAG 3 10.678 -15.763 3.329
252 HO4 NAG 300 HO4 NAG 3 6.323 -19.578 1.506
253 HO3 NAG 300 HO3 NAG 3 10.612 -17.923 1.090
254 HO6 NAG 300 HO6 NAG 3 6.748 -20.301 5.164
255 1HN NH2 33 1HN NH2 33 -11.339 -5.864 17.566
256 2HN NH2 33 2HN NH2 33 -12.332 -5.014 16.398
Start of MODEL 8
1 1H CYS 1 1H CYS 1 4.400 -17.504 7.818
2 2H CYS 1 2H CYS 1 3.357 -16.500 8.607
3 3H CYS 1 3H CYS 1 3.387 -16.529 6.958
4 HA CYS 1 HA CYS 1 5.583 -15.685 6.906
5 1HB CYS 1 1HB CYS 1 3.641 -14.174 6.819
6 2HB CYS 1 2HB CYS 1 3.680 -14.004 8.572
7 H SER 2 H SER 2 6.491 -17.486 8.341
8 HA SER 2 HA SER 2 7.145 -16.749 11.097
9 1HB SER 2 1HB SER 2 6.653 -19.079 10.485
10 2HB SER 2 2HB SER 2 8.013 -19.085 9.343
11 HG SER 2 HG SER 2 8.175 -18.628 12.141
12 H ASN 3 H ASN 3 8.816 -17.141 7.950
13 HA ASN 3 HA ASN 3 11.428 -16.527 8.811
14 1HB ASN 3 1HB ASN 3 11.923 -16.186 6.450
15 2HB ASN 3 2HB ASN 3 10.963 -17.644 6.708
16 1HD2 ASN 3 1HD2 ASN 3 8.741 -17.673 6.054
17 H LEU 4 H LEU 4 8.747 -14.395 7.869
18 HA LEU 4 HA LEU 4 8.458 -12.177 7.908
19 1HB LEU 4 1HB LEU 4 10.634 -12.331 10.032
20 2HB LEU 4 2HB LEU 4 9.671 -10.892 9.720
21 HG LEU 4 HG LEU 4 8.277 -13.508 10.337
22 1HD1 LEU 4 1HD1 LEU 4 9.413 -11.550 12.372
23 2HD1 LEU 4 2HD1 LEU 4 8.304 -12.893 12.727
24 3HD1 LEU 4 3HD1 LEU 4 9.936 -13.230 12.123
25 1HD2 LEU 4 1HD2 LEU 4 6.975 -11.492 9.546
26 2HD2 LEU 4 2HD2 LEU 4 6.537 -12.017 11.181
27 3HD2 LEU 4 3HD2 LEU 4 7.579 -10.598 10.948
28 H SER 5 H SER 5 9.515 -12.594 5.652
29 HA SER 5 HA SER 5 11.475 -10.443 5.223
30 1HB SER 5 1HB SER 5 12.923 -12.374 5.662
31 2HB SER 5 2HB SER 5 12.076 -13.331 4.435
32 HG SER 5 HG SER 5 13.469 -10.898 3.996
33 H THR 6 H THR 6 10.241 -13.253 3.304
34 HA THR 6 HA THR 6 9.799 -11.660 0.974
35 HB THR 6 HB THR 6 8.604 -13.635 0.120
36 HG1 THR 6 HG1 THR 6 8.980 -14.650 2.733
37 1HG2 THR 6 1HG2 THR 6 11.095 -13.670 0.102
38 2HG2 THR 6 2HG2 THR 6 11.080 -14.467 1.695
39 3HG2 THR 6 3HG2 THR 6 10.386 -15.290 0.287
40 H CYS 7 H CYS 7 7.583 -13.024 3.406
41 HA CYS 7 HA CYS 7 5.172 -11.854 2.527
42 1HB CYS 7 1HB CYS 7 4.425 -12.294 4.881
43 2HB CYS 7 2HB CYS 7 5.078 -13.672 4.001
44 H VAL 8 H VAL 8 7.699 -10.553 4.723
45 HA VAL 8 HA VAL 8 6.198 -8.266 5.570
46 HB VAL 8 HB VAL 8 9.178 -8.874 5.511
47 1HG1 VAL 8 1HG1 VAL 8 7.713 -6.506 6.759
48 2HG1 VAL 8 2HG1 VAL 8 9.386 -6.974 7.128
49 3HG1 VAL 8 3HG1 VAL 8 8.966 -6.436 5.499
50 1HG2 VAL 8 1HG2 VAL 8 7.729 -10.257 7.015
51 2HG2 VAL 8 2HG2 VAL 8 8.852 -9.223 7.918
52 3HG2 VAL 8 3HG2 VAL 8 7.139 -8.774 7.784
53 H LEU 9 H LEU 9 8.762 -8.642 3.055
54 HA LEU 9 HA LEU 9 8.619 -6.009 2.031
55 1HB LEU 9 1HB LEU 9 9.377 -8.658 0.751
56 2HB LEU 9 2HB LEU 9 9.603 -7.102 -0.053
57 HG LEU 9 HG LEU 9 10.849 -7.724 2.662
58 1HD1 LEU 9 1HD1 LEU 9 11.652 -9.359 0.991
59 2HD1 LEU 9 2HD1 LEU 9 12.066 -8.031 -0.115
60 3HD1 LEU 9 3HD1 LEU 9 12.926 -8.208 1.430
61 1HD2 LEU 9 1HD2 LEU 9 11.456 -5.619 0.538
62 2HD2 LEU 9 2HD2 LEU 9 10.731 -5.318 2.133
63 3HD2 LEU 9 3HD2 LEU 9 12.396 -5.895 2.018
64 H GLY 10 H GLY 10 6.758 -8.944 1.182
65 1HA GLY 10 1HA GLY 10 5.328 -7.936 -1.038
66 2HA GLY 10 2HA GLY 10 4.819 -9.241 0.047
67 H LYS 11 H LYS 11 4.515 -7.972 2.476
68 HA LYS 11 HA LYS 11 1.961 -6.798 2.260
69 1HB LYS 11 1HB LYS 11 2.653 -8.007 4.238
70 2HB LYS 11 2HB LYS 11 3.975 -6.873 4.538
71 1HG LYS 11 1HG LYS 11 2.138 -6.469 6.064
72 2HG LYS 11 2HG LYS 11 2.385 -5.069 5.020
73 1HD LYS 11 1HD LYS 11 0.433 -5.776 3.624
74 2HD LYS 11 2HD LYS 11 0.261 -7.230 4.624
75 1HE LYS 11 1HE LYS 11 -1.370 -5.574 5.315
76 2HE LYS 11 2HE LYS 11 -0.176 -5.772 6.610
77 1HZ LYS 11 1HZ LYS 11 -0.212 -3.618 4.612
78 2HZ LYS 11 2HZ LYS 11 -0.689 -3.484 6.184
79 3HZ LYS 11 3HZ LYS 11 0.891 -3.779 5.827
80 H LEU 12 H LEU 12 5.165 -5.296 2.959
81 HA LEU 12 HA LEU 12 4.246 -2.626 3.215
82 1HB LEU 12 1HB LEU 12 6.924 -3.774 2.351
83 2HB LEU 12 2HB LEU 12 6.666 -2.064 2.714
84 HG LEU 12 HG LEU 12 6.121 -4.285 4.730
85 1HD1 LEU 12 1HD2 LEU 12 8.498 -4.309 4.068
86 2HD1 LEU 12 2HD2 LEU 12 8.613 -2.566 4.393
87 3HD1 LEU 12 3HD2 LEU 12 8.300 -3.704 5.722
88 1HD2 LEU 12 1HD1 LEU 12 6.474 -1.269 5.033
89 2HD2 LEU 12 2HD1 LEU 12 4.965 -2.178 5.269
90 3HD2 LEU 12 3HD1 LEU 12 6.322 -2.425 6.371
91 H SER 13 H SER 13 5.489 -4.411 0.371
92 HA SER 13 HA SER 13 5.418 -2.296 -1.491
93 1HB SER 13 1HB SER 13 6.572 -4.419 -1.888
94 2HB SER 13 2HB SER 13 5.021 -5.282 -1.944
