Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
576377 | 2m8v RC | 19275 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 -20.423 -8.005 4.742
2 H2 ALA 1 2HT ALA 1 -19.382 -6.641 4.756
3 H3 ALA 1 3HT ALA 1 -21.067 -6.440 5.010
4 HA ALA 1 HA ALA 1 -21.015 -7.346 7.075
5 HB1 ALA 1 2HB ALA 1 -19.885 -9.353 6.837
6 HB2 ALA 1 3HB ALA 1 -18.804 -8.426 7.877
7 HB3 ALA 1 1HB ALA 1 -18.452 -8.584 6.156
8 H ASP 2 H ASP 2 -17.613 -6.566 6.397
9 HA ASP 2 HA ASP 2 -17.884 -4.252 8.192
10 HB2 ASP 2 2HB ASP 2 -16.101 -6.339 8.326
11 HB3 ASP 2 1HB ASP 2 -15.159 -5.099 7.504
12 H ARG 3 H ARG 3 -17.564 -2.254 7.437
13 HA ARG 3 HA ARG 3 -16.956 -1.929 4.613
14 HB2 ARG 3 2HB ARG 3 -18.827 -0.733 6.005
15 HB3 ARG 3 1HB ARG 3 -17.524 0.354 6.466
16 HG2 ARG 3 2HG ARG 3 -18.125 1.495 4.641
17 HG3 ARG 3 1HG ARG 3 -17.205 0.265 3.772
18 HD2 ARG 3 2HD ARG 3 -20.137 -0.012 4.390
19 HD3 ARG 3 1HD ARG 3 -19.537 0.735 2.910
20 HE ARG 3 HE ARG 3 -18.310 -1.752 3.153
21 HH11 ARG 3 1HH1 ARG 3 -21.518 -0.458 2.695
22 HH12 ARG 3 2HH1 ARG 3 -22.085 -1.838 1.815
23 HH21 ARG 3 1HH2 ARG 3 -19.053 -3.568 1.996
24 HH22 ARG 3 2HH2 ARG 3 -20.685 -3.604 1.419
25 H GLY 4 H GLY 4 -15.183 -0.920 3.785
26 HA2 GLY 4 2HA GLY 4 -13.402 0.805 4.423
27 HA3 GLY 4 1HA GLY 4 -13.032 -0.329 5.713
28 H TRP 5 H TRP 5 -12.295 0.608 2.589
29 HA TRP 5 HA TRP 5 -10.574 -1.723 2.256
30 HB2 TRP 5 2HB TRP 5 -12.949 -1.650 0.899
31 HB3 TRP 5 1HB TRP 5 -11.859 -0.896 -0.259
32 HD1 TRP 5 HD TRP 5 -9.274 -2.690 0.346
33 HE1 TRP 5 1HE TRP 5 -9.246 -5.140 -0.441
34 HE3 TRP 5 3HE TRP 5 -14.309 -3.453 -0.118
35 HZ2 TRP 5 2HZ TRP 5 -11.110 -7.133 -1.162
36 HZ3 TRP 5 3HZ TRP 5 -15.103 -5.660 -0.863
37 HH2 TRP 5 HH TRP 5 -13.536 -7.461 -1.374
38 H ILE 6 H ILE 6 -8.612 -1.201 1.492
39 HA ILE 6 HA ILE 6 -8.004 1.576 1.038
40 HB ILE 6 HB ILE 6 -6.135 -0.770 0.724
41 HG12 ILE 6 2HG1 ILE 6 -5.869 0.676 3.218
42 HG13 ILE 6 1HG1 ILE 6 -7.489 0.004 3.061
43 HG21 ILE 6 1HG2 ILE 6 -5.246 1.247 -0.209
44 HG22 ILE 6 2HG2 ILE 6 -4.429 0.941 1.322
45 HG23 ILE 6 3HG2 ILE 6 -5.693 2.166 1.228
46 HD11 ILE 6 3HD1 ILE 6 -4.888 -1.360 3.365
47 HD12 ILE 6 1HD1 ILE 6 -6.098 -2.143 2.350
48 HD13 ILE 6 2HD1 ILE 6 -6.471 -1.762 4.031
49 H LYS 7 H LYS 7 -6.834 2.361 -0.836
50 HA LYS 7 HA LYS 7 -7.696 1.005 -3.301
51 HB2 LYS 7 2HB LYS 7 -7.034 3.924 -2.876
52 HB3 LYS 7 1HB LYS 7 -7.601 3.203 -4.376
53 HG2 LYS 7 2HG LYS 7 -9.739 2.760 -3.464
54 HG3 LYS 7 1HG LYS 7 -9.190 3.131 -1.828
55 HD2 LYS 7 2HD LYS 7 -9.151 5.168 -4.041
56 HD3 LYS 7 1HD LYS 7 -10.565 4.915 -3.015
57 HE2 LYS 7 2HE LYS 7 -8.027 5.229 -1.568
58 HE3 LYS 7 1HE LYS 7 -8.546 6.653 -2.469
59 HZ1 LYS 7 3HZ LYS 7 -9.365 6.095 -0.005
60 HZ2 LYS 7 1HZ LYS 7 -10.596 5.339 -0.887
61 HZ3 LYS 7 2HZ LYS 7 -10.287 6.987 -1.107
62 H DBB 8 H DBB 8 -5.025 2.919 -1.930
63 HA DBB 8 HA DBB 8 -3.271 2.074 -4.086
64 HB3 DBB 8 HB DBB 8 -3.204 0.238 -2.415
65 HG1 DBB 8 3HG2 DBB 8 -0.779 0.097 -2.193
66 HG2 DBB 8 1HG2 DBB 8 -0.634 1.807 -2.593
67 HG3 DBB 8 2HG2 DBB 8 -1.229 0.668 -3.797
68 H LEU 9 H LEU 9 -3.525 3.768 -0.970
69 HA LEU 9 HA LEU 9 -2.445 6.154 -2.075
70 HB2 LEU 9 2HB LEU 9 -2.630 5.742 0.870
71 HB3 LEU 9 1HB LEU 9 -2.961 7.180 -0.075
72 HG LEU 9 HG LEU 9 -4.921 5.531 -0.979
73 HD11 LEU 9 1HD1 LEU 9 -5.659 4.028 0.540
74 HD12 LEU 9 2HD1 LEU 9 -5.111 4.984 1.917
75 HD13 LEU 9 3HD1 LEU 9 -3.957 4.011 1.004
76 HD21 LEU 9 3HD2 LEU 9 -6.407 6.759 0.587
77 HD22 LEU 9 1HD2 LEU 9 -5.274 7.806 -0.270
78 HD23 LEU 9 2HD2 LEU 9 -4.973 7.370 1.412
79 H DBB 10 H DBB 10 -1.076 3.575 -0.132
80 HA DBB 10 HA DBB 10 1.455 5.059 -0.021
81 HB3 DBB 10 HB DBB 10 2.727 3.111 -0.708
82 HG1 DBB 10 3HG2 DBB 10 1.472 1.146 -1.691
83 HG2 DBB 10 1HG2 DBB 10 0.058 1.741 -0.828
84 HG3 DBB 10 2HG2 DBB 10 1.486 1.234 0.068
85 H LYS 11 H LYS 11 0.609 5.416 2.185
86 HA LYS 11 HA LYS 11 1.822 3.540 3.990
87 HB2 LYS 11 2HB LYS 11 0.543 6.228 4.251
88 HB3 LYS 11 1HB LYS 11 0.775 5.251 5.694
89 HG2 LYS 11 2HG LYS 11 2.712 6.445 5.705
90 HG3 LYS 11 1HG LYS 11 3.225 5.047 4.758
91 HD2 LYS 11 2HD LYS 11 2.804 6.286 2.694
92 HD3 LYS 11 1HD LYS 11 2.270 7.681 3.634
93 HE2 LYS 11 2HE LYS 11 4.400 8.179 4.356
94 HE3 LYS 11 1HE LYS 11 4.971 6.524 4.148
95 HZ1 LYS 11 3HZ LYS 11 5.952 7.815 2.451
96 HZ2 LYS 11 1HZ LYS 11 4.483 8.546 2.037
97 HZ3 LYS 11 2HZ LYS 11 4.737 6.908 1.700
98 H ASP 12 H ASP 12 -1.229 3.707 2.608
99 HA ASP 12 HA ASP 12 -2.493 2.413 4.924
100 HB2 ASP 12 2HB ASP 12 -3.430 4.310 2.950
101 HB3 ASP 12 1HB ASP 12 -4.466 2.886 2.994
102 H CYS 13 H CYS 13 -0.903 1.527 2.195
103 HA CYS 13 HA CYS 13 -2.603 -0.851 1.809
104 HB2 CYS 13 2HB CYS 13 -0.593 0.014 -0.235
105 HB3 CYS 13 1HB CYS 13 -2.062 -0.927 -0.451
106 HA PRO 14 HA PRO 14 1.262 -2.446 3.686
107 HB2 PRO 14 2HB PRO 14 -0.461 -4.536 4.765
108 HB3 PRO 14 1HB PRO 14 0.524 -3.352 5.626
109 HG2 PRO 14 2HG PRO 14 -2.187 -3.280 5.617
110 HG3 PRO 14 1HG PRO 14 -1.184 -1.824 5.749
111 HD2 PRO 14 2HD PRO 14 -2.598 -2.942 3.356
112 HD3 PRO 14 1HD PRO 14 -2.444 -1.253 3.888
113 H ASN 15 H ASN 15 -1.055 -3.716 1.521
114 HA ASN 15 HA ASN 15 0.344 -6.229 1.125
115 HB2 ASN 15 2HB ASN 15 -2.194 -5.028 0.103
116 HB3 ASN 15 1HB ASN 15 -1.434 -6.312 -0.833
117 HD21 ASN 15 1HD2 ASN 15 -2.116 -5.614 2.583
118 HD22 ASN 15 2HD2 ASN 15 -2.751 -7.178 2.950
119 H VAL 16 H VAL 16 -0.881 -4.119 -1.442
120 HA VAL 16 HA VAL 16 0.067 -3.343 -3.356
121 HB VAL 16 HB VAL 16 2.674 -3.370 -1.835
122 HG11 VAL 16 1HG1 VAL 16 3.057 -2.978 -4.145
123 HG12 VAL 16 2HG1 VAL 16 3.142 -1.409 -3.344
124 HG13 VAL 16 3HG1 VAL 16 1.697 -1.860 -4.249
125 HG21 VAL 16 3HG2 VAL 16 1.815 -0.811 -1.680
126 HG22 VAL 16 1HG2 VAL 16 1.585 -2.011 -0.409
127 HG23 VAL 16 2HG2 VAL 16 0.284 -1.679 -1.553
128 H ILE 17 H ILE 17 1.480 -3.914 -5.148
129 HA ILE 17 HA ILE 17 2.478 -6.677 -4.981
130 HB ILE 17 HB ILE 17 1.620 -5.784 -7.649
131 HG12 ILE 17 2HG1 ILE 17 -0.163 -4.769 -6.262
132 HG13 ILE 17 1HG1 ILE 17 -0.766 -6.088 -7.261
133 HG21 ILE 17 1HG2 ILE 17 2.312 -8.137 -6.530
134 HG22 ILE 17 2HG2 ILE 17 1.334 -7.991 -7.990
135 HG23 ILE 17 3HG2 ILE 17 0.555 -8.241 -6.428
136 HD11 ILE 17 3HD1 ILE 17 0.097 -6.850 -4.558
137 HD12 ILE 17 1HD1 ILE 17 -1.320 -7.344 -5.485
138 HD13 ILE 17 2HD1 ILE 17 -1.313 -5.794 -4.644
139 H SER 18 H SER 18 3.589 -6.855 -7.493
140 HA SER 18 HA SER 18 6.063 -5.529 -7.127
141 HB2 SER 18 2HB SER 18 4.898 -7.370 -9.147
142 HB3 SER 18 1HB SER 18 6.273 -6.394 -9.664
143 HG SER 18 HG SER 18 6.795 -8.475 -8.692
144 H SER 19 H SER 19 5.967 -3.337 -7.203
145 HA SER 19 HA SER 19 5.841 -2.089 -9.751
146 HB2 SER 19 2HB SER 19 3.942 -0.503 -9.080
147 HB3 SER 19 1HB SER 19 3.484 -2.130 -9.581
148 HG SER 19 HG SER 19 2.431 -1.438 -7.646
149 H ILE 20 H ILE 20 5.688 -1.657 -6.259
150 HA ILE 20 HA ILE 20 7.703 0.452 -6.499
151 HB ILE 20 HB ILE 20 5.447 0.644 -4.525
152 HG12 ILE 20 2HG1 ILE 20 4.989 2.678 -6.269
153 HG13 ILE 20 1HG1 ILE 20 5.574 1.434 -7.370
154 HG21 ILE 20 1HG2 ILE 20 6.851 3.060 -5.367
155 HG22 ILE 20 2HG2 ILE 20 7.890 1.875 -4.575
156 HG23 ILE 20 3HG2 ILE 20 6.455 2.481 -3.748
157 HD11 ILE 20 3HD1 ILE 20 3.844 -0.077 -6.172
158 HD12 ILE 20 1HD1 ILE 20 3.301 1.084 -7.383
159 HD13 ILE 20 2HD1 ILE 20 3.126 1.452 -5.667
160 H CYS 21 H CYS 21 5.940 -1.088 -3.884
161 HA CYS 21 HA CYS 21 8.443 -1.543 -2.461
162 HB2 CYS 21 2HB CYS 21 5.953 -0.739 -1.602
163 HB3 CYS 21 1HB CYS 21 5.981 -2.440 -1.150
164 H ALA 22 H ALA 22 5.867 -3.269 -4.029
165 HA ALA 22 HA ALA 22 5.576 -5.458 -4.588
166 HB1 ALA 22 1HB ALA 22 7.382 -6.468 -5.499
167 HB2 ALA 22 2HB ALA 22 8.396 -6.178 -4.085
168 HB3 ALA 22 3HB ALA 22 8.108 -4.881 -5.245
169 H GLY 23 H GLY 23 5.001 -4.834 -1.937
170 HA2 GLY 23 2HA GLY 23 4.511 -5.883 0.045
171 HA3 GLY 23 1HA GLY 23 4.903 -7.391 -0.767
172 H THR 24 H THR 24 6.157 -4.758 1.170
173 HA THR 24 HA THR 24 8.054 -6.491 2.422
174 HB THR 24 HB THR 24 9.274 -5.938 0.346
175 HG1 THR 24 1HG THR 24 10.461 -4.582 2.521
176 HG21 THR 24 3HG2 THR 24 10.127 -3.700 -0.036
177 HG22 THR 24 1HG2 THR 24 9.172 -3.093 1.317
178 HG23 THR 24 2HG2 THR 24 8.365 -3.729 -0.117
179 H ILE 25 H ILE 25 9.400 -5.248 4.051
180 HA ILE 25 HA ILE 25 7.637 -3.459 5.463
181 HB ILE 25 HB ILE 25 9.692 -3.378 7.085
182 HG12 ILE 25 2HG1 ILE 25 11.151 -5.290 6.986
183 HG13 ILE 25 1HG1 ILE 25 10.276 -5.955 5.612
184 HG21 ILE 25 1HG2 ILE 25 8.910 -5.485 8.118
185 HG22 ILE 25 2HG2 ILE 25 7.987 -5.823 6.653
186 HG23 ILE 25 3HG2 ILE 25 7.596 -4.412 7.636
187 HD11 ILE 25 3HD1 ILE 25 12.011 -3.501 5.654
188 HD12 ILE 25 1HD1 ILE 25 11.017 -3.989 4.282
