Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
563758 | 2m9f RC | 19292 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -7.091 1.416 -1.869
2 H2 LYS 1 H2 LYS 1 -7.486 2.996 -2.141
3 H3 LYS 1 H3 LYS 1 -6.819 2.122 -3.335
4 HA LYS 1 HA LYS 1 -9.504 1.700 -2.206
5 HB2 LYS 1 HB2 LYS 1 -8.579 2.554 -4.978
6 HB3 LYS 1 HB3 LYS 1 -10.240 2.121 -4.555
7 HG2 LYS 1 HG2 LYS 1 -10.385 3.916 -2.927
8 HG3 LYS 1 HG3 LYS 1 -8.694 4.349 -3.142
9 HD2 LYS 1 HD2 LYS 1 -10.845 4.553 -5.288
10 HD3 LYS 1 HD3 LYS 1 -10.275 5.888 -4.295
11 HE2 LYS 1 HE2 LYS 1 -8.609 4.318 -6.313
12 HE3 LYS 1 HE3 LYS 1 -9.280 5.938 -6.534
13 HZ1 LYS 1 HZ1 LYS 1 -7.152 5.117 -4.638
14 HZ2 LYS 1 HZ2 LYS 1 -7.018 6.161 -5.885
15 HZ3 LYS 1 HZ3 LYS 1 -7.895 6.596 -4.557
16 H LEU 2 H LEU 2 -7.194 0.504 -4.669
17 HA LEU 2 HA LEU 2 -6.447 -1.469 -5.200
18 HB2 LEU 2 HB2 LEU 2 -7.999 -2.647 -2.889
19 HB3 LEU 2 HB3 LEU 2 -6.716 -3.411 -3.786
20 HG LEU 2 HG LEU 2 -6.468 -1.009 -1.940
21 HD11 LEU 2 HD11 LEU 2 -5.204 -3.776 -1.887
22 HD12 LEU 2 HD12 LEU 2 -5.034 -2.510 -0.665
23 HD13 LEU 2 HD13 LEU 2 -6.609 -3.283 -0.921
24 HD21 LEU 2 HD21 LEU 2 -4.051 -1.095 -2.393
25 HD22 LEU 2 HD22 LEU 2 -4.325 -2.256 -3.709
26 HD23 LEU 2 HD23 LEU 2 -4.944 -0.590 -3.812
27 HA PRO 3 HA PRO 3 -9.681 -3.358 -7.744
28 HB2 PRO 3 HB2 PRO 3 -7.309 -4.466 -9.192
29 HB3 PRO 3 HB3 PRO 3 -8.708 -3.575 -9.845
30 HG2 PRO 3 HG2 PRO 3 -6.243 -2.411 -9.628
31 HG3 PRO 3 HG3 PRO 3 -7.755 -1.492 -9.338
32 HD2 PRO 3 HD2 PRO 3 -5.878 -2.694 -7.297
33 HD3 PRO 3 HD3 PRO 3 -6.686 -1.101 -7.312
34 HA PRO 4 HA PRO 4 -9.684 -7.661 -6.391
35 HB2 PRO 4 HB2 PRO 4 -9.405 -8.509 -9.282
36 HB3 PRO 4 HB3 PRO 4 -10.497 -9.159 -8.018
37 HG2 PRO 4 HG2 PRO 4 -11.449 -7.409 -9.844
38 HG3 PRO 4 HG3 PRO 4 -11.883 -7.205 -8.114
39 HD2 PRO 4 HD2 PRO 4 -9.773 -5.742 -9.711
40 HD3 PRO 4 HD3 PRO 4 -10.961 -5.086 -8.541
41 H GLY 5 H GLY 5 -8.119 -8.842 -5.460
42 HA2 GLY 5 HA2 GLY 5 -6.322 -10.295 -5.329
43 HA3 GLY 5 HA3 GLY 5 -5.818 -9.840 -6.956
44 H TRP 6 H TRP 6 -6.083 -6.867 -5.510
45 HA TRP 6 HA TRP 6 -3.217 -6.697 -4.907
46 HB2 TRP 6 HB2 TRP 6 -5.466 -4.678 -5.059
47 HB3 TRP 6 HB3 TRP 6 -3.793 -4.293 -4.704
48 HD1 TRP 6 HD1 TRP 6 -5.946 -5.665 -7.579
49 HE1 TRP 6 HE1 TRP 6 -4.897 -4.977 -9.821
50 HE3 TRP 6 HE3 TRP 6 -1.586 -3.635 -5.838
51 HZ2 TRP 6 HZ2 TRP 6 -2.507 -3.669 -10.737
52 HZ3 TRP 6 HZ3 TRP 6 0.072 -2.735 -7.425
53 HH2 TRP 6 HH2 TRP 6 -0.375 -2.702 -9.863
54 H GLU 7 H GLU 7 -2.360 -6.669 -2.858
55 HA GLU 7 HA GLU 7 -4.085 -5.969 -0.546
56 HB2 GLU 7 HB2 GLU 7 -4.158 -8.457 -1.270
57 HB3 GLU 7 HB3 GLU 7 -2.518 -8.560 -0.686
58 HG2 GLU 7 HG2 GLU 7 -4.951 -7.701 0.956
59 HG3 GLU 7 HG3 GLU 7 -4.350 -9.356 0.867
60 H LYS 8 H LYS 8 -2.673 -5.786 1.547
61 HA LYS 8 HA LYS 8 -0.695 -3.779 0.929
62 HB2 LYS 8 HB2 LYS 8 -2.482 -3.809 2.741
63 HB3 LYS 8 HB3 LYS 8 -1.522 -5.020 3.585
64 HG2 LYS 8 HG2 LYS 8 0.349 -3.387 3.786
65 HG3 LYS 8 HG3 LYS 8 -0.600 -2.186 2.893
66 HD2 LYS 8 HD2 LYS 8 -2.372 -2.318 4.695
67 HD3 LYS 8 HD3 LYS 8 -1.353 -3.482 5.551
68 HE2 LYS 8 HE2 LYS 8 -0.829 -1.504 6.643
69 HE3 LYS 8 HE3 LYS 8 0.491 -1.667 5.474
70 HZ1 LYS 8 HZ1 LYS 8 -0.901 -0.141 4.011
71 HZ2 LYS 8 HZ2 LYS 8 -1.892 0.118 5.279
72 HZ3 LYS 8 HZ3 LYS 8 -0.329 0.565 5.393
73 H ARG 9 H ARG 9 1.468 -3.727 1.237
74 HA ARG 9 HA ARG 9 2.977 -5.943 2.501
75 HB2 ARG 9 HB2 ARG 9 3.602 -4.715 -0.199
76 HB3 ARG 9 HB3 ARG 9 4.587 -5.930 0.612
77 HG2 ARG 9 HG2 ARG 9 1.906 -6.318 -0.717
78 HG3 ARG 9 HG3 ARG 9 3.476 -6.876 -1.248
79 HD2 ARG 9 HD2 ARG 9 3.338 -8.784 -0.172
80 HD3 ARG 9 HD3 ARG 9 3.162 -7.955 1.364
81 HE ARG 9 HE ARG 9 0.796 -8.042 1.216
82 HH11 ARG 9 HH21 ARG 9 2.143 -9.774 -1.562
83 HH12 ARG 9 HH22 ARG 9 0.673 -10.733 -1.719
84 HH21 ARG 9 HH11 ARG 9 -0.982 -9.414 0.950
85 HH22 ARG 9 HH12 ARG 9 -0.993 -10.467 -0.468
86 H MET 10 H MET 10 5.464 -5.174 2.417
87 HA MET 10 HA MET 10 5.865 -2.324 2.379
88 HB2 MET 10 HB2 MET 10 6.553 -1.998 4.626
89 HB3 MET 10 HB3 MET 10 4.963 -2.739 4.680
90 HG2 MET 10 HG2 MET 10 6.031 -3.906 6.329
91 HG3 MET 10 HG3 MET 10 6.287 -4.992 4.965
92 HE1 MET 10 HE1 MET 10 8.211 -6.298 6.127
93 HE2 MET 10 HE2 MET 10 9.564 -5.532 6.991
94 HE3 MET 10 HE3 MET 10 7.903 -5.342 7.599
95 H PHE 11 H PHE 11 7.902 -1.762 1.997
96 HA PHE 11 HA PHE 11 9.939 -3.748 1.281
97 HB2 PHE 11 HB2 PHE 11 9.815 -0.704 1.167
98 HB3 PHE 11 HB3 PHE 11 11.152 -1.689 0.606
99 HD1 PHE 11 HD1 PHE 11 10.601 -3.569 -1.156
100 HD2 PHE 11 HD2 PHE 11 8.247 0.001 -0.502
101 HE1 PHE 11 HE1 PHE 11 9.694 -3.739 -3.455
102 HE2 PHE 11 HE2 PHE 11 7.414 -0.157 -2.834
103 HZ PHE 11 HZ PHE 11 8.106 -2.017 -4.294
104 H ALA 12 H ALA 12 11.632 -4.274 2.648
105 HA ALA 12 HA ALA 12 11.588 -3.631 5.362
106 HB1 ALA 12 HB1 ALA 12 13.888 -4.684 3.658
107 HB2 ALA 12 HB2 ALA 12 13.751 -4.812 5.425
108 HB3 ALA 12 HB3 ALA 12 12.588 -5.659 4.388
109 H ASN 13 H ASN 13 13.276 -1.857 2.774
110 HA ASN 13 HA ASN 13 14.801 -0.166 4.559
111 HB2 ASN 13 HB2 ASN 13 15.167 1.143 2.439
112 HB3 ASN 13 HB3 ASN 13 15.676 -0.536 2.384
113 HD21 ASN 13 HD21 ASN 13 14.108 1.818 0.608
114 H GLY 14 H GLY 14 11.513 -0.382 4.374
115 HA2 GLY 14 HA2 GLY 14 10.194 0.893 5.765
116 HA3 GLY 14 HA3 GLY 14 11.283 2.270 5.613
117 H THR 15 H THR 15 9.105 0.319 3.340
118 HA THR 15 HA THR 15 7.526 2.772 2.998
119 HB THR 15 HB THR 15 9.132 1.646 0.693
120 HG1 THR 15 HG1 THR 15 9.526 3.556 2.383
121 HG21 THR 15 HG21 THR 15 6.837 2.098 -0.162
122 HG22 THR 15 HG22 THR 15 6.884 3.709 0.597
123 HG23 THR 15 HG23 THR 15 8.000 3.317 -0.725
124 H VAL 16 H VAL 16 5.404 2.325 2.673
125 HA VAL 16 HA VAL 16 4.632 -0.538 2.512
126 HB VAL 16 HB VAL 16 3.358 2.004 3.526
127 HG11 VAL 16 HG11 VAL 16 1.791 -0.557 2.983
128 HG12 VAL 16 HG12 VAL 16 1.247 0.860 3.922
129 HG13 VAL 16 HG13 VAL 16 1.527 1.021 2.198
130 HG21 VAL 16 HG21 VAL 16 3.046 0.644 5.537
131 HG22 VAL 16 HG22 VAL 16 3.584 -0.813 4.673
132 HG23 VAL 16 HG23 VAL 16 4.731 0.505 5.009
133 H TYR 17 H TYR 17 3.294 -1.358 0.965
134 HA TYR 17 HA TYR 17 2.205 0.341 -1.153
135 HB2 TYR 17 HB2 TYR 17 3.302 -0.860 -2.975
136 HB3 TYR 17 HB3 TYR 17 4.487 -0.073 -1.964
137 HD1 TYR 17 HD1 TYR 17 5.886 -1.336 -0.406
138 HD2 TYR 17 HD2 TYR 17 3.290 -3.359 -3.203
139 HE1 TYR 17 HE1 TYR 17 7.247 -3.389 -0.181
140 HE2 TYR 17 HE2 TYR 17 4.643 -5.431 -2.943
141 HH TYR 17 HH TYR 17 7.517 -5.572 -0.845
142 H TYR 18 H TYR 18 1.135 -1.207 -2.835
143 HA TYR 18 HA TYR 18 -0.109 -3.527 -1.470
144 HB2 TYR 18 HB2 TYR 18 -1.408 -1.475 -3.297
145 HB3 TYR 18 HB3 TYR 18 -2.189 -2.886 -2.571
146 HD1 TYR 18 HD1 TYR 18 -0.624 0.421 -1.853
147 HD2 TYR 18 HD2 TYR 18 -2.832 -2.897 -0.212
148 HE1 TYR 18 HE1 TYR 18 -0.715 1.571 0.328
149 HE2 TYR 18 HE2 TYR 18 -3.091 -1.664 1.922
150 HH TYR 18 HH TYR 18 -2.805 0.352 3.003
151 H PHE 19 H PHE 19 -0.104 -5.360 -2.539
152 HA PHE 19 HA PHE 19 1.272 -5.502 -5.173
153 HB2 PHE 19 HB2 PHE 19 2.569 -6.103 -3.190
154 HB3 PHE 19 HB3 PHE 19 1.355 -7.291 -2.734
155 HD1 PHE 19 HD2 PHE 19 4.159 -6.539 -5.014
156 HD2 PHE 19 HD1 PHE 19 1.146 -9.417 -3.933
157 HE1 PHE 19 HE2 PHE 19 5.452 -8.307 -6.153
158 HE2 PHE 19 HE1 PHE 19 2.485 -11.218 -5.042
159 HZ PHE 19 HZ PHE 19 4.629 -10.663 -6.138
160 H ASN 20 H ASN 20 0.235 -6.556 -6.737
161 HA ASN 20 HA ASN 20 -2.283 -7.971 -6.256
162 HB2 ASN 20 HB2 ASN 20 -1.907 -6.436 -8.206
163 HB3 ASN 20 HB3 ASN 20 -0.706 -7.555 -8.808
164 HD21 ASN 20 HD22 ASN 20 -4.169 -7.041 -8.238
165 HD22 ASN 20 HD21 ASN 20 -4.709 -8.476 -9.062
166 H HIS 21 H HIS 21 -1.759 -9.837 -5.048
167 HA HIS 21 HA HIS 21 0.395 -11.581 -5.975
168 HB2 HIS 21 HB2 HIS 21 -0.386 -13.126 -4.152
169 HB3 HIS 21 HB3 HIS 21 0.224 -11.559 -3.699
170 HD2 HIS 21 HD2 HIS 21 -3.462 -12.449 -4.646
171 HE1 HIS 21 HE1 HIS 21 -3.412 -10.970 -0.651
172 HE2 HIS 21 HE2 HIS 21 -4.902 -11.778 -2.544
173 H ILE 22 H ILE 22 -1.864 -11.036 -7.886
174 HA ILE 22 HA ILE 22 -2.250 -13.886 -8.685
175 HB ILE 22 HB ILE 22 -3.898 -11.468 -9.525
176 HG12 ILE 22 HG12 ILE 22 -4.546 -13.714 -7.563
177 HG13 ILE 22 HG13 ILE 22 -4.329 -12.009 -7.169
178 HG21 ILE 22 HG21 ILE 22 -3.797 -13.195 -11.282
179 HG22 ILE 22 HG22 ILE 22 -4.273 -14.438 -10.106
180 HG23 ILE 22 HG23 ILE 22 -5.393 -13.141 -10.581
181 HD11 ILE 22 HD11 ILE 22 -6.656 -12.406 -7.138
182 HD12 ILE 22 HD12 ILE 22 -6.330 -11.472 -8.613
183 HD13 ILE 22 HD13 ILE 22 -6.639 -13.225 -8.702
184 H THR 23 H THR 23 -0.705 -10.846 -9.374
185 HA THR 23 HA THR 23 0.345 -11.888 -11.988
186 HB THR 23 HB THR 23 0.344 -9.543 -12.776
187 HG1 THR 23 HG1 THR 23 -1.257 -9.039 -10.502
188 HG21 THR 23 HG21 THR 23 -1.600 -10.960 -13.349
189 HG22 THR 23 HG22 THR 23 -2.439 -10.420 -11.882
190 HG23 THR 23 HG23 THR 23 -2.044 -9.252 -13.161
191 H ASN 24 H ASN 24 1.112 -10.325 -8.950
192 HA ASN 24 HA ASN 24 2.961 -9.802 -7.930
193 HB2 ASN 24 HB2 ASN 24 4.679 -10.233 -10.391
194 HB3 ASN 24 HB3 ASN 24 5.201 -10.081 -8.726
195 HD21 ASN 24 HD22 ASN 24 3.713 -12.206 -11.072
196 HD22 ASN 24 HD21 ASN 24 3.943 -13.682 -10.108
197 H ALA 25 H ALA 25 1.320 -7.981 -10.055
198 HA ALA 25 HA ALA 25 3.110 -5.750 -10.409
199 HB1 ALA 25 HB1 ALA 25 0.069 -5.798 -10.182
200 HB2 ALA 25 HB2 ALA 25 1.062 -4.503 -10.883
201 HB3 ALA 25 HB3 ALA 25 0.993 -6.089 -11.672
202 H SER 26 H SER 26 3.244 -3.743 -9.172
203 HA SER 26 HA SER 26 2.231 -3.805 -6.378
204 HB2 SER 26 HB2 SER 26 4.450 -3.143 -5.560
205 HB3 SER 26 HB3 SER 26 4.504 -4.744 -6.308
206 HG SER 26 HG SER 26 5.015 -2.388 -7.797
207 H GLN 27 H GLN 27 1.479 -1.847 -5.688
208 HA GLN 27 HA GLN 27 2.449 0.659 -6.927
209 HB2 GLN 27 HB2 GLN 27 0.582 -0.316 -8.326
210 HB3 GLN 27 HB3 GLN 27 -0.480 -0.202 -6.918
211 HG2 GLN 27 HG2 GLN 27 -0.281 2.250 -6.949
212 HG3 GLN 27 HG3 GLN 27 0.947 2.162 -8.222
213 HE21 GLN 27 HE22 GLN 27 -2.486 0.859 -7.697
214 HE22 GLN 27 HE21 GLN 27 -2.909 1.341 -9.335
215 H PHE 28 H PHE 28 1.901 2.552 -5.663
216 HA PHE 28 HA PHE 28 1.641 2.016 -2.820
217 HB2 PHE 28 HB2 PHE 28 2.012 4.625 -4.321
218 HB3 PHE 28 HB3 PHE 28 2.270 4.351 -2.598
219 HD1 PHE 28 HD2 PHE 28 3.925 2.363 -1.986
220 HD2 PHE 28 HD1 PHE 28 3.924 4.488 -5.736
221 HE1 PHE 28 HE2 PHE 28 6.247 1.672 -2.365
222 HE2 PHE 28 HE1 PHE 28 6.268 3.778 -6.129
223 HZ PHE 28 HZ PHE 28 7.447 2.366 -4.448
224 H GLU 29 H GLU 29 -0.776 2.153 -4.954
225 HA GLU 29 HA GLU 29 -2.543 4.224 -4.073
226 HB2 GLU 29 HB2 GLU 29 -2.468 2.905 -6.257
227 HB3 GLU 29 HB3 GLU 29 -3.290 1.592 -5.434
228 HG2 GLU 29 HG2 GLU 29 -4.317 4.453 -5.751
229 HG3 GLU 29 HG3 GLU 29 -4.735 3.113 -6.814
230 H ARG 30 H ARG 30 -3.280 4.351 -1.989
231 HA ARG 30 HA ARG 30 -3.481 1.910 -0.408
232 HB2 ARG 30 HB2 ARG 30 -2.058 3.558 0.428
233 HB3 ARG 30 HB3 ARG 30 -3.241 4.855 0.221
234 HG2 ARG 30 HG2 ARG 30 -4.528 4.183 2.030
235 HG3 ARG 30 HG3 ARG 30 -3.826 2.556 2.092
236 HD2 ARG 30 HD2 ARG 30 -1.660 3.628 2.817
237 HD3 ARG 30 HD3 ARG 30 -2.545 5.154 2.994
238 HE ARG 30 HE ARG 30 -2.772 2.704 4.663
239 HH11 ARG 30 HH11 ARG 30 -4.681 5.520 3.815
240 HH12 ARG 30 HH12 ARG 30 -5.669 5.323 5.248
241 HH21 ARG 30 HH21 ARG 30 -3.966 2.487 6.209
242 HH22 ARG 30 HH22 ARG 30 -5.440 3.384 6.442
243 HA PRO 31 HA PRO 31 -8.028 2.208 0.144
244 HB2 PRO 31 HB2 PRO 31 -8.437 -0.107 1.460
245 HB3 PRO 31 HB3 PRO 31 -7.843 -0.134 -0.217
246 HG2 PRO 31 HG2 PRO 31 -6.181 -0.329 2.325
247 HG3 PRO 31 HG3 PRO 31 -6.178 -1.434 0.932
248 HD2 PRO 31 HD2 PRO 31 -4.427 0.665 1.237
249 HD3 PRO 31 HD3 PRO 31 -4.940 0.087 -0.372
250 H SER 32 H SER 32 -9.089 1.220 2.745
251 HA SER 32 HA SER 32 -8.554 3.407 4.499
252 HB2 SER 32 HB2 SER 32 -9.821 1.930 6.115
253 HB3 SER 32 HB3 SER 32 -10.659 2.275 4.588
254 HG SER 32 HG SER 32 -10.667 0.018 5.234
255 H GLY 33 H GLY 33 -6.884 0.374 4.016
256 HA2 GLY 33 HA2 GLY 33 -5.424 0.514 6.608
257 HA3 GLY 33 HA3 GLY 33 -5.623 -0.906 5.585
258 H1 NAG 101 H1 NAG 34 11.768 0.398 -0.028
259 H2 NAG 101 H2 NAG 34 13.016 2.788 -1.492
260 H3 NAG 101 H3 NAG 34 10.172 1.681 -1.355
261 H4 NAG 101 H4 NAG 34 12.156 1.867 -3.679
262 H5 NAG 101 H5 NAG 34 11.054 -0.518 -2.131
263 H61 NAG 101 H61 NAG 34 12.636 -1.925 -3.351
264 H62 NAG 101 H62 NAG 34 11.500 -1.165 -4.471
265 H81 NAG 101 H2M NAG 34 11.409 5.365 1.540
266 H82 NAG 101 H3M NAG 34 13.055 5.543 2.175
267 H83 NAG 101 H1M NAG 34 11.983 4.304 2.853
268 HN2 NAG 101 H2N NAG 34 10.878 3.371 0.373
269 HO3 NAG 101 H3O NAG 34 9.942 3.290 -3.106
270 HO4 NAG 101 H4O NAG 34 10.449 0.842 -4.790
271 HO6 NAG 101 H6O NAG 34 14.113 -0.202 -3.808
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -12.065 -7.012 2.931
2 H2 LYS 1 H2 LYS 1 -10.806 -7.246 1.894
3 H3 LYS 1 H3 LYS 1 -12.147 -6.453 1.384
4 HA LYS 1 HA LYS 1 -11.765 -4.639 2.861
5 HB2 LYS 1 HB2 LYS 1 -10.648 -5.864 4.662
6 HB3 LYS 1 HB3 LYS 1 -9.245 -6.163 3.643
7 HG2 LYS 1 HG2 LYS 1 -8.830 -4.348 5.235
8 HG3 LYS 1 HG3 LYS 1 -8.727 -3.755 3.579
9 HD2 LYS 1 HD2 LYS 1 -10.993 -2.760 3.774
10 HD3 LYS 1 HD3 LYS 1 -11.170 -3.462 5.388
11 HE2 LYS 1 HE2 LYS 1 -10.649 -1.121 5.578
12 HE3 LYS 1 HE3 LYS 1 -9.292 -2.060 6.214
13 HZ1 LYS 1 HZ1 LYS 1 -7.970 -1.455 4.362
14 HZ2 LYS 1 HZ2 LYS 1 -9.286 -1.113 3.407
15 HZ3 LYS 1 HZ3 LYS 1 -8.839 -0.098 4.592
16 H LEU 2 H LEU 2 -8.553 -5.799 1.630
17 HA LEU 2 HA LEU 2 -8.383 -3.611 -0.221
18 HB2 LEU 2 HB2 LEU 2 -6.864 -6.246 -0.131
19 HB3 LEU 2 HB3 LEU 2 -6.355 -4.778 -0.958
20 HG LEU 2 HG LEU 2 -6.609 -5.096 2.070
21 HD11 LEU 2 HD11 LEU 2 -4.140 -5.022 2.026
22 HD12 LEU 2 HD12 LEU 2 -4.806 -6.419 1.175
23 HD13 LEU 2 HD13 LEU 2 -4.184 -5.038 0.245
24 HD21 LEU 2 HD21 LEU 2 -5.436 -2.791 0.462
25 HD22 LEU 2 HD22 LEU 2 -6.958 -2.740 1.382
26 HD23 LEU 2 HD23 LEU 2 -5.425 -2.955 2.226
27 HA PRO 3 HA PRO 3 -10.641 -5.356 -3.610
28 HB2 PRO 3 HB2 PRO 3 -8.522 -4.581 -5.571
29 HB3 PRO 3 HB3 PRO 3 -10.223 -4.057 -5.478
30 HG2 PRO 3 HG2 PRO 3 -8.168 -2.410 -4.758
31 HG3 PRO 3 HG3 PRO 3 -9.738 -2.405 -3.891
32 HD2 PRO 3 HD2 PRO 3 -7.161 -3.767 -3.096
33 HD3 PRO 3 HD3 PRO 3 -8.302 -2.814 -2.102
34 HA PRO 4 HA PRO 4 -9.750 -9.419 -4.961
35 HB2 PRO 4 HB2 PRO 4 -9.679 -8.466 -7.836
36 HB3 PRO 4 HB3 PRO 4 -10.427 -9.950 -7.158
37 HG2 PRO 4 HG2 PRO 4 -11.959 -7.776 -7.599
38 HG3 PRO 4 HG3 PRO 4 -12.126 -8.666 -6.049
39 HD2 PRO 4 HD2 PRO 4 -10.630 -6.105 -6.604
40 HD3 PRO 4 HD3 PRO 4 -11.665 -6.530 -5.206
41 H GLY 5 H GLY 5 -7.865 -10.170 -4.274
42 HA2 GLY 5 HA2 GLY 5 -5.821 -11.204 -4.575
43 HA3 GLY 5 HA3 GLY 5 -5.642 -10.421 -6.145
44 H TRP 6 H TRP 6 -6.291 -7.893 -3.902
45 HA TRP 6 HA TRP 6 -3.444 -7.190 -3.917
46 HB2 TRP 6 HB2 TRP 6 -5.973 -5.729 -3.157
47 HB3 TRP 6 HB3 TRP 6 -4.367 -5.072 -2.929
48 HD1 TRP 6 HD1 TRP 6 -6.823 -5.978 -5.677
49 HE1 TRP 6 HE1 TRP 6 -6.187 -4.750 -7.849
50 HE3 TRP 6 HE3 TRP 6 -2.239 -4.219 -4.282
51 HZ2 TRP 6 HZ2 TRP 6 -3.904 -3.323 -8.891
52 HZ3 TRP 6 HZ3 TRP 6 -0.817 -2.989 -5.913
53 HH2 TRP 6 HH2 TRP 6 -1.635 -2.537 -8.204
54 H GLU 7 H GLU 7 -2.157 -6.930 -2.234
55 HA GLU 7 HA GLU 7 -3.032 -7.535 0.538
56 HB2 GLU 7 HB2 GLU 7 -1.483 -9.142 -1.329
57 HB3 GLU 7 HB3 GLU 7 -0.420 -8.609 -0.042
58 HG2 GLU 7 HG2 GLU 7 -3.160 -9.824 0.553
59 HG3 GLU 7 HG3 GLU 7 -1.728 -10.818 0.263
60 H LYS 8 H LYS 8 -1.510 -6.710 2.164
61 HA LYS 8 HA LYS 8 -0.262 -4.141 1.216
62 HB2 LYS 8 HB2 LYS 8 -0.649 -3.206 3.341
63 HB3 LYS 8 HB3 LYS 8 -2.118 -3.969 2.735
64 HG2 LYS 8 HG2 LYS 8 -1.729 -5.909 4.278
65 HG3 LYS 8 HG3 LYS 8 -0.313 -5.046 4.914
66 HD2 LYS 8 HD2 LYS 8 -2.139 -4.594 6.420
67 HD3 LYS 8 HD3 LYS 8 -1.807 -3.117 5.508
68 HE2 LYS 8 HE2 LYS 8 -3.711 -4.004 3.900
69 HE3 LYS 8 HE3 LYS 8 -4.145 -5.045 5.258
70 HZ1 LYS 8 HZ1 LYS 8 -4.395 -2.967 6.588
71 HZ2 LYS 8 HZ2 LYS 8 -3.990 -2.071 5.240
72 HZ3 LYS 8 HZ3 LYS 8 -5.336 -2.846 5.208
73 H ARG 9 H ARG 9 1.895 -3.579 1.599
74 HA ARG 9 HA ARG 9 3.638 -5.779 2.709
75 HB2 ARG 9 HB2 ARG 9 4.051 -4.453 0.025
76 HB3 ARG 9 HB3 ARG 9 5.080 -5.699 0.718
77 HG2 ARG 9 HG2 ARG 9 2.321 -6.066 -0.476
78 HG3 ARG 9 HG3 ARG 9 3.864 -6.441 -1.188
79 HD2 ARG 9 HD2 ARG 9 2.895 -8.474 -0.543
80 HD3 ARG 9 HD3 ARG 9 4.358 -8.190 0.408
81 HE ARG 9 HE ARG 9 2.508 -7.241 2.121
82 HH11 ARG 9 HH12 ARG 9 1.967 -10.323 0.378
83 HH12 ARG 9 HH11 ARG 9 0.767 -10.666 1.651
84 HH21 ARG 9 HH22 ARG 9 1.126 -7.950 3.449
85 HH22 ARG 9 HH21 ARG 9 0.378 -9.525 3.194
86 H MET 10 H MET 10 6.031 -4.976 2.480
87 HA MET 10 HA MET 10 6.393 -2.100 3.097
88 HB2 MET 10 HB2 MET 10 5.703 -3.331 5.227
89 HB3 MET 10 HB3 MET 10 7.100 -4.371 5.032
90 HG2 MET 10 HG2 MET 10 8.605 -2.422 5.098
91 HG3 MET 10 HG3 MET 10 7.229 -1.331 5.247
92 HE1 MET 10 HE1 MET 10 6.013 -0.772 7.450
93 HE2 MET 10 HE2 MET 10 5.297 -2.400 7.355
94 HE3 MET 10 HE3 MET 10 6.014 -1.829 8.877
95 H PHE 11 H PHE 11 8.288 -1.678 1.940
96 HA PHE 11 HA PHE 11 10.123 -3.640 0.915
97 HB2 PHE 11 HB2 PHE 11 10.107 -0.634 1.143
98 HB3 PHE 11 HB3 PHE 11 11.466 -1.506 0.459
99 HD1 PHE 11 HD1 PHE 11 10.886 -3.307 -1.393
100 HD2 PHE 11 HD2 PHE 11 8.382 0.082 -0.400
101 HE1 PHE 11 HE1 PHE 11 9.929 -3.333 -3.679
102 HE2 PHE 11 HE2 PHE 11 7.475 0.049 -2.707
103 HZ PHE 11 HZ PHE 11 8.255 -1.616 -4.341
104 H ALA 12 H ALA 12 12.470 -3.718 1.443
105 HA ALA 12 HA ALA 12 13.007 -4.160 4.162
106 HB1 ALA 12 HB1 ALA 12 14.159 -5.250 2.273
107 HB2 ALA 12 HB2 ALA 12 14.929 -3.704 1.839
108 HB3 ALA 12 HB3 ALA 12 15.317 -4.496 3.380
109 H ASN 13 H ASN 13 12.895 -1.105 2.646
110 HA ASN 13 HA ASN 13 14.627 0.211 4.664
111 HB2 ASN 13 HB2 ASN 13 14.278 2.219 3.255
112 HB3 ASN 13 HB3 ASN 13 14.958 0.873 2.342
113 HD21 ASN 13 HD21 ASN 13 14.180 1.918 0.338
114 H GLY 14 H GLY 14 11.493 -0.943 4.647
115 HA2 GLY 14 HA2 GLY 14 9.926 -0.573 6.317
116 HA3 GLY 14 HA3 GLY 14 10.582 1.030 6.643
117 H THR 15 H THR 15 9.912 0.375 3.209
118 HA THR 15 HA THR 15 7.888 2.550 3.385
119 HB THR 15 HB THR 15 9.338 1.393 0.994
120 HG1 THR 15 HG1 THR 15 10.768 2.295 2.238
121 HG21 THR 15 HG21 THR 15 7.864 4.038 1.210
122 HG22 THR 15 HG22 THR 15 8.659 3.338 -0.226
123 HG23 THR 15 HG23 THR 15 7.195 2.592 0.422
124 H VAL 16 H VAL 16 5.696 1.956 3.354
125 HA VAL 16 HA VAL 16 5.180 -0.778 2.333
126 HB VAL 16 HB VAL 16 2.941 -0.606 3.296
127 HG11 VAL 16 HG11 VAL 16 4.604 -1.569 4.703
128 HG12 VAL 16 HG12 VAL 16 5.158 0.029 5.275
129 HG13 VAL 16 HG13 VAL 16 3.535 -0.591 5.685
130 HG21 VAL 16 HG21 VAL 16 2.285 1.127 4.701
131 HG22 VAL 16 HG22 VAL 16 3.793 2.040 4.335
132 HG23 VAL 16 HG23 VAL 16 2.571 1.696 3.052
133 H TYR 17 H TYR 17 3.439 -1.310 1.142
134 HA TYR 17 HA TYR 17 2.290 0.537 -0.790
135 HB2 TYR 17 HB2 TYR 17 3.320 -0.595 -2.726
136 HB3 TYR 17 HB3 TYR 17 4.543 0.154 -1.729
137 HD1 TYR 17 HD1 TYR 17 6.000 -1.152 -0.255
138 HD2 TYR 17 HD2 TYR 17 3.369 -3.070 -3.085
139 HE1 TYR 17 HE1 TYR 17 7.414 -3.163 -0.165
140 HE2 TYR 17 HE2 TYR 17 4.770 -5.118 -3.016
141 HH TYR 17 HH TYR 17 6.799 -6.003 -2.275
142 H TYR 18 H TYR 18 1.044 -0.949 -2.405
143 HA TYR 18 HA TYR 18 0.111 -3.429 -1.063
144 HB2 TYR 18 HB2 TYR 18 -1.443 -1.518 -2.836
145 HB3 TYR 18 HB3 TYR 18 -2.051 -3.038 -2.162
146 HD1 TYR 18 HD1 TYR 18 -0.839 0.372 -1.325
147 HD2 TYR 18 HD2 TYR 18 -2.566 -3.275 0.228
148 HE1 TYR 18 HE1 TYR 18 -1.134 1.446 0.888
149 HE2 TYR 18 HE2 TYR 18 -3.057 -2.096 2.360
150 HH TYR 18 HH TYR 18 -3.102 -0.107 3.482
151 H PHE 19 H PHE 19 -0.029 -5.213 -2.197
152 HA PHE 19 HA PHE 19 1.217 -5.307 -4.916
153 HB2 PHE 19 HB2 PHE 19 2.674 -5.933 -3.018
154 HB3 PHE 19 HB3 PHE 19 1.526 -7.183 -2.537
155 HD1 PHE 19 HD1 PHE 19 3.947 -6.086 -5.100
156 HD2 PHE 19 HD2 PHE 19 1.404 -9.321 -3.783
157 HE1 PHE 19 HE1 PHE 19 5.074 -7.595 -6.667
158 HE2 PHE 19 HE2 PHE 19 2.558 -10.849 -5.363
159 HZ PHE 19 HZ PHE 19 4.340 -10.003 -6.843
160 H ASN 20 H ASN 20 0.032 -6.420 -6.429
161 HA ASN 20 HA ASN 20 -2.314 -7.956 -5.495
162 HB2 ASN 20 HB2 ASN 20 -2.516 -6.286 -7.367
163 HB3 ASN 20 HB3 ASN 20 -1.521 -7.367 -8.340
164 HD21 ASN 20 HD22 ASN 20 -4.704 -6.737 -7.132
165 HD22 ASN 20 HD21 ASN 20 -5.462 -8.234 -7.581
166 H HIS 21 H HIS 21 -1.838 -9.989 -4.832
167 HA HIS 21 HA HIS 21 0.489 -11.390 -5.931
168 HB2 HIS 21 HB2 HIS 21 -0.008 -13.083 -4.264
169 HB3 HIS 21 HB3 HIS 21 0.030 -11.481 -3.562
170 HD2 HIS 21 HD2 HIS 21 -2.746 -13.934 -4.859
171 HE1 HIS 21 HE1 HIS 21 -4.268 -11.766 -1.508
172 HE2 HIS 21 HE2 HIS 21 -4.787 -13.600 -3.218
173 H ILE 22 H ILE 22 -2.396 -10.941 -7.413
174 HA ILE 22 HA ILE 22 -2.327 -13.650 -8.668
175 HB ILE 22 HB ILE 22 -4.443 -11.480 -8.922
176 HG12 ILE 22 HG12 ILE 22 -4.470 -14.093 -7.340
177 HG13 ILE 22 HG13 ILE 22 -4.412 -12.474 -6.648
178 HG21 ILE 22 HG21 ILE 22 -5.747 -13.208 -10.104
179 HG22 ILE 22 HG22 ILE 22 -4.240 -12.907 -10.943
180 HG23 ILE 22 HG23 ILE 22 -4.401 -14.357 -9.932
181 HD11 ILE 22 HD11 ILE 22 -6.650 -13.224 -6.436
182 HD12 ILE 22 HD12 ILE 22 -6.648 -11.985 -7.708
183 HD13 ILE 22 HD13 ILE 22 -6.748 -13.714 -8.132
184 H THR 23 H THR 23 -2.031 -10.120 -9.358
185 HA THR 23 HA THR 23 -1.116 -10.788 -12.115
186 HB THR 23 HB THR 23 -1.534 -8.518 -12.685
187 HG1 THR 23 HG1 THR 23 -2.308 -7.087 -11.072
188 HG21 THR 23 HG21 THR 23 -3.847 -9.341 -10.883
189 HG22 THR 23 HG22 THR 23 -3.898 -8.261 -12.292
190 HG23 THR 23 HG23 THR 23 -3.556 -9.985 -12.514
191 H ASN 24 H ASN 24 0.405 -9.992 -9.123
192 HA ASN 24 HA ASN 24 2.390 -9.362 -8.516
193 HB2 ASN 24 HB2 ASN 24 3.034 -10.933 -10.527
194 HB3 ASN 24 HB3 ASN 24 3.534 -9.434 -11.308
195 HD21 ASN 24 HD22 ASN 24 4.902 -8.002 -9.544
196 HD22 ASN 24 HD21 ASN 24 6.244 -8.974 -8.890
197 H ALA 25 H ALA 25 0.310 -7.369 -9.989
198 HA ALA 25 HA ALA 25 1.940 -5.049 -10.496
199 HB1 ALA 25 HB1 ALA 25 -0.958 -5.270 -9.568
200 HB2 ALA 25 HB2 ALA 25 -0.189 -3.832 -10.268
201 HB3 ALA 25 HB3 ALA 25 -0.401 -5.285 -11.261
202 H SER 26 H SER 26 2.227 -3.147 -9.125
203 HA SER 26 HA SER 26 1.702 -3.444 -6.244
204 HB2 SER 26 HB2 SER 26 3.967 -2.607 -5.697
205 HB3 SER 26 HB3 SER 26 4.007 -4.217 -6.421
206 HG SER 26 HG SER 26 4.244 -1.854 -7.981
207 H GLN 27 H GLN 27 1.178 -1.500 -5.252
208 HA GLN 27 HA GLN 27 1.723 1.048 -6.664
209 HB2 GLN 27 HB2 GLN 27 -0.871 -0.275 -6.629
210 HB3 GLN 27 HB3 GLN 27 -0.982 1.183 -5.663
211 HG2 GLN 27 HG2 GLN 27 0.150 1.138 -8.500
212 HG3 GLN 27 HG3 GLN 27 -1.547 1.402 -8.117
213 HE21 GLN 27 HE22 GLN 27 -1.404 3.573 -9.170
214 HE22 GLN 27 HE21 GLN 27 -0.652 4.840 -8.213
215 H PHE 28 H PHE 28 1.732 2.855 -5.352
216 HA PHE 28 HA PHE 28 1.971 2.424 -2.418
217 HB2 PHE 28 HB2 PHE 28 2.529 4.834 -4.191
218 HB3 PHE 28 HB3 PHE 28 2.743 4.784 -2.445
219 HD1 PHE 28 HD2 PHE 28 4.203 2.703 -1.556
220 HD2 PHE 28 HD1 PHE 28 4.495 4.469 -5.483
221 HE1 PHE 28 HE2 PHE 28 6.514 1.895 -1.743
222 HE2 PHE 28 HE1 PHE 28 6.826 3.636 -5.672
223 HZ PHE 28 HZ PHE 28 7.854 2.367 -3.797
224 H GLU 29 H GLU 29 -0.253 3.697 -4.871
225 HA GLU 29 HA GLU 29 -1.930 5.239 -3.129
226 HB2 GLU 29 HB2 GLU 29 -2.340 3.760 -5.750
227 HB3 GLU 29 HB3 GLU 29 -3.711 4.466 -4.908
228 HG2 GLU 29 HG2 GLU 29 -1.247 6.074 -5.708
229 HG3 GLU 29 HG3 GLU 29 -2.720 5.948 -6.679
230 H ARG 30 H ARG 30 -2.659 4.463 -1.270
231 HA ARG 30 HA ARG 30 -3.102 1.737 -0.772
232 HB2 ARG 30 HB2 ARG 30 -3.531 2.249 1.428
233 HB3 ARG 30 HB3 ARG 30 -2.271 3.332 0.870
234 HG2 ARG 30 HG2 ARG 30 -5.128 4.045 1.587
235 HG3 ARG 30 HG3 ARG 30 -3.633 4.338 2.469
236 HD2 ARG 30 HD2 ARG 30 -4.249 6.425 1.519
237 HD3 ARG 30 HD3 ARG 30 -2.860 5.828 0.594
238 HE ARG 30 HE ARG 30 -5.452 5.052 -0.507
239 HH11 ARG 30 HH11 ARG 30 -2.894 7.464 -0.782
240 HH12 ARG 30 HH12 ARG 30 -3.110 7.577 -2.524
241 HH21 ARG 30 HH21 ARG 30 -5.937 5.559 -2.581
242 HH22 ARG 30 HH22 ARG 30 -4.911 6.682 -3.471
243 HA PRO 31 HA PRO 31 -7.345 1.706 -2.178
244 HB2 PRO 31 HB2 PRO 31 -7.662 -0.825 -2.799
245 HB3 PRO 31 HB3 PRO 31 -6.544 0.265 -3.667
246 HG2 PRO 31 HG2 PRO 31 -5.849 -1.824 -1.566
247 HG3 PRO 31 HG3 PRO 31 -4.995 -1.500 -3.100
248 HD2 PRO 31 HD2 PRO 31 -4.346 -0.414 -0.574
249 HD3 PRO 31 HD3 PRO 31 -3.791 0.214 -2.147
250 H SER 32 H SER 32 -7.902 2.358 -0.317
251 HA SER 32 HA SER 32 -9.332 2.577 1.511
252 HB2 SER 32 HB2 SER 32 -10.756 0.850 2.299
253 HB3 SER 32 HB3 SER 32 -10.636 0.647 0.541
254 HG SER 32 HG SER 32 -8.955 -0.889 0.948
255 H GLY 33 H GLY 33 -6.393 0.875 1.705
256 HA2 GLY 33 HA2 GLY 33 -4.945 1.489 3.567
257 HA3 GLY 33 HA3 GLY 33 -6.297 1.320 4.670
258 H1 NAG 101 H1 NAG 34 11.396 1.020 -0.125
259 H2 NAG 101 H2 NAG 34 12.805 3.201 -1.751
260 H3 NAG 101 H3 NAG 34 10.091 1.781 -1.868
261 H4 NAG 101 H4 NAG 34 12.449 2.003 -3.781
262 H5 NAG 101 H5 NAG 34 11.324 -0.383 -2.276
263 H61 NAG 101 H61 NAG 34 13.294 -1.628 -2.990
264 H62 NAG 101 H62 NAG 34 12.437 -1.012 -4.404
265 H81 NAG 101 H2M NAG 34 9.682 5.871 0.550
266 H82 NAG 101 H3M NAG 34 10.873 7.079 0.021
267 H83 NAG 101 H1M NAG 34 11.310 5.893 1.270
268 HN2 NAG 101 H2N NAG 34 11.015 3.514 0.525
269 HO3 NAG 101 H3O NAG 34 10.756 4.296 -2.745
270 HO4 NAG 101 H4O NAG 34 10.205 1.893 -4.492
271 HO6 NAG 101 H6O NAG 34 14.701 -0.585 -4.548
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -6.977 3.362 -2.448
2 H2 LYS 1 H2 LYS 1 -6.942 2.682 -0.968
3 H3 LYS 1 H3 LYS 1 -8.005 3.873 -1.259
4 HA LYS 1 HA LYS 1 -9.272 1.866 -1.347
5 HB2 LYS 1 HB2 LYS 1 -8.455 2.821 -4.132
6 HB3 LYS 1 HB3 LYS 1 -9.595 1.506 -3.909
7 HG2 LYS 1 HG2 LYS 1 -10.873 3.462 -4.270
8 HG3 LYS 1 HG3 LYS 1 -11.097 2.943 -2.607
9 HD2 LYS 1 HD2 LYS 1 -11.003 5.337 -2.684
10 HD3 LYS 1 HD3 LYS 1 -9.597 4.764 -1.834
11 HE2 LYS 1 HE2 LYS 1 -8.893 4.994 -4.637
12 HE3 LYS 1 HE3 LYS 1 -9.837 6.423 -4.203
13 HZ1 LYS 1 HZ1 LYS 1 -8.236 6.516 -2.191
14 HZ2 LYS 1 HZ2 LYS 1 -7.244 5.546 -3.135
15 HZ3 LYS 1 HZ3 LYS 1 -7.687 7.033 -3.659
16 H LEU 2 H LEU 2 -9.421 -0.487 -2.433
17 HA LEU 2 HA LEU 2 -6.783 -1.474 -3.211
18 HB2 LEU 2 HB2 LEU 2 -6.913 -1.667 -0.723
19 HB3 LEU 2 HB3 LEU 2 -8.317 -2.722 -0.900
20 HG LEU 2 HG LEU 2 -6.873 -4.370 -2.122
21 HD11 LEU 2 HD11 LEU 2 -4.667 -2.365 -1.513
22 HD12 LEU 2 HD12 LEU 2 -4.425 -4.047 -2.050
23 HD13 LEU 2 HD13 LEU 2 -5.198 -2.895 -3.121
24 HD21 LEU 2 HD21 LEU 2 -5.628 -3.619 0.504
25 HD22 LEU 2 HD22 LEU 2 -7.175 -4.488 0.338
26 HD23 LEU 2 HD23 LEU 2 -5.683 -5.209 -0.267
27 HA PRO 3 HA PRO 3 -9.921 -3.622 -5.691
28 HB2 PRO 3 HB2 PRO 3 -7.758 -4.478 -7.507
29 HB3 PRO 3 HB3 PRO 3 -9.156 -3.430 -7.840
30 HG2 PRO 3 HG2 PRO 3 -6.570 -2.462 -7.698
31 HG3 PRO 3 HG3 PRO 3 -8.008 -1.501 -7.236
32 HD2 PRO 3 HD2 PRO 3 -6.122 -3.025 -5.429
33 HD3 PRO 3 HD3 PRO 3 -6.793 -1.374 -5.260
34 HA PRO 4 HA PRO 4 -9.605 -7.986 -4.706
35 HB2 PRO 4 HB2 PRO 4 -10.020 -8.535 -7.651
36 HB3 PRO 4 HB3 PRO 4 -10.823 -9.292 -6.240
37 HG2 PRO 4 HG2 PRO 4 -12.095 -7.369 -7.658
38 HG3 PRO 4 HG3 PRO 4 -12.156 -7.341 -5.864
39 HD2 PRO 4 HD2 PRO 4 -10.392 -5.720 -7.712
40 HD3 PRO 4 HD3 PRO 4 -11.303 -5.196 -6.262
41 H GLY 5 H GLY 5 -7.924 -9.361 -4.392
42 HA2 GLY 5 HA2 GLY 5 -6.117 -10.715 -4.865
43 HA3 GLY 5 HA3 GLY 5 -6.054 -10.073 -6.505
44 H TRP 6 H TRP 6 -5.953 -7.313 -4.563
45 HA TRP 6 HA TRP 6 -3.013 -7.188 -4.588
46 HB2 TRP 6 HB2 TRP 6 -5.195 -5.162 -4.061
47 HB3 TRP 6 HB3 TRP 6 -3.469 -4.833 -4.016
48 HD1 TRP 6 HD1 TRP 6 -6.153 -5.920 -6.530
49 HE1 TRP 6 HE1 TRP 6 -5.601 -4.932 -8.843
50 HE3 TRP 6 HE3 TRP 6 -1.582 -3.888 -5.466
51 HZ2 TRP 6 HZ2 TRP 6 -3.451 -3.470 -10.066
52 HZ3 TRP 6 HZ3 TRP 6 -0.276 -2.778 -7.242
53 HH2 TRP 6 HH2 TRP 6 -1.201 -2.530 -9.534
54 H GLU 7 H GLU 7 -1.810 -7.461 -2.759
55 HA GLU 7 HA GLU 7 -3.198 -7.452 -0.116
56 HB2 GLU 7 HB2 GLU 7 -2.371 -9.663 -1.618
57 HB3 GLU 7 HB3 GLU 7 -1.037 -9.434 -0.506
58 HG2 GLU 7 HG2 GLU 7 -3.981 -9.718 0.250
59 HG3 GLU 7 HG3 GLU 7 -2.774 -11.004 0.316
60 H LYS 8 H LYS 8 -1.951 -7.052 1.732
61 HA LYS 8 HA LYS 8 -0.251 -4.777 1.424
62 HB2 LYS 8 HB2 LYS 8 -0.350 -4.661 3.840
63 HB3 LYS 8 HB3 LYS 8 -1.918 -5.148 3.204
64 HG2 LYS 8 HG2 LYS 8 -0.881 -7.604 3.611
65 HG3 LYS 8 HG3 LYS 8 0.086 -6.727 4.787
66 HD2 LYS 8 HD2 LYS 8 -1.873 -6.062 6.023
67 HD3 LYS 8 HD3 LYS 8 -2.962 -6.529 4.709
68 HE2 LYS 8 HE2 LYS 8 -1.262 -8.491 6.313
69 HE3 LYS 8 HE3 LYS 8 -2.969 -8.128 6.603
70 HZ1 LYS 8 HZ1 LYS 8 -3.178 -8.762 4.081
71 HZ2 LYS 8 HZ2 LYS 8 -1.835 -9.522 4.227
72 HZ3 LYS 8 HZ3 LYS 8 -3.074 -9.990 5.210
73 H ARG 9 H ARG 9 1.867 -4.501 1.319
74 HA ARG 9 HA ARG 9 3.815 -6.581 2.277
75 HB2 ARG 9 HB2 ARG 9 4.107 -4.979 -0.260
76 HB3 ARG 9 HB3 ARG 9 5.211 -6.221 0.307
77 HG2 ARG 9 HG2 ARG 9 2.486 -6.628 -0.932
78 HG3 ARG 9 HG3 ARG 9 4.059 -6.841 -1.666
79 HD2 ARG 9 HD2 ARG 9 3.354 -8.994 -1.317
80 HD3 ARG 9 HD3 ARG 9 4.571 -8.702 -0.070
81 HE ARG 9 HE ARG 9 2.536 -8.190 1.437
82 HH11 ARG 9 HH11 ARG 9 2.065 -10.590 -1.110
83 HH12 ARG 9 HH12 ARG 9 0.691 -11.254 -0.245
84 HH21 ARG 9 HH22 ARG 9 0.968 -8.958 2.328
85 HH22 ARG 9 HH21 ARG 9 -0.055 -10.241 1.790
86 H MET 10 H MET 10 6.140 -5.552 2.126
87 HA MET 10 HA MET 10 6.247 -2.676 2.602
88 HB2 MET 10 HB2 MET 10 5.608 -3.692 4.817
89 HB3 MET 10 HB3 MET 10 7.090 -4.655 4.762
90 HG2 MET 10 HG2 MET 10 8.385 -2.483 4.598
91 HG3 MET 10 HG3 MET 10 6.876 -1.617 4.862
92 HE1 MET 10 HE1 MET 10 5.394 -3.359 7.113
93 HE2 MET 10 HE2 MET 10 6.049 -2.651 8.603
94 HE3 MET 10 HE3 MET 10 5.585 -1.592 7.258
95 H PHE 11 H PHE 11 8.050 -1.919 1.756
96 HA PHE 11 HA PHE 11 10.282 -3.525 0.801
97 HB2 PHE 11 HB2 PHE 11 9.797 -0.531 1.061
98 HB3 PHE 11 HB3 PHE 11 11.214 -1.263 0.333
99 HD1 PHE 11 HD1 PHE 11 10.886 -2.918 -1.640
100 HD2 PHE 11 HD2 PHE 11 7.975 0.030 -0.401
101 HE1 PHE 11 HE1 PHE 11 9.850 -2.999 -3.885
102 HE2 PHE 11 HE2 PHE 11 6.993 -0.031 -2.691
103 HZ PHE 11 HZ PHE 11 7.913 -1.537 -4.413
104 H ALA 12 H ALA 12 12.148 -3.989 1.958
105 HA ALA 12 HA ALA 12 12.225 -3.748 4.735
106 HB1 ALA 12 HB1 ALA 12 14.507 -4.232 2.771
107 HB2 ALA 12 HB2 ALA 12 14.514 -4.630 4.502
108 HB3 ALA 12 HB3 ALA 12 13.393 -5.466 3.411
109 H ASN 13 H ASN 13 13.514 -1.448 2.349
110 HA ASN 13 HA ASN 13 14.927 0.191 4.272
111 HB2 ASN 13 HB2 ASN 13 15.031 1.768 2.312
112 HB3 ASN 13 HB3 ASN 13 15.720 0.179 2.030
113 HD21 ASN 13 HD21 ASN 13 13.831 2.522 0.597
114 H GLY 14 H GLY 14 11.703 -0.420 4.234
115 HA2 GLY 14 HA2 GLY 14 10.300 0.518 5.790
116 HA3 GLY 14 HA3 GLY 14 11.219 2.022 5.778
117 H THR 15 H THR 15 9.129 0.113 3.395
118 HA THR 15 HA THR 15 7.305 2.415 3.399
119 HB THR 15 HB THR 15 8.794 1.673 0.867
120 HG1 THR 15 HG1 THR 15 9.199 3.433 2.759
121 HG21 THR 15 HG21 THR 15 7.466 3.426 -0.228
122 HG22 THR 15 HG22 THR 15 6.395 2.118 0.316
123 HG23 THR 15 HG23 THR 15 6.491 3.640 1.237
124 H VAL 16 H VAL 16 5.220 1.756 3.224
125 HA VAL 16 HA VAL 16 4.753 -1.129 2.718
126 HB VAL 16 HB VAL 16 3.247 1.066 4.153
127 HG11 VAL 16 HG11 VAL 16 2.056 -1.633 3.373
128 HG12 VAL 16 HG12 VAL 16 1.384 -0.519 4.579
129 HG13 VAL 16 HG13 VAL 16 1.455 -0.028 2.889
130 HG21 VAL 16 HG21 VAL 16 4.950 -0.308 5.352
131 HG22 VAL 16 HG22 VAL 16 3.318 -0.579 5.986
132 HG23 VAL 16 HG23 VAL 16 4.048 -1.781 4.900
133 H TYR 17 H TYR 17 3.355 -1.897 1.218
134 HA TYR 17 HA TYR 17 1.876 -0.092 -0.554
135 HB2 TYR 17 HB2 TYR 17 2.935 -0.931 -2.600
136 HB3 TYR 17 HB3 TYR 17 4.113 -0.134 -1.589
137 HD1 TYR 17 HD2 TYR 17 5.764 -1.426 -0.283