95 HG SER 13 HG SER 13 4.471 -3.962 -3.734
96 H GLN 14 H GLN 14 2.881 -4.715 -0.634
97 HA GLN 14 HA GLN 14 0.967 -3.715 -2.495
98 1HB GLN 14 1HB GLN 14 0.927 -6.000 -1.572
99 2HB GLN 14 2HB GLN 14 0.581 -5.357 0.041
100 1HG GLN 14 1HG GLN 14 -1.457 -6.195 -1.057
101 2HG GLN 14 2HG GLN 14 -1.579 -4.466 -0.746
102 1HE2 GLN 14 2HE2 GLN 14 -0.988 -6.931 -3.271
103 2HE2 GLN 14 1HE2 GLN 14 -1.430 -5.917 -4.628
104 H GLU 15 H GLU 15 1.719 -2.921 0.902
105 HA GLU 15 HA GLU 15 -0.615 -1.435 1.496
106 1HB GLU 15 1HB GLU 15 0.857 -2.306 3.199
107 2HB GLU 15 2HB GLU 15 2.197 -1.290 2.645
108 1HG GLU 15 1HG GLU 15 0.993 0.737 3.284
109 2HG GLU 15 2HG GLU 15 -0.452 -0.210 3.685
110 H LEU 16 H LEU 16 2.687 -0.240 0.566
111 HA LEU 16 HA LEU 16 1.851 2.455 0.336
112 1HB LEU 16 1HB LEU 16 3.994 2.920 -0.618
113 2HB LEU 16 2HB LEU 16 4.121 1.807 0.738
114 HG LEU 16 HG LEU 16 4.117 -0.044 -1.188
115 1HD1 LEU 16 1HD1 LEU 16 3.836 1.568 -3.101
116 2HD1 LEU 16 2HD1 LEU 16 5.322 2.386 -2.595
117 3HD1 LEU 16 3HD1 LEU 16 5.376 0.710 -3.171
118 1HD2 LEU 16 1HD2 LEU 16 6.522 1.689 -0.498
119 2HD2 LEU 16 2HD2 LEU 16 5.913 0.322 0.458
120 3HD2 LEU 16 3HD2 LEU 16 6.583 0.040 -1.156
121 H HIS 17 H HIS 17 1.749 -0.217 -1.988
122 HA HIS 17 HA HIS 17 1.240 1.326 -4.332
123 1HB HIS 17 1HB HIS 17 1.978 -0.970 -4.419
124 2HB HIS 17 2HB HIS 17 0.540 -1.527 -3.560
125 HD1 HIS 17 HD1 HIS 17 -0.449 0.939 -6.097
126 HD2 HIS 17 HD2 HIS 17 0.409 -3.162 -6.006
127 HE1 HIS 17 HE1 HIS 17 -1.418 -0.093 -8.214
128 H LYS 18 H LYS 18 -1.050 -0.460 -2.144
129 HA LYS 18 HA LYS 18 -3.304 0.357 -3.592
130 1HB LYS 18 1HB LYS 18 -4.651 -0.603 -1.938
131 2HB LYS 18 2HB LYS 18 -3.213 -1.619 -2.129
132 1HG LYS 18 1HG LYS 18 -2.267 -0.596 -0.069
133 2HG LYS 18 2HG LYS 18 -3.754 0.325 0.165
134 1HD LYS 18 1HD LYS 18 -3.503 -2.714 0.086
135 2HD LYS 18 2HD LYS 18 -3.663 -1.724 1.541
136 1HE LYS 18 1HE LYS 18 -5.772 -2.070 -0.638
137 2HE LYS 18 2HE LYS 18 -5.801 -2.733 0.997
138 1HZ LYS 18 1HZ LYS 18 -5.842 -0.498 1.846
139 2HZ LYS 18 2HZ LYS 18 -5.869 0.116 0.315
140 3HZ LYS 18 3HZ LYS 18 -7.129 -0.791 0.862
141 H LEU 19 H LEU 19 -1.896 1.867 -0.621
142 HA LEU 19 HA LEU 19 -4.043 3.725 -0.351
143 1HB LEU 19 1HB LEU 19 -2.755 4.819 1.310
144 2HB LEU 19 2HB LEU 19 -2.627 3.073 1.468
145 HG LEU 19 HG LEU 19 -0.366 3.413 0.100
146 1HD1 LEU 19 1HD1 LEU 19 -0.699 6.114 1.497
147 2HD1 LEU 19 2HD1 LEU 19 0.788 5.502 0.748
148 3HD1 LEU 19 3HD1 LEU 19 -0.607 5.893 -0.257
149 1HD2 LEU 19 1HD2 LEU 19 -0.581 2.511 2.410
150 2HD2 LEU 19 2HD2 LEU 19 0.811 3.597 2.271
151 3HD2 LEU 19 3HD2 LEU 19 -0.684 4.164 3.041
152 H GLN 20 H GLN 20 -1.075 3.795 -2.293
153 HA GLN 20 HA GLN 20 -1.164 6.603 -2.900
154 1HB GLN 20 1HB GLN 20 0.879 5.310 -3.047
155 2HB GLN 20 2HB GLN 20 0.181 4.254 -4.287
156 1HG GLN 20 1HG GLN 20 0.006 6.201 -5.832
157 2HG GLN 20 2HG GLN 20 0.660 7.252 -4.563
158 1HE2 GLN 20 2HE2 GLN 20 1.417 4.191 -6.339
159 2HE2 GLN 20 1HE2 GLN 20 3.139 4.485 -6.456
160 H THR 21 H THR 21 -1.947 3.698 -4.902
161 HA THR 21 HA THR 21 -3.079 5.260 -7.014
162 HB THR 21 HB THR 21 -3.720 3.044 -7.941
163 HG1 THR 21 HG1 THR 21 -3.012 1.215 -6.771
164 1HG2 THR 21 1HG2 THR 21 -1.451 4.032 -8.286
165 2HG2 THR 21 2HG2 THR 21 -0.864 3.145 -6.863
166 3HG2 THR 21 3HG2 THR 21 -1.442 2.263 -8.290
167 H TYR 22 H TYR 22 -4.482 3.825 -4.120
168 HA TYR 22 HA TYR 22 -7.148 4.915 -4.900
169 1HB TYR 22 1HB TYR 22 -6.657 2.358 -3.355
170 2HB TYR 22 2HB TYR 22 -8.203 3.112 -3.700
171 HD1 TYR 22 HD1 TYR 22 -9.147 3.069 -6.002
172 HD2 TYR 22 HD2 TYR 22 -5.404 1.154 -5.062
173 HE1 TYR 22 HE1 TYR 22 -9.269 1.787 -8.120
174 HE2 TYR 22 HE2 TYR 22 -5.506 -0.098 -7.200
175 HH TYR 22 HH TYR 22 -6.717 -0.531 -9.104
176 HA PRO 23 HA PRO 23 -5.731 6.845 -0.940
177 1HB PRO 23 1HB PRO 23 -6.963 9.249 -1.171
178 2HB PRO 23 2HB PRO 23 -5.510 8.826 -2.114
179 1HG PRO 23 1HG PRO 23 -8.390 8.666 -3.032
180 2HG PRO 23 2HG PRO 23 -7.012 9.434 -3.871
181 1HD PRO 23 1HD PRO 23 -7.872 6.908 -4.430
182 2HD PRO 23 2HD PRO 23 -6.134 7.331 -4.521
183 H ARG 24 H ARG 24 -6.975 5.022 -0.143
184 HA ARG 24 HA ARG 24 -9.425 5.647 1.286
185 1HB ARG 24 1HB ARG 24 -10.274 5.265 -1.026
186 2HB ARG 24 2HB ARG 24 -9.409 3.720 -1.079
187 1HG ARG 24 1HG ARG 24 -10.829 2.881 0.791
188 2HG ARG 24 2HG ARG 24 -11.635 4.455 0.879
189 1HD ARG 24 1HD ARG 24 -13.012 2.862 -0.334