189 HD13 ILE 25 2HD1 ILE 25 12.328 -5.030 4.834
190 H ILE 26 H ILE 26 7.810 -1.889 3.599
191 HA ILE 26 HA ILE 26 8.621 0.004 2.609
192 HB ILE 26 HB ILE 26 7.700 0.973 4.581
193 HG12 ILE 26 2HG1 ILE 26 9.119 2.962 4.879
194 HG13 ILE 26 1HG1 ILE 26 10.468 2.111 4.132
195 HG21 ILE 26 1HG2 ILE 26 10.278 0.230 5.948
196 HG22 ILE 26 2HG2 ILE 26 8.661 -0.381 6.296
197 HG23 ILE 26 3HG2 ILE 26 9.061 1.301 6.638
198 HD11 ILE 26 3HD1 ILE 26 7.867 2.805 2.788
199 HD12 ILE 26 1HD1 ILE 26 9.231 1.974 2.041
200 HD13 ILE 26 2HD1 ILE 26 9.404 3.645 2.577
201 H THR 27 H THR 27 10.321 -0.519 1.318
202 HA THR 27 HA THR 27 13.006 -0.319 2.516
203 HB THR 27 HB THR 27 13.787 -1.696 0.593
204 HG1 THR 27 1HG THR 27 11.009 -1.916 0.081
205 HG21 THR 27 3HG2 THR 27 12.857 -3.839 1.294
206 HG22 THR 27 1HG2 THR 27 11.618 -2.994 2.222
207 HG23 THR 27 2HG2 THR 27 13.316 -2.841 2.674
208 H ALA 28 H ALA 28 11.740 -0.133 -0.805
209 HA ALA 28 HA ALA 28 13.156 2.435 -1.097
210 HB1 ALA 28 1HB ALA 28 13.057 1.807 -3.597
211 HB2 ALA 28 2HB ALA 28 12.725 0.176 -3.013
212 HB3 ALA 28 3HB ALA 28 14.225 0.986 -2.562
213 H CYS 29 H CYS 29 10.102 0.966 -1.060
214 HA CYS 29 HA CYS 29 8.747 2.612 -2.934
215 HB2 CYS 29 2HB CYS 29 6.699 1.761 -1.895
216 HB3 CYS 29 1HB CYS 29 7.846 0.459 -2.173
217 H LYS 30 H LYS 30 9.942 4.598 -2.109
218 HA LYS 30 HA LYS 30 8.790 5.780 0.285
219 HB2 LYS 30 2HB LYS 30 11.263 5.982 -0.956
220 HB3 LYS 30 1HB LYS 30 10.495 7.524 -1.308
221 HG2 LYS 30 2HG LYS 30 10.550 8.201 0.847
222 HG3 LYS 30 1HG LYS 30 10.316 6.571 1.481
223 HD2 LYS 30 2HD LYS 30 12.871 7.099 0.085
224 HD3 LYS 30 1HD LYS 30 12.645 7.889 1.646
225 HE2 LYS 30 2HE LYS 30 11.834 5.444 2.317
226 HE3 LYS 30 1HE LYS 30 12.909 5.006 0.990
227 HZ1 LYS 30 3HZ LYS 30 14.406 5.026 2.665
228 HZ2 LYS 30 1HZ LYS 30 13.544 6.145 3.598
229 HZ3 LYS 30 2HZ LYS 30 14.479 6.674 2.291
230 H ASN 31 H ASN 31 7.459 5.364 -2.540
231 HA ASN 31 HA ASN 31 5.860 7.740 -2.372
232 HB2 ASN 31 2HB ASN 31 6.268 8.521 -4.662
233 HB3 ASN 31 1HB ASN 31 7.740 8.594 -3.699
234 HD21 ASN 31 1HD2 ASN 31 6.584 7.827 -6.634
235 HD22 ASN 31 2HD2 ASN 31 7.768 6.675 -7.139
236 H CYS 32 H CYS 32 3.854 7.050 -2.655
237 HA CYS 32 HA CYS 32 3.384 4.611 -4.197
238 HB2 CYS 32 2HB CYS 32 2.380 5.469 -1.776
239 HB3 CYS 32 1HB CYS 32 1.066 5.831 -2.888
240 H ALA 33 H ALA 33 1.873 7.824 -3.840
241 HA ALA 33 HA ALA 33 0.798 9.174 -5.323
242 HB1 ALA 33 1HB ALA 33 2.669 7.667 -7.090
243 HB2 ALA 33 2HB ALA 33 2.630 9.385 -6.694
244 HB3 ALA 33 3HB ALA 33 1.448 8.712 -7.816
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 -8.261 -0.085 -11.058
2 H2 ALA 1 2HT ALA 1 -7.856 -1.120 -9.750
3 H3 ALA 1 3HT ALA 1 -8.577 0.407 -9.446
4 HA ALA 1 HA ALA 1 -10.604 -0.233 -10.210
5 HB1 ALA 1 2HB ALA 1 -10.080 -1.186 -12.297
6 HB2 ALA 1 3HB ALA 1 -10.877 -2.467 -11.384
7 HB3 ALA 1 1HB ALA 1 -9.123 -2.471 -11.561
8 H ASP 2 H ASP 2 -8.991 -0.705 -7.819
9 HA ASP 2 HA ASP 2 -9.709 -3.306 -6.818
10 HB2 ASP 2 2HB ASP 2 -8.509 -0.872 -5.490
11 HB3 ASP 2 1HB ASP 2 -8.815 -2.388 -4.647
12 H ARG 3 H ARG 3 -11.379 -3.854 -5.513
13 HA ARG 3 HA ARG 3 -13.230 -1.711 -4.703
14 HB2 ARG 3 2HB ARG 3 -14.142 -2.920 -6.634
15 HB3 ARG 3 1HB ARG 3 -13.969 -4.442 -5.769
16 HG2 ARG 3 2HG ARG 3 -15.463 -2.988 -4.020
17 HG3 ARG 3 1HG ARG 3 -16.042 -2.388 -5.574
18 HD2 ARG 3 2HD ARG 3 -17.426 -4.176 -5.362
19 HD3 ARG 3 1HD ARG 3 -16.060 -4.987 -6.127
20 HE ARG 3 HE ARG 3 -15.938 -4.979 -3.256
21 HH11 ARG 3 1HH1 ARG 3 -17.184 -6.641 -6.059
22 HH12 ARG 3 2HH1 ARG 3 -17.330 -8.164 -5.247
23 HH21 ARG 3 1HH2 ARG 3 -16.129 -6.979 -2.185
24 HH22 ARG 3 2HH2 ARG 3 -16.733 -8.356 -3.047
25 H GLY 4 H GLY 4 -13.641 -1.669 -2.594
26 HA2 GLY 4 2HA GLY 4 -14.453 -2.958 -0.654
27 HA3 GLY 4 1HA GLY 4 -13.229 -4.155 -1.049
28 H TRP 5 H TRP 5 -10.953 -2.873 -1.348
29 HA TRP 5 HA TRP 5 -10.629 -1.225 1.072
30 HB2 TRP 5 2HB TRP 5 -8.442 -2.321 1.437
31 HB3 TRP 5 1HB TRP 5 -9.781 -3.461 1.529
32 HD1 TRP 5 HD TRP 5 -6.633 -2.707 -0.421
33 HE1 TRP 5 1HE TRP 5 -6.214 -4.592 -2.122
34 HE3 TRP 5 3HE TRP 5 -11.081 -5.191 0.006
35 HZ2 TRP 5 2HZ TRP 5 -7.587 -6.834 -3.148
36 HZ3 TRP 5 3HZ TRP 5 -11.448 -7.197 -1.370
37 HH2 TRP 5 HH TRP 5 -9.737 -8.000 -2.914
38 H ILE 6 H ILE 6 -8.123 -0.415 0.949
39 HA ILE 6 HA ILE 6 -8.106 1.574 -1.025
40 HB ILE 6 HB ILE 6 -5.637 0.589 0.391
41 HG12 ILE 6 2HG1 ILE 6 -6.773 2.756 1.814
42 HG13 ILE 6 1HG1 ILE 6 -8.069 1.592 1.560
43 HG21 ILE 6 1HG2 ILE 6 -6.478 3.124 -0.939
44 HG22 ILE 6 2HG2 ILE 6 -4.974 2.218 -1.093
45 HG23 ILE 6 3HG2 ILE 6 -5.285 3.168 0.359
46 HD11 ILE 6 3HD1 ILE 6 -6.579 -0.161 2.510
47 HD12 ILE 6 1HD1 ILE 6 -7.031 1.113 3.643
48 HD13 ILE 6 2HD1 ILE 6 -5.427 1.114 2.908
49 H LYS 7 H LYS 7 -6.451 1.919 -2.698
50 HA LYS 7 HA LYS 7 -5.860 -0.600 -4.093
51 HB2 LYS 7 2HB LYS 7 -5.660 0.875 -6.127
52 HB3 LYS 7 1HB LYS 7 -7.269 0.779 -5.424
53 HG2 LYS 7 2HG LYS 7 -5.816 2.968 -4.266
54 HG3 LYS 7 1HG LYS 7 -5.795 3.078 -6.027
55 HD2 LYS 7 2HD LYS 7 -8.251 2.822 -6.041
56 HD3 LYS 7 1HD LYS 7 -8.238 2.798 -4.276
57 HE2 LYS 7 2HE LYS 7 -6.789 5.071 -4.949
58 HE3 LYS 7 1HE LYS 7 -8.124 5.048 -6.101
59 HZ1 LYS 7 3HZ LYS 7 -8.615 4.634 -3.222
60 HZ2 LYS 7 1HZ LYS 7 -9.686 5.173 -4.417
61 HZ3 LYS 7 2HZ LYS 7 -8.464 6.196 -3.852
62 H DBB 8 H DBB 8 -4.448 2.422 -2.985
63 HA DBB 8 HA DBB 8 -1.884 1.922 -4.171
64 HB3 DBB 8 HB DBB 8 -1.764 0.271 -2.395
65 HG1 DBB 8 3HG2 DBB 8 0.166 0.962 -1.181
66 HG2 DBB 8 1HG2 DBB 8 -0.228 2.667 -1.402
67 HG3 DBB 8 2HG2 DBB 8 0.280 1.693 -2.782
68 H LEU 9 H LEU 9 -3.666 3.605 -1.609
69 HA LEU 9 HA LEU 9 -2.925 6.149 -2.618
70 HB2 LEU 9 2HB LEU 9 -4.445 7.011 -1.173
71 HB3 LEU 9 1HB LEU 9 -5.003 5.353 -1.204
72 HG LEU 9 HG LEU 9 -5.085 5.954 1.051
73 HD11 LEU 9 1HD1 LEU 9 -2.448 4.862 1.499
74 HD12 LEU 9 2HD1 LEU 9 -3.315 3.975 0.248
75 HD13 LEU 9 3HD1 LEU 9 -4.031 4.171 1.845
76 HD21 LEU 9 3HD2 LEU 9 -3.421 7.962 0.469
77 HD22 LEU 9 1HD2 LEU 9 -2.292 6.892 1.299
78 HD23 LEU 9 2HD2 LEU 9 -3.754 7.440 2.120
79 H DBB 10 H DBB 10 -1.366 4.003 -0.448
80 HA DBB 10 HA DBB 10 0.038 5.979 1.061
81 HB3 DBB 10 HB DBB 10 1.025 6.160 -1.269
82 HG1 DBB 10 3HG2 DBB 10 3.390 6.154 -0.500
83 HG2 DBB 10 1HG2 DBB 10 2.851 5.434 1.016
84 HG3 DBB 10 2HG2 DBB 10 2.296 7.044 0.558
85 H LYS 11 H LYS 11 1.446 5.104 2.619
86 HA LYS 11 HA LYS 11 2.136 2.374 2.775
87 HB2 LYS 11 2HB LYS 11 2.764 2.881 5.107
88 HB3 LYS 11 1HB LYS 11 3.402 4.060 3.970
89 HG2 LYS 11 2HG LYS 11 1.983 5.729 4.695
90 HG3 LYS 11 1HG LYS 11 0.815 4.586 5.363
91 HD2 LYS 11 2HD LYS 11 1.749 4.858 7.363
92 HD3 LYS 11 1HD LYS 11 3.238 4.149 6.734
93 HE2 LYS 11 2HE LYS 11 3.801 6.470 5.871
94 HE3 LYS 11 1HE LYS 11 2.468 7.055 6.865
95 HZ1 LYS 11 3HZ LYS 11 4.877 6.997 7.801
96 HZ2 LYS 11 1HZ LYS 11 4.532 5.366 8.096
97 HZ3 LYS 11 2HZ LYS 11 3.575 6.574 8.794
98 H ASP 12 H ASP 12 -0.771 4.045 3.533
99 HA ASP 12 HA ASP 12 -1.804 2.410 5.562
100 HB2 ASP 12 2HB ASP 12 -2.684 4.626 4.177
101 HB3 ASP 12 1HB ASP 12 -3.807 3.374 3.656
102 H CYS 13 H CYS 13 -1.288 1.786 2.231
103 HA CYS 13 HA CYS 13 -3.304 -0.177 1.841
104 HB2 CYS 13 2HB CYS 13 -0.673 0.217 0.401
105 HB3 CYS 13 1HB CYS 13 -1.994 -0.804 -0.155
106 HA PRO 14 HA PRO 14 -1.763 -3.705 3.990
107 HB2 PRO 14 2HB PRO 14 -2.436 -5.253 1.552
108 HB3 PRO 14 1HB PRO 14 -2.963 -5.499 3.220
109 HG2 PRO 14 2HG PRO 14 -4.623 -4.479 1.403
110 HG3 PRO 14 1HG PRO 14 -4.621 -3.887 3.075
111 HD2 PRO 14 2HD PRO 14 -3.469 -2.637 0.617
112 HD3 PRO 14 1HD PRO 14 -4.279 -1.872 2.000
113 H ASN 15 H ASN 15 -1.105 -4.135 0.555
114 HA ASN 15 HA ASN 15 1.721 -3.917 0.836
115 HB2 ASN 15 2HB ASN 15 1.094 -6.237 1.807
116 HB3 ASN 15 1HB ASN 15 0.821 -6.697 0.129
117 HD21 ASN 15 1HD2 ASN 15 2.699 -7.992 1.594
118 HD22 ASN 15 2HD2 ASN 15 4.280 -7.578 1.035
119 H VAL 16 H VAL 16 -0.980 -5.160 -1.068
120 HA VAL 16 HA VAL 16 -1.335 -5.309 -3.320
121 HB VAL 16 HB VAL 16 -1.770 -2.952 -2.952
122 HG11 VAL 16 1HG1 VAL 16 0.035 -1.286 -3.503
123 HG12 VAL 16 2HG1 VAL 16 1.186 -2.617 -3.397
124 HG13 VAL 16 3HG1 VAL 16 0.238 -2.157 -1.984
125 HG21 VAL 16 3HG2 VAL 16 -1.467 -4.092 -5.335
126 HG22 VAL 16 1HG2 VAL 16 -0.227 -2.847 -5.480
127 HG23 VAL 16 2HG2 VAL 16 -1.899 -2.393 -5.151
128 H ILE 17 H ILE 17 0.616 -6.945 -3.023
129 HA ILE 17 HA ILE 17 2.276 -8.028 -4.119
130 HB ILE 17 HB ILE 17 2.110 -5.781 -6.131
131 HG12 ILE 17 2HG1 ILE 17 0.005 -6.817 -6.193
132 HG13 ILE 17 1HG1 ILE 17 0.917 -7.639 -7.453
133 HG21 ILE 17 1HG2 ILE 17 3.154 -7.486 -7.649