138 HD2 TYR 17 HD1 TYR 17 3.206 -3.312 -3.198
139 HE1 TYR 17 HE2 TYR 17 7.350 -3.314 -0.433
140 HE2 TYR 17 HE1 TYR 17 4.813 -5.235 -3.352
141 HH TYR 17 HH TYR 17 7.879 -5.263 -1.561
142 H TYR 18 H TYR 18 0.693 -1.520 -2.227
143 HA TYR 18 HA TYR 18 0.068 -4.214 -1.145
144 HB2 TYR 18 HB2 TYR 18 -1.720 -2.197 -2.521
145 HB3 TYR 18 HB3 TYR 18 -2.143 -3.891 -2.251
146 HD1 TYR 18 HD1 TYR 18 -0.861 -0.905 -0.367
147 HD2 TYR 18 HD2 TYR 18 -3.315 -4.448 -0.200
148 HE1 TYR 18 HE1 TYR 18 -1.126 -0.576 1.984
149 HE2 TYR 18 HE2 TYR 18 -3.876 -3.969 2.084
150 HH TYR 18 HH TYR 18 -2.167 -1.388 3.965
151 H PHE 19 H PHE 19 0.016 -5.907 -2.431
152 HA PHE 19 HA PHE 19 1.236 -5.659 -5.139
153 HB2 PHE 19 HB2 PHE 19 2.710 -6.328 -3.350
154 HB3 PHE 19 HB3 PHE 19 1.607 -7.613 -2.850
155 HD1 PHE 19 HD2 PHE 19 1.403 -9.698 -4.177
156 HD2 PHE 19 HD1 PHE 19 4.184 -6.575 -5.246
157 HE1 PHE 19 HE2 PHE 19 2.718 -11.319 -5.531
158 HE2 PHE 19 HE1 PHE 19 5.490 -8.170 -6.563
159 HZ PHE 19 HZ PHE 19 4.761 -10.570 -6.723
160 H ASN 20 H ASN 20 -0.065 -6.321 -6.703
161 HA ASN 20 HA ASN 20 -2.350 -8.036 -6.360
162 HB2 ASN 20 HB2 ASN 20 -2.099 -6.254 -8.111
163 HB3 ASN 20 HB3 ASN 20 -0.862 -7.228 -8.869
164 HD21 ASN 20 HD22 ASN 20 -4.353 -7.056 -8.074
165 HD22 ASN 20 HD21 ASN 20 -4.786 -8.385 -9.131
166 H HIS 21 H HIS 21 -1.795 -10.059 -5.494
167 HA HIS 21 HA HIS 21 0.523 -11.508 -6.473
168 HB2 HIS 21 HB2 HIS 21 -0.223 -13.291 -4.988
169 HB3 HIS 21 HB3 HIS 21 -0.182 -11.731 -4.192
170 HD2 HIS 21 HD2 HIS 21 -2.970 -13.844 -5.984
171 HE1 HIS 21 HE1 HIS 21 -4.625 -12.059 -2.479
172 HE2 HIS 21 HE2 HIS 21 -5.112 -13.589 -4.471
173 H ILE 22 H ILE 22 -2.076 -10.881 -8.312
174 HA ILE 22 HA ILE 22 -2.168 -13.571 -9.578
175 HB ILE 22 HB ILE 22 -3.826 -11.090 -10.187
176 HG12 ILE 22 HG12 ILE 22 -4.593 -13.519 -8.502
177 HG13 ILE 22 HG13 ILE 22 -4.272 -11.906 -7.867
178 HG21 ILE 22 HG21 ILE 22 -3.682 -12.658 -12.083
179 HG22 ILE 22 HG22 ILE 22 -4.177 -13.999 -11.029
180 HG23 ILE 22 HG23 ILE 22 -5.293 -12.668 -11.410
181 HD11 ILE 22 HD11 ILE 22 -6.619 -12.159 -7.930
182 HD12 ILE 22 HD12 ILE 22 -6.180 -11.005 -9.204
183 HD13 ILE 22 HD13 ILE 22 -6.616 -12.685 -9.616
184 H THR 23 H THR 23 -0.695 -10.426 -9.826
185 HA THR 23 HA THR 23 0.388 -11.064 -12.559
186 HB THR 23 HB THR 23 0.222 -8.650 -13.065
187 HG1 THR 23 HG1 THR 23 -1.372 -8.516 -10.734
188 HG21 THR 23 HG21 THR 23 -1.642 -10.116 -13.779
189 HG22 THR 23 HG22 THR 23 -2.490 -9.789 -12.256
190 HG23 THR 23 HG23 THR 23 -2.179 -8.468 -13.400
191 H ASN 24 H ASN 24 1.138 -9.900 -9.356
192 HA ASN 24 HA ASN 24 2.978 -9.401 -8.308
193 HB2 ASN 24 HB2 ASN 24 4.632 -9.284 -10.848
194 HB3 ASN 24 HB3 ASN 24 5.204 -9.354 -9.194
195 HD21 ASN 24 HD22 ASN 24 3.753 -11.204 -11.796
196 HD22 ASN 24 HD21 ASN 24 4.173 -12.789 -11.103
197 H ALA 25 H ALA 25 1.155 -7.424 -10.174
198 HA ALA 25 HA ALA 25 2.781 -5.077 -10.342
199 HB1 ALA 25 HB1 ALA 25 0.691 -5.440 -11.621
200 HB2 ALA 25 HB2 ALA 25 -0.248 -5.339 -10.116
201 HB3 ALA 25 HB3 ALA 25 0.651 -3.925 -10.700
202 H SER 26 H SER 26 3.429 -3.614 -8.799
203 HA SER 26 HA SER 26 2.298 -3.797 -6.050
204 HB2 SER 26 HB2 SER 26 4.521 -3.014 -5.345
205 HB3 SER 26 HB3 SER 26 4.633 -4.522 -6.268
206 HG SER 26 HG SER 26 4.844 -1.961 -7.469
207 H GLN 27 H GLN 27 1.187 -2.014 -5.303
208 HA GLN 27 HA GLN 27 1.972 0.688 -6.255
209 HB2 GLN 27 HB2 GLN 27 -0.839 -0.486 -6.376
210 HB3 GLN 27 HB3 GLN 27 -0.509 1.239 -6.455
211 HG2 GLN 27 HG2 GLN 27 0.554 -0.778 -8.478
212 HG3 GLN 27 HG3 GLN 27 -0.889 0.206 -8.678
213 HE21 GLN 27 HE22 GLN 27 2.702 0.331 -8.518
214 HE22 GLN 27 HE21 GLN 27 2.742 1.954 -9.233
215 H PHE 28 H PHE 28 1.366 2.403 -4.937
216 HA PHE 28 HA PHE 28 1.349 1.763 -2.116
217 HB2 PHE 28 HB2 PHE 28 1.425 4.437 -3.554
218 HB3 PHE 28 HB3 PHE 28 1.817 4.143 -1.858
219 HD1 PHE 28 HD2 PHE 28 3.669 2.364 -1.348
220 HD2 PHE 28 HD1 PHE 28 3.190 4.328 -5.161
221 HE1 PHE 28 HE2 PHE 28 5.981 1.790 -1.931
222 HE2 PHE 28 HE1 PHE 28 5.524 3.727 -5.755
223 HZ PHE 28 HZ PHE 28 6.929 2.445 -4.150
224 H GLU 29 H GLU 29 -1.258 1.784 -4.061
225 HA GLU 29 HA GLU 29 -3.086 3.368 -2.454
226 HB2 GLU 29 HB2 GLU 29 -3.397 1.516 -4.778
227 HB3 GLU 29 HB3 GLU 29 -4.782 1.766 -3.720
228 HG2 GLU 29 HG2 GLU 29 -3.256 3.987 -5.119
229 HG3 GLU 29 HG3 GLU 29 -4.821 3.333 -5.608
230 H ARG 30 H ARG 30 -3.414 2.968 -0.458
231 HA ARG 30 HA ARG 30 -3.572 0.228 0.599
232 HB2 ARG 30 HB2 ARG 30 -3.966 2.353 2.589
233 HB3 ARG 30 HB3 ARG 30 -2.839 1.033 2.559
234 HG2 ARG 30 HG2 ARG 30 -1.339 2.697 2.615
235 HG3 ARG 30 HG3 ARG 30 -1.483 2.655 0.887
236 HD2 ARG 30 HD2 ARG 30 -2.602 4.616 2.903
237 HD3 ARG 30 HD3 ARG 30 -1.575 4.959 1.520
238 HE ARG 30 HE ARG 30 -4.512 4.801 1.619
239 HH11 ARG 30 HH11 ARG 30 -1.828 4.807 -0.799
240 HH12 ARG 30 HH12 ARG 30 -3.001 5.484 -1.943
241 HH21 ARG 30 HH21 ARG 30 -5.805 5.405 -0.204
242 HH22 ARG 30 HH22 ARG 30 -4.862 5.661 -1.678
243 HA PRO 31 HA PRO 31 -8.016 0.322 0.917
244 HB2 PRO 31 HB2 PRO 31 -7.610 -0.440 3.817
245 HB3 PRO 31 HB3 PRO 31 -8.752 -1.153 2.632
246 HG2 PRO 31 HG2 PRO 31 -6.397 -2.433 3.175
247 HG3 PRO 31 HG3 PRO 31 -6.990 -2.279 1.504
248 HD2 PRO 31 HD2 PRO 31 -4.878 -0.645 2.900
249 HD3 PRO 31 HD3 PRO 31 -4.895 -1.325 1.237
250 H SER 32 H SER 32 -6.289 1.755 3.303
251 HA SER 32 HA SER 32 -8.109 3.729 4.419
252 HB2 SER 32 HB2 SER 32 -5.064 3.784 4.391
253 HB3 SER 32 HB3 SER 32 -6.133 4.682 5.483
254 HG SER 32 HG SER 32 -6.775 2.709 6.381
255 H GLY 33 H GLY 33 -9.089 4.825 2.677
256 HA2 GLY 33 HA2 GLY 33 -9.328 6.970 1.750
257 HA3 GLY 33 HA3 GLY 33 -7.588 7.232 1.879
258 H1 NAG 101 H1 NAG 34 11.591 0.948 -0.031
259 H2 NAG 101 H2 NAG 34 12.521 3.573 -1.325
260 H3 NAG 101 H3 NAG 34 9.805 2.186 -1.142
261 H4 NAG 101 H4 NAG 34 11.599 2.781 -3.553
262 H5 NAG 101 H5 NAG 34 10.801 0.174 -2.197
263 H61 NAG 101 H61 NAG 34 12.286 -1.010 -3.647
264 H62 NAG 101 H62 NAG 34 11.221 -0.065 -4.690
265 H81 NAG 101 H2M NAG 34 11.605 4.447 3.224
266 H82 NAG 101 H3M NAG 34 10.828 5.595 2.105
267 H83 NAG 101 H1M NAG 34 12.483 5.887 2.673
268 HN2 NAG 101 H2N NAG 34 10.477 3.609 0.801
269 HO3 NAG 101 H3O NAG 34 9.791 4.596 -1.152
270 HO4 NAG 101 H4O NAG 34 9.256 2.867 -3.623
271 HO6 NAG 101 H6O NAG 34 13.754 0.828 -3.719
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -7.498 1.963 -2.073
2 H2 LYS 1 H2 LYS 1 -8.569 3.095 -2.527
3 H3 LYS 1 H3 LYS 1 -7.384 2.606 -3.575
4 HA LYS 1 HA LYS 1 -9.555 0.892 -2.541
5 HB2 LYS 1 HB2 LYS 1 -10.405 0.961 -4.928
6 HB3 LYS 1 HB3 LYS 1 -10.730 2.354 -3.922
7 HG2 LYS 1 HG2 LYS 1 -8.321 2.434 -5.764
8 HG3 LYS 1 HG3 LYS 1 -9.932 2.603 -6.438
9 HD2 LYS 1 HD2 LYS 1 -10.427 4.530 -5.084
10 HD3 LYS 1 HD3 LYS 1 -8.915 4.401 -4.193
11 HE2 LYS 1 HE2 LYS 1 -9.077 4.891 -7.197
12 HE3 LYS 1 HE3 LYS 1 -8.984 6.164 -5.973
13 HZ1 LYS 1 HZ1 LYS 1 -6.862 4.180 -6.631
14 HZ2 LYS 1 HZ2 LYS 1 -6.756 5.820 -6.571
15 HZ3 LYS 1 HZ3 LYS 1 -6.861 4.831 -5.227
16 H LEU 2 H LEU 2 -8.789 -1.201 -2.417
17 HA LEU 2 HA LEU 2 -6.583 -2.018 -4.200
18 HB2 LEU 2 HB2 LEU 2 -8.005 -3.421 -1.907
19 HB3 LEU 2 HB3 LEU 2 -6.748 -4.137 -2.891
20 HG LEU 2 HG LEU 2 -6.468 -1.871 -0.908
21 HD11 LEU 2 HD11 LEU 2 -5.061 -4.550 -1.216
22 HD12 LEU 2 HD12 LEU 2 -4.848 -3.396 0.112
23 HD13 LEU 2 HD13 LEU 2 -6.399 -4.223 -0.098
24 HD21 LEU 2 HD21 LEU 2 -4.376 -2.784 -2.917
25 HD22 LEU 2 HD22 LEU 2 -5.106 -1.166 -2.807
26 HD23 LEU 2 HD23 LEU 2 -4.088 -1.744 -1.505
27 HA PRO 3 HA PRO 3 -9.648 -4.086 -6.865
28 HB2 PRO 3 HB2 PRO 3 -7.214 -4.948 -8.367
29 HB3 PRO 3 HB3 PRO 3 -8.679 -4.133 -8.972
30 HG2 PRO 3 HG2 PRO 3 -6.302 -2.801 -8.708
31 HG3 PRO 3 HG3 PRO 3 -7.876 -2.010 -8.375
32 HD2 PRO 3 HD2 PRO 3 -5.913 -3.170 -6.390
33 HD3 PRO 3 HD3 PRO 3 -6.812 -1.633 -6.343
34 HA PRO 4 HA PRO 4 -9.400 -8.393 -5.636
35 HB2 PRO 4 HB2 PRO 4 -9.252 -9.130 -8.568
36 HB3 PRO 4 HB3 PRO 4 -10.254 -9.859 -7.273
37 HG2 PRO 4 HG2 PRO 4 -11.354 -8.079 -8.984
38 HG3 PRO 4 HG3 PRO 4 -11.705 -7.954 -7.229
39 HD2 PRO 4 HD2 PRO 4 -9.734 -6.355 -8.872
40 HD3 PRO 4 HD3 PRO 4 -10.880 -5.792 -7.616
41 H GLY 5 H GLY 5 -7.762 -9.611 -4.869
42 HA2 GLY 5 HA2 GLY 5 -5.865 -10.935 -4.873
43 HA3 GLY 5 HA3 GLY 5 -5.471 -10.388 -6.504
44 H TRP 6 H TRP 6 -5.881 -7.497 -4.893
45 HA TRP 6 HA TRP 6 -3.010 -7.142 -4.409
46 HB2 TRP 6 HB2 TRP 6 -5.423 -5.314 -4.286
47 HB3 TRP 6 HB3 TRP 6 -3.791 -4.827 -3.890
48 HD1 TRP 6 HD1 TRP 6 -5.688 -6.225 -6.946
49 HE1 TRP 6 HE1 TRP 6 -4.723 -5.141 -9.083
50 HE3 TRP 6 HE3 TRP 6 -1.995 -3.399 -4.823
51 HZ2 TRP 6 HZ2 TRP 6 -2.647 -3.268 -9.758
52 HZ3 TRP 6 HZ3 TRP 6 -0.608 -1.914 -6.209
53 HH2 TRP 6 HH2 TRP 6 -0.893 -1.850 -8.683
54 H GLU 7 H GLU 7 -2.032 -7.088 -2.440
55 HA GLU 7 HA GLU 7 -3.590 -6.246 -0.108
56 HB2 GLU 7 HB2 GLU 7 -3.178 -9.036 -0.543
57 HB3 GLU 7 HB3 GLU 7 -2.058 -8.588 0.731
58 HG2 GLU 7 HG2 GLU 7 -5.052 -7.980 0.744
59 HG3 GLU 7 HG3 GLU 7 -4.307 -9.386 1.499
60 H LYS 8 H LYS 8 -2.238 -5.878 1.771
61 HA LYS 8 HA LYS 8 -0.172 -4.102 1.359
62 HB2 LYS 8 HB2 LYS 8 0.170 -4.196 3.763
63 HB3 LYS 8 HB3 LYS 8 -1.549 -4.309 3.381
64 HG2 LYS 8 HG2 LYS 8 -1.357 -6.840 3.650
65 HG3 LYS 8 HG3 LYS 8 0.300 -6.599 4.176
66 HD2 LYS 8 HD2 LYS 8 -1.214 -6.939 6.060
67 HD3 LYS 8 HD3 LYS 8 -0.405 -5.380 6.132
68 HE2 LYS 8 HE2 LYS 8 -2.746 -5.258 6.850
69 HE3 LYS 8 HE3 LYS 8 -2.427 -4.210 5.465
70 HZ1 LYS 8 HZ1 LYS 8 -3.573 -5.740 4.029
71 HZ2 LYS 8 HZ2 LYS 8 -3.565 -6.929 5.020
72 HZ3 LYS 8 HZ3 LYS 8 -4.535 -5.622 5.362
73 H ARG 9 H ARG 9 2.023 -4.025 1.280
74 HA ARG 9 HA ARG 9 3.700 -6.402 1.624
75 HB2 ARG 9 HB2 ARG 9 2.557 -5.533 -0.771
76 HB3 ARG 9 HB3 ARG 9 3.938 -4.484 -0.675
77 HG2 ARG 9 HG2 ARG 9 4.366 -6.408 -1.979
78 HG3 ARG 9 HG3 ARG 9 5.431 -6.424 -0.576
79 HD2 ARG 9 HD2 ARG 9 4.367 -8.644 -1.393
80 HD3 ARG 9 HD3 ARG 9 4.418 -8.288 0.341
81 HE ARG 9 HE ARG 9 2.005 -7.508 0.100
82 HH11 ARG 9 HH11 ARG 9 3.103 -10.442 -1.471
83 HH12 ARG 9 HH12 ARG 9 1.430 -10.910 -1.775
84 HH21 ARG 9 HH21 ARG 9 0.061 -7.944 -0.855
85 HH22 ARG 9 HH22 ARG 9 -0.200 -9.586 -1.451
86 H MET 10 H MET 10 6.101 -5.602 1.396
87 HA MET 10 HA MET 10 6.511 -2.796 2.104
88 HB2 MET 10 HB2 MET 10 7.609 -3.258 4.205
89 HB3 MET 10 HB3 MET 10 5.939 -3.799 4.269
90 HG2 MET 10 HG2 MET 10 8.341 -5.622 3.835
91 HG3 MET 10 HG3 MET 10 7.571 -5.311 5.382
92 HE1 MET 10 HE1 MET 10 7.495 -7.930 5.746
93 HE2 MET 10 HE2 MET 10 6.711 -9.060 4.619
94 HE3 MET 10 HE3 MET 10 8.185 -8.194 4.126
95 H PHE 11 H PHE 11 8.456 -2.021 1.649
96 HA PHE 11 HA PHE 11 10.415 -3.662 0.191
97 HB2 PHE 11 HB2 PHE 11 10.268 -0.713 0.908
98 HB3 PHE 11 HB3 PHE 11 11.559 -1.444 -0.027
99 HD1 PHE 11 HD2 PHE 11 10.895 -2.781 -2.168
100 HD2 PHE 11 HD1 PHE 11 8.401 0.230 -0.326
101 HE1 PHE 11 HE2 PHE 11 9.663 -2.487 -4.299
102 HE2 PHE 11 HE1 PHE 11 7.244 0.561 -2.485
103 HZ PHE 11 HZ PHE 11 7.849 -0.791 -4.456
104 H ALA 12 H ALA 12 12.543 -4.079 0.911
105 HA ALA 12 HA ALA 12 13.051 -4.426 3.645
106 HB1 ALA 12 HB1 ALA 12 14.147 -5.666 1.814
107 HB2 ALA 12 HB2 ALA 12 15.000 -4.185 1.311
108 HB3 ALA 12 HB3 ALA 12 15.344 -4.921 2.889
109 H ASN 13 H ASN 13 13.376 -1.499 1.795
110 HA ASN 13 HA ASN 13 15.164 -0.035 3.520
111 HB2 ASN 13 HB2 ASN 13 12.831 0.916 1.810
112 HB3 ASN 13 HB3 ASN 13 14.136 1.921 2.422
113 HD21 ASN 13 HD21 ASN 13 14.996 1.173 -1.088
114 H GLY 14 H GLY 14 11.948 -1.213 4.105
115 HA2 GLY 14 HA2 GLY 14 10.526 -0.805 5.905
116 HA3 GLY 14 HA3 GLY 14 11.513 0.587 6.405
117 H THR 15 H THR 15 9.407 -0.491 3.610
118 HA THR 15 HA THR 15 7.963 2.070 3.772
119 HB THR 15 HB THR 15 9.428 1.294 1.226
120 HG1 THR 15 HG1 THR 15 10.151 2.739 3.363
121 HG21 THR 15 HG21 THR 15 7.246 2.407 0.783
122 HG22 THR 15 HG22 THR 15 7.700 3.720 1.892
123 HG23 THR 15 HG23 THR 15 8.605 3.467 0.387
124 H VAL 16 H VAL 16 5.838 1.609 3.559
125 HA VAL 16 HA VAL 16 5.124 -1.131 2.724
126 HB VAL 16 HB VAL 16 3.746 1.024 4.352
127 HG11 VAL 16 HG11 VAL 16 2.544 -1.651 3.500
128 HG12 VAL 16 HG12 VAL 16 1.897 -0.585 4.762
129 HG13 VAL 16 HG13 VAL 16 1.925 -0.034 3.088
130 HG21 VAL 16 HG21 VAL 16 3.878 -0.688 6.120
131 HG22 VAL 16 HG22 VAL 16 4.588 -1.844 4.975
132 HG23 VAL 16 HG23 VAL 16 5.490 -0.389 5.460
133 H TYR 17 H TYR 17 3.665 -1.637 1.204
134 HA TYR 17 HA TYR 17 2.262 0.357 -0.403
135 HB2 TYR 17 HB2 TYR 17 3.244 -0.322 -2.522
136 HB3 TYR 17 HB3 TYR 17 4.501 0.271 -1.464
137 HD1 TYR 17 HD1 TYR 17 6.031 -1.218 -0.334
138 HD2 TYR 17 HD2 TYR 17 3.326 -2.678 -3.363
139 HE1 TYR 17 HE1 TYR 17 7.537 -3.157 -0.739
140 HE2 TYR 17 HE2 TYR 17 4.804 -4.688 -3.664
141 HH TYR 17 HH TYR 17 7.868 -5.082 -1.930
142 H TYR 18 H TYR 18 1.181 -1.129 -2.343
143 HA TYR 18 HA TYR 18 0.235 -3.667 -1.094
144 HB2 TYR 18 HB2 TYR 18 -1.361 -1.602 -2.643
145 HB3 TYR 18 HB3 TYR 18 -1.967 -3.142 -2.024
146 HD1 TYR 18 HD2 TYR 18 -0.615 0.192 -1.040
147 HD2 TYR 18 HD1 TYR 18 -2.513 -3.423 0.329
148 HE1 TYR 18 HE2 TYR 18 -0.708 1.130 1.213
149 HE2 TYR 18 HE1 TYR 18 -2.730 -2.436 2.601
150 HH TYR 18 HH TYR 18 -1.269 0.697 3.443
151 H PHE 19 H PHE 19 0.067 -5.421 -2.348
152 HA PHE 19 HA PHE 19 1.113 -5.278 -5.142
153 HB2 PHE 19 HB2 PHE 19 2.859 -5.679 -3.511
154 HB3 PHE 19 HB3 PHE 19 1.936 -6.961 -2.772
155 HD1 PHE 19 HD2 PHE 19 1.581 -9.162 -4.026
156 HD2 PHE 19 HD1 PHE 19 4.440 -6.170 -5.270
157 HE1 PHE 19 HE2 PHE 19 2.937 -10.886 -5.214
158 HE2 PHE 19 HE1 PHE 19 5.681 -7.850 -6.514
159 HZ PHE 19 HZ PHE 19 4.962 -10.240 -6.459
160 H ASN 20 H ASN 20 0.006 -6.368 -6.538
161 HA ASN 20 HA ASN 20 -2.141 -8.203 -5.937
162 HB2 ASN 20 HB2 ASN 20 -2.101 -6.543 -7.833
163 HB3 ASN 20 HB3 ASN 20 -0.804 -7.466 -8.563
164 HD21 ASN 20 HD22 ASN 20 -4.221 -7.454 -7.732
165 HD22 ASN 20 HD21 ASN 20 -4.667 -8.871 -8.631
166 H HIS 21 H HIS 21 -1.300 -10.045 -4.899
167 HA HIS 21 HA HIS 21 1.006 -11.405 -6.105
168 HB2 HIS 21 HB2 HIS 21 0.646 -13.087 -4.265
169 HB3 HIS 21 HB3 HIS 21 1.084 -11.460 -3.822
170 HD2 HIS 21 HD2 HIS 21 -2.414 -13.121 -4.339
171 HE1 HIS 21 HE1 HIS 21 -2.375 -11.129 -0.564
172 HE2 HIS 21 HE2 HIS 21 -3.799 -12.489 -2.175
173 H ILE 22 H ILE 22 -1.298 -11.082 -7.822
174 HA ILE 22 HA ILE 22 -1.462 -13.927 -8.688
175 HB ILE 22 HB ILE 22 -3.452 -11.710 -9.313
176 HG12 ILE 22 HG12 ILE 22 -3.690 -14.078 -7.406
177 HG13 ILE 22 HG13 ILE 22 -3.635 -12.374 -6.953
178 HG21 ILE 22 HG21 ILE 22 -3.504 -14.685 -9.977
179 HG22 ILE 22 HG22 ILE 22 -4.796 -13.516 -10.340
180 HG23 ILE 22 HG23 ILE 22 -3.249 -13.363 -11.137
181 HD11 ILE 22 HD11 ILE 22 -5.900 -13.783 -8.389
182 HD12 ILE 22 HD12 ILE 22 -5.899 -13.038 -6.788
183 HD13 ILE 22 HD13 ILE 22 -5.779 -12.012 -8.233
184 H THR 23 H THR 23 -0.465 -10.640 -9.381
185 HA THR 23 HA THR 23 0.597 -11.441 -12.067
186 HB THR 23 HB THR 23 0.010 -9.186 -12.858
187 HG1 THR 23 HG1 THR 23 -1.423 -8.955 -10.425
188 HG21 THR 23 HG21 THR 23 -2.460 -10.543 -11.691
189 HG22 THR 23 HG22 THR 23 -2.396 -9.395 -13.043
190 HG23 THR 23 HG23 THR 23 -1.657 -10.999 -13.207
191 H ASN 24 H ASN 24 1.295 -9.850 -9.051
192 HA ASN 24 HA ASN 24 3.087 -8.953 -8.163
193 HB2 ASN 24 HB2 ASN 24 4.541 -8.759 -10.817
194 HB3 ASN 24 HB3 ASN 24 5.208 -8.587 -9.206
195 HD21 ASN 24 HD22 ASN 24 3.973 -10.878 -11.562
196 HD22 ASN 24 HD21 ASN 24 4.741 -12.292 -10.804
197 H ALA 25 H ALA 25 0.948 -7.478 -10.292
198 HA ALA 25 HA ALA 25 2.080 -4.905 -10.653
199 HB1 ALA 25 HB1 ALA 25 -0.011 -5.688 -11.728
200 HB2 ALA 25 HB2 ALA 25 -0.830 -5.681 -10.150
201 HB3 ALA 25 HB3 ALA 25 -0.258 -4.158 -10.860
202 H SER 26 H SER 26 2.548 -3.224 -9.217
203 HA SER 26 HA SER 26 1.502 -3.360 -6.449
204 HB2 SER 26 HB2 SER 26 4.082 -3.100 -5.869
205 HB3 SER 26 HB3 SER 26 3.226 -4.638 -5.942
206 HG SER 26 HG SER 26 4.106 -5.061 -7.975
207 H GLN 27 H GLN 27 1.463 -1.517 -5.352
208 HA GLN 27 HA GLN 27 2.711 0.946 -6.215
209 HB2 GLN 27 HB2 GLN 27 0.063 0.194 -7.306
210 HB3 GLN 27 HB3 GLN 27 -0.050 1.657 -6.357
211 HG2 GLN 27 HG2 GLN 27 1.893 1.235 -8.664
212 HG3 GLN 27 HG3 GLN 27 0.358 2.086 -8.753
213 HE21 GLN 27 HE22 GLN 27 2.374 3.624 -9.628
214 HE22 GLN 27 HE21 GLN 27 2.843 4.740 -8.354
215 H PHE 28 H PHE 28 1.838 2.798 -4.896
216 HA PHE 28 HA PHE 28 1.491 1.998 -2.106
217 HB2 PHE 28 HB2 PHE 28 1.633 4.753 -3.359
218 HB3 PHE 28 HB3 PHE 28 1.802 4.356 -1.647
219 HD1 PHE 28 HD1 PHE 28 3.691 2.610 -1.000
220 HD2 PHE 28 HD2 PHE 28 3.597 4.829 -4.709
221 HE1 PHE 28 HE1 PHE 28 6.074 2.208 -1.292
222 HE2 PHE 28 HE2 PHE 28 6.019 4.397 -5.008
223 HZ PHE 28 HZ PHE 28 7.275 3.085 -3.307
224 H GLU 29 H GLU 29 -0.736 2.026 -4.458
225 HA GLU 29 HA GLU 29 -3.017 3.473 -3.644
226 HB2 GLU 29 HB2 GLU 29 -2.818 2.299 -5.777
227 HB3 GLU 29 HB3 GLU 29 -2.614 0.760 -4.953
228 HG2 GLU 29 HG2 GLU 29 -4.793 0.707 -5.768
229 HG3 GLU 29 HG3 GLU 29 -4.991 1.014 -4.052
230 H ARG 30 H ARG 30 -3.779 3.504 -1.615
231 HA ARG 30 HA ARG 30 -3.508 1.189 0.177
232 HB2 ARG 30 HB2 ARG 30 -2.569 3.360 0.754
233 HB3 ARG 30 HB3 ARG 30 -4.131 4.153 0.522
234 HG2 ARG 30 HG2 ARG 30 -5.044 3.005 2.481
235 HG3 ARG 30 HG3 ARG 30 -3.505 2.136 2.714
236 HD2 ARG 30 HD2 ARG 30 -2.326 4.116 3.262
237 HD3 ARG 30 HD3 ARG 30 -3.589 5.167 2.630
238 HE ARG 30 HE ARG 30 -3.548 3.824 5.252
239 HH11 ARG 30 HH11 ARG 30 -5.537 5.654 2.991
240 HH12 ARG 30 HH12 ARG 30 -6.745 6.017 4.212
241 HH21 ARG 30 HH21 ARG 30 -5.158 4.319 6.771
242 HH22 ARG 30 HH22 ARG 30 -6.549 5.243 6.245
243 HA PRO 31 HA PRO 31 -7.587 -0.243 -0.052
244 HB2 PRO 31 HB2 PRO 31 -7.859 -0.074 2.940
245 HB3 PRO 31 HB3 PRO 31 -8.318 -1.405 1.832
246 HG2 PRO 31 HG2 PRO 31 -5.979 -1.481 3.200
247 HG3 PRO 31 HG3 PRO 31 -6.038 -1.985 1.487
248 HD2 PRO 31 HD2 PRO 31 -5.047 0.586 2.665
249 HD3 PRO 31 HD3 PRO 31 -4.397 -0.359 1.291
250 H SER 32 H SER 32 -8.133 1.730 2.560
251 HA SER 32 HA SER 32 -9.459 4.023 1.494
252 HB2 SER 32 HB2 SER 32 -11.324 1.781 2.386
253 HB3 SER 32 HB3 SER 32 -11.829 3.482 2.313
254 HG SER 32 HG SER 32 -10.587 2.188 0.123
255 H GLY 33 H GLY 33 -10.759 5.209 3.311
256 HA2 GLY 33 HA2 GLY 33 -10.804 6.150 5.408
257 HA3 GLY 33 HA3 GLY 33 -10.194 4.630 6.089
258 H1 NAG 101 H1 NAG 34 12.270 0.760 -0.208
259 H2 NAG 101 H2 NAG 34 13.164 3.472 -1.350
260 H3 NAG 101 H3 NAG 34 10.391 2.279 -0.954
261 H4 NAG 101 H4 NAG 34 11.931 3.059 -3.487
262 H5 NAG 101 H5 NAG 34 10.945 0.398 -2.386
263 H61 NAG 101 H61 NAG 34 12.104 -0.729 -4.175
264 H62 NAG 101 H62 NAG 34 10.983 0.426 -4.899
265 H81 NAG 101 H2M NAG 34 11.973 5.306 2.548
266 H82 NAG 101 H3M NAG 34 13.712 5.313 2.915
267 H83 NAG 101 H1M NAG 34 12.755 3.843 3.190
268 HN2 NAG 101 H2N NAG 34 11.522 3.082 1.144
269 HO3 NAG 101 H3O NAG 34 10.716 4.679 -0.652
270 HO4 NAG 101 H4O NAG 34 9.625 3.422 -3.211
271 HO6 NAG 101 H6O NAG 34 13.748 0.927 -4.336
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -5.266 2.982 -3.783
2 H2 LYS 1 H2 LYS 1 -6.009 4.221 -2.998
3 H3 LYS 1 H3 LYS 1 -5.876 4.257 -4.616
4 HA LYS 1 HA LYS 1 -7.591 2.486 -3.016
5 HB2 LYS 1 HB2 LYS 1 -9.433 3.445 -4.271
6 HB3 LYS 1 HB3 LYS 1 -8.457 4.732 -3.563
7 HG2 LYS 1 HG2 LYS 1 -7.245 4.656 -5.957
8 HG3 LYS 1 HG3 LYS 1 -8.741 3.911 -6.466
9 HD2 LYS 1 HD2 LYS 1 -10.017 5.845 -5.989
10 HD3 LYS 1 HD3 LYS 1 -8.778 6.550 -4.937
11 HE2 LYS 1 HE2 LYS 1 -8.272 6.020 -7.886
12 HE3 LYS 1 HE3 LYS 1 -9.020 7.524 -7.329
13 HZ1 LYS 1 HZ1 LYS 1 -6.530 7.594 -7.557
14 HZ2 LYS 1 HZ2 LYS 1 -7.085 8.044 -6.076
15 HZ3 LYS 1 HZ3 LYS 1 -6.400 6.582 -6.257
16 H LEU 2 H LEU 2 -8.251 0.471 -3.819
17 HA LEU 2 HA LEU 2 -7.543 -0.339 -6.494
18 HB2 LEU 2 HB2 LEU 2 -5.821 -2.006 -5.626
19 HB3 LEU 2 HB3 LEU 2 -5.359 -0.327 -5.710
20 HG LEU 2 HG LEU 2 -5.829 -0.187 -3.139
21 HD11 LEU 2 HD11 LEU 2 -7.057 -2.099 -2.592
22 HD12 LEU 2 HD12 LEU 2 -6.058 -3.167 -3.559
23 HD13 LEU 2 HD13 LEU 2 -5.418 -2.485 -2.056
24 HD21 LEU 2 HD21 LEU 2 -3.581 -1.851 -4.263
25 HD22 LEU 2 HD22 LEU 2 -3.659 -0.082 -4.132
26 HD23 LEU 2 HD23 LEU 2 -3.646 -1.047 -2.670
27 HA PRO 3 HA PRO 3 -10.454 -3.492 -5.277
28 HB2 PRO 3 HB2 PRO 3 -10.307 -5.250 -7.341
29 HB3 PRO 3 HB3 PRO 3 -10.796 -3.548 -7.601
30 HG2 PRO 3 HG2 PRO 3 -8.047 -4.778 -7.954
31 HG3 PRO 3 HG3 PRO 3 -8.955 -3.771 -9.124
32 HD2 PRO 3 HD2 PRO 3 -7.069 -2.723 -7.420
33 HD3 PRO 3 HD3 PRO 3 -8.515 -1.807 -7.932
34 HA PRO 4 HA PRO 4 -8.790 -7.110 -3.161
35 HB2 PRO 4 HB2 PRO 4 -10.666 -8.699 -4.929
36 HB3 PRO 4 HB3 PRO 4 -10.355 -8.878 -3.171
37 HG2 PRO 4 HG2 PRO 4 -12.550 -7.548 -4.014
38 HG3 PRO 4 HG3 PRO 4 -11.559 -6.864 -2.682
39 HD2 PRO 4 HD2 PRO 4 -11.568 -6.104 -5.606
40 HD3 PRO 4 HD3 PRO 4 -11.526 -5.048 -4.162
41 H GLY 5 H GLY 5 -7.150 -8.550 -3.393
42 HA2 GLY 5 HA2 GLY 5 -5.864 -10.188 -4.712
43 HA3 GLY 5 HA3 GLY 5 -6.104 -9.158 -6.133
44 H TRP 6 H TRP 6 -5.701 -6.622 -4.798
45 HA TRP 6 HA TRP 6 -2.781 -6.488 -4.468
46 HB2 TRP 6 HB2 TRP 6 -5.069 -4.602 -4.764
47 HB3 TRP 6 HB3 TRP 6 -3.691 -4.041 -3.835
48 HD1 TRP 6 HD1 TRP 6 -1.352 -3.799 -5.134
49 HE1 TRP 6 HE1 TRP 6 -0.810 -3.363 -7.596
50 HE3 TRP 6 HE3 TRP 6 -5.863 -5.047 -7.164
51 HZ2 TRP 6 HZ2 TRP 6 -2.210 -3.392 -10.127
52 HZ3 TRP 6 HZ3 TRP 6 -6.224 -4.874 -9.632
53 HH2 TRP 6 HH2 TRP 6 -4.409 -4.051 -11.105
54 H GLU 7 H GLU 7 -1.914 -7.105 -2.555
55 HA GLU 7 HA GLU 7 -3.494 -6.676 -0.067
56 HB2 GLU 7 HB2 GLU 7 -3.035 -8.988 -1.068
57 HB3 GLU 7 HB3 GLU 7 -1.343 -8.740 -0.619
58 HG2 GLU 7 HG2 GLU 7 -2.124 -8.412 1.769
59 HG3 GLU 7 HG3 GLU 7 -3.770 -8.757 1.237
60 H LYS 8 H LYS 8 -2.547 -5.794 1.726
61 HA LYS 8 HA LYS 8 -0.618 -3.798 1.426
62 HB2 LYS 8 HB2 LYS 8 -2.427 -3.954 3.169
63 HB3 LYS 8 HB3 LYS 8 -1.447 -5.159 4.019
64 HG2 LYS 8 HG2 LYS 8 0.423 -3.362 4.066
65 HG3 LYS 8 HG3 LYS 8 -0.803 -2.215 3.525
66 HD2 LYS 8 HD2 LYS 8 -0.884 -3.913 6.058
67 HD3 LYS 8 HD3 LYS 8 -0.440 -2.214 6.002
68 HE2 LYS 8 HE2 LYS 8 -3.175 -3.263 5.139
69 HE3 LYS 8 HE3 LYS 8 -2.804 -2.756 6.787
70 HZ1 LYS 8 HZ1 LYS 8 -2.659 -1.007 4.395
71 HZ2 LYS 8 HZ2 LYS 8 -3.822 -0.983 5.528
72 HZ3 LYS 8 HZ3 LYS 8 -2.288 -0.546 5.944
73 H ARG 9 H ARG 9 1.568 -3.795 1.289
74 HA ARG 9 HA ARG 9 3.205 -6.013 2.346
75 HB2 ARG 9 HB2 ARG 9 2.261 -5.693 -0.260
76 HB3 ARG 9 HB3 ARG 9 3.657 -4.654 -0.292
77 HG2 ARG 9 HG2 ARG 9 4.434 -6.604 -1.062
78 HG3 ARG 9 HG3 ARG 9 4.956 -6.721 0.614
79 HD2 ARG 9 HD2 ARG 9 2.910 -8.296 -0.951
80 HD3 ARG 9 HD3 ARG 9 4.121 -8.888 0.177
81 HE ARG 9 HE ARG 9 2.230 -7.438 1.706
82 HH11 ARG 9 HH21 ARG 9 1.750 -10.301 -0.410
83 HH12 ARG 9 HH22 ARG 9 0.306 -10.647 0.582
84 HH21 ARG 9 HH12 ARG 9 0.486 -8.130 2.711
85 HH22 ARG 9 HH11 ARG 9 -0.246 -9.678 2.147
86 H MET 10 H MET 10 5.606 -5.417 2.193
87 HA MET 10 HA MET 10 6.163 -2.571 2.683
88 HB2 MET 10 HB2 MET 10 5.145 -3.389 4.756
89 HB3 MET 10 HB3 MET 10 6.278 -4.733 4.835
90 HG2 MET 10 HG2 MET 10 7.308 -1.886 4.774
91 HG3 MET 10 HG3 MET 10 6.624 -2.553 6.256
92 HE1 MET 10 HE1 MET 10 8.845 -2.064 7.593
93 HE2 MET 10 HE2 MET 10 10.453 -2.569 7.021
94 HE3 MET 10 HE3 MET 10 9.523 -1.368 6.100
95 H PHE 11 H PHE 11 8.139 -2.069 2.090
96 HA PHE 11 HA PHE 11 10.159 -4.085 1.351
97 HB2 PHE 11 HB2 PHE 11 10.039 -1.060 1.120
98 HB3 PHE 11 HB3 PHE 11 11.389 -2.053 0.600
99 HD1 PHE 11 HD1 PHE 11 10.840 -4.024 -1.066
100 HD2 PHE 11 HD2 PHE 11 8.395 -0.493 -0.535
101 HE1 PHE 11 HE1 PHE 11 9.906 -4.318 -3.343
102 HE2 PHE 11 HE2 PHE 11 7.508 -0.794 -2.832
103 HZ PHE 11 HZ PHE 11 8.256 -2.684 -4.228
104 H ALA 12 H ALA 12 11.895 -4.566 2.701
105 HA ALA 12 HA ALA 12 12.266 -3.609 5.301
106 HB1 ALA 12 HB1 ALA 12 14.313 -4.758 3.353
107 HB2 ALA 12 HB2 ALA 12 14.477 -4.680 5.119
108 HB3 ALA 12 HB3 ALA 12 13.216 -5.696 4.396
109 H ASN 13 H ASN 13 13.106 -2.046 2.354
110 HA ASN 13 HA ASN 13 15.024 -0.083 3.147
111 HB2 ASN 13 HB2 ASN 13 14.394 -0.810 0.832
112 HB3 ASN 13 HB3 ASN 13 12.770 -0.196 1.118
113 HD21 ASN 13 HD21 ASN 13 14.003 2.725 -0.564
114 H GLY 14 H GLY 14 11.764 -0.517 4.210
115 HA2 GLY 14 HA2 GLY 14 10.574 0.764 5.738
116 HA3 GLY 14 HA3 GLY 14 11.653 2.144 5.468
117 H THR 15 H THR 15 9.379 0.106 3.404
118 HA THR 15 HA THR 15 7.883 2.570 2.751
119 HB THR 15 HB THR 15 9.427 1.036 0.643
120 HG1 THR 15 HG1 THR 15 10.005 3.115 2.154
121 HG21 THR 15 HG21 THR 15 7.168 1.717 -0.205
122 HG22 THR 15 HG22 THR 15 7.509 3.385 0.301
123 HG23 THR 15 HG23 THR 15 8.482 2.616 -0.972
124 H VAL 16 H VAL 16 5.775 2.086 2.799
125 HA VAL 16 HA VAL 16 4.936 -0.744 2.507
126 HB VAL 16 HB VAL 16 3.741 1.687 3.839
127 HG11 VAL 16 HG11 VAL 16 2.198 -0.866 3.185
128 HG12 VAL 16 HG12 VAL 16 1.687 0.387 4.332
129 HG13 VAL 16 HG13 VAL 16 1.812 0.777 2.618
130 HG21 VAL 16 HG21 VAL 16 5.270 0.117 5.074
131 HG22 VAL 16 HG22 VAL 16 3.629 0.133 5.742
132 HG23 VAL 16 HG23 VAL 16 4.143 -1.212 4.702
133 H TYR 17 H TYR 17 3.399 -1.404 1.112
134 HA TYR 17 HA TYR 17 2.272 0.337 -0.942
135 HB2 TYR 17 HB2 TYR 17 3.335 -0.820 -2.804
136 HB3 TYR 17 HB3 TYR 17 4.557 -0.089 -1.781
137 HD1 TYR 17 HD1 TYR 17 5.822 -1.480 -0.117
138 HD2 TYR 17 HD2 TYR 17 3.510 -3.205 -3.324
139 HE1 TYR 17 HE1 TYR 17 7.207 -3.523 -0.011
140 HE2 TYR 17 HE2 TYR 17 4.975 -5.233 -3.261
141 HH TYR 17 HH TYR 17 7.742 -5.494 -1.058
142 H TYR 18 H TYR 18 1.005 -1.210 -2.520
143 HA TYR 18 HA TYR 18 0.105 -3.688 -1.133
144 HB2 TYR 18 HB2 TYR 18 -1.343 -1.831 -3.037
145 HB3 TYR 18 HB3 TYR 18 -1.940 -3.414 -2.532
146 HD1 TYR 18 HD2 TYR 18 -0.618 -0.230 -1.023
147 HD2 TYR 18 HD1 TYR 18 -3.424 -3.487 -0.705
148 HE1 TYR 18 HE2 TYR 18 -1.215 0.541 1.178
149 HE2 TYR 18 HE1 TYR 18 -4.284 -2.508 1.411
150 HH TYR 18 HH TYR 18 -4.150 -0.707 2.936
151 H PHE 19 H PHE 19 0.140 -5.583 -2.203
152 HA PHE 19 HA PHE 19 1.445 -5.609 -4.902
153 HB2 PHE 19 HB2 PHE 19 2.861 -6.216 -2.961
154 HB3 PHE 19 HB3 PHE 19 1.705 -7.470 -2.527
155 HD1 PHE 19 HD2 PHE 19 4.024 -6.340 -5.261
156 HD2 PHE 19 HD1 PHE 19 1.822 -9.626 -3.531
157 HE1 PHE 19 HE2 PHE 19 5.260 -7.932 -6.699
158 HE2 PHE 19 HE1 PHE 19 3.062 -11.221 -4.982
159 HZ PHE 19 HZ PHE 19 4.798 -10.379 -6.547
160 H ASN 20 H ASN 20 0.121 -6.343 -6.460
161 HA ASN 20 HA ASN 20 -2.211 -7.950 -5.938
162 HB2 ASN 20 HB2 ASN 20 -2.008 -6.271 -7.754
163 HB3 ASN 20 HB3 ASN 20 -0.816 -7.282 -8.539
164 HD21 ASN 20 HD22 ASN 20 -4.177 -6.578 -8.430
165 HD22 ASN 20 HD21 ASN 20 -4.678 -8.089 -9.161
166 H HIS 21 H HIS 21 -1.523 -9.874 -4.866
167 HA HIS 21 HA HIS 21 0.688 -11.413 -5.960
168 HB2 HIS 21 HB2 HIS 21 0.091 -13.083 -4.253
169 HB3 HIS 21 HB3 HIS 21 0.302 -11.463 -3.622
170 HD2 HIS 21 HD2 HIS 21 -2.678 -13.787 -4.621
171 HE1 HIS 21 HE1 HIS 21 -3.887 -11.299 -1.366
172 HE2 HIS 21 HE2 HIS 21 -4.599 -13.213 -2.890
173 H ILE 22 H ILE 22 -2.085 -10.975 -7.549
174 HA ILE 22 HA ILE 22 -2.291 -13.758 -8.568
175 HB ILE 22 HB ILE 22 -3.933 -11.306 -9.314
176 HG12 ILE 22 HG12 ILE 22 -4.639 -13.504 -7.317
177 HG13 ILE 22 HG13 ILE 22 -4.238 -11.841 -6.894
178 HG21 ILE 22 HG21 ILE 22 -4.421 -14.277 -9.792
179 HG22 ILE 22 HG22 ILE 22 -5.518 -12.955 -10.256
180 HG23 ILE 22 HG23 ILE 22 -3.954 -13.087 -11.025
181 HD11 ILE 22 HD11 ILE 22 -6.715 -12.741 -8.380
182 HD12 ILE 22 HD12 ILE 22 -6.587 -12.018 -6.773
183 HD13 ILE 22 HD13 ILE 22 -6.212 -11.038 -8.203
184 H THR 23 H THR 23 -0.812 -10.665 -9.221
185 HA THR 23 HA THR 23 0.061 -11.569 -11.957
186 HB THR 23 HB THR 23 -0.239 -9.245 -12.723
187 HG1 THR 23 HG1 THR 23 -1.578 -8.868 -10.262
188 HG21 THR 23 HG21 THR 23 -2.838 -10.282 -11.510
189 HG22 THR 23 HG22 THR 23 -2.654 -9.140 -12.857
190 HG23 THR 23 HG23 THR 23 -2.134 -10.826 -13.047
191 H ASN 24 H ASN 24 1.021 -10.069 -8.986
192 HA ASN 24 HA ASN 24 2.927 -9.424 -8.122
193 HB2 ASN 24 HB2 ASN 24 4.356 -9.460 -10.800
194 HB3 ASN 24 HB3 ASN 24 5.067 -9.354 -9.204
195 HD21 ASN 24 HD22 ASN 24 3.498 -11.493 -11.495
196 HD22 ASN 24 HD21 ASN 24 4.055 -12.988 -10.706
197 H ALA 25 H ALA 25 0.930 -7.673 -10.106
198 HA ALA 25 HA ALA 25 2.482 -5.300 -10.516
199 HB1 ALA 25 HB1 ALA 25 -0.535 -5.655 -10.242
200 HB2 ALA 25 HB2 ALA 25 0.300 -4.255 -10.946
201 HB3 ALA 25 HB3 ALA 25 0.403 -5.840 -11.738
202 H SER 26 H SER 26 3.092 -3.661 -9.117
203 HA SER 26 HA SER 26 2.036 -3.744 -6.344
204 HB2 SER 26 HB2 SER 26 4.160 -2.766 -5.712
205 HB3 SER 26 HB3 SER 26 4.428 -4.235 -6.648
206 HG SER 26 HG SER 26 4.278 -1.703 -7.911
207 H GLN 27 H GLN 27 0.963 -2.047 -5.500
208 HA GLN 27 HA GLN 27 0.934 0.578 -6.936
209 HB2 GLN 27 HB2 GLN 27 -1.126 -0.591 -7.420
210 HB3 GLN 27 HB3 GLN 27 -1.339 -1.037 -5.728
211 HG2 GLN 27 HG2 GLN 27 -2.875 0.748 -6.373
212 HG3 GLN 27 HG3 GLN 27 -1.785 1.273 -5.101
213 HE21 GLN 27 HE22 GLN 27 -2.916 1.950 -8.369
214 HE22 GLN 27 HE21 GLN 27 -1.797 3.287 -8.597
215 H PHE 28 H PHE 28 1.532 2.258 -5.668
216 HA PHE 28 HA PHE 28 1.966 1.866 -2.774
217 HB2 PHE 28 HB2 PHE 28 2.495 4.205 -4.637
218 HB3 PHE 28 HB3 PHE 28 2.864 4.184 -2.916
219 HD1 PHE 28 HD2 PHE 28 4.435 2.377 -1.989
220 HD2 PHE 28 HD1 PHE 28 4.068 3.259 -6.202
221 HE1 PHE 28 HE2 PHE 28 6.586 1.263 -2.412
222 HE2 PHE 28 HE1 PHE 28 6.247 2.149 -6.614
223 HZ PHE 28 HZ PHE 28 7.522 1.159 -4.723
224 H GLU 29 H GLU 29 -0.418 3.493 -4.924
225 HA GLU 29 HA GLU 29 -1.399 5.201 -2.787
226 HB2 GLU 29 HB2 GLU 29 -1.364 5.543 -5.333
227 HB3 GLU 29 HB3 GLU 29 -2.792 4.527 -5.415
228 HG2 GLU 29 HG2 GLU 29 -2.632 7.006 -3.637
229 HG3 GLU 29 HG3 GLU 29 -3.014 7.118 -5.354
230 H ARG 30 H ARG 30 -2.277 4.276 -1.066
231 HA ARG 30 HA ARG 30 -3.402 1.700 -1.047
232 HB2 ARG 30 HB2 ARG 30 -3.414 1.894 1.281
233 HB3 ARG 30 HB3 ARG 30 -2.036 2.816 0.735
234 HG2 ARG 30 HG2 ARG 30 -4.699 3.942 1.732
235 HG3 ARG 30 HG3 ARG 30 -3.205 3.778 2.634
236 HD2 ARG 30 HD2 ARG 30 -3.189 5.988 2.111
237 HD3 ARG 30 HD3 ARG 30 -2.132 5.328 0.864
238 HE ARG 30 HE ARG 30 -4.464 5.330 -0.500
239 HH11 ARG 30 HH11 ARG 30 -3.523 7.851 1.757
240 HH12 ARG 30 HH12 ARG 30 -4.366 9.088 0.864
241 HH21 ARG 30 HH21 ARG 30 -5.182 6.957 -1.741
242 HH22 ARG 30 HH22 ARG 30 -5.405 8.570 -1.066
243 HA PRO 31 HA PRO 31 -7.885 2.502 -0.954
244 HB2 PRO 31 HB2 PRO 31 -8.823 0.127 -0.129
245 HB3 PRO 31 HB3 PRO 31 -7.853 0.193 -1.628
246 HG2 PRO 31 HG2 PRO 31 -6.899 -0.510 1.175
247 HG3 PRO 31 HG3 PRO 31 -6.643 -1.438 -0.322
248 HD2 PRO 31 HD2 PRO 31 -4.868 0.411 0.727
249 HD3 PRO 31 HD3 PRO 31 -4.928 0.006 -1.011
250 H SER 32 H SER 32 -9.754 1.962 0.888
251 HA SER 32 HA SER 32 -8.891 3.124 3.425
252 HB2 SER 32 HB2 SER 32 -11.262 2.923 3.995
253 HB3 SER 32 HB3 SER 32 -11.087 3.667 2.392
254 HG SER 32 HG SER 32 -11.545 0.931 2.948
255 H GLY 33 H GLY 33 -7.227 1.253 3.479
256 HA2 GLY 33 HA2 GLY 33 -7.874 -0.734 5.448
257 HA3 GLY 33 HA3 GLY 33 -7.908 -1.455 3.831
258 H1 NAG 101 H1 NAG 34 11.810 0.812 -0.339
259 H2 NAG 101 H2 NAG 34 12.588 2.609 -2.693
260 H3 NAG 101 H3 NAG 34 10.107 0.906 -2.121
261 H4 NAG 101 H4 NAG 34 12.261 0.821 -4.291
262 H5 NAG 101 H5 NAG 34 11.484 -1.132 -2.077
263 H61 NAG 101 H61 NAG 34 13.244 -2.549 -2.732
264 H62 NAG 101 H62 NAG 34 12.514 -2.116 -4.282
265 H81 NAG 101 H2M NAG 34 9.312 5.316 -0.652
266 H82 NAG 101 H3M NAG 34 10.332 6.506 -1.490
267 H83 NAG 101 H1M NAG 34 10.961 5.646 -0.070
268 HN2 NAG 101 H2N NAG 34 10.973 3.164 -0.303
269 HO3 NAG 101 H3O NAG 34 10.342 3.173 -3.614
270 HO4 NAG 101 H4O NAG 34 9.936 0.402 -4.655