190 2HD ARG 24 2HD ARG 24 -12.499 4.145 -1.426
191 HE ARG 24 HE ARG 24 -11.590 1.307 -1.329
192 1HH1 ARG 24 1HH2 ARG 24 -11.337 4.435 -3.042
193 2HH1 ARG 24 2HH2 ARG 24 -10.609 3.705 -4.451
194 1HH2 ARG 24 1HH1 ARG 24 -10.638 0.425 -3.172
195 2HH2 ARG 24 2HH1 ARG 24 -10.210 1.444 -4.527
196 H THR 25 H THR 25 -9.287 4.456 3.122
197 HA THR 25 HA THR 25 -7.180 2.600 3.610
198 HB THR 25 HB THR 25 -9.740 3.154 5.175
199 HG1 THR 25 HG1 THR 25 -7.132 4.249 5.347
200 1HG2 THR 25 1HG2 THR 25 -7.088 1.902 6.030
201 2HG2 THR 25 2HG2 THR 25 -8.406 2.373 7.124
202 3HG2 THR 25 3HG2 THR 25 -8.659 1.072 5.949
203 H ASP 26 H ASP 26 -10.720 2.178 3.177
204 HA ASP 26 HA ASP 26 -10.693 -0.680 3.390
205 1HB ASP 26 1HB ASP 26 -12.772 1.241 2.269
206 2HB ASP 26 2HB ASP 26 -13.035 -0.473 2.627
207 H VAL 27 H VAL 27 -9.306 -1.600 1.966
208 HA VAL 27 HA VAL 27 -8.474 -2.523 0.170
209 HB VAL 27 HB VAL 27 -9.882 -3.504 -1.410
210 1HG1 VAL 27 1HG1 VAL 27 -10.068 -4.283 0.942
211 2HG1 VAL 27 2HG1 VAL 27 -11.495 -3.249 1.158
212 3HG1 VAL 27 3HG1 VAL 27 -11.536 -4.575 -0.013
213 1HG2 VAL 27 1HG2 VAL 27 -11.237 -1.463 -2.091
214 2HG2 VAL 27 2HG2 VAL 27 -12.117 -2.988 -1.936
215 3HG2 VAL 27 3HG2 VAL 27 -12.260 -1.776 -0.667
216 H GLY 28 H GLY 28 -8.238 -2.497 -2.336
217 1HA GLY 28 1HA GLY 28 -8.394 -0.196 -3.890
218 2HA GLY 28 2HA GLY 28 -6.889 -0.049 -2.955
219 H ALA 29 H ALA 29 -5.141 -0.908 -3.967
220 HA ALA 29 HA ALA 29 -5.312 -2.769 -6.174
221 1HB ALA 29 1HB ALA 29 -3.507 -1.113 -6.005
222 2HB ALA 29 2HB ALA 29 -2.929 -1.868 -4.507
223 3HB ALA 29 3HB ALA 29 -2.871 -2.771 -6.032
224 H GLY 30 H GLY 30 -4.670 -2.973 -2.667
225 1HA GLY 30 1HA GLY 30 -4.184 -5.865 -2.664
226 2HA GLY 30 2HA GLY 30 -4.319 -4.772 -1.278
227 H THR 31 H THR 31 -6.290 -6.102 -3.957
228 HA THR 31 HA THR 31 -8.808 -5.713 -2.632
229 HB THR 31 HB THR 31 -8.120 -7.371 -5.079
230 HG1 THR 31 HG1 THR 31 -8.857 -4.654 -4.766
231 1HG2 THR 31 1HG2 THR 31 -10.740 -6.122 -4.121
232 2HG2 THR 31 2HG2 THR 31 -10.485 -6.934 -5.680
233 3HG2 THR 31 3HG2 THR 31 -10.378 -7.862 -4.175
234 HA PRO 32 HA PRO 32 -8.420 -9.489 -0.113
235 1HB PRO 32 1HB PRO 32 -11.435 -9.202 -0.188
236 2HB PRO 32 2HB PRO 32 -10.393 -9.635 1.201
237 1HG PRO 32 1HG PRO 32 -11.297 -7.100 0.951
238 2HG PRO 32 2HG PRO 32 -9.575 -7.379 1.352
239 1HD PRO 32 1HD PRO 32 -10.770 -6.716 -1.351
240 2HD PRO 32 2HD PRO 32 -9.313 -6.057 -0.543
241 H1 NAG 300 H1 NAG 3 8.020 -15.612 4.025
242 H2 NAG 300 H2 NAG 3 8.428 -18.621 3.662
243 H3 NAG 300 H3 NAG 3 7.400 -16.700 1.548
244 H4 NAG 300 H4 NAG 3 5.853 -18.793 3.119
245 H5 NAG 300 H5 NAG 3 5.865 -15.743 3.217
246 1H6 NAG 300 1H6 NAG 3 3.539 -16.599 3.416
247 2H6 NAG 300 2H6 NAG 3 4.135 -15.917 4.937
248 1H8 NAG 300 1H8 NAG 3 11.978 -17.201 1.341
249 2H8 NAG 300 2H8 NAG 3 12.296 -16.290 2.838
250 3H8 NAG 300 3H8 NAG 3 12.938 -17.934 2.643
251 HN2 NAG 300 HN2 NAG 3 9.706 -16.435 2.089
252 HO4 NAG 300 HO4 NAG 3 4.115 -17.881 1.914
253 HO3 NAG 300 HO3 NAG 3 7.010 -18.720 0.493
254 HO6 NAG 300 HO6 NAG 3 4.612 -18.072 5.599
255 1HN NH2 33 1HN NH2 33 -8.587 -11.729 -0.488
256 2HN NH2 33 2HN NH2 33 -9.346 -12.415 -1.908
Start of MODEL 9
1 1H CYS 1 1H CYS 1 2.870 -16.185 6.948
2 2H CYS 1 2H CYS 1 2.382 -15.252 8.218
3 3H CYS 1 3H CYS 1 2.461 -14.608 6.701
4 HA CYS 1 HA CYS 1 4.810 -14.864 6.631
5 1HB CYS 1 1HB CYS 1 3.688 -13.334 8.992
6 2HB CYS 1 2HB CYS 1 5.380 -13.253 8.497
7 H SER 2 H SER 2 5.323 -17.096 6.941
8 HA SER 2 HA SER 2 6.027 -18.107 9.581
9 1HB SER 2 1HB SER 2 5.569 -19.628 7.707
10 2HB SER 2 2HB SER 2 6.906 -18.927 6.774
11 HG SER 2 HG SER 2 7.116 -20.224 9.292
12 H ASN 3 H ASN 3 7.763 -16.757 6.763
13 HA ASN 3 HA ASN 3 10.218 -16.206 8.251
14 1HB ASN 3 1HB ASN 3 11.062 -15.425 6.140
15 2HB ASN 3 2HB ASN 3 10.195 -16.934 5.857
16 1HD2 ASN 3 1HD2 ASN 3 7.985 -16.789 4.998
17 H LEU 4 H LEU 4 11.133 -13.892 7.725
18 HA LEU 4 HA LEU 4 9.145 -11.728 8.009
19 1HB LEU 4 1HB LEU 4 10.382 -10.745 9.870
20 2HB LEU 4 2HB LEU 4 9.564 -12.236 10.306
21 HG LEU 4 HG LEU 4 12.467 -12.452 9.493
22 1HD1 LEU 4 1HD1 LEU 4 11.525 -11.388 12.186
23 2HD1 LEU 4 2HD1 LEU 4 13.184 -11.881 11.783
24 3HD1 LEU 4 3HD1 LEU 4 12.456 -10.487 10.968
25 1HD2 LEU 4 1HD2 LEU 4 10.796 -13.778 11.679
26 2HD2 LEU 4 2HD2 LEU 4 11.202 -14.510 10.116
27 3HD2 LEU 4 3HD2 LEU 4 12.482 -14.156 11.279
28 H SER 5 H SER 5 10.238 -12.188 5.681
29 HA SER 5 HA SER 5 12.105 -9.946 5.301