134 HG22 ILE 17 2HG2 ILE 17 3.476 -8.461 -6.216
135 HG23 ILE 17 3HG2 ILE 17 4.210 -6.865 -6.380
136 HD11 ILE 17 3HD1 ILE 17 1.359 -9.485 -5.879
137 HD12 ILE 17 1HD1 ILE 17 -0.358 -9.242 -6.202
138 HD13 ILE 17 2HD1 ILE 17 0.344 -8.672 -4.687
139 H SER 18 H SER 18 4.541 -7.965 -4.492
140 HA SER 18 HA SER 18 5.838 -5.784 -3.015
141 HB2 SER 18 2HB SER 18 7.710 -7.361 -2.699
142 HB3 SER 18 1HB SER 18 6.190 -8.039 -2.112
143 HG SER 18 HG SER 18 7.297 -8.561 -4.672
144 H SER 19 H SER 19 5.109 -5.244 -5.649
145 HA SER 19 HA SER 19 7.521 -4.281 -6.718
146 HB2 SER 19 2HB SER 19 7.569 -5.650 -8.822
147 HB3 SER 19 1HB SER 19 8.006 -6.552 -7.370
148 HG SER 19 HG SER 19 5.521 -6.581 -8.738
149 H ILE 20 H ILE 20 6.186 -2.434 -6.729
150 HA ILE 20 HA ILE 20 4.868 -0.863 -7.696
151 HB ILE 20 HB ILE 20 5.210 -2.738 -10.021
152 HG12 ILE 20 2HG1 ILE 20 6.244 -0.013 -9.251
153 HG13 ILE 20 1HG1 ILE 20 7.165 -1.482 -9.551
154 HG21 ILE 20 1HG2 ILE 20 4.141 -0.983 -11.441
155 HG22 ILE 20 2HG2 ILE 20 3.581 -0.202 -9.964
156 HG23 ILE 20 3HG2 ILE 20 3.023 -1.823 -10.369
157 HD11 ILE 20 3HD1 ILE 20 6.153 -1.232 -11.961
158 HD12 ILE 20 1HD1 ILE 20 7.581 -0.321 -11.468
159 HD13 ILE 20 2HD1 ILE 20 5.997 0.457 -11.474
160 H CYS 21 H CYS 21 2.690 -0.366 -8.193
161 HA CYS 21 HA CYS 21 0.811 -2.027 -6.920
162 HB2 CYS 21 2HB CYS 21 0.474 0.411 -8.655
163 HB3 CYS 21 1HB CYS 21 -0.871 -0.389 -7.852
164 H ALA 22 H ALA 22 1.146 -1.108 -10.310
165 HA ALA 22 HA ALA 22 0.642 -3.653 -11.358
166 HB1 ALA 22 1HB ALA 22 -1.693 -2.822 -12.369
167 HB2 ALA 22 2HB ALA 22 -1.754 -2.012 -10.804
168 HB3 ALA 22 3HB ALA 22 -1.571 -3.764 -10.884
169 H GLY 23 H GLY 23 1.954 -3.414 -13.052
170 HA2 GLY 23 2HA GLY 23 1.937 -0.906 -14.557
171 HA3 GLY 23 1HA GLY 23 3.129 -2.189 -14.695
172 H THR 24 H THR 24 -0.416 -2.279 -14.930
173 HA THR 24 HA THR 24 -0.276 -2.797 -17.778
174 HB THR 24 HB THR 24 -1.805 -4.854 -16.284
175 HG1 THR 24 1HG THR 24 -0.144 -5.709 -15.363
176 HG21 THR 24 3HG2 THR 24 -1.756 -4.892 -18.716
177 HG22 THR 24 1HG2 THR 24 -0.990 -6.325 -18.034
178 HG23 THR 24 2HG2 THR 24 0.002 -5.020 -18.683
179 H ILE 25 H ILE 25 -1.440 -0.769 -16.035
180 HA ILE 25 HA ILE 25 -4.217 -1.007 -16.956
181 HB ILE 25 HB ILE 25 -3.484 0.074 -14.234
182 HG12 ILE 25 2HG1 ILE 25 -4.782 -2.564 -14.953
183 HG13 ILE 25 1HG1 ILE 25 -3.133 -2.369 -14.366
184 HG21 ILE 25 1HG2 ILE 25 -5.647 0.650 -13.963
185 HG22 ILE 25 2HG2 ILE 25 -6.241 -0.730 -14.887
186 HG23 ILE 25 3HG2 ILE 25 -5.638 0.699 -15.726
187 HD11 ILE 25 3HD1 ILE 25 -5.708 -1.990 -12.895
188 HD12 ILE 25 1HD1 ILE 25 -4.208 -1.262 -12.321
189 HD13 ILE 25 2HD1 ILE 25 -4.332 -3.013 -12.488
190 H ILE 26 H ILE 26 -2.370 1.401 -15.081
191 HA ILE 26 HA ILE 26 -2.158 3.222 -17.265
192 HB ILE 26 HB ILE 26 -3.541 5.022 -15.984
193 HG12 ILE 26 2HG1 ILE 26 -5.636 3.228 -15.297
194 HG13 ILE 26 1HG1 ILE 26 -4.182 2.665 -14.481
195 HG21 ILE 26 1HG2 ILE 26 -3.946 3.624 -18.237
196 HG22 ILE 26 2HG2 ILE 26 -5.062 4.851 -17.638
197 HG23 ILE 26 3HG2 ILE 26 -5.376 3.144 -17.323
198 HD11 ILE 26 3HD1 ILE 26 -5.895 4.809 -13.785
199 HD12 ILE 26 1HD1 ILE 26 -4.304 5.469 -14.164
200 HD13 ILE 26 2HD1 ILE 26 -4.468 4.213 -12.938
201 H THR 27 H THR 27 -2.484 3.226 -13.711
202 HA THR 27 HA THR 27 -0.498 5.238 -13.354
203 HB THR 27 HB THR 27 -0.632 4.230 -10.910
204 HG1 THR 27 1HG THR 27 -1.864 2.533 -10.924
205 HG21 THR 27 3HG2 THR 27 -1.538 6.408 -11.508
206 HG22 THR 27 1HG2 THR 27 -2.631 5.526 -10.440
207 HG23 THR 27 2HG2 THR 27 -2.979 5.632 -12.165
208 H ALA 28 H ALA 28 1.596 5.036 -12.521
209 HA ALA 28 HA ALA 28 2.921 2.562 -13.271
210 HB1 ALA 28 1HB ALA 28 4.245 4.214 -14.071
211 HB2 ALA 28 2HB ALA 28 4.946 4.110 -12.456
212 HB3 ALA 28 3HB ALA 28 3.756 5.360 -12.821
213 H CYS 29 H CYS 29 2.538 4.608 -10.410
214 HA CYS 29 HA CYS 29 2.788 4.203 -8.188
215 HB2 CYS 29 2HB CYS 29 1.173 2.386 -8.652
216 HB3 CYS 29 1HB CYS 29 2.515 1.305 -9.000
217 H LYS 30 H LYS 30 4.650 4.546 -7.196
218 HA LYS 30 HA LYS 30 7.024 3.078 -8.052
219 HB2 LYS 30 2HB LYS 30 6.806 5.680 -7.713
220 HB3 LYS 30 1HB LYS 30 7.110 5.273 -6.030
221 HG2 LYS 30 2HG LYS 30 9.281 5.124 -6.421
222 HG3 LYS 30 1HG LYS 30 9.004 3.907 -7.668
223 HD2 LYS 30 2HD LYS 30 8.871 5.518 -9.368
224 HD3 LYS 30 1HD LYS 30 8.634 6.836 -8.218
225 HE2 LYS 30 2HE LYS 30 10.920 6.585 -7.428
226 HE3 LYS 30 1HE LYS 30 11.164 5.218 -8.514
227 HZ1 LYS 30 3HZ LYS 30 12.010 6.833 -9.819
228 HZ2 LYS 30 1HZ LYS 30 11.102 8.068 -9.103
229 HZ3 LYS 30 2HZ LYS 30 10.391 7.052 -10.253
230 H ASN 31 H ASN 31 5.822 4.242 -4.932
231 HA ASN 31 HA ASN 31 5.661 1.745 -3.682
232 HB2 ASN 31 2HB ASN 31 8.104 1.699 -3.990
233 HB3 ASN 31 1HB ASN 31 8.243 3.218 -3.111
234 HD21 ASN 31 1HD2 ASN 31 7.924 -0.176 -2.892
235 HD22 ASN 31 2HD2 ASN 31 7.948 -0.297 -1.169
236 H CYS 32 H CYS 32 5.354 1.913 -1.336
237 HA CYS 32 HA CYS 32 4.701 4.648 -0.464
238 HB2 CYS 32 2HB CYS 32 3.010 2.163 -0.275
239 HB3 CYS 32 1HB CYS 32 2.764 3.532 0.800
240 H ALA 33 H ALA 33 4.779 1.335 0.861
241 HA ALA 33 HA ALA 33 6.083 2.397 3.265
242 HB1 ALA 33 1HB ALA 33 4.767 -0.278 2.801
243 HB2 ALA 33 2HB ALA 33 4.048 1.103 3.629
244 HB3 ALA 33 3HB ALA 33 5.447 0.287 4.327
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 -17.821 13.491 -9.364
2 H2 ALA 1 2HT ALA 1 -16.774 12.160 -9.096
3 H3 ALA 1 3HT ALA 1 -16.164 13.762 -9.025
4 HA ALA 1 HA ALA 1 -17.179 14.221 -7.064
5 HB1 ALA 1 2HB ALA 1 -18.968 12.906 -6.103
6 HB2 ALA 1 3HB ALA 1 -18.855 11.739 -7.420
7 HB3 ALA 1 1HB ALA 1 -19.394 13.387 -7.745
8 H ASP 2 H ASP 2 -16.348 13.610 -5.084
9 HA ASP 2 HA ASP 2 -14.560 11.285 -5.161
10 HB2 ASP 2 2HB ASP 2 -14.492 13.924 -3.800
11 HB3 ASP 2 1HB ASP 2 -13.792 12.563 -2.926
12 H ARG 3 H ARG 3 -15.760 9.564 -4.523
13 HA ARG 3 HA ARG 3 -16.523 9.454 -1.741
14 HB2 ARG 3 2HB ARG 3 -18.522 10.386 -3.024
15 HB3 ARG 3 1HB ARG 3 -18.641 8.806 -3.786
16 HG2 ARG 3 2HG ARG 3 -19.000 7.756 -1.640
17 HG3 ARG 3 1HG ARG 3 -18.773 9.301 -0.818
18 HD2 ARG 3 2HD ARG 3 -20.803 9.353 -2.928
19 HD3 ARG 3 1HD ARG 3 -21.179 8.258 -1.597
20 HE ARG 3 HE ARG 3 -21.130 11.132 -1.522
21 HH11 ARG 3 1HH1 ARG 3 -20.873 8.214 0.376
22 HH12 ARG 3 2HH1 ARG 3 -21.352 8.983 1.852
23 HH21 ARG 3 1HH2 ARG 3 -21.759 12.145 0.419
24 HH22 ARG 3 2HH2 ARG 3 -21.855 11.214 1.876
25 H GLY 4 H GLY 4 -16.158 7.473 -0.937
26 HA2 GLY 4 2HA GLY 4 -16.593 5.019 -1.420
27 HA3 GLY 4 1HA GLY 4 -15.658 5.308 -2.880
28 H TRP 5 H TRP 5 -13.570 4.822 -2.791
29 HA TRP 5 HA TRP 5 -12.076 5.194 -0.328
30 HB2 TRP 5 2HB TRP 5 -13.094 2.642 -1.050
31 HB3 TRP 5 1HB TRP 5 -11.354 2.604 -1.313
32 HD1 TRP 5 HD TRP 5 -9.811 3.263 0.898
33 HE1 TRP 5 1HE TRP 5 -10.259 2.781 3.385
34 HE3 TRP 5 3HE TRP 5 -14.842 2.377 0.662
35 HZ2 TRP 5 2HZ TRP 5 -12.453 2.113 5.031
36 HZ3 TRP 5 3HZ TRP 5 -16.040 1.823 2.739
37 HH2 TRP 5 HH TRP 5 -14.869 1.694 4.877
38 H ILE 6 H ILE 6 -9.749 3.963 -0.939
39 HA ILE 6 HA ILE 6 -8.981 4.839 -3.624
40 HB ILE 6 HB ILE 6 -8.503 6.737 -2.143
41 HG12 ILE 6 2HG1 ILE 6 -6.062 6.938 -2.649
42 HG13 ILE 6 1HG1 ILE 6 -6.064 5.243 -3.128
43 HG21 ILE 6 1HG2 ILE 6 -6.832 6.548 -0.370
44 HG22 ILE 6 2HG2 ILE 6 -6.729 4.810 -0.653
45 HG23 ILE 6 3HG2 ILE 6 -8.229 5.518 -0.054
46 HD11 ILE 6 3HD1 ILE 6 -7.673 5.755 -4.897
47 HD12 ILE 6 1HD1 ILE 6 -6.186 6.690 -5.063
48 HD13 ILE 6 2HD1 ILE 6 -7.642 7.454 -4.422
49 H LYS 7 H LYS 7 -7.309 3.686 -4.530
50 HA LYS 7 HA LYS 7 -6.394 1.364 -2.973
51 HB2 LYS 7 2HB LYS 7 -5.912 0.365 -5.237
52 HB3 LYS 7 1HB LYS 7 -7.612 0.645 -4.885
53 HG2 LYS 7 2HG LYS 7 -6.286 2.878 -6.231
54 HG3 LYS 7 1HG LYS 7 -6.337 1.387 -7.171
55 HD2 LYS 7 2HD LYS 7 -8.531 1.587 -7.548
56 HD3 LYS 7 1HD LYS 7 -8.866 1.956 -5.855
57 HE2 LYS 7 2HE LYS 7 -9.497 3.929 -6.831
58 HE3 LYS 7 1HE LYS 7 -7.801 4.275 -6.496
59 HZ1 LYS 7 3HZ LYS 7 -8.173 4.939 -8.699
60 HZ2 LYS 7 1HZ LYS 7 -9.031 3.532 -9.083
61 HZ3 LYS 7 2HZ LYS 7 -7.360 3.461 -8.825
62 H DBB 8 H DBB 8 -4.310 1.155 -2.489
63 HA DBB 8 HA DBB 8 -2.154 1.869 -4.105
64 HB3 DBB 8 HB DBB 8 -1.821 0.250 -2.384
65 HG1 DBB 8 3HG2 DBB 8 0.106 0.984 -1.207
66 HG2 DBB 8 1HG2 DBB 8 -0.387 2.674 -1.316
67 HG3 DBB 8 2HG2 DBB 8 0.129 1.810 -2.765
68 H LEU 9 H LEU 9 -3.585 3.616 -1.353
69 HA LEU 9 HA LEU 9 -2.944 6.139 -2.496
70 HB2 LEU 9 2HB LEU 9 -4.014 7.111 -0.634
71 HB3 LEU 9 1HB LEU 9 -4.906 5.651 -1.009
72 HG LEU 9 HG LEU 9 -2.790 5.642 1.121
73 HD11 LEU 9 1HD1 LEU 9 -4.802 5.962 2.694
74 HD12 LEU 9 2HD1 LEU 9 -5.591 6.689 1.294
75 HD13 LEU 9 3HD1 LEU 9 -4.100 7.387 1.927
76 HD21 LEU 9 3HD2 LEU 9 -3.394 3.477 0.979