271 HO6 NAG 101 H6O NAG 34 14.575 -0.572 -3.083
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -7.442 3.999 -2.380
2 H2 LYS 1 H2 LYS 1 -7.321 3.154 -0.980
3 H3 LYS 1 H3 LYS 1 -8.590 4.195 -1.202
4 HA LYS 1 HA LYS 1 -9.186 1.876 -1.360
5 HB2 LYS 1 HB2 LYS 1 -10.786 2.164 -2.918
6 HB3 LYS 1 HB3 LYS 1 -10.425 3.820 -2.546
7 HG2 LYS 1 HG2 LYS 1 -9.603 2.239 -5.005
8 HG3 LYS 1 HG3 LYS 1 -10.845 3.460 -4.922
9 HD2 LYS 1 HD2 LYS 1 -7.867 4.060 -4.609
10 HD3 LYS 1 HD3 LYS 1 -8.759 4.089 -6.101
11 HE2 LYS 1 HE2 LYS 1 -8.912 6.260 -5.710
12 HE3 LYS 1 HE3 LYS 1 -10.358 5.789 -4.812
13 HZ1 LYS 1 HZ1 LYS 1 -8.713 7.336 -3.659
14 HZ2 LYS 1 HZ2 LYS 1 -9.146 6.034 -2.769
15 HZ3 LYS 1 HZ3 LYS 1 -7.691 6.040 -3.509
16 H LEU 2 H LEU 2 -9.080 -0.177 -2.434
17 HA LEU 2 HA LEU 2 -7.581 -0.418 -4.842
18 HB2 LEU 2 HB2 LEU 2 -5.980 -2.113 -4.049
19 HB3 LEU 2 HB3 LEU 2 -5.678 -0.489 -3.486
20 HG LEU 2 HG LEU 2 -6.558 -1.140 -1.198
21 HD11 LEU 2 HD11 LEU 2 -7.914 -3.107 -1.503
22 HD12 LEU 2 HD12 LEU 2 -6.651 -3.909 -2.463
23 HD13 LEU 2 HD13 LEU 2 -6.417 -3.659 -0.736
24 HD21 LEU 2 HD21 LEU 2 -4.575 -2.295 -0.624
25 HD22 LEU 2 HD22 LEU 2 -4.290 -2.799 -2.295
26 HD23 LEU 2 HD23 LEU 2 -4.183 -1.084 -1.845
27 HA PRO 3 HA PRO 3 -10.521 -3.791 -4.987
28 HB2 PRO 3 HB2 PRO 3 -9.805 -5.071 -7.286
29 HB3 PRO 3 HB3 PRO 3 -10.443 -3.399 -7.282
30 HG2 PRO 3 HG2 PRO 3 -7.580 -4.324 -7.441
31 HG3 PRO 3 HG3 PRO 3 -8.388 -3.071 -8.424
32 HD2 PRO 3 HD2 PRO 3 -6.842 -2.524 -6.182
33 HD3 PRO 3 HD3 PRO 3 -8.180 -1.477 -6.746
34 HA PRO 4 HA PRO 4 -8.878 -7.387 -3.052
35 HB2 PRO 4 HB2 PRO 4 -10.179 -9.546 -4.220
36 HB3 PRO 4 HB3 PRO 4 -10.897 -8.431 -3.019
37 HG2 PRO 4 HG2 PRO 4 -11.124 -8.319 -6.037
38 HG3 PRO 4 HG3 PRO 4 -12.432 -8.161 -4.818
39 HD2 PRO 4 HD2 PRO 4 -11.339 -5.982 -5.954
40 HD3 PRO 4 HD3 PRO 4 -11.710 -5.979 -4.206
41 H GLY 5 H GLY 5 -7.174 -8.727 -3.129
42 HA2 GLY 5 HA2 GLY 5 -5.679 -10.287 -4.194
43 HA3 GLY 5 HA3 GLY 5 -5.955 -9.489 -5.742
44 H TRP 6 H TRP 6 -5.694 -6.733 -4.226
45 HA TRP 6 HA TRP 6 -2.765 -6.532 -4.275
46 HB2 TRP 6 HB2 TRP 6 -4.997 -4.520 -3.890
47 HB3 TRP 6 HB3 TRP 6 -3.284 -4.146 -3.919
48 HD1 TRP 6 HD1 TRP 6 -6.030 -5.491 -6.225
49 HE1 TRP 6 HE1 TRP 6 -5.524 -4.759 -8.652
50 HE3 TRP 6 HE3 TRP 6 -1.411 -3.389 -5.511
51 HZ2 TRP 6 HZ2 TRP 6 -3.402 -3.471 -10.081
52 HZ3 TRP 6 HZ3 TRP 6 -0.175 -2.435 -7.436
53 HH2 TRP 6 HH2 TRP 6 -1.156 -2.451 -9.708
54 H GLU 7 H GLU 7 -1.758 -7.283 -2.454
55 HA GLU 7 HA GLU 7 -3.081 -6.813 0.180
56 HB2 GLU 7 HB2 GLU 7 -3.115 -9.097 -0.806
57 HB3 GLU 7 HB3 GLU 7 -1.370 -9.159 -0.716
58 HG2 GLU 7 HG2 GLU 7 -3.249 -8.777 1.661
59 HG3 GLU 7 HG3 GLU 7 -2.669 -10.346 1.108
60 H LYS 8 H LYS 8 -1.755 -6.552 2.009
61 HA LYS 8 HA LYS 8 0.010 -4.379 1.771
62 HB2 LYS 8 HB2 LYS 8 -1.438 -4.542 3.577
63 HB3 LYS 8 HB3 LYS 8 -1.011 -6.167 3.987
64 HG2 LYS 8 HG2 LYS 8 0.898 -3.825 4.337
65 HG3 LYS 8 HG3 LYS 8 -0.314 -4.267 5.526
66 HD2 LYS 8 HD2 LYS 8 2.160 -5.848 4.781
67 HD3 LYS 8 HD3 LYS 8 1.714 -5.119 6.294
68 HE2 LYS 8 HE2 LYS 8 1.370 -7.334 6.735
69 HE3 LYS 8 HE3 LYS 8 -0.271 -6.785 6.391
70 HZ1 LYS 8 HZ1 LYS 8 0.717 -8.952 5.271
71 HZ2 LYS 8 HZ2 LYS 8 -0.275 -8.016 4.378
72 HZ3 LYS 8 HZ3 LYS 8 1.295 -7.860 4.154
73 H ARG 9 H ARG 9 2.078 -4.274 1.206
74 HA ARG 9 HA ARG 9 3.953 -6.497 1.766
75 HB2 ARG 9 HB2 ARG 9 2.765 -6.123 -0.570
76 HB3 ARG 9 HB3 ARG 9 3.785 -4.712 -0.679
77 HG2 ARG 9 HG2 ARG 9 4.783 -6.434 -1.884
78 HG3 ARG 9 HG3 ARG 9 5.795 -6.225 -0.463
79 HD2 ARG 9 HD2 ARG 9 5.535 -8.577 -1.074
80 HD3 ARG 9 HD3 ARG 9 4.876 -8.246 0.530
81 HE ARG 9 HE ARG 9 3.255 -8.607 -1.980
82 HH11 ARG 9 HH11 ARG 9 3.372 -9.133 1.552
83 HH12 ARG 9 HH12 ARG 9 1.624 -9.454 1.522
84 HH21 ARG 9 HH21 ARG 9 0.945 -8.989 -1.643
85 HH22 ARG 9 HH22 ARG 9 0.543 -9.528 -0.009
86 H MET 10 H MET 10 6.320 -5.666 1.428
87 HA MET 10 HA MET 10 6.717 -2.881 2.280
88 HB2 MET 10 HB2 MET 10 6.019 -4.237 4.277
89 HB3 MET 10 HB3 MET 10 7.436 -5.262 4.043
90 HG2 MET 10 HG2 MET 10 8.921 -3.402 4.528
91 HG3 MET 10 HG3 MET 10 7.571 -2.252 4.482
92 HE1 MET 10 HE1 MET 10 9.648 -2.452 7.012
93 HE2 MET 10 HE2 MET 10 8.330 -1.265 6.801
94 HE3 MET 10 HE3 MET 10 8.457 -2.204 8.304
95 H PHE 11 H PHE 11 8.617 -2.116 1.606
96 HA PHE 11 HA PHE 11 10.512 -3.799 0.133
97 HB2 PHE 11 HB2 PHE 11 10.272 -0.844 0.675
98 HB3 PHE 11 HB3 PHE 11 11.613 -1.543 -0.210
99 HD1 PHE 11 HD1 PHE 11 10.961 -3.165 -2.227
100 HD2 PHE 11 HD2 PHE 11 8.409 -0.047 -0.641
101 HE1 PHE 11 HE1 PHE 11 9.776 -3.005 -4.398
102 HE2 PHE 11 HE2 PHE 11 7.296 0.130 -2.836
103 HZ PHE 11 HZ PHE 11 7.970 -1.321 -4.707
104 H ALA 12 H ALA 12 12.816 -3.865 0.597
105 HA ALA 12 HA ALA 12 13.496 -4.362 3.273
106 HB1 ALA 12 HB1 ALA 12 15.772 -4.621 2.369
107 HB2 ALA 12 HB2 ALA 12 14.577 -5.377 1.302
108 HB3 ALA 12 HB3 ALA 12 15.289 -3.802 0.869
109 H ASN 13 H ASN 13 13.371 -1.257 1.748
110 HA ASN 13 HA ASN 13 15.168 0.030 3.705
111 HB2 ASN 13 HB2 ASN 13 14.604 2.090 2.485
112 HB3 ASN 13 HB3 ASN 13 15.175 0.831 1.393
113 HD21 ASN 13 HD21 ASN 13 14.117 2.192 -0.307
114 H GLY 14 H GLY 14 12.058 -1.225 3.932
115 HA2 GLY 14 HA2 GLY 14 10.749 -1.022 5.843
116 HA3 GLY 14 HA3 GLY 14 11.356 0.602 6.154
117 H THR 15 H THR 15 10.314 0.070 2.824
118 HA THR 15 HA THR 15 8.194 2.078 3.342
119 HB THR 15 HB THR 15 9.408 1.097 0.753
120 HG1 THR 15 HG1 THR 15 10.926 2.034 1.842
121 HG21 THR 15 HG21 THR 15 7.153 2.200 0.474
122 HG22 THR 15 HG22 THR 15 7.841 3.651 1.236
123 HG23 THR 15 HG23 THR 15 8.502 3.039 -0.305
124 H VAL 16 H VAL 16 6.068 1.512 3.437
125 HA VAL 16 HA VAL 16 5.308 -1.222 2.615
126 HB VAL 16 HB VAL 16 4.101 0.851 4.450
127 HG11 VAL 16 HG11 VAL 16 2.210 -0.695 4.891
128 HG12 VAL 16 HG12 VAL 16 2.133 -0.020 3.264
129 HG13 VAL 16 HG13 VAL 16 2.697 -1.691 3.506
130 HG21 VAL 16 HG21 VAL 16 4.280 -1.009 6.062
131 HG22 VAL 16 HG22 VAL 16 4.826 -2.099 4.771
132 HG23 VAL 16 HG23 VAL 16 5.847 -0.732 5.291
133 H TYR 17 H TYR 17 3.718 -1.732 1.242
134 HA TYR 17 HA TYR 17 2.250 0.250 -0.333
135 HB2 TYR 17 HB2 TYR 17 3.198 -0.504 -2.466
136 HB3 TYR 17 HB3 TYR 17 4.446 0.181 -1.454
137 HD1 TYR 17 HD1 TYR 17 6.053 -1.283 -0.240
138 HD2 TYR 17 HD2 TYR 17 3.411 -2.809 -3.285
139 HE1 TYR 17 HE1 TYR 17 7.601 -3.157 -0.629
140 HE2 TYR 17 HE2 TYR 17 4.989 -4.732 -3.655
141 HH TYR 17 HH TYR 17 8.113 -4.929 -1.995
142 H TYR 18 H TYR 18 0.911 -1.108 -2.062
143 HA TYR 18 HA TYR 18 0.309 -3.820 -0.990
144 HB2 TYR 18 HB2 TYR 18 -1.475 -1.808 -2.367
145 HB3 TYR 18 HB3 TYR 18 -1.902 -3.502 -2.097
146 HD1 TYR 18 HD2 TYR 18 -0.680 -0.467 -0.267
147 HD2 TYR 18 HD1 TYR 18 -2.940 -4.133 -0.052
148 HE1 TYR 18 HE2 TYR 18 -1.004 -0.076 2.079
149 HE2 TYR 18 HE1 TYR 18 -3.475 -3.635 2.315
150 HH TYR 18 HH TYR 18 -1.964 -0.914 4.075
151 H PHE 19 H PHE 19 0.315 -5.519 -2.178
152 HA PHE 19 HA PHE 19 1.449 -5.357 -4.932
153 HB2 PHE 19 HB2 PHE 19 3.029 -5.929 -3.199
154 HB3 PHE 19 HB3 PHE 19 1.949 -7.152 -2.557
155 HD1 PHE 19 HD2 PHE 19 1.639 -9.350 -3.745
156 HD2 PHE 19 HD1 PHE 19 4.391 -6.342 -5.178
157 HE1 PHE 19 HE2 PHE 19 2.864 -11.069 -5.032
158 HE2 PHE 19 HE1 PHE 19 5.588 -8.042 -6.467
159 HZ PHE 19 HZ PHE 19 4.845 -10.440 -6.385
160 H ASN 20 H ASN 20 0.219 -6.214 -6.431
161 HA ASN 20 HA ASN 20 -2.141 -7.789 -5.872
162 HB2 ASN 20 HB2 ASN 20 -1.967 -6.112 -7.710
163 HB3 ASN 20 HB3 ASN 20 -0.790 -7.148 -8.498
164 HD21 ASN 20 HD22 ASN 20 -4.221 -6.758 -7.660
165 HD22 ASN 20 HD21 ASN 20 -4.736 -8.181 -8.561
166 H HIS 21 H HIS 21 -1.581 -9.755 -4.904
167 HA HIS 21 HA HIS 21 0.649 -11.321 -5.885
168 HB2 HIS 21 HB2 HIS 21 -0.058 -12.974 -4.234
169 HB3 HIS 21 HB3 HIS 21 0.051 -11.360 -3.567
170 HD2 HIS 21 HD2 HIS 21 -2.835 -13.590 -5.019
171 HE1 HIS 21 HE1 HIS 21 -4.317 -11.431 -1.648
172 HE2 HIS 21 HE2 HIS 21 -4.903 -13.158 -3.443
173 H ILE 22 H ILE 22 -1.943 -10.774 -7.690
174 HA ILE 22 HA ILE 22 -2.131 -13.548 -8.764
175 HB ILE 22 HB ILE 22 -3.858 -11.114 -9.364
176 HG12 ILE 22 HG12 ILE 22 -4.492 -13.498 -7.565
177 HG13 ILE 22 HG13 ILE 22 -4.128 -11.873 -6.992
178 HG21 ILE 22 HG21 ILE 22 -3.826 -12.732 -11.218
179 HG22 ILE 22 HG22 ILE 22 -4.217 -14.052 -10.095
180 HG23 ILE 22 HG23 ILE 22 -5.386 -12.754 -10.430
181 HD11 ILE 22 HD11 ILE 22 -6.589 -12.688 -8.551
182 HD12 ILE 22 HD12 ILE 22 -6.472 -12.112 -6.884
183 HD13 ILE 22 HD13 ILE 22 -6.122 -10.998 -8.219
184 H THR 23 H THR 23 -0.753 -10.396 -9.309
185 HA THR 23 HA THR 23 0.196 -11.165 -12.056
186 HB THR 23 HB THR 23 -0.158 -8.816 -12.720
187 HG1 THR 23 HG1 THR 23 -1.506 -8.543 -10.251
188 HG21 THR 23 HG21 THR 23 -2.573 -8.716 -12.837
189 HG22 THR 23 HG22 THR 23 -2.037 -10.384 -13.119
190 HG23 THR 23 HG23 THR 23 -2.745 -9.932 -11.556
191 H ASN 24 H ASN 24 1.160 -10.137 -8.967
192 HA ASN 24 HA ASN 24 2.835 -9.208 -8.024
193 HB2 ASN 24 HB2 ASN 24 5.058 -9.581 -8.665
194 HB3 ASN 24 HB3 ASN 24 4.128 -10.996 -9.139
195 HD21 ASN 24 HD22 ASN 24 5.172 -7.839 -10.551
196 HD22 ASN 24 HD21 ASN 24 5.698 -8.588 -12.077
197 H ALA 25 H ALA 25 1.074 -7.482 -9.941
198 HA ALA 25 HA ALA 25 2.747 -5.152 -10.356
199 HB1 ALA 25 HB1 ALA 25 -0.269 -5.369 -9.944
200 HB2 ALA 25 HB2 ALA 25 0.613 -3.993 -10.640
201 HB3 ALA 25 HB3 ALA 25 0.571 -5.543 -11.500
202 H SER 26 H SER 26 2.750 -3.153 -9.013
203 HA SER 26 HA SER 26 2.007 -3.510 -6.160
204 HB2 SER 26 HB2 SER 26 4.282 -2.874 -5.477
205 HB3 SER 26 HB3 SER 26 4.300 -4.386 -6.393
206 HG SER 26 HG SER 26 4.623 -1.876 -7.653
207 H GLN 27 H GLN 27 1.208 -1.637 -5.259
208 HA GLN 27 HA GLN 27 2.301 0.929 -6.122
209 HB2 GLN 27 HB2 GLN 27 -0.399 0.021 -6.972
210 HB3 GLN 27 HB3 GLN 27 -0.443 1.538 -6.096
211 HG2 GLN 27 HG2 GLN 27 1.263 0.968 -8.548
212 HG3 GLN 27 HG3 GLN 27 -0.217 1.919 -8.508
213 HE21 GLN 27 HE22 GLN 27 2.249 3.009 -9.516
214 HE22 GLN 27 HE21 GLN 27 2.722 4.240 -8.357
215 H PHE 28 H PHE 28 1.549 2.743 -4.819
216 HA PHE 28 HA PHE 28 1.774 1.914 -2.023
217 HB2 PHE 28 HB2 PHE 28 1.868 4.642 -3.351
218 HB3 PHE 28 HB3 PHE 28 2.252 4.309 -1.661
219 HD1 PHE 28 HD2 PHE 28 4.123 2.647 -1.113
220 HD2 PHE 28 HD1 PHE 28 3.574 4.368 -5.031
221 HE1 PHE 28 HE2 PHE 28 6.425 2.004 -1.721
222 HE2 PHE 28 HE1 PHE 28 5.904 3.752 -5.620
223 HZ PHE 28 HZ PHE 28 7.344 2.580 -3.965
224 H GLU 29 H GLU 29 -0.967 2.692 -3.941
225 HA GLU 29 HA GLU 29 -2.536 3.934 -1.843
226 HB2 GLU 29 HB2 GLU 29 -2.955 3.157 -4.609
227 HB3 GLU 29 HB3 GLU 29 -4.278 2.537 -3.629
228 HG2 GLU 29 HG2 GLU 29 -3.327 5.431 -3.453
229 HG3 GLU 29 HG3 GLU 29 -4.525 4.886 -4.621
230 H ARG 30 H ARG 30 -4.252 3.030 -0.742
231 HA ARG 30 HA ARG 30 -3.844 0.242 0.176
232 HB2 ARG 30 HB2 ARG 30 -3.368 0.768 2.343
233 HB3 ARG 30 HB3 ARG 30 -2.474 1.994 1.470
234 HG2 ARG 30 HG2 ARG 30 -5.073 2.277 3.004
235 HG3 ARG 30 HG3 ARG 30 -3.485 2.894 3.448
236 HD2 ARG 30 HD2 ARG 30 -3.584 4.671 1.910
237 HD3 ARG 30 HD3 ARG 30 -4.712 3.815 0.861
238 HE ARG 30 HE ARG 30 -5.757 4.587 3.484
239 HH11 ARG 30 HH11 ARG 30 -5.831 5.287 -0.087
240 HH12 ARG 30 HH12 ARG 30 -7.338 6.213 0.239
241 HH21 ARG 30 HH21 ARG 30 -7.885 5.408 3.382
242 HH22 ARG 30 HH22 ARG 30 -8.253 6.367 1.938
243 HA PRO 31 HA PRO 31 -8.253 -0.242 0.646
244 HB2 PRO 31 HB2 PRO 31 -7.838 -0.823 3.570
245 HB3 PRO 31 HB3 PRO 31 -8.781 -1.745 2.357
246 HG2 PRO 31 HG2 PRO 31 -6.351 -2.611 3.141
247 HG3 PRO 31 HG3 PRO 31 -6.791 -2.659 1.402
248 HD2 PRO 31 HD2 PRO 31 -5.146 -0.580 2.869
249 HD3 PRO 31 HD3 PRO 31 -4.797 -1.387 1.314
250 H SER 32 H SER 32 -10.165 0.497 2.032
251 HA SER 32 HA SER 32 -11.486 2.208 2.724
252 HB2 SER 32 HB2 SER 32 -10.855 3.837 4.323
253 HB3 SER 32 HB3 SER 32 -10.042 2.328 4.758
254 HG SER 32 HG SER 32 -8.247 3.175 3.461
255 H GLY 33 H GLY 33 -11.283 5.010 2.580
256 HA2 GLY 33 HA2 GLY 33 -11.779 5.436 -0.145
257 HA3 GLY 33 HA3 GLY 33 -11.489 6.704 1.053
258 H1 NAG 101 H1 NAG 34 11.406 1.036 -0.633
259 H2 NAG 101 H2 NAG 34 12.463 3.439 -2.209
260 H3 NAG 101 H3 NAG 34 9.876 1.794 -2.190
261 H4 NAG 101 H4 NAG 34 12.036 2.293 -4.277
262 H5 NAG 101 H5 NAG 34 11.250 -0.234 -2.783
263 H61 NAG 101 H61 NAG 34 13.092 -1.364 -3.758
264 H62 NAG 101 H62 NAG 34 12.283 -0.571 -5.112
265 H81 NAG 101 H2M NAG 34 11.004 5.790 1.098
266 H82 NAG 101 H3M NAG 34 9.331 5.688 0.503
267 H83 NAG 101 H1M NAG 34 10.385 7.016 -0.030
268 HN2 NAG 101 H2N NAG 34 10.876 3.456 0.231
269 HO3 NAG 101 H3O NAG 34 10.248 4.393 -2.966
270 HO4 NAG 101 H4O NAG 34 9.748 2.023 -4.804
271 HO6 NAG 101 H6O NAG 34 14.415 0.595 -3.613
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -12.694 0.008 -1.723
2 H2 LYS 1 H2 LYS 1 -13.015 1.438 -0.966
3 H3 LYS 1 H3 LYS 1 -12.027 0.370 -0.259
4 HA LYS 1 HA LYS 1 -11.500 1.833 -2.761
5 HB2 LYS 1 HB2 LYS 1 -11.256 3.294 -0.876
6 HB3 LYS 1 HB3 LYS 1 -10.221 2.146 -0.021
7 HG2 LYS 1 HG2 LYS 1 -8.440 2.403 -1.611
8 HG3 LYS 1 HG3 LYS 1 -9.472 3.305 -2.733
9 HD2 LYS 1 HD2 LYS 1 -9.526 5.232 -1.323
10 HD3 LYS 1 HD3 LYS 1 -8.903 4.340 0.068
11 HE2 LYS 1 HE2 LYS 1 -7.183 5.828 -0.909
12 HE3 LYS 1 HE3 LYS 1 -6.716 4.130 -0.917
13 HZ1 LYS 1 HZ1 LYS 1 -7.275 3.973 -3.232
14 HZ2 LYS 1 HZ2 LYS 1 -7.658 5.607 -3.309
15 HZ3 LYS 1 HZ3 LYS 1 -6.128 4.972 -3.003
16 H LEU 2 H LEU 2 -9.965 -0.566 -0.462
17 HA LEU 2 HA LEU 2 -7.737 -1.105 -2.043
18 HB2 LEU 2 HB2 LEU 2 -8.131 -1.926 0.230
19 HB3 LEU 2 HB3 LEU 2 -9.396 -2.991 -0.332
20 HG LEU 2 HG LEU 2 -7.857 -4.482 -1.362
21 HD11 LEU 2 HD11 LEU 2 -5.698 -2.372 -1.051
22 HD12 LEU 2 HD12 LEU 2 -5.387 -4.091 -1.370
23 HD13 LEU 2 HD13 LEU 2 -6.297 -3.151 -2.528
24 HD21 LEU 2 HD21 LEU 2 -8.003 -4.597 1.092
25 HD22 LEU 2 HD22 LEU 2 -6.435 -5.143 0.480
26 HD23 LEU 2 HD23 LEU 2 -6.583 -3.535 1.224
27 HA PRO 3 HA PRO 3 -9.809 -2.965 -5.612
28 HB2 PRO 3 HB2 PRO 3 -7.563 -3.378 -7.215
29 HB3 PRO 3 HB3 PRO 3 -8.477 -1.852 -7.068
30 HG2 PRO 3 HG2 PRO 3 -5.943 -2.643 -5.614
31 HG3 PRO 3 HG3 PRO 3 -6.329 -1.091 -6.415
32 HD2 PRO 3 HD2 PRO 3 -6.551 -1.413 -3.751
33 HD3 PRO 3 HD3 PRO 3 -7.749 -0.453 -4.654
34 HA PRO 4 HA PRO 4 -9.614 -7.185 -4.758
35 HB2 PRO 4 HB2 PRO 4 -10.242 -8.472 -7.115
36 HB3 PRO 4 HB3 PRO 4 -11.396 -7.488 -6.165
37 HG2 PRO 4 HG2 PRO 4 -9.751 -6.627 -8.563
38 HG3 PRO 4 HG3 PRO 4 -11.505 -6.381 -8.277
39 HD2 PRO 4 HD2 PRO 4 -9.706 -4.428 -7.749
40 HD3 PRO 4 HD3 PRO 4 -11.094 -4.704 -6.654
41 H GLY 5 H GLY 5 -8.114 -8.684 -4.349
42 HA2 GLY 5 HA2 GLY 5 -6.390 -10.190 -4.682
43 HA3 GLY 5 HA3 GLY 5 -6.182 -9.605 -6.333
44 H TRP 6 H TRP 6 -6.081 -6.844 -4.326
45 HA TRP 6 HA TRP 6 -3.142 -6.809 -4.339
46 HB2 TRP 6 HB2 TRP 6 -5.261 -4.705 -3.879
47 HB3 TRP 6 HB3 TRP 6 -3.538 -4.429 -3.766
48 HD1 TRP 6 HD1 TRP 6 -6.190 -5.427 -6.345
49 HE1 TRP 6 HE1 TRP 6 -5.462 -4.683 -8.690
50 HE3 TRP 6 HE3 TRP 6 -1.489 -3.770 -5.224
51 HZ2 TRP 6 HZ2 TRP 6 -3.082 -3.647 -9.941
52 HZ3 TRP 6 HZ3 TRP 6 0.024 -3.010 -7.025
53 HH2 TRP 6 HH2 TRP 6 -0.751 -2.958 -9.390
54 H GLU 7 H GLU 7 -1.941 -7.065 -2.591
55 HA GLU 7 HA GLU 7 -3.225 -7.388 0.069
56 HB2 GLU 7 HB2 GLU 7 -2.444 -9.333 -1.585
57 HB3 GLU 7 HB3 GLU 7 -0.839 -8.913 -1.022
58 HG2 GLU 7 HG2 GLU 7 -3.216 -9.821 0.664
59 HG3 GLU 7 HG3 GLU 7 -1.830 -10.814 0.193
60 H LYS 8 H LYS 8 -1.920 -6.697 1.915
61 HA LYS 8 HA LYS 8 -0.348 -4.341 1.166
62 HB2 LYS 8 HB2 LYS 8 -0.483 -3.529 3.251
63 HB3 LYS 8 HB3 LYS 8 -1.988 -4.415 3.138
64 HG2 LYS 8 HG2 LYS 8 0.502 -5.498 4.549
65 HG3 LYS 8 HG3 LYS 8 -0.673 -4.473 5.327
66 HD2 LYS 8 HD2 LYS 8 -2.112 -6.110 5.702
67 HD3 LYS 8 HD3 LYS 8 -2.067 -6.697 4.053
68 HE2 LYS 8 HE2 LYS 8 0.106 -7.293 6.117
69 HE3 LYS 8 HE3 LYS 8 -1.315 -8.323 5.865
70 HZ1 LYS 8 HZ1 LYS 8 -0.665 -8.605 3.559
71 HZ2 LYS 8 HZ2 LYS 8 0.642 -7.695 3.710
72 HZ3 LYS 8 HZ3 LYS 8 0.546 -9.134 4.533
73 H ARG 9 H ARG 9 1.854 -3.863 1.369
74 HA ARG 9 HA ARG 9 3.670 -5.963 2.305
75 HB2 ARG 9 HB2 ARG 9 2.711 -5.770 -0.242
76 HB3 ARG 9 HB3 ARG 9 3.858 -4.454 -0.319
77 HG2 ARG 9 HG2 ARG 9 4.649 -6.559 -1.181
78 HG3 ARG 9 HG3 ARG 9 5.682 -5.979 0.139
79 HD2 ARG 9 HD2 ARG 9 5.312 -8.421 0.140
80 HD3 ARG 9 HD3 ARG 9 4.848 -7.649 1.646
81 HE ARG 9 HE ARG 9 2.526 -8.025 1.185
82 HH11 ARG 9 HH21 ARG 9 4.449 -9.228 -1.473
83 HH12 ARG 9 HH22 ARG 9 3.200 -10.290 -2.052
84 HH21 ARG 9 HH11 ARG 9 1.004 -9.595 0.578
85 HH22 ARG 9 HH12 ARG 9 1.298 -10.493 -0.884
86 H MET 10 H MET 10 6.030 -5.056 2.049
87 HA MET 10 HA MET 10 6.303 -2.164 2.268
88 HB2 MET 10 HB2 MET 10 5.651 -2.970 4.593
89 HB3 MET 10 HB3 MET 10 7.099 -3.981 4.583
90 HG2 MET 10 HG2 MET 10 8.436 -1.825 4.199
91 HG3 MET 10 HG3 MET 10 6.928 -0.950 4.454
92 HE1 MET 10 HE1 MET 10 8.727 -4.064 6.250
93 HE2 MET 10 HE2 MET 10 9.931 -2.793 5.939
94 HE3 MET 10 HE3 MET 10 9.451 -3.175 7.608
95 H PHE 11 H PHE 11 8.249 -1.566 1.417
96 HA PHE 11 HA PHE 11 10.110 -3.554 0.432
97 HB2 PHE 11 HB2 PHE 11 10.133 -0.549 0.550
98 HB3 PHE 11 HB3 PHE 11 11.470 -1.474 -0.107
99 HD1 PHE 11 HD1 PHE 11 10.889 -3.303 -1.910
100 HD2 PHE 11 HD2 PHE 11 8.380 0.093 -0.982
101 HE1 PHE 11 HE1 PHE 11 9.813 -3.488 -4.131
102 HE2 PHE 11 HE2 PHE 11 7.327 -0.111 -3.227
103 HZ PHE 11 HZ PHE 11 8.033 -1.874 -4.790
104 H ALA 12 H ALA 12 12.430 -3.681 0.980
105 HA ALA 12 HA ALA 12 12.928 -4.047 3.717
106 HB1 ALA 12 HB1 ALA 12 14.081 -5.225 1.885
107 HB2 ALA 12 HB2 ALA 12 14.887 -3.712 1.404
108 HB3 ALA 12 HB3 ALA 12 15.242 -4.453 2.978
109 H ASN 13 H ASN 13 13.094 -1.069 1.962
110 HA ASN 13 HA ASN 13 14.762 0.302 3.974
111 HB2 ASN 13 HB2 ASN 13 14.392 2.275 2.511
112 HB3 ASN 13 HB3 ASN 13 15.069 0.900 1.645
113 HD21 ASN 13 HD21 ASN 13 14.311 1.760 -0.412
114 H GLY 14 H GLY 14 11.602 -0.793 4.036
115 HA2 GLY 14 HA2 GLY 14 10.136 -0.345 5.793
116 HA3 GLY 14 HA3 GLY 14 10.781 1.283 5.977
117 H THR 15 H THR 15 9.995 0.434 2.616
118 HA THR 15 HA THR 15 7.924 2.558 2.824
119 HB THR 15 HB THR 15 9.236 1.377 0.385
120 HG1 THR 15 HG1 THR 15 10.755 2.338 1.496
121 HG21 THR 15 HG21 THR 15 8.469 3.351 -0.776
122 HG22 THR 15 HG22 THR 15 7.053 2.549 -0.073
123 HG23 THR 15 HG23 THR 15 7.725 3.995 0.709
124 H VAL 16 H VAL 16 6.068 1.630 3.528
125 HA VAL 16 HA VAL 16 4.788 -0.703 2.741
126 HB VAL 16 HB VAL 16 3.735 1.955 3.667
127 HG11 VAL 16 HG11 VAL 16 2.058 -0.529 3.061
128 HG12 VAL 16 HG12 VAL 16 1.521 0.864 4.022
129 HG13 VAL 16 HG13 VAL 16 1.882 1.077 2.310
130 HG21 VAL 16 HG21 VAL 16 3.794 -0.866 4.849
131 HG22 VAL 16 HG22 VAL 16 4.940 0.436 5.255
132 HG23 VAL 16 HG23 VAL 16 3.229 0.600 5.679
133 H TYR 17 H TYR 17 3.592 -1.486 1.090
134 HA TYR 17 HA TYR 17 2.365 0.329 -0.844
135 HB2 TYR 17 HB2 TYR 17 3.315 -0.744 -2.828
136 HB3 TYR 17 HB3 TYR 17 4.556 0.010 -1.880
137 HD1 TYR 17 HD1 TYR 17 6.049 -1.328 -0.473
138 HD2 TYR 17 HD2 TYR 17 3.413 -3.208 -3.285
139 HE1 TYR 17 HE1 TYR 17 7.567 -3.283 -0.564
140 HE2 TYR 17 HE2 TYR 17 4.920 -5.203 -3.353
141 HH TYR 17 HH TYR 17 7.067 -5.952 -2.859
142 H TYR 18 H TYR 18 0.986 -1.060 -2.420
143 HA TYR 18 HA TYR 18 0.166 -3.656 -1.224
144 HB2 TYR 18 HB2 TYR 18 -1.362 -1.592 -2.827
145 HB3 TYR 18 HB3 TYR 18 -1.926 -3.254 -2.620
146 HD1 TYR 18 HD2 TYR 18 -0.667 -0.343 -0.619
147 HD2 TYR 18 HD1 TYR 18 -3.188 -3.847 -0.675
148 HE1 TYR 18 HE2 TYR 18 -1.054 -0.064 1.718
149 HE2 TYR 18 HE1 TYR 18 -3.884 -3.394 1.623
150 HH TYR 18 HH TYR 18 -3.422 -2.147 3.539
151 H PHE 19 H PHE 19 0.097 -5.445 -2.311
152 HA PHE 19 HA PHE 19 1.475 -5.589 -4.944
153 HB2 PHE 19 HB2 PHE 19 2.828 -6.207 -2.996
154 HB3 PHE 19 HB3 PHE 19 1.594 -7.313 -2.438
155 HD1 PHE 19 HD1 PHE 19 4.249 -6.737 -4.930
156 HD2 PHE 19 HD2 PHE 19 1.207 -9.502 -3.599
157 HE1 PHE 19 HE1 PHE 19 5.383 -8.550 -6.132
158 HE2 PHE 19 HE2 PHE 19 2.367 -11.340 -4.809
159 HZ PHE 19 HZ PHE 19 4.460 -10.880 -6.053
160 H ASN 20 H ASN 20 0.130 -6.286 -6.492
161 HA ASN 20 HA ASN 20 -2.309 -7.733 -5.993
162 HB2 ASN 20 HB2 ASN 20 -1.913 -6.162 -7.910
163 HB3 ASN 20 HB3 ASN 20 -0.773 -7.311 -8.568
164 HD21 ASN 20 HD22 ASN 20 -4.241 -6.799 -7.743
165 HD22 ASN 20 HD21 ASN 20 -4.785 -8.168 -8.687
166 H HIS 21 H HIS 21 -2.097 -9.768 -5.070
167 HA HIS 21 HA HIS 21 0.181 -11.448 -5.715
168 HB2 HIS 21 HB2 HIS 21 -0.736 -13.003 -4.162
169 HB3 HIS 21 HB3 HIS 21 -0.883 -11.388 -3.501
170 HD2 HIS 21 HD2 HIS 21 -3.221 -13.886 -5.431
171 HE1 HIS 21 HE1 HIS 21 -5.550 -11.800 -2.530
172 HE2 HIS 21 HE2 HIS 21 -5.600 -13.610 -4.339
173 H ILE 22 H ILE 22 -2.365 -10.801 -7.735
174 HA ILE 22 HA ILE 22 -2.557 -13.560 -8.814
175 HB ILE 22 HB ILE 22 -4.032 -11.035 -9.662
176 HG12 ILE 22 HG12 ILE 22 -4.964 -13.257 -7.786
177 HG13 ILE 22 HG13 ILE 22 -4.576 -11.608 -7.300
178 HG21 ILE 22 HG21 ILE 22 -4.575 -13.975 -10.266
179 HG22 ILE 22 HG22 ILE 22 -5.584 -12.606 -10.785
180 HG23 ILE 22 HG23 ILE 22 -3.966 -12.769 -11.419
181 HD11 ILE 22 HD11 ILE 22 -6.421 -10.755 -8.758
182 HD12 ILE 22 HD12 ILE 22 -6.927 -12.447 -9.012
183 HD13 ILE 22 HD13 ILE 22 -6.933 -11.759 -7.386
184 H THR 23 H THR 23 -0.884 -10.561 -9.291
185 HA THR 23 HA THR 23 0.193 -11.476 -11.948
186 HB THR 23 HB THR 23 0.201 -9.101 -12.629
187 HG1 THR 23 HG1 THR 23 -1.411 -8.681 -10.344
188 HG21 THR 23 HG21 THR 23 -1.756 -10.489 -13.259
189 HG22 THR 23 HG22 THR 23 -2.593 -9.983 -11.777
190 HG23 THR 23 HG23 THR 23 -2.177 -8.782 -13.018
191 H ASN 24 H ASN 24 0.978 -10.110 -8.827
192 HA ASN 24 HA ASN 24 2.838 -9.662 -7.784
193 HB2 ASN 24 HB2 ASN 24 4.531 -9.895 -10.292
194 HB3 ASN 24 HB3 ASN 24 5.074 -9.855 -8.628
195 HD21 ASN 24 HD22 ASN 24 3.530 -11.822 -11.081
196 HD22 ASN 24 HD21 ASN 24 3.821 -13.364 -10.243
197 H ALA 25 H ALA 25 1.223 -7.737 -9.902
198 HA ALA 25 HA ALA 25 3.022 -5.544 -10.251
199 HB1 ALA 25 HB1 ALA 25 0.971 -4.281 -10.742
200 HB2 ALA 25 HB2 ALA 25 0.926 -5.869 -11.530
201 HB3 ALA 25 HB3 ALA 25 -0.022 -5.582 -10.055
202 H SER 26 H SER 26 3.590 -3.812 -8.909
203 HA SER 26 HA SER 26 2.481 -3.799 -6.139
204 HB2 SER 26 HB2 SER 26 4.729 -3.219 -5.401
205 HB3 SER 26 HB3 SER 26 4.744 -4.752 -6.266
206 HG SER 26 HG SER 26 5.183 -2.281 -7.584
207 H GLN 27 H GLN 27 1.551 -1.903 -5.504
208 HA GLN 27 HA GLN 27 2.467 0.647 -6.758
209 HB2 GLN 27 HB2 GLN 27 -0.414 -0.304 -6.451
210 HB3 GLN 27 HB3 GLN 27 0.061 1.361 -6.800
211 HG2 GLN 27 HG2 GLN 27 1.213 0.566 -8.884
212 HG3 GLN 27 HG3 GLN 27 0.541 -1.044 -8.596
213 HE21 GLN 27 HE22 GLN 27 -2.037 -1.091 -8.342
214 HE22 GLN 27 HE21 GLN 27 -2.829 0.119 -9.351
215 H PHE 28 H PHE 28 2.336 2.457 -5.486
216 HA PHE 28 HA PHE 28 2.123 2.140 -2.623
217 HB2 PHE 28 HB2 PHE 28 2.469 4.632 -4.329
218 HB3 PHE 28 HB3 PHE 28 2.756 4.499 -2.590
219 HD1 PHE 28 HD2 PHE 28 4.391 2.557 -1.835
220 HD2 PHE 28 HD1 PHE 28 4.348 4.337 -5.766
221 HE1 PHE 28 HE2 PHE 28 6.692 1.773 -2.213
222 HE2 PHE 28 HE1 PHE 28 6.660 3.518 -6.153
223 HZ PHE 28 HZ PHE 28 7.835 2.222 -4.383
224 H GLU 29 H GLU 29 -0.348 2.118 -4.687
225 HA GLU 29 HA GLU 29 -2.298 3.945 -3.670
226 HB2 GLU 29 HB2 GLU 29 -2.865 2.881 -5.664
227 HB3 GLU 29 HB3 GLU 29 -2.313 1.306 -5.118
228 HG2 GLU 29 HG2 GLU 29 -4.730 1.383 -5.413
229 HG3 GLU 29 HG3 GLU 29 -4.274 0.944 -3.782
230 H ARG 30 H ARG 30 -2.751 4.154 -1.589
231 HA ARG 30 HA ARG 30 -2.614 1.783 0.186
232 HB2 ARG 30 HB2 ARG 30 -0.983 3.548 0.646
233 HB3 ARG 30 HB3 ARG 30 -2.294 4.694 0.934
234 HG2 ARG 30 HG2 ARG 30 -2.837 2.340 2.544
235 HG3 ARG 30 HG3 ARG 30 -1.126 2.688 2.703
236 HD2 ARG 30 HD2 ARG 30 -2.332 3.781 4.469
237 HD3 ARG 30 HD3 ARG 30 -1.650 5.003 3.407
238 HE ARG 30 HE ARG 30 -4.538 4.112 3.420
239 HH11 ARG 30 HH11 ARG 30 -2.271 6.614 2.538
240 HH12 ARG 30 HH12 ARG 30 -3.488 7.856 2.431
241 HH21 ARG 30 HH21 ARG 30 -6.068 5.819 3.518
242 HH22 ARG 30 HH22 ARG 30 -5.600 7.373 2.889
243 HA PRO 31 HA PRO 31 -7.094 2.519 0.283
244 HB2 PRO 31 HB2 PRO 31 -7.869 0.200 1.455
245 HB3 PRO 31 HB3 PRO 31 -7.215 0.266 -0.209
246 HG2 PRO 31 HG2 PRO 31 -5.672 -0.385 2.337
247 HG3 PRO 31 HG3 PRO 31 -5.761 -1.343 0.842
248 HD2 PRO 31 HD2 PRO 31 -3.781 0.451 1.347
249 HD3 PRO 31 HD3 PRO 31 -4.384 0.183 -0.322
250 H SER 32 H SER 32 -8.785 2.248 2.057
251 HA SER 32 HA SER 32 -7.993 2.267 4.834
252 HB2 SER 32 HB2 SER 32 -9.188 4.823 3.666
253 HB3 SER 32 HB3 SER 32 -8.957 4.480 5.399
254 HG SER 32 HG SER 32 -6.726 3.923 3.994
255 H GLY 33 H GLY 33 -9.495 0.632 3.029
256 HA2 GLY 33 HA2 GLY 33 -11.546 -0.583 3.805
257 HA3 GLY 33 HA3 GLY 33 -12.358 0.992 3.680
258 H1 NAG 101 H1 NAG 34 11.478 0.986 -0.788
259 H2 NAG 101 H2 NAG 34 12.839 3.177 -2.424
260 H3 NAG 101 H3 NAG 34 10.060 1.939 -2.209
261 H4 NAG 101 H4 NAG 34 12.123 2.092 -4.462
262 H5 NAG 101 H5 NAG 34 11.142 -0.297 -2.857
263 H61 NAG 101 H61 NAG 34 12.978 -1.573 -3.828
264 H62 NAG 101 H62 NAG 34 11.951 -0.930 -5.115
265 H81 NAG 101 H2M NAG 34 10.831 5.958 0.349
266 H82 NAG 101 H3M NAG 34 12.452 6.634 0.616
267 H83 NAG 101 H1M NAG 34 11.894 5.260 1.595
268 HN2 NAG 101 H2N NAG 34 10.726 3.676 -0.365
269 HO3 NAG 101 H3O NAG 34 9.785 3.342 -4.161
270 HO4 NAG 101 H4O NAG 34 10.573 0.806 -5.550
271 HO6 NAG 101 H6O NAG 34 14.362 0.261 -4.135
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -7.399 3.236 -3.145
2 H2 LYS 1 H2 LYS 1 -7.290 2.468 -1.698
3 H3 LYS 1 H3 LYS 1 -8.578 3.419 -2.007
4 HA LYS 1 HA LYS 1 -9.207 1.159 -2.116
5 HB2 LYS 1 HB2 LYS 1 -10.316 1.110 -4.266
6 HB3 LYS 1 HB3 LYS 1 -10.546 2.617 -3.446
7 HG2 LYS 1 HG2 LYS 1 -8.691 2.118 -5.823
8 HG3 LYS 1 HG3 LYS 1 -10.290 2.834 -5.890
9 HD2 LYS 1 HD2 LYS 1 -7.783 4.070 -4.739
10 HD3 LYS 1 HD3 LYS 1 -8.668 4.580 -6.156
11 HE2 LYS 1 HE2 LYS 1 -10.429 5.552 -4.933
12 HE3 LYS 1 HE3 LYS 1 -10.137 4.538 -3.530
13 HZ1 LYS 1 HZ1 LYS 1 -8.723 6.985 -4.234
14 HZ2 LYS 1 HZ2 LYS 1 -9.283 6.422 -2.758
15 HZ3 LYS 1 HZ3 LYS 1 -7.916 5.810 -3.392
16 H LEU 2 H LEU 2 -9.024 -0.942 -2.809
17 HA LEU 2 HA LEU 2 -7.458 -1.655 -5.040
18 HB2 LEU 2 HB2 LEU 2 -5.955 -3.251 -3.824
19 HB3 LEU 2 HB3 LEU 2 -5.559 -1.562 -3.805
20 HG LEU 2 HG LEU 2 -6.462 -1.450 -1.373
21 HD11 LEU 2 HD11 LEU 2 -7.695 -3.501 -1.068
22 HD12 LEU 2 HD12 LEU 2 -6.399 -4.473 -1.793
23 HD13 LEU 2 HD13 LEU 2 -6.156 -3.726 -0.214
24 HD21 LEU 2 HD21 LEU 2 -4.435 -2.240 -0.522
25 HD22 LEU 2 HD22 LEU 2 -4.102 -3.216 -1.976
26 HD23 LEU 2 HD23 LEU 2 -4.107 -1.434 -2.051
27 HA PRO 3 HA PRO 3 -10.594 -4.861 -4.536
28 HB2 PRO 3 HB2 PRO 3 -10.127 -6.335 -6.800
29 HB3 PRO 3 HB3 PRO 3 -10.782 -4.672 -6.853
30 HG2 PRO 3 HG2 PRO 3 -7.920 -5.582 -7.225
31 HG3 PRO 3 HG3 PRO 3 -8.869 -4.470 -8.258
32 HD2 PRO 3 HD2 PRO 3 -7.152 -3.552 -6.317
33 HD3 PRO 3 HD3 PRO 3 -8.663 -2.704 -6.741
34 HA PRO 4 HA PRO 4 -8.658 -8.595 -2.867
35 HB2 PRO 4 HB2 PRO 4 -10.089 -10.690 -3.988
36 HB3 PRO 4 HB3 PRO 4 -10.651 -9.679 -2.621
37 HG2 PRO 4 HG2 PRO 4 -11.299 -9.363 -5.565
38 HG3 PRO 4 HG3 PRO 4 -12.428 -9.333 -4.171
39 HD2 PRO 4 HD2 PRO 4 -11.551 -7.044 -5.273
40 HD3 PRO 4 HD3 PRO 4 -11.674 -7.181 -3.500
41 H GLY 5 H GLY 5 -6.955 -9.911 -3.367
42 HA2 GLY 5 HA2 GLY 5 -5.577 -11.177 -4.956
43 HA3 GLY 5 HA3 GLY 5 -6.025 -10.012 -6.210
44 H TRP 6 H TRP 6 -5.800 -7.791 -4.040
45 HA TRP 6 HA TRP 6 -2.885 -7.381 -4.072
46 HB2 TRP 6 HB2 TRP 6 -5.257 -5.648 -3.343
47 HB3 TRP 6 HB3 TRP 6 -3.577 -5.154 -3.228
48 HD1 TRP 6 HD1 TRP 6 -6.206 -6.075 -5.856
49 HE1 TRP 6 HE1 TRP 6 -5.635 -4.891 -8.083
50 HE3 TRP 6 HE3 TRP 6 -1.627 -4.206 -4.617
51 HZ2 TRP 6 HZ2 TRP 6 -3.450 -3.386 -9.182
52 HZ3 TRP 6 HZ3 TRP 6 -0.294 -2.983 -6.289
53 HH2 TRP 6 HH2 TRP 6 -1.187 -2.531 -8.561
54 H GLU 7 H GLU 7 -1.667 -7.173 -2.173
55 HA GLU 7 HA GLU 7 -3.086 -7.218 0.422
56 HB2 GLU 7 HB2 GLU 7 -2.574 -9.541 -0.053
57 HB3 GLU 7 HB3 GLU 7 -0.910 -9.149 -0.452
58 HG2 GLU 7 HG2 GLU 7 -1.076 -10.266 1.695
59 HG3 GLU 7 HG3 GLU 7 -0.384 -8.667 1.856
60 H LYS 8 H LYS 8 -1.851 -6.419 2.151
61 HA LYS 8 HA LYS 8 -0.159 -4.131 1.604
62 HB2 LYS 8 HB2 LYS 8 -0.098 -3.878 4.012
63 HB3 LYS 8 HB3 LYS 8 -1.727 -4.337 3.514
64 HG2 LYS 8 HG2 LYS 8 -0.883 -6.794 4.037
65 HG3 LYS 8 HG3 LYS 8 0.359 -5.986 4.965
66 HD2 LYS 8 HD2 LYS 8 -1.147 -5.188 6.559
67 HD3 LYS 8 HD3 LYS 8 -2.537 -5.221 5.464
68 HE2 LYS 8 HE2 LYS 8 -1.120 -7.771 6.288
69 HE3 LYS 8 HE3 LYS 8 -2.382 -7.065 7.310
70 HZ1 LYS 8 HZ1 LYS 8 -3.014 -7.436 4.462
71 HZ2 LYS 8 HZ2 LYS 8 -2.866 -8.762 5.225
72 HZ3 LYS 8 HZ3 LYS 8 -3.998 -7.654 5.780
73 H ARG 9 H ARG 9 2.039 -3.879 1.565
74 HA ARG 9 HA ARG 9 3.804 -6.171 2.190
75 HB2 ARG 9 HB2 ARG 9 2.852 -6.155 -0.134
76 HB3 ARG 9 HB3 ARG 9 3.455 -4.522 -0.361
77 HG2 ARG 9 HG2 ARG 9 4.739 -6.107 -1.502
78 HG3 ARG 9 HG3 ARG 9 5.761 -5.342 -0.298
79 HD2 ARG 9 HD2 ARG 9 5.926 -7.252 1.034
80 HD3 ARG 9 HD3 ARG 9 4.497 -8.000 0.300
81 HE ARG 9 HE ARG 9 5.738 -8.766 -1.462
82 HH11 ARG 9 HH12 ARG 9 8.031 -6.571 0.297
83 HH12 ARG 9 HH11 ARG 9 9.319 -7.197 -0.653
84 HH21 ARG 9 HH21 ARG 9 7.507 -9.359 -2.594
85 HH22 ARG 9 HH22 ARG 9 9.063 -8.694 -2.212
86 H MET 10 H MET 10 6.139 -5.404 1.785
87 HA MET 10 HA MET 10 6.712 -2.603 2.343
88 HB2 MET 10 HB2 MET 10 6.210 -3.668 4.565
89 HB3 MET 10 HB3 MET 10 7.491 -4.846 4.254
90 HG2 MET 10 HG2 MET 10 9.118 -2.939 4.093
91 HG3 MET 10 HG3 MET 10 7.824 -1.829 4.545
92 HE1 MET 10 HE1 MET 10 7.221 -2.628 8.292
93 HE2 MET 10 HE2 MET 10 7.104 -1.384 7.032
94 HE3 MET 10 HE3 MET 10 6.235 -2.930 6.844
95 H PHE 11 H PHE 11 8.695 -2.061 1.606
96 HA PHE 11 HA PHE 11 10.281 -3.925 -0.006
97 HB2 PHE 11 HB2 PHE 11 10.378 -0.971 0.591
98 HB3 PHE 11 HB3 PHE 11 11.629 -1.772 -0.339
99 HD1 PHE 11 HD1 PHE 11 10.828 -3.265 -2.372
100 HD2 PHE 11 HD2 PHE 11 8.533 -0.029 -0.645
101 HE1 PHE 11 HE1 PHE 11 9.629 -2.954 -4.516
102 HE2 PHE 11 HE2 PHE 11 7.377 0.278 -2.809
103 HZ PHE 11 HZ PHE 11 7.925 -1.154 -4.739
104 H ALA 12 H ALA 12 12.671 -4.075 0.245
105 HA ALA 12 HA ALA 12 13.508 -4.832 2.822
106 HB1 ALA 12 HB1 ALA 12 14.379 -5.736 0.696
107 HB2 ALA 12 HB2 ALA 12 15.142 -4.167 0.334
108 HB3 ALA 12 HB3 ALA 12 15.690 -5.129 1.723
109 H ASN 13 H ASN 13 13.207 -1.632 1.764
110 HA ASN 13 HA ASN 13 15.258 -0.595 3.652
111 HB2 ASN 13 HB2 ASN 13 14.868 1.562 2.507
112 HB3 ASN 13 HB3 ASN 13 15.376 0.300 1.387
113 HD21 ASN 13 HD21 ASN 13 14.447 1.692 -0.341
114 H GLY 14 H GLY 14 12.092 -1.638 3.864
115 HA2 GLY 14 HA2 GLY 14 10.746 -1.369 5.741
116 HA3 GLY 14 HA3 GLY 14 11.505 0.172 6.125
117 H THR 15 H THR 15 10.445 -0.112 2.768
118 HA THR 15 HA THR 15 8.529 2.073 3.359
119 HB THR 15 HB THR 15 9.640 1.058 0.733
120 HG1 THR 15 HG1 THR 15 11.239 1.821 1.844
121 HG21 THR 15 HG21 THR 15 8.921 3.122 -0.257
122 HG22 THR 15 HG22 THR 15 7.501 2.371 0.479
123 HG23 THR 15 HG23 THR 15 8.304 3.726 1.303
124 H VAL 16 H VAL 16 6.349 1.754 3.374
125 HA VAL 16 HA VAL 16 5.374 -0.945 2.741
126 HB VAL 16 HB VAL 16 4.344 1.369 4.388
127 HG11 VAL 16 HG11 VAL 16 2.754 -1.144 3.696
128 HG12 VAL 16 HG12 VAL 16 2.359 0.002 4.992
129 HG13 VAL 16 HG13 VAL 16 2.299 0.534 3.314
130 HG21 VAL 16 HG21 VAL 16 4.430 -0.335 6.166
131 HG22 VAL 16 HG22 VAL 16 4.875 -1.577 4.974
132 HG23 VAL 16 HG23 VAL 16 5.996 -0.239 5.343
133 H TYR 17 H TYR 17 3.811 -1.478 1.377
134 HA TYR 17 HA TYR 17 2.355 0.448 -0.261
135 HB2 TYR 17 HB2 TYR 17 3.284 -0.281 -2.374
136 HB3 TYR 17 HB3 TYR 17 4.572 0.308 -1.363
137 HD1 TYR 17 HD1 TYR 17 6.040 -1.313 -0.136
138 HD2 TYR 17 HD2 TYR 17 3.401 -2.536 -3.294