30 1HB SER 5 1HB SER 5 13.665 -11.370 3.959
31 2HB SER 5 2HB SER 5 13.673 -11.725 5.694
32 HG SER 5 HG SER 5 12.482 -13.223 3.620
33 H THR 6 H THR 6 10.853 -12.770 3.450
34 HA THR 6 HA THR 6 10.059 -11.170 1.169
35 HB THR 6 HB THR 6 9.384 -14.005 2.021
36 HG1 THR 6 HG1 THR 6 10.991 -14.497 0.500
37 1HG2 THR 6 1HG2 THR 6 9.045 -12.617 -0.677
38 2HG2 THR 6 2HG2 THR 6 8.813 -14.351 -0.374
39 3HG2 THR 6 3HG2 THR 6 7.724 -13.172 0.374
40 H CYS 7 H CYS 7 8.523 -12.451 4.113
41 HA CYS 7 HA CYS 7 5.850 -11.616 3.827
42 1HB CYS 7 1HB CYS 7 6.542 -12.915 5.731
43 2HB CYS 7 2HB CYS 7 7.793 -11.746 6.142
44 H VAL 8 H VAL 8 8.674 -9.811 5.168
45 HA VAL 8 HA VAL 8 7.272 -7.436 5.724
46 HB VAL 8 HB VAL 8 10.239 -7.929 5.246
47 1HG1 VAL 8 1HG2 VAL 8 8.818 -5.520 6.461
48 2HG1 VAL 8 2HG2 VAL 8 10.563 -5.831 6.561
49 3HG1 VAL 8 3HG2 VAL 8 9.816 -5.533 4.989
50 1HG2 VAL 8 1HG1 VAL 8 9.234 -9.211 7.141
51 2HG2 VAL 8 2HG1 VAL 8 10.349 -7.960 7.706
52 3HG2 VAL 8 3HG1 VAL 8 8.596 -7.697 7.809
53 H LEU 9 H LEU 9 9.366 -8.228 2.895
54 HA LEU 9 HA LEU 9 8.974 -5.828 1.453
55 1HB LEU 9 1HB LEU 9 9.486 -8.684 0.552
56 2HB LEU 9 2HB LEU 9 9.541 -7.301 -0.545
57 HG LEU 9 HG LEU 9 11.305 -7.486 1.939
58 1HD1 LEU 9 1HD1 LEU 9 11.940 -8.289 -0.930
59 2HD1 LEU 9 2HD1 LEU 9 13.099 -8.217 0.415
60 3HD1 LEU 9 3HD1 LEU 9 11.776 -9.394 0.451
61 1HD2 LEU 9 1HD2 LEU 9 11.458 -5.778 -0.585
62 2HD2 LEU 9 2HD2 LEU 9 11.068 -5.198 1.049
63 3HD2 LEU 9 3HD2 LEU 9 12.680 -5.831 0.701
64 H GLY 10 H GLY 10 7.016 -8.816 1.569
65 1HA GLY 10 1HA GLY 10 5.157 -8.220 -0.471
66 2HA GLY 10 2HA GLY 10 4.893 -9.272 0.930
67 H LYS 11 H LYS 11 5.076 -7.520 3.067
68 HA LYS 11 HA LYS 11 2.490 -6.314 3.073
69 1HB LYS 11 1HB LYS 11 4.846 -6.204 4.986
70 2HB LYS 11 2HB LYS 11 3.309 -5.412 5.322
71 1HG LYS 11 1HG LYS 11 3.497 -8.375 4.663
72 2HG LYS 11 2HG LYS 11 3.707 -7.785 6.307
73 1HD LYS 11 1HD LYS 11 1.208 -6.976 4.793
74 2HD LYS 11 2HD LYS 11 1.368 -8.626 5.395
75 1HE LYS 11 1HE LYS 11 0.172 -7.298 7.012
76 2HE LYS 11 2HE LYS 11 1.722 -7.820 7.688
77 1HZ LYS 11 1HZ LYS 11 1.163 -5.171 6.552
78 2HZ LYS 11 2HZ LYS 11 1.213 -5.535 8.160
79 3HZ LYS 11 3HZ LYS 11 2.580 -5.651 7.249
80 H LEU 12 H LEU 12 5.793 -4.938 2.770
81 HA LEU 12 HA LEU 12 4.985 -2.191 2.817
82 1HB LEU 12 1HB LEU 12 7.391 -3.610 1.619
83 2HB LEU 12 2HB LEU 12 7.231 -1.852 1.679
84 HG LEU 12 HG LEU 12 7.138 -3.600 4.170
85 1HD1 LEU 12 1HD1 LEU 12 9.309 -3.882 3.032
86 2HD1 LEU 12 2HD1 LEU 12 9.503 -2.118 2.947
87 3HD1 LEU 12 3HD1 LEU 12 9.492 -2.940 4.522
88 1HD2 LEU 12 1HD2 LEU 12 7.578 -0.607 3.768
89 2HD2 LEU 12 2HD2 LEU 12 6.153 -1.367 4.510
90 3HD2 LEU 12 3HD2 LEU 12 7.721 -1.467 5.314
91 H SER 13 H SER 13 5.487 -4.524 0.149
92 HA SER 13 HA SER 13 4.945 -2.736 -1.994
93 1HB SER 13 1HB SER 13 6.055 -4.907 -2.279
94 2HB SER 13 2HB SER 13 4.564 -5.755 -1.816
95 HG SER 13 HG SER 13 4.816 -5.571 -4.079
96 H GLN 14 H GLN 14 2.815 -4.923 -0.109
97 HA GLN 14 HA GLN 14 0.400 -4.473 -1.500
98 1HB GLN 14 1HB GLN 14 0.783 -6.311 0.073
99 2HB GLN 14 2HB GLN 14 0.900 -5.170 1.424
100 1HG GLN 14 1HG GLN 14 -1.454 -4.470 1.032
101 2HG GLN 14 2HG GLN 14 -1.562 -5.609 -0.321
102 1HE2 GLN 14 2HE2 GLN 14 -1.067 -7.966 0.241
103 2HE2 GLN 14 1HE2 GLN 14 -1.618 -8.548 1.797
104 H GLU 15 H GLU 15 1.774 -2.851 1.405
105 HA GLU 15 HA GLU 15 -0.313 -1.004 1.849
106 1HB GLU 15 1HB GLU 15 1.376 -1.530 3.506
107 2HB GLU 15 2HB GLU 15 2.662 -0.866 2.483
108 1HG GLU 15 1HG GLU 15 1.713 1.385 2.669
109 2HG GLU 15 2HG GLU 15 0.307 0.751 3.542
110 H LEU 16 H LEU 16 2.704 -0.713 -0.098
111 HA LEU 16 HA LEU 16 2.425 1.993 -0.764
112 1HB LEU 16 1HB LEU 16 4.510 0.747 -0.980
113 2HB LEU 16 2HB LEU 16 3.793 -0.318 -2.195
114 HG LEU 16 HG LEU 16 3.582 1.577 -3.764
115 1HD1 LEU 16 1HD1 LEU 16 4.965 3.167 -1.550
116 2HD1 LEU 16 2HD1 LEU 16 4.807 3.709 -3.233
117 3HD1 LEU 16 3HD1 LEU 16 3.359 3.482 -2.247
118 1HD2 LEU 16 1HD2 LEU 16 5.598 0.156 -3.767
119 2HD2 LEU 16 2HD2 LEU 16 5.984 1.824 -4.230
120 3HD2 LEU 16 3HD2 LEU 16 6.375 1.245 -2.596
121 H HIS 17 H HIS 17 1.360 -0.961 -2.521
122 HA HIS 17 HA HIS 17 0.198 0.377 -4.755
123 1HB HIS 17 1HB HIS 17 0.832 -1.980 -4.782
124 2HB HIS 17 2HB HIS 17 -0.332 -2.348 -3.503
125 HD1 HIS 17 HD1 HIS 17 -2.812 -2.598 -4.145
126 HD2 HIS 17 HD2 HIS 17 -0.365 -1.463 -7.354
127 HE1 HIS 17 HE1 HIS 17 -4.198 -2.805 -6.266