77 HD22 LEU 9 1HD2 LEU 9 -4.907 3.847 0.153
78 HD23 LEU 9 2HD2 LEU 9 -4.802 3.996 1.906
79 H DBB 10 H DBB 10 -1.326 4.051 -0.237
80 HA DBB 10 HA DBB 10 0.358 6.028 0.913
81 HB3 DBB 10 HB DBB 10 1.144 5.950 -1.496
82 HG1 DBB 10 3HG2 DBB 10 3.549 5.873 -0.945
83 HG2 DBB 10 1HG2 DBB 10 3.140 5.252 0.653
84 HG3 DBB 10 2HG2 DBB 10 2.617 6.867 0.175
85 H LYS 11 H LYS 11 1.293 5.263 2.697
86 HA LYS 11 HA LYS 11 2.130 2.549 3.003
87 HB2 LYS 11 2HB LYS 11 2.618 3.201 5.332
88 HB3 LYS 11 1HB LYS 11 3.302 4.326 4.166
89 HG2 LYS 11 2HG LYS 11 0.937 5.521 4.638
90 HG3 LYS 11 1HG LYS 11 1.211 4.736 6.195
91 HD2 LYS 11 2HD LYS 11 2.394 6.601 6.644
92 HD3 LYS 11 1HD LYS 11 3.661 5.784 5.725
93 HE2 LYS 11 2HE LYS 11 3.194 7.016 3.780
94 HE3 LYS 11 1HE LYS 11 1.634 7.558 4.397
95 HZ1 LYS 11 3HZ LYS 11 4.280 8.368 5.477
96 HZ2 LYS 11 1HZ LYS 11 2.775 8.912 6.027
97 HZ3 LYS 11 2HZ LYS 11 3.303 9.313 4.471
98 H ASP 12 H ASP 12 -0.895 3.966 3.136
99 HA ASP 12 HA ASP 12 -1.956 2.293 5.251
100 HB2 ASP 12 2HB ASP 12 -2.989 4.513 3.559
101 HB3 ASP 12 1HB ASP 12 -4.164 3.367 4.201
102 H CYS 13 H CYS 13 -0.811 1.057 2.804
103 HA CYS 13 HA CYS 13 -3.213 -0.364 1.863
104 HB2 CYS 13 2HB CYS 13 -0.625 0.224 0.420
105 HB3 CYS 13 1HB CYS 13 -1.838 -0.900 -0.181
106 HA PRO 14 HA PRO 14 -0.583 -3.487 4.008
107 HB2 PRO 14 2HB PRO 14 -2.893 -4.416 5.420
108 HB3 PRO 14 1HB PRO 14 -1.504 -3.545 6.069
109 HG2 PRO 14 2HG PRO 14 -4.071 -2.532 5.908
110 HG3 PRO 14 1HG PRO 14 -2.601 -1.554 6.049
111 HD2 PRO 14 2HD PRO 14 -4.231 -2.194 3.627
112 HD3 PRO 14 1HD PRO 14 -3.399 -0.689 4.065
113 H ASN 15 H ASN 15 -3.492 -3.594 2.183
114 HA ASN 15 HA ASN 15 -3.816 -6.409 2.046
115 HB2 ASN 15 2HB ASN 15 -5.437 -4.429 1.388
116 HB3 ASN 15 1HB ASN 15 -4.695 -4.638 -0.195
117 HD21 ASN 15 1HD2 ASN 15 -6.884 -5.898 2.114
118 HD22 ASN 15 2HD2 ASN 15 -7.432 -7.251 1.191
119 H VAL 16 H VAL 16 -2.793 -4.201 -0.561
120 HA VAL 16 HA VAL 16 -1.244 -6.408 -1.715
121 HB VAL 16 HB VAL 16 -1.084 -4.823 -3.718
122 HG11 VAL 16 1HG1 VAL 16 -3.702 -5.263 -4.120
123 HG12 VAL 16 2HG1 VAL 16 -3.424 -6.338 -2.749
124 HG13 VAL 16 3HG1 VAL 16 -2.477 -6.528 -4.224
125 HG21 VAL 16 3HG2 VAL 16 -1.769 -2.802 -2.421
126 HG22 VAL 16 1HG2 VAL 16 -3.397 -3.474 -2.331
127 HG23 VAL 16 2HG2 VAL 16 -2.697 -3.062 -3.897
128 H ILE 17 H ILE 17 0.824 -6.465 -1.141
129 HA ILE 17 HA ILE 17 2.427 -4.054 -1.376
130 HB ILE 17 HB ILE 17 1.916 -3.898 0.931
131 HG12 ILE 17 2HG1 ILE 17 4.589 -5.293 0.713
132 HG13 ILE 17 1HG1 ILE 17 4.304 -3.597 0.337
133 HG21 ILE 17 1HG2 ILE 17 2.575 -6.831 1.118
134 HG22 ILE 17 2HG2 ILE 17 0.992 -6.080 1.324
135 HG23 ILE 17 3HG2 ILE 17 2.270 -5.782 2.503
136 HD11 ILE 17 3HD1 ILE 17 5.307 -3.951 2.557
137 HD12 ILE 17 1HD1 ILE 17 3.869 -4.852 3.037
138 HD13 ILE 17 2HD1 ILE 17 3.742 -3.139 2.631
139 H SER 18 H SER 18 4.484 -4.430 -1.987
140 HA SER 18 HA SER 18 6.107 -6.592 -1.625
141 HB2 SER 18 2HB SER 18 4.669 -8.153 -2.644
142 HB3 SER 18 1HB SER 18 4.205 -7.028 -3.920
143 HG SER 18 HG SER 18 6.008 -7.467 -4.990
144 H SER 19 H SER 19 4.892 -4.553 -4.260
145 HA SER 19 HA SER 19 7.229 -3.014 -4.449
146 HB2 SER 19 2HB SER 19 8.142 -3.799 -6.582
147 HB3 SER 19 1HB SER 19 8.199 -5.086 -5.379
148 HG SER 19 HG SER 19 6.349 -5.981 -6.327
149 H ILE 20 H ILE 20 4.569 -4.386 -6.318
150 HA ILE 20 HA ILE 20 3.826 -1.678 -7.151
151 HB ILE 20 HB ILE 20 3.625 -4.105 -8.930
152 HG12 ILE 20 2HG1 ILE 20 5.985 -3.390 -8.448
153 HG13 ILE 20 1HG1 ILE 20 5.513 -3.303 -10.138
154 HG21 ILE 20 1HG2 ILE 20 1.999 -2.638 -9.666
155 HG22 ILE 20 2HG2 ILE 20 3.386 -2.182 -10.653
156 HG23 ILE 20 3HG2 ILE 20 2.948 -1.212 -9.247
157 HD11 ILE 20 3HD1 ILE 20 5.091 -0.862 -9.807
158 HD12 ILE 20 1HD1 ILE 20 6.776 -1.359 -9.649
159 HD13 ILE 20 2HD1 ILE 20 5.816 -1.027 -8.207
160 H CYS 21 H CYS 21 1.579 -1.554 -7.861
161 HA CYS 21 HA CYS 21 -0.140 -3.438 -6.394
162 HB2 CYS 21 2HB CYS 21 -0.875 -0.576 -6.965
163 HB3 CYS 21 1HB CYS 21 -1.611 -1.679 -5.812
164 H ALA 22 H ALA 22 0.343 -1.623 -9.323
165 HA ALA 22 HA ALA 22 -0.542 -1.801 -11.409
166 HB1 ALA 22 1HB ALA 22 -0.940 -3.894 -12.161
167 HB2 ALA 22 2HB ALA 22 -2.050 -4.274 -10.844
168 HB3 ALA 22 3HB ALA 22 -0.308 -4.345 -10.577
169 H GLY 23 H GLY 23 -2.567 -1.678 -12.629
170 HA2 GLY 23 2HA GLY 23 -4.896 -1.093 -10.911
171 HA3 GLY 23 1HA GLY 23 -4.400 0.018 -12.178
172 H THR 24 H THR 24 -5.663 -0.097 -13.901
173 HA THR 24 HA THR 24 -6.406 -2.721 -14.948
174 HB THR 24 HB THR 24 -8.511 -0.589 -14.786
175 HG1 THR 24 1HG THR 24 -8.025 -2.579 -12.826
176 HG21 THR 24 3HG2 THR 24 -10.048 -2.463 -14.849
177 HG22 THR 24 1HG2 THR 24 -8.691 -3.590 -14.880
178 HG23 THR 24 2HG2 THR 24 -8.958 -2.493 -16.236
179 H ILE 25 H ILE 25 -4.722 -0.225 -15.640
180 HA ILE 25 HA ILE 25 -5.179 -0.352 -18.454
181 HB ILE 25 HB ILE 25 -5.294 2.347 -18.370
182 HG12 ILE 25 2HG1 ILE 25 -7.386 1.675 -16.353
183 HG13 ILE 25 1HG1 ILE 25 -5.738 1.916 -15.782
184 HG21 ILE 25 1HG2 ILE 25 -7.968 1.645 -18.445
185 HG22 ILE 25 2HG2 ILE 25 -7.127 0.173 -18.930
186 HG23 ILE 25 3HG2 ILE 25 -6.852 1.677 -19.810
187 HD11 ILE 25 3HD1 ILE 25 -7.705 3.853 -16.715
188 HD12 ILE 25 1HD1 ILE 25 -6.097 4.077 -17.403
189 HD13 ILE 25 2HD1 ILE 25 -6.313 4.063 -15.653
190 H ILE 26 H ILE 26 -3.766 1.710 -15.921
191 HA ILE 26 HA ILE 26 -1.138 1.334 -17.139
192 HB ILE 26 HB ILE 26 -2.109 4.069 -16.315
193 HG12 ILE 26 2HG1 ILE 26 -3.317 3.259 -18.323
194 HG13 ILE 26 1HG1 ILE 26 -2.257 4.620 -18.681
195 HG21 ILE 26 1HG2 ILE 26 0.165 4.192 -16.134
196 HG22 ILE 26 2HG2 ILE 26 -0.023 4.585 -17.843
197 HG23 ILE 26 3HG2 ILE 26 0.440 2.954 -17.359
198 HD11 ILE 26 3HD1 ILE 26 -2.369 2.187 -20.005
199 HD12 ILE 26 1HD1 ILE 26 -0.885 2.114 -19.054
200 HD13 ILE 26 2HD1 ILE 26 -1.143 3.441 -20.185
201 H THR 27 H THR 27 0.582 1.510 -15.691
202 HA THR 27 HA THR 27 0.161 0.668 -13.092
203 HB THR 27 HB THR 27 2.557 1.793 -12.796
204 HG1 THR 27 1HG THR 27 2.402 2.884 -14.821
205 HG21 THR 27 3HG2 THR 27 2.187 -0.609 -12.782
206 HG22 THR 27 1HG2 THR 27 3.600 -0.186 -13.748
207 HG23 THR 27 2HG2 THR 27 2.084 -0.610 -14.544
208 H ALA 28 H ALA 28 -0.650 1.641 -11.401
209 HA ALA 28 HA ALA 28 -0.307 4.555 -11.128
210 HB1 ALA 28 1HB ALA 28 -2.601 3.332 -9.767
211 HB2 ALA 28 2HB ALA 28 -2.667 3.316 -11.529
212 HB3 ALA 28 3HB ALA 28 -2.484 4.844 -10.668
213 H CYS 29 H CYS 29 1.264 2.205 -10.078
214 HA CYS 29 HA CYS 29 1.362 3.119 -7.313
215 HB2 CYS 29 2HB CYS 29 -0.089 1.236 -7.082
216 HB3 CYS 29 1HB CYS 29 0.908 0.253 -8.145
217 H LYS 30 H LYS 30 3.398 3.677 -6.957
218 HA LYS 30 HA LYS 30 5.533 2.338 -8.448
219 HB2 LYS 30 2HB LYS 30 5.329 4.997 -7.075
220 HB3 LYS 30 1HB LYS 30 6.899 4.304 -7.459
221 HG2 LYS 30 2HG LYS 30 6.491 5.657 -9.278
222 HG3 LYS 30 1HG LYS 30 5.945 4.080 -9.853
223 HD2 LYS 30 2HD LYS 30 3.647 4.926 -8.829
224 HD3 LYS 30 1HD LYS 30 4.374 6.502 -9.152
225 HE2 LYS 30 2HE LYS 30 4.703 5.893 -11.483
226 HE3 LYS 30 1HE LYS 30 4.046 4.286 -11.173
227 HZ1 LYS 30 3HZ LYS 30 1.917 5.181 -10.770
228 HZ2 LYS 30 1HZ LYS 30 2.470 5.930 -12.183
229 HZ3 LYS 30 2HZ LYS 30 2.496 6.769 -10.716
230 H ASN 31 H ASN 31 5.066 3.671 -5.202
231 HA ASN 31 HA ASN 31 5.681 1.333 -3.801
232 HB2 ASN 31 2HB ASN 31 7.955 1.840 -2.995
233 HB3 ASN 31 1HB ASN 31 7.928 1.582 -4.738
234 HD21 ASN 31 1HD2 ASN 31 9.140 3.475 -2.365
235 HD22 ASN 31 2HD2 ASN 31 9.473 4.908 -3.270
236 H CYS 32 H CYS 32 5.046 1.574 -1.751
237 HA CYS 32 HA CYS 32 4.753 4.320 -0.723
238 HB2 CYS 32 2HB CYS 32 2.982 1.904 -0.373
239 HB3 CYS 32 1HB CYS 32 2.853 3.332 0.645
240 H ALA 33 H ALA 33 4.804 0.970 0.510
241 HA ALA 33 HA ALA 33 6.105 1.863 2.945
242 HB1 ALA 33 1HB ALA 33 4.250 0.013 2.622
243 HB2 ALA 33 2HB ALA 33 5.476 -0.123 3.882
244 HB3 ALA 33 3HB ALA 33 5.657 -1.020 2.374
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 -12.781 -1.323 5.244
2 H2 ALA 1 2HT ALA 1 -13.828 -1.706 6.550
3 H3 ALA 1 3HT ALA 1 -12.232 -1.158 6.859
4 HA ALA 1 HA ALA 1 -14.070 0.467 7.171
5 HB1 ALA 1 2HB ALA 1 -12.681 2.208 5.766
6 HB2 ALA 1 3HB ALA 1 -11.569 0.848 5.609
7 HB3 ALA 1 1HB ALA 1 -12.006 1.448 7.208
8 H ASP 2 H ASP 2 -15.636 1.726 6.241
9 HA ASP 2 HA ASP 2 -16.523 0.887 3.595
10 HB2 ASP 2 2HB ASP 2 -17.923 1.315 5.867
11 HB3 ASP 2 1HB ASP 2 -18.086 2.898 5.110
12 H ARG 3 H ARG 3 -15.687 3.870 5.323
13 HA ARG 3 HA ARG 3 -15.778 5.362 2.811
14 HB2 ARG 3 2HB ARG 3 -16.067 6.022 5.637
15 HB3 ARG 3 1HB ARG 3 -14.981 7.124 4.802
16 HG2 ARG 3 2HG ARG 3 -16.831 8.231 4.240
17 HG3 ARG 3 1HG ARG 3 -17.072 6.949 3.052