139 HE1 TYR 17 HE1 TYR 17 7.566 -3.200 -0.680
140 HE2 TYR 17 HE2 TYR 17 4.892 -4.438 -3.827
141 HH TYR 17 HH TYR 17 7.029 -5.278 -3.525
142 H TYR 18 H TYR 18 1.236 -1.087 -2.109
143 HA TYR 18 HA TYR 18 0.405 -3.655 -0.854
144 HB2 TYR 18 HB2 TYR 18 -1.264 -1.706 -2.477
145 HB3 TYR 18 HB3 TYR 18 -1.782 -3.300 -1.910
146 HD1 TYR 18 HD1 TYR 18 -0.580 0.050 -0.786
147 HD2 TYR 18 HD2 TYR 18 -2.611 -3.589 0.337
148 HE1 TYR 18 HE1 TYR 18 -0.871 0.936 1.463
149 HE2 TYR 18 HE2 TYR 18 -3.107 -2.628 2.535
150 HH TYR 18 HH TYR 18 -2.595 -0.905 4.039
151 H PHE 19 H PHE 19 0.349 -5.427 -2.078
152 HA PHE 19 HA PHE 19 1.531 -5.253 -4.814
153 HB2 PHE 19 HB2 PHE 19 3.139 -5.808 -3.083
154 HB3 PHE 19 HB3 PHE 19 2.114 -7.076 -2.451
155 HD1 PHE 19 HD1 PHE 19 4.117 -6.009 -5.402
156 HD2 PHE 19 HD2 PHE 19 2.138 -9.313 -3.441
157 HE1 PHE 19 HE1 PHE 19 5.331 -7.578 -6.839
158 HE2 PHE 19 HE2 PHE 19 3.364 -10.898 -4.900
159 HZ PHE 19 HZ PHE 19 4.982 -10.052 -6.583
160 H ASN 20 H ASN 20 0.443 -6.282 -6.352
161 HA ASN 20 HA ASN 20 -1.882 -7.943 -5.691
162 HB2 ASN 20 HB2 ASN 20 -1.920 -6.200 -7.499
163 HB3 ASN 20 HB3 ASN 20 -0.751 -7.171 -8.381
164 HD21 ASN 20 HD22 ASN 20 -4.142 -6.926 -7.367
165 HD22 ASN 20 HD21 ASN 20 -4.636 -8.359 -8.262
166 H HIS 21 H HIS 21 -1.169 -9.851 -4.812
167 HA HIS 21 HA HIS 21 1.111 -11.273 -5.914
168 HB2 HIS 21 HB2 HIS 21 0.521 -12.950 -4.197
169 HB3 HIS 21 HB3 HIS 21 0.681 -11.327 -3.564
170 HD2 HIS 21 HD2 HIS 21 -2.117 -13.880 -4.411
171 HE1 HIS 21 HE1 HIS 21 -3.744 -10.950 -1.760
172 HE2 HIS 21 HE2 HIS 21 -4.208 -13.162 -2.966
173 H ILE 22 H ILE 22 -1.768 -10.871 -7.431
174 HA ILE 22 HA ILE 22 -1.827 -13.625 -8.556
175 HB ILE 22 HB ILE 22 -3.624 -11.285 -9.262
176 HG12 ILE 22 HG12 ILE 22 -3.963 -11.581 -6.891
177 HG13 ILE 22 HG13 ILE 22 -5.355 -12.139 -7.788
178 HG21 ILE 22 HG21 ILE 22 -3.707 -13.036 -10.907
179 HG22 ILE 22 HG22 ILE 22 -3.899 -14.284 -9.662
180 HG23 ILE 22 HG23 ILE 22 -5.193 -13.103 -9.964
181 HD11 ILE 22 HD11 ILE 22 -4.821 -13.606 -5.882
182 HD12 ILE 22 HD12 ILE 22 -4.706 -14.490 -7.414
183 HD13 ILE 22 HD13 ILE 22 -3.228 -13.963 -6.575
184 H THR 23 H THR 23 -0.601 -10.408 -9.171
185 HA THR 23 HA THR 23 0.133 -11.150 -11.991
186 HB THR 23 HB THR 23 -0.343 -8.816 -12.628
187 HG1 THR 23 HG1 THR 23 -1.524 -8.611 -10.070
188 HG21 THR 23 HG21 THR 23 -2.165 -10.471 -12.906
189 HG22 THR 23 HG22 THR 23 -2.785 -10.059 -11.296
190 HG23 THR 23 HG23 THR 23 -2.763 -8.833 -12.578
191 H ASN 24 H ASN 24 1.332 -9.889 -9.003
192 HA ASN 24 HA ASN 24 3.254 -9.059 -8.341
193 HB2 ASN 24 HB2 ASN 24 4.195 -10.628 -10.206
194 HB3 ASN 24 HB3 ASN 24 4.493 -9.141 -11.098
195 HD21 ASN 24 HD22 ASN 24 5.664 -7.404 -9.538
196 HD22 ASN 24 HD21 ASN 24 7.124 -8.125 -8.818
197 H ALA 25 H ALA 25 0.993 -7.389 -9.981
198 HA ALA 25 HA ALA 25 2.398 -4.903 -10.445
199 HB1 ALA 25 HB1 ALA 25 0.173 -3.914 -10.468
200 HB2 ALA 25 HB2 ALA 25 0.151 -5.440 -11.370
201 HB3 ALA 25 HB3 ALA 25 -0.530 -5.365 -9.731
202 H SER 26 H SER 26 2.277 -2.923 -9.071
203 HA SER 26 HA SER 26 1.853 -3.362 -6.177
204 HB2 SER 26 HB2 SER 26 4.061 -2.439 -5.644
205 HB3 SER 26 HB3 SER 26 4.194 -3.954 -6.522
206 HG SER 26 HG SER 26 4.173 -1.467 -7.880
207 H GLN 27 H GLN 27 1.088 -1.552 -5.131
208 HA GLN 27 HA GLN 27 1.376 1.115 -6.402
209 HB2 GLN 27 HB2 GLN 27 -0.938 1.648 -6.100
210 HB3 GLN 27 HB3 GLN 27 -0.857 0.162 -7.045
211 HG2 GLN 27 HG2 GLN 27 -1.405 -1.155 -4.979
212 HG3 GLN 27 HG3 GLN 27 -1.443 0.334 -4.053
213 HE21 GLN 27 HE22 GLN 27 -3.524 0.556 -3.415
214 HE22 GLN 27 HE21 GLN 27 -4.908 0.535 -4.524
215 H PHE 28 H PHE 28 1.494 2.862 -4.860
216 HA PHE 28 HA PHE 28 1.863 2.074 -2.050
217 HB2 PHE 28 HB2 PHE 28 2.020 4.756 -3.466
218 HB3 PHE 28 HB3 PHE 28 2.334 4.503 -1.751
219 HD1 PHE 28 HD2 PHE 28 4.088 2.649 -1.123
220 HD2 PHE 28 HD1 PHE 28 3.897 4.629 -4.952
221 HE1 PHE 28 HE2 PHE 28 6.430 2.025 -1.557
222 HE2 PHE 28 HE1 PHE 28 6.267 4.032 -5.366
223 HZ PHE 28 HZ PHE 28 7.551 2.744 -3.671
224 H GLU 29 H GLU 29 -0.848 2.998 -3.961
225 HA GLU 29 HA GLU 29 -2.367 4.377 -1.968
226 HB2 GLU 29 HB2 GLU 29 -2.945 4.709 -4.227
227 HB3 GLU 29 HB3 GLU 29 -2.986 2.989 -4.575
228 HG2 GLU 29 HG2 GLU 29 -5.215 3.857 -4.610
229 HG3 GLU 29 HG3 GLU 29 -5.060 2.733 -3.274
230 H ARG 30 H ARG 30 -3.951 3.724 -0.677
231 HA ARG 30 HA ARG 30 -3.783 0.945 0.363
232 HB2 ARG 30 HB2 ARG 30 -4.183 2.104 2.650
233 HB3 ARG 30 HB3 ARG 30 -2.613 2.138 1.900
234 HG2 ARG 30 HG2 ARG 30 -2.924 4.192 2.890
235 HG3 ARG 30 HG3 ARG 30 -2.926 4.456 1.165
236 HD2 ARG 30 HD2 ARG 30 -5.491 4.159 2.794
237 HD3 ARG 30 HD3 ARG 30 -4.628 5.694 2.727
238 HE ARG 30 HE ARG 30 -4.977 5.226 0.044
239 HH11 ARG 30 HH11 ARG 30 -7.415 4.645 2.402
240 HH12 ARG 30 HH12 ARG 30 -8.600 5.662 1.698
241 HH21 ARG 30 HH21 ARG 30 -6.595 5.823 -1.191
242 HH22 ARG 30 HH22 ARG 30 -8.190 6.173 -0.515
243 HA PRO 31 HA PRO 31 -8.216 0.394 0.595
244 HB2 PRO 31 HB2 PRO 31 -7.788 -0.251 3.509
245 HB3 PRO 31 HB3 PRO 31 -8.726 -1.155 2.281
246 HG2 PRO 31 HG2 PRO 31 -6.271 -2.013 3.020
247 HG3 PRO 31 HG3 PRO 31 -6.735 -2.009 1.286
248 HD2 PRO 31 HD2 PRO 31 -5.074 0.021 2.789
249 HD3 PRO 31 HD3 PRO 31 -4.780 -0.724 1.188
250 H SER 32 H SER 32 -10.157 0.902 2.030
251 HA SER 32 HA SER 32 -11.630 2.310 2.913
252 HB2 SER 32 HB2 SER 32 -9.298 3.359 4.532
253 HB3 SER 32 HB3 SER 32 -11.014 3.680 4.840
254 HG SER 32 HG SER 32 -10.229 1.893 6.048
255 H GLY 33 H GLY 33 -11.842 3.167 0.719
256 HA2 GLY 33 HA2 GLY 33 -12.434 5.079 -0.511
257 HA3 GLY 33 HA3 GLY 33 -11.526 6.107 0.608
258 H1 NAG 101 H1 NAG 34 11.634 0.817 -0.672
259 H2 NAG 101 H2 NAG 34 12.890 3.158 -2.193
260 H3 NAG 101 H3 NAG 34 10.160 1.764 -2.163
261 H4 NAG 101 H4 NAG 34 12.311 2.125 -4.290
262 H5 NAG 101 H5 NAG 34 11.334 -0.365 -2.850
263 H61 NAG 101 H61 NAG 34 13.045 -1.622 -3.903
264 H62 NAG 101 H62 NAG 34 12.292 -0.707 -5.214
265 H81 NAG 101 H2M NAG 34 10.057 5.612 0.653
266 H82 NAG 101 H3M NAG 34 11.209 6.856 0.116
267 H83 NAG 101 H1M NAG 34 11.750 5.556 1.199
268 HN2 NAG 101 H2N NAG 34 11.343 3.256 0.274
269 HO3 NAG 101 H3O NAG 34 10.765 4.338 -2.874
270 HO4 NAG 101 H4O NAG 34 9.991 2.074 -4.759
271 HO6 NAG 101 H6O NAG 34 14.544 0.207 -3.716
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -8.211 2.783 -1.337
2 H2 LYS 1 H2 LYS 1 -7.220 2.101 -2.440
3 H3 LYS 1 H3 LYS 1 -7.107 1.666 -0.865
4 HA LYS 1 HA LYS 1 -9.332 0.641 -0.982
5 HB2 LYS 1 HB2 LYS 1 -9.029 1.467 -3.902
6 HB3 LYS 1 HB3 LYS 1 -10.301 0.405 -3.315
7 HG2 LYS 1 HG2 LYS 1 -11.470 2.065 -2.232
8 HG3 LYS 1 HG3 LYS 1 -10.082 3.077 -1.949
9 HD2 LYS 1 HD2 LYS 1 -11.517 2.716 -4.596
10 HD3 LYS 1 HD3 LYS 1 -11.592 4.126 -3.542
11 HE2 LYS 1 HE2 LYS 1 -9.114 3.153 -5.042
12 HE3 LYS 1 HE3 LYS 1 -10.146 4.502 -5.514
13 HZ1 LYS 1 HZ1 LYS 1 -8.068 5.120 -4.308
14 HZ2 LYS 1 HZ2 LYS 1 -9.436 5.649 -3.420
15 HZ3 LYS 1 HZ3 LYS 1 -8.603 4.404 -2.970
16 H LEU 2 H LEU 2 -9.614 -1.622 -2.445
17 HA LEU 2 HA LEU 2 -6.998 -2.483 -3.488
18 HB2 LEU 2 HB2 LEU 2 -8.546 -4.001 -1.361
19 HB3 LEU 2 HB3 LEU 2 -7.268 -4.699 -2.346
20 HG LEU 2 HG LEU 2 -6.901 -2.414 -0.371
21 HD11 LEU 2 HD11 LEU 2 -5.605 -4.190 0.887
22 HD12 LEU 2 HD12 LEU 2 -7.354 -4.499 0.784
23 HD13 LEU 2 HD13 LEU 2 -6.225 -5.379 -0.261
24 HD21 LEU 2 HD21 LEU 2 -4.564 -2.600 -0.717
25 HD22 LEU 2 HD22 LEU 2 -4.731 -4.048 -1.744
26 HD23 LEU 2 HD23 LEU 2 -5.226 -2.445 -2.327
27 HA PRO 3 HA PRO 3 -10.067 -4.270 -6.326
28 HB2 PRO 3 HB2 PRO 3 -7.680 -4.798 -8.027
29 HB3 PRO 3 HB3 PRO 3 -9.180 -3.928 -8.433
30 HG2 PRO 3 HG2 PRO 3 -6.796 -2.620 -8.046
31 HG3 PRO 3 HG3 PRO 3 -8.375 -1.907 -7.589
32 HD2 PRO 3 HD2 PRO 3 -6.346 -3.255 -5.806
33 HD3 PRO 3 HD3 PRO 3 -7.317 -1.784 -5.529
34 HA PRO 4 HA PRO 4 -9.545 -8.705 -5.802
35 HB2 PRO 4 HB2 PRO 4 -9.169 -8.986 -8.791
36 HB3 PRO 4 HB3 PRO 4 -10.165 -9.979 -7.680
37 HG2 PRO 4 HG2 PRO 4 -11.333 -8.056 -9.177
38 HG3 PRO 4 HG3 PRO 4 -11.776 -8.218 -7.444
39 HD2 PRO 4 HD2 PRO 4 -9.868 -6.254 -8.725
40 HD3 PRO 4 HD3 PRO 4 -11.117 -5.962 -7.475
41 H GLY 5 H GLY 5 -7.798 -9.563 -4.873
42 HA2 GLY 5 HA2 GLY 5 -5.867 -10.834 -4.834
43 HA3 GLY 5 HA3 GLY 5 -5.472 -10.317 -6.472
44 H TRP 6 H TRP 6 -6.006 -7.457 -4.682
45 HA TRP 6 HA TRP 6 -3.118 -7.000 -4.387
46 HB2 TRP 6 HB2 TRP 6 -5.563 -5.238 -4.118
47 HB3 TRP 6 HB3 TRP 6 -3.910 -4.710 -3.872
48 HD1 TRP 6 HD1 TRP 6 -6.159 -6.042 -6.680
49 HE1 TRP 6 HE1 TRP 6 -5.353 -5.105 -8.935
50 HE3 TRP 6 HE3 TRP 6 -1.829 -3.821 -5.121
51 HZ2 TRP 6 HZ2 TRP 6 -3.103 -3.633 -9.936
52 HZ3 TRP 6 HZ3 TRP 6 -0.342 -2.738 -6.761
53 HH2 TRP 6 HH2 TRP 6 -0.961 -2.615 -9.164
54 H GLU 7 H GLU 7 -2.036 -7.360 -2.507
55 HA GLU 7 HA GLU 7 -3.412 -6.722 0.015
56 HB2 GLU 7 HB2 GLU 7 -2.711 -8.900 1.037
57 HB3 GLU 7 HB3 GLU 7 -4.058 -8.889 -0.062
58 HG2 GLU 7 HG2 GLU 7 -3.023 -10.842 -0.625
59 HG3 GLU 7 HG3 GLU 7 -2.478 -9.769 -1.901
60 H LYS 8 H LYS 8 -2.019 -6.704 1.927
61 HA LYS 8 HA LYS 8 -0.126 -4.761 1.539
62 HB2 LYS 8 HB2 LYS 8 0.133 -4.643 3.816
63 HB3 LYS 8 HB3 LYS 8 -1.501 -5.213 3.593
64 HG2 LYS 8 HG2 LYS 8 0.875 -6.900 4.484
65 HG3 LYS 8 HG3 LYS 8 -0.347 -6.185 5.510
66 HD2 LYS 8 HD2 LYS 8 -1.069 -8.365 5.422
67 HD3 LYS 8 HD3 LYS 8 -2.085 -7.601 4.191
68 HE2 LYS 8 HE2 LYS 8 -0.454 -8.402 2.451
69 HE3 LYS 8 HE3 LYS 8 0.495 -9.177 3.702
70 HZ1 LYS 8 HZ1 LYS 8 -1.107 -10.520 2.362
71 HZ2 LYS 8 HZ2 LYS 8 -1.206 -10.762 4.010
72 HZ3 LYS 8 HZ3 LYS 8 -2.340 -9.855 3.208
73 H ARG 9 H ARG 9 2.031 -4.455 1.230
74 HA ARG 9 HA ARG 9 3.937 -6.645 1.706
75 HB2 ARG 9 HB2 ARG 9 2.776 -6.428 -0.668
76 HB3 ARG 9 HB3 ARG 9 3.680 -4.938 -0.790
77 HG2 ARG 9 HG2 ARG 9 5.062 -6.274 -1.828
78 HG3 ARG 9 HG3 ARG 9 5.757 -6.551 -0.239
79 HD2 ARG 9 HD2 ARG 9 4.212 -8.339 -2.079
80 HD3 ARG 9 HD3 ARG 9 5.655 -8.710 -1.139
81 HE ARG 9 HE ARG 9 3.976 -8.575 0.884
82 HH11 ARG 9 HH11 ARG 9 3.094 -10.049 -2.225
83 HH12 ARG 9 HH12 ARG 9 1.512 -10.470 -1.530
84 HH21 ARG 9 HH22 ARG 9 1.904 -9.051 1.414
85 HH22 ARG 9 HH21 ARG 9 1.017 -10.229 0.493
86 H MET 10 H MET 10 6.277 -5.663 1.391
87 HA MET 10 HA MET 10 6.434 -2.810 2.013
88 HB2 MET 10 HB2 MET 10 5.879 -4.058 4.174
89 HB3 MET 10 HB3 MET 10 7.424 -4.897 4.001
90 HG2 MET 10 HG2 MET 10 8.576 -2.667 4.040
91 HG3 MET 10 HG3 MET 10 7.012 -1.888 4.214
92 HE1 MET 10 HE1 MET 10 9.939 -3.747 5.832
93 HE2 MET 10 HE2 MET 10 9.324 -4.263 7.420
94 HE3 MET 10 HE3 MET 10 8.754 -5.071 5.944
95 H PHE 11 H PHE 11 8.375 -1.935 1.506
96 HA PHE 11 HA PHE 11 10.466 -3.588 0.238
97 HB2 PHE 11 HB2 PHE 11 10.215 -0.612 0.750
98 HB3 PHE 11 HB3 PHE 11 11.535 -1.361 -0.121
99 HD1 PHE 11 HD1 PHE 11 11.000 -2.809 -2.183
100 HD2 PHE 11 HD2 PHE 11 8.231 0.091 -0.527
101 HE1 PHE 11 HE1 PHE 11 9.820 -2.682 -4.357
102 HE2 PHE 11 HE2 PHE 11 7.106 0.213 -2.733
103 HZ PHE 11 HZ PHE 11 7.890 -1.145 -4.633
104 H ALA 12 H ALA 12 12.760 -3.436 0.916
105 HA ALA 12 HA ALA 12 13.325 -3.771 3.642
106 HB1 ALA 12 HB1 ALA 12 15.148 -2.834 1.381
107 HB2 ALA 12 HB2 ALA 12 15.672 -3.521 2.932
108 HB3 ALA 12 HB3 ALA 12 14.765 -4.526 1.787
109 H ASN 13 H ASN 13 13.030 -0.787 1.833
110 HA ASN 13 HA ASN 13 14.103 1.056 3.766
111 HB2 ASN 13 HB2 ASN 13 11.999 1.365 1.598
112 HB3 ASN 13 HB3 ASN 13 12.831 2.703 2.379
113 HD21 ASN 13 HD21 ASN 13 14.600 2.063 -0.826
114 H GLY 14 H GLY 14 11.984 -1.010 4.797
115 HA2 GLY 14 HA2 GLY 14 10.040 -1.163 5.977
116 HA3 GLY 14 HA3 GLY 14 10.504 0.387 6.697
117 H THR 15 H THR 15 9.651 -0.152 3.253
118 HA THR 15 HA THR 15 7.666 2.067 3.537
119 HB THR 15 HB THR 15 9.215 1.148 1.121
120 HG1 THR 15 HG1 THR 15 10.198 2.410 3.079
121 HG21 THR 15 HG21 THR 15 7.525 3.643 1.523
122 HG22 THR 15 HG22 THR 15 8.444 3.196 0.067
123 HG23 THR 15 HG23 THR 15 7.039 2.234 0.554
124 H VAL 16 H VAL 16 5.626 1.364 3.696
125 HA VAL 16 HA VAL 16 4.942 -1.323 2.735
126 HB VAL 16 HB VAL 16 3.598 0.673 4.580
127 HG11 VAL 16 HG11 VAL 16 1.843 -1.052 5.001
128 HG12 VAL 16 HG12 VAL 16 1.719 -0.367 3.384
129 HG13 VAL 16 HG13 VAL 16 2.434 -1.980 3.609
130 HG21 VAL 16 HG21 VAL 16 5.442 -0.752 5.478
131 HG22 VAL 16 HG22 VAL 16 3.886 -1.160 6.209
132 HG23 VAL 16 HG23 VAL 16 4.552 -2.203 4.936
133 H TYR 17 H TYR 17 3.626 -1.844 1.186
134 HA TYR 17 HA TYR 17 1.965 0.117 -0.261
135 HB2 TYR 17 HB2 TYR 17 2.997 -0.458 -2.394
136 HB3 TYR 17 HB3 TYR 17 4.222 0.173 -1.313
137 HD1 TYR 17 HD1 TYR 17 5.899 -1.235 -0.310
138 HD2 TYR 17 HD2 TYR 17 3.150 -2.827 -3.230
139 HE1 TYR 17 HE1 TYR 17 7.501 -3.048 -0.825
140 HE2 TYR 17 HE2 TYR 17 4.737 -4.669 -3.706
141 HH TYR 17 HH TYR 17 7.979 -4.801 -2.234
142 H TYR 18 H TYR 18 0.758 -1.227 -2.072
143 HA TYR 18 HA TYR 18 0.101 -3.938 -1.006
144 HB2 TYR 18 HB2 TYR 18 -1.691 -1.846 -2.255
145 HB3 TYR 18 HB3 TYR 18 -2.155 -3.535 -1.999
146 HD1 TYR 18 HD2 TYR 18 -0.842 -0.520 -0.215
147 HD2 TYR 18 HD1 TYR 18 -2.864 -4.294 0.171
148 HE1 TYR 18 HE2 TYR 18 -0.847 -0.239 2.191
149 HE2 TYR 18 HE1 TYR 18 -3.118 -3.895 2.623
150 HH TYR 18 HH TYR 18 -1.500 -1.187 4.264
151 H PHE 19 H PHE 19 0.111 -5.638 -2.217
152 HA PHE 19 HA PHE 19 1.265 -5.409 -4.950
153 HB2 PHE 19 HB2 PHE 19 2.843 -6.003 -3.212
154 HB3 PHE 19 HB3 PHE 19 1.781 -7.236 -2.582
155 HD1 PHE 19 HD1 PHE 19 1.390 -9.397 -3.884
156 HD2 PHE 19 HD2 PHE 19 4.304 -6.425 -5.059
157 HE1 PHE 19 HE1 PHE 19 2.690 -11.122 -5.094
158 HE2 PHE 19 HE2 PHE 19 5.563 -8.115 -6.271
159 HZ PHE 19 HZ PHE 19 4.787 -10.512 -6.278
160 H ASN 20 H ASN 20 0.308 -6.526 -6.534
161 HA ASN 20 HA ASN 20 -2.126 -8.040 -5.948
162 HB2 ASN 20 HB2 ASN 20 -2.016 -6.374 -7.788
163 HB3 ASN 20 HB3 ASN 20 -0.821 -7.383 -8.588
164 HD21 ASN 20 HD22 ASN 20 -4.205 -7.115 -7.606
165 HD22 ASN 20 HD21 ASN 20 -4.806 -8.505 -8.457
166 H HIS 21 H HIS 21 -1.720 -10.073 -5.132
167 HA HIS 21 HA HIS 21 0.643 -11.541 -5.888
168 HB2 HIS 21 HB2 HIS 21 -0.040 -13.159 -4.361
169 HB3 HIS 21 HB3 HIS 21 -0.565 -11.639 -3.680
170 HD2 HIS 21 HD2 HIS 21 -2.017 -14.734 -5.535
171 HE1 HIS 21 HE1 HIS 21 -5.196 -12.970 -3.305
172 HE2 HIS 21 HE2 HIS 21 -4.534 -14.951 -4.780
173 H ILE 22 H ILE 22 -2.084 -11.077 -7.783
174 HA ILE 22 HA ILE 22 -1.989 -13.768 -9.028
175 HB ILE 22 HB ILE 22 -3.798 -11.384 -9.601
176 HG12 ILE 22 HG12 ILE 22 -4.356 -13.883 -7.935
177 HG13 ILE 22 HG13 ILE 22 -4.126 -12.261 -7.288
178 HG21 ILE 22 HG21 ILE 22 -3.635 -12.904 -11.533
179 HG22 ILE 22 HG22 ILE 22 -4.001 -14.294 -10.489
180 HG23 ILE 22 HG23 ILE 22 -5.214 -13.031 -10.803
181 HD11 ILE 22 HD11 ILE 22 -6.466 -13.195 -8.962
182 HD12 ILE 22 HD12 ILE 22 -6.451 -12.653 -7.282
183 HD13 ILE 22 HD13 ILE 22 -6.136 -11.485 -8.581
184 H THR 23 H THR 23 -0.672 -10.576 -9.412
185 HA THR 23 HA THR 23 0.301 -11.220 -12.186
186 HB THR 23 HB THR 23 -0.055 -8.848 -12.758
187 HG1 THR 23 HG1 THR 23 -1.479 -8.715 -10.324
188 HG21 THR 23 HG21 THR 23 -1.885 -10.437 -13.276
189 HG22 THR 23 HG22 THR 23 -2.639 -10.080 -11.709
190 HG23 THR 23 HG23 THR 23 -2.473 -8.799 -12.928
191 H ASN 24 H ASN 24 1.272 -10.145 -9.039
192 HA ASN 24 HA ASN 24 3.148 -9.362 -8.192
193 HB2 ASN 24 HB2 ASN 24 4.182 -10.978 -9.963
194 HB3 ASN 24 HB3 ASN 24 4.616 -9.511 -10.835
195 HD21 ASN 24 HD22 ASN 24 5.711 -7.807 -9.153
196 HD22 ASN 24 HD21 ASN 24 7.087 -8.588 -8.336
197 H ALA 25 H ALA 25 1.106 -7.598 -9.988
198 HA ALA 25 HA ALA 25 2.654 -5.181 -10.363
199 HB1 ALA 25 HB1 ALA 25 0.481 -4.099 -10.546
200 HB2 ALA 25 HB2 ALA 25 0.453 -5.631 -11.438
201 HB3 ALA 25 HB3 ALA 25 -0.332 -5.515 -9.848
202 H SER 26 H SER 26 2.573 -3.214 -8.978
203 HA SER 26 HA SER 26 1.920 -3.616 -6.116
204 HB2 SER 26 HB2 SER 26 4.201 -2.902 -5.465
205 HB3 SER 26 HB3 SER 26 4.209 -4.444 -6.300
206 HG SER 26 HG SER 26 4.558 -1.970 -7.655
207 H GLN 27 H GLN 27 1.130 -1.754 -5.198
208 HA GLN 27 HA GLN 27 1.852 0.887 -6.345
209 HB2 GLN 27 HB2 GLN 27 -0.968 -0.248 -6.082
210 HB3 GLN 27 HB3 GLN 27 -0.641 1.475 -6.228
211 HG2 GLN 27 HG2 GLN 27 0.131 -0.591 -8.328
212 HG3 GLN 27 HG3 GLN 27 -1.295 0.437 -8.375
213 HE21 GLN 27 HE22 GLN 27 2.284 0.426 -8.661
214 HE22 GLN 27 HE21 GLN 27 2.298 2.041 -9.397
215 H PHE 28 H PHE 28 1.493 2.655 -5.012
216 HA PHE 28 HA PHE 28 1.738 2.046 -2.176
217 HB2 PHE 28 HB2 PHE 28 1.931 4.628 -3.764
218 HB3 PHE 28 HB3 PHE 28 2.248 4.489 -2.039
219 HD1 PHE 28 HD2 PHE 28 3.996 2.710 -1.264
220 HD2 PHE 28 HD1 PHE 28 3.740 4.265 -5.281
221 HE1 PHE 28 HE2 PHE 28 6.352 2.095 -1.651
222 HE2 PHE 28 HE1 PHE 28 6.109 3.614 -5.673
223 HZ PHE 28 HZ PHE 28 7.419 2.538 -3.854
224 H GLU 29 H GLU 29 -1.046 2.647 -4.045
225 HA GLU 29 HA GLU 29 -2.486 4.220 -2.078
226 HB2 GLU 29 HB2 GLU 29 -3.184 3.723 -4.560
227 HB3 GLU 29 HB3 GLU 29 -3.845 2.217 -3.896
228 HG2 GLU 29 HG2 GLU 29 -5.057 3.718 -2.160
229 HG3 GLU 29 HG3 GLU 29 -4.530 5.092 -3.116
230 H ARG 30 H ARG 30 -4.010 3.410 -0.491
231 HA ARG 30 HA ARG 30 -3.409 0.686 0.512
232 HB2 ARG 30 HB2 ARG 30 -3.416 3.178 2.272
233 HB3 ARG 30 HB3 ARG 30 -2.979 1.526 2.732
234 HG2 ARG 30 HG2 ARG 30 -1.121 1.697 0.932
235 HG3 ARG 30 HG3 ARG 30 -1.477 3.425 0.910
236 HD2 ARG 30 HD2 ARG 30 -0.840 3.630 3.267
237 HD3 ARG 30 HD3 ARG 30 -0.590 1.884 3.370
238 HE ARG 30 HE ARG 30 1.463 2.090 2.259
239 HH11 ARG 30 HH11 ARG 30 -0.207 5.125 1.775
240 HH12 ARG 30 HH12 ARG 30 1.146 5.829 0.935
241 HH21 ARG 30 HH21 ARG 30 3.086 2.962 1.260
242 HH22 ARG 30 HH22 ARG 30 3.066 4.643 0.724
243 HA PRO 31 HA PRO 31 -7.556 -0.017 0.950
244 HB2 PRO 31 HB2 PRO 31 -7.349 -0.401 3.944
245 HB3 PRO 31 HB3 PRO 31 -8.172 -1.450 2.747
246 HG2 PRO 31 HG2 PRO 31 -5.694 -2.104 3.647
247 HG3 PRO 31 HG3 PRO 31 -6.088 -2.243 1.907
248 HD2 PRO 31 HD2 PRO 31 -4.533 -0.083 3.302
249 HD3 PRO 31 HD3 PRO 31 -4.249 -0.862 1.713
250 H SER 32 H SER 32 -6.545 2.217 3.086
251 HA SER 32 HA SER 32 -9.000 3.237 4.219
252 HB2 SER 32 HB2 SER 32 -7.488 4.885 5.317
253 HB3 SER 32 HB3 SER 32 -6.919 3.217 5.463
254 HG SER 32 HG SER 32 -5.936 5.278 3.810
255 H GLY 33 H GLY 33 -7.892 3.945 1.065
256 HA2 GLY 33 HA2 GLY 33 -9.632 6.299 0.932
257 HA3 GLY 33 HA3 GLY 33 -7.919 6.633 0.662
258 H1 NAG 101 H1 NAG 34 11.877 1.109 -0.393
259 H2 NAG 101 H2 NAG 34 12.492 3.753 -1.817
260 H3 NAG 101 H3 NAG 34 9.919 2.104 -1.753
261 H4 NAG 101 H4 NAG 34 11.867 2.794 -4.003
262 H5 NAG 101 H5 NAG 34 11.116 0.163 -2.672
263 H61 NAG 101 H61 NAG 34 12.733 -0.964 -4.024
264 H62 NAG 101 H62 NAG 34 11.721 -0.058 -5.153
265 H81 NAG 101 H2M NAG 34 10.887 6.792 1.229
266 H82 NAG 101 H3M NAG 34 11.335 5.285 2.053
267 H83 NAG 101 H1M NAG 34 9.661 5.535 1.500
268 HN2 NAG 101 H2N NAG 34 11.054 3.236 0.724
269 HO3 NAG 101 H3O NAG 34 10.302 4.758 -2.166
270 HO4 NAG 101 H4O NAG 34 9.548 2.723 -4.318
271 HO6 NAG 101 H6O NAG 34 14.145 0.928 -4.007
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -12.973 -0.818 -4.227
2 H2 LYS 1 H2 LYS 1 -13.068 0.822 -4.123
3 H3 LYS 1 H3 LYS 1 -12.041 -0.017 -3.163
4 HA LYS 1 HA LYS 1 -11.864 0.207 -6.109
5 HB2 LYS 1 HB2 LYS 1 -11.274 2.314 -5.026
6 HB3 LYS 1 HB3 LYS 1 -10.120 1.489 -3.967
7 HG2 LYS 1 HG2 LYS 1 -8.743 0.846 -5.893
8 HG3 LYS 1 HG3 LYS 1 -9.935 1.525 -7.018
9 HD2 LYS 1 HD2 LYS 1 -9.488 3.781 -6.208
10 HD3 LYS 1 HD3 LYS 1 -8.450 3.152 -4.908
11 HE2 LYS 1 HE2 LYS 1 -6.901 2.207 -6.567
12 HE3 LYS 1 HE3 LYS 1 -7.891 2.831 -7.898
13 HZ1 LYS 1 HZ1 LYS 1 -7.276 5.048 -7.296
14 HZ2 LYS 1 HZ2 LYS 1 -6.780 4.574 -5.777
15 HZ3 LYS 1 HZ3 LYS 1 -5.857 4.198 -6.962
16 H LEU 2 H LEU 2 -10.013 -0.917 -3.190
17 HA LEU 2 HA LEU 2 -7.970 -2.139 -4.624
18 HB2 LEU 2 HB2 LEU 2 -8.053 -1.438 -2.230
19 HB3 LEU 2 HB3 LEU 2 -9.137 -2.783 -1.891
20 HG LEU 2 HG LEU 2 -7.310 -4.365 -2.592
21 HD11 LEU 2 HD11 LEU 2 -5.005 -3.522 -2.730
22 HD12 LEU 2 HD12 LEU 2 -5.963 -2.798 -4.010
23 HD13 LEU 2 HD13 LEU 2 -5.567 -1.848 -2.568
24 HD21 LEU 2 HD21 LEU 2 -6.667 -2.393 -0.345
25 HD22 LEU 2 HD22 LEU 2 -7.728 -3.814 -0.229
26 HD23 LEU 2 HD23 LEU 2 -6.000 -4.033 -0.505
27 HA PRO 3 HA PRO 3 -10.383 -5.740 -5.956
28 HB2 PRO 3 HB2 PRO 3 -8.832 -6.622 -8.004
29 HB3 PRO 3 HB3 PRO 3 -9.648 -5.027 -8.069
30 HG2 PRO 3 HG2 PRO 3 -6.812 -5.649 -7.214
31 HG3 PRO 3 HG3 PRO 3 -7.340 -4.454 -8.450
32 HD2 PRO 3 HD2 PRO 3 -6.820 -3.750 -5.861
33 HD3 PRO 3 HD3 PRO 3 -8.122 -2.968 -6.806
34 HA PRO 4 HA PRO 4 -8.933 -9.298 -3.897
35 HB2 PRO 4 HB2 PRO 4 -9.331 -11.441 -5.650
36 HB3 PRO 4 HB3 PRO 4 -10.582 -10.644 -4.650
37 HG2 PRO 4 HG2 PRO 4 -9.875 -10.108 -7.545
38 HG3 PRO 4 HG3 PRO 4 -11.503 -10.298 -6.814
39 HD2 PRO 4 HD2 PRO 4 -10.517 -7.856 -7.315
40 HD3 PRO 4 HD3 PRO 4 -11.377 -8.155 -5.780
41 H GLY 5 H GLY 5 -7.157 -10.396 -3.402
42 HA2 GLY 5 HA2 GLY 5 -5.013 -11.285 -3.565
43 HA3 GLY 5 HA3 GLY 5 -4.975 -10.909 -5.291
44 H TRP 6 H TRP 6 -5.895 -7.956 -4.391
45 HA TRP 6 HA TRP 6 -3.135 -6.989 -4.145
46 HB2 TRP 6 HB2 TRP 6 -5.039 -6.254 -5.825
47 HB3 TRP 6 HB3 TRP 6 -5.504 -5.210 -4.510
48 HD1 TRP 6 HD1 TRP 6 -2.466 -4.467 -3.628
49 HE1 TRP 6 HE1 TRP 6 -1.053 -2.878 -5.094
50 HE3 TRP 6 HE3 TRP 6 -4.901 -5.064 -8.094
51 HZ2 TRP 6 HZ2 TRP 6 -1.210 -1.766 -7.757
52 HZ3 TRP 6 HZ3 TRP 6 -4.265 -3.716 -10.060
53 HH2 TRP 6 HH2 TRP 6 -2.436 -2.045 -9.896
54 H GLU 7 H GLU 7 -2.293 -6.692 -2.166
55 HA GLU 7 HA GLU 7 -3.910 -5.236 -0.185
56 HB2 GLU 7 HB2 GLU 7 -3.509 -8.135 -0.040
57 HB3 GLU 7 HB3 GLU 7 -2.765 -7.362 1.345
58 HG2 GLU 7 HG2 GLU 7 -5.656 -6.896 0.487
59 HG3 GLU 7 HG3 GLU 7 -5.135 -8.069 1.692
60 H LYS 8 H LYS 8 -2.719 -4.642 1.767
61 HA LYS 8 HA LYS 8 -0.410 -3.242 1.186
62 HB2 LYS 8 HB2 LYS 8 -0.103 -2.656 3.400
63 HB3 LYS 8 HB3 LYS 8 -1.822 -2.748 3.129
64 HG2 LYS 8 HG2 LYS 8 -0.312 -5.046 4.444
65 HG3 LYS 8 HG3 LYS 8 -0.769 -3.620 5.359
66 HD2 LYS 8 HD2 LYS 8 -2.742 -5.337 3.836
67 HD3 LYS 8 HD3 LYS 8 -2.383 -5.537 5.544
68 HE2 LYS 8 HE2 LYS 8 -3.520 -3.676 6.209
69 HE3 LYS 8 HE3 LYS 8 -3.069 -2.741 4.778
70 HZ1 LYS 8 HZ1 LYS 8 -4.683 -3.944 3.489
71 HZ2 LYS 8 HZ2 LYS 8 -5.067 -4.930 4.609
72 HZ3 LYS 8 HZ3 LYS 8 -5.477 -3.307 4.815
73 H ARG 9 H ARG 9 1.766 -3.296 1.456
74 HA ARG 9 HA ARG 9 3.170 -5.796 2.076
75 HB2 ARG 9 HB2 ARG 9 2.239 -5.033 -0.424
76 HB3 ARG 9 HB3 ARG 9 3.679 -4.065 -0.349
77 HG2 ARG 9 HG2 ARG 9 4.026 -6.118 -1.471
78 HG3 ARG 9 HG3 ARG 9 5.041 -6.081 -0.029
79 HD2 ARG 9 HD2 ARG 9 3.850 -8.264 -0.717
80 HD3 ARG 9 HD3 ARG 9 3.869 -7.799 0.997
81 HE ARG 9 HE ARG 9 1.511 -6.849 0.561
82 HH11 ARG 9 HH21 ARG 9 2.499 -10.008 -0.573
83 HH12 ARG 9 HH22 ARG 9 0.835 -10.369 -1.058
84 HH21 ARG 9 HH11 ARG 9 -0.396 -7.266 -0.518
85 HH22 ARG 9 HH12 ARG 9 -0.682 -8.926 -1.055
86 H MET 10 H MET 10 5.642 -5.302 2.028
87 HA MET 10 HA MET 10 6.351 -2.491 2.412
88 HB2 MET 10 HB2 MET 10 5.473 -3.240 4.636
89 HB3 MET 10 HB3 MET 10 6.716 -4.495 4.676
90 HG2 MET 10 HG2 MET 10 8.481 -2.774 4.621
91 HG3 MET 10 HG3 MET 10 7.271 -1.512 4.399
92 HE1 MET 10 HE1 MET 10 7.387 -4.637 6.928
93 HE2 MET 10 HE2 MET 10 9.036 -3.971 6.825
94 HE3 MET 10 HE3 MET 10 8.102 -3.813 8.330
95 H PHE 11 H PHE 11 8.245 -2.107 1.589
96 HA PHE 11 HA PHE 11 10.206 -4.140 0.853
97 HB2 PHE 11 HB2 PHE 11 10.181 -1.097 0.784
98 HB3 PHE 11 HB3 PHE 11 11.483 -2.107 0.186
99 HD1 PHE 11 HD2 PHE 11 10.960 -3.884 -1.618
100 HD2 PHE 11 HD1 PHE 11 8.452 -0.457 -0.778
101 HE1 PHE 11 HE2 PHE 11 9.964 -4.065 -3.872
102 HE2 PHE 11 HE1 PHE 11 7.485 -0.663 -3.067
103 HZ PHE 11 HZ PHE 11 8.240 -2.430 -4.603
104 H ALA 12 H ALA 12 11.892 -4.791 2.146
105 HA ALA 12 HA ALA 12 11.995 -4.207 4.874
106 HB1 ALA 12 HB1 ALA 12 12.815 -6.277 3.822
107 HB2 ALA 12 HB2 ALA 12 14.147 -5.375 3.057
108 HB3 ALA 12 HB3 ALA 12 14.072 -5.532 4.825
109 H ASN 13 H ASN 13 13.705 -2.516 2.246
110 HA ASN 13 HA ASN 13 15.409 -0.956 3.987
111 HB2 ASN 13 HB2 ASN 13 15.791 0.346 1.865
112 HB3 ASN 13 HB3 ASN 13 16.169 -1.366 1.771
113 HD21 ASN 13 HD21 ASN 13 14.713 1.123 0.075
114 H GLY 14 H GLY 14 12.126 -0.948 3.983
115 HA2 GLY 14 HA2 GLY 14 10.977 0.428 5.439
116 HA3 GLY 14 HA3 GLY 14 12.140 1.730 5.197
117 H THR 15 H THR 15 9.725 -0.120 3.134
118 HA THR 15 HA THR 15 8.307 2.431 2.735
119 HB THR 15 HB THR 15 9.651 1.088 0.385
120 HG1 THR 15 HG1 THR 15 10.317 3.016 2.011
121 HG21 THR 15 HG21 THR 15 8.616 2.857 -0.980
122 HG22 THR 15 HG22 THR 15 7.360 1.790 -0.312
123 HG23 THR 15 HG23 THR 15 7.657 3.396 0.409
124 H VAL 16 H VAL 16 6.224 2.061 2.967
125 HA VAL 16 HA VAL 16 5.143 -0.662 2.548
126 HB VAL 16 HB VAL 16 4.148 1.816 3.988
127 HG11 VAL 16 HG11 VAL 16 2.125 0.879 2.943
128 HG12 VAL 16 HG12 VAL 16 2.563 -0.748 3.510
129 HG13 VAL 16 HG13 VAL 16 2.137 0.525 4.668
130 HG21 VAL 16 HG21 VAL 16 4.628 -1.054 4.898
131 HG22 VAL 16 HG22 VAL 16 5.757 0.296 5.164
132 HG23 VAL 16 HG23 VAL 16 4.165 0.308 5.935
133 H TYR 17 H TYR 17 3.588 -1.147 1.090
134 HA TYR 17 HA TYR 17 2.363 0.860 -0.686
135 HB2 TYR 17 HB2 TYR 17 3.312 -0.170 -2.704
136 HB3 TYR 17 HB3 TYR 17 4.596 0.427 -1.681
137 HD1 TYR 17 HD1 TYR 17 5.906 -1.144 -0.266
138 HD2 TYR 17 HD2 TYR 17 3.280 -2.518 -3.392
139 HE1 TYR 17 HE1 TYR 17 7.144 -3.331 -0.364
140 HE2 TYR 17 HE2 TYR 17 4.645 -4.631 -3.569
141 HH TYR 17 HH TYR 17 6.541 -5.715 -2.893
142 H TYR 18 H TYR 18 0.808 -0.415 -2.232
143 HA TYR 18 HA TYR 18 -0.066 -3.014 -1.078
144 HB2 TYR 18 HB2 TYR 18 -1.401 -0.878 -2.768
145 HB3 TYR 18 HB3 TYR 18 -2.064 -2.505 -2.666
146 HD1 TYR 18 HD1 TYR 18 -0.731 0.150 -0.363
147 HD2 TYR 18 HD2 TYR 18 -3.658 -2.958 -1.007
148 HE1 TYR 18 HE1 TYR 18 -1.504 0.464 1.840
149 HE2 TYR 18 HE2 TYR 18 -4.647 -2.456 1.211
150 HH TYR 18 HH TYR 18 -4.603 -0.223 2.713
151 H PHE 19 H PHE 19 -0.039 -4.918 -2.105
152 HA PHE 19 HA PHE 19 0.999 -4.997 -4.912
153 HB2 PHE 19 HB2 PHE 19 2.705 -5.387 -3.178
154 HB3 PHE 19 HB3 PHE 19 1.748 -6.686 -2.510
155 HD1 PHE 19 HD2 PHE 19 3.450 -5.622 -5.685
156 HD2 PHE 19 HD1 PHE 19 2.083 -8.916 -3.273
157 HE1 PHE 19 HE2 PHE 19 4.667 -7.199 -7.154
158 HE2 PHE 19 HE1 PHE 19 3.331 -10.494 -4.732
159 HZ PHE 19 HZ PHE 19 4.612 -9.644 -6.674
160 H ASN 20 H ASN 20 0.030 -6.409 -6.263
161 HA ASN 20 HA ASN 20 -2.058 -8.214 -5.217
162 HB2 ASN 20 HB2 ASN 20 -2.547 -6.720 -7.171
163 HB3 ASN 20 HB3 ASN 20 -1.379 -7.659 -8.098
164 HD21 ASN 20 HD21 ASN 20 -4.660 -7.467 -7.171
165 HD22 ASN 20 HD22 ASN 20 -5.128 -9.120 -7.416
166 H HIS 21 H HIS 21 -1.143 -9.921 -4.257
167 HA HIS 21 HA HIS 21 1.198 -11.222 -5.437
168 HB2 HIS 21 HB2 HIS 21 0.945 -12.781 -3.480
169 HB3 HIS 21 HB3 HIS 21 1.193 -11.094 -3.112
170 HD2 HIS 21 HD2 HIS 21 -1.869 -13.502 -3.401
171 HE1 HIS 21 HE1 HIS 21 -2.670 -10.675 -0.306
172 HE2 HIS 21 HE2 HIS 21 -3.555 -12.732 -1.519
173 H ILE 22 H ILE 22 -1.339 -11.179 -7.041
174 HA ILE 22 HA ILE 22 -1.174 -14.057 -7.799
175 HB ILE 22 HB ILE 22 -3.611 -12.297 -8.251
176 HG12 ILE 22 HG12 ILE 22 -3.216 -14.449 -6.121
177 HG13 ILE 22 HG13 ILE 22 -3.372 -12.719 -5.820
178 HG21 ILE 22 HG21 ILE 22 -3.225 -14.130 -9.901
179 HG22 ILE 22 HG22 ILE 22 -3.190 -15.301 -8.568
180 HG23 ILE 22 HG23 ILE 22 -4.674 -14.397 -8.951
181 HD11 ILE 22 HD11 ILE 22 -5.549 -14.552 -6.862
182 HD12 ILE 22 HD12 ILE 22 -5.474 -13.698 -5.316
183 HD13 ILE 22 HD13 ILE 22 -5.674 -12.775 -6.819
184 H THR 23 H THR 23 -1.581 -10.638 -8.941
185 HA THR 23 HA THR 23 -0.630 -11.461 -11.632
186 HB THR 23 HB THR 23 -1.284 -9.274 -12.368
187 HG1 THR 23 HG1 THR 23 -2.287 -7.879 -10.812
188 HG21 THR 23 HG21 THR 23 -3.667 -9.293 -11.969
189 HG22 THR 23 HG22 THR 23 -3.106 -10.970 -12.090
190 HG23 THR 23 HG23 THR 23 -3.475 -10.271 -10.498
191 H ASN 24 H ASN 24 0.650 -9.878 -8.801
192 HA ASN 24 HA ASN 24 2.610 -9.090 -8.236
193 HB2 ASN 24 HB2 ASN 24 3.690 -9.248 -11.065
194 HB3 ASN 24 HB3 ASN 24 4.592 -9.018 -9.578
195 HD21 ASN 24 HD22 ASN 24 2.844 -11.344 -11.530
196 HD22 ASN 24 HD21 ASN 24 3.498 -12.766 -10.690
197 H ALA 25 H ALA 25 0.288 -7.529 -9.836
198 HA ALA 25 HA ALA 25 1.518 -5.034 -10.518
199 HB1 ALA 25 HB1 ALA 25 -0.774 -5.717 -11.183
200 HB2 ALA 25 HB2 ALA 25 -1.296 -5.589 -9.484
201 HB3 ALA 25 HB3 ALA 25 -0.753 -4.146 -10.365
202 H SER 26 H SER 26 1.506 -2.973 -9.295
203 HA SER 26 HA SER 26 1.383 -3.194 -6.370
204 HB2 SER 26 HB2 SER 26 3.594 -2.107 -6.125
205 HB3 SER 26 HB3 SER 26 3.676 -3.759 -6.737
206 HG SER 26 HG SER 26 4.041 -2.962 -8.790
207 H GLN 27 H GLN 27 1.108 -1.230 -5.278
208 HA GLN 27 HA GLN 27 1.043 1.255 -6.867
209 HB2 GLN 27 HB2 GLN 27 -1.339 -0.124 -5.982
210 HB3 GLN 27 HB3 GLN 27 -1.170 1.294 -4.972
211 HG2 GLN 27 HG2 GLN 27 -1.202 1.296 -8.020
212 HG3 GLN 27 HG3 GLN 27 -2.559 1.689 -6.971
213 HE21 GLN 27 HE22 GLN 27 -2.917 4.011 -6.707
214 HE22 GLN 27 HE21 GLN 27 -1.552 5.074 -7.000
215 H PHE 28 H PHE 28 1.755 3.019 -5.770
216 HA PHE 28 HA PHE 28 2.697 2.655 -2.980
217 HB2 PHE 28 HB2 PHE 28 3.319 4.742 -5.077
218 HB3 PHE 28 HB3 PHE 28 3.818 4.891 -3.391
219 HD1 PHE 28 HD2 PHE 28 5.050 2.841 -2.302
220 HD2 PHE 28 HD1 PHE 28 4.724 3.490 -6.556
221 HE1 PHE 28 HE2 PHE 28 7.012 1.419 -2.657
222 HE2 PHE 28 HE1 PHE 28 6.700 2.027 -6.918
223 HZ PHE 28 HZ PHE 28 7.857 0.990 -4.977
224 H GLU 29 H GLU 29 -0.101 3.303 -4.184
225 HA GLU 29 HA GLU 29 -1.110 5.435 -2.405
226 HB2 GLU 29 HB2 GLU 29 -2.051 5.152 -4.605
227 HB3 GLU 29 HB3 GLU 29 -2.280 3.406 -4.347
228 HG2 GLU 29 HG2 GLU 29 -4.038 3.905 -2.680
229 HG3 GLU 29 HG3 GLU 29 -3.813 5.635 -2.978
230 H ARG 30 H ARG 30 -2.605 4.857 -0.597
231 HA ARG 30 HA ARG 30 -2.396 2.028 0.313
232 HB2 ARG 30 HB2 ARG 30 -1.834 4.481 1.994
233 HB3 ARG 30 HB3 ARG 30 -2.006 2.834 2.627
234 HG2 ARG 30 HG2 ARG 30 -0.041 2.067 1.421
235 HG3 ARG 30 HG3 ARG 30 0.019 3.538 0.482
236 HD2 ARG 30 HD2 ARG 30 0.406 4.759 2.761
237 HD3 ARG 30 HD3 ARG 30 0.804 3.146 3.367
238 HE ARG 30 HE ARG 30 2.763 3.136 2.019
239 HH11 ARG 30 HH11 ARG 30 0.834 5.884 1.006
240 HH12 ARG 30 HH12 ARG 30 1.665 5.849 -0.538
241 HH21 ARG 30 HH21 ARG 30 3.975 3.560 0.317
242 HH22 ARG 30 HH22 ARG 30 3.660 4.986 -0.690
243 HA PRO 31 HA PRO 31 -6.784 3.163 0.779
244 HB2 PRO 31 HB2 PRO 31 -7.913 1.374 -0.877
245 HB3 PRO 31 HB3 PRO 31 -6.924 2.706 -1.543
246 HG2 PRO 31 HG2 PRO 31 -6.109 -0.166 -1.057
247 HG3 PRO 31 HG3 PRO 31 -5.803 0.846 -2.505
248 HD2 PRO 31 HD2 PRO 31 -4.078 0.450 -0.313
249 HD3 PRO 31 HD3 PRO 31 -3.891 1.743 -1.496
250 H SER 32 H SER 32 -8.723 1.518 1.315
251 HA SER 32 HA SER 32 -7.777 -0.912 2.727
252 HB2 SER 32 HB2 SER 32 -7.892 0.887 4.427
253 HB3 SER 32 HB3 SER 32 -9.607 1.136 4.026
254 HG SER 32 HG SER 32 -9.797 -1.195 4.421
255 H GLY 33 H GLY 33 -9.568 -0.117 0.186
256 HA2 GLY 33 HA2 GLY 33 -11.130 -2.332 -0.020
257 HA3 GLY 33 HA3 GLY 33 -12.177 -1.172 0.807
258 H1 NAG 101 H1 NAG 34 12.237 -0.101 -0.444
259 H2 NAG 101 H2 NAG 34 13.613 2.170 -1.987
260 H3 NAG 101 H3 NAG 34 10.697 1.298 -1.721
261 H4 NAG 101 H4 NAG 34 12.565 1.310 -4.148
262 H5 NAG 101 H5 NAG 34 11.346 -0.965 -2.536
263 H61 NAG 101 H61 NAG 34 12.624 -2.527 -3.816
264 H62 NAG 101 H62 NAG 34 11.745 -1.535 -4.982
265 H81 NAG 101 H2M NAG 34 13.921 4.915 1.699
266 H82 NAG 101 H3M NAG 34 12.883 3.679 2.435
267 H83 NAG 101 H1M NAG 34 12.229 4.770 1.188
268 HN2 NAG 101 H2N NAG 34 11.593 2.773 0.074
269 HO3 NAG 101 H3O NAG 34 11.098 3.654 -1.984
270 HO4 NAG 101 H4O NAG 34 10.261 1.763 -4.278