128 H LYS 18 H LYS 18 -1.182 -0.777 -1.655
129 HA LYS 18 HA LYS 18 -3.895 -0.292 -2.234
130 1HB LYS 18 1HB LYS 18 -3.153 -1.757 -0.461
131 2HB LYS 18 2HB LYS 18 -2.375 -0.409 0.393
132 1HG LYS 18 1HG LYS 18 -4.542 0.616 0.857
133 2HG LYS 18 2HG LYS 18 -5.360 -0.547 -0.196
134 1HD LYS 18 1HD LYS 18 -5.654 -1.088 2.194
135 2HD LYS 18 2HD LYS 18 -4.856 -2.385 1.296
136 1HE LYS 18 1HE LYS 18 -3.857 -2.015 3.531
137 2HE LYS 18 2HE LYS 18 -2.682 -1.780 2.235
138 1HZ LYS 18 1HZ LYS 18 -4.124 0.349 3.656
139 2HZ LYS 18 2HZ LYS 18 -2.547 -0.077 3.889
140 3HZ LYS 18 3HZ LYS 18 -3.020 0.579 2.453
141 H LEU 19 H LEU 19 -1.597 1.720 -0.298
142 HA LEU 19 HA LEU 19 -3.467 3.922 -0.063
143 1HB LEU 19 1HB LEU 19 -0.479 3.794 0.480
144 2HB LEU 19 2HB LEU 19 -1.591 5.082 0.974
145 HG LEU 19 HG LEU 19 -1.650 2.184 1.922
146 1HD1 LEU 19 1HD1 LEU 19 0.260 3.514 2.772
147 2HD1 LEU 19 2HD1 LEU 19 -0.870 4.750 3.364
148 3HD1 LEU 19 3HD1 LEU 19 -0.892 3.116 4.060
149 1HD2 LEU 19 1HD2 LEU 19 -3.372 4.575 2.718
150 2HD2 LEU 19 2HD2 LEU 19 -3.933 3.061 1.967
151 3HD2 LEU 19 3HD2 LEU 19 -3.294 3.044 3.613
152 H GLN 20 H GLN 20 -0.236 3.790 -1.601
153 HA GLN 20 HA GLN 20 0.628 4.597 -3.465
154 1HB GLN 20 1HB GLN 20 -1.251 3.432 -4.517
155 2HB GLN 20 2HB GLN 20 -2.206 4.915 -4.538
156 1HG GLN 20 1HG GLN 20 0.508 4.558 -5.881
157 2HG GLN 20 2HG GLN 20 -1.046 4.339 -6.688
158 1HE2 GLN 20 2HE2 GLN 20 1.380 6.475 -6.572
159 2HE2 GLN 20 1HE2 GLN 20 0.507 7.979 -6.770
160 H THR 21 H THR 21 -2.252 6.726 -2.999
161 HA THR 21 HA THR 21 -0.863 9.052 -3.834
162 HB THR 21 HB THR 21 -3.281 8.769 -3.992
163 HG1 THR 21 HG1 THR 21 -2.452 10.963 -2.407
164 1HG2 THR 21 1HG2 THR 21 -3.730 7.708 -1.750
165 2HG2 THR 21 2HG2 THR 21 -3.426 9.286 -0.988
166 3HG2 THR 21 3HG2 THR 21 -4.771 9.092 -2.119
167 H TYR 22 H TYR 22 -1.516 7.735 -0.550
168 HA TYR 22 HA TYR 22 -0.471 9.997 0.827
169 1HB TYR 22 1HB TYR 22 -2.031 8.547 1.886
170 2HB TYR 22 2HB TYR 22 -0.965 7.165 1.766
171 HD1 TYR 22 HD1 TYR 22 -1.350 10.542 3.319
172 HD2 TYR 22 HD2 TYR 22 0.745 6.773 3.443
173 HE1 TYR 22 HE1 TYR 22 -0.317 11.182 5.478
174 HE2 TYR 22 HE2 TYR 22 1.775 7.417 5.596
175 HH TYR 22 HH TYR 22 1.104 10.563 7.178
176 HA PRO 23 HA PRO 23 3.716 7.730 1.259
177 1HB PRO 23 1HB PRO 23 4.304 5.468 -0.156
178 2HB PRO 23 2HB PRO 23 3.437 5.422 1.407
179 1HG PRO 23 1HG PRO 23 2.201 5.433 -1.368
180 2HG PRO 23 2HG PRO 23 1.909 4.255 -0.050
181 1HD PRO 23 1HD PRO 23 0.239 6.314 -0.393
182 2HD PRO 23 2HD PRO 23 0.774 5.871 1.253
183 H ARG 24 H ARG 24 5.654 7.902 -0.076
184 HA ARG 24 HA ARG 24 5.232 9.481 -2.505
185 1HB ARG 24 1HB ARG 24 7.763 8.627 -1.044
186 2HB ARG 24 2HB ARG 24 7.674 9.705 -2.452
187 1HG ARG 24 1HG ARG 24 6.230 11.269 -1.143
188 2HG ARG 24 2HG ARG 24 6.379 10.203 0.264
189 1HD ARG 24 1HD ARG 24 7.925 12.018 0.510
190 2HD ARG 24 2HD ARG 24 8.849 10.541 0.252
191 HE ARG 24 HE ARG 24 8.428 12.831 -1.615
192 1HH1 ARG 24 1HH2 ARG 24 10.102 9.712 -1.081
193 2HH1 ARG 24 2HH2 ARG 24 11.204 9.985 -2.410
194 1HH2 ARG 24 1HH1 ARG 24 9.898 13.120 -3.307
195 2HH2 ARG 24 2HH1 ARG 24 11.091 11.888 -3.659
196 H THR 25 H THR 25 4.279 7.931 -3.898
197 HA THR 25 HA THR 25 5.726 5.515 -4.680
198 HB THR 25 HB THR 25 3.318 6.883 -5.943
199 HG1 THR 25 HG1 THR 25 2.866 6.302 -3.838
200 1HG2 THR 25 1HG2 THR 25 4.373 4.018 -6.130
201 2HG2 THR 25 2HG2 THR 25 2.864 4.616 -6.848
202 3HG2 THR 25 3HG2 THR 25 4.420 5.214 -7.442
203 H ASP 26 H ASP 26 7.760 6.551 -5.144
204 HA ASP 26 HA ASP 26 7.960 8.645 -7.113
205 1HB ASP 26 1HB ASP 26 10.113 6.890 -5.871
206 2HB ASP 26 2HB ASP 26 10.372 8.408 -6.743
207 H VAL 27 H VAL 27 8.329 8.503 -9.258
208 HA VAL 27 HA VAL 27 8.189 6.038 -10.702
209 HB VAL 27 HB VAL 27 9.099 8.818 -11.568
210 1HG1 VAL 27 1HG1 VAL 27 8.274 6.387 -13.217
211 2HG1 VAL 27 2HG1 VAL 27 8.551 8.019 -13.858
212 3HG1 VAL 27 3HG1 VAL 27 9.896 7.111 -13.158
213 1HG2 VAL 27 1HG2 VAL 27 6.393 7.425 -11.776
214 2HG2 VAL 27 2HG2 VAL 27 6.772 8.820 -10.743
215 3HG2 VAL 27 3HG2 VAL 27 6.807 8.991 -12.501
216 H GLY 28 H GLY 28 10.894 8.353 -10.117
217 1HA GLY 28 1HA GLY 28 12.946 6.364 -10.837
218 2HA GLY 28 2HA GLY 28 13.182 8.040 -10.322
219 H ALA 29 H ALA 29 14.890 6.563 -9.117
220 HA ALA 29 HA ALA 29 13.951 5.225 -6.703
221 1HB ALA 29 1HB ALA 29 16.737 5.974 -7.673
222 2HB ALA 29 2HB ALA 29 16.361 4.955 -6.265
223 3HB ALA 29 3HB ALA 29 15.912 4.417 -7.896