18 HD2 ARG 3 2HD ARG 3 -19.098 6.897 4.111
19 HD3 ARG 3 1HD ARG 3 -18.208 5.734 5.094
20 HE ARG 3 HE ARG 3 -18.434 7.150 6.865
21 HH11 ARG 3 1HH1 ARG 3 -18.870 8.993 3.933
22 HH12 ARG 3 2HH1 ARG 3 -19.295 10.450 4.765
23 HH21 ARG 3 1HH2 ARG 3 -18.994 9.067 7.961
24 HH22 ARG 3 2HH2 ARG 3 -19.366 10.493 7.051
25 H GLY 4 H GLY 4 -13.972 4.967 1.649
26 HA2 GLY 4 2HA GLY 4 -11.585 6.213 2.123
27 HA3 GLY 4 1HA GLY 4 -11.393 4.634 2.868
28 H TRP 5 H TRP 5 -11.647 6.396 -0.106
29 HA TRP 5 HA TRP 5 -11.337 3.933 -1.664
30 HB2 TRP 5 2HB TRP 5 -12.942 6.070 -2.132
31 HB3 TRP 5 1HB TRP 5 -11.525 6.526 -3.073
32 HD1 TRP 5 HD TRP 5 -10.848 3.419 -3.926
33 HE1 TRP 5 1HE TRP 5 -12.274 2.374 -5.799
34 HE3 TRP 5 3HE TRP 5 -14.894 6.537 -3.703
35 HZ2 TRP 5 2HZ TRP 5 -14.782 2.814 -7.020
36 HZ3 TRP 5 3HZ TRP 5 -16.763 6.157 -5.259
37 HH2 TRP 5 HH TRP 5 -16.706 4.334 -6.881
38 H ILE 6 H ILE 6 -10.057 5.283 -3.902
39 HA ILE 6 HA ILE 6 -7.993 5.784 -4.713
40 HB ILE 6 HB ILE 6 -7.310 6.677 -1.914
41 HG12 ILE 6 2HG1 ILE 6 -7.947 8.751 -3.874
42 HG13 ILE 6 1HG1 ILE 6 -9.318 7.705 -3.518
43 HG21 ILE 6 1HG2 ILE 6 -6.029 7.028 -4.591
44 HG22 ILE 6 2HG2 ILE 6 -5.298 6.585 -3.048
45 HG23 ILE 6 3HG2 ILE 6 -5.810 8.247 -3.335
46 HD11 ILE 6 3HD1 ILE 6 -7.681 9.134 -1.439
47 HD12 ILE 6 1HD1 ILE 6 -9.165 8.217 -1.180
48 HD13 ILE 6 2HD1 ILE 6 -9.208 9.721 -2.101
49 H LYS 7 H LYS 7 -7.782 3.444 -4.923
50 HA LYS 7 HA LYS 7 -6.568 1.811 -2.988
51 HB2 LYS 7 2HB LYS 7 -6.149 0.246 -4.816
52 HB3 LYS 7 1HB LYS 7 -7.771 0.916 -4.933
53 HG2 LYS 7 2HG LYS 7 -5.625 2.287 -6.442
54 HG3 LYS 7 1HG LYS 7 -6.154 0.709 -7.025
55 HD2 LYS 7 2HD LYS 7 -7.946 1.642 -7.950
56 HD3 LYS 7 1HD LYS 7 -8.466 2.231 -6.369
57 HE2 LYS 7 2HE LYS 7 -7.193 4.254 -6.647
58 HE3 LYS 7 1HE LYS 7 -6.485 3.650 -8.145
59 HZ1 LYS 7 3HZ LYS 7 -8.466 3.910 -9.283
60 HZ2 LYS 7 1HZ LYS 7 -8.449 5.271 -8.278
61 HZ3 LYS 7 2HZ LYS 7 -9.408 3.937 -7.879
62 H DBB 8 H DBB 8 -4.454 1.220 -2.611
63 HA DBB 8 HA DBB 8 -2.243 1.849 -4.188
64 HB3 DBB 8 HB DBB 8 -2.070 0.172 -2.497
65 HG1 DBB 8 3HG2 DBB 8 -0.073 1.851 -2.897
66 HG2 DBB 8 1HG2 DBB 8 0.004 0.597 -1.663
67 HG3 DBB 8 2HG2 DBB 8 -0.384 2.253 -1.207
68 H LEU 9 H LEU 9 -3.660 3.605 -1.455
69 HA LEU 9 HA LEU 9 -2.955 6.126 -2.491
70 HB2 LEU 9 2HB LEU 9 -4.843 6.059 -1.111
71 HB3 LEU 9 1HB LEU 9 -4.000 5.184 0.152
72 HG LEU 9 HG LEU 9 -3.052 7.932 -0.487
73 HD11 LEU 9 1HD1 LEU 9 -5.285 8.532 -0.406
74 HD12 LEU 9 2HD1 LEU 9 -4.793 8.685 1.281
75 HD13 LEU 9 3HD1 LEU 9 -5.691 7.263 0.750
76 HD21 LEU 9 3HD2 LEU 9 -2.235 6.146 1.301
77 HD22 LEU 9 1HD2 LEU 9 -3.528 6.880 2.250
78 HD23 LEU 9 2HD2 LEU 9 -2.211 7.878 1.633
79 H DBB 10 H DBB 10 -1.455 4.113 -0.022
80 HA DBB 10 HA DBB 10 0.346 6.008 0.965
81 HB3 DBB 10 HB DBB 10 1.257 6.088 -1.275
82 HG1 DBB 10 3HG2 DBB 10 3.610 5.198 -0.832
83 HG2 DBB 10 1HG2 DBB 10 2.996 4.708 0.747
84 HG3 DBB 10 2HG2 DBB 10 2.974 6.407 0.281
85 H LYS 11 H LYS 11 1.405 5.251 2.701
86 HA LYS 11 HA LYS 11 2.172 2.553 3.082
87 HB2 LYS 11 2HB LYS 11 1.830 4.815 5.054
88 HB3 LYS 11 1HB LYS 11 2.539 3.257 5.454
89 HG2 LYS 11 2HG LYS 11 4.377 3.632 3.984
90 HG3 LYS 11 1HG LYS 11 3.620 5.082 3.321
91 HD2 LYS 11 2HD LYS 11 4.980 6.111 4.811
92 HD3 LYS 11 1HD LYS 11 3.655 5.748 5.919
93 HE2 LYS 11 2HE LYS 11 5.145 4.676 7.180
94 HE3 LYS 11 1HE LYS 11 5.196 3.441 5.923
95 HZ1 LYS 11 3HZ LYS 11 7.007 4.670 4.866
96 HZ2 LYS 11 1HZ LYS 11 7.408 4.208 6.444
97 HZ3 LYS 11 2HZ LYS 11 6.976 5.810 6.115
98 H ASP 12 H ASP 12 -0.871 3.983 3.203
99 HA ASP 12 HA ASP 12 -1.930 2.261 5.283
100 HB2 ASP 12 2HB ASP 12 -2.784 4.671 3.923
101 HB3 ASP 12 1HB ASP 12 -4.072 3.470 3.941
102 H CYS 13 H CYS 13 -0.785 1.110 2.799
103 HA CYS 13 HA CYS 13 -3.176 -0.306 1.822
104 HB2 CYS 13 2HB CYS 13 -0.637 0.496 0.417
105 HB3 CYS 13 1HB CYS 13 -1.641 -0.814 -0.194
106 HA PRO 14 HA PRO 14 -0.540 -3.508 3.765
107 HB2 PRO 14 2HB PRO 14 -2.397 -4.408 5.545
108 HB3 PRO 14 1HB PRO 14 -1.297 -3.069 5.872
109 HG2 PRO 14 2HG PRO 14 -4.173 -3.019 5.460
110 HG3 PRO 14 1HG PRO 14 -3.110 -1.730 6.039
111 HD2 PRO 14 2HD PRO 14 -4.211 -2.155 3.372
112 HD3 PRO 14 1HD PRO 14 -3.392 -0.725 4.031
113 H ASN 15 H ASN 15 -2.203 -3.699 1.325
114 HA ASN 15 HA ASN 15 -2.276 -6.476 1.053
115 HB2 ASN 15 2HB ASN 15 -4.722 -5.280 2.138
116 HB3 ASN 15 1HB ASN 15 -4.998 -6.255 0.699
117 HD21 ASN 15 1HD2 ASN 15 -5.374 -6.501 3.769
118 HD22 ASN 15 2HD2 ASN 15 -4.847 -8.115 4.087
119 H VAL 16 H VAL 16 -4.903 -4.487 -0.205
120 HA VAL 16 HA VAL 16 -5.483 -3.998 -2.361
121 HB VAL 16 HB VAL 16 -2.574 -3.238 -2.631
122 HG11 VAL 16 1HG1 VAL 16 -3.963 -1.355 -3.957
123 HG12 VAL 16 2HG1 VAL 16 -5.027 -2.742 -4.192
124 HG13 VAL 16 3HG1 VAL 16 -3.344 -2.824 -4.713
125 HG21 VAL 16 3HG2 VAL 16 -3.100 -2.074 -0.726
126 HG22 VAL 16 1HG2 VAL 16 -4.812 -1.963 -1.134
127 HG23 VAL 16 2HG2 VAL 16 -3.641 -0.931 -1.954
128 H ILE 17 H ILE 17 -5.876 -6.172 -3.025
129 HA ILE 17 HA ILE 17 -3.918 -7.122 -4.992
130 HB ILE 17 HB ILE 17 -5.486 -9.061 -3.319
131 HG12 ILE 17 2HG1 ILE 17 -2.903 -9.261 -2.397
132 HG13 ILE 17 1HG1 ILE 17 -3.100 -7.520 -2.568
133 HG21 ILE 17 1HG2 ILE 17 -4.505 -9.735 -5.519
134 HG22 ILE 17 2HG2 ILE 17 -3.942 -10.677 -4.139
135 HG23 ILE 17 3HG2 ILE 17 -2.910 -9.426 -4.832
136 HD11 ILE 17 3HD1 ILE 17 -3.948 -9.151 -0.459
137 HD12 ILE 17 1HD1 ILE 17 -5.409 -8.636 -1.300
138 HD13 ILE 17 2HD1 ILE 17 -4.271 -7.434 -0.695
139 H SER 18 H SER 18 -4.758 -7.668 -6.892
140 HA SER 18 HA SER 18 -7.251 -8.788 -7.402
141 HB2 SER 18 2HB SER 18 -8.033 -6.452 -8.582
142 HB3 SER 18 1HB SER 18 -8.603 -7.010 -7.010
143 HG SER 18 HG SER 18 -7.837 -5.103 -6.459
144 H SER 19 H SER 19 -4.802 -6.535 -8.564
145 HA SER 19 HA SER 19 -4.039 -8.136 -10.733
146 HB2 SER 19 2HB SER 19 -4.855 -6.618 -12.588
147 HB3 SER 19 1HB SER 19 -6.105 -7.586 -11.806
148 HG SER 19 HG SER 19 -5.508 -4.859 -11.296
149 H ILE 20 H ILE 20 -2.060 -7.533 -9.726
150 HA ILE 20 HA ILE 20 -0.132 -6.340 -9.524
151 HB ILE 20 HB ILE 20 -1.193 -4.656 -11.785
152 HG12 ILE 20 2HG1 ILE 20 0.393 -7.223 -11.923
153 HG13 ILE 20 1HG1 ILE 20 -1.322 -7.076 -12.292
154 HG21 ILE 20 1HG2 ILE 20 0.859 -3.762 -11.959
155 HG22 ILE 20 2HG2 ILE 20 1.664 -5.292 -11.609
156 HG23 ILE 20 3HG2 ILE 20 1.048 -4.295 -10.288
157 HD11 ILE 20 3HD1 ILE 20 1.000 -5.922 -13.801
158 HD12 ILE 20 1HD1 ILE 20 -0.664 -5.400 -14.061
159 HD13 ILE 20 2HD1 ILE 20 -0.209 -7.077 -14.361
160 H CYS 21 H CYS 21 -2.118 -5.617 -7.775
161 HA CYS 21 HA CYS 21 -2.792 -3.988 -6.344
162 HB2 CYS 21 2HB CYS 21 -0.260 -2.653 -7.304
163 HB3 CYS 21 1HB CYS 21 -1.127 -2.294 -5.825
164 H ALA 22 H ALA 22 -3.434 -3.761 -9.331
165 HA ALA 22 HA ALA 22 -4.555 -2.365 -10.723
166 HB1 ALA 22 1HB ALA 22 -5.252 -0.428 -8.616
167 HB2 ALA 22 2HB ALA 22 -5.715 -2.101 -8.301
168 HB3 ALA 22 3HB ALA 22 -6.285 -1.288 -9.759
169 H GLY 23 H GLY 23 -4.618 -0.177 -11.662
170 HA2 GLY 23 2HA GLY 23 -3.704 1.941 -12.072
171 HA3 GLY 23 1HA GLY 23 -2.503 1.641 -10.824
172 H THR 24 H THR 24 -0.501 1.370 -11.518
173 HA THR 24 HA THR 24 0.064 1.115 -14.315
174 HB THR 24 HB THR 24 1.467 2.487 -12.838
175 HG1 THR 24 1HG THR 24 2.913 0.272 -13.855
176 HG21 THR 24 3HG2 THR 24 3.059 1.469 -11.311
177 HG22 THR 24 1HG2 THR 24 2.334 -0.114 -11.598
178 HG23 THR 24 2HG2 THR 24 1.399 1.154 -10.806
179 H ILE 25 H ILE 25 1.434 -0.536 -15.252
180 HA ILE 25 HA ILE 25 1.192 -3.145 -13.909
181 HB ILE 25 HB ILE 25 0.888 -4.183 -16.123
182 HG12 ILE 25 2HG1 ILE 25 -0.036 -2.227 -17.791
183 HG13 ILE 25 1HG1 ILE 25 1.299 -1.401 -16.994
184 HG21 ILE 25 1HG2 ILE 25 -1.372 -3.950 -16.076
185 HG22 ILE 25 2HG2 ILE 25 -1.299 -2.189 -15.995
186 HG23 ILE 25 3HG2 ILE 25 -0.989 -3.152 -14.550
187 HD11 ILE 25 3HD1 ILE 25 1.428 -3.140 -19.165
188 HD12 ILE 25 1HD1 ILE 25 2.095 -4.036 -17.801
189 HD13 ILE 25 2HD1 ILE 25 2.774 -2.470 -18.243
190 H ILE 26 H ILE 26 3.102 -4.034 -13.524
191 HA ILE 26 HA ILE 26 5.264 -3.703 -15.478
192 HB ILE 26 HB ILE 26 5.740 -3.421 -12.513
193 HG12 ILE 26 2HG1 ILE 26 6.349 -0.983 -13.575
194 HG13 ILE 26 1HG1 ILE 26 4.948 -1.433 -14.542
195 HG21 ILE 26 1HG2 ILE 26 7.958 -2.797 -13.110
196 HG22 ILE 26 2HG2 ILE 26 7.547 -2.746 -14.824
197 HG23 ILE 26 3HG2 ILE 26 7.582 -4.288 -13.971
198 HD11 ILE 26 3HD1 ILE 26 4.520 -0.087 -12.444
199 HD12 ILE 26 1HD1 ILE 26 4.925 -1.552 -11.547
200 HD13 ILE 26 2HD1 ILE 26 3.557 -1.550 -12.660
201 H THR 27 H THR 27 4.821 -5.172 -12.256
202 HA THR 27 HA THR 27 4.936 -7.837 -13.306
203 HB THR 27 HB THR 27 7.159 -7.368 -11.403
204 HG1 THR 27 1HG THR 27 7.430 -6.697 -14.141