271 HO6 NAG 101 H6O NAG 34 14.380 -0.975 -4.033
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -7.730 3.476 -2.250
2 H2 LYS 1 H2 LYS 1 -7.822 2.431 -0.994
3 H3 LYS 1 H3 LYS 1 -8.981 3.593 -1.187
4 HA LYS 1 HA LYS 1 -9.743 1.364 -1.857
5 HB2 LYS 1 HB2 LYS 1 -10.785 2.147 -3.968
6 HB3 LYS 1 HB3 LYS 1 -10.930 3.276 -2.639
7 HG2 LYS 1 HG2 LYS 1 -8.550 4.046 -4.049
8 HG3 LYS 1 HG3 LYS 1 -9.692 3.621 -5.285
9 HD2 LYS 1 HD2 LYS 1 -10.924 5.487 -4.973
10 HD3 LYS 1 HD3 LYS 1 -10.917 5.369 -3.225
11 HE2 LYS 1 HE2 LYS 1 -8.642 6.484 -4.921
12 HE3 LYS 1 HE3 LYS 1 -9.838 7.421 -4.013
13 HZ1 LYS 1 HZ1 LYS 1 -7.996 7.300 -2.581
14 HZ2 LYS 1 HZ2 LYS 1 -8.973 6.121 -1.992
15 HZ3 LYS 1 HZ3 LYS 1 -7.673 5.717 -2.904
16 H LEU 2 H LEU 2 -9.151 -0.616 -2.864
17 HA LEU 2 HA LEU 2 -7.517 -0.427 -5.227
18 HB2 LEU 2 HB2 LEU 2 -5.824 -2.083 -4.405
19 HB3 LEU 2 HB3 LEU 2 -5.711 -0.446 -3.799
20 HG LEU 2 HG LEU 2 -6.630 -1.158 -1.594
21 HD11 LEU 2 HD11 LEU 2 -6.706 -3.904 -2.892
22 HD12 LEU 2 HD12 LEU 2 -6.538 -3.695 -1.154
23 HD13 LEU 2 HD13 LEU 2 -7.985 -3.085 -1.977
24 HD21 LEU 2 HD21 LEU 2 -4.210 -1.100 -2.125
25 HD22 LEU 2 HD22 LEU 2 -4.685 -2.245 -0.869
26 HD23 LEU 2 HD23 LEU 2 -4.297 -2.838 -2.494
27 HA PRO 3 HA PRO 3 -9.989 -3.858 -6.378
28 HB2 PRO 3 HB2 PRO 3 -7.754 -5.043 -7.965
29 HB3 PRO 3 HB3 PRO 3 -9.344 -4.458 -8.520
30 HG2 PRO 3 HG2 PRO 3 -7.048 -3.057 -9.012
31 HG3 PRO 3 HG3 PRO 3 -8.600 -2.238 -8.649
32 HD2 PRO 3 HD2 PRO 3 -6.300 -2.796 -6.764
33 HD3 PRO 3 HD3 PRO 3 -7.242 -1.301 -7.010
34 HA PRO 4 HA PRO 4 -9.226 -7.742 -4.213
35 HB2 PRO 4 HB2 PRO 4 -9.693 -9.091 -6.880
36 HB3 PRO 4 HB3 PRO 4 -10.339 -9.533 -5.267
37 HG2 PRO 4 HG2 PRO 4 -11.896 -8.182 -7.015
38 HG3 PRO 4 HG3 PRO 4 -11.858 -7.680 -5.291
39 HD2 PRO 4 HD2 PRO 4 -10.390 -6.460 -7.638
40 HD3 PRO 4 HD3 PRO 4 -11.271 -5.648 -6.307
41 H GLY 5 H GLY 5 -7.501 -9.013 -3.705
42 HA2 GLY 5 HA2 GLY 5 -5.620 -10.325 -3.963
43 HA3 GLY 5 HA3 GLY 5 -5.573 -9.932 -5.682
44 H TRP 6 H TRP 6 -5.627 -6.880 -4.638
45 HA TRP 6 HA TRP 6 -2.743 -6.498 -4.464
46 HB2 TRP 6 HB2 TRP 6 -5.099 -4.607 -4.242
47 HB3 TRP 6 HB3 TRP 6 -3.413 -4.140 -4.219
48 HD1 TRP 6 HD1 TRP 6 -5.944 -5.783 -6.601
49 HE1 TRP 6 HE1 TRP 6 -5.396 -5.100 -9.020
50 HE3 TRP 6 HE3 TRP 6 -1.638 -3.131 -5.752
51 HZ2 TRP 6 HZ2 TRP 6 -3.428 -3.530 -10.390
52 HZ3 TRP 6 HZ3 TRP 6 -0.490 -2.013 -7.646
53 HH2 TRP 6 HH2 TRP 6 -1.369 -2.190 -9.949
54 H GLU 7 H GLU 7 -1.827 -7.209 -2.579
55 HA GLU 7 HA GLU 7 -3.217 -6.605 -0.007
56 HB2 GLU 7 HB2 GLU 7 -3.220 -8.957 -1.155
57 HB3 GLU 7 HB3 GLU 7 -1.565 -9.048 -0.631
58 HG2 GLU 7 HG2 GLU 7 -4.089 -8.743 1.049
59 HG3 GLU 7 HG3 GLU 7 -3.105 -10.192 0.910
60 H LYS 8 H LYS 8 -1.817 -6.351 1.871
61 HA LYS 8 HA LYS 8 0.091 -4.324 1.363
62 HB2 LYS 8 HB2 LYS 8 0.227 -4.107 3.733
63 HB3 LYS 8 HB3 LYS 8 -1.427 -4.583 3.353
64 HG2 LYS 8 HG2 LYS 8 -0.349 -7.034 3.724
65 HG3 LYS 8 HG3 LYS 8 0.751 -6.130 4.749
66 HD2 LYS 8 HD2 LYS 8 -1.060 -5.415 6.178
67 HD3 LYS 8 HD3 LYS 8 -2.283 -5.965 5.019
68 HE2 LYS 8 HE2 LYS 8 -0.346 -7.781 6.527
69 HE3 LYS 8 HE3 LYS 8 -2.060 -7.531 6.904
70 HZ1 LYS 8 HZ1 LYS 8 -2.004 -9.475 5.554
71 HZ2 LYS 8 HZ2 LYS 8 -2.426 -8.259 4.479
72 HZ3 LYS 8 HZ3 LYS 8 -0.966 -8.807 4.444
73 H ARG 9 H ARG 9 2.232 -4.160 1.380
74 HA ARG 9 HA ARG 9 4.011 -6.434 2.167
75 HB2 ARG 9 HB2 ARG 9 4.288 -4.785 -0.353
76 HB3 ARG 9 HB3 ARG 9 5.400 -6.049 0.160
77 HG2 ARG 9 HG2 ARG 9 2.627 -6.396 -0.969
78 HG3 ARG 9 HG3 ARG 9 4.177 -6.722 -1.708
79 HD2 ARG 9 HD2 ARG 9 3.947 -8.833 -1.202
80 HD3 ARG 9 HD3 ARG 9 4.424 -8.378 0.424
81 HE ARG 9 HE ARG 9 2.049 -8.304 1.061
82 HH11 ARG 9 HH11 ARG 9 2.472 -9.897 -2.051
83 HH12 ARG 9 HH12 ARG 9 0.960 -10.787 -1.843
84 HH21 ARG 9 HH22 ARG 9 0.129 -9.610 1.239
85 HH22 ARG 9 HH21 ARG 9 -0.125 -10.690 -0.112
86 H MET 10 H MET 10 6.412 -5.462 1.786
87 HA MET 10 HA MET 10 6.772 -2.699 2.700
88 HB2 MET 10 HB2 MET 10 7.368 -5.186 4.357
89 HB3 MET 10 HB3 MET 10 8.329 -3.713 4.528
90 HG2 MET 10 HG2 MET 10 6.358 -2.415 5.085
91 HG3 MET 10 HG3 MET 10 5.329 -3.852 4.936
92 HE1 MET 10 HE1 MET 10 5.504 -1.851 7.500
93 HE2 MET 10 HE2 MET 10 4.361 -3.205 7.321
94 HE3 MET 10 HE3 MET 10 5.353 -3.063 8.791
95 H PHE 11 H PHE 11 8.554 -1.936 1.741
96 HA PHE 11 HA PHE 11 10.493 -3.626 0.329
97 HB2 PHE 11 HB2 PHE 11 10.213 -0.672 0.844
98 HB3 PHE 11 HB3 PHE 11 11.607 -1.352 0.028
99 HD1 PHE 11 HD1 PHE 11 11.116 -2.988 -1.986
100 HD2 PHE 11 HD2 PHE 11 8.357 0.030 -0.556
101 HE1 PHE 11 HE1 PHE 11 10.039 -2.902 -4.215
102 HE2 PHE 11 HE2 PHE 11 7.336 0.121 -2.815
103 HZ PHE 11 HZ PHE 11 8.176 -1.315 -4.631
104 H ALA 12 H ALA 12 12.828 -3.588 0.821
105 HA ALA 12 HA ALA 12 13.445 -4.191 3.491
106 HB1 ALA 12 HB1 ALA 12 15.752 -4.338 2.645
107 HB2 ALA 12 HB2 ALA 12 14.614 -5.074 1.505
108 HB3 ALA 12 HB3 ALA 12 15.289 -3.459 1.173
109 H ASN 13 H ASN 13 13.143 -1.040 2.198
110 HA ASN 13 HA ASN 13 14.855 0.222 4.262
111 HB2 ASN 13 HB2 ASN 13 14.318 2.308 3.041
112 HB3 ASN 13 HB3 ASN 13 15.037 1.091 1.990
113 HD21 ASN 13 HD21 ASN 13 14.079 2.399 0.189
114 H GLY 14 H GLY 14 11.790 -1.125 4.259
115 HA2 GLY 14 HA2 GLY 14 10.280 -0.985 6.018
116 HA3 GLY 14 HA3 GLY 14 10.865 0.622 6.454
117 H THR 15 H THR 15 10.068 0.146 3.024
118 HA THR 15 HA THR 15 7.954 2.194 3.413
119 HB THR 15 HB THR 15 9.294 1.219 0.887
120 HG1 THR 15 HG1 THR 15 10.757 2.141 2.082
121 HG21 THR 15 HG21 THR 15 7.073 2.342 0.491
122 HG22 THR 15 HG22 THR 15 7.717 3.776 1.321
123 HG23 THR 15 HG23 THR 15 8.468 3.192 -0.188
124 H VAL 16 H VAL 16 5.823 1.729 3.299
125 HA VAL 16 HA VAL 16 5.050 -1.055 2.718
126 HB VAL 16 HB VAL 16 3.709 1.310 4.078
127 HG11 VAL 16 HG11 VAL 16 1.863 0.208 2.903
128 HG12 VAL 16 HG12 VAL 16 2.424 -1.390 3.452
129 HG13 VAL 16 HG13 VAL 16 1.793 -0.204 4.613
130 HG21 VAL 16 HG21 VAL 16 4.310 -1.507 5.053
131 HG22 VAL 16 HG22 VAL 16 5.380 -0.108 5.344
132 HG23 VAL 16 HG23 VAL 16 3.747 -0.137 6.031
133 H TYR 17 H TYR 17 3.692 -1.691 1.160
134 HA TYR 17 HA TYR 17 2.221 0.197 -0.520
135 HB2 TYR 17 HB2 TYR 17 3.215 -0.633 -2.611
136 HB3 TYR 17 HB3 TYR 17 4.442 0.103 -1.611
137 HD1 TYR 17 HD2 TYR 17 6.082 -1.236 -0.367
138 HD2 TYR 17 HD1 TYR 17 3.415 -3.064 -3.240
139 HE1 TYR 17 HE2 TYR 17 7.610 -3.148 -0.548
140 HE2 TYR 17 HE1 TYR 17 4.956 -5.010 -3.401
141 HH TYR 17 HH TYR 17 8.020 -5.161 -1.588
142 H TYR 18 H TYR 18 0.878 -1.194 -2.146
143 HA TYR 18 HA TYR 18 0.342 -3.924 -1.089
144 HB2 TYR 18 HB2 TYR 18 -1.448 -1.913 -2.479
145 HB3 TYR 18 HB3 TYR 18 -1.870 -3.614 -2.263
146 HD1 TYR 18 HD2 TYR 18 -0.612 -0.690 -0.249
147 HD2 TYR 18 HD1 TYR 18 -3.110 -4.196 -0.340
148 HE1 TYR 18 HE2 TYR 18 -1.065 -0.368 2.067
149 HE2 TYR 18 HE1 TYR 18 -3.800 -3.753 1.982
150 HH TYR 18 HH TYR 18 -3.332 -2.531 3.912
151 H PHE 19 H PHE 19 0.225 -5.632 -2.371
152 HA PHE 19 HA PHE 19 1.332 -5.411 -5.134
153 HB2 PHE 19 HB2 PHE 19 2.954 -5.999 -3.413
154 HB3 PHE 19 HB3 PHE 19 1.940 -7.349 -2.893
155 HD1 PHE 19 HD1 PHE 19 1.668 -9.349 -4.337
156 HD2 PHE 19 HD2 PHE 19 4.415 -6.186 -5.325
157 HE1 PHE 19 HE1 PHE 19 2.949 -10.907 -5.816
158 HE2 PHE 19 HE2 PHE 19 5.654 -7.703 -6.803
159 HZ PHE 19 HZ PHE 19 4.923 -10.088 -7.053
160 H ASN 20 H ASN 20 0.069 -6.340 -6.601
161 HA ASN 20 HA ASN 20 -2.201 -8.017 -5.904
162 HB2 ASN 20 HB2 ASN 20 -2.226 -6.340 -7.761
163 HB3 ASN 20 HB3 ASN 20 -1.037 -7.311 -8.607
164 HD21 ASN 20 HD22 ASN 20 -4.421 -7.165 -7.510
165 HD22 ASN 20 HD21 ASN 20 -4.929 -8.597 -8.370
166 H HIS 21 H HIS 21 -1.324 -9.863 -4.877
167 HA HIS 21 HA HIS 21 0.734 -11.411 -6.261
168 HB2 HIS 21 HB2 HIS 21 0.457 -13.072 -4.448
169 HB3 HIS 21 HB3 HIS 21 0.913 -11.464 -3.961
170 HD2 HIS 21 HD2 HIS 21 -2.693 -12.883 -4.449
171 HE1 HIS 21 HE1 HIS 21 -2.266 -11.726 -0.378
172 HE2 HIS 21 HE2 HIS 21 -3.879 -12.634 -2.113
173 H ILE 22 H ILE 22 -1.725 -10.928 -7.797
174 HA ILE 22 HA ILE 22 -2.136 -13.746 -8.678
175 HB ILE 22 HB ILE 22 -3.995 -11.377 -9.126
176 HG12 ILE 22 HG12 ILE 22 -4.338 -13.742 -7.229
177 HG13 ILE 22 HG13 ILE 22 -4.004 -12.083 -6.739
178 HG21 ILE 22 HG21 ILE 22 -4.326 -14.335 -9.780
179 HG22 ILE 22 HG22 ILE 22 -5.563 -13.079 -10.019
180 HG23 ILE 22 HG23 ILE 22 -4.087 -13.023 -10.953
181 HD11 ILE 22 HD11 ILE 22 -6.560 -13.078 -8.018
182 HD12 ILE 22 HD12 ILE 22 -6.313 -12.439 -6.390
183 HD13 ILE 22 HD13 ILE 22 -6.161 -11.354 -7.786
184 H THR 23 H THR 23 -0.889 -10.568 -9.399
185 HA THR 23 HA THR 23 -0.184 -11.394 -12.192
186 HB THR 23 HB THR 23 -0.472 -9.023 -12.833
187 HG1 THR 23 HG1 THR 23 -1.730 -8.754 -10.316
188 HG21 THR 23 HG21 THR 23 -2.378 -10.556 -13.191
189 HG22 THR 23 HG22 THR 23 -3.017 -10.154 -11.586
190 HG23 THR 23 HG23 THR 23 -2.904 -8.899 -12.837
191 H ASN 24 H ASN 24 0.938 -9.934 -9.202
192 HA ASN 24 HA ASN 24 2.880 -9.306 -8.453
193 HB2 ASN 24 HB2 ASN 24 4.209 -9.461 -11.174
194 HB3 ASN 24 HB3 ASN 24 4.978 -9.354 -9.604
195 HD21 ASN 24 HD22 ASN 24 3.293 -11.467 -11.821
196 HD22 ASN 24 HD21 ASN 24 3.790 -12.968 -11.011
197 H ALA 25 H ALA 25 0.789 -7.515 -10.177
198 HA ALA 25 HA ALA 25 2.355 -5.118 -10.609
199 HB1 ALA 25 HB1 ALA 25 0.175 -4.027 -10.740
200 HB2 ALA 25 HB2 ALA 25 0.127 -5.558 -11.632
201 HB3 ALA 25 HB3 ALA 25 -0.621 -5.443 -10.024
202 H SER 26 H SER 26 2.456 -3.176 -9.211
203 HA SER 26 HA SER 26 1.721 -3.550 -6.363
204 HB2 SER 26 HB2 SER 26 3.974 -2.867 -5.650
205 HB3 SER 26 HB3 SER 26 4.023 -4.397 -6.534
206 HG SER 26 HG SER 26 4.352 -1.921 -7.865
207 H GLN 27 H GLN 27 1.184 -1.660 -5.295
208 HA GLN 27 HA GLN 27 2.126 0.907 -6.330
209 HB2 GLN 27 HB2 GLN 27 0.079 0.401 -7.680
210 HB3 GLN 27 HB3 GLN 27 -0.862 0.278 -6.196
211 HG2 GLN 27 HG2 GLN 27 -1.144 2.434 -7.420
212 HG3 GLN 27 HG3 GLN 27 -0.594 2.655 -5.769
213 HE21 GLN 27 HE22 GLN 27 0.376 2.964 -9.219
214 HE22 GLN 27 HE21 GLN 27 1.845 3.831 -8.801
215 H PHE 28 H PHE 28 1.840 2.650 -4.832
216 HA PHE 28 HA PHE 28 2.030 1.828 -2.063
217 HB2 PHE 28 HB2 PHE 28 2.026 4.558 -3.402
218 HB3 PHE 28 HB3 PHE 28 2.430 4.254 -1.713
219 HD1 PHE 28 HD1 PHE 28 4.304 2.529 -1.219
220 HD2 PHE 28 HD2 PHE 28 3.791 4.479 -5.029
221 HE1 PHE 28 HE1 PHE 28 6.658 2.038 -1.783
222 HE2 PHE 28 HE2 PHE 28 6.158 3.993 -5.589
223 HZ PHE 28 HZ PHE 28 7.605 2.782 -3.966
224 H GLU 29 H GLU 29 -0.725 2.561 -3.927
225 HA GLU 29 HA GLU 29 -2.311 3.909 -1.943
226 HB2 GLU 29 HB2 GLU 29 -2.913 4.108 -4.254
227 HB3 GLU 29 HB3 GLU 29 -2.946 2.365 -4.472
228 HG2 GLU 29 HG2 GLU 29 -5.178 3.274 -4.526
229 HG3 GLU 29 HG3 GLU 29 -4.986 2.163 -3.174
230 H ARG 30 H ARG 30 -4.024 3.068 -0.740
231 HA ARG 30 HA ARG 30 -3.829 0.239 0.086
232 HB2 ARG 30 HB2 ARG 30 -3.580 0.697 2.367
233 HB3 ARG 30 HB3 ARG 30 -2.342 1.591 1.527
234 HG2 ARG 30 HG2 ARG 30 -4.891 2.818 2.673
235 HG3 ARG 30 HG3 ARG 30 -3.349 2.675 3.498
236 HD2 ARG 30 HD2 ARG 30 -3.160 4.833 2.795
237 HD3 ARG 30 HD3 ARG 30 -2.351 4.001 1.470
238 HE ARG 30 HE ARG 30 -4.060 4.743 0.014
239 HH11 ARG 30 HH11 ARG 30 -5.302 5.274 3.236
240 HH12 ARG 30 HH12 ARG 30 -6.895 5.679 2.597
241 HH21 ARG 30 HH21 ARG 30 -5.808 5.339 -0.695
242 HH22 ARG 30 HH22 ARG 30 -7.121 6.044 0.297
243 HA PRO 31 HA PRO 31 -8.026 -0.122 -0.060
244 HB2 PRO 31 HB2 PRO 31 -8.347 -1.009 2.788
245 HB3 PRO 31 HB3 PRO 31 -8.892 -1.816 1.288
246 HG2 PRO 31 HG2 PRO 31 -6.664 -2.652 2.607
247 HG3 PRO 31 HG3 PRO 31 -6.702 -2.592 0.820
248 HD2 PRO 31 HD2 PRO 31 -5.466 -0.623 2.738
249 HD3 PRO 31 HD3 PRO 31 -4.836 -1.253 1.189
250 H SER 32 H SER 32 -7.532 1.175 2.936
251 HA SER 32 HA SER 32 -10.105 2.241 3.552
252 HB2 SER 32 HB2 SER 32 -9.085 3.223 5.521
253 HB3 SER 32 HB3 SER 32 -8.416 1.601 5.245
254 HG SER 32 HG SER 32 -7.303 4.031 4.359
255 H GLY 33 H GLY 33 -10.614 3.439 1.569
256 HA2 GLY 33 HA2 GLY 33 -11.460 5.598 1.043
257 HA3 GLY 33 HA3 GLY 33 -10.184 6.354 2.012
258 H1 NAG 101 H1 NAG 34 11.404 1.216 -0.331
259 H2 NAG 101 H2 NAG 34 12.549 3.628 -1.826
260 H3 NAG 101 H3 NAG 34 9.966 1.982 -1.973
261 H4 NAG 101 H4 NAG 34 12.249 2.471 -3.927
262 H5 NAG 101 H5 NAG 34 11.375 -0.051 -2.475
263 H61 NAG 101 H61 NAG 34 13.233 -1.198 -3.369
264 H62 NAG 101 H62 NAG 34 12.554 -0.351 -4.763
265 H81 NAG 101 H2M NAG 34 10.853 5.940 1.403
266 H82 NAG 101 H3M NAG 34 9.227 5.841 0.689
267 H83 NAG 101 H1M NAG 34 10.313 7.177 0.247
268 HN2 NAG 101 H2N NAG 34 10.810 3.619 0.508
269 HO3 NAG 101 H3O NAG 34 10.385 4.578 -2.713
270 HO4 NAG 101 H4O NAG 34 9.995 2.196 -4.589
271 HO6 NAG 101 H6O NAG 34 14.569 0.753 -3.076
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -8.372 4.210 -2.671
2 H2 LYS 1 H2 LYS 1 -7.174 3.933 -3.769
3 H3 LYS 1 H3 LYS 1 -7.168 3.148 -2.344
4 HA LYS 1 HA LYS 1 -9.160 1.964 -2.867
5 HB2 LYS 1 HB2 LYS 1 -10.481 2.272 -4.648
6 HB3 LYS 1 HB3 LYS 1 -9.992 3.929 -4.381
7 HG2 LYS 1 HG2 LYS 1 -8.769 2.074 -6.500
8 HG3 LYS 1 HG3 LYS 1 -10.144 3.094 -6.775
9 HD2 LYS 1 HD2 LYS 1 -8.962 4.933 -7.119
10 HD3 LYS 1 HD3 LYS 1 -7.898 4.694 -5.753
11 HE2 LYS 1 HE2 LYS 1 -7.597 2.979 -8.246
12 HE3 LYS 1 HE3 LYS 1 -6.962 4.633 -8.231
13 HZ1 LYS 1 HZ1 LYS 1 -5.322 2.836 -7.461
14 HZ2 LYS 1 HZ2 LYS 1 -5.518 4.146 -6.477
15 HZ3 LYS 1 HZ3 LYS 1 -6.229 2.723 -6.106
16 H LEU 2 H LEU 2 -9.096 -0.130 -3.741
17 HA LEU 2 HA LEU 2 -7.520 -0.820 -5.958
18 HB2 LEU 2 HB2 LEU 2 -6.034 -2.474 -4.858
19 HB3 LEU 2 HB3 LEU 2 -5.620 -0.806 -4.598
20 HG LEU 2 HG LEU 2 -6.622 -0.979 -2.245
21 HD11 LEU 2 HD11 LEU 2 -6.853 -3.893 -3.075
22 HD12 LEU 2 HD12 LEU 2 -6.568 -3.440 -1.397
23 HD13 LEU 2 HD13 LEU 2 -8.032 -2.890 -2.215
24 HD21 LEU 2 HD21 LEU 2 -4.695 -1.998 -1.387
25 HD22 LEU 2 HD22 LEU 2 -4.349 -2.828 -2.918
26 HD23 LEU 2 HD23 LEU 2 -4.231 -1.053 -2.797
27 HA PRO 3 HA PRO 3 -10.622 -4.036 -5.508
28 HB2 PRO 3 HB2 PRO 3 -10.101 -5.635 -7.633
29 HB3 PRO 3 HB3 PRO 3 -10.564 -3.920 -7.850
30 HG2 PRO 3 HG2 PRO 3 -7.801 -5.137 -7.859
31 HG3 PRO 3 HG3 PRO 3 -8.500 -4.000 -9.050
32 HD2 PRO 3 HD2 PRO 3 -6.901 -3.200 -6.926
33 HD3 PRO 3 HD3 PRO 3 -8.171 -2.170 -7.650
34 HA PRO 4 HA PRO 4 -9.243 -7.758 -3.370
35 HB2 PRO 4 HB2 PRO 4 -10.637 -9.284 -5.582
36 HB3 PRO 4 HB3 PRO 4 -10.663 -9.593 -3.815
37 HG2 PRO 4 HG2 PRO 4 -12.728 -8.296 -4.976
38 HG3 PRO 4 HG3 PRO 4 -12.053 -7.675 -3.433
39 HD2 PRO 4 HD2 PRO 4 -11.547 -6.689 -6.242
40 HD3 PRO 4 HD3 PRO 4 -11.839 -5.746 -4.750
41 H GLY 5 H GLY 5 -7.479 -9.084 -3.356
42 HA2 GLY 5 HA2 GLY 5 -5.887 -10.572 -4.288
43 HA3 GLY 5 HA3 GLY 5 -6.161 -9.882 -5.889
44 H TRP 6 H TRP 6 -5.906 -7.059 -4.354
45 HA TRP 6 HA TRP 6 -2.968 -6.885 -4.438
46 HB2 TRP 6 HB2 TRP 6 -5.159 -4.817 -4.154
47 HB3 TRP 6 HB3 TRP 6 -3.438 -4.493 -4.241
48 HD1 TRP 6 HD1 TRP 6 -6.170 -6.125 -6.438
49 HE1 TRP 6 HE1 TRP 6 -5.748 -5.520 -8.899
50 HE3 TRP 6 HE3 TRP 6 -1.767 -3.531 -5.921
51 HZ2 TRP 6 HZ2 TRP 6 -3.785 -4.126 -10.444
52 HZ3 TRP 6 HZ3 TRP 6 -0.677 -2.564 -7.932
53 HH2 TRP 6 HH2 TRP 6 -1.661 -2.842 -10.172
54 H GLU 7 H GLU 7 -1.905 -7.346 -2.580
55 HA GLU 7 HA GLU 7 -3.346 -7.157 0.015
56 HB2 GLU 7 HB2 GLU 7 -2.697 -9.350 -1.317
57 HB3 GLU 7 HB3 GLU 7 -1.080 -9.039 -0.723
58 HG2 GLU 7 HG2 GLU 7 -3.607 -9.478 0.930
59 HG3 GLU 7 HG3 GLU 7 -2.337 -10.670 0.636
60 H LYS 8 H LYS 8 -2.156 -6.461 1.878
61 HA LYS 8 HA LYS 8 -0.428 -4.239 1.157
62 HB2 LYS 8 HB2 LYS 8 -0.705 -3.289 3.136
63 HB3 LYS 8 HB3 LYS 8 -2.205 -4.177 3.009
64 HG2 LYS 8 HG2 LYS 8 0.151 -5.174 4.671
65 HG3 LYS 8 HG3 LYS 8 -0.998 -4.009 5.261
66 HD2 LYS 8 HD2 LYS 8 -2.551 -5.504 5.737
67 HD3 LYS 8 HD3 LYS 8 -2.474 -6.265 4.161
68 HE2 LYS 8 HE2 LYS 8 -0.461 -6.781 6.401
69 HE3 LYS 8 HE3 LYS 8 -1.923 -7.751 6.138
70 HZ1 LYS 8 HZ1 LYS 8 0.218 -7.405 4.102
71 HZ2 LYS 8 HZ2 LYS 8 -0.043 -8.775 5.009
72 HZ3 LYS 8 HZ3 LYS 8 -1.145 -8.237 3.902
73 H ARG 9 H ARG 9 1.679 -4.022 1.119
74 HA ARG 9 HA ARG 9 3.438 -6.221 2.058
75 HB2 ARG 9 HB2 ARG 9 2.477 -5.996 -0.440
76 HB3 ARG 9 HB3 ARG 9 3.584 -4.651 -0.532
77 HG2 ARG 9 HG2 ARG 9 4.774 -6.278 -1.445
78 HG3 ARG 9 HG3 ARG 9 5.396 -6.435 0.193
79 HD2 ARG 9 HD2 ARG 9 3.354 -8.181 -1.276
80 HD3 ARG 9 HD3 ARG 9 4.993 -8.620 -0.847
81 HE ARG 9 HE ARG 9 4.360 -8.991 1.384
82 HH11 ARG 9 HH22 ARG 9 1.379 -7.826 -0.314
83 HH12 ARG 9 HH21 ARG 9 0.463 -8.759 0.874
84 HH21 ARG 9 HH11 ARG 9 2.804 -10.063 2.733
85 HH22 ARG 9 HH12 ARG 9 1.101 -9.752 2.313
86 H MET 10 H MET 10 5.850 -5.441 1.854
87 HA MET 10 HA MET 10 6.243 -2.581 2.036
88 HB2 MET 10 HB2 MET 10 7.185 -2.510 4.230
89 HB3 MET 10 HB3 MET 10 5.541 -3.134 4.343
90 HG2 MET 10 HG2 MET 10 6.434 -5.445 4.511
91 HG3 MET 10 HG3 MET 10 8.080 -4.807 4.475
92 HE1 MET 10 HE1 MET 10 9.220 -3.445 6.327
93 HE2 MET 10 HE2 MET 10 7.959 -2.188 6.365
94 HE3 MET 10 HE3 MET 10 8.466 -2.980 7.869
95 H PHE 11 H PHE 11 8.240 -1.926 1.571
96 HA PHE 11 HA PHE 11 10.197 -3.822 0.494
97 HB2 PHE 11 HB2 PHE 11 10.029 -0.821 0.734
98 HB3 PHE 11 HB3 PHE 11 11.428 -1.644 0.065
99 HD1 PHE 11 HD1 PHE 11 10.981 -3.395 -1.830
100 HD2 PHE 11 HD2 PHE 11 8.239 -0.190 -0.811
101 HE1 PHE 11 HE1 PHE 11 10.006 -3.495 -4.104
102 HE2 PHE 11 HE2 PHE 11 7.317 -0.305 -3.110
103 HZ PHE 11 HZ PHE 11 8.199 -1.923 -4.747
104 H ALA 12 H ALA 12 12.432 -3.930 1.218
105 HA ALA 12 HA ALA 12 12.775 -4.231 3.986
106 HB1 ALA 12 HB1 ALA 12 14.017 -5.457 2.244
107 HB2 ALA 12 HB2 ALA 12 14.858 -3.958 1.775
108 HB3 ALA 12 HB3 ALA 12 15.122 -4.666 3.382
109 H ASN 13 H ASN 13 12.985 -1.272 2.213
110 HA ASN 13 HA ASN 13 14.613 0.120 4.239
111 HB2 ASN 13 HB2 ASN 13 14.253 2.081 2.786
112 HB3 ASN 13 HB3 ASN 13 14.904 0.714 1.886
113 HD21 ASN 13 HD21 ASN 13 14.069 1.978 -0.034
114 H GLY 14 H GLY 14 11.454 -1.020 4.252
115 HA2 GLY 14 HA2 GLY 14 9.934 -0.602 5.970
116 HA3 GLY 14 HA3 GLY 14 10.596 1.013 6.224
117 H THR 15 H THR 15 9.875 0.198 2.849
118 HA THR 15 HA THR 15 7.860 2.374 2.944
119 HB THR 15 HB THR 15 9.194 1.104 0.558
120 HG1 THR 15 HG1 THR 15 10.707 2.003 1.728
121 HG21 THR 15 HG21 THR 15 7.062 2.373 0.066
122 HG22 THR 15 HG22 THR 15 7.831 3.806 0.779
123 HG23 THR 15 HG23 THR 15 8.527 3.042 -0.673
124 H VAL 16 H VAL 16 5.739 1.917 2.994
125 HA VAL 16 HA VAL 16 4.870 -0.847 2.452
126 HB VAL 16 HB VAL 16 3.756 1.510 3.973
127 HG11 VAL 16 HG11 VAL 16 2.125 -0.955 3.203
128 HG12 VAL 16 HG12 VAL 16 1.691 0.218 4.464
129 HG13 VAL 16 HG13 VAL 16 1.755 0.737 2.781
130 HG21 VAL 16 HG21 VAL 16 3.698 -0.124 5.783
131 HG22 VAL 16 HG22 VAL 16 4.066 -1.444 4.653
132 HG23 VAL 16 HG23 VAL 16 5.295 -0.204 5.019
133 H TYR 17 H TYR 17 3.364 -1.461 1.051
134 HA TYR 17 HA TYR 17 1.997 0.359 -0.769
135 HB2 TYR 17 HB2 TYR 17 3.061 -0.517 -2.780
136 HB3 TYR 17 HB3 TYR 17 4.287 0.181 -1.741
137 HD1 TYR 17 HD1 TYR 17 5.802 -1.218 -0.398
138 HD2 TYR 17 HD2 TYR 17 3.211 -2.904 -3.396
139 HE1 TYR 17 HE1 TYR 17 7.318 -3.149 -0.606
140 HE2 TYR 17 HE2 TYR 17 4.774 -4.834 -3.644
141 HH TYR 17 HH TYR 17 7.856 -4.988 -1.880
142 H TYR 18 H TYR 18 0.771 -1.159 -2.432
143 HA TYR 18 HA TYR 18 0.055 -3.760 -1.151
144 HB2 TYR 18 HB2 TYR 18 -1.597 -1.846 -2.826
145 HB3 TYR 18 HB3 TYR 18 -2.092 -3.485 -2.382
146 HD1 TYR 18 HD1 TYR 18 -0.887 -0.257 -0.839
147 HD2 TYR 18 HD2 TYR 18 -3.239 -3.845 -0.337
148 HE1 TYR 18 HE1 TYR 18 -1.246 0.311 1.460
149 HE2 TYR 18 HE2 TYR 18 -4.001 -3.014 1.854
150 HH TYR 18 HH TYR 18 -3.604 -1.460 3.551
151 H PHE 19 H PHE 19 0.059 -5.577 -2.294
152 HA PHE 19 HA PHE 19 1.347 -5.505 -4.989
153 HB2 PHE 19 HB2 PHE 19 2.837 -6.034 -3.112
154 HB3 PHE 19 HB3 PHE 19 1.748 -7.297 -2.572
155 HD1 PHE 19 HD1 PHE 19 3.944 -6.248 -5.413
156 HD2 PHE 19 HD2 PHE 19 1.888 -9.518 -3.488
157 HE1 PHE 19 HE1 PHE 19 5.213 -7.838 -6.786
158 HE2 PHE 19 HE2 PHE 19 3.171 -11.131 -4.873
159 HZ PHE 19 HZ PHE 19 4.860 -10.306 -6.499
160 H ASN 20 H ASN 20 0.196 -6.439 -6.550
161 HA ASN 20 HA ASN 20 -2.119 -8.107 -6.009
162 HB2 ASN 20 HB2 ASN 20 -2.002 -6.468 -7.903
163 HB3 ASN 20 HB3 ASN 20 -0.744 -7.452 -8.628
164 HD21 ASN 20 HD22 ASN 20 -4.214 -7.276 -7.875
165 HD22 ASN 20 HD21 ASN 20 -4.608 -8.750 -8.755
166 H HIS 21 H HIS 21 -1.524 -10.056 -5.038
167 HA HIS 21 HA HIS 21 0.884 -11.433 -5.855
168 HB2 HIS 21 HB2 HIS 21 0.248 -13.114 -4.251
169 HB3 HIS 21 HB3 HIS 21 0.010 -11.511 -3.578
170 HD2 HIS 21 HD2 HIS 21 -2.124 -14.381 -5.137
171 HE1 HIS 21 HE1 HIS 21 -4.621 -12.149 -2.491
172 HE2 HIS 21 HE2 HIS 21 -4.508 -14.197 -4.020
173 H ILE 22 H ILE 22 -1.792 -11.177 -7.752
174 HA ILE 22 HA ILE 22 -1.668 -13.966 -8.775
175 HB ILE 22 HB ILE 22 -3.567 -11.702 -9.534
176 HG12 ILE 22 HG12 ILE 22 -5.231 -13.394 -8.330
177 HG13 ILE 22 HG13 ILE 22 -3.799 -13.892 -7.444
178 HG21 ILE 22 HG21 ILE 22 -3.607 -14.681 -10.170
179 HG22 ILE 22 HG22 ILE 22 -4.913 -13.533 -10.546
180 HG23 ILE 22 HG23 ILE 22 -3.351 -13.353 -11.324
181 HD11 ILE 22 HD11 ILE 22 -3.580 -11.587 -6.534
182 HD12 ILE 22 HD12 ILE 22 -4.889 -11.037 -7.605
183 HD13 ILE 22 HD13 ILE 22 -5.220 -12.186 -6.294
184 H THR 23 H THR 23 -0.604 -10.712 -9.438
185 HA THR 23 HA THR 23 0.441 -11.530 -12.140
186 HB THR 23 HB THR 23 0.064 -9.201 -12.845
187 HG1 THR 23 HG1 THR 23 -1.367 -8.947 -10.415
188 HG21 THR 23 HG21 THR 23 -2.504 -10.420 -11.735
189 HG22 THR 23 HG22 THR 23 -2.361 -9.210 -13.026
190 HG23 THR 23 HG23 THR 23 -1.739 -10.852 -13.278
191 H ASN 24 H ASN 24 1.238 -10.023 -9.090
192 HA ASN 24 HA ASN 24 3.089 -9.296 -8.187
193 HB2 ASN 24 HB2 ASN 24 4.649 -9.426 -10.785
194 HB3 ASN 24 HB3 ASN 24 5.276 -9.277 -9.156
195 HD21 ASN 24 HD22 ASN 24 3.808 -11.472 -11.466
196 HD22 ASN 24 HD21 ASN 24 4.315 -12.947 -10.610
197 H ALA 25 H ALA 25 1.101 -7.663 -10.184
198 HA ALA 25 HA ALA 25 2.545 -5.198 -10.566
199 HB1 ALA 25 HB1 ALA 25 0.314 -4.253 -10.913
200 HB2 ALA 25 HB2 ALA 25 0.447 -5.808 -11.757
201 HB3 ALA 25 HB3 ALA 25 -0.445 -5.702 -10.223
202 H SER 26 H SER 26 2.269 -3.147 -9.283
203 HA SER 26 HA SER 26 1.492 -3.566 -6.472
204 HB2 SER 26 HB2 SER 26 3.631 -2.756 -5.663
205 HB3 SER 26 HB3 SER 26 3.851 -4.197 -6.655
206 HG SER 26 HG SER 26 5.360 -2.592 -7.207
207 H GLN 27 H GLN 27 1.034 -1.726 -5.286
208 HA GLN 27 HA GLN 27 0.922 0.904 -6.682
209 HB2 GLN 27 HB2 GLN 27 -1.219 -0.344 -7.099
210 HB3 GLN 27 HB3 GLN 27 -1.446 -0.501 -5.352
211 HG2 GLN 27 HG2 GLN 27 -1.401 2.045 -5.242
212 HG3 GLN 27 HG3 GLN 27 -1.415 2.064 -7.002
213 HE21 GLN 27 HE22 GLN 27 -3.304 1.283 -4.054
214 HE22 GLN 27 HE21 GLN 27 -4.862 1.272 -4.898
215 H PHE 28 H PHE 28 1.906 2.361 -5.276
216 HA PHE 28 HA PHE 28 2.266 1.864 -2.472
217 HB2 PHE 28 HB2 PHE 28 2.475 4.388 -4.155
218 HB3 PHE 28 HB3 PHE 28 2.884 4.315 -2.446
219 HD1 PHE 28 HD2 PHE 28 4.605 2.571 -1.663
220 HD2 PHE 28 HD1 PHE 28 4.176 3.829 -5.768
221 HE1 PHE 28 HE2 PHE 28 6.893 1.764 -2.154
222 HE2 PHE 28 HE1 PHE 28 6.474 3.034 -6.248
223 HZ PHE 28 HZ PHE 28 7.841 2.007 -4.442
224 H GLU 29 H GLU 29 -0.236 3.623 -4.255
225 HA GLU 29 HA GLU 29 -1.561 4.869 -2.074
226 HB2 GLU 29 HB2 GLU 29 -1.768 5.289 -4.585
227 HB3 GLU 29 HB3 GLU 29 -2.720 3.815 -4.667
228 HG2 GLU 29 HG2 GLU 29 -4.090 5.166 -2.712
229 HG3 GLU 29 HG3 GLU 29 -3.446 6.520 -3.642
230 H ARG 30 H ARG 30 -3.264 4.201 -0.779
231 HA ARG 30 HA ARG 30 -3.477 1.288 -0.410
232 HB2 ARG 30 HB2 ARG 30 -4.131 3.282 1.745
233 HB3 ARG 30 HB3 ARG 30 -3.575 1.604 1.839
234 HG2 ARG 30 HG2 ARG 30 -1.344 2.486 0.833
235 HG3 ARG 30 HG3 ARG 30 -1.934 4.078 1.308
236 HD2 ARG 30 HD2 ARG 30 -1.418 1.683 3.137
237 HD3 ARG 30 HD3 ARG 30 -0.472 3.158 3.029
238 HE ARG 30 HE ARG 30 -2.120 4.344 4.217
239 HH11 ARG 30 HH21 ARG 30 -3.203 0.946 3.895
240 HH12 ARG 30 HH22 ARG 30 -4.661 1.304 4.794
241 HH21 ARG 30 HH12 ARG 30 -3.877 4.536 5.652
242 HH22 ARG 30 HH11 ARG 30 -4.846 3.085 5.923
243 HA PRO 31 HA PRO 31 -7.636 0.700 -1.215
244 HB2 PRO 31 HB2 PRO 31 -8.383 -0.027 1.596
245 HB3 PRO 31 HB3 PRO 31 -8.641 -0.957 0.092
246 HG2 PRO 31 HG2 PRO 31 -6.656 -1.564 1.888
247 HG3 PRO 31 HG3 PRO 31 -6.441 -1.776 0.132
248 HD2 PRO 31 HD2 PRO 31 -5.395 0.383 1.909
249 HD3 PRO 31 HD3 PRO 31 -4.660 -0.351 0.447
250 H SER 32 H SER 32 -7.336 2.253 1.627
251 HA SER 32 HA SER 32 -8.198 4.715 1.813
252 HB2 SER 32 HB2 SER 32 -10.863 3.252 1.798
253 HB3 SER 32 HB3 SER 32 -10.611 4.951 2.246
254 HG SER 32 HG SER 32 -10.005 3.726 -0.228
255 H GLY 33 H GLY 33 -8.440 1.595 3.299
256 HA2 GLY 33 HA2 GLY 33 -8.432 2.760 6.041
257 HA3 GLY 33 HA3 GLY 33 -8.829 1.080 5.629
258 H1 NAG 101 H1 NAG 34 11.355 0.890 -0.559
259 H2 NAG 101 H2 NAG 34 12.678 3.105 -2.206
260 H3 NAG 101 H3 NAG 34 10.016 1.584 -2.285
261 H4 NAG 101 H4 NAG 34 12.360 1.818 -4.215
262 H5 NAG 101 H5 NAG 34 11.339 -0.548 -2.608
263 H61 NAG 101 H61 NAG 34 13.209 -1.815 -3.337
264 H62 NAG 101 H62 NAG 34 12.564 -1.085 -4.810
265 H81 NAG 101 H2M NAG 34 11.003 5.746 0.777
266 H82 NAG 101 H3M NAG 34 9.420 5.754 -0.034
267 H83 NAG 101 H1M NAG 34 10.659 6.944 -0.489
268 HN2 NAG 101 H2N NAG 34 10.888 3.398 0.069
269 HO3 NAG 101 H3O NAG 34 10.580 4.091 -3.227
270 HO4 NAG 101 H4O NAG 34 10.123 1.602 -4.918
271 HO6 NAG 101 H6O NAG 34 14.595 0.101 -3.197
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -12.591 -0.760 -1.235
2 H2 LYS 1 H2 LYS 1 -11.308 -1.441 -0.615
3 H3 LYS 1 H3 LYS 1 -12.023 -2.145 -1.953
4 HA LYS 1 HA LYS 1 -11.511 -0.056 -3.194
5 HB2 LYS 1 HB2 LYS 1 -11.137 1.311 -1.153
6 HB3 LYS 1 HB3 LYS 1 -9.646 0.413 -0.839
7 HG2 LYS 1 HG2 LYS 1 -8.752 1.217 -3.064
8 HG3 LYS 1 HG3 LYS 1 -10.244 2.162 -3.277
9 HD2 LYS 1 HD2 LYS 1 -9.739 3.364 -1.153
10 HD3 LYS 1 HD3 LYS 1 -8.246 2.421 -0.996
11 HE2 LYS 1 HE2 LYS 1 -7.483 3.388 -3.193
12 HE3 LYS 1 HE3 LYS 1 -8.899 4.457 -3.154
13 HZ1 LYS 1 HZ1 LYS 1 -8.064 5.285 -0.973
14 HZ2 LYS 1 HZ2 LYS 1 -6.770 4.303 -1.089
15 HZ3 LYS 1 HZ3 LYS 1 -6.887 5.511 -2.156
16 H LEU 2 H LEU 2 -8.968 -1.874 -1.271
17 HA LEU 2 HA LEU 2 -7.303 -2.415 -3.496
18 HB2 LEU 2 HB2 LEU 2 -7.836 -3.932 -0.923
19 HB3 LEU 2 HB3 LEU 2 -6.612 -4.396 -2.082
20 HG LEU 2 HG LEU 2 -6.644 -1.805 -0.491
21 HD11 LEU 2 HD11 LEU 2 -4.804 -4.231 -0.401
22 HD12 LEU 2 HD12 LEU 2 -4.700 -2.777 0.619
23 HD13 LEU 2 HD13 LEU 2 -6.084 -3.866 0.771
24 HD21 LEU 2 HD21 LEU 2 -4.587 -2.800 -2.507
25 HD22 LEU 2 HD22 LEU 2 -5.586 -1.337 -2.655
26 HD23 LEU 2 HD23 LEU 2 -4.361 -1.437 -1.393
27 HA PRO 3 HA PRO 3 -10.209 -5.186 -5.604
28 HB2 PRO 3 HB2 PRO 3 -7.908 -5.716 -7.444
29 HB3 PRO 3 HB3 PRO 3 -9.560 -5.174 -7.829
30 HG2 PRO 3 HG2 PRO 3 -7.436 -3.461 -7.930
31 HG3 PRO 3 HG3 PRO 3 -9.058 -2.936 -7.375
32 HD2 PRO 3 HD2 PRO 3 -6.649 -3.648 -5.701
33 HD3 PRO 3 HD3 PRO 3 -7.818 -2.315 -5.524
34 HA PRO 4 HA PRO 4 -9.301 -9.448 -4.572
35 HB2 PRO 4 HB2 PRO 4 -9.196 -10.078 -7.531
36 HB3 PRO 4 HB3 PRO 4 -9.988 -10.999 -6.212
37 HG2 PRO 4 HG2 PRO 4 -11.468 -9.371 -7.778
38 HG3 PRO 4 HG3 PRO 4 -11.711 -9.342 -5.999
39 HD2 PRO 4 HD2 PRO 4 -10.124 -7.429 -7.715
40 HD3 PRO 4 HD3 PRO 4 -11.253 -7.065 -6.373
41 H GLY 5 H GLY 5 -7.481 -10.385 -3.878
42 HA2 GLY 5 HA2 GLY 5 -5.391 -11.302 -3.850
43 HA3 GLY 5 HA3 GLY 5 -5.216 -10.925 -5.564
44 H TRP 6 H TRP 6 -5.926 -7.970 -3.945
45 HA TRP 6 HA TRP 6 -3.098 -7.217 -3.944
46 HB2 TRP 6 HB2 TRP 6 -5.682 -5.717 -3.585
47 HB3 TRP 6 HB3 TRP 6 -4.106 -4.994 -3.329
48 HD1 TRP 6 HD1 TRP 6 -6.212 -6.533 -6.131
49 HE1 TRP 6 HE1 TRP 6 -5.492 -5.528 -8.389
50 HE3 TRP 6 HE3 TRP 6 -2.049 -4.009 -4.592
51 HZ2 TRP 6 HZ2 TRP 6 -3.392 -3.840 -9.388
52 HZ3 TRP 6 HZ3 TRP 6 -0.662 -2.786 -6.240
53 HH2 TRP 6 HH2 TRP 6 -1.327 -2.662 -8.621
54 H GLU 7 H GLU 7 -1.837 -7.117 -2.204
55 HA GLU 7 HA GLU 7 -2.983 -7.287 0.547
56 HB2 GLU 7 HB2 GLU 7 -0.857 -8.527 1.073
57 HB3 GLU 7 HB3 GLU 7 -1.970 -9.404 0.024
58 HG2 GLU 7 HG2 GLU 7 -0.633 -9.160 -1.876
59 HG3 GLU 7 HG3 GLU 7 0.184 -7.723 -1.259
60 H LYS 8 H LYS 8 -1.632 -6.374 2.240
61 HA LYS 8 HA LYS 8 -0.203 -3.889 1.549
62 HB2 LYS 8 HB2 LYS 8 -1.803 -4.061 3.456
63 HB3 LYS 8 HB3 LYS 8 -0.771 -5.253 4.227
64 HG2 LYS 8 HG2 LYS 8 0.038 -2.366 3.628
65 HG3 LYS 8 HG3 LYS 8 -0.634 -2.944 5.151
66 HD2 LYS 8 HD2 LYS 8 1.406 -4.592 5.200
67 HD3 LYS 8 HD3 LYS 8 2.081 -3.537 3.952
68 HE2 LYS 8 HE2 LYS 8 2.989 -2.752 5.957
69 HE3 LYS 8 HE3 LYS 8 1.753 -1.578 5.491
70 HZ1 LYS 8 HZ1 LYS 8 1.617 -2.130 7.841
71 HZ2 LYS 8 HZ2 LYS 8 0.256 -2.663 7.084
72 HZ3 LYS 8 HZ3 LYS 8 1.434 -3.728 7.507
73 H ARG 9 H ARG 9 1.940 -3.925 1.024
74 HA ARG 9 HA ARG 9 3.663 -6.137 1.990
75 HB2 ARG 9 HB2 ARG 9 2.758 -6.303 -0.343
76 HB3 ARG 9 HB3 ARG 9 3.427 -4.717 -0.701
77 HG2 ARG 9 HG2 ARG 9 4.783 -6.342 -1.676
78 HG3 ARG 9 HG3 ARG 9 5.713 -5.631 -0.374
79 HD2 ARG 9 HD2 ARG 9 6.216 -7.907 -0.196
80 HD3 ARG 9 HD3 ARG 9 5.033 -7.638 1.073
81 HE ARG 9 HE ARG 9 3.408 -8.889 -0.113
82 HH11 ARG 9 HH11 ARG 9 6.155 -8.440 -2.239
83 HH12 ARG 9 HH12 ARG 9 5.670 -9.742 -3.299
84 HH21 ARG 9 HH21 ARG 9 2.847 -10.564 -1.470
85 HH22 ARG 9 HH22 ARG 9 3.899 -10.985 -2.797
86 H MET 10 H MET 10 6.101 -5.442 1.684
87 HA MET 10 HA MET 10 6.586 -2.590 1.912
88 HB2 MET 10 HB2 MET 10 7.587 -2.663 4.129
89 HB3 MET 10 HB3 MET 10 5.892 -3.138 4.198
90 HG2 MET 10 HG2 MET 10 6.615 -5.546 4.239
91 HG3 MET 10 HG3 MET 10 8.291 -4.991 4.341
92 HE1 MET 10 HE1 MET 10 8.700 -6.411 6.498
93 HE2 MET 10 HE2 MET 10 7.643 -6.374 7.928
94 HE3 MET 10 HE3 MET 10 7.030 -7.020 6.388
95 H PHE 11 H PHE 11 8.571 -1.975 1.454
96 HA PHE 11 HA PHE 11 10.570 -3.803 0.357
97 HB2 PHE 11 HB2 PHE 11 10.460 -0.795 0.807
98 HB3 PHE 11 HB3 PHE 11 11.783 -1.654 0.041
99 HD1 PHE 11 HD1 PHE 11 11.332 -3.069 -2.053
100 HD2 PHE 11 HD2 PHE 11 8.646 -0.001 -0.598
101 HE1 PHE 11 HE1 PHE 11 10.300 -2.905 -4.296
102 HE2 PHE 11 HE2 PHE 11 7.673 0.175 -2.877
103 HZ PHE 11 HZ PHE 11 8.484 -1.262 -4.709
104 H ALA 12 H ALA 12 12.372 -4.540 1.473
105 HA ALA 12 HA ALA 12 12.450 -4.493 4.273
106 HB1 ALA 12 HB1 ALA 12 13.403 -6.262 2.847
107 HB2 ALA 12 HB2 ALA 12 14.659 -5.138 2.270
108 HB3 ALA 12 HB3 ALA 12 14.616 -5.631 3.976
109 H ASN 13 H ASN 13 14.022 -2.244 2.004
110 HA ASN 13 HA ASN 13 15.607 -0.890 4.010
111 HB2 ASN 13 HB2 ASN 13 15.920 0.762 2.139
112 HB3 ASN 13 HB3 ASN 13 16.406 -0.885 1.769
113 HD21 ASN 13 HD21 ASN 13 14.819 1.754 0.482
114 H GLY 14 H GLY 14 12.330 -1.101 3.957
115 HA2 GLY 14 HA2 GLY 14 11.049 -0.062 5.552
116 HA3 GLY 14 HA3 GLY 14 12.158 1.305 5.615
117 H THR 15 H THR 15 9.828 -0.192 3.180
118 HA THR 15 HA THR 15 8.327 2.326 3.279
119 HB THR 15 HB THR 15 9.714 1.498 0.716
120 HG1 THR 15 HG1 THR 15 10.331 3.112 2.670
121 HG21 THR 15 HG21 THR 15 7.659 3.708 1.156
122 HG22 THR 15 HG22 THR 15 8.622 3.449 -0.310
123 HG23 THR 15 HG23 THR 15 7.399 2.249 0.163
124 H VAL 16 H VAL 16 6.169 1.963 3.049
125 HA VAL 16 HA VAL 16 5.348 -0.836 2.515
126 HB VAL 16 HB VAL 16 4.192 1.499 4.034
127 HG11 VAL 16 HG11 VAL 16 2.240 0.824 2.700
128 HG12 VAL 16 HG12 VAL 16 2.517 -0.883 3.114
129 HG13 VAL 16 HG13 VAL 16 2.059 0.299 4.365
130 HG21 VAL 16 HG21 VAL 16 4.388 -1.486 4.614
131 HG22 VAL 16 HG22 VAL 16 5.614 -0.291 5.103
132 HG23 VAL 16 HG23 VAL 16 3.977 -0.200 5.776
133 H TYR 17 H TYR 17 3.880 -1.424 1.026
134 HA TYR 17 HA TYR 17 2.552 0.520 -0.697
135 HB2 TYR 17 HB2 TYR 17 3.488 -0.367 -2.767
136 HB3 TYR 17 HB3 TYR 17 4.762 0.276 -1.760
137 HD1 TYR 17 HD1 TYR 17 6.295 -1.171 -0.550
138 HD2 TYR 17 HD2 TYR 17 3.484 -2.777 -3.403