224 H GLY 30 H GLY 30 12.911 6.670 -5.341
225 1HA GLY 30 1HA GLY 30 12.944 8.066 -3.503
226 2HA GLY 30 2HA GLY 30 14.583 8.604 -3.893
227 H THR 31 H THR 31 14.456 9.638 -6.372
228 HA THR 31 HA THR 31 12.836 12.036 -6.131
229 HB THR 31 HB THR 31 14.693 11.042 -8.330
230 HG1 THR 31 HG1 THR 31 15.701 11.424 -6.331
231 1HG2 THR 31 1HG2 THR 31 13.529 13.819 -7.822
232 2HG2 THR 31 2HG2 THR 31 14.759 13.412 -9.033
233 3HG2 THR 31 3HG2 THR 31 13.121 12.759 -9.192
234 HA PRO 32 HA PRO 32 9.592 9.973 -8.567
235 1HB PRO 32 1HB PRO 32 7.696 11.907 -8.628
236 2HB PRO 32 2HB PRO 32 8.173 11.114 -7.107
237 1HG PRO 32 1HG PRO 32 9.202 13.760 -8.171
238 2HG PRO 32 2HG PRO 32 8.527 13.419 -6.551
239 1HD PRO 32 1HD PRO 32 11.215 13.408 -7.051
240 2HD PRO 32 2HD PRO 32 10.475 12.270 -5.886
241 H1 NAG 300 H1 NAG 3 7.632 -14.440 3.173
242 H2 NAG 300 H2 NAG 3 6.979 -17.408 2.822
243 H3 NAG 300 H3 NAG 3 6.668 -15.095 0.872
244 H4 NAG 300 H4 NAG 3 4.566 -16.745 2.323
245 H5 NAG 300 H5 NAG 3 5.403 -13.823 2.665
246 1H6 NAG 300 1H6 NAG 3 2.975 -14.119 2.993
247 2H6 NAG 300 2H6 NAG 3 3.806 -13.788 4.521
248 1H8 NAG 300 1H8 NAG 3 11.387 -16.443 1.774
249 2H8 NAG 300 2H8 NAG 3 11.545 -18.205 1.938
250 3H8 NAG 300 3H8 NAG 3 10.771 -17.515 0.495
251 HN2 NAG 300 HN2 NAG 3 8.886 -15.928 1.106
252 HO4 NAG 300 HO4 NAG 3 3.165 -15.244 1.283
253 HO3 NAG 300 HO3 NAG 3 5.624 -16.765 -0.357
254 HO6 NAG 300 HO6 NAG 3 2.300 -15.517 4.678
255 1HN NH2 33 1HN NH2 33 11.073 11.091 -11.697
256 2HN NH2 33 2HN NH2 33 11.412 10.097 -10.295
Start of MODEL 10
1 1H CYS 1 1H CYS 1 3.938 -17.027 6.781
2 2H CYS 1 2H CYS 1 2.952 -16.579 8.025
3 3H CYS 1 3H CYS 1 2.751 -15.910 6.531
4 HA CYS 1 HA CYS 1 4.859 -14.872 6.631
5 1HB CYS 1 1HB CYS 1 2.764 -13.755 7.433
6 2HB CYS 1 2HB CYS 1 3.166 -14.254 9.072
7 H SER 2 H SER 2 5.894 -17.184 7.226
8 HA SER 2 HA SER 2 6.823 -17.455 9.969
9 1HB SER 2 1HB SER 2 7.530 -18.975 7.423
10 2HB SER 2 2HB SER 2 7.966 -19.442 9.080
11 HG SER 2 HG SER 2 5.338 -19.141 8.052
12 H ASN 3 H ASN 3 8.235 -16.583 6.795
13 HA ASN 3 HA ASN 3 10.942 -16.581 7.553
14 1HB ASN 3 1HB ASN 3 9.540 -14.957 5.395
15 2HB ASN 3 2HB ASN 3 11.280 -15.273 5.485
16 1HD2 ASN 3 1HD2 ASN 3 10.016 -15.863 3.214
17 H LEU 4 H LEU 4 8.549 -13.924 7.536
18 HA LEU 4 HA LEU 4 8.596 -11.774 8.171
19 1HB LEU 4 1HB LEU 4 10.906 -12.455 10.036
20 2HB LEU 4 2HB LEU 4 9.818 -11.071 10.125
21 HG LEU 4 HG LEU 4 9.037 -13.991 10.553
22 1HD1 LEU 4 1HD1 LEU 4 10.407 -13.034 12.366
23 2HD1 LEU 4 2HD1 LEU 4 9.283 -11.663 12.500
24 3HD1 LEU 4 3HD1 LEU 4 8.736 -13.308 12.891
25 1HD2 LEU 4 1HD2 LEU 4 7.376 -11.437 10.759
26 2HD2 LEU 4 2HD2 LEU 4 7.140 -12.771 9.607
27 3HD2 LEU 4 3HD2 LEU 4 6.864 -13.040 11.331
28 H SER 5 H SER 5 9.651 -12.274 5.815
29 HA SER 5 HA SER 5 11.631 -10.165 5.424
30 1HB SER 5 1HB SER 5 13.112 -12.057 5.948
31 2HB SER 5 2HB SER 5 12.292 -13.073 4.750
32 HG SER 5 HG SER 5 13.666 -10.643 4.231
33 H THR 6 H THR 6 10.380 -13.086 3.699
34 HA THR 6 HA THR 6 9.670 -11.682 1.293
35 HB THR 6 HB THR 6 8.388 -13.711 0.771
36 HG1 THR 6 HG1 THR 6 9.025 -14.437 3.431
37 1HG2 THR 6 1HG2 THR 6 10.850 -13.728 0.411
38 2HG2 THR 6 2HG2 THR 6 11.077 -14.429 2.028
39 3HG2 THR 6 3HG2 THR 6 10.204 -15.335 0.779
40 H CYS 7 H CYS 7 7.952 -12.611 4.278
41 HA CYS 7 HA CYS 7 5.365 -11.663 3.645
42 1HB CYS 7 1HB CYS 7 5.884 -13.167 5.500
43 2HB CYS 7 2HB CYS 7 6.819 -11.902 6.304
44 H VAL 8 H VAL 8 8.168 -10.053 5.231
45 HA VAL 8 HA VAL 8 6.854 -7.610 5.834
46 HB VAL 8 HB VAL 8 9.792 -8.311 5.465
47 1HG1 VAL 8 1HG2 VAL 8 8.521 -5.775 6.584
48 2HG1 VAL 8 2HG2 VAL 8 10.226 -6.229 6.788
49 3HG1 VAL 8 3HG2 VAL 8 9.597 -5.898 5.172
50 1HG2 VAL 8 1HG1 VAL 8 8.598 -9.478 7.328
51 2HG2 VAL 8 2HG1 VAL 8 9.806 -8.331 7.924
52 3HG2 VAL 8 3HG1 VAL 8 8.083 -7.905 7.962
53 H LEU 9 H LEU 9 9.009 -8.493 3.085
54 HA LEU 9 HA LEU 9 8.854 -6.038 1.692
55 1HB LEU 9 1HB LEU 9 9.307 -8.894 0.770
56 2HB LEU 9 2HB LEU 9 9.469 -7.505 -0.308
57 HG LEU 9 HG LEU 9 11.074 -7.740 2.274
58 1HD1 LEU 9 1HD1 LEU 9 11.565 -9.684 0.827
59 2HD1 LEU 9 2HD1 LEU 9 11.861 -8.593 -0.544
60 3HD1 LEU 9 3HD1 LEU 9 12.931 -8.557 0.875
61 1HD2 LEU 9 1HD2 LEU 9 11.449 -6.076 -0.256
62 2HD2 LEU 9 2HD2 LEU 9 10.969 -5.457 1.338
63 3HD2 LEU 9 3HD2 LEU 9 12.578 -6.148 1.111
64 H GLY 10 H GLY 10 6.818 -8.988 1.433
65 1HA GLY 10 1HA GLY 10 5.141 -8.148 -0.679