205 HG21 THR 27 3HG2 THR 27 8.317 -8.982 -12.797
206 HG22 THR 27 1HG2 THR 27 6.966 -8.986 -13.932
207 HG23 THR 27 2HG2 THR 27 6.742 -9.595 -12.291
208 H ALA 28 H ALA 28 5.936 -6.295 -10.250
209 HA ALA 28 HA ALA 28 3.776 -7.786 -8.906
210 HB1 ALA 28 1HB ALA 28 6.633 -7.412 -8.171
211 HB2 ALA 28 2HB ALA 28 5.601 -8.835 -8.018
212 HB3 ALA 28 3HB ALA 28 5.438 -7.500 -6.877
213 H CYS 29 H CYS 29 3.923 -4.999 -10.026
214 HA CYS 29 HA CYS 29 3.226 -2.913 -9.518
215 HB2 CYS 29 2HB CYS 29 1.400 -2.759 -8.155
216 HB3 CYS 29 1HB CYS 29 1.459 -4.503 -8.349
217 H LYS 30 H LYS 30 4.023 -1.080 -8.619
218 HA LYS 30 HA LYS 30 6.428 -1.255 -7.145
219 HB2 LYS 30 2HB LYS 30 5.673 0.586 -8.764
220 HB3 LYS 30 1HB LYS 30 4.765 1.241 -7.408
221 HG2 LYS 30 2HG LYS 30 6.577 2.227 -6.606
222 HG3 LYS 30 1HG LYS 30 7.456 0.697 -6.592
223 HD2 LYS 30 2HD LYS 30 7.087 2.251 -9.130
224 HD3 LYS 30 1HD LYS 30 8.390 2.640 -8.006
225 HE2 LYS 30 2HE LYS 30 9.612 0.934 -8.745
226 HE3 LYS 30 1HE LYS 30 8.287 -0.196 -8.468
227 HZ1 LYS 30 3HZ LYS 30 9.271 0.340 -10.872
228 HZ2 LYS 30 1HZ LYS 30 8.043 1.503 -10.813
229 HZ3 LYS 30 2HZ LYS 30 7.668 -0.134 -10.617
230 H ASN 31 H ASN 31 3.101 -0.793 -6.230
231 HA ASN 31 HA ASN 31 2.054 -0.652 -4.215
232 HB2 ASN 31 2HB ASN 31 3.863 -2.658 -3.973
233 HB3 ASN 31 1HB ASN 31 4.386 -1.601 -2.665
234 HD21 ASN 31 1HD2 ASN 31 3.750 -2.987 -1.054
235 HD22 ASN 31 2HD2 ASN 31 2.091 -3.304 -0.686
236 H CYS 32 H CYS 32 2.808 -0.050 -1.679
237 HA CYS 32 HA CYS 32 4.122 2.575 -1.956
238 HB2 CYS 32 2HB CYS 32 1.615 1.758 -0.580
239 HB3 CYS 32 1HB CYS 32 2.606 2.975 0.210
240 H ALA 33 H ALA 33 3.501 -0.166 0.193
241 HA ALA 33 HA ALA 33 5.332 0.713 2.209
242 HB1 ALA 33 1HB ALA 33 3.285 -1.009 2.249
243 HB2 ALA 33 2HB ALA 33 4.597 -1.048 3.428
244 HB3 ALA 33 3HB ALA 33 4.615 -2.150 2.052
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 -10.696 13.749 -12.908
2 H2 ALA 1 2HT ALA 1 -12.101 13.337 -13.804
3 H3 ALA 1 3HT ALA 1 -10.704 12.344 -13.888
4 HA ALA 1 HA ALA 1 -10.963 11.558 -11.777
5 HB1 ALA 1 2HB ALA 1 -11.971 12.634 -10.059
6 HB2 ALA 1 3HB ALA 1 -13.271 13.264 -11.070
7 HB3 ALA 1 1HB ALA 1 -11.685 14.037 -11.090
8 H ASP 2 H ASP 2 -11.650 9.951 -13.345
9 HA ASP 2 HA ASP 2 -14.532 9.740 -13.774
10 HB2 ASP 2 2HB ASP 2 -12.115 8.563 -15.037
11 HB3 ASP 2 1HB ASP 2 -13.570 7.570 -15.028
12 H ARG 3 H ARG 3 -12.006 7.359 -12.958
13 HA ARG 3 HA ARG 3 -13.914 5.768 -11.496
14 HB2 ARG 3 2HB ARG 3 -11.009 5.485 -12.187
15 HB3 ARG 3 1HB ARG 3 -11.733 4.439 -10.973
16 HG2 ARG 3 2HG ARG 3 -12.584 3.132 -12.541
17 HG3 ARG 3 1HG ARG 3 -13.405 4.501 -13.292
18 HD2 ARG 3 2HD ARG 3 -10.482 4.021 -13.741
19 HD3 ARG 3 1HD ARG 3 -11.695 3.153 -14.682
20 HE ARG 3 HE ARG 3 -12.445 5.741 -14.935
21 HH11 ARG 3 1HH1 ARG 3 -9.430 4.062 -15.456
22 HH12 ARG 3 2HH1 ARG 3 -8.903 5.139 -16.706
23 HH21 ARG 3 1HH2 ARG 3 -11.754 7.157 -16.579
24 HH22 ARG 3 2HH2 ARG 3 -10.222 6.896 -17.343
25 H GLY 4 H GLY 4 -14.517 6.362 -9.519
26 HA2 GLY 4 2HA GLY 4 -12.679 7.851 -7.813
27 HA3 GLY 4 1HA GLY 4 -14.384 7.561 -7.503
28 H TRP 5 H TRP 5 -11.462 5.565 -7.973
29 HA TRP 5 HA TRP 5 -12.286 4.005 -5.613
30 HB2 TRP 5 2HB TRP 5 -12.047 2.963 -8.031
31 HB3 TRP 5 1HB TRP 5 -10.337 2.930 -7.609
32 HD1 TRP 5 HD TRP 5 -10.340 1.965 -4.686
33 HE1 TRP 5 1HE TRP 5 -11.187 -0.379 -4.041
34 HE3 TRP 5 3HE TRP 5 -13.282 1.015 -8.758
35 HZ2 TRP 5 2HZ TRP 5 -12.877 -2.368 -5.117
36 HZ3 TRP 5 3HZ TRP 5 -14.478 -1.132 -8.873
37 HH2 TRP 5 HH TRP 5 -14.279 -2.786 -7.090
38 H ILE 6 H ILE 6 -10.948 3.890 -3.913
39 HA ILE 6 HA ILE 6 -8.369 5.274 -4.120
40 HB ILE 6 HB ILE 6 -9.828 4.459 -1.605
41 HG12 ILE 6 2HG1 ILE 6 -9.716 7.309 -2.366
42 HG13 ILE 6 1HG1 ILE 6 -10.755 6.309 -3.376
43 HG21 ILE 6 1HG2 ILE 6 -8.179 5.436 -0.422
44 HG22 ILE 6 2HG2 ILE 6 -7.931 6.709 -1.618
45 HG23 ILE 6 3HG2 ILE 6 -7.225 5.112 -1.870
46 HD11 ILE 6 3HD1 ILE 6 -12.165 7.119 -1.719
47 HD12 ILE 6 1HD1 ILE 6 -10.968 6.876 -0.448
48 HD13 ILE 6 2HD1 ILE 6 -11.772 5.486 -1.179
49 H LYS 7 H LYS 7 -6.771 3.907 -4.626
50 HA LYS 7 HA LYS 7 -6.350 1.592 -2.894
51 HB2 LYS 7 2HB LYS 7 -5.870 0.117 -4.779
52 HB3 LYS 7 1HB LYS 7 -7.524 0.710 -4.858
53 HG2 LYS 7 2HG LYS 7 -5.691 2.418 -6.313
54 HG3 LYS 7 1HG LYS 7 -5.651 0.752 -6.891
55 HD2 LYS 7 2HD LYS 7 -8.033 0.768 -7.251
56 HD3 LYS 7 1HD LYS 7 -8.170 2.369 -6.520
57 HE2 LYS 7 2HE LYS 7 -6.755 3.280 -8.323
58 HE3 LYS 7 1HE LYS 7 -6.702 1.682 -9.065
59 HZ1 LYS 7 3HZ LYS 7 -8.409 2.663 -10.207
60 HZ2 LYS 7 1HZ LYS 7 -8.942 3.573 -8.883
61 HZ3 LYS 7 2HZ LYS 7 -9.277 1.917 -8.962
62 H DBB 8 H DBB 8 -4.238 1.182 -2.453
63 HA DBB 8 HA DBB 8 -2.045 1.872 -4.036
64 HB3 DBB 8 HB DBB 8 -1.803 0.228 -2.308
65 HG1 DBB 8 3HG2 DBB 8 0.166 0.884 -1.150
66 HG2 DBB 8 1HG2 DBB 8 -0.241 2.592 -1.293
67 HG3 DBB 8 2HG2 DBB 8 0.216 1.675 -2.726
68 H LEU 9 H LEU 9 -3.691 3.681 -1.487
69 HA LEU 9 HA LEU 9 -2.856 6.159 -2.574
70 HB2 LEU 9 2HB LEU 9 -3.871 7.114 -0.452
71 HB3 LEU 9 1HB LEU 9 -4.929 6.226 -1.526
72 HG LEU 9 HG LEU 9 -5.057 5.887 1.066
73 HD11 LEU 9 1HD1 LEU 9 -5.286 3.244 0.256
74 HD12 LEU 9 2HD1 LEU 9 -5.587 4.185 -1.203
75 HD13 LEU 9 3HD1 LEU 9 -6.550 4.472 0.246
76 HD21 LEU 9 3HD2 LEU 9 -2.920 3.884 0.359
77 HD22 LEU 9 1HD2 LEU 9 -3.719 4.079 1.917
78 HD23 LEU 9 2HD2 LEU 9 -2.652 5.345 1.307
79 H DBB 10 H DBB 10 -1.201 4.031 -0.548
80 HA DBB 10 HA DBB 10 0.212 6.039 0.956
81 HB3 DBB 10 HB DBB 10 1.243 6.277 -1.252
82 HG1 DBB 10 3HG2 DBB 10 3.632 5.690 -0.621
83 HG2 DBB 10 1HG2 DBB 10 2.971 5.060 0.886
84 HG3 DBB 10 2HG2 DBB 10 2.764 6.761 0.476
85 H LYS 11 H LYS 11 1.344 5.229 2.660
86 HA LYS 11 HA LYS 11 2.110 2.493 2.886
87 HB2 LYS 11 2HB LYS 11 1.849 4.557 5.078
88 HB3 LYS 11 1HB LYS 11 2.764 3.059 5.155
89 HG2 LYS 11 2HG LYS 11 4.364 3.849 3.602
90 HG3 LYS 11 1HG LYS 11 3.361 5.235 3.172
91 HD2 LYS 11 2HD LYS 11 4.881 6.210 4.600
92 HD3 LYS 11 1HD LYS 11 3.575 5.805 5.715
93 HE2 LYS 11 2HE LYS 11 4.961 4.548 6.910
94 HE3 LYS 11 1HE LYS 11 5.302 3.553 5.495
95 HZ1 LYS 11 3HZ LYS 11 6.676 6.126 6.022
96 HZ2 LYS 11 1HZ LYS 11 7.105 4.932 4.902
97 HZ3 LYS 11 2HZ LYS 11 7.274 4.638 6.559
98 H ASP 12 H ASP 12 -0.881 3.969 3.136
99 HA ASP 12 HA ASP 12 -1.929 2.309 5.256
100 HB2 ASP 12 2HB ASP 12 -2.884 4.583 3.645
101 HB3 ASP 12 1HB ASP 12 -4.127 3.412 4.073
102 H CYS 13 H CYS 13 -0.822 1.027 2.813
103 HA CYS 13 HA CYS 13 -3.244 -0.392 1.922
104 HB2 CYS 13 2HB CYS 13 -0.644 0.049 0.439
105 HB3 CYS 13 1HB CYS 13 -1.977 -0.941 -0.143
106 HA PRO 14 HA PRO 14 -0.611 -3.578 3.929
107 HB2 PRO 14 2HB PRO 14 -2.283 -4.207 5.973
108 HB3 PRO 14 1HB PRO 14 -1.119 -2.884 6.052
109 HG2 PRO 14 2HG PRO 14 -4.025 -2.770 5.923
110 HG3 PRO 14 1HG PRO 14 -2.873 -1.476 6.286
111 HD2 PRO 14 2HD PRO 14 -4.231 -2.088 3.776
112 HD3 PRO 14 1HD PRO 14 -3.325 -0.635 4.233
113 H ASN 15 H ASN 15 -3.022 -3.655 1.910
114 HA ASN 15 HA ASN 15 -3.437 -6.544 2.192
115 HB2 ASN 15 2HB ASN 15 -5.425 -5.169 3.044
116 HB3 ASN 15 1HB ASN 15 -5.685 -4.716 1.362
117 HD21 ASN 15 1HD2 ASN 15 -7.474 -6.166 3.036
118 HD22 ASN 15 2HD2 ASN 15 -7.703 -7.722 2.320
119 H VAL 16 H VAL 16 -1.824 -6.677 0.533
120 HA VAL 16 HA VAL 16 -2.854 -6.989 -2.042
121 HB VAL 16 HB VAL 16 -2.901 -4.534 -2.108
122 HG11 VAL 16 1HG1 VAL 16 0.043 -4.306 -2.173
123 HG12 VAL 16 2HG1 VAL 16 -0.693 -4.557 -0.590
124 HG13 VAL 16 3HG1 VAL 16 -1.173 -3.176 -1.577
125 HG21 VAL 16 3HG2 VAL 16 -1.606 -4.240 -4.187
126 HG22 VAL 16 1HG2 VAL 16 -2.552 -5.730 -4.181
127 HG23 VAL 16 2HG2 VAL 16 -0.814 -5.788 -3.887
128 H ILE 17 H ILE 17 -1.718 -8.794 -2.398
129 HA ILE 17 HA ILE 17 1.097 -8.642 -2.854
130 HB ILE 17 HB ILE 17 1.290 -8.955 -0.502
131 HG12 ILE 17 2HG1 ILE 17 1.541 -11.672 -1.800
132 HG13 ILE 17 1HG1 ILE 17 2.738 -10.387 -1.915
133 HG21 ILE 17 1HG2 ILE 17 -1.098 -9.709 -0.228
134 HG22 ILE 17 2HG2 ILE 17 0.084 -10.534 0.790
135 HG23 ILE 17 3HG2 ILE 17 -0.549 -11.331 -0.651
136 HD11 ILE 17 3HD1 ILE 17 1.884 -11.812 0.595
137 HD12 ILE 17 1HD1 ILE 17 3.044 -10.487 0.519
138 HD13 ILE 17 2HD1 ILE 17 3.407 -12.022 -0.269
139 H SER 18 H SER 18 1.925 -10.576 -3.829
140 HA SER 18 HA SER 18 1.846 -12.559 -4.984
141 HB2 SER 18 2HB SER 18 -1.125 -12.775 -4.553
142 HB3 SER 18 1HB SER 18 0.048 -14.063 -4.820
143 HG SER 18 HG SER 18 0.343 -14.149 -2.751
144 H SER 19 H SER 19 -1.002 -10.476 -5.486
145 HA SER 19 HA SER 19 -0.871 -10.975 -8.354
146 HB2 SER 19 2HB SER 19 -2.828 -8.997 -7.627
147 HB3 SER 19 1HB SER 19 -3.077 -10.605 -8.306
148 HG SER 19 HG SER 19 -3.313 -9.732 -5.713