139 HE1 TYR 17 HE1 TYR 17 7.752 -3.146 -0.870
140 HE2 TYR 17 HE2 TYR 17 4.957 -4.737 -3.738
141 HH TYR 17 HH TYR 17 8.148 -4.998 -2.192
142 H TYR 18 H TYR 18 1.357 -0.952 -2.476
143 HA TYR 18 HA TYR 18 0.262 -3.341 -1.108
144 HB2 TYR 18 HB2 TYR 18 -1.217 -1.291 -2.782
145 HB3 TYR 18 HB3 TYR 18 -1.914 -2.763 -2.092
146 HD1 TYR 18 HD1 TYR 18 -2.361 -2.945 0.310
147 HD2 TYR 18 HD2 TYR 18 -0.436 0.558 -1.309
148 HE1 TYR 18 HE1 TYR 18 -2.481 -1.866 2.520
149 HE2 TYR 18 HE2 TYR 18 -0.424 1.603 0.911
150 HH TYR 18 HH TYR 18 -1.878 -0.032 3.782
151 H PHE 19 H PHE 19 0.231 -5.182 -2.218
152 HA PHE 19 HA PHE 19 1.338 -5.184 -5.006
153 HB2 PHE 19 HB2 PHE 19 2.957 -5.724 -3.227
154 HB3 PHE 19 HB3 PHE 19 1.899 -6.971 -2.607
155 HD1 PHE 19 HD1 PHE 19 4.133 -6.019 -5.407
156 HD2 PHE 19 HD2 PHE 19 1.722 -9.168 -3.699
157 HE1 PHE 19 HE1 PHE 19 5.338 -7.667 -6.767
158 HE2 PHE 19 HE2 PHE 19 2.936 -10.829 -5.093
159 HZ PHE 19 HZ PHE 19 4.769 -10.102 -6.590
160 H ASN 20 H ASN 20 0.443 -6.618 -6.478
161 HA ASN 20 HA ASN 20 -1.940 -8.144 -5.577
162 HB2 ASN 20 HB2 ASN 20 -2.161 -6.546 -7.465
163 HB3 ASN 20 HB3 ASN 20 -0.982 -7.484 -8.367
164 HD21 ASN 20 HD22 ASN 20 -4.238 -7.539 -6.940
165 HD22 ASN 20 HD21 ASN 20 -4.805 -8.963 -7.752
166 H HIS 21 H HIS 21 -1.381 -10.138 -4.807
167 HA HIS 21 HA HIS 21 0.948 -11.503 -5.834
168 HB2 HIS 21 HB2 HIS 21 0.686 -13.039 -4.174
169 HB3 HIS 21 HB3 HIS 21 0.016 -11.590 -3.461
170 HD2 HIS 21 HD2 HIS 21 -2.981 -12.017 -4.905
171 HE1 HIS 21 HE1 HIS 21 -3.053 -15.477 -2.419
172 HE2 HIS 21 HE2 HIS 21 -4.486 -13.875 -3.790
173 H ILE 22 H ILE 22 -1.942 -11.224 -7.450
174 HA ILE 22 HA ILE 22 -1.817 -13.939 -8.651
175 HB ILE 22 HB ILE 22 -3.659 -11.654 -9.420
176 HG12 ILE 22 HG12 ILE 22 -4.071 -11.977 -7.062
177 HG13 ILE 22 HG13 ILE 22 -5.422 -12.526 -8.024
178 HG21 ILE 22 HG21 ILE 22 -5.149 -13.524 -10.176
179 HG22 ILE 22 HG22 ILE 22 -3.638 -13.401 -11.071
180 HG23 ILE 22 HG23 ILE 22 -3.823 -14.659 -9.838
181 HD11 ILE 22 HD11 ILE 22 -3.350 -14.352 -6.726
182 HD12 ILE 22 HD12 ILE 22 -4.996 -14.030 -6.140
183 HD13 ILE 22 HD13 ILE 22 -4.761 -14.886 -7.670
184 H THR 23 H THR 23 -0.775 -10.641 -9.218
185 HA THR 23 HA THR 23 0.063 -11.315 -12.031
186 HB THR 23 HB THR 23 -0.496 -8.984 -12.617
187 HG1 THR 23 HG1 THR 23 -1.730 -8.883 -10.071
188 HG21 THR 23 HG21 THR 23 -2.903 -10.355 -11.344
189 HG22 THR 23 HG22 THR 23 -2.912 -9.109 -12.607
190 HG23 THR 23 HG23 THR 23 -2.243 -10.715 -12.953
191 H ASN 24 H ASN 24 1.211 -10.089 -9.003
192 HA ASN 24 HA ASN 24 3.083 -9.140 -8.341
193 HB2 ASN 24 HB2 ASN 24 4.087 -10.756 -10.125
194 HB3 ASN 24 HB3 ASN 24 4.348 -9.303 -11.085
195 HD21 ASN 24 HD22 ASN 24 5.465 -7.462 -9.612
196 HD22 ASN 24 HD21 ASN 24 6.939 -8.104 -8.850
197 H ALA 25 H ALA 25 0.782 -7.593 -9.992
198 HA ALA 25 HA ALA 25 2.091 -5.096 -10.614
199 HB1 ALA 25 HB1 ALA 25 -0.782 -5.634 -9.742
200 HB2 ALA 25 HB2 ALA 25 -0.175 -4.178 -10.552
201 HB3 ALA 25 HB3 ALA 25 -0.178 -5.730 -11.411
202 H SER 26 H SER 26 2.016 -3.082 -9.312
203 HA SER 26 HA SER 26 1.626 -3.373 -6.409
204 HB2 SER 26 HB2 SER 26 3.865 -2.510 -5.906
205 HB3 SER 26 HB3 SER 26 3.965 -4.055 -6.739
206 HG SER 26 HG SER 26 3.988 -1.635 -8.205
207 H GLN 27 H GLN 27 1.060 -1.453 -5.403
208 HA GLN 27 HA GLN 27 1.487 1.123 -6.813
209 HB2 GLN 27 HB2 GLN 27 -0.760 1.861 -6.444
210 HB3 GLN 27 HB3 GLN 27 -0.847 0.329 -7.313
211 HG2 GLN 27 HG2 GLN 27 -1.382 -0.837 -5.156
212 HG3 GLN 27 HG3 GLN 27 -1.274 0.701 -4.303
213 HE21 GLN 27 HE22 GLN 27 -3.364 1.203 -3.628
214 HE22 GLN 27 HE21 GLN 27 -4.704 1.139 -4.791
215 H PHE 28 H PHE 28 1.574 2.977 -5.316
216 HA PHE 28 HA PHE 28 2.149 2.201 -2.518
217 HB2 PHE 28 HB2 PHE 28 2.403 4.821 -4.021
218 HB3 PHE 28 HB3 PHE 28 2.757 4.617 -2.309
219 HD1 PHE 28 HD1 PHE 28 4.484 2.803 -1.603
220 HD2 PHE 28 HD2 PHE 28 4.133 4.347 -5.626
221 HE1 PHE 28 HE1 PHE 28 6.774 2.073 -2.085
222 HE2 PHE 28 HE2 PHE 28 6.437 3.574 -6.111
223 HZ PHE 28 HZ PHE 28 7.770 2.434 -4.348
224 H GLU 29 H GLU 29 -0.641 3.390 -4.280
225 HA GLU 29 HA GLU 29 -1.690 4.958 -2.150
226 HB2 GLU 29 HB2 GLU 29 -2.428 4.450 -4.820
227 HB3 GLU 29 HB3 GLU 29 -3.784 3.836 -3.881
228 HG2 GLU 29 HG2 GLU 29 -2.582 6.632 -3.686
229 HG3 GLU 29 HG3 GLU 29 -4.066 6.202 -4.530
230 H ARG 30 H ARG 30 -3.002 4.563 -0.556
231 HA ARG 30 HA ARG 30 -3.144 1.768 0.407
232 HB2 ARG 30 HB2 ARG 30 -3.319 2.868 2.713
233 HB3 ARG 30 HB3 ARG 30 -1.807 2.954 1.854
234 HG2 ARG 30 HG2 ARG 30 -2.085 4.960 2.954
235 HG3 ARG 30 HG3 ARG 30 -2.203 5.281 1.239
236 HD2 ARG 30 HD2 ARG 30 -4.735 4.835 2.870
237 HD3 ARG 30 HD3 ARG 30 -3.839 6.347 3.085
238 HE ARG 30 HE ARG 30 -4.191 6.053 0.292
239 HH11 ARG 30 HH11 ARG 30 -6.234 6.609 3.062
240 HH12 ARG 30 HH12 ARG 30 -7.417 7.500 2.129
241 HH21 ARG 30 HH21 ARG 30 -5.709 7.049 -0.875
242 HH22 ARG 30 HH22 ARG 30 -7.034 7.874 -0.059
243 HA PRO 31 HA PRO 31 -7.439 1.181 0.626
244 HB2 PRO 31 HB2 PRO 31 -7.133 0.941 3.626
245 HB3 PRO 31 HB3 PRO 31 -8.120 -0.064 2.513
246 HG2 PRO 31 HG2 PRO 31 -5.705 -0.934 3.300
247 HG3 PRO 31 HG3 PRO 31 -6.172 -1.072 1.583
248 HD2 PRO 31 HD2 PRO 31 -4.359 0.949 2.883
249 HD3 PRO 31 HD3 PRO 31 -4.208 0.133 1.293
250 H SER 32 H SER 32 -9.460 1.890 1.398
251 HA SER 32 HA SER 32 -9.857 4.144 3.169
252 HB2 SER 32 HB2 SER 32 -10.602 4.769 0.290
253 HB3 SER 32 HB3 SER 32 -10.556 5.850 1.680
254 HG SER 32 HG SER 32 -8.135 4.942 1.509
255 H GLY 33 H GLY 33 -10.799 1.328 2.485
256 HA2 GLY 33 HA2 GLY 33 -13.042 0.534 3.107
257 HA3 GLY 33 HA3 GLY 33 -13.680 1.674 1.894
258 H1 NAG 101 H1 NAG 34 12.410 0.504 -0.243
259 H2 NAG 101 H2 NAG 34 13.664 3.066 -1.378
260 H3 NAG 101 H3 NAG 34 10.797 2.018 -1.276
261 H4 NAG 101 H4 NAG 34 12.653 2.534 -3.658
262 H5 NAG 101 H5 NAG 34 11.552 -0.038 -2.461
263 H61 NAG 101 H61 NAG 34 12.903 -1.295 -3.981
264 H62 NAG 101 H62 NAG 34 11.979 -0.159 -4.967
265 H81 NAG 101 H2M NAG 34 12.176 5.058 2.161
266 H82 NAG 101 H3M NAG 34 13.859 5.179 2.707
267 H83 NAG 101 H1M NAG 34 12.867 3.805 3.223
268 HN2 NAG 101 H2N NAG 34 11.623 3.229 0.741
269 HO3 NAG 101 H3O NAG 34 11.103 4.413 -1.141
270 HO4 NAG 101 H4O NAG 34 10.325 2.886 -3.710
271 HO6 NAG 101 H6O NAG 34 14.584 0.354 -3.914
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -12.211 -0.647 1.410
2 H2 LYS 1 H2 LYS 1 -11.297 -0.301 2.703
3 H3 LYS 1 H3 LYS 1 -12.907 -0.612 2.923
4 HA LYS 1 HA LYS 1 -11.303 -2.457 3.530
5 HB2 LYS 1 HB2 LYS 1 -13.526 -2.948 1.503
6 HB3 LYS 1 HB3 LYS 1 -12.691 -4.234 2.366
7 HG2 LYS 1 HG2 LYS 1 -14.299 -2.020 3.715
8 HG3 LYS 1 HG3 LYS 1 -14.891 -3.639 3.342
9 HD2 LYS 1 HD2 LYS 1 -13.095 -4.615 4.813
10 HD3 LYS 1 HD3 LYS 1 -12.586 -2.973 5.228
11 HE2 LYS 1 HE2 LYS 1 -13.963 -3.737 7.013
12 HE3 LYS 1 HE3 LYS 1 -14.875 -2.510 6.128
13 HZ1 LYS 1 HZ1 LYS 1 -16.241 -4.435 6.645
14 HZ2 LYS 1 HZ2 LYS 1 -16.069 -4.317 5.015
15 HZ3 LYS 1 HZ3 LYS 1 -15.216 -5.444 5.852
16 H LEU 2 H LEU 2 -9.574 -3.665 2.856
17 HA LEU 2 HA LEU 2 -8.143 -3.098 0.528
18 HB2 LEU 2 HB2 LEU 2 -7.426 -4.098 2.755
19 HB3 LEU 2 HB3 LEU 2 -8.152 -5.616 2.249
20 HG LEU 2 HG LEU 2 -6.503 -5.749 0.372
21 HD11 LEU 2 HD11 LEU 2 -5.325 -3.244 1.656
22 HD12 LEU 2 HD12 LEU 2 -4.543 -4.258 0.413
23 HD13 LEU 2 HD13 LEU 2 -6.006 -3.368 0.023
24 HD21 LEU 2 HD21 LEU 2 -5.376 -5.304 3.181
25 HD22 LEU 2 HD22 LEU 2 -6.013 -6.828 2.518
26 HD23 LEU 2 HD23 LEU 2 -4.525 -6.130 1.868
27 HA PRO 3 HA PRO 3 -10.975 -5.327 -2.100
28 HB2 PRO 3 HB2 PRO 3 -10.008 -4.754 -4.596
29 HB3 PRO 3 HB3 PRO 3 -10.746 -3.523 -3.525
30 HG2 PRO 3 HG2 PRO 3 -7.800 -4.146 -3.887
31 HG3 PRO 3 HG3 PRO 3 -8.607 -2.549 -3.963
32 HD2 PRO 3 HD2 PRO 3 -7.389 -3.469 -1.699
33 HD3 PRO 3 HD3 PRO 3 -8.889 -2.488 -1.621
34 HA PRO 4 HA PRO 4 -9.712 -9.431 -3.084
35 HB2 PRO 4 HB2 PRO 4 -10.877 -8.934 -5.836
36 HB3 PRO 4 HB3 PRO 4 -11.061 -10.373 -4.780
37 HG2 PRO 4 HG2 PRO 4 -13.016 -8.508 -4.865
38 HG3 PRO 4 HG3 PRO 4 -12.495 -9.174 -3.283
39 HD2 PRO 4 HD2 PRO 4 -11.750 -6.537 -4.551
40 HD3 PRO 4 HD3 PRO 4 -12.161 -6.911 -2.849
41 H GLY 5 H GLY 5 -7.841 -10.347 -3.621
42 HA2 GLY 5 HA2 GLY 5 -6.005 -10.987 -4.858
43 HA3 GLY 5 HA3 GLY 5 -6.493 -9.883 -6.146
44 H TRP 6 H TRP 6 -6.453 -7.676 -3.753
45 HA TRP 6 HA TRP 6 -3.574 -7.077 -3.975
46 HB2 TRP 6 HB2 TRP 6 -5.994 -5.488 -3.090
47 HB3 TRP 6 HB3 TRP 6 -4.340 -4.929 -2.966
48 HD1 TRP 6 HD1 TRP 6 -7.011 -5.709 -5.582
49 HE1 TRP 6 HE1 TRP 6 -6.391 -4.559 -7.803
50 HE3 TRP 6 HE3 TRP 6 -2.276 -4.173 -4.406
51 HZ2 TRP 6 HZ2 TRP 6 -4.087 -3.226 -8.947
52 HZ3 TRP 6 HZ3 TRP 6 -0.870 -3.018 -6.103
53 HH2 TRP 6 HH2 TRP 6 -1.766 -2.546 -8.358
54 H GLU 7 H GLU 7 -2.172 -7.106 -2.257
55 HA GLU 7 HA GLU 7 -3.364 -7.196 0.443
56 HB2 GLU 7 HB2 GLU 7 -1.732 -8.810 1.194
57 HB3 GLU 7 HB3 GLU 7 -2.862 -9.481 0.019
58 HG2 GLU 7 HG2 GLU 7 -1.177 -9.394 -1.754
59 HG3 GLU 7 HG3 GLU 7 -0.051 -8.555 -0.689
60 H LYS 8 H LYS 8 -1.902 -6.549 2.164
61 HA LYS 8 HA LYS 8 -0.474 -4.109 1.454
62 HB2 LYS 8 HB2 LYS 8 -2.072 -4.511 3.408
63 HB3 LYS 8 HB3 LYS 8 -0.798 -5.471 4.164
64 HG2 LYS 8 HG2 LYS 8 0.686 -3.425 4.087
65 HG3 LYS 8 HG3 LYS 8 -0.678 -2.495 3.456
66 HD2 LYS 8 HD2 LYS 8 -0.602 -3.978 6.118
67 HD3 LYS 8 HD3 LYS 8 -0.332 -2.253 5.940
68 HE2 LYS 8 HE2 LYS 8 -2.936 -3.551 5.031
69 HE3 LYS 8 HE3 LYS 8 -2.666 -3.126 6.719
70 HZ1 LYS 8 HZ1 LYS 8 -2.487 -1.169 4.499
71 HZ2 LYS 8 HZ2 LYS 8 -3.811 -1.350 5.458
72 HZ3 LYS 8 HZ3 LYS 8 -2.380 -0.845 6.103
73 H ARG 9 H ARG 9 1.795 -3.782 1.351
74 HA ARG 9 HA ARG 9 3.602 -5.958 2.187
75 HB2 ARG 9 HB2 ARG 9 2.571 -5.723 -0.325
76 HB3 ARG 9 HB3 ARG 9 3.704 -4.394 -0.409
77 HG2 ARG 9 HG2 ARG 9 4.864 -6.077 -1.295
78 HG3 ARG 9 HG3 ARG 9 5.482 -6.192 0.350
79 HD2 ARG 9 HD2 ARG 9 3.694 -8.014 -1.235
80 HD3 ARG 9 HD3 ARG 9 5.104 -8.428 -0.251
81 HE ARG 9 HE ARG 9 2.972 -7.457 1.435
82 HH11 ARG 9 HH12 ARG 9 3.499 -10.232 -0.613
83 HH12 ARG 9 HH11 ARG 9 1.951 -10.895 -0.156
84 HH21 ARG 9 HH21 ARG 9 1.349 -8.465 2.256
85 HH22 ARG 9 HH22 ARG 9 0.890 -10.076 1.664
86 H MET 10 H MET 10 5.954 -5.187 1.945
87 HA MET 10 HA MET 10 6.326 -2.316 2.236
88 HB2 MET 10 HB2 MET 10 5.646 -3.243 4.540
89 HB3 MET 10 HB3 MET 10 7.149 -4.172 4.508
90 HG2 MET 10 HG2 MET 10 8.370 -1.950 4.175
91 HG3 MET 10 HG3 MET 10 6.822 -1.152 4.393
92 HE1 MET 10 HE1 MET 10 8.771 -4.124 6.231
93 HE2 MET 10 HE2 MET 10 9.909 -2.781 5.974
94 HE3 MET 10 HE3 MET 10 9.393 -3.209 7.620
95 H PHE 11 H PHE 11 8.305 -1.679 1.661
96 HA PHE 11 HA PHE 11 10.331 -3.510 0.627
97 HB2 PHE 11 HB2 PHE 11 10.211 -0.498 1.054
98 HB3 PHE 11 HB3 PHE 11 11.554 -1.355 0.315
99 HD1 PHE 11 HD2 PHE 11 11.212 -2.727 -1.780
100 HD2 PHE 11 HD1 PHE 11 8.324 0.166 -0.353
101 HE1 PHE 11 HE2 PHE 11 10.169 -2.662 -4.025
102 HE2 PHE 11 HE1 PHE 11 7.306 0.205 -2.625
103 HZ PHE 11 HZ PHE 11 8.220 -1.180 -4.443
104 H ALA 12 H ALA 12 12.206 -4.176 1.716
105 HA ALA 12 HA ALA 12 12.215 -4.254 4.508
106 HB1 ALA 12 HB1 ALA 12 14.524 -4.645 2.553
107 HB2 ALA 12 HB2 ALA 12 14.462 -5.229 4.230
108 HB3 ALA 12 HB3 ALA 12 13.330 -5.878 3.029
109 H ASN 13 H ASN 13 13.762 -1.846 2.398
110 HA ASN 13 HA ASN 13 15.171 -0.454 4.502
111 HB2 ASN 13 HB2 ASN 13 15.484 1.242 2.664
112 HB3 ASN 13 HB3 ASN 13 16.074 -0.372 2.304
113 HD21 ASN 13 HD21 ASN 13 14.452 2.189 0.943
114 H GLY 14 H GLY 14 11.917 -0.816 4.297
115 HA2 GLY 14 HA2 GLY 14 10.489 0.127 5.815
116 HA3 GLY 14 HA3 GLY 14 11.547 1.525 6.002
117 H THR 15 H THR 15 9.365 0.054 3.426
118 HA THR 15 HA THR 15 7.830 2.548 3.497
119 HB THR 15 HB THR 15 9.285 1.783 0.954
120 HG1 THR 15 HG1 THR 15 9.858 3.357 2.978
121 HG21 THR 15 HG21 THR 15 8.213 3.748 -0.044
122 HG22 THR 15 HG22 THR 15 6.956 2.587 0.438
123 HG23 THR 15 HG23 THR 15 7.274 4.029 1.434
124 H VAL 16 H VAL 16 5.692 2.129 3.251
125 HA VAL 16 HA VAL 16 4.966 -0.679 2.690
126 HB VAL 16 HB VAL 16 3.619 1.629 4.111
127 HG11 VAL 16 HG11 VAL 16 2.273 -1.010 3.368
128 HG12 VAL 16 HG12 VAL 16 1.662 0.164 4.551
129 HG13 VAL 16 HG13 VAL 16 1.767 0.617 2.853
130 HG21 VAL 16 HG21 VAL 16 3.565 -0.003 5.965
131 HG22 VAL 16 HG22 VAL 16 4.251 -1.249 4.903
132 HG23 VAL 16 HG23 VAL 16 5.216 0.180 5.363
133 H TYR 17 H TYR 17 3.545 -1.331 1.181
134 HA TYR 17 HA TYR 17 2.193 0.564 -0.598
135 HB2 TYR 17 HB2 TYR 17 3.221 -0.299 -2.626
136 HB3 TYR 17 HB3 TYR 17 4.456 0.351 -1.575
137 HD1 TYR 17 HD1 TYR 17 5.963 -1.100 -0.304
138 HD2 TYR 17 HD2 TYR 17 3.274 -2.713 -3.264
139 HE1 TYR 17 HE1 TYR 17 7.462 -3.042 -0.600
140 HE2 TYR 17 HE2 TYR 17 4.750 -4.692 -3.531
141 HH TYR 17 HH TYR 17 7.902 -4.913 -1.866
142 H TYR 18 H TYR 18 1.009 -0.825 -2.350
143 HA TYR 18 HA TYR 18 -0.068 -3.311 -1.136
144 HB2 TYR 18 HB2 TYR 18 -1.337 -1.220 -2.944
145 HB3 TYR 18 HB3 TYR 18 -2.091 -2.761 -2.499
146 HD1 TYR 18 HD1 TYR 18 -2.579 -3.326 -0.160
147 HD2 TYR 18 HD2 TYR 18 -1.020 0.556 -1.248
148 HE1 TYR 18 HE1 TYR 18 -3.074 -2.490 2.118
149 HE2 TYR 18 HE2 TYR 18 -1.323 1.326 1.054
150 HH TYR 18 HH TYR 18 -3.529 -0.102 3.103
151 H PHE 19 H PHE 19 -0.009 -5.127 -2.156
152 HA PHE 19 HA PHE 19 1.276 -5.283 -4.837
153 HB2 PHE 19 HB2 PHE 19 2.752 -5.808 -2.951
154 HB3 PHE 19 HB3 PHE 19 1.599 -6.959 -2.316
155 HD1 PHE 19 HD1 PHE 19 3.912 -6.221 -5.129
156 HD2 PHE 19 HD2 PHE 19 1.446 -9.233 -3.235
157 HE1 PHE 19 HE1 PHE 19 5.038 -7.966 -6.443
158 HE2 PHE 19 HE2 PHE 19 2.580 -10.984 -4.570
159 HZ PHE 19 HZ PHE 19 4.375 -10.368 -6.174
160 H ASN 20 H ASN 20 -0.117 -6.046 -6.305
161 HA ASN 20 HA ASN 20 -2.462 -7.592 -5.596
162 HB2 ASN 20 HB2 ASN 20 -2.380 -5.952 -7.483
163 HB3 ASN 20 HB3 ASN 20 -1.226 -6.990 -8.293
164 HD21 ASN 20 HD22 ASN 20 -4.652 -6.639 -7.331
165 HD22 ASN 20 HD21 ASN 20 -5.159 -8.046 -8.253
166 H HIS 21 H HIS 21 -1.964 -9.580 -4.690
167 HA HIS 21 HA HIS 21 0.278 -11.162 -5.585
168 HB2 HIS 21 HB2 HIS 21 -0.463 -12.732 -3.908
169 HB3 HIS 21 HB3 HIS 21 -0.498 -11.098 -3.287
170 HD2 HIS 21 HD2 HIS 21 -2.975 -13.800 -4.577
171 HE1 HIS 21 HE1 HIS 21 -5.082 -11.240 -1.883
172 HE2 HIS 21 HE2 HIS 21 -5.243 -13.377 -3.294
173 H ILE 22 H ILE 22 -2.482 -10.648 -7.346
174 HA ILE 22 HA ILE 22 -2.546 -13.431 -8.418
175 HB ILE 22 HB ILE 22 -4.349 -11.033 -8.927
176 HG12 ILE 22 HG12 ILE 22 -4.764 -13.630 -7.374
177 HG13 ILE 22 HG13 ILE 22 -4.639 -12.012 -6.689
178 HG21 ILE 22 HG21 ILE 22 -4.222 -12.410 -10.964
179 HG22 ILE 22 HG22 ILE 22 -4.555 -13.875 -10.014
180 HG23 ILE 22 HG23 ILE 22 -5.785 -12.603 -10.210
181 HD11 ILE 22 HD11 ILE 22 -6.935 -12.582 -6.655
182 HD12 ILE 22 HD12 ILE 22 -6.742 -11.381 -7.951
183 HD13 ILE 22 HD13 ILE 22 -6.932 -13.110 -8.339
184 H THR 23 H THR 23 -1.171 -10.291 -9.003
185 HA THR 23 HA THR 23 -0.279 -11.139 -11.754
186 HB THR 23 HB THR 23 -0.493 -8.768 -12.414
187 HG1 THR 23 HG1 THR 23 -1.903 -8.464 -9.977
188 HG21 THR 23 HG21 THR 23 -2.401 -10.289 -12.868
189 HG22 THR 23 HG22 THR 23 -3.130 -9.839 -11.313
190 HG23 THR 23 HG23 THR 23 -2.912 -8.614 -12.580
191 H ASN 24 H ASN 24 0.704 -9.743 -8.725
192 HA ASN 24 HA ASN 24 2.617 -9.159 -7.841
193 HB2 ASN 24 HB2 ASN 24 4.093 -9.295 -10.491
194 HB3 ASN 24 HB3 ASN 24 4.775 -9.219 -8.879
195 HD21 ASN 24 HD22 ASN 24 3.135 -11.277 -11.194
196 HD22 ASN 24 HD21 ASN 24 3.588 -12.797 -10.391
197 H ALA 25 H ALA 25 0.666 -7.349 -9.738
198 HA ALA 25 HA ALA 25 2.281 -5.050 -10.290
199 HB1 ALA 25 HB1 ALA 25 -0.720 -5.262 -9.775
200 HB2 ALA 25 HB2 ALA 25 0.122 -3.912 -10.557
201 HB3 ALA 25 HB3 ALA 25 0.084 -5.504 -11.343
202 H SER 26 H SER 26 3.051 -3.441 -8.950
203 HA SER 26 HA SER 26 2.105 -3.387 -6.130
204 HB2 SER 26 HB2 SER 26 4.369 -2.679 -5.555
205 HB3 SER 26 HB3 SER 26 4.379 -4.248 -6.353
206 HG SER 26 HG SER 26 4.635 -1.816 -7.792
207 H GLN 27 H GLN 27 1.172 -1.531 -5.447
208 HA GLN 27 HA GLN 27 1.915 1.074 -6.703
209 HB2 GLN 27 HB2 GLN 27 -0.872 -0.097 -6.319
210 HB3 GLN 27 HB3 GLN 27 -0.583 1.639 -6.447
211 HG2 GLN 27 HG2 GLN 27 0.477 1.344 -8.656
212 HG3 GLN 27 HG3 GLN 27 0.233 -0.407 -8.558
213 HE21 GLN 27 HE22 GLN 27 -1.614 2.746 -8.545
214 HE22 GLN 27 HE21 GLN 27 -3.014 1.982 -9.325
215 H PHE 28 H PHE 28 1.666 2.898 -5.273
216 HA PHE 28 HA PHE 28 2.010 2.160 -2.406
217 HB2 PHE 28 HB2 PHE 28 2.325 4.778 -3.931
218 HB3 PHE 28 HB3 PHE 28 2.585 4.574 -2.199
219 HD1 PHE 28 HD2 PHE 28 4.341 2.914 -1.384
220 HD2 PHE 28 HD1 PHE 28 4.085 4.229 -5.484
221 HE1 PHE 28 HE2 PHE 28 6.644 2.150 -1.768
222 HE2 PHE 28 HE1 PHE 28 6.412 3.457 -5.871
223 HZ PHE 28 HZ PHE 28 7.705 2.411 -4.019
224 H GLU 29 H GLU 29 -0.122 3.749 -4.638
225 HA GLU 29 HA GLU 29 -1.840 5.240 -3.081
226 HB2 GLU 29 HB2 GLU 29 -2.690 3.589 -5.502
227 HB3 GLU 29 HB3 GLU 29 -3.392 5.086 -4.901
228 HG2 GLU 29 HG2 GLU 29 -2.164 5.881 -6.672
229 HG3 GLU 29 HG3 GLU 29 -0.999 6.107 -5.373
230 H ARG 30 H ARG 30 -2.833 4.638 -1.261
231 HA ARG 30 HA ARG 30 -3.280 1.952 -0.537
232 HB2 ARG 30 HB2 ARG 30 -2.614 3.637 1.027
233 HB3 ARG 30 HB3 ARG 30 -4.108 4.568 0.775
234 HG2 ARG 30 HG2 ARG 30 -5.448 2.759 1.758
235 HG3 ARG 30 HG3 ARG 30 -4.019 1.723 1.830
236 HD2 ARG 30 HD2 ARG 30 -2.980 3.364 3.433
237 HD3 ARG 30 HD3 ARG 30 -4.505 4.279 3.405
238 HE ARG 30 HE ARG 30 -4.729 1.409 4.024
239 HH11 ARG 30 HH11 ARG 30 -4.464 4.572 5.498
240 HH12 ARG 30 HH12 ARG 30 -5.071 4.035 7.044
241 HH21 ARG 30 HH21 ARG 30 -5.450 0.719 6.013
242 HH22 ARG 30 HH22 ARG 30 -5.649 1.875 7.316
243 HA PRO 31 HA PRO 31 -7.443 1.867 -2.283
244 HB2 PRO 31 HB2 PRO 31 -7.765 -0.671 -2.778
245 HB3 PRO 31 HB3 PRO 31 -6.525 0.334 -3.602
246 HG2 PRO 31 HG2 PRO 31 -6.102 -1.554 -1.248
247 HG3 PRO 31 HG3 PRO 31 -5.157 -1.513 -2.772
248 HD2 PRO 31 HD2 PRO 31 -4.476 -0.156 -0.427
249 HD3 PRO 31 HD3 PRO 31 -3.967 0.349 -2.058
250 H SER 32 H SER 32 -7.580 2.515 -0.147
251 HA SER 32 HA SER 32 -8.755 2.757 1.934
252 HB2 SER 32 HB2 SER 32 -11.081 2.159 1.794
253 HB3 SER 32 HB3 SER 32 -10.522 2.665 0.194
254 HG SER 32 HG SER 32 -10.090 0.205 0.001
255 H GLY 33 H GLY 33 -6.780 0.533 2.054
256 HA2 GLY 33 HA2 GLY 33 -7.800 -0.816 4.481
257 HA3 GLY 33 HA3 GLY 33 -7.186 -1.818 3.151
258 H1 NAG 101 H1 NAG 34 12.108 0.866 0.146
259 H2 NAG 101 H2 NAG 34 13.321 3.466 -0.956
260 H3 NAG 101 H3 NAG 34 10.485 2.330 -0.929
261 H4 NAG 101 H4 NAG 34 12.385 2.909 -3.259
262 H5 NAG 101 H5 NAG 34 11.335 0.293 -2.109
263 H61 NAG 101 H61 NAG 34 12.752 -0.905 -3.603
264 H62 NAG 101 H62 NAG 34 11.868 0.242 -4.614
265 H81 NAG 101 H2M NAG 34 11.693 5.422 2.547
266 H82 NAG 101 H3M NAG 34 13.348 5.539 3.178
267 H83 NAG 101 H1M NAG 34 12.335 4.151 3.617
268 HN2 NAG 101 H2N NAG 34 11.222 3.568 1.107
269 HO3 NAG 101 H3O NAG 34 10.701 4.728 -0.783
270 HO4 NAG 101 H4O NAG 34 10.050 3.183 -3.377
271 HO6 NAG 101 H6O NAG 34 14.398 0.780 -3.409
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -7.007 3.789 -2.325
2 H2 LYS 1 H2 LYS 1 -6.964 3.044 -0.853
3 H3 LYS 1 H3 LYS 1 -7.888 4.379 -1.086
4 HA LYS 1 HA LYS 1 -9.279 2.378 -1.074
5 HB2 LYS 1 HB2 LYS 1 -8.991 3.767 -3.764
6 HB3 LYS 1 HB3 LYS 1 -10.365 2.764 -3.314
7 HG2 LYS 1 HG2 LYS 1 -11.259 4.303 -1.871
8 HG3 LYS 1 HG3 LYS 1 -9.732 4.968 -1.389
9 HD2 LYS 1 HD2 LYS 1 -11.321 5.605 -3.870
10 HD3 LYS 1 HD3 LYS 1 -10.899 6.672 -2.542
11 HE2 LYS 1 HE2 LYS 1 -9.106 5.662 -4.779
12 HE3 LYS 1 HE3 LYS 1 -9.634 7.310 -4.464
13 HZ1 LYS 1 HZ1 LYS 1 -8.236 6.549 -2.174
14 HZ2 LYS 1 HZ2 LYS 1 -7.385 5.907 -3.413
15 HZ3 LYS 1 HZ3 LYS 1 -7.690 7.517 -3.395
16 H LEU 2 H LEU 2 -7.938 0.451 -0.769
17 HA LEU 2 HA LEU 2 -6.129 -0.561 -2.595
18 HB2 LEU 2 HB2 LEU 2 -6.278 -1.190 -0.265
19 HB3 LEU 2 HB3 LEU 2 -7.860 -1.929 -0.502
20 HG LEU 2 HG LEU 2 -6.834 -3.730 -1.835
21 HD11 LEU 2 HD11 LEU 2 -4.345 -3.890 -1.913
22 HD12 LEU 2 HD12 LEU 2 -5.010 -2.637 -2.942
23 HD13 LEU 2 HD13 LEU 2 -4.271 -2.184 -1.396
24 HD21 LEU 2 HD21 LEU 2 -5.636 -4.871 -0.135
25 HD22 LEU 2 HD22 LEU 2 -5.337 -3.352 0.727
26 HD23 LEU 2 HD23 LEU 2 -6.992 -3.995 0.580
27 HA PRO 3 HA PRO 3 -9.093 -2.203 -5.637
28 HB2 PRO 3 HB2 PRO 3 -7.298 -3.040 -7.571
29 HB3 PRO 3 HB3 PRO 3 -7.837 -1.350 -7.346
30 HG2 PRO 3 HG2 PRO 3 -5.332 -2.654 -6.244
31 HG3 PRO 3 HG3 PRO 3 -5.466 -1.101 -7.130
32 HD2 PRO 3 HD2 PRO 3 -5.332 -1.181 -4.450
33 HD3 PRO 3 HD3 PRO 3 -6.453 -0.052 -5.251
34 HA PRO 4 HA PRO 4 -9.234 -6.416 -4.507
35 HB2 PRO 4 HB2 PRO 4 -10.589 -7.647 -6.564
36 HB3 PRO 4 HB3 PRO 4 -11.341 -6.498 -5.416
37 HG2 PRO 4 HG2 PRO 4 -10.259 -5.918 -8.188
38 HG3 PRO 4 HG3 PRO 4 -11.837 -5.430 -7.490
39 HD2 PRO 4 HD2 PRO 4 -9.714 -3.737 -7.538
40 HD3 PRO 4 HD3 PRO 4 -10.827 -3.774 -6.136
41 H GLY 5 H GLY 5 -7.820 -8.048 -4.424
42 HA2 GLY 5 HA2 GLY 5 -6.487 -9.803 -5.300
43 HA3 GLY 5 HA3 GLY 5 -6.296 -8.925 -6.818
44 H TRP 6 H TRP 6 -5.746 -6.461 -4.722
45 HA TRP 6 HA TRP 6 -2.837 -6.914 -4.610
46 HB2 TRP 6 HB2 TRP 6 -4.644 -4.518 -4.364
47 HB3 TRP 6 HB3 TRP 6 -3.005 -4.481 -3.777
48 HD1 TRP 6 HD1 TRP 6 -1.187 -3.805 -5.319
49 HE1 TRP 6 HE1 TRP 6 -0.938 -3.322 -7.810
50 HE3 TRP 6 HE3 TRP 6 -5.765 -5.429 -6.899
51 HZ2 TRP 6 HZ2 TRP 6 -2.589 -3.462 -10.184
52 HZ3 TRP 6 HZ3 TRP 6 -6.426 -5.212 -9.273
53 HH2 TRP 6 HH2 TRP 6 -4.848 -4.228 -10.931
54 H GLU 7 H GLU 7 -1.719 -7.288 -2.790
55 HA GLU 7 HA GLU 7 -3.122 -7.360 -0.163
56 HB2 GLU 7 HB2 GLU 7 -3.037 -9.462 -1.394
57 HB3 GLU 7 HB3 GLU 7 -1.296 -9.373 -1.551
58 HG2 GLU 7 HG2 GLU 7 -2.685 -9.405 1.160
59 HG3 GLU 7 HG3 GLU 7 -2.425 -10.893 0.254
60 H LYS 8 H LYS 8 -1.941 -6.702 1.667
61 HA LYS 8 HA LYS 8 -0.061 -4.715 1.226
62 HB2 LYS 8 HB2 LYS 8 -0.158 -4.221 3.429
63 HB3 LYS 8 HB3 LYS 8 -1.675 -5.073 3.214
64 HG2 LYS 8 HG2 LYS 8 0.861 -6.243 4.437
65 HG3 LYS 8 HG3 LYS 8 -0.477 -5.578 5.336
66 HD2 LYS 8 HD2 LYS 8 -1.871 -7.357 4.993
67 HD3 LYS 8 HD3 LYS 8 -1.177 -7.806 3.437
68 HE2 LYS 8 HE2 LYS 8 0.443 -8.072 5.985
69 HE3 LYS 8 HE3 LYS 8 -0.710 -9.329 5.493
70 HZ1 LYS 8 HZ1 LYS 8 1.362 -8.358 3.619
71 HZ2 LYS 8 HZ2 LYS 8 1.593 -9.692 4.611
72 HZ3 LYS 8 HZ3 LYS 8 0.403 -9.629 3.460
73 H ARG 9 H ARG 9 2.056 -4.331 1.433
74 HA ARG 9 HA ARG 9 3.987 -6.407 2.324
75 HB2 ARG 9 HB2 ARG 9 4.132 -4.834 -0.263
76 HB3 ARG 9 HB3 ARG 9 5.376 -5.950 0.312
77 HG2 ARG 9 HG2 ARG 9 2.637 -6.651 -0.743
78 HG3 ARG 9 HG3 ARG 9 4.186 -6.918 -1.528
79 HD2 ARG 9 HD2 ARG 9 4.869 -8.619 -0.062
80 HD3 ARG 9 HD3 ARG 9 3.695 -8.161 1.154
81 HE ARG 9 HE ARG 9 1.963 -9.310 0.037
82 HH11 ARG 9 HH11 ARG 9 4.807 -9.450 -2.029
83 HH12 ARG 9 HH12 ARG 9 4.012 -10.546 -3.132
84 HH21 ARG 9 HH21 ARG 9 1.154 -10.655 -1.124
85 HH22 ARG 9 HH22 ARG 9 1.920 -11.410 -2.551
86 H MET 10 H MET 10 6.284 -5.387 2.200
87 HA MET 10 HA MET 10 6.426 -2.518 2.730
88 HB2 MET 10 HB2 MET 10 5.681 -3.671 4.860
89 HB3 MET 10 HB3 MET 10 7.206 -4.555 4.861
90 HG2 MET 10 HG2 MET 10 8.449 -2.454 5.113
91 HG3 MET 10 HG3 MET 10 6.961 -1.521 4.883
92 HE1 MET 10 HE1 MET 10 6.893 -0.121 7.007
93 HE2 MET 10 HE2 MET 10 7.205 -0.731 8.646
94 HE3 MET 10 HE3 MET 10 8.522 -0.679 7.462
95 H PHE 11 H PHE 11 8.242 -1.846 1.751
96 HA PHE 11 HA PHE 11 10.257 -3.618 0.671
97 HB2 PHE 11 HB2 PHE 11 9.984 -0.626 0.897
98 HB3 PHE 11 HB3 PHE 11 11.375 -1.391 0.159
99 HD1 PHE 11 HD2 PHE 11 10.863 -3.205 -1.723
100 HD2 PHE 11 HD1 PHE 11 8.189 -0.001 -0.583
101 HE1 PHE 11 HE2 PHE 11 9.808 -3.264 -3.964
102 HE2 PHE 11 HE1 PHE 11 7.201 -0.045 -2.849
103 HZ PHE 11 HZ PHE 11 7.998 -1.645 -4.529
104 H ALA 12 H ALA 12 12.587 -3.523 1.178
105 HA ALA 12 HA ALA 12 13.183 -3.842 3.900
106 HB1 ALA 12 HB1 ALA 12 14.381 -4.915 2.030
107 HB2 ALA 12 HB2 ALA 12 15.043 -3.336 1.536
108 HB3 ALA 12 HB3 ALA 12 15.501 -4.050 3.097
109 H ASN 13 H ASN 13 12.991 -0.836 2.195
110 HA ASN 13 HA ASN 13 14.623 0.638 4.173
111 HB2 ASN 13 HB2 ASN 13 14.065 2.597 2.776
112 HB3 ASN 13 HB3 ASN 13 14.784 1.296 1.828
113 HD21 ASN 13 HD21 ASN 13 13.819 2.401 -0.080
114 H GLY 14 H GLY 14 11.568 -0.731 4.267
115 HA2 GLY 14 HA2 GLY 14 10.082 -0.495 6.005
116 HA3 GLY 14 HA3 GLY 14 10.616 1.158 6.321
117 H THR 15 H THR 15 9.807 0.383 2.936
118 HA THR 15 HA THR 15 7.664 2.426 3.184
119 HB THR 15 HB THR 15 9.066 1.290 0.757
120 HG1 THR 15 HG1 THR 15 10.472 2.353 1.880
121 HG21 THR 15 HG21 THR 15 6.815 2.287 0.218
122 HG22 THR 15 HG22 THR 15 7.387 3.813 0.931
123 HG23 THR 15 HG23 THR 15 8.190 3.127 -0.507
124 H VAL 16 H VAL 16 5.526 1.844 3.162
125 HA VAL 16 HA VAL 16 4.907 -0.998 2.663
126 HB VAL 16 HB VAL 16 3.485 1.286 4.048
127 HG11 VAL 16 HG11 VAL 16 1.658 0.147 2.878
128 HG12 VAL 16 HG12 VAL 16 2.264 -1.440 3.412
129 HG13 VAL 16 HG13 VAL 16 1.625 -0.274 4.589
130 HG21 VAL 16 HG21 VAL 16 4.305 -1.526 4.906
131 HG22 VAL 16 HG22 VAL 16 5.205 -0.031 5.276
132 HG23 VAL 16 HG23 VAL 16 3.591 -0.282 5.954
133 H TYR 17 H TYR 17 3.600 -1.777 1.157
134 HA TYR 17 HA TYR 17 2.103 -0.031 -0.669
135 HB2 TYR 17 HB2 TYR 17 3.117 -1.013 -2.675
136 HB3 TYR 17 HB3 TYR 17 4.319 -0.172 -1.728
137 HD1 TYR 17 HD1 TYR 17 5.942 -1.428 -0.323
138 HD2 TYR 17 HD2 TYR 17 3.392 -3.432 -3.167
139 HE1 TYR 17 HE1 TYR 17 7.507 -3.324 -0.360
140 HE2 TYR 17 HE2 TYR 17 4.973 -5.376 -3.203
141 HH TYR 17 HH TYR 17 8.030 -5.336 -1.385
142 H TYR 18 H TYR 18 0.885 -1.530 -2.259
143 HA TYR 18 HA TYR 18 0.279 -4.186 -1.065
144 HB2 TYR 18 HB2 TYR 18 -1.557 -2.234 -2.484
145 HB3 TYR 18 HB3 TYR 18 -1.941 -3.911 -2.058
146 HD1 TYR 18 HD2 TYR 18 -0.640 -0.794 -0.410
147 HD2 TYR 18 HD1 TYR 18 -3.092 -4.316 -0.033
148 HE1 TYR 18 HE2 TYR 18 -0.824 -0.376 1.945
149 HE2 TYR 18 HE1 TYR 18 -3.595 -3.737 2.250
150 HH TYR 18 HH TYR 18 -1.706 -1.193 4.012
151 H PHE 19 H PHE 19 0.184 -5.911 -2.369
152 HA PHE 19 HA PHE 19 1.407 -5.670 -5.080
153 HB2 PHE 19 HB2 PHE 19 2.841 -6.407 -3.274
154 HB3 PHE 19 HB3 PHE 19 1.691 -7.649 -2.798
155 HD1 PHE 19 HD1 PHE 19 1.286 -9.635 -4.306
156 HD2 PHE 19 HD2 PHE 19 4.420 -6.758 -5.029
157 HE1 PHE 19 HE1 PHE 19 2.521 -11.322 -5.652
158 HE2 PHE 19 HE2 PHE 19 5.642 -8.398 -6.351
159 HZ PHE 19 HZ PHE 19 4.689 -10.713 -6.703
160 H ASN 20 H ASN 20 0.092 -6.342 -6.700
161 HA ASN 20 HA ASN 20 -2.247 -7.950 -6.327
162 HB2 ASN 20 HB2 ASN 20 -1.858 -6.320 -8.178
163 HB3 ASN 20 HB3 ASN 20 -0.683 -7.423 -8.866
164 HD21 ASN 20 HD22 ASN 20 -3.947 -6.509 -9.119
165 HD22 ASN 20 HD21 ASN 20 -4.513 -8.063 -9.697
166 H HIS 21 H HIS 21 -1.943 -9.994 -5.405
167 HA HIS 21 HA HIS 21 0.419 -11.541 -6.119
168 HB2 HIS 21 HB2 HIS 21 -0.399 -13.180 -4.579
169 HB3 HIS 21 HB3 HIS 21 -0.524 -11.578 -3.872
170 HD2 HIS 21 HD2 HIS 21 -2.902 -14.142 -5.627
171 HE1 HIS 21 HE1 HIS 21 -5.245 -11.693 -3.032
172 HE2 HIS 21 HE2 HIS 21 -5.306 -13.681 -4.641
173 H ILE 22 H ILE 22 -2.137 -10.967 -8.061
174 HA ILE 22 HA ILE 22 -2.219 -13.686 -9.242
175 HB ILE 22 HB ILE 22 -3.818 -11.272 -10.147
176 HG12 ILE 22 HG12 ILE 22 -4.696 -13.258 -7.999
177 HG13 ILE 22 HG13 ILE 22 -4.294 -11.565 -7.711
178 HG21 ILE 22 HG21 ILE 22 -4.342 -14.265 -10.345
179 HG22 ILE 22 HG22 ILE 22 -5.314 -12.971 -11.079
180 HG23 ILE 22 HG23 ILE 22 -3.675 -13.255 -11.642
181 HD11 ILE 22 HD11 ILE 22 -6.650 -11.705 -7.745
182 HD12 ILE 22 HD12 ILE 22 -6.146 -10.861 -9.218
183 HD13 ILE 22 HD13 ILE 22 -6.669 -12.564 -9.294
184 H THR 23 H THR 23 -1.152 -10.330 -9.861
185 HA THR 23 HA THR 23 0.128 -11.215 -12.420
186 HB THR 23 HB THR 23 -0.019 -8.947 -13.164
187 HG1 THR 23 HG1 THR 23 -1.157 -7.453 -11.763
188 HG21 THR 23 HG21 THR 23 -2.705 -9.583 -11.879
189 HG22 THR 23 HG22 THR 23 -2.395 -8.579 -13.311
190 HG23 THR 23 HG23 THR 23 -2.103 -10.326 -13.376
191 H ASN 24 H ASN 24 0.983 -10.046 -9.254
192 HA ASN 24 HA ASN 24 2.845 -9.611 -8.245
193 HB2 ASN 24 HB2 ASN 24 4.465 -9.640 -10.810
194 HB3 ASN 24 HB3 ASN 24 5.062 -9.692 -9.163
195 HD21 ASN 24 HD22 ASN 24 3.479 -11.533 -11.688
196 HD22 ASN 24 HD21 ASN 24 3.785 -13.115 -10.939
197 H ALA 25 H ALA 25 1.208 -7.549 -10.244
198 HA ALA 25 HA ALA 25 3.010 -5.319 -10.336
199 HB1 ALA 25 HB1 ALA 25 0.974 -4.029 -10.857
200 HB2 ALA 25 HB2 ALA 25 1.015 -5.550 -11.769
201 HB3 ALA 25 HB3 ALA 25 -0.039 -5.394 -10.343
202 H SER 26 H SER 26 3.657 -3.883 -8.780
203 HA SER 26 HA SER 26 2.382 -3.959 -6.104
204 HB2 SER 26 HB2 SER 26 4.591 -3.190 -5.343
205 HB3 SER 26 HB3 SER 26 4.724 -4.696 -6.260
206 HG SER 26 HG SER 26 4.945 -2.148 -7.486
207 H GLN 27 H GLN 27 1.321 -2.159 -5.345
208 HA GLN 27 HA GLN 27 2.119 0.496 -6.361
209 HB2 GLN 27 HB2 GLN 27 0.328 -0.375 -7.860
210 HB3 GLN 27 HB3 GLN 27 -0.738 -0.576 -6.470
211 HG2 GLN 27 HG2 GLN 27 -1.226 1.454 -7.821
212 HG3 GLN 27 HG3 GLN 27 -0.856 1.837 -6.150
213 HE21 GLN 27 HE22 GLN 27 0.299 2.185 -9.530
214 HE22 GLN 27 HE21 GLN 27 1.601 3.262 -9.051
215 H PHE 28 H PHE 28 1.549 2.230 -5.046
216 HA PHE 28 HA PHE 28 1.484 1.654 -2.207
217 HB2 PHE 28 HB2 PHE 28 1.530 4.288 -3.714
218 HB3 PHE 28 HB3 PHE 28 1.906 4.046 -2.005
219 HD1 PHE 28 HD2 PHE 28 3.783 2.299 -1.442
220 HD2 PHE 28 HD1 PHE 28 3.322 4.201 -5.284
221 HE1 PHE 28 HE2 PHE 28 6.122 1.759 -1.987
222 HE2 PHE 28 HE1 PHE 28 5.695 3.686 -5.813
223 HZ PHE 28 HZ PHE 28 7.109 2.476 -4.165
224 H GLU 29 H GLU 29 -1.076 1.539 -4.190
225 HA GLU 29 HA GLU 29 -2.886 3.330 -2.811
226 HB2 GLU 29 HB2 GLU 29 -3.074 2.821 -5.242
227 HB3 GLU 29 HB3 GLU 29 -3.625 1.203 -4.801
228 HG2 GLU 29 HG2 GLU 29 -5.538 2.626 -5.266
229 HG3 GLU 29 HG3 GLU 29 -5.515 2.193 -3.557
230 H ARG 30 H ARG 30 -3.474 3.002 -0.821
231 HA ARG 30 HA ARG 30 -3.619 0.268 0.229
232 HB2 ARG 30 HB2 ARG 30 -2.862 1.106 2.289
233 HB3 ARG 30 HB3 ARG 30 -1.819 1.735 1.044
234 HG2 ARG 30 HG2 ARG 30 -4.033 3.365 2.388
235 HG3 ARG 30 HG3 ARG 30 -2.386 3.217 2.977
236 HD2 ARG 30 HD2 ARG 30 -2.117 5.154 1.870
237 HD3 ARG 30 HD3 ARG 30 -1.707 4.052 0.558
238 HE ARG 30 HE ARG 30 -4.525 5.129 0.889
239 HH11 ARG 30 HH12 ARG 30 -1.750 4.828 -1.396
240 HH12 ARG 30 HH11 ARG 30 -2.885 5.436 -2.622
241 HH21 ARG 30 HH21 ARG 30 -5.538 5.919 -0.681
242 HH22 ARG 30 HH22 ARG 30 -4.816 5.875 -2.340
243 HA PRO 31 HA PRO 31 -7.837 0.290 1.557
244 HB2 PRO 31 HB2 PRO 31 -6.807 -0.156 4.366
245 HB3 PRO 31 HB3 PRO 31 -8.117 -1.018 3.497
246 HG2 PRO 31 HG2 PRO 31 -5.666 -2.160 3.674
247 HG3 PRO 31 HG3 PRO 31 -6.535 -2.163 2.114
248 HD2 PRO 31 HD2 PRO 31 -4.365 -0.291 3.053
249 HD3 PRO 31 HD3 PRO 31 -4.528 -1.146 1.479
250 H SER 32 H SER 32 -9.390 1.178 3.174
251 HA SER 32 HA SER 32 -10.542 2.835 4.081
252 HB2 SER 32 HB2 SER 32 -7.913 3.579 5.383
253 HB3 SER 32 HB3 SER 32 -9.534 4.058 5.925
254 HG SER 32 HG SER 32 -8.762 2.189 7.014
255 H GLY 33 H GLY 33 -7.698 4.189 2.463
256 HA2 GLY 33 HA2 GLY 33 -9.368 6.289 1.234
257 HA3 GLY 33 HA3 GLY 33 -8.103 6.862 2.336
258 H1 NAG 101 H1 NAG 34 11.157 1.152 -0.471
259 H2 NAG 101 H2 NAG 34 12.259 3.439 -2.183
260 H3 NAG 101 H3 NAG 34 9.706 1.740 -2.172
261 H4 NAG 101 H4 NAG 34 11.978 2.096 -4.167
262 H5 NAG 101 H5 NAG 34 11.147 -0.302 -2.491
263 H61 NAG 101 H61 NAG 34 13.050 -1.482 -3.262
264 H62 NAG 101 H62 NAG 34 12.315 -0.822 -4.726
265 H81 NAG 101 H2M NAG 34 10.535 5.997 0.833
266 H82 NAG 101 H3M NAG 34 8.912 5.838 0.122
267 H83 NAG 101 H1M NAG 34 10.002 7.130 -0.427
268 HN2 NAG 101 H2N NAG 34 10.521 3.615 0.148
269 HO3 NAG 101 H3O NAG 34 10.080 4.268 -3.147
270 HO4 NAG 101 H4O NAG 34 9.725 1.724 -4.793
271 HO6 NAG 101 H6O NAG 34 14.336 0.510 -3.214