66 2HA GLY 10 2HA GLY 10 4.742 -9.326 0.582
67 H LYS 11 H LYS 11 4.838 -7.748 2.877
68 HA LYS 11 HA LYS 11 2.245 -6.637 2.923
69 1HB LYS 11 1HB LYS 11 3.298 -7.641 4.860
70 2HB LYS 11 2HB LYS 11 4.569 -6.405 4.862
71 1HG LYS 11 1HG LYS 11 2.920 -4.663 5.404
72 2HG LYS 11 2HG LYS 11 1.600 -5.824 5.222
73 1HD LYS 11 1HD LYS 11 2.133 -5.398 7.587
74 2HD LYS 11 2HD LYS 11 2.348 -7.096 7.148
75 1HE LYS 11 1HE LYS 11 4.140 -6.242 8.638
76 2HE LYS 11 2HE LYS 11 4.777 -6.844 7.106
77 1HZ LYS 11 1HZ LYS 11 4.288 -4.024 7.771
78 2HZ LYS 11 2HZ LYS 11 5.758 -4.771 7.745
79 3HZ LYS 11 3HZ LYS 11 4.907 -4.582 6.347
80 H LEU 12 H LEU 12 5.458 -4.950 3.151
81 HA LEU 12 HA LEU 12 4.254 -2.368 3.148
82 1HB LEU 12 1HB LEU 12 6.452 -1.459 3.041
83 2HB LEU 12 2HB LEU 12 6.372 -2.814 4.160
84 HG LEU 12 HG LEU 12 7.287 -4.188 2.054
85 1HD1 LEU 12 1HD1 LEU 12 7.308 -2.231 0.466
86 2HD1 LEU 12 2HD1 LEU 12 8.398 -1.381 1.571
87 3HD1 LEU 12 3HD1 LEU 12 8.926 -2.871 0.765
88 1HD2 LEU 12 1HD2 LEU 12 8.390 -3.964 4.253
89 2HD2 LEU 12 2HD2 LEU 12 9.562 -3.832 2.932
90 3HD2 LEU 12 3HD2 LEU 12 9.014 -2.371 3.782
91 H SER 13 H SER 13 5.427 -4.443 0.489
92 HA SER 13 HA SER 13 5.307 -2.490 -1.579
93 1HB SER 13 1HB SER 13 6.439 -4.628 -1.864
94 2HB SER 13 2HB SER 13 4.907 -5.510 -1.670
95 HG SER 13 HG SER 13 5.487 -3.604 -3.691
96 H GLN 14 H GLN 14 2.887 -4.907 -0.447
97 HA GLN 14 HA GLN 14 0.766 -4.144 -2.123
98 1HB GLN 14 1HB GLN 14 0.775 -6.233 -0.895
99 2HB GLN 14 2HB GLN 14 0.792 -5.387 0.656
100 1HG GLN 14 1HG GLN 14 -1.441 -6.291 0.083
101 2HG GLN 14 2HG GLN 14 -1.453 -4.545 0.327
102 1HE2 GLN 14 2HE2 GLN 14 -0.866 -6.869 -2.400
103 2HE2 GLN 14 1HE2 GLN 14 -1.862 -6.014 -3.558
104 H GLU 15 H GLU 15 1.696 -2.923 1.138
105 HA GLU 15 HA GLU 15 -0.539 -1.259 1.533
106 1HB GLU 15 1HB GLU 15 1.013 -1.888 3.320
107 2HB GLU 15 2HB GLU 15 2.322 -0.987 2.543
108 1HG GLU 15 1HG GLU 15 1.365 0.280 4.406
109 2HG GLU 15 2HG GLU 15 1.132 1.133 2.884
110 H LEU 16 H LEU 16 2.687 -0.494 0.109
111 HA LEU 16 HA LEU 16 2.200 2.232 -0.415
112 1HB LEU 16 1HB LEU 16 3.995 0.173 -1.737
113 2HB LEU 16 2HB LEU 16 4.016 1.873 -2.209
114 HG LEU 16 HG LEU 16 4.464 1.029 0.681
115 1HD1 LEU 16 1HD1 LEU 16 6.146 -0.102 -0.741
116 2HD1 LEU 16 2HD1 LEU 16 6.550 1.451 -1.502
117 3HD1 LEU 16 3HD1 LEU 16 6.881 1.188 0.224
118 1HD2 LEU 16 1HD2 LEU 16 5.206 3.536 -0.892
119 2HD2 LEU 16 2HD2 LEU 16 3.929 3.422 0.335
120 3HD2 LEU 16 3HD2 LEU 16 5.620 3.214 0.803
121 H HIS 17 H HIS 17 1.506 -0.674 -2.408
122 HA HIS 17 HA HIS 17 0.565 0.746 -4.709
123 1HB HIS 17 1HB HIS 17 -0.183 -2.030 -3.711
124 2HB HIS 17 2HB HIS 17 -0.449 -1.391 -5.334
125 HD1 HIS 17 HD1 HIS 17 2.653 -0.035 -5.116
126 HD2 HIS 17 HD2 HIS 17 1.441 -4.045 -4.967
127 HE1 HIS 17 HE1 HIS 17 4.657 -1.458 -5.762
128 H LYS 18 H LYS 18 -1.053 -0.510 -1.779
129 HA LYS 18 HA LYS 18 -3.716 -0.141 -2.574
130 1HB LYS 18 1HB LYS 18 -2.900 -1.535 -0.716
131 2HB LYS 18 2HB LYS 18 -2.542 -0.083 0.237
132 1HG LYS 18 1HG LYS 18 -4.970 0.549 0.072
133 2HG LYS 18 2HG LYS 18 -5.278 -0.979 -0.765
134 1HD LYS 18 1HD LYS 18 -4.251 -0.568 2.080
135 2HD LYS 18 2HD LYS 18 -5.841 -1.172 1.600
136 1HE LYS 18 1HE LYS 18 -3.162 -2.600 1.282
137 2HE LYS 18 2HE LYS 18 -4.487 -3.020 2.369
138 1HZ LYS 18 1HZ LYS 18 -5.846 -3.467 0.458
139 2HZ LYS 18 2HZ LYS 18 -4.599 -3.102 -0.559
140 3HZ LYS 18 3HZ LYS 18 -4.484 -4.398 0.451
141 H LEU 19 H LEU 19 -1.652 2.010 -0.514
142 HA LEU 19 HA LEU 19 -3.608 4.096 -0.407
143 1HB LEU 19 1HB LEU 19 -1.909 5.424 0.665
144 2HB LEU 19 2HB LEU 19 -1.954 3.782 1.294
145 HG LEU 19 HG LEU 19 0.035 3.343 -0.381
146 1HD1 LEU 19 1HD1 LEU 19 0.241 6.363 0.000
147 2HD1 LEU 19 2HD1 LEU 19 1.530 5.310 -0.614
148 3HD1 LEU 19 3HD1 LEU 19 0.059 5.528 -1.555
149 1HD2 LEU 19 1HD2 LEU 19 0.169 3.231 2.075
150 2HD2 LEU 19 2HD2 LEU 19 1.616 3.993 1.399
151 3HD2 LEU 19 3HD2 LEU 19 0.358 4.995 2.154
152 H GLN 20 H GLN 20 -1.441 3.181 -2.945
153 HA GLN 20 HA GLN 20 -1.456 5.826 -4.223
154 1HB GLN 20 1HB GLN 20 0.540 4.417 -4.238
155 2HB GLN 20 2HB GLN 20 -0.327 3.149 -5.120
156 1HG GLN 20 1HG GLN 20 -0.551 4.577 -7.070
157 2HG GLN 20 2HG GLN 20 -0.010 5.991 -6.148
158 1HE2 GLN 20 2HE2 GLN 20 1.128 2.636 -6.913
159 2HE2 GLN 20 1HE2 GLN 20 2.787 3.094 -7.233
160 H THR 21 H THR 21 -3.456 2.954 -4.169
161 HA THR 21 HA THR 21 -4.464 2.962 -6.793
162 HB THR 21 HB THR 21 -5.892 2.185 -4.213