149 H ILE 20 H ILE 20 1.193 -9.390 -6.883
150 HA ILE 20 HA ILE 20 2.496 -7.570 -7.293
151 HB ILE 20 HB ILE 20 0.712 -7.228 -9.708
152 HG12 ILE 20 2HG1 ILE 20 3.519 -8.280 -9.755
153 HG13 ILE 20 1HG1 ILE 20 2.189 -9.359 -9.344
154 HG21 ILE 20 1HG2 ILE 20 3.184 -6.132 -10.276
155 HG22 ILE 20 2HG2 ILE 20 2.842 -5.588 -8.633
156 HG23 ILE 20 3HG2 ILE 20 1.698 -5.249 -9.930
157 HD11 ILE 20 3HD1 ILE 20 2.457 -9.667 -11.621
158 HD12 ILE 20 1HD1 ILE 20 2.745 -7.953 -11.920
159 HD13 ILE 20 2HD1 ILE 20 1.122 -8.519 -11.526
160 H CYS 21 H CYS 21 2.507 -5.648 -6.309
161 HA CYS 21 HA CYS 21 0.254 -4.583 -5.073
162 HB2 CYS 21 2HB CYS 21 2.718 -2.976 -5.750
163 HB3 CYS 21 1HB CYS 21 1.628 -2.763 -4.385
164 H ALA 22 H ALA 22 1.403 -4.155 -8.287
165 HA ALA 22 HA ALA 22 0.438 -3.143 -10.090
166 HB1 ALA 22 1HB ALA 22 -1.779 -2.761 -10.077
167 HB2 ALA 22 2HB ALA 22 -1.706 -1.766 -8.621
168 HB3 ALA 22 3HB ALA 22 -1.703 -3.525 -8.489
169 H GLY 23 H GLY 23 0.882 -1.268 -11.115
170 HA2 GLY 23 2HA GLY 23 0.718 1.311 -10.222
171 HA3 GLY 23 1HA GLY 23 2.278 0.755 -9.637
172 H THR 24 H THR 24 3.461 -0.570 -11.505
173 HA THR 24 HA THR 24 3.079 0.556 -14.132
174 HB THR 24 HB THR 24 5.416 1.471 -14.230
175 HG1 THR 24 1HG THR 24 6.093 0.348 -12.278
176 HG21 THR 24 3HG2 THR 24 3.529 3.000 -13.942
177 HG22 THR 24 1HG2 THR 24 4.976 3.563 -13.106
178 HG23 THR 24 2HG2 THR 24 3.663 2.822 -12.192
179 H ILE 25 H ILE 25 5.198 -0.111 -15.488
180 HA ILE 25 HA ILE 25 5.240 -2.965 -15.392
181 HB ILE 25 HB ILE 25 6.844 -2.797 -17.274
182 HG12 ILE 25 2HG1 ILE 25 6.452 0.133 -17.478
183 HG13 ILE 25 1HG1 ILE 25 7.572 -0.412 -16.233
184 HG21 ILE 25 1HG2 ILE 25 4.658 -0.872 -17.896
185 HG22 ILE 25 2HG2 ILE 25 4.240 -2.504 -17.375
186 HG23 ILE 25 3HG2 ILE 25 5.230 -2.264 -18.815
187 HD11 ILE 25 3HD1 ILE 25 8.984 -1.433 -17.815
188 HD12 ILE 25 1HD1 ILE 25 8.569 0.150 -18.475
189 HD13 ILE 25 2HD1 ILE 25 7.775 -1.300 -19.092
190 H ILE 26 H ILE 26 6.080 -2.769 -13.047
191 HA ILE 26 HA ILE 26 9.009 -2.587 -12.991
192 HB ILE 26 HB ILE 26 7.789 -1.243 -11.324
193 HG12 ILE 26 2HG1 ILE 26 9.264 -3.525 -9.998
194 HG13 ILE 26 1HG1 ILE 26 10.064 -2.222 -10.873
195 HG21 ILE 26 1HG2 ILE 26 6.179 -2.026 -9.972
196 HG22 ILE 26 2HG2 ILE 26 7.019 -3.549 -9.682
197 HG23 ILE 26 3HG2 ILE 26 6.067 -3.332 -11.151
198 HD11 ILE 26 3HD1 ILE 26 8.657 -0.728 -9.216
199 HD12 ILE 26 1HD1 ILE 26 10.212 -1.420 -8.756
200 HD13 ILE 26 2HD1 ILE 26 8.714 -2.194 -8.237
201 H THR 27 H THR 27 10.196 -4.214 -11.746
202 HA THR 27 HA THR 27 9.783 -6.797 -12.619
203 HB THR 27 HB THR 27 11.366 -7.476 -10.808
204 HG1 THR 27 1HG THR 27 11.576 -6.244 -9.144
205 HG21 THR 27 3HG2 THR 27 12.279 -6.602 -12.887
206 HG22 THR 27 1HG2 THR 27 13.261 -6.129 -11.500
207 HG23 THR 27 2HG2 THR 27 12.171 -4.962 -12.249
208 H ALA 28 H ALA 28 9.279 -5.714 -9.249
209 HA ALA 28 HA ALA 28 7.393 -7.935 -8.906
210 HB1 ALA 28 1HB ALA 28 8.789 -8.208 -7.147
211 HB2 ALA 28 2HB ALA 28 7.705 -7.030 -6.407
212 HB3 ALA 28 3HB ALA 28 9.238 -6.504 -7.100
213 H CYS 29 H CYS 29 7.670 -4.687 -7.486
214 HA CYS 29 HA CYS 29 5.283 -3.689 -8.541
215 HB2 CYS 29 2HB CYS 29 3.722 -3.990 -6.858
216 HB3 CYS 29 1HB CYS 29 4.517 -5.550 -6.911
217 H LYS 30 H LYS 30 4.968 -1.538 -8.011
218 HA LYS 30 HA LYS 30 7.209 -0.116 -7.080
219 HB2 LYS 30 2HB LYS 30 5.075 0.561 -8.557
220 HB3 LYS 30 1HB LYS 30 4.562 1.217 -7.009
221 HG2 LYS 30 2HG LYS 30 7.298 1.853 -7.981
222 HG3 LYS 30 1HG LYS 30 5.919 2.666 -8.723
223 HD2 LYS 30 2HD LYS 30 5.873 2.578 -5.787
224 HD3 LYS 30 1HD LYS 30 7.191 3.523 -6.482
225 HE2 LYS 30 2HE LYS 30 5.763 5.038 -7.467
226 HE3 LYS 30 1HE LYS 30 4.423 3.895 -7.528
227 HZ1 LYS 30 3HZ LYS 30 3.960 5.538 -5.880
228 HZ2 LYS 30 1HZ LYS 30 5.457 5.300 -5.126
229 HZ3 LYS 30 2HZ LYS 30 4.283 4.083 -5.080
230 H ASN 31 H ASN 31 4.127 -0.895 -5.564
231 HA ASN 31 HA ASN 31 3.402 -0.812 -3.407
232 HB2 ASN 31 2HB ASN 31 5.532 -2.301 -3.300
233 HB3 ASN 31 1HB ASN 31 6.261 -0.917 -2.494
234 HD21 ASN 31 1HD2 ASN 31 3.062 -2.447 -2.347
235 HD22 ASN 31 2HD2 ASN 31 3.060 -2.668 -0.634
236 H CYS 32 H CYS 32 3.693 0.370 -1.240
237 HA CYS 32 HA CYS 32 4.490 3.148 -1.809
238 HB2 CYS 32 2HB CYS 32 2.095 1.985 -0.574
239 HB3 CYS 32 1HB CYS 32 2.792 3.313 0.342
240 H ALA 33 H ALA 33 6.189 1.001 -0.756
241 HA ALA 33 HA ALA 33 7.064 2.382 1.668
242 HB1 ALA 33 1HB ALA 33 5.774 0.589 2.573
243 HB2 ALA 33 2HB ALA 33 7.476 0.182 2.783
244 HB3 ALA 33 3HB ALA 33 6.539 -0.580 1.499
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 -13.022 10.348 10.248
2 H2 ALA 1 2HT ALA 1 -13.877 11.331 9.131
3 H3 ALA 1 3HT ALA 1 -13.413 11.967 10.656
4 HA ALA 1 HA ALA 1 -11.913 12.845 9.197
5 HB1 ALA 1 2HB ALA 1 -9.876 12.059 10.009
6 HB2 ALA 1 3HB ALA 1 -10.447 10.393 10.105
7 HB3 ALA 1 1HB ALA 1 -11.028 11.593 11.260
8 H ASP 2 H ASP 2 -13.387 11.888 7.275
9 HA ASP 2 HA ASP 2 -13.396 11.112 5.137
10 HB2 ASP 2 2HB ASP 2 -11.200 12.449 5.189
11 HB3 ASP 2 1HB ASP 2 -10.396 10.886 5.302
12 H ARG 3 H ARG 3 -14.292 9.155 5.006
13 HA ARG 3 HA ARG 3 -12.542 6.822 5.302
14 HB2 ARG 3 2HB ARG 3 -14.096 7.298 7.336
15 HB3 ARG 3 1HB ARG 3 -15.374 6.702 6.286
16 HG2 ARG 3 2HG ARG 3 -14.598 4.907 7.664
17 HG3 ARG 3 1HG ARG 3 -14.098 4.601 5.999
18 HD2 ARG 3 2HD ARG 3 -11.869 5.101 6.448
19 HD3 ARG 3 1HD ARG 3 -12.266 5.994 7.916
20 HE ARG 3 HE ARG 3 -12.200 4.028 9.084
21 HH11 ARG 3 1HH1 ARG 3 -12.401 3.302 5.677
22 HH12 ARG 3 2HH1 ARG 3 -12.146 1.603 5.896
23 HH21 ARG 3 1HH2 ARG 3 -11.865 1.793 9.375
24 HH22 ARG 3 2HH2 ARG 3 -11.842 0.747 7.994
25 H GLY 4 H GLY 4 -12.557 7.077 2.943
26 HA2 GLY 4 2HA GLY 4 -15.083 6.272 1.670
27 HA3 GLY 4 1HA GLY 4 -13.703 6.981 0.847
28 H TRP 5 H TRP 5 -11.797 5.651 0.549
29 HA TRP 5 HA TRP 5 -11.686 2.916 1.149
30 HB2 TRP 5 2HB TRP 5 -13.593 2.712 -0.367
31 HB3 TRP 5 1HB TRP 5 -12.698 3.544 -1.634
32 HD1 TRP 5 HD TRP 5 -11.088 0.791 0.500
33 HE1 TRP 5 1HE TRP 5 -10.530 -1.204 -1.026
34 HE3 TRP 5 3HE TRP 5 -13.336 2.404 -3.799
35 HZ2 TRP 5 2HZ TRP 5 -10.982 -1.991 -3.699
36 HZ3 TRP 5 3HZ TRP 5 -13.226 0.971 -5.796
37 HH2 TRP 5 HH TRP 5 -12.073 -1.180 -5.745
38 H ILE 6 H ILE 6 -9.585 2.504 1.120
39 HA ILE 6 HA ILE 6 -7.776 4.182 -0.386
40 HB ILE 6 HB ILE 6 -7.060 1.780 1.292
41 HG12 ILE 6 2HG1 ILE 6 -6.615 4.307 2.609
42 HG13 ILE 6 1HG1 ILE 6 -8.312 4.153 2.165
43 HG21 ILE 6 1HG2 ILE 6 -5.064 2.257 0.392
44 HG22 ILE 6 2HG2 ILE 6 -5.047 3.595 1.542
45 HG23 ILE 6 3HG2 ILE 6 -5.568 3.867 -0.121
46 HD11 ILE 6 3HD1 ILE 6 -7.394 1.696 3.298
47 HD12 ILE 6 1HD1 ILE 6 -8.667 2.781 3.856
48 HD13 ILE 6 2HD1 ILE 6 -7.001 3.039 4.371
49 H LYS 7 H LYS 7 -6.969 3.726 -2.331
50 HA LYS 7 HA LYS 7 -7.070 0.930 -3.261
51 HB2 LYS 7 2HB LYS 7 -7.303 2.003 -5.587
52 HB3 LYS 7 1HB LYS 7 -8.717 1.985 -4.543
53 HG2 LYS 7 2HG LYS 7 -7.095 4.379 -4.211
54 HG3 LYS 7 1HG LYS 7 -7.702 4.171 -5.856
55 HD2 LYS 7 2HD LYS 7 -9.980 3.796 -4.851
56 HD3 LYS 7 1HD LYS 7 -9.296 4.295 -3.302
57 HE2 LYS 7 2HE LYS 7 -8.939 6.479 -4.025
58 HE3 LYS 7 1HE LYS 7 -9.009 6.029 -5.728
59 HZ1 LYS 7 3HZ LYS 7 -11.413 5.614 -4.117
60 HZ2 LYS 7 1HZ LYS 7 -11.264 6.063 -5.742
61 HZ3 LYS 7 2HZ LYS 7 -11.013 7.207 -4.521
62 H DBB 8 H DBB 8 -4.837 2.015 -1.951
63 HA DBB 8 HA DBB 8 -2.897 1.942 -4.148
64 HB3 DBB 8 HB DBB 8 -2.664 0.179 -2.477
65 HG1 DBB 8 3HG2 DBB 8 -0.344 0.444 -1.888
66 HG2 DBB 8 1HG2 DBB 8 -0.447 2.188 -2.122
67 HG3 DBB 8 2HG2 DBB 8 -0.601 1.104 -3.502
68 H LEU 9 H LEU 9 -3.565 3.676 -1.116
69 HA LEU 9 HA LEU 9 -2.642 6.137 -2.253
70 HB2 LEU 9 2HB LEU 9 -4.495 6.329 -0.837
71 HB3 LEU 9 1HB LEU 9 -3.765 5.332 0.406
72 HG LEU 9 HG LEU 9 -2.411 7.901 -0.221
73 HD11 LEU 9 1HD1 LEU 9 -4.019 8.961 1.492
74 HD12 LEU 9 2HD1 LEU 9 -5.130 7.675 1.018
75 HD13 LEU 9 3HD1 LEU 9 -4.544 8.824 -0.186
76 HD21 LEU 9 3HD2 LEU 9 -1.808 6.080 1.536
77 HD22 LEU 9 1HD2 LEU 9 -3.107 6.814 2.477
78 HD23 LEU 9 2HD2 LEU 9 -1.720 7.785 1.986
79 H DBB 10 H DBB 10 -1.115 3.647 -0.417
80 HA DBB 10 HA DBB 10 1.017 5.493 0.392
81 HB3 DBB 10 HB DBB 10 2.726 4.387 -0.696
82 HG1 DBB 10 3HG2 DBB 10 2.702 2.108 -1.508
83 HG2 DBB 10 1HG2 DBB 10 1.025 1.923 -1.008
84 HG3 DBB 10 2HG2 DBB 10 2.285 2.122 0.206
85 H LYS 11 H LYS 11 1.372 5.312 2.477
86 HA LYS 11 HA LYS 11 2.056 3.002 3.837
87 HB2 LYS 11 2HB LYS 11 1.697 4.282 5.897
88 HB3 LYS 11 1HB LYS 11 2.544 5.234 4.686
89 HG2 LYS 11 2HG LYS 11 1.048 6.833 5.007
90 HG3 LYS 11 1HG LYS 11 -0.156 5.777 4.265
91 HD2 LYS 11 2HD LYS 11 -1.186 6.167 6.265
92 HD3 LYS 11 1HD LYS 11 -0.225 4.754 6.710