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -11.829 -5.710 3.057
2 H2 LYS 1 H2 LYS 1 -10.653 -4.979 3.849
3 H3 LYS 1 H3 LYS 1 -11.646 -6.019 4.677
4 HA LYS 1 HA LYS 1 -9.524 -7.084 4.267
5 HB2 LYS 1 HB2 LYS 1 -10.433 -9.150 3.131
6 HB3 LYS 1 HB3 LYS 1 -11.298 -8.549 4.517
7 HG2 LYS 1 HG2 LYS 1 -12.895 -9.303 2.938
8 HG3 LYS 1 HG3 LYS 1 -13.048 -7.572 3.102
9 HD2 LYS 1 HD2 LYS 1 -13.401 -8.102 0.844
10 HD3 LYS 1 HD3 LYS 1 -11.851 -7.297 0.887
11 HE2 LYS 1 HE2 LYS 1 -11.815 -10.303 1.118
12 HE3 LYS 1 HE3 LYS 1 -12.438 -9.659 -0.403
13 HZ1 LYS 1 HZ1 LYS 1 -10.059 -9.991 -0.579
14 HZ2 LYS 1 HZ2 LYS 1 -10.383 -8.358 -0.620
15 HZ3 LYS 1 HZ3 LYS 1 -9.770 -8.987 0.711
16 H LEU 2 H LEU 2 -9.697 -4.779 2.170
17 HA LEU 2 HA LEU 2 -8.722 -4.051 0.431
18 HB2 LEU 2 HB2 LEU 2 -6.975 -6.490 0.749
19 HB3 LEU 2 HB3 LEU 2 -6.838 -5.510 -0.677
20 HG LEU 2 HG LEU 2 -5.128 -4.955 0.885
21 HD11 LEU 2 HD11 LEU 2 -7.074 -2.628 0.705
22 HD12 LEU 2 HD12 LEU 2 -5.315 -2.557 0.890
23 HD13 LEU 2 HD13 LEU 2 -6.013 -3.204 -0.605
24 HD21 LEU 2 HD21 LEU 2 -5.466 -3.880 2.999
25 HD22 LEU 2 HD22 LEU 2 -7.235 -3.950 2.825
26 HD23 LEU 2 HD23 LEU 2 -6.291 -5.451 3.014
27 HA PRO 3 HA PRO 3 -10.854 -5.482 -3.180
28 HB2 PRO 3 HB2 PRO 3 -8.601 -4.362 -4.827
29 HB3 PRO 3 HB3 PRO 3 -10.354 -4.048 -4.953
30 HG2 PRO 3 HG2 PRO 3 -8.689 -2.220 -3.841
31 HG3 PRO 3 HG3 PRO 3 -10.302 -2.551 -3.126
32 HD2 PRO 3 HD2 PRO 3 -7.610 -3.639 -2.265
33 HD3 PRO 3 HD3 PRO 3 -8.917 -2.927 -1.271
34 HA PRO 4 HA PRO 4 -9.700 -9.396 -4.612
35 HB2 PRO 4 HB2 PRO 4 -9.591 -8.376 -7.461
36 HB3 PRO 4 HB3 PRO 4 -10.293 -9.905 -6.835
37 HG2 PRO 4 HG2 PRO 4 -11.897 -7.780 -7.269
38 HG3 PRO 4 HG3 PRO 4 -12.071 -8.715 -5.749
39 HD2 PRO 4 HD2 PRO 4 -10.672 -6.079 -6.192
40 HD3 PRO 4 HD3 PRO 4 -11.721 -6.593 -4.837
41 H GLY 5 H GLY 5 -7.767 -9.889 -3.741
42 HA2 GLY 5 HA2 GLY 5 -5.711 -10.947 -3.995
43 HA3 GLY 5 HA3 GLY 5 -5.502 -10.196 -5.578
44 H TRP 6 H TRP 6 -6.268 -7.589 -3.610
45 HA TRP 6 HA TRP 6 -3.466 -6.761 -3.512
46 HB2 TRP 6 HB2 TRP 6 -6.113 -5.425 -2.898
47 HB3 TRP 6 HB3 TRP 6 -4.562 -4.663 -2.609
48 HD1 TRP 6 HD1 TRP 6 -6.920 -5.597 -5.407
49 HE1 TRP 6 HE1 TRP 6 -6.150 -4.472 -7.600
50 HE3 TRP 6 HE3 TRP 6 -2.290 -4.033 -3.927
51 HZ2 TRP 6 HZ2 TRP 6 -3.791 -3.152 -8.597
52 HZ3 TRP 6 HZ3 TRP 6 -0.764 -2.936 -5.550
53 HH2 TRP 6 HH2 TRP 6 -1.509 -2.464 -7.864
54 H GLU 7 H GLU 7 -2.202 -6.462 -1.717
55 HA GLU 7 HA GLU 7 -3.371 -6.498 0.984
56 HB2 GLU 7 HB2 GLU 7 -2.884 -8.895 -0.030
57 HB3 GLU 7 HB3 GLU 7 -1.219 -8.492 0.286
58 HG2 GLU 7 HG2 GLU 7 -3.442 -8.424 2.385
59 HG3 GLU 7 HG3 GLU 7 -2.528 -9.883 2.013
60 H LYS 8 H LYS 8 -1.582 -6.040 2.649
61 HA LYS 8 HA LYS 8 0.014 -3.754 1.793
62 HB2 LYS 8 HB2 LYS 8 -1.043 -3.487 3.814
63 HB3 LYS 8 HB3 LYS 8 -0.829 -5.118 4.347
64 HG2 LYS 8 HG2 LYS 8 1.411 -3.071 4.266
65 HG3 LYS 8 HG3 LYS 8 0.353 -3.344 5.636
66 HD2 LYS 8 HD2 LYS 8 2.509 -5.208 4.605
67 HD3 LYS 8 HD3 LYS 8 2.364 -4.405 6.134
68 HE2 LYS 8 HE2 LYS 8 1.908 -6.593 6.651
69 HE3 LYS 8 HE3 LYS 8 0.303 -5.861 6.618
70 HZ1 LYS 8 HZ1 LYS 8 -0.233 -7.072 4.685
71 HZ2 LYS 8 HZ2 LYS 8 1.274 -7.148 4.143
72 HZ3 LYS 8 HZ3 LYS 8 0.779 -8.125 5.377
73 H ARG 9 H ARG 9 2.208 -3.534 1.713
74 HA ARG 9 HA ARG 9 3.983 -5.811 2.471
75 HB2 ARG 9 HB2 ARG 9 4.124 -4.251 -0.117
76 HB3 ARG 9 HB3 ARG 9 5.333 -5.419 0.419
77 HG2 ARG 9 HG2 ARG 9 2.542 -5.987 -0.551
78 HG3 ARG 9 HG3 ARG 9 4.062 -6.316 -1.338
79 HD2 ARG 9 HD2 ARG 9 4.227 -8.331 -0.492
80 HD3 ARG 9 HD3 ARG 9 4.336 -7.655 1.117
81 HE ARG 9 HE ARG 9 1.961 -7.921 1.423
82 HH11 ARG 9 HH11 ARG 9 2.916 -9.423 -1.638
83 HH12 ARG 9 HH12 ARG 9 1.619 -10.604 -1.503
84 HH21 ARG 9 HH21 ARG 9 0.452 -9.570 1.532
85 HH22 ARG 9 HH22 ARG 9 0.235 -10.585 0.092
86 H MET 10 H MET 10 6.332 -5.066 2.329
87 HA MET 10 HA MET 10 6.862 -2.237 2.829
88 HB2 MET 10 HB2 MET 10 6.017 -3.178 4.987
89 HB3 MET 10 HB3 MET 10 7.319 -4.366 4.967
90 HG2 MET 10 HG2 MET 10 8.991 -2.620 5.186
91 HG3 MET 10 HG3 MET 10 7.778 -1.358 4.910
92 HE1 MET 10 HE1 MET 10 8.588 -0.712 8.679
93 HE2 MET 10 HE2 MET 10 9.775 -1.283 7.489
94 HE3 MET 10 HE3 MET 10 8.567 -0.051 7.030
95 H PHE 11 H PHE 11 8.658 -1.877 1.666
96 HA PHE 11 HA PHE 11 10.453 -3.918 0.690
97 HB2 PHE 11 HB2 PHE 11 10.498 -0.908 0.729
98 HB3 PHE 11 HB3 PHE 11 11.795 -1.855 0.033
99 HD1 PHE 11 HD2 PHE 11 11.098 -3.719 -1.708
100 HD2 PHE 11 HD1 PHE 11 8.722 -0.217 -0.778
101 HE1 PHE 11 HE2 PHE 11 10.000 -3.859 -3.926
102 HE2 PHE 11 HE1 PHE 11 7.686 -0.364 -3.024
103 HZ PHE 11 HZ PHE 11 8.318 -2.147 -4.587
104 H ALA 12 H ALA 12 12.753 -4.116 1.183
105 HA ALA 12 HA ALA 12 13.367 -4.288 3.912
106 HB1 ALA 12 HB1 ALA 12 15.614 -4.885 3.097
107 HB2 ALA 12 HB2 ALA 12 14.357 -5.668 2.123
108 HB3 ALA 12 HB3 ALA 12 15.220 -4.244 1.489
109 H ASN 13 H ASN 13 13.551 -1.437 1.962
110 HA ASN 13 HA ASN 13 15.432 -0.045 3.766
111 HB2 ASN 13 HB2 ASN 13 15.078 1.854 2.230
112 HB3 ASN 13 HB3 ASN 13 15.574 0.400 1.366
113 HD21 ASN 13 HD21 ASN 13 14.676 1.568 -0.564
114 H GLY 14 H GLY 14 12.222 -0.972 4.060
115 HA2 GLY 14 HA2 GLY 14 10.867 -0.391 5.839
116 HA3 GLY 14 HA3 GLY 14 11.617 1.201 5.968
117 H THR 15 H THR 15 10.587 0.243 2.701
118 HA THR 15 HA THR 15 8.706 2.534 2.828
119 HB THR 15 HB THR 15 9.822 1.061 0.442
120 HG1 THR 15 HG1 THR 15 11.438 1.963 1.446
121 HG21 THR 15 HG21 THR 15 8.598 3.832 0.534
122 HG22 THR 15 HG22 THR 15 9.155 2.916 -0.892
123 HG23 THR 15 HG23 THR 15 7.712 2.392 -0.006
124 H VAL 16 H VAL 16 6.555 2.196 3.042
125 HA VAL 16 HA VAL 16 5.524 -0.545 2.669
126 HB VAL 16 HB VAL 16 4.552 1.922 4.123
127 HG11 VAL 16 HG11 VAL 16 2.540 0.651 4.839
128 HG12 VAL 16 HG12 VAL 16 2.489 1.040 3.122
129 HG13 VAL 16 HG13 VAL 16 2.910 -0.609 3.646
130 HG21 VAL 16 HG21 VAL 16 5.017 -0.977 4.957
131 HG22 VAL 16 HG22 VAL 16 6.169 0.361 5.221
132 HG23 VAL 16 HG23 VAL 16 4.601 0.369 6.039
133 H TYR 17 H TYR 17 3.906 -1.137 1.374
134 HA TYR 17 HA TYR 17 2.598 0.717 -0.469
135 HB2 TYR 17 HB2 TYR 17 3.450 -0.356 -2.487
136 HB3 TYR 17 HB3 TYR 17 4.776 0.309 -1.564
137 HD1 TYR 17 HD1 TYR 17 6.244 -1.150 -0.191
138 HD2 TYR 17 HD2 TYR 17 3.437 -2.799 -3.045
139 HE1 TYR 17 HE1 TYR 17 7.615 -3.177 -0.344
140 HE2 TYR 17 HE2 TYR 17 4.809 -4.841 -3.185
141 HH TYR 17 HH TYR 17 7.954 -5.141 -1.559
142 H TYR 18 H TYR 18 1.224 -0.720 -2.053
143 HA TYR 18 HA TYR 18 0.341 -3.226 -0.686
144 HB2 TYR 18 HB2 TYR 18 -1.321 -1.301 -2.345
145 HB3 TYR 18 HB3 TYR 18 -1.883 -2.815 -1.624
146 HD1 TYR 18 HD2 TYR 18 -0.616 0.600 -0.905
147 HD2 TYR 18 HD1 TYR 18 -2.331 -2.991 0.787
148 HE1 TYR 18 HE2 TYR 18 -0.825 1.726 1.284
149 HE2 TYR 18 HE1 TYR 18 -2.503 -1.873 2.975
150 HH TYR 18 HH TYR 18 -2.221 0.104 4.146
151 H PHE 19 H PHE 19 0.025 -5.010 -1.896
152 HA PHE 19 HA PHE 19 1.066 -5.012 -4.698
153 HB2 PHE 19 HB2 PHE 19 2.738 -5.648 -3.011
154 HB3 PHE 19 HB3 PHE 19 1.658 -6.911 -2.411
155 HD1 PHE 19 HD1 PHE 19 3.931 -5.891 -5.137
156 HD2 PHE 19 HD2 PHE 19 1.335 -9.006 -3.665
157 HE1 PHE 19 HE1 PHE 19 5.025 -7.511 -6.642
158 HE2 PHE 19 HE2 PHE 19 2.488 -10.643 -5.153
159 HZ PHE 19 HZ PHE 19 4.316 -9.903 -6.634
160 H ASN 20 H ASN 20 0.009 -6.361 -6.075
161 HA ASN 20 HA ASN 20 -2.383 -7.772 -5.053
162 HB2 ASN 20 HB2 ASN 20 -2.597 -6.060 -6.857
163 HB3 ASN 20 HB3 ASN 20 -1.594 -7.069 -7.883
164 HD21 ASN 20 HD22 ASN 20 -4.760 -6.619 -6.486
165 HD22 ASN 20 HD21 ASN 20 -5.527 -8.047 -7.113
166 H HIS 21 H HIS 21 -1.627 -9.734 -4.257
167 HA HIS 21 HA HIS 21 0.405 -11.201 -5.777
168 HB2 HIS 21 HB2 HIS 21 0.250 -12.888 -3.949
169 HB3 HIS 21 HB3 HIS 21 0.773 -11.287 -3.515
170 HD2 HIS 21 HD2 HIS 21 -2.902 -12.592 -3.675
171 HE1 HIS 21 HE1 HIS 21 -2.104 -11.314 0.305
172 HE2 HIS 21 HE2 HIS 21 -3.887 -12.202 -1.265
173 H ILE 22 H ILE 22 -2.336 -10.732 -6.981
174 HA ILE 22 HA ILE 22 -2.631 -13.524 -7.998
175 HB ILE 22 HB ILE 22 -4.683 -11.280 -7.873
176 HG12 ILE 22 HG12 ILE 22 -4.489 -14.012 -6.522
177 HG13 ILE 22 HG13 ILE 22 -4.367 -12.438 -5.741
178 HG21 ILE 22 HG21 ILE 22 -4.936 -14.033 -9.163
179 HG22 ILE 22 HG22 ILE 22 -6.269 -12.875 -8.930
180 HG23 ILE 22 HG23 ILE 22 -4.959 -12.468 -10.008
181 HD11 ILE 22 HD11 ILE 22 -6.855 -13.723 -6.898
182 HD12 ILE 22 HD12 ILE 22 -6.524 -13.246 -5.229
183 HD13 ILE 22 HD13 ILE 22 -6.776 -11.998 -6.467
184 H THR 23 H THR 23 -1.609 -10.277 -8.700
185 HA THR 23 HA THR 23 -1.248 -10.962 -11.602
186 HB THR 23 HB THR 23 -1.716 -8.592 -12.109
187 HG1 THR 23 HG1 THR 23 -2.596 -8.440 -9.433
188 HG21 THR 23 HG21 THR 23 -4.118 -8.537 -11.760
189 HG22 THR 23 HG22 THR 23 -3.620 -10.178 -12.216
190 HG23 THR 23 HG23 THR 23 -4.023 -9.811 -10.527
191 H ASN 24 H ASN 24 0.321 -9.851 -8.728
192 HA ASN 24 HA ASN 24 2.310 -9.083 -8.246
193 HB2 ASN 24 HB2 ASN 24 2.985 -10.680 -10.224
194 HB3 ASN 24 HB3 ASN 24 3.314 -9.182 -11.090
195 HD21 ASN 24 HD22 ASN 24 4.661 -7.567 -9.488
196 HD22 ASN 24 HD21 ASN 24 6.118 -8.397 -8.889
197 H ALA 25 H ALA 25 -0.011 -7.292 -9.656
198 HA ALA 25 HA ALA 25 1.452 -4.888 -10.296
199 HB1 ALA 25 HB1 ALA 25 -0.703 -3.780 -10.014
200 HB2 ALA 25 HB2 ALA 25 -0.921 -5.296 -10.908
201 HB3 ALA 25 HB3 ALA 25 -1.371 -5.202 -9.192
202 H SER 26 H SER 26 1.702 -2.928 -8.944
203 HA SER 26 HA SER 26 1.473 -3.234 -6.022
204 HB2 SER 26 HB2 SER 26 3.810 -2.486 -5.688
205 HB3 SER 26 HB3 SER 26 3.713 -4.093 -6.407
206 HG SER 26 HG SER 26 3.902 -1.752 -7.998
207 H GLN 27 H GLN 27 1.149 -1.281 -4.968
208 HA GLN 27 HA GLN 27 1.802 1.236 -6.363
209 HB2 GLN 27 HB2 GLN 27 -0.425 2.176 -6.079
210 HB3 GLN 27 HB3 GLN 27 -0.453 0.762 -7.129
211 HG2 GLN 27 HG2 GLN 27 -1.289 -0.608 -5.173
212 HG3 GLN 27 HG3 GLN 27 -1.361 0.867 -4.216
213 HE21 GLN 27 HE22 GLN 27 -3.227 2.170 -4.396
214 HE22 GLN 27 HE21 GLN 27 -4.463 1.817 -5.623
215 H PHE 28 H PHE 28 2.398 2.875 -5.053
216 HA PHE 28 HA PHE 28 2.585 2.528 -2.167
217 HB2 PHE 28 HB2 PHE 28 3.129 4.922 -3.971
218 HB3 PHE 28 HB3 PHE 28 3.554 4.794 -2.265
219 HD1 PHE 28 HD1 PHE 28 5.017 2.755 -1.549
220 HD2 PHE 28 HD2 PHE 28 4.764 4.258 -5.587
221 HE1 PHE 28 HE1 PHE 28 7.143 1.639 -2.102
222 HE2 PHE 28 HE2 PHE 28 6.920 3.155 -6.125
223 HZ PHE 28 HZ PHE 28 8.123 1.850 -4.385
224 H GLU 29 H GLU 29 0.434 4.275 -4.422
225 HA GLU 29 HA GLU 29 -0.990 5.867 -2.518
226 HB2 GLU 29 HB2 GLU 29 -1.423 4.830 -5.328
227 HB3 GLU 29 HB3 GLU 29 -2.826 5.433 -4.457
228 HG2 GLU 29 HG2 GLU 29 -0.278 7.065 -4.806
229 HG3 GLU 29 HG3 GLU 29 -1.662 7.139 -5.906
230 H ARG 30 H ARG 30 -1.913 4.970 -0.731
231 HA ARG 30 HA ARG 30 -2.522 2.291 -0.576
232 HB2 ARG 30 HB2 ARG 30 -3.191 2.513 1.578
233 HB3 ARG 30 HB3 ARG 30 -1.929 3.700 1.316
234 HG2 ARG 30 HG2 ARG 30 -4.891 4.218 1.740
235 HG3 ARG 30 HG3 ARG 30 -3.546 4.415 2.863
236 HD2 ARG 30 HD2 ARG 30 -4.112 6.606 2.139
237 HD3 ARG 30 HD3 ARG 30 -2.590 6.183 1.332
238 HE ARG 30 HE ARG 30 -4.991 5.493 -0.182
239 HH11 ARG 30 HH11 ARG 30 -2.523 7.993 0.121
240 HH12 ARG 30 HH12 ARG 30 -2.481 8.208 -1.628
241 HH21 ARG 30 HH21 ARG 30 -5.163 6.083 -2.215
242 HH22 ARG 30 HH22 ARG 30 -4.137 7.372 -2.870
243 HA PRO 31 HA PRO 31 -6.698 2.119 -2.344
244 HB2 PRO 31 HB2 PRO 31 -6.883 -0.567 -2.628
245 HB3 PRO 31 HB3 PRO 31 -5.782 0.397 -3.654
246 HG2 PRO 31 HG2 PRO 31 -5.102 -1.237 -1.209
247 HG3 PRO 31 HG3 PRO 31 -4.216 -1.141 -2.759
248 HD2 PRO 31 HD2 PRO 31 -3.686 0.313 -0.415
249 HD3 PRO 31 HD3 PRO 31 -3.094 0.757 -2.042
250 H SER 32 H SER 32 -8.698 0.512 -1.547
251 HA SER 32 HA SER 32 -8.479 -0.424 1.169
252 HB2 SER 32 HB2 SER 32 -10.110 2.079 0.591
253 HB3 SER 32 HB3 SER 32 -10.417 1.025 1.988
254 HG SER 32 HG SER 32 -7.761 1.751 1.538
255 H GLY 33 H GLY 33 -10.438 -1.523 1.891
256 HA2 GLY 33 HA2 GLY 33 -12.799 -2.151 0.819
257 HA3 GLY 33 HA3 GLY 33 -11.679 -3.015 -0.254
258 H1 NAG 101 H1 NAG 34 11.876 0.616 -0.811
259 H2 NAG 101 H2 NAG 34 13.185 2.639 -2.698
260 H3 NAG 101 H3 NAG 34 10.449 1.268 -2.501
261 H4 NAG 101 H4 NAG 34 12.676 1.228 -4.576
262 H5 NAG 101 H5 NAG 34 11.634 -0.954 -2.733
263 H61 NAG 101 H61 NAG 34 13.395 -2.376 -3.471
264 H62 NAG 101 H62 NAG 34 12.653 -1.753 -4.948
265 H81 NAG 101 H2M NAG 34 10.218 5.610 -0.519
266 H82 NAG 101 H3M NAG 34 11.502 6.684 -1.117
267 H83 NAG 101 H1M NAG 34 11.843 5.546 0.204
268 HN2 NAG 101 H2N NAG 34 11.571 3.177 -0.337
269 HO3 NAG 101 H3O NAG 34 11.089 3.666 -3.653
270 HO4 NAG 101 H4O NAG 34 10.393 1.093 -5.137
271 HO6 NAG 101 H6O NAG 34 14.878 -0.543 -3.628
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -4.667 -7.904 4.027
2 H2 LYS 1 H2 LYS 1 -4.725 -7.942 5.672
3 H3 LYS 1 H3 LYS 1 -4.263 -6.571 4.860
4 HA LYS 1 HA LYS 1 -6.941 -7.807 4.744
5 HB2 LYS 1 HB2 LYS 1 -6.583 -6.769 6.940
6 HB3 LYS 1 HB3 LYS 1 -5.923 -5.333 6.181
7 HG2 LYS 1 HG2 LYS 1 -8.414 -5.278 5.040
8 HG3 LYS 1 HG3 LYS 1 -8.789 -6.233 6.448
9 HD2 LYS 1 HD2 LYS 1 -9.235 -3.794 6.688
10 HD3 LYS 1 HD3 LYS 1 -8.165 -4.437 7.925
11 HE2 LYS 1 HE2 LYS 1 -7.492 -2.183 7.128
12 HE3 LYS 1 HE3 LYS 1 -6.235 -3.399 6.952
13 HZ1 LYS 1 HZ1 LYS 1 -7.876 -2.261 4.737
14 HZ2 LYS 1 HZ2 LYS 1 -6.274 -2.100 4.991
15 HZ3 LYS 1 HZ3 LYS 1 -6.863 -3.559 4.559
16 H LEU 2 H LEU 2 -6.988 -7.740 2.381
17 HA LEU 2 HA LEU 2 -8.117 -5.219 1.512
18 HB2 LEU 2 HB2 LEU 2 -5.558 -6.340 0.368
19 HB3 LEU 2 HB3 LEU 2 -6.674 -5.552 -0.705
20 HG LEU 2 HG LEU 2 -5.006 -4.334 1.492
21 HD11 LEU 2 HD11 LEU 2 -4.097 -4.478 -0.776
22 HD12 LEU 2 HD12 LEU 2 -5.543 -3.675 -1.433
23 HD13 LEU 2 HD13 LEU 2 -4.465 -2.787 -0.367
24 HD21 LEU 2 HD21 LEU 2 -6.121 -2.187 1.238
25 HD22 LEU 2 HD22 LEU 2 -7.328 -2.890 0.125
26 HD23 LEU 2 HD23 LEU 2 -7.285 -3.330 1.846
27 HA PRO 3 HA PRO 3 -10.861 -7.689 -0.831
28 HB2 PRO 3 HB2 PRO 3 -9.951 -6.243 -3.327
29 HB3 PRO 3 HB3 PRO 3 -11.618 -6.645 -2.805
30 HG2 PRO 3 HG2 PRO 3 -10.648 -4.157 -2.398
31 HG3 PRO 3 HG3 PRO 3 -11.554 -4.977 -1.083
32 HD2 PRO 3 HD2 PRO 3 -8.567 -4.694 -1.423
33 HD3 PRO 3 HD3 PRO 3 -9.560 -4.491 0.052
34 HA PRO 4 HA PRO 4 -8.619 -11.279 -2.060
35 HB2 PRO 4 HB2 PRO 4 -10.941 -11.694 -3.966
36 HB3 PRO 4 HB3 PRO 4 -10.086 -12.902 -2.950
37 HG2 PRO 4 HG2 PRO 4 -12.398 -11.807 -2.084
38 HG3 PRO 4 HG3 PRO 4 -11.017 -11.975 -0.950
39 HD2 PRO 4 HD2 PRO 4 -11.974 -9.509 -2.401
40 HD3 PRO 4 HD3 PRO 4 -11.356 -9.696 -0.730
41 H GLY 5 H GLY 5 -6.776 -10.703 -3.014
42 HA2 GLY 5 HA2 GLY 5 -5.664 -11.478 -5.214
43 HA3 GLY 5 HA3 GLY 5 -6.670 -10.228 -5.957
44 H TRP 6 H TRP 6 -6.462 -8.243 -3.841
45 HA TRP 6 HA TRP 6 -3.612 -7.441 -4.134
46 HB2 TRP 6 HB2 TRP 6 -6.059 -5.963 -4.332
47 HB3 TRP 6 HB3 TRP 6 -5.215 -5.414 -2.904
48 HD1 TRP 6 HD1 TRP 6 -2.613 -4.626 -3.300
49 HE1 TRP 6 HE1 TRP 6 -1.474 -3.459 -5.300
50 HE3 TRP 6 HE3 TRP 6 -6.151 -5.564 -6.865
51 HZ2 TRP 6 HZ2 TRP 6 -2.024 -3.067 -8.111
52 HZ3 TRP 6 HZ3 TRP 6 -5.829 -4.763 -9.203
53 HH2 TRP 6 HH2 TRP 6 -3.764 -3.538 -9.832
54 H GLU 7 H GLU 7 -2.301 -6.970 -2.325
55 HA GLU 7 HA GLU 7 -3.571 -6.930 0.317
56 HB2 GLU 7 HB2 GLU 7 -1.833 -9.155 -0.610
57 HB3 GLU 7 HB3 GLU 7 -1.304 -8.418 0.884
58 HG2 GLU 7 HG2 GLU 7 -4.015 -9.672 0.371
59 HG3 GLU 7 HG3 GLU 7 -2.740 -10.250 1.437
60 H LYS 8 H LYS 8 -2.180 -6.273 2.059
61 HA LYS 8 HA LYS 8 -0.488 -3.952 1.292
62 HB2 LYS 8 HB2 LYS 8 -2.153 -3.892 3.185
63 HB3 LYS 8 HB3 LYS 8 -1.174 -5.092 4.038
64 HG2 LYS 8 HG2 LYS 8 0.787 -3.426 3.879
65 HG3 LYS 8 HG3 LYS 8 -0.372 -2.237 3.292
66 HD2 LYS 8 HD2 LYS 8 -0.412 -3.692 5.969
67 HD3 LYS 8 HD3 LYS 8 0.066 -2.016 5.725
68 HE2 LYS 8 HE2 LYS 8 -2.712 -3.075 5.051
69 HE3 LYS 8 HE3 LYS 8 -2.296 -2.453 6.648
70 HZ1 LYS 8 HZ1 LYS 8 -3.335 -0.873 4.978
71 HZ2 LYS 8 HZ2 LYS 8 -2.006 -0.314 5.790
72 HZ3 LYS 8 HZ3 LYS 8 -1.885 -0.794 4.230
73 H ARG 9 H ARG 9 1.704 -3.907 1.352
74 HA ARG 9 HA ARG 9 3.295 -6.137 2.569
75 HB2 ARG 9 HB2 ARG 9 3.925 -4.679 -0.006
76 HB3 ARG 9 HB3 ARG 9 4.875 -5.982 0.691
77 HG2 ARG 9 HG2 ARG 9 2.189 -6.223 -0.671
78 HG3 ARG 9 HG3 ARG 9 3.765 -6.597 -1.333
79 HD2 ARG 9 HD2 ARG 9 2.825 -8.661 -0.862
80 HD3 ARG 9 HD3 ARG 9 4.102 -8.399 0.339
81 HE ARG 9 HE ARG 9 1.851 -7.482 1.622
82 HH11 ARG 9 HH12 ARG 9 2.384 -10.596 0.120
83 HH12 ARG 9 HH11 ARG 9 1.236 -11.381 1.177
84 HH21 ARG 9 HH22 ARG 9 0.493 -8.394 2.829
85 HH22 ARG 9 HH21 ARG 9 0.141 -10.121 2.768
86 H MET 10 H MET 10 5.709 -5.347 2.591
87 HA MET 10 HA MET 10 6.094 -2.499 2.611
88 HB2 MET 10 HB2 MET 10 6.915 -2.298 4.889
89 HB3 MET 10 HB3 MET 10 5.235 -2.830 4.899
90 HG2 MET 10 HG2 MET 10 6.011 -5.179 5.278
91 HG3 MET 10 HG3 MET 10 7.672 -4.575 5.389
92 HE1 MET 10 HE1 MET 10 7.998 -5.734 7.709
93 HE2 MET 10 HE2 MET 10 6.882 -5.545 9.080
94 HE3 MET 10 HE3 MET 10 6.342 -6.379 7.606
95 H PHE 11 H PHE 11 8.111 -1.953 2.151
96 HA PHE 11 HA PHE 11 10.102 -3.937 1.382
97 HB2 PHE 11 HB2 PHE 11 10.001 -0.896 1.431
98 HB3 PHE 11 HB3 PHE 11 11.405 -1.807 0.912
99 HD1 PHE 11 HD1 PHE 11 11.037 -3.643 -0.917
100 HD2 PHE 11 HD2 PHE 11 8.423 -0.266 -0.262
101 HE1 PHE 11 HE1 PHE 11 10.161 -3.880 -3.224
102 HE2 PHE 11 HE2 PHE 11 7.580 -0.514 -2.599
103 HZ PHE 11 HZ PHE 11 8.431 -2.302 -4.060
104 H ALA 12 H ALA 12 11.915 -4.557 2.596
105 HA ALA 12 HA ALA 12 12.332 -3.781 5.300
106 HB1 ALA 12 HB1 ALA 12 13.229 -5.847 4.283
107 HB2 ALA 12 HB2 ALA 12 14.297 -4.880 3.235
108 HB3 ALA 12 HB3 ALA 12 14.526 -4.870 4.997
109 H ASN 13 H ASN 13 13.230 -2.251 2.305
110 HA ASN 13 HA ASN 13 15.051 -0.247 3.293
111 HB2 ASN 13 HB2 ASN 13 15.026 -1.016 0.990
112 HB3 ASN 13 HB3 ASN 13 13.336 -0.612 0.803
113 HD21 ASN 13 HD21 ASN 13 14.236 2.732 -0.154
114 H GLY 14 H GLY 14 11.815 -0.671 4.140
115 HA2 GLY 14 HA2 GLY 14 10.681 0.635 5.621
116 HA3 GLY 14 HA3 GLY 14 11.787 1.980 5.322
117 H THR 15 H THR 15 9.263 0.130 3.396
118 HA THR 15 HA THR 15 7.664 2.564 3.205
119 HB THR 15 HB THR 15 9.119 1.492 0.784
120 HG1 THR 15 HG1 THR 15 9.610 3.386 2.391
121 HG21 THR 15 HG21 THR 15 7.758 3.077 -0.572
122 HG22 THR 15 HG22 THR 15 6.759 1.765 0.071
123 HG23 THR 15 HG23 THR 15 6.708 3.373 0.826
124 H VAL 16 H VAL 16 5.516 2.079 3.018
125 HA VAL 16 HA VAL 16 4.766 -0.787 2.786
126 HB VAL 16 HB VAL 16 3.477 1.684 3.964
127 HG11 VAL 16 HG11 VAL 16 1.978 -0.890 3.294
128 HG12 VAL 16 HG12 VAL 16 1.401 0.379 4.394
129 HG13 VAL 16 HG13 VAL 16 1.611 0.741 2.684
130 HG21 VAL 16 HG21 VAL 16 3.746 -1.170 4.988
131 HG22 VAL 16 HG22 VAL 16 4.941 0.112 5.317
132 HG23 VAL 16 HG23 VAL 16 3.283 0.263 5.926
133 H TYR 17 H TYR 17 3.362 -1.523 1.241
134 HA TYR 17 HA TYR 17 2.232 0.332 -0.732
135 HB2 TYR 17 HB2 TYR 17 3.367 -0.677 -2.643
136 HB3 TYR 17 HB3 TYR 17 4.550 -0.015 -1.533
137 HD1 TYR 17 HD1 TYR 17 5.948 -1.404 -0.152
138 HD2 TYR 17 HD2 TYR 17 3.315 -3.123 -3.105
139 HE1 TYR 17 HE1 TYR 17 7.305 -3.497 -0.136
140 HE2 TYR 17 HE2 TYR 17 4.678 -5.201 -3.122
141 HH TYR 17 HH TYR 17 6.645 -6.195 -2.374
142 H TYR 18 H TYR 18 1.116 -0.990 -2.442
143 HA TYR 18 HA TYR 18 -0.306 -3.300 -1.269
144 HB2 TYR 18 HB2 TYR 18 -1.283 -1.005 -3.004
145 HB3 TYR 18 HB3 TYR 18 -2.277 -2.351 -2.430
146 HD1 TYR 18 HD2 TYR 18 -2.363 -2.812 0.075
147 HD2 TYR 18 HD1 TYR 18 -0.805 0.884 -1.525
148 HE1 TYR 18 HE2 TYR 18 -2.697 -1.727 2.272
149 HE2 TYR 18 HE1 TYR 18 -0.868 1.868 0.705
150 HH TYR 18 HH TYR 18 -2.932 0.738 3.168
151 H PHE 19 H PHE 19 0.025 -5.129 -2.195
152 HA PHE 19 HA PHE 19 1.089 -5.271 -4.974
153 HB2 PHE 19 HB2 PHE 19 2.531 -5.877 -3.093
154 HB3 PHE 19 HB3 PHE 19 1.358 -7.087 -2.568
155 HD1 PHE 19 HD2 PHE 19 3.717 -6.161 -5.302
156 HD2 PHE 19 HD1 PHE 19 1.346 -9.285 -3.515
157 HE1 PHE 19 HE2 PHE 19 4.923 -7.832 -6.650
158 HE2 PHE 19 HE1 PHE 19 2.572 -10.977 -4.872
159 HZ PHE 19 HZ PHE 19 4.340 -10.258 -6.452
160 H ASN 20 H ASN 20 -0.156 -6.222 -6.470
161 HA ASN 20 HA ASN 20 -2.476 -7.871 -5.814
162 HB2 ASN 20 HB2 ASN 20 -2.353 -6.277 -7.745
163 HB3 ASN 20 HB3 ASN 20 -1.126 -7.300 -8.475
164 HD21 ASN 20 HD22 ASN 20 -4.383 -6.627 -8.593
165 HD22 ASN 20 HD21 ASN 20 -4.924 -8.225 -9.105
166 H HIS 21 H HIS 21 -2.002 -9.868 -4.931
167 HA HIS 21 HA HIS 21 0.450 -11.286 -5.682
168 HB2 HIS 21 HB2 HIS 21 -0.285 -12.932 -3.986
169 HB3 HIS 21 HB3 HIS 21 -0.130 -11.294 -3.388
170 HD2 HIS 21 HD2 HIS 21 -2.999 -13.683 -4.525
171 HE1 HIS 21 HE1 HIS 21 -4.506 -11.055 -1.507
172 HE2 HIS 21 HE2 HIS 21 -5.058 -13.079 -2.989
173 H ILE 22 H ILE 22 -2.000 -10.891 -7.622
174 HA ILE 22 HA ILE 22 -1.834 -13.682 -8.677
175 HB ILE 22 HB ILE 22 -3.944 -11.582 -9.301
176 HG12 ILE 22 HG12 ILE 22 -4.154 -14.073 -7.544
177 HG13 ILE 22 HG13 ILE 22 -4.162 -12.408 -6.963
178 HG21 ILE 22 HG21 ILE 22 -3.762 -14.530 -10.062
179 HG22 ILE 22 HG22 ILE 22 -5.077 -13.414 -10.494
180 HG23 ILE 22 HG23 ILE 22 -3.477 -13.166 -11.163
181 HD11 ILE 22 HD11 ILE 22 -6.254 -11.971 -8.257
182 HD12 ILE 22 HD12 ILE 22 -6.325 -13.711 -8.640
183 HD13 ILE 22 HD13 ILE 22 -6.414 -13.172 -6.960
184 H THR 23 H THR 23 -1.591 -10.176 -9.524
185 HA THR 23 HA THR 23 -0.303 -10.929 -12.101
186 HB THR 23 HB THR 23 -0.685 -8.686 -12.813
187 HG1 THR 23 HG1 THR 23 -1.771 -7.246 -11.367
188 HG21 THR 23 HG21 THR 23 -2.661 -10.215 -12.889
189 HG22 THR 23 HG22 THR 23 -3.206 -9.549 -11.335
190 HG23 THR 23 HG23 THR 23 -3.094 -8.502 -12.766
191 H ASN 24 H ASN 24 0.646 -9.663 -8.991
192 HA ASN 24 HA ASN 24 2.542 -9.073 -8.101
193 HB2 ASN 24 HB2 ASN 24 4.007 -9.082 -10.756
194 HB3 ASN 24 HB3 ASN 24 4.697 -9.068 -9.144
195 HD21 ASN 24 HD22 ASN 24 3.052 -11.042 -11.533
196 HD22 ASN 24 HD21 ASN 24 3.484 -12.590 -10.775
197 H ALA 25 H ALA 25 0.661 -7.185 -10.021
198 HA ALA 25 HA ALA 25 2.176 -4.796 -10.315
199 HB1 ALA 25 HB1 ALA 25 -0.808 -5.166 -9.808
200 HB2 ALA 25 HB2 ALA 25 -0.032 -3.699 -10.435
201 HB3 ALA 25 HB3 ALA 25 -0.001 -5.191 -11.397
202 H SER 26 H SER 26 2.874 -3.241 -8.886
203 HA SER 26 HA SER 26 2.014 -3.411 -6.036
204 HB2 SER 26 HB2 SER 26 4.305 -2.775 -5.461
205 HB3 SER 26 HB3 SER 26 4.289 -4.292 -6.373
206 HG SER 26 HG SER 26 4.550 -1.768 -7.623
207 H GLN 27 H GLN 27 0.981 -1.615 -5.362
208 HA GLN 27 HA GLN 27 1.597 1.009 -6.685
209 HB2 GLN 27 HB2 GLN 27 -0.984 0.143 -5.330
210 HB3 GLN 27 HB3 GLN 27 -0.701 1.606 -6.243
211 HG2 GLN 27 HG2 GLN 27 -1.071 -1.205 -7.213
212 HG3 GLN 27 HG3 GLN 27 -1.958 0.259 -7.658
213 HE21 GLN 27 HE22 GLN 27 -0.202 2.068 -8.748
214 HE22 GLN 27 HE21 GLN 27 0.751 1.229 -9.976
215 H PHE 28 H PHE 28 1.678 2.821 -5.428
216 HA PHE 28 HA PHE 28 2.100 2.441 -2.469
217 HB2 PHE 28 HB2 PHE 28 2.792 4.817 -4.223
218 HB3 PHE 28 HB3 PHE 28 3.128 4.646 -2.498
219 HD1 PHE 28 HD2 PHE 28 4.550 2.558 -1.738
220 HD2 PHE 28 HD1 PHE 28 4.399 4.047 -5.798
221 HE1 PHE 28 HE2 PHE 28 6.634 1.406 -2.242
222 HE2 PHE 28 HE1 PHE 28 6.501 2.837 -6.307
223 HZ PHE 28 HZ PHE 28 7.624 1.495 -4.542
224 H GLU 29 H GLU 29 0.109 3.824 -4.932
225 HA GLU 29 HA GLU 29 -1.667 5.517 -3.612
226 HB2 GLU 29 HB2 GLU 29 -2.479 3.453 -5.703
227 HB3 GLU 29 HB3 GLU 29 -3.195 5.023 -5.367
228 HG2 GLU 29 HG2 GLU 29 -2.025 5.500 -7.283
229 HG3 GLU 29 HG3 GLU 29 -0.825 5.967 -6.085
230 H ARG 30 H ARG 30 -2.617 5.128 -1.699
231 HA ARG 30 HA ARG 30 -2.941 2.462 -0.708
232 HB2 ARG 30 HB2 ARG 30 -1.978 4.316 0.519
233 HB3 ARG 30 HB3 ARG 30 -3.531 5.159 0.549
234 HG2 ARG 30 HG2 ARG 30 -3.836 2.445 1.612
235 HG3 ARG 30 HG3 ARG 30 -2.451 3.236 2.368
236 HD2 ARG 30 HD2 ARG 30 -4.345 3.646 3.745
237 HD3 ARG 30 HD3 ARG 30 -3.887 5.173 2.967
238 HE ARG 30 HE ARG 30 -5.986 3.518 1.653
239 HH11 ARG 30 HH11 ARG 30 -5.467 6.400 3.571
240 HH12 ARG 30 HH12 ARG 30 -7.045 7.038 3.166
241 HH21 ARG 30 HH21 ARG 30 -7.810 4.253 1.208
242 HH22 ARG 30 HH22 ARG 30 -8.416 5.815 1.767
243 HA PRO 31 HA PRO 31 -7.383 2.345 -1.858
244 HB2 PRO 31 HB2 PRO 31 -7.731 -0.307 -1.930
245 HB3 PRO 31 HB3 PRO 31 -6.646 0.500 -3.087
246 HG2 PRO 31 HG2 PRO 31 -5.871 -0.868 -0.505
247 HG3 PRO 31 HG3 PRO 31 -5.186 -1.139 -2.143
248 HD2 PRO 31 HD2 PRO 31 -4.108 0.564 -0.245
249 HD3 PRO 31 HD3 PRO 31 -3.917 0.799 -2.002
250 H SER 32 H SER 32 -8.573 -0.075 -0.358
251 HA SER 32 HA SER 32 -9.603 1.347 1.907
252 HB2 SER 32 HB2 SER 32 -10.927 -0.650 2.281
253 HB3 SER 32 HB3 SER 32 -10.900 -0.264 0.549
254 HG SER 32 HG SER 32 -9.225 -2.102 1.890
255 H GLY 33 H GLY 33 -7.222 1.672 2.635
256 HA2 GLY 33 HA2 GLY 33 -6.253 1.784 4.754
257 HA3 GLY 33 HA3 GLY 33 -7.020 0.269 5.220
258 H1 NAG 101 H1 NAG 34 12.053 0.834 0.032
259 H2 NAG 101 H2 NAG 34 12.589 3.126 -1.939
260 H3 NAG 101 H3 NAG 34 10.086 1.506 -1.293
261 H4 NAG 101 H4 NAG 34 11.829 1.831 -3.800
262 H5 NAG 101 H5 NAG 34 11.232 -0.541 -1.971
263 H61 NAG 101 H61 NAG 34 12.926 -1.795 -3.202
264 H62 NAG 101 H62 NAG 34 11.645 -1.302 -4.315
265 H81 NAG 101 H2M NAG 34 11.803 4.781 2.332
266 H82 NAG 101 H3M NAG 34 10.961 5.773 1.115
267 H83 NAG 101 H1M NAG 34 12.629 6.164 1.583
268 HN2 NAG 101 H2N NAG 34 10.641 3.500 0.212
269 HO3 NAG 101 H3O NAG 34 9.342 2.813 -3.182
270 HO4 NAG 101 H4O NAG 34 10.302 0.448 -4.740
271 HO6 NAG 101 H6O NAG 34 14.089 0.115 -3.860
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 -12.577 -0.053 -3.302
2 H2 LYS 1 H2 LYS 1 -12.709 1.527 -2.836
3 H3 LYS 1 H3 LYS 1 -11.655 0.507 -2.094
4 HA LYS 1 HA LYS 1 -11.488 1.373 -4.911
5 HB2 LYS 1 HB2 LYS 1 -10.939 3.254 -3.532
6 HB3 LYS 1 HB3 LYS 1 -9.924 2.281 -2.474
7 HG2 LYS 1 HG2 LYS 1 -8.568 3.665 -3.915
8 HG3 LYS 1 HG3 LYS 1 -8.268 1.964 -4.233
9 HD2 LYS 1 HD2 LYS 1 -9.852 2.181 -6.253
10 HD3 LYS 1 HD3 LYS 1 -9.835 3.927 -5.974
11 HE2 LYS 1 HE2 LYS 1 -7.362 2.183 -6.377
12 HE3 LYS 1 HE3 LYS 1 -8.162 3.052 -7.694
13 HZ1 LYS 1 HZ1 LYS 1 -7.529 5.125 -6.705
14 HZ2 LYS 1 HZ2 LYS 1 -7.093 4.411 -5.270
15 HZ3 LYS 1 HZ3 LYS 1 -6.167 4.169 -6.484
16 H LEU 2 H LEU 2 -9.720 -0.378 -2.275
17 HA LEU 2 HA LEU 2 -7.666 -1.408 -3.831
18 HB2 LEU 2 HB2 LEU 2 -7.918 -1.349 -1.360
19 HB3 LEU 2 HB3 LEU 2 -9.127 -2.621 -1.457
20 HG LEU 2 HG LEU 2 -7.430 -4.209 -2.284
21 HD11 LEU 2 HD11 LEU 2 -5.053 -3.604 -2.265
22 HD12 LEU 2 HD12 LEU 2 -5.909 -2.688 -3.497
23 HD13 LEU 2 HD13 LEU 2 -5.456 -1.905 -1.966
24 HD21 LEU 2 HD21 LEU 2 -7.800 -3.959 0.133
25 HD22 LEU 2 HD22 LEU 2 -6.113 -4.357 -0.216
26 HD23 LEU 2 HD23 LEU 2 -6.564 -2.684 0.205
27 HA PRO 3 HA PRO 3 -10.235 -4.298 -6.233
28 HB2 PRO 3 HB2 PRO 3 -7.869 -4.988 -7.846
29 HB3 PRO 3 HB3 PRO 3 -9.360 -4.159 -8.338
30 HG2 PRO 3 HG2 PRO 3 -6.934 -2.855 -8.145
31 HG3 PRO 3 HG3 PRO 3 -8.515 -2.062 -7.864
32 HD2 PRO 3 HD2 PRO 3 -6.576 -3.138 -5.814
33 HD3 PRO 3 HD3 PRO 3 -7.481 -1.595 -5.847
34 HA PRO 4 HA PRO 4 -9.377 -8.303 -4.617
35 HB2 PRO 4 HB2 PRO 4 -9.797 -10.135 -6.645
36 HB3 PRO 4 HB3 PRO 4 -11.091 -9.246 -5.787
37 HG2 PRO 4 HG2 PRO 4 -9.795 -8.552 -8.436
38 HG3 PRO 4 HG3 PRO 4 -11.543 -8.599 -8.037
39 HD2 PRO 4 HD2 PRO 4 -10.162 -6.280 -8.054
40 HD3 PRO 4 HD3 PRO 4 -11.397 -6.580 -6.796
41 H GLY 5 H GLY 5 -7.711 -9.611 -4.121
42 HA2 GLY 5 HA2 GLY 5 -5.754 -10.837 -4.335
43 HA3 GLY 5 HA3 GLY 5 -5.565 -10.271 -5.997
44 H TRP 6 H TRP 6 -5.977 -7.364 -4.606
45 HA TRP 6 HA TRP 6 -3.126 -6.839 -4.210
46 HB2 TRP 6 HB2 TRP 6 -5.585 -5.071 -4.194
47 HB3 TRP 6 HB3 TRP 6 -3.927 -4.528 -4.035
48 HD1 TRP 6 HD1 TRP 6 -6.279 -6.053 -6.621
49 HE1 TRP 6 HE1 TRP 6 -5.563 -5.253 -8.971
50 HE3 TRP 6 HE3 TRP 6 -1.877 -3.760 -5.387
51 HZ2 TRP 6 HZ2 TRP 6 -3.398 -3.760 -10.134
52 HZ3 TRP 6 HZ3 TRP 6 -0.507 -2.685 -7.135
53 HH2 TRP 6 HH2 TRP 6 -1.264 -2.628 -9.494
54 H GLU 7 H GLU 7 -2.186 -6.776 -2.206
55 HA GLU 7 HA GLU 7 -3.822 -5.864 0.095
56 HB2 GLU 7 HB2 GLU 7 -2.866 -7.763 1.470
57 HB3 GLU 7 HB3 GLU 7 -4.162 -8.153 0.344
58 HG2 GLU 7 HG2 GLU 7 -2.620 -9.174 -1.229
59 HG3 GLU 7 HG3 GLU 7 -1.227 -8.588 -0.314
60 H LYS 8 H LYS 8 -2.568 -5.329 2.025
61 HA LYS 8 HA LYS 8 -0.568 -3.479 1.288
62 HB2 LYS 8 HB2 LYS 8 -2.208 -3.335 3.223
63 HB3 LYS 8 HB3 LYS 8 -1.186 -4.463 4.099
64 HG2 LYS 8 HG2 LYS 8 0.538 -2.347 3.117
65 HG3 LYS 8 HG3 LYS 8 -0.922 -1.582 3.706
66 HD2 LYS 8 HD2 LYS 8 0.576 -1.639 5.554
67 HD3 LYS 8 HD3 LYS 8 -0.666 -2.848 5.867
68 HE2 LYS 8 HE2 LYS 8 1.292 -3.956 6.471
69 HE3 LYS 8 HE3 LYS 8 0.987 -4.577 4.847
70 HZ1 LYS 8 HZ1 LYS 8 3.305 -3.932 5.183
71 HZ2 LYS 8 HZ2 LYS 8 2.666 -2.983 4.012
72 HZ3 LYS 8 HZ3 LYS 8 2.872 -2.385 5.527
73 H ARG 9 H ARG 9 1.600 -3.516 1.230
74 HA ARG 9 HA ARG 9 3.179 -5.819 2.211
75 HB2 ARG 9 HB2 ARG 9 2.198 -5.419 -0.346
76 HB3 ARG 9 HB3 ARG 9 3.592 -4.370 -0.394
77 HG2 ARG 9 HG2 ARG 9 4.304 -6.325 -1.267
78 HG3 ARG 9 HG3 ARG 9 4.958 -6.422 0.360
79 HD2 ARG 9 HD2 ARG 9 2.950 -8.123 -1.057
80 HD3 ARG 9 HD3 ARG 9 4.135 -8.589 0.154
81 HE ARG 9 HE ARG 9 2.126 -7.105 1.500
82 HH11 ARG 9 HH11 ARG 9 1.893 -10.175 -0.364
83 HH12 ARG 9 HH12 ARG 9 0.391 -10.473 0.544
84 HH21 ARG 9 HH22 ARG 9 0.385 -7.805 2.520
85 HH22 ARG 9 HH21 ARG 9 -0.305 -9.382 1.984
86 H MET 10 H MET 10 5.632 -5.212 1.807
87 HA MET 10 HA MET 10 6.282 -2.436 2.325
88 HB2 MET 10 HB2 MET 10 7.465 -2.995 4.474
89 HB3 MET 10 HB3 MET 10 5.717 -2.896 4.574
90 HG2 MET 10 HG2 MET 10 7.122 -5.563 4.255
91 HG3 MET 10 HG3 MET 10 6.922 -4.790 5.822
92 HE1 MET 10 HE1 MET 10 4.370 -7.763 5.936
93 HE2 MET 10 HE2 MET 10 5.929 -7.735 5.080
94 HE3 MET 10 HE3 MET 10 5.789 -7.010 6.698
95 H PHE 11 H PHE 11 8.324 -1.948 1.783
96 HA PHE 11 HA PHE 11 10.110 -4.039 0.693
97 HB2 PHE 11 HB2 PHE 11 10.070 -1.028 0.645
98 HB3 PHE 11 HB3 PHE 11 11.422 -1.965 0.038
99 HD1 PHE 11 HD1 PHE 11 10.834 -3.912 -1.647
100 HD2 PHE 11 HD2 PHE 11 8.339 -0.422 -0.981
101 HE1 PHE 11 HE1 PHE 11 9.845 -4.177 -3.899
102 HE2 PHE 11 HE2 PHE 11 7.407 -0.708 -3.259
103 HZ PHE 11 HZ PHE 11 8.158 -2.552 -4.713
104 H ALA 12 H ALA 12 12.347 -4.207 1.377
105 HA ALA 12 HA ALA 12 12.752 -4.244 4.150
106 HB1 ALA 12 HB1 ALA 12 14.786 -4.314 1.878
107 HB2 ALA 12 HB2 ALA 12 15.052 -4.876 3.542
108 HB3 ALA 12 HB3 ALA 12 13.873 -5.707 2.511
109 H ASN 13 H ASN 13 13.054 -1.485 2.107
110 HA ASN 13 HA ASN 13 14.837 -0.011 3.939
111 HB2 ASN 13 HB2 ASN 13 14.571 1.811 2.293
112 HB3 ASN 13 HB3 ASN 13 15.110 0.316 1.533
113 HD21 ASN 13 HD21 ASN 13 14.316 1.427 -0.491
114 H GLY 14 H GLY 14 11.609 -0.922 4.134
115 HA2 GLY 14 HA2 GLY 14 10.168 -0.200 5.828
116 HA3 GLY 14 HA3 GLY 14 10.938 1.386 5.869
117 H THR 15 H THR 15 10.117 0.260 2.632
118 HA THR 15 HA THR 15 8.192 2.509 2.501
119 HB THR 15 HB THR 15 9.420 0.900 0.265
120 HG1 THR 15 HG1 THR 15 10.994 1.854 1.288
121 HG21 THR 15 HG21 THR 15 7.352 2.182 -0.379
122 HG22 THR 15 HG22 THR 15 8.175 3.662 0.164
123 HG23 THR 15 HG23 THR 15 8.840 2.706 -1.186
124 H VAL 16 H VAL 16 6.063 2.162 2.655
125 HA VAL 16 HA VAL 16 4.999 -0.577 2.291
126 HB VAL 16 HB VAL 16 4.018 1.920 3.696
127 HG11 VAL 16 HG11 VAL 16 1.939 0.692 4.313
128 HG12 VAL 16 HG12 VAL 16 1.984 1.107 2.602
129 HG13 VAL 16 HG13 VAL 16 2.332 -0.558 3.112
130 HG21 VAL 16 HG21 VAL 16 5.535 0.320 4.867
131 HG22 VAL 16 HG22 VAL 16 3.927 0.354 5.606
132 HG23 VAL 16 HG23 VAL 16 4.382 -0.991 4.528
133 H TYR 17 H TYR 17 3.394 -1.120 0.951
134 HA TYR 17 HA TYR 17 2.181 0.707 -0.966
135 HB2 TYR 17 HB2 TYR 17 3.162 -0.435 -2.916
136 HB3 TYR 17 HB3 TYR 17 4.432 0.265 -1.936
137 HD1 TYR 17 HD1 TYR 17 5.806 -1.123 -0.410
138 HD2 TYR 17 HD2 TYR 17 3.248 -2.878 -3.410