163 HG1 THR 21 HG1 THR 21 -5.041 0.144 -4.708
164 1HG2 THR 21 1HG2 THR 21 -6.339 1.328 -7.103
165 2HG2 THR 21 2HG2 THR 21 -7.121 0.611 -5.679
166 3HG2 THR 21 3HG2 THR 21 -7.455 2.294 -6.111
167 H TYR 22 H TYR 22 -5.771 4.578 -3.837
168 HA TYR 22 HA TYR 22 -8.050 5.534 -5.227
169 1HB TYR 22 1HB TYR 22 -7.264 6.748 -2.597
170 2HB TYR 22 2HB TYR 22 -8.833 6.380 -3.265
171 HD1 TYR 22 HD1 TYR 22 -9.333 3.809 -3.719
172 HD2 TYR 22 HD2 TYR 22 -6.255 5.243 -1.059
173 HE1 TYR 22 HE1 TYR 22 -9.206 1.575 -2.656
174 HE2 TYR 22 HE2 TYR 22 -6.162 3.022 0.028
175 HH TYR 22 HH TYR 22 -8.206 0.278 -1.043
176 HA PRO 23 HA PRO 23 -5.701 9.825 -5.424
177 1HB PRO 23 1HB PRO 23 -2.906 8.704 -5.447
178 2HB PRO 23 2HB PRO 23 -3.478 10.287 -4.842
179 1HG PRO 23 1HG PRO 23 -2.886 8.326 -3.098
180 2HG PRO 23 2HG PRO 23 -4.391 9.271 -2.873
181 1HD PRO 23 1HD PRO 23 -4.081 6.587 -4.243
182 2HD PRO 23 2HD PRO 23 -5.198 7.033 -2.933
183 H ARG 24 H ARG 24 -4.414 6.767 -6.690
184 HA ARG 24 HA ARG 24 -4.326 5.846 -8.696
185 1HB ARG 24 1HB ARG 24 -6.471 7.020 -9.195
186 2HB ARG 24 2HB ARG 24 -5.552 8.343 -9.921
187 1HG ARG 24 1HG ARG 24 -4.460 6.552 -11.442
188 2HG ARG 24 2HG ARG 24 -5.692 5.444 -10.816
189 1HD ARG 24 1HD ARG 24 -6.472 6.374 -12.904
190 2HD ARG 24 2HD ARG 24 -7.448 7.082 -11.599
191 HE ARG 24 HE ARG 24 -5.166 8.733 -12.153
192 1HH1 ARG 24 1HH2 ARG 24 -8.301 7.842 -13.583
193 2HH1 ARG 24 2HH2 ARG 24 -8.455 9.349 -14.454
194 1HH2 ARG 24 1HH1 ARG 24 -5.398 10.682 -13.293
195 2HH2 ARG 24 2HH1 ARG 24 -6.807 10.963 -14.292
196 H THR 25 H THR 25 -3.681 9.276 -9.575
197 HA THR 25 HA THR 25 -1.329 8.437 -11.092
198 HB THR 25 HB THR 25 -2.535 11.209 -10.742
199 HG1 THR 25 HG1 THR 25 -3.646 10.665 -12.649
200 1HG2 THR 25 1HG2 THR 25 -0.838 9.961 -12.962
201 2HG2 THR 25 2HG2 THR 25 -1.524 11.597 -12.973
202 3HG2 THR 25 3HG2 THR 25 -0.262 11.178 -11.806
203 H ASP 26 H ASP 26 -0.442 7.695 -8.931
204 HA ASP 26 HA ASP 26 0.910 7.782 -7.197
205 1HB ASP 26 1HB ASP 26 2.422 8.329 -9.064
206 2HB ASP 26 2HB ASP 26 2.347 10.035 -8.646
207 H VAL 27 H VAL 27 1.408 11.234 -7.461
208 HA VAL 27 HA VAL 27 1.392 12.809 -5.949
209 HB VAL 27 HB VAL 27 -0.425 13.224 -7.392
210 1HG1 VAL 27 1HG1 VAL 27 -1.950 11.288 -6.767
211 2HG1 VAL 27 2HG1 VAL 27 -2.430 12.253 -5.344
212 3HG1 VAL 27 3HG1 VAL 27 -2.715 12.868 -6.969
213 1HG2 VAL 27 1HG2 VAL 27 0.176 14.862 -5.654
214 2HG2 VAL 27 2HG2 VAL 27 -1.546 14.938 -6.065
215 3HG2 VAL 27 3HG2 VAL 27 -1.032 14.156 -4.559
216 H GLY 28 H GLY 28 -1.293 10.941 -4.407
217 1HA GLY 28 1HA GLY 28 -0.142 11.436 -1.733
218 2HA GLY 28 2HA GLY 28 -1.660 10.622 -2.137
219 H ALA 29 H ALA 29 1.775 10.162 -3.082
220 HA ALA 29 HA ALA 29 2.096 7.616 -1.783
221 1HB ALA 29 1HB ALA 29 0.660 6.953 -3.733
222 2HB ALA 29 2HB ALA 29 1.876 7.627 -4.828
223 3HB ALA 29 3HB ALA 29 2.267 6.229 -3.802
224 H GLY 30 H GLY 30 4.195 6.707 -3.553
225 1HA GLY 30 1HA GLY 30 6.344 8.397 -2.635
226 2HA GLY 30 2HA GLY 30 6.455 6.919 -3.598
227 H THR 31 H THR 31 5.555 10.373 -3.843
228 HA THR 31 HA THR 31 5.687 10.543 -6.667
229 HB THR 31 HB THR 31 5.917 12.807 -4.646
230 HG1 THR 31 HG1 THR 31 4.066 11.503 -4.365
231 1HG2 THR 31 1HG2 THR 31 5.043 12.736 -7.564
232 2HG2 THR 31 2HG2 THR 31 4.922 14.133 -6.476
233 3HG2 THR 31 3HG2 THR 31 6.515 13.510 -6.932
234 HA PRO 32 HA PRO 32 10.164 12.323 -5.959
235 1HB PRO 32 1HB PRO 32 10.982 10.471 -3.718
236 2HB PRO 32 2HB PRO 32 11.572 12.121 -4.076
237 1HG PRO 32 1HG PRO 32 9.768 11.749 -2.098
238 2HG PRO 32 2HG PRO 32 9.513 13.080 -3.270
239 1HD PRO 32 1HD PRO 32 8.290 10.308 -3.310
240 2HD PRO 32 2HD PRO 32 7.473 11.891 -3.438
241 H1 NAG 300 H1 NAG 3 9.783 -18.852 3.173
242 H2 NAG 300 H2 NAG 3 8.428 -16.771 1.390
243 H3 NAG 300 H3 NAG 3 8.136 -19.796 1.539
244 H4 NAG 300 H4 NAG 3 9.268 -17.948 -0.602
245 H5 NAG 300 H5 NAG 3 10.716 -19.895 1.258
246 1H6 NAG 300 1H6 NAG 3 11.785 -19.711 -0.968
247 2H6 NAG 300 2H6 NAG 3 12.768 -18.962 0.309
248 1H8 NAG 300 1H8 NAG 3 4.875 -18.123 4.179
249 2H8 NAG 300 2H8 NAG 3 5.708 -18.796 5.597
250 3H8 NAG 300 3H8 NAG 3 5.934 -17.086 5.159
251 HN2 NAG 300 HN2 NAG 3 6.742 -16.734 2.870
252 HO4 NAG 300 HO4 NAG 3 9.175 -20.803 -0.360
253 HO3 NAG 300 HO3 NAG 3 6.795 -19.392 -0.318
254 HO6 NAG 300 HO6 NAG 3 12.598 -17.647 -1.563
255 1HN NH2 33 1HN NH2 33 12.000 9.741 -7.608
256 2HN NH2 33 2HN NH2 33 11.971 11.415 -7.096