139 HE1 TYR 17 HE1 TYR 17 7.169 -3.170 -0.377
140 HE2 TYR 17 HE2 TYR 17 4.709 -4.897 -3.432
141 HH TYR 17 HH TYR 17 7.605 -5.168 -1.402
142 H TYR 18 H TYR 18 0.716 -0.747 -2.427
143 HA TYR 18 HA TYR 18 -0.081 -3.292 -1.105
144 HB2 TYR 18 HB2 TYR 18 -1.588 -1.338 -2.871
145 HB3 TYR 18 HB3 TYR 18 -2.163 -2.976 -2.549
146 HD1 TYR 18 HD1 TYR 18 -0.871 0.047 -0.684
147 HD2 TYR 18 HD2 TYR 18 -3.573 -3.321 -0.677
148 HE1 TYR 18 HE1 TYR 18 -1.422 0.533 1.548
149 HE2 TYR 18 HE2 TYR 18 -4.498 -2.542 1.488
150 HH TYR 18 HH TYR 18 -4.452 -0.047 2.704
151 H PHE 19 H PHE 19 -0.076 -5.179 -2.133
152 HA PHE 19 HA PHE 19 1.182 -5.278 -4.843
153 HB2 PHE 19 HB2 PHE 19 2.703 -5.739 -2.956
154 HB3 PHE 19 HB3 PHE 19 1.608 -6.980 -2.372
155 HD1 PHE 19 HD2 PHE 19 3.649 -6.031 -5.399
156 HD2 PHE 19 HD1 PHE 19 1.871 -9.220 -3.103
157 HE1 PHE 19 HE2 PHE 19 4.860 -7.698 -6.772
158 HE2 PHE 19 HE1 PHE 19 3.104 -10.889 -4.482
159 HZ PHE 19 HZ PHE 19 4.586 -10.130 -6.319
160 H ASN 20 H ASN 20 0.122 -6.452 -6.315
161 HA ASN 20 HA ASN 20 -2.134 -8.153 -5.499
162 HB2 ASN 20 HB2 ASN 20 -2.278 -6.595 -7.474
163 HB3 ASN 20 HB3 ASN 20 -1.114 -7.618 -8.294
164 HD21 ASN 20 HD22 ASN 20 -4.425 -7.137 -7.709
165 HD22 ASN 20 HD21 ASN 20 -5.004 -8.739 -8.080
166 H HIS 21 H HIS 21 -1.357 -10.025 -4.536
167 HA HIS 21 HA HIS 21 1.006 -11.313 -5.713
168 HB2 HIS 21 HB2 HIS 21 0.816 -13.002 -3.992
169 HB3 HIS 21 HB3 HIS 21 0.886 -11.368 -3.382
170 HD2 HIS 21 HD2 HIS 21 -2.696 -11.873 -4.240
171 HE1 HIS 21 HE1 HIS 21 -2.265 -12.987 -0.150
172 HE2 HIS 21 HE2 HIS 21 -3.920 -12.336 -1.939
173 H ILE 22 H ILE 22 -1.905 -11.219 -7.107
174 HA ILE 22 HA ILE 22 -1.761 -14.021 -8.093
175 HB ILE 22 HB ILE 22 -3.781 -11.901 -8.898
176 HG12 ILE 22 HG12 ILE 22 -4.054 -13.986 -6.684
177 HG13 ILE 22 HG13 ILE 22 -3.980 -12.237 -6.455
178 HG21 ILE 22 HG21 ILE 22 -3.460 -13.843 -10.431
179 HG22 ILE 22 HG22 ILE 22 -3.834 -14.942 -9.089
180 HG23 ILE 22 HG23 ILE 22 -5.062 -13.819 -9.718
181 HD11 ILE 22 HD11 ILE 22 -6.091 -11.991 -7.781
182 HD12 ILE 22 HD12 ILE 22 -6.239 -13.768 -7.777
183 HD13 ILE 22 HD13 ILE 22 -6.260 -12.877 -6.251
184 H THR 23 H THR 23 -1.417 -10.587 -9.140
185 HA THR 23 HA THR 23 -0.360 -11.503 -11.770
186 HB THR 23 HB THR 23 -0.720 -9.267 -12.545
187 HG1 THR 23 HG1 THR 23 -1.662 -7.749 -11.101
188 HG21 THR 23 HG21 THR 23 -3.157 -10.019 -10.877
189 HG22 THR 23 HG22 THR 23 -3.118 -9.031 -12.352
190 HG23 THR 23 HG23 THR 23 -2.729 -10.758 -12.435
191 H ASN 24 H ASN 24 0.840 -10.089 -8.828
192 HA ASN 24 HA ASN 24 2.837 -9.549 -8.091
193 HB2 ASN 24 HB2 ASN 24 4.087 -9.697 -10.852
194 HB3 ASN 24 HB3 ASN 24 4.905 -9.605 -9.304
195 HD21 ASN 24 HD22 ASN 24 3.056 -11.690 -11.439
196 HD22 ASN 24 HD21 ASN 24 3.546 -13.197 -10.634
197 H ALA 25 H ALA 25 0.787 -7.712 -9.800
198 HA ALA 25 HA ALA 25 2.372 -5.368 -10.332
199 HB1 ALA 25 HB1 ALA 25 0.204 -4.257 -10.536
200 HB2 ALA 25 HB2 ALA 25 0.158 -5.831 -11.345
201 HB3 ALA 25 HB3 ALA 25 -0.607 -5.630 -9.748
202 H SER 26 H SER 26 2.404 -3.325 -9.161
203 HA SER 26 HA SER 26 1.921 -3.468 -6.233
204 HB2 SER 26 HB2 SER 26 4.148 -2.513 -5.854
205 HB3 SER 26 HB3 SER 26 4.268 -4.089 -6.642
206 HG SER 26 HG SER 26 4.151 -1.689 -8.146
207 H GLN 27 H GLN 27 1.117 -1.621 -5.369
208 HA GLN 27 HA GLN 27 1.154 0.924 -6.925
209 HB2 GLN 27 HB2 GLN 27 -0.966 -0.060 -7.366
210 HB3 GLN 27 HB3 GLN 27 -1.133 -0.651 -5.715
211 HG2 GLN 27 HG2 GLN 27 -2.696 1.125 -6.101
212 HG3 GLN 27 HG3 GLN 27 -1.536 1.584 -4.871
213 HE21 GLN 27 HE22 GLN 27 -3.249 3.571 -6.400
214 HE22 GLN 27 HE21 GLN 27 -2.061 4.381 -7.409
215 H PHE 28 H PHE 28 1.927 2.605 -5.732
216 HA PHE 28 HA PHE 28 2.605 2.173 -2.926
217 HB2 PHE 28 HB2 PHE 28 3.057 4.453 -4.872
218 HB3 PHE 28 HB3 PHE 28 3.521 4.547 -3.176
219 HD1 PHE 28 HD2 PHE 28 4.969 2.638 -2.196
220 HD2 PHE 28 HD1 PHE 28 4.618 3.466 -6.415
221 HE1 PHE 28 HE2 PHE 28 7.112 1.468 -2.604
222 HE2 PHE 28 HE1 PHE 28 6.767 2.294 -6.819
223 HZ PHE 28 HZ PHE 28 8.026 1.302 -4.915
224 H GLU 29 H GLU 29 -0.188 3.482 -4.401
225 HA GLU 29 HA GLU 29 -1.088 5.319 -2.388
226 HB2 GLU 29 HB2 GLU 29 -2.124 4.996 -4.607
227 HB3 GLU 29 HB3 GLU 29 -2.548 3.335 -4.150
228 HG2 GLU 29 HG2 GLU 29 -4.039 4.286 -2.355
229 HG3 GLU 29 HG3 GLU 29 -3.758 5.878 -3.075
230 H ARG 30 H ARG 30 -2.140 4.956 -0.427
231 HA ARG 30 HA ARG 30 -2.381 2.164 0.538
232 HB2 ARG 30 HB2 ARG 30 -0.682 3.373 1.724
233 HB3 ARG 30 HB3 ARG 30 -1.789 4.714 2.060
234 HG2 ARG 30 HG2 ARG 30 -3.168 3.257 3.500
235 HG3 ARG 30 HG3 ARG 30 -2.155 1.867 3.103
236 HD2 ARG 30 HD2 ARG 30 -0.210 2.979 4.147
237 HD3 ARG 30 HD3 ARG 30 -1.233 4.386 4.526
238 HE ARG 30 HE ARG 30 -2.397 1.956 5.533
239 HH11 ARG 30 HH21 ARG 30 0.126 4.231 6.320
240 HH12 ARG 30 HH22 ARG 30 0.040 3.938 8.037
241 HH21 ARG 30 HH11 ARG 30 -2.507 1.589 7.745
242 HH22 ARG 30 HH12 ARG 30 -1.451 2.452 8.819
243 HA PRO 31 HA PRO 31 -6.751 3.431 0.743
244 HB2 PRO 31 HB2 PRO 31 -7.893 1.328 -0.488
245 HB3 PRO 31 HB3 PRO 31 -7.039 2.580 -1.441
246 HG2 PRO 31 HG2 PRO 31 -6.011 -0.124 -0.555
247 HG3 PRO 31 HG3 PRO 31 -5.875 0.637 -2.174
248 HD2 PRO 31 HD2 PRO 31 -3.954 0.690 -0.151
249 HD3 PRO 31 HD3 PRO 31 -3.992 1.846 -1.483
250 H SER 32 H SER 32 -8.476 2.376 2.027
251 HA SER 32 HA SER 32 -7.554 0.331 3.962
252 HB2 SER 32 HB2 SER 32 -9.548 1.164 5.237
253 HB3 SER 32 HB3 SER 32 -8.305 2.398 4.945
254 HG SER 32 HG SER 32 -10.495 3.085 4.479
255 H GLY 33 H GLY 33 -9.355 0.489 1.067
256 HA2 GLY 33 HA2 GLY 33 -10.314 -2.076 0.896
257 HA3 GLY 33 HA3 GLY 33 -11.618 -1.133 1.648
258 H1 NAG 101 H1 NAG 34 11.534 0.455 -0.863
259 H2 NAG 101 H2 NAG 34 12.968 2.388 -2.756
260 H3 NAG 101 H3 NAG 34 10.216 1.037 -2.667
261 H4 NAG 101 H4 NAG 34 12.558 0.892 -4.605
262 H5 NAG 101 H5 NAG 34 11.402 -1.202 -2.731
263 H61 NAG 101 H61 NAG 34 13.173 -2.666 -3.314
264 H62 NAG 101 H62 NAG 34 12.568 -2.069 -4.862
265 H81 NAG 101 H2M NAG 34 9.887 5.416 -0.851
266 H82 NAG 101 H3M NAG 34 11.145 6.502 -1.483
267 H83 NAG 101 H1M NAG 34 11.495 5.455 -0.091
268 HN2 NAG 101 H2N NAG 34 11.215 3.031 -0.524
269 HO3 NAG 101 H3O NAG 34 10.935 3.378 -3.881
270 HO4 NAG 101 H4O NAG 34 10.309 0.739 -5.281
271 HO6 NAG 101 H6O NAG 34 14.683 -0.838 -3.395
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 -6.289 2.507 -2.619
2 H2 LYS 1 H2 LYS 1 -6.948 3.960 -2.996
3 H3 LYS 1 H3 LYS 1 -6.660 2.883 -4.198
4 HA LYS 1 HA LYS 1 -8.373 1.984 -2.041
5 HB2 LYS 1 HB2 LYS 1 -9.482 3.524 -4.421
6 HB3 LYS 1 HB3 LYS 1 -10.365 2.886 -3.030
7 HG2 LYS 1 HG2 LYS 1 -8.375 5.199 -3.046
8 HG3 LYS 1 HG3 LYS 1 -10.109 5.329 -2.887
9 HD2 LYS 1 HD2 LYS 1 -10.148 4.594 -0.689
10 HD3 LYS 1 HD3 LYS 1 -8.635 3.706 -0.793
11 HE2 LYS 1 HE2 LYS 1 -8.642 6.729 -1.061
12 HE3 LYS 1 HE3 LYS 1 -8.704 5.942 0.524
13 HZ1 LYS 1 HZ1 LYS 1 -6.491 5.599 -1.456
14 HZ2 LYS 1 HZ2 LYS 1 -6.418 6.278 0.066
15 HZ3 LYS 1 HZ3 LYS 1 -6.686 4.717 -0.063
16 H LEU 2 H LEU 2 -8.796 -0.245 -2.595
17 HA LEU 2 HA LEU 2 -8.435 -0.969 -5.410
18 HB2 LEU 2 HB2 LEU 2 -6.525 -2.443 -4.963
19 HB3 LEU 2 HB3 LEU 2 -6.182 -0.757 -4.690
20 HG LEU 2 HG LEU 2 -6.324 -1.183 -2.168
21 HD11 LEU 2 HD11 LEU 2 -6.923 -3.951 -3.150
22 HD12 LEU 2 HD12 LEU 2 -5.917 -3.748 -1.703
23 HD13 LEU 2 HD13 LEU 2 -7.556 -3.086 -1.754
24 HD21 LEU 2 HD21 LEU 2 -4.237 -1.031 -3.367
25 HD22 LEU 2 HD22 LEU 2 -4.186 -2.238 -2.090
26 HD23 LEU 2 HD23 LEU 2 -4.326 -2.751 -3.789
27 HA PRO 3 HA PRO 3 -11.044 -4.352 -4.245
28 HB2 PRO 3 HB2 PRO 3 -10.998 -5.880 -6.482
29 HB3 PRO 3 HB3 PRO 3 -11.535 -4.174 -6.547
30 HG2 PRO 3 HG2 PRO 3 -8.770 -5.283 -7.171
31 HG3 PRO 3 HG3 PRO 3 -9.787 -4.221 -8.199
32 HD2 PRO 3 HD2 PRO 3 -7.847 -3.245 -6.525
33 HD3 PRO 3 HD3 PRO 3 -9.355 -2.350 -6.870
34 HA PRO 4 HA PRO 4 -9.034 -8.111 -2.739
35 HB2 PRO 4 HB2 PRO 4 -11.086 -9.596 -4.395
36 HB3 PRO 4 HB3 PRO 4 -10.575 -9.897 -2.703
37 HG2 PRO 4 HG2 PRO 4 -12.892 -8.591 -3.206
38 HG3 PRO 4 HG3 PRO 4 -11.789 -7.986 -1.924
39 HD2 PRO 4 HD2 PRO 4 -12.112 -6.979 -4.756
40 HD3 PRO 4 HD3 PRO 4 -11.970 -6.050 -3.231
41 H GLY 5 H GLY 5 -7.401 -9.460 -3.412
42 HA2 GLY 5 HA2 GLY 5 -6.294 -10.809 -5.193
43 HA3 GLY 5 HA3 GLY 5 -6.749 -9.540 -6.339
44 H TRP 6 H TRP 6 -6.189 -7.383 -4.250
45 HA TRP 6 HA TRP 6 -3.243 -7.288 -4.400
46 HB2 TRP 6 HB2 TRP 6 -5.380 -5.339 -3.573
47 HB3 TRP 6 HB3 TRP 6 -3.663 -5.003 -3.527
48 HD1 TRP 6 HD1 TRP 6 -6.488 -5.632 -6.052
49 HE1 TRP 6 HE1 TRP 6 -5.922 -4.444 -8.269
50 HE3 TRP 6 HE3 TRP 6 -1.742 -4.077 -4.955
51 HZ2 TRP 6 HZ2 TRP 6 -3.677 -3.052 -9.425
52 HZ3 TRP 6 HZ3 TRP 6 -0.404 -2.847 -6.631
53 HH2 TRP 6 HH2 TRP 6 -1.356 -2.320 -8.863
54 H GLU 7 H GLU 7 -1.936 -7.330 -2.593
55 HA GLU 7 HA GLU 7 -3.206 -7.654 0.083
56 HB2 GLU 7 HB2 GLU 7 -2.224 -9.707 -1.532
57 HB3 GLU 7 HB3 GLU 7 -0.842 -9.339 -0.522
58 HG2 GLU 7 HG2 GLU 7 -3.658 -9.925 0.517
59 HG3 GLU 7 HG3 GLU 7 -2.393 -11.143 0.325
60 H LYS 8 H LYS 8 -1.777 -7.221 1.897
61 HA LYS 8 HA LYS 8 -0.361 -4.722 1.386
62 HB2 LYS 8 HB2 LYS 8 -0.454 -4.406 3.740
63 HB3 LYS 8 HB3 LYS 8 -1.966 -5.164 3.257
64 HG2 LYS 8 HG2 LYS 8 -0.788 -7.421 3.966
65 HG3 LYS 8 HG3 LYS 8 0.377 -6.369 4.760
66 HD2 LYS 8 HD2 LYS 8 -1.204 -7.001 6.418
67 HD3 LYS 8 HD3 LYS 8 -1.509 -5.308 6.038
68 HE2 LYS 8 HE2 LYS 8 -3.621 -6.459 6.265
69 HE3 LYS 8 HE3 LYS 8 -3.416 -5.989 4.574
70 HZ1 LYS 8 HZ1 LYS 8 -4.216 -8.293 4.855
71 HZ2 LYS 8 HZ2 LYS 8 -2.818 -8.248 4.025
72 HZ3 LYS 8 HZ3 LYS 8 -2.801 -8.704 5.601
73 H ARG 9 H ARG 9 1.817 -4.206 1.493
74 HA ARG 9 HA ARG 9 3.782 -6.257 2.428
75 HB2 ARG 9 HB2 ARG 9 3.834 -4.776 -0.211
76 HB3 ARG 9 HB3 ARG 9 5.115 -5.846 0.363
77 HG2 ARG 9 HG2 ARG 9 2.376 -6.640 -0.608
78 HG3 ARG 9 HG3 ARG 9 3.918 -6.891 -1.407
79 HD2 ARG 9 HD2 ARG 9 4.717 -8.462 0.140
80 HD3 ARG 9 HD3 ARG 9 3.461 -8.108 1.298
81 HE ARG 9 HE ARG 9 3.116 -9.592 -1.277
82 HH11 ARG 9 HH21 ARG 9 1.649 -8.781 1.830
83 HH12 ARG 9 HH22 ARG 9 0.532 -10.106 1.786
84 HH21 ARG 9 HH12 ARG 9 1.592 -11.294 -1.291
85 HH22 ARG 9 HH11 ARG 9 0.537 -11.438 0.097
86 H MET 10 H MET 10 6.063 -5.321 2.252
87 HA MET 10 HA MET 10 6.324 -2.450 2.423
88 HB2 MET 10 HB2 MET 10 7.294 -2.367 4.607
89 HB3 MET 10 HB3 MET 10 5.692 -3.075 4.750
90 HG2 MET 10 HG2 MET 10 8.306 -4.631 4.789
91 HG3 MET 10 HG3 MET 10 7.388 -4.132 6.198
92 HE1 MET 10 HE1 MET 10 7.600 -6.622 7.072
93 HE2 MET 10 HE2 MET 10 7.042 -8.038 6.151
94 HE3 MET 10 HE3 MET 10 8.433 -7.095 5.570
95 H PHE 11 H PHE 11 8.314 -1.769 1.850
96 HA PHE 11 HA PHE 11 10.262 -3.680 0.773
97 HB2 PHE 11 HB2 PHE 11 10.039 -0.679 0.876
98 HB3 PHE 11 HB3 PHE 11 11.450 -1.494 0.228
99 HD1 PHE 11 HD1 PHE 11 11.045 -3.336 -1.583
100 HD2 PHE 11 HD2 PHE 11 8.217 -0.179 -0.670
101 HE1 PHE 11 HE1 PHE 11 10.053 -3.558 -3.842
102 HE2 PHE 11 HE2 PHE 11 7.274 -0.417 -2.958
103 HZ PHE 11 HZ PHE 11 8.192 -2.067 -4.532
104 H ALA 12 H ALA 12 12.564 -3.636 1.385
105 HA ALA 12 HA ALA 12 13.019 -3.895 4.142
106 HB1 ALA 12 HB1 ALA 12 15.005 -3.520 1.858
107 HB2 ALA 12 HB2 ALA 12 15.365 -4.202 3.457
108 HB3 ALA 12 HB3 ALA 12 14.268 -5.061 2.362
109 H ASN 13 H ASN 13 12.962 -0.945 2.369
110 HA ASN 13 HA ASN 13 14.574 0.554 4.343
111 HB2 ASN 13 HB2 ASN 13 14.123 2.467 2.841
112 HB3 ASN 13 HB3 ASN 13 14.843 1.109 1.979
113 HD21 ASN 13 HD21 ASN 13 13.959 2.235 0.008
114 H GLY 14 H GLY 14 11.472 -0.725 4.394
115 HA2 GLY 14 HA2 GLY 14 9.918 -0.330 6.077
116 HA3 GLY 14 HA3 GLY 14 10.515 1.316 6.306
117 H THR 15 H THR 15 9.825 0.390 2.944
118 HA THR 15 HA THR 15 7.732 2.494 2.984
119 HB THR 15 HB THR 15 9.128 1.202 0.643
120 HG1 THR 15 HG1 THR 15 10.588 2.214 1.784
121 HG21 THR 15 HG21 THR 15 7.640 3.844 0.747
122 HG22 THR 15 HG22 THR 15 8.382 3.052 -0.669
123 HG23 THR 15 HG23 THR 15 6.944 2.349 0.089
124 H VAL 16 H VAL 16 5.627 1.931 3.082
125 HA VAL 16 HA VAL 16 4.901 -0.892 2.660
126 HB VAL 16 HB VAL 16 3.694 1.476 4.086
127 HG11 VAL 16 HG11 VAL 16 1.702 0.115 4.676
128 HG12 VAL 16 HG12 VAL 16 1.714 0.562 2.971
129 HG13 VAL 16 HG13 VAL 16 2.168 -1.091 3.458
130 HG21 VAL 16 HG21 VAL 16 5.329 -0.108 5.184
131 HG22 VAL 16 HG22 VAL 16 3.742 -0.070 5.972
132 HG23 VAL 16 HG23 VAL 16 4.156 -1.422 4.899
133 H TYR 17 H TYR 17 3.433 -1.669 1.250
134 HA TYR 17 HA TYR 17 1.994 0.128 -0.587
135 HB2 TYR 17 HB2 TYR 17 3.061 -0.848 -2.585
136 HB3 TYR 17 HB3 TYR 17 4.256 -0.080 -1.583
137 HD1 TYR 17 HD1 TYR 17 5.874 -1.326 -0.280
138 HD2 TYR 17 HD2 TYR 17 3.206 -3.376 -2.991
139 HE1 TYR 17 HE1 TYR 17 7.410 -3.242 -0.331
140 HE2 TYR 17 HE2 TYR 17 4.758 -5.330 -3.014
141 HH TYR 17 HH TYR 17 7.838 -5.307 -1.236
142 H TYR 18 H TYR 18 0.645 -1.233 -2.105
143 HA TYR 18 HA TYR 18 0.059 -3.962 -1.111
144 HB2 TYR 18 HB2 TYR 18 -1.595 -1.874 -2.537
145 HB3 TYR 18 HB3 TYR 18 -2.046 -3.581 -2.545
146 HD1 TYR 18 HD2 TYR 18 -1.071 -0.829 -0.172
147 HD2 TYR 18 HD1 TYR 18 -3.259 -4.516 -0.737
148 HE1 TYR 18 HE2 TYR 18 -1.530 -0.860 2.122
149 HE2 TYR 18 HE1 TYR 18 -4.102 -4.331 1.577
150 HH TYR 18 HH TYR 18 -2.817 -1.870 3.862
151 H PHE 19 H PHE 19 -0.068 -5.647 -2.361
152 HA PHE 19 HA PHE 19 1.273 -5.582 -5.018
153 HB2 PHE 19 HB2 PHE 19 2.633 -6.260 -3.114
154 HB3 PHE 19 HB3 PHE 19 1.460 -7.495 -2.665
155 HD1 PHE 19 HD2 PHE 19 1.229 -9.571 -4.021
156 HD2 PHE 19 HD1 PHE 19 4.140 -6.535 -4.989
157 HE1 PHE 19 HE2 PHE 19 2.466 -11.198 -5.441
158 HE2 PHE 19 HE1 PHE 19 5.370 -8.132 -6.368
159 HZ PHE 19 HZ PHE 19 4.527 -10.490 -6.628
160 H ASN 20 H ASN 20 -0.128 -6.151 -6.566
161 HA ASN 20 HA ASN 20 -2.481 -7.784 -6.182
162 HB2 ASN 20 HB2 ASN 20 -2.177 -5.996 -7.934
163 HB3 ASN 20 HB3 ASN 20 -0.993 -7.024 -8.708
164 HD21 ASN 20 HD22 ASN 20 -4.455 -6.640 -7.949
165 HD22 ASN 20 HD21 ASN 20 -4.949 -7.960 -9.005
166 H HIS 21 H HIS 21 -2.052 -9.857 -5.367
167 HA HIS 21 HA HIS 21 0.252 -11.356 -6.325
168 HB2 HIS 21 HB2 HIS 21 -0.510 -13.105 -4.843
169 HB3 HIS 21 HB3 HIS 21 -0.506 -11.550 -4.036
170 HD2 HIS 21 HD2 HIS 21 -3.194 -13.760 -5.859
171 HE1 HIS 21 HE1 HIS 21 -4.995 -11.937 -2.447
172 HE2 HIS 21 HE2 HIS 21 -5.382 -13.535 -4.408
173 H ILE 22 H ILE 22 -2.406 -10.656 -8.104
174 HA ILE 22 HA ILE 22 -2.595 -13.331 -9.380
175 HB ILE 22 HB ILE 22 -4.171 -10.782 -9.925
176 HG12 ILE 22 HG12 ILE 22 -4.967 -13.228 -8.279
177 HG13 ILE 22 HG13 ILE 22 -4.595 -11.636 -7.621
178 HG21 ILE 22 HG21 ILE 22 -5.720 -12.277 -11.154
179 HG22 ILE 22 HG22 ILE 22 -4.125 -12.303 -11.865
180 HG23 ILE 22 HG23 ILE 22 -4.642 -13.655 -10.835
181 HD11 ILE 22 HD11 ILE 22 -6.996 -12.333 -9.326
182 HD12 ILE 22 HD12 ILE 22 -6.950 -11.840 -7.632
183 HD13 ILE 22 HD13 ILE 22 -6.517 -10.670 -8.893
184 H THR 23 H THR 23 -0.990 -10.266 -9.662
185 HA THR 23 HA THR 23 0.027 -10.963 -12.408
186 HB THR 23 HB THR 23 -0.037 -8.545 -12.922
187 HG1 THR 23 HG1 THR 23 -1.592 -8.334 -10.567
188 HG21 THR 23 HG21 THR 23 -1.973 -9.935 -13.602
189 HG22 THR 23 HG22 THR 23 -2.788 -9.553 -12.072
190 HG23 THR 23 HG23 THR 23 -2.428 -8.261 -13.236
191 H ASN 24 H ASN 24 0.869 -9.794 -9.220
192 HA ASN 24 HA ASN 24 2.734 -9.360 -8.196
193 HB2 ASN 24 HB2 ASN 24 4.366 -9.394 -10.754
194 HB3 ASN 24 HB3 ASN 24 4.953 -9.435 -9.104
195 HD21 ASN 24 HD22 ASN 24 3.388 -11.294 -11.626
196 HD22 ASN 24 HD21 ASN 24 3.727 -12.874 -10.885
197 H ALA 25 H ALA 25 0.980 -7.335 -10.062
198 HA ALA 25 HA ALA 25 2.718 -5.066 -10.294
199 HB1 ALA 25 HB1 ALA 25 -0.319 -5.205 -10.038
200 HB2 ALA 25 HB2 ALA 25 0.625 -3.825 -10.629
201 HB3 ALA 25 HB3 ALA 25 0.603 -5.341 -11.551
202 H SER 26 H SER 26 3.441 -3.618 -8.759
203 HA SER 26 HA SER 26 2.265 -3.708 -6.026
204 HB2 SER 26 HB2 SER 26 4.492 -2.987 -5.275
205 HB3 SER 26 HB3 SER 26 4.568 -4.532 -6.130
206 HG SER 26 HG SER 26 4.902 -2.043 -7.452
207 H GLN 27 H GLN 27 1.351 -1.833 -5.231
208 HA GLN 27 HA GLN 27 2.313 0.750 -6.293
209 HB2 GLN 27 HB2 GLN 27 0.391 0.046 -7.711
210 HB3 GLN 27 HB3 GLN 27 -0.627 -0.063 -6.276
211 HG2 GLN 27 HG2 GLN 27 -0.990 2.015 -7.583
212 HG3 GLN 27 HG3 GLN 27 -0.489 2.348 -5.934
213 HE21 GLN 27 HE22 GLN 27 0.475 2.641 -9.374
214 HE22 GLN 27 HE21 GLN 27 1.902 3.582 -8.968
215 H PHE 28 H PHE 28 2.038 2.502 -4.956
216 HA PHE 28 HA PHE 28 2.133 1.877 -2.132
217 HB2 PHE 28 HB2 PHE 28 2.348 4.507 -3.641
218 HB3 PHE 28 HB3 PHE 28 2.794 4.243 -1.956
219 HD1 PHE 28 HD2 PHE 28 4.486 2.295 -1.479
220 HD2 PHE 28 HD1 PHE 28 4.054 4.257 -5.297
221 HE1 PHE 28 HE2 PHE 28 6.760 1.573 -2.111
222 HE2 PHE 28 HE1 PHE 28 6.338 3.519 -5.928
223 HZ PHE 28 HZ PHE 28 7.702 2.182 -4.335
224 H GLU 29 H GLU 29 -0.585 2.343 -3.952
225 HA GLU 29 HA GLU 29 -2.084 3.922 -1.959
226 HB2 GLU 29 HB2 GLU 29 -2.474 3.275 -4.755
227 HB3 GLU 29 HB3 GLU 29 -3.855 2.692 -3.840
228 HG2 GLU 29 HG2 GLU 29 -2.759 5.529 -3.576
229 HG3 GLU 29 HG3 GLU 29 -4.010 5.062 -4.731
230 H ARG 30 H ARG 30 -3.975 3.060 -0.976
231 HA ARG 30 HA ARG 30 -3.610 0.246 -0.036
232 HB2 ARG 30 HB2 ARG 30 -4.516 2.649 1.595
233 HB3 ARG 30 HB3 ARG 30 -4.216 1.008 2.155
234 HG2 ARG 30 HG2 ARG 30 -2.502 2.358 2.979
235 HG3 ARG 30 HG3 ARG 30 -1.829 1.246 1.801
236 HD2 ARG 30 HD2 ARG 30 -0.791 3.465 1.752
237 HD3 ARG 30 HD3 ARG 30 -1.484 2.983 0.216
238 HE ARG 30 HE ARG 30 -3.337 4.622 1.800
239 HH11 ARG 30 HH11 ARG 30 -0.553 4.903 -0.387
240 HH12 ARG 30 HH12 ARG 30 -0.907 6.589 -0.694
241 HH21 ARG 30 HH21 ARG 30 -3.882 6.598 1.087
242 HH22 ARG 30 HH22 ARG 30 -2.771 7.538 0.117
243 HA PRO 31 HA PRO 31 -7.939 -0.568 -0.782
244 HB2 PRO 31 HB2 PRO 31 -8.353 -1.367 2.065
245 HB3 PRO 31 HB3 PRO 31 -8.715 -2.277 0.574
246 HG2 PRO 31 HG2 PRO 31 -6.541 -2.825 2.174
247 HG3 PRO 31 HG3 PRO 31 -6.505 -3.044 0.408
248 HD2 PRO 31 HD2 PRO 31 -5.315 -0.858 2.057
249 HD3 PRO 31 HD3 PRO 31 -4.750 -1.560 0.507
250 H SER 32 H SER 32 -7.432 0.715 2.180
251 HA SER 32 HA SER 32 -9.622 2.774 2.184
252 HB2 SER 32 HB2 SER 32 -9.395 1.220 4.147
253 HB3 SER 32 HB3 SER 32 -7.823 1.965 4.503
254 HG SER 32 HG SER 32 -9.691 2.876 5.627
255 H GLY 33 H GLY 33 -8.386 4.551 3.914
256 HA2 GLY 33 HA2 GLY 33 -7.435 6.744 2.933
257 HA3 GLY 33 HA3 GLY 33 -6.572 6.030 4.290
258 H1 NAG 101 H1 NAG 34 11.287 1.023 -0.463
259 H2 NAG 101 H2 NAG 34 12.526 3.220 -2.199
260 H3 NAG 101 H3 NAG 34 9.923 1.601 -2.233
261 H4 NAG 101 H4 NAG 34 12.274 1.826 -4.154
262 H5 NAG 101 H5 NAG 34 11.319 -0.497 -2.444
263 H61 NAG 101 H61 NAG 34 13.199 -1.753 -3.122
264 H62 NAG 101 H62 NAG 34 12.581 -1.076 -4.631
265 H81 NAG 101 H2M NAG 34 9.155 5.817 -0.134
266 H82 NAG 101 H3M NAG 34 10.356 7.033 -0.624
267 H83 NAG 101 H1M NAG 34 10.734 5.890 0.683
268 HN2 NAG 101 H2N NAG 34 10.715 3.522 0.057
269 HO3 NAG 101 H3O NAG 34 10.404 4.083 -3.268
270 HO4 NAG 101 H4O NAG 34 10.038 1.492 -4.851
271 HO6 NAG 101 H6O NAG 34 14.543 0.210 -3.012
Start of MODEL 20
1 H1 LYS 1 H1 LYS 1 -12.461 -0.789 -2.932
2 H2 LYS 1 H2 LYS 1 -12.791 0.428 -1.857
3 H3 LYS 1 H3 LYS 1 -11.590 -0.580 -1.524
4 HA LYS 1 HA LYS 1 -11.718 1.444 -3.642
5 HB2 LYS 1 HB2 LYS 1 -11.130 2.273 -1.443
6 HB3 LYS 1 HB3 LYS 1 -9.831 1.086 -1.290
7 HG2 LYS 1 HG2 LYS 1 -8.638 2.204 -3.196
8 HG3 LYS 1 HG3 LYS 1 -9.976 3.375 -3.316
9 HD2 LYS 1 HD2 LYS 1 -9.590 4.044 -0.969
10 HD3 LYS 1 HD3 LYS 1 -8.277 2.861 -0.838
11 HE2 LYS 1 HE2 LYS 1 -7.071 4.102 -2.672
12 HE3 LYS 1 HE3 LYS 1 -8.327 5.353 -2.576
13 HZ1 LYS 1 HZ1 LYS 1 -6.565 4.455 -0.368
14 HZ2 LYS 1 HZ2 LYS 1 -6.392 5.865 -1.165
15 HZ3 LYS 1 HZ3 LYS 1 -7.748 5.582 -0.189
16 H LEU 2 H LEU 2 -8.825 -0.444 -2.476
17 HA LEU 2 HA LEU 2 -8.129 -0.933 -5.220
18 HB2 LEU 2 HB2 LEU 2 -6.349 -2.388 -4.284
19 HB3 LEU 2 HB3 LEU 2 -6.344 -0.706 -3.810
20 HG LEU 2 HG LEU 2 -7.203 -1.326 -1.539
21 HD11 LEU 2 HD11 LEU 2 -6.874 -3.747 -0.860
22 HD12 LEU 2 HD12 LEU 2 -8.317 -3.448 -1.828
23 HD13 LEU 2 HD13 LEU 2 -6.877 -4.172 -2.577
24 HD21 LEU 2 HD21 LEU 2 -4.807 -1.016 -2.056
25 HD22 LEU 2 HD22 LEU 2 -5.108 -2.196 -0.776
26 HD23 LEU 2 HD23 LEU 2 -4.679 -2.758 -2.403
27 HA PRO 3 HA PRO 3 -10.608 -4.531 -5.805
28 HB2 PRO 3 HB2 PRO 3 -9.571 -5.564 -8.120
29 HB3 PRO 3 HB3 PRO 3 -10.402 -3.983 -8.042
30 HG2 PRO 3 HG2 PRO 3 -7.451 -4.568 -8.026
31 HG3 PRO 3 HG3 PRO 3 -8.323 -3.340 -8.987
32 HD2 PRO 3 HD2 PRO 3 -7.024 -2.779 -6.607
33 HD3 PRO 3 HD3 PRO 3 -8.463 -1.880 -7.181
34 HA PRO 4 HA PRO 4 -9.153 -8.319 -4.111
35 HB2 PRO 4 HB2 PRO 4 -9.630 -9.654 -6.788
36 HB3 PRO 4 HB3 PRO 4 -10.015 -10.266 -5.146
37 HG2 PRO 4 HG2 PRO 4 -11.956 -9.103 -6.614
38 HG3 PRO 4 HG3 PRO 4 -11.777 -8.654 -4.885
39 HD2 PRO 4 HD2 PRO 4 -10.846 -7.159 -7.330
40 HD3 PRO 4 HD3 PRO 4 -11.609 -6.524 -5.841
41 H GLY 5 H GLY 5 -7.306 -9.358 -3.677
42 HA2 GLY 5 HA2 GLY 5 -5.325 -10.490 -4.036
43 HA3 GLY 5 HA3 GLY 5 -5.314 -9.982 -5.724
44 H TRP 6 H TRP 6 -5.683 -7.002 -4.489
45 HA TRP 6 HA TRP 6 -2.810 -6.453 -4.335
46 HB2 TRP 6 HB2 TRP 6 -5.292 -4.716 -4.193
47 HB3 TRP 6 HB3 TRP 6 -3.643 -4.122 -4.128
48 HD1 TRP 6 HD1 TRP 6 -6.053 -5.877 -6.541
49 HE1 TRP 6 HE1 TRP 6 -5.415 -5.283 -8.960
50 HE3 TRP 6 HE3 TRP 6 -1.701 -3.310 -5.648
51 HZ2 TRP 6 HZ2 TRP 6 -3.343 -3.857 -10.326
52 HZ3 TRP 6 HZ3 TRP 6 -0.439 -2.340 -7.550
53 HH2 TRP 6 HH2 TRP 6 -1.241 -2.586 -9.871
54 H GLU 7 H GLU 7 -1.861 -7.083 -2.410
55 HA GLU 7 HA GLU 7 -3.201 -6.204 0.104
56 HB2 GLU 7 HB2 GLU 7 -2.722 -8.382 1.085
57 HB3 GLU 7 HB3 GLU 7 -3.834 -8.420 -0.257
58 HG2 GLU 7 HG2 GLU 7 -2.551 -10.328 -0.552
59 HG3 GLU 7 HG3 GLU 7 -1.932 -9.213 -1.760
60 H LYS 8 H LYS 8 -2.027 -5.836 1.914
61 HA LYS 8 HA LYS 8 0.056 -4.188 1.591
62 HB2 LYS 8 HB2 LYS 8 0.095 -3.826 3.833
63 HB3 LYS 8 HB3 LYS 8 -1.547 -4.323 3.518
64 HG2 LYS 8 HG2 LYS 8 0.562 -6.186 4.713
65 HG3 LYS 8 HG3 LYS 8 -0.378 -5.071 5.649
66 HD2 LYS 8 HD2 LYS 8 -1.344 -7.212 5.905
67 HD3 LYS 8 HD3 LYS 8 -2.473 -6.160 5.072
68 HE2 LYS 8 HE2 LYS 8 -2.510 -8.483 4.230
69 HE3 LYS 8 HE3 LYS 8 -2.119 -7.317 2.979
70 HZ1 LYS 8 HZ1 LYS 8 -0.616 -9.081 2.710
71 HZ2 LYS 8 HZ2 LYS 8 0.250 -7.881 3.350
72 HZ3 LYS 8 HZ3 LYS 8 -0.221 -9.136 4.329
73 H ARG 9 H ARG 9 2.149 -4.099 1.372
74 HA ARG 9 HA ARG 9 3.971 -6.309 2.074
75 HB2 ARG 9 HB2 ARG 9 2.875 -6.373 -0.262
76 HB3 ARG 9 HB3 ARG 9 3.608 -4.820 -0.567
77 HG2 ARG 9 HG2 ARG 9 4.753 -6.514 -1.653
78 HG3 ARG 9 HG3 ARG 9 5.843 -5.816 -0.486
79 HD2 ARG 9 HD2 ARG 9 5.610 -8.492 -0.936
80 HD3 ARG 9 HD3 ARG 9 6.271 -7.761 0.521
81 HE ARG 9 HE ARG 9 4.431 -8.418 1.748
82 HH11 ARG 9 HH11 ARG 9 3.638 -9.323 -1.613
83 HH12 ARG 9 HH12 ARG 9 1.987 -9.714 -1.061
84 HH21 ARG 9 HH22 ARG 9 2.191 -8.516 1.964
85 HH22 ARG 9 HH21 ARG 9 1.329 -9.538 0.871
86 H MET 10 H MET 10 6.314 -5.527 1.519
87 HA MET 10 HA MET 10 6.780 -2.694 2.064
88 HB2 MET 10 HB2 MET 10 7.965 -3.131 4.128
89 HB3 MET 10 HB3 MET 10 6.294 -3.655 4.277
90 HG2 MET 10 HG2 MET 10 8.668 -5.497 3.793
91 HG3 MET 10 HG3 MET 10 7.931 -5.169 5.351
92 HE1 MET 10 HE1 MET 10 8.523 -8.065 4.099
93 HE2 MET 10 HE2 MET 10 7.883 -7.783 5.737
94 HE3 MET 10 HE3 MET 10 7.069 -8.930 4.648
95 H PHE 11 H PHE 11 8.724 -1.989 1.436
96 HA PHE 11 HA PHE 11 10.583 -3.760 -0.006
97 HB2 PHE 11 HB2 PHE 11 10.367 -0.788 0.441
98 HB3 PHE 11 HB3 PHE 11 11.743 -1.519 -0.363
99 HD1 PHE 11 HD1 PHE 11 11.209 -3.195 -2.324
100 HD2 PHE 11 HD2 PHE 11 8.504 -0.080 -0.980
101 HE1 PHE 11 HE1 PHE 11 10.103 -3.186 -4.539
102 HE2 PHE 11 HE2 PHE 11 7.451 -0.082 -3.226
103 HZ PHE 11 HZ PHE 11 8.245 -1.605 -4.991
104 H ALA 12 H ALA 12 12.880 -3.864 0.511
105 HA ALA 12 HA ALA 12 13.471 -4.333 3.213
106 HB1 ALA 12 HB1 ALA 12 15.761 -4.676 2.379
107 HB2 ALA 12 HB2 ALA 12 14.575 -5.415 1.290
108 HB3 ALA 12 HB3 ALA 12 15.346 -3.869 0.852
109 H ASN 13 H ASN 13 13.425 -1.258 1.669
110 HA ASN 13 HA ASN 13 15.218 0.027 3.635
111 HB2 ASN 13 HB2 ASN 13 14.740 2.069 2.333
112 HB3 ASN 13 HB3 ASN 13 15.338 0.765 1.308
113 HD21 ASN 13 HD21 ASN 13 14.362 2.120 -0.472
114 H GLY 14 H GLY 14 12.080 -1.153 3.811
115 HA2 GLY 14 HA2 GLY 14 10.670 -0.840 5.641
116 HA3 GLY 14 HA3 GLY 14 11.345 0.762 5.944
117 H THR 15 H THR 15 10.409 0.140 2.587
118 HA THR 15 HA THR 15 8.351 2.251 2.929
119 HB THR 15 HB THR 15 9.552 1.136 0.396
120 HG1 THR 15 HG1 THR 15 11.118 2.013 1.507
121 HG21 THR 15 HG21 THR 15 8.151 3.790 0.838
122 HG22 THR 15 HG22 THR 15 8.770 3.113 -0.691
123 HG23 THR 15 HG23 THR 15 7.367 2.374 0.105
124 H VAL 16 H VAL 16 6.254 1.711 3.125
125 HA VAL 16 HA VAL 16 5.440 -1.046 2.480
126 HB VAL 16 HB VAL 16 4.326 1.169 4.206
127 HG11 VAL 16 HG11 VAL 16 2.304 0.239 3.166
128 HG12 VAL 16 HG12 VAL 16 2.860 -1.417 3.511
129 HG13 VAL 16 HG13 VAL 16 2.438 -0.313 4.835
130 HG21 VAL 16 HG21 VAL 16 5.005 -1.757 4.733
131 HG22 VAL 16 HG22 VAL 16 6.100 -0.392 5.072
132 HG23 VAL 16 HG23 VAL 16 4.570 -0.540 5.951
133 H TYR 17 H TYR 17 3.825 -1.637 1.169
134 HA TYR 17 HA TYR 17 2.296 0.296 -0.421
135 HB2 TYR 17 HB2 TYR 17 3.203 -0.518 -2.554
136 HB3 TYR 17 HB3 TYR 17 4.477 0.176 -1.581
137 HD1 TYR 17 HD2 TYR 17 6.175 -1.179 -0.491
138 HD2 TYR 17 HD1 TYR 17 3.303 -2.935 -3.179
139 HE1 TYR 17 HE2 TYR 17 7.719 -3.050 -0.904
140 HE2 TYR 17 HE1 TYR 17 4.893 -4.797 -3.641
141 HH TYR 17 HH TYR 17 8.145 -4.893 -2.217
142 H TYR 18 H TYR 18 0.877 -1.051 -2.020
143 HA TYR 18 HA TYR 18 0.186 -3.730 -0.937
144 HB2 TYR 18 HB2 TYR 18 -1.416 -1.623 -2.415
145 HB3 TYR 18 HB3 TYR 18 -1.956 -3.297 -2.246
146 HD1 TYR 18 HD2 TYR 18 -0.564 -0.510 -0.110
147 HD2 TYR 18 HD1 TYR 18 -3.308 -3.827 -0.385
148 HE1 TYR 18 HE2 TYR 18 -0.999 -0.270 2.208
149 HE2 TYR 18 HE1 TYR 18 -4.021 -3.397 1.954
150 HH TYR 18 HH TYR 18 -2.307 -1.033 4.042
151 H PHE 19 H PHE 19 0.239 -5.496 -2.107
152 HA PHE 19 HA PHE 19 1.469 -5.370 -4.822
153 HB2 PHE 19 HB2 PHE 19 2.983 -5.970 -3.021
154 HB3 PHE 19 HB3 PHE 19 1.865 -7.174 -2.408
155 HD1 PHE 19 HD1 PHE 19 4.176 -6.338 -5.194
156 HD2 PHE 19 HD2 PHE 19 1.670 -9.379 -3.434
157 HE1 PHE 19 HE1 PHE 19 5.307 -8.029 -6.553
158 HE2 PHE 19 HE2 PHE 19 2.841 -11.107 -4.772
159 HZ PHE 19 HZ PHE 19 4.681 -10.454 -6.319
160 H ASN 20 H ASN 20 0.355 -6.370 -6.407
161 HA ASN 20 HA ASN 20 -2.061 -7.872 -5.788
162 HB2 ASN 20 HB2 ASN 20 -1.940 -6.298 -7.706
163 HB3 ASN 20 HB3 ASN 20 -0.749 -7.349 -8.456
164 HD21 ASN 20 HD22 ASN 20 -4.176 -7.120 -7.422
165 HD22 ASN 20 HD21 ASN 20 -4.678 -8.566 -8.269
166 H HIS 21 H HIS 21 -1.558 -9.832 -4.783
167 HA HIS 21 HA HIS 21 0.688 -11.419 -5.598
168 HB2 HIS 21 HB2 HIS 21 -0.002 -12.994 -4.021
169 HB3 HIS 21 HB3 HIS 21 -0.442 -11.438 -3.347
170 HD2 HIS 21 HD2 HIS 21 -2.025 -14.551 -5.052
171 HE1 HIS 21 HE1 HIS 21 -5.091 -12.667 -2.766
172 HE2 HIS 21 HE2 HIS 21 -4.511 -14.706 -4.195
173 H ILE 22 H ILE 22 -2.069 -10.951 -7.451
174 HA ILE 22 HA ILE 22 -2.164 -13.715 -8.513
175 HB ILE 22 HB ILE 22 -3.857 -11.282 -9.210
176 HG12 ILE 22 HG12 ILE 22 -4.524 -13.584 -7.317
177 HG13 ILE 22 HG13 ILE 22 -4.125 -11.946 -6.804
178 HG21 ILE 22 HG21 ILE 22 -3.861 -12.982 -10.994
179 HG22 ILE 22 HG22 ILE 22 -4.269 -14.242 -9.812
180 HG23 ILE 22 HG23 ILE 22 -5.415 -12.940 -10.200
181 HD11 ILE 22 HD11 ILE 22 -6.608 -12.769 -8.328
182 HD12 ILE 22 HD12 ILE 22 -6.476 -12.142 -6.682
183 HD13 ILE 22 HD13 ILE 22 -6.110 -11.079 -8.054
184 H THR 23 H THR 23 -0.727 -10.628 -9.166
185 HA THR 23 HA THR 23 0.165 -11.521 -11.900
186 HB THR 23 HB THR 23 -0.065 -9.178 -12.634
187 HG1 THR 23 HG1 THR 23 -1.457 -8.809 -10.195
188 HG21 THR 23 HG21 THR 23 -2.481 -9.035 -12.810
189 HG22 THR 23 HG22 THR 23 -1.971 -10.721 -13.030
190 HG23 THR 23 HG23 THR 23 -2.701 -10.208 -11.495
191 H ASN 24 H ASN 24 1.107 -9.978 -8.901
192 HA ASN 24 HA ASN 24 3.018 -9.345 -8.046
193 HB2 ASN 24 HB2 ASN 24 4.514 -9.630 -10.670
194 HB3 ASN 24 HB3 ASN 24 5.184 -9.456 -9.061
195 HD21 ASN 24 HD22 ASN 24 3.538 -11.655 -11.246
196 HD22 ASN 24 HD21 ASN 24 3.999 -13.122 -10.355
197 H ALA 25 H ALA 25 1.078 -7.639 -10.009
198 HA ALA 25 HA ALA 25 2.629 -5.246 -10.439
199 HB1 ALA 25 HB1 ALA 25 -0.368 -5.584 -9.979
200 HB2 ALA 25 HB2 ALA 25 0.447 -4.184 -10.710
201 HB3 ALA 25 HB3 ALA 25 0.456 -5.747 -11.545
202 H SER 26 H SER 26 2.342 -3.137 -9.131
203 HA SER 26 HA SER 26 1.673 -3.539 -6.309
204 HB2 SER 26 HB2 SER 26 3.885 -2.869 -5.494
205 HB3 SER 26 HB3 SER 26 3.950 -4.379 -6.390
206 HG SER 26 HG SER 26 4.764 -3.276 -8.159
207 H GLN 27 H GLN 27 1.393 -1.669 -5.111
208 HA GLN 27 HA GLN 27 1.476 0.978 -6.441
209 HB2 GLN 27 HB2 GLN 27 -0.626 0.058 -7.187
210 HB3 GLN 27 HB3 GLN 27 -1.000 -0.583 -5.586
211 HG2 GLN 27 HG2 GLN 27 -2.355 1.397 -6.184
212 HG3 GLN 27 HG3 GLN 27 -1.434 1.615 -4.704
213 HE21 GLN 27 HE22 GLN 27 -1.391 2.444 -8.266
214 HE22 GLN 27 HE21 GLN 27 -0.461 3.902 -7.961
215 H PHE 28 H PHE 28 1.962 2.558 -4.934
216 HA PHE 28 HA PHE 28 2.484 1.836 -2.183
217 HB2 PHE 28 HB2 PHE 28 2.458 4.497 -3.652
218 HB3 PHE 28 HB3 PHE 28 2.957 4.287 -1.975
219 HD1 PHE 28 HD2 PHE 28 4.800 2.543 -1.462
220 HD2 PHE 28 HD1 PHE 28 4.117 4.244 -5.367
221 HE1 PHE 28 HE2 PHE 28 7.094 1.911 -2.143
222 HE2 PHE 28 HE1 PHE 28 6.423 3.622 -6.038
223 HZ PHE 28 HZ PHE 28 7.917 2.457 -4.427
224 H GLU 29 H GLU 29 -0.280 3.466 -3.804
225 HA GLU 29 HA GLU 29 -1.389 4.436 -1.366
226 HB2 GLU 29 HB2 GLU 29 -2.172 4.400 -4.146
227 HB3 GLU 29 HB3 GLU 29 -3.544 3.859 -3.192
228 HG2 GLU 29 HG2 GLU 29 -1.970 6.417 -2.653
229 HG3 GLU 29 HG3 GLU 29 -3.456 6.328 -3.597
230 H ARG 30 H ARG 30 -3.207 3.830 -0.244
231 HA ARG 30 HA ARG 30 -3.583 0.906 0.097
232 HB2 ARG 30 HB2 ARG 30 -3.239 1.147 2.516
233 HB3 ARG 30 HB3 ARG 30 -1.851 1.531 1.508
234 HG2 ARG 30 HG2 ARG 30 -2.003 2.865 3.504
235 HG3 ARG 30 HG3 ARG 30 -1.854 3.762 2.016
236 HD2 ARG 30 HD2 ARG 30 -4.593 3.287 3.260
237 HD3 ARG 30 HD3 ARG 30 -3.511 4.490 3.970
238 HE ARG 30 HE ARG 30 -3.572 5.132 1.227
239 HH11 ARG 30 HH11 ARG 30 -6.245 4.772 3.384
240 HH12 ARG 30 HH12 ARG 30 -6.865 6.368 3.038
241 HH21 ARG 30 HH21 ARG 30 -4.675 6.673 0.381
242 HH22 ARG 30 HH22 ARG 30 -5.967 7.486 1.265
243 HA PRO 31 HA PRO 31 -7.863 1.140 0.526
244 HB2 PRO 31 HB2 PRO 31 -7.660 0.079 3.343
245 HB3 PRO 31 HB3 PRO 31 -8.772 -0.419 2.025
246 HG2 PRO 31 HG2 PRO 31 -6.575 -1.878 2.548
247 HG3 PRO 31 HG3 PRO 31 -6.996 -1.506 0.845
248 HD2 PRO 31 HD2 PRO 31 -4.969 -0.159 2.631
249 HD3 PRO 31 HD3 PRO 31 -4.801 -0.648 0.917
250 H SER 32 H SER 32 -9.669 1.955 1.497
251 HA SER 32 HA SER 32 -10.286 3.497 3.633
252 HB2 SER 32 HB2 SER 32 -10.164 5.834 2.925
253 HB3 SER 32 HB3 SER 32 -8.553 5.163 3.121
254 HG SER 32 HG SER 32 -10.023 5.345 0.725
255 H GLY 33 H GLY 33 -11.959 2.050 2.919
256 HA2 GLY 33 HA2 GLY 33 -14.108 1.748 2.045
257 HA3 GLY 33 HA3 GLY 33 -13.882 3.130 0.957
258 H1 NAG 101 H1 NAG 34 11.633 1.019 -0.872
259 H2 NAG 101 H2 NAG 34 12.818 3.338 -2.480
260 H3 NAG 101 H3 NAG 34 10.174 1.786 -2.480
261 H4 NAG 101 H4 NAG 34 12.397 2.149 -4.527
262 H5 NAG 101 H5 NAG 34 11.500 -0.310 -2.984
263 H61 NAG 101 H61 NAG 34 13.332 -1.516 -3.888
264 H62 NAG 101 H62 NAG 34 12.587 -0.726 -5.282
265 H81 NAG 101 H2M NAG 34 11.313 5.799 0.734
266 H82 NAG 101 H3M NAG 34 9.677 5.814 0.034
267 H83 NAG 101 H1M NAG 34 10.863 7.050 -0.444
268 HN2 NAG 101 H2N NAG 34 11.168 3.482 -0.088
269 HO3 NAG 101 H3O NAG 34 10.661 4.346 -3.320
270 HO4 NAG 101 H4O NAG 34 10.124 1.929 -5.116
271 HO6 NAG 101 H6O NAG 34 14.705 0.410 -3.743