93 HE2 LYS 11 2HE LYS 11 0.499 6.041 8.400
94 HE3 LYS 11 1HE LYS 11 1.534 6.778 7.178
95 HZ1 LYS 11 3HZ LYS 11 0.091 8.288 8.639
96 HZ2 LYS 11 1HZ LYS 11 -1.193 7.799 7.651
97 HZ3 LYS 11 2HZ LYS 11 0.138 8.596 6.977
98 H ASP 12 H ASP 12 -1.084 4.087 2.931
99 HA ASP 12 HA ASP 12 -2.424 2.440 4.919
100 HB2 ASP 12 2HB ASP 12 -3.277 4.491 2.935
101 HB3 ASP 12 1HB ASP 12 -4.459 3.280 3.420
102 H CYS 13 H CYS 13 -0.725 1.224 2.796
103 HA CYS 13 HA CYS 13 -2.759 -0.610 1.744
104 HB2 CYS 13 2HB CYS 13 -0.428 0.486 0.160
105 HB3 CYS 13 1HB CYS 13 -1.548 -0.752 -0.396
106 HA PRO 14 HA PRO 14 0.852 -2.689 3.982
107 HB2 PRO 14 2HB PRO 14 -1.418 -4.174 5.169
108 HB3 PRO 14 1HB PRO 14 0.005 -3.482 5.953
109 HG2 PRO 14 2HG PRO 14 -2.399 -2.351 6.220
110 HG3 PRO 14 1HG PRO 14 -0.930 -1.367 6.083
111 HD2 PRO 14 2HD PRO 14 -3.008 -1.972 4.016
112 HD3 PRO 14 1HD PRO 14 -2.148 -0.452 4.341
113 H ASN 15 H ASN 15 -1.967 -3.670 2.233
114 HA ASN 15 HA ASN 15 -0.658 -6.203 1.499
115 HB2 ASN 15 2HB ASN 15 -3.158 -5.881 2.554
116 HB3 ASN 15 1HB ASN 15 -3.505 -5.900 0.828
117 HD21 ASN 15 1HD2 ASN 15 -3.872 -7.815 -0.005
118 HD22 ASN 15 2HD2 ASN 15 -3.291 -9.324 0.603
119 H VAL 16 H VAL 16 -1.952 -3.219 0.342
120 HA VAL 16 HA VAL 16 -2.073 -2.229 -1.684
121 HB VAL 16 HB VAL 16 0.392 -2.797 -1.563
122 HG11 VAL 16 1HG1 VAL 16 0.759 -5.006 -1.943
123 HG12 VAL 16 2HG1 VAL 16 0.943 -4.413 -3.593
124 HG13 VAL 16 3HG1 VAL 16 -0.575 -5.152 -3.087
125 HG21 VAL 16 3HG2 VAL 16 0.667 -2.378 -4.096
126 HG22 VAL 16 1HG2 VAL 16 -0.171 -1.175 -3.116
127 HG23 VAL 16 2HG2 VAL 16 -1.094 -2.302 -4.110
128 H ILE 17 H ILE 17 -3.031 -2.348 -3.714
129 HA ILE 17 HA ILE 17 -4.045 -4.998 -4.491
130 HB ILE 17 HB ILE 17 -5.796 -2.729 -5.159
131 HG12 ILE 17 2HG1 ILE 17 -6.790 -3.005 -2.724
132 HG13 ILE 17 1HG1 ILE 17 -5.121 -3.394 -2.321
133 HG21 ILE 17 1HG2 ILE 17 -7.402 -4.312 -5.126
134 HG22 ILE 17 2HG2 ILE 17 -6.774 -5.073 -3.665
135 HG23 ILE 17 3HG2 ILE 17 -6.022 -5.406 -5.225
136 HD11 ILE 17 3HD1 ILE 17 -5.648 -0.938 -3.902
137 HD12 ILE 17 1HD1 ILE 17 -4.392 -1.270 -2.709
138 HD13 ILE 17 2HD1 ILE 17 -6.042 -0.936 -2.183
139 H SER 18 H SER 18 -5.429 -4.175 -6.770
140 HA SER 18 HA SER 18 -5.146 -3.758 -8.986
141 HB2 SER 18 2HB SER 18 -4.310 -1.485 -7.760
142 HB3 SER 18 1HB SER 18 -2.846 -1.932 -8.633
143 HG SER 18 HG SER 18 -3.776 -1.224 -10.364
144 H SER 19 H SER 19 -3.010 -3.326 -10.601
145 HA SER 19 HA SER 19 -1.773 -5.877 -10.667
146 HB2 SER 19 2HB SER 19 -0.535 -3.700 -12.244
147 HB3 SER 19 1HB SER 19 -1.095 -5.292 -12.760
148 HG SER 19 HG SER 19 -2.360 -2.907 -12.888
149 H ILE 20 H ILE 20 -0.831 -2.776 -9.394
150 HA ILE 20 HA ILE 20 1.485 -3.998 -8.138
151 HB ILE 20 HB ILE 20 2.186 -1.381 -9.265
152 HG12 ILE 20 2HG1 ILE 20 2.031 -3.751 -11.141
153 HG13 ILE 20 1HG1 ILE 20 0.896 -2.405 -11.159
154 HG21 ILE 20 1HG2 ILE 20 3.534 -3.329 -8.040
155 HG22 ILE 20 2HG2 ILE 20 4.292 -2.204 -9.167
156 HG23 ILE 20 3HG2 ILE 20 3.810 -3.811 -9.713
157 HD11 ILE 20 3HD1 ILE 20 2.510 -2.058 -12.876
158 HD12 ILE 20 1HD1 ILE 20 3.842 -2.307 -11.747
159 HD13 ILE 20 2HD1 ILE 20 2.812 -0.883 -11.595
160 H CYS 21 H CYS 21 2.671 -1.647 -7.183
161 HA CYS 21 HA CYS 21 0.553 -0.685 -5.390
162 HB2 CYS 21 2HB CYS 21 3.225 0.016 -4.519
163 HB3 CYS 21 1HB CYS 21 1.989 -0.914 -3.686
164 H ALA 22 H ALA 22 2.089 0.291 -8.105
165 HA ALA 22 HA ALA 22 2.164 3.117 -7.293
166 HB1 ALA 22 1HB ALA 22 3.909 3.474 -8.682
167 HB2 ALA 22 2HB ALA 22 3.313 2.343 -9.897
168 HB3 ALA 22 3HB ALA 22 4.151 1.740 -8.467
169 H GLY 23 H GLY 23 2.012 4.295 -9.787
170 HA2 GLY 23 2HA GLY 23 -0.809 3.798 -10.434
171 HA3 GLY 23 1HA GLY 23 0.075 5.280 -10.768
172 H THR 24 H THR 24 1.488 5.359 -12.565
173 HA THR 24 HA THR 24 1.125 3.169 -14.501
174 HB THR 24 HB THR 24 1.001 4.826 -16.298
175 HG1 THR 24 1HG THR 24 1.783 6.711 -15.866
176 HG21 THR 24 3HG2 THR 24 -1.151 5.843 -15.838
177 HG22 THR 24 1HG2 THR 24 -0.972 5.475 -14.122
178 HG23 THR 24 2HG2 THR 24 -1.120 4.165 -15.294
179 H ILE 25 H ILE 25 3.287 2.994 -12.986
180 HA ILE 25 HA ILE 25 5.462 3.965 -14.721
181 HB ILE 25 HB ILE 25 6.894 3.845 -12.588
182 HG12 ILE 25 2HG1 ILE 25 4.133 4.077 -11.366
183 HG13 ILE 25 1HG1 ILE 25 5.249 2.732 -11.158
184 HG21 ILE 25 1HG2 ILE 25 6.812 5.993 -13.213
185 HG22 ILE 25 2HG2 ILE 25 5.641 6.170 -11.905
186 HG23 ILE 25 3HG2 ILE 25 5.085 5.927 -13.561
187 HD11 ILE 25 3HD1 ILE 25 5.921 3.759 -9.314
188 HD12 ILE 25 1HD1 ILE 25 5.101 5.256 -9.755
189 HD13 ILE 25 2HD1 ILE 25 6.721 4.925 -10.368
190 H ILE 26 H ILE 26 4.458 1.476 -12.400
191 HA ILE 26 HA ILE 26 5.044 -0.712 -12.151
192 HB ILE 26 HB ILE 26 5.717 -0.648 -15.087
193 HG12 ILE 26 2HG1 ILE 26 3.135 -1.545 -14.947
194 HG13 ILE 26 1HG1 ILE 26 3.141 -0.295 -13.706
195 HG21 ILE 26 1HG2 ILE 26 6.207 -2.677 -13.599
196 HG22 ILE 26 2HG2 ILE 26 5.309 -2.945 -15.093
197 HG23 ILE 26 3HG2 ILE 26 4.457 -2.892 -13.550
198 HD11 ILE 26 3HD1 ILE 26 3.672 1.382 -15.242
199 HD12 ILE 26 1HD1 ILE 26 2.471 0.382 -16.060
200 HD13 ILE 26 2HD1 ILE 26 4.179 0.220 -16.468
201 H THR 27 H THR 27 6.856 -0.547 -10.848
202 HA THR 27 HA THR 27 9.310 -1.426 -12.011
203 HB THR 27 HB THR 27 9.192 1.378 -10.885
204 HG1 THR 27 1HG THR 27 9.809 0.339 -13.443
205 HG21 THR 27 3HG2 THR 27 11.574 1.529 -11.329
206 HG22 THR 27 1HG2 THR 27 11.608 -0.175 -11.783
207 HG23 THR 27 2HG2 THR 27 11.232 0.289 -10.123
208 H ALA 28 H ALA 28 8.983 0.619 -9.136
209 HA ALA 28 HA ALA 28 9.455 -1.776 -7.484
210 HB1 ALA 28 1HB ALA 28 10.878 -0.538 -6.052
211 HB2 ALA 28 2HB ALA 28 10.440 0.987 -6.821
212 HB3 ALA 28 3HB ALA 28 11.403 -0.199 -7.701
213 H CYS 29 H CYS 29 7.318 0.717 -8.157
214 HA CYS 29 HA CYS 29 5.616 1.748 -7.038
215 HB2 CYS 29 2HB CYS 29 4.029 0.210 -6.142
216 HB3 CYS 29 1HB CYS 29 4.803 -0.561 -7.513
217 H LYS 30 H LYS 30 7.675 2.631 -5.757
218 HA LYS 30 HA LYS 30 7.437 2.008 -2.914
219 HB2 LYS 30 2HB LYS 30 9.517 3.160 -4.641
220 HB3 LYS 30 1HB LYS 30 9.360 3.946 -3.076
221 HG2 LYS 30 2HG LYS 30 9.421 1.512 -2.155
222 HG3 LYS 30 1HG LYS 30 10.153 1.145 -3.717
223 HD2 LYS 30 2HD LYS 30 12.066 1.660 -2.632
224 HD3 LYS 30 1HD LYS 30 11.591 3.315 -3.020
225 HE2 LYS 30 2HE LYS 30 10.434 2.219 -0.546
226 HE3 LYS 30 1HE LYS 30 12.184 2.436 -0.524
227 HZ1 LYS 30 3HZ LYS 30 11.411 4.754 -1.574
228 HZ2 LYS 30 1HZ LYS 30 11.615 4.508 0.089
229 HZ3 LYS 30 2HZ LYS 30 10.071 4.425 -0.597
230 H ASN 31 H ASN 31 6.686 4.502 -5.213
231 HA ASN 31 HA ASN 31 5.813 6.265 -3.027
232 HB2 ASN 31 2HB ASN 31 6.130 7.066 -5.916
233 HB3 ASN 31 1HB ASN 31 6.014 8.114 -4.507
234 HD21 ASN 31 1HD2 ASN 31 7.800 8.355 -3.158
235 HD22 ASN 31 2HD2 ASN 31 9.394 7.918 -3.664
236 H CYS 32 H CYS 32 3.734 7.021 -2.932
237 HA CYS 32 HA CYS 32 1.827 5.778 -4.802
238 HB2 CYS 32 2HB CYS 32 1.662 6.303 -1.850
239 HB3 CYS 32 1HB CYS 32 0.195 6.167 -2.812
240 H ALA 33 H ALA 33 2.708 8.691 -3.052
241 HA ALA 33 HA ALA 33 0.646 10.185 -4.525
242 HB1 ALA 33 1HB ALA 33 0.335 10.590 -2.242
243 HB2 ALA 33 2HB ALA 33 1.219 12.002 -2.818
244 HB3 ALA 33 3HB ALA 33 2.066 10.730 -1.939
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 -1.088 -0.085 -15.032
2 H2 ALA 1 2HT ALA 1 -1.244 1.572 -15.452
3 H3 ALA 1 3HT ALA 1 -0.631 0.448 -16.595
4 HA ALA 1 HA ALA 1 -2.851 0.995 -17.124
5 HB1 ALA 1 2HB ALA 1 -2.597 -1.774 -15.958
6 HB2 ALA 1 3HB ALA 1 -2.079 -1.274 -17.567
7 HB3 ALA 1 1HB ALA 1 -3.792 -1.261 -17.149
8 H ASP 2 H ASP 2 -5.165 -0.031 -16.379
9 HA ASP 2 HA ASP 2 -6.952 0.218 -14.997
10 HB2 ASP 2 2HB ASP 2 -4.782 -0.635 -13.278
11 HB3 ASP 2 1HB ASP 2 -5.898 0.412 -12.407
12 H ARG 3 H ARG 3 -8.166 1.876 -14.169
13 HA ARG 3 HA ARG 3 -7.124 4.505 -14.442
14 HB2 ARG 3 2HB ARG 3 -9.741 3.322 -13.626
15 HB3 ARG 3 1HB ARG 3 -9.438 5.014 -13.256
16 HG2 ARG 3 2HG ARG 3 -8.708 4.462 -15.974
17 HG3 ARG 3 1HG ARG 3 -10.359 3.921 -15.663
18 HD2 ARG 3 2HD ARG 3 -10.458 6.192 -16.398
19 HD3 ARG 3 1HD ARG 3 -10.827 6.164 -14.674
20 HE ARG 3 HE ARG 3 -8.054 6.635 -15.198
21 HH11 ARG 3 1HH1 ARG 3 -11.190 8.157 -15.014
22 HH12 ARG 3 2HH1 ARG 3 -10.547 9.725 -14.660
23 HH21 ARG 3 1HH2 ARG 3 -7.207 8.697 -14.731
24 HH22 ARG 3 2HH2 ARG 3 -8.286 10.032 -14.499
25 H GLY 4 H GLY 4 -7.352 6.187 -12.717
26 HA2 GLY 4 2HA GLY 4 -5.821 5.419 -10.440
27 HA3 GLY 4 1HA GLY 4 -6.515 7.006 -10.735
28 H TRP 5 H TRP 5 -6.412 4.890 -8.432
29 HA TRP 5 HA TRP 5 -9.079 5.530 -7.465
30 HB2 TRP 5 2HB TRP 5 -8.805 3.125 -8.662
31 HB3 TRP 5 1HB TRP 5 -8.306 2.702 -7.027
32 HD1 TRP 5 HD TRP 5 -10.171 2.513 -5.200
33 HE1 TRP 5 1HE TRP 5 -12.741 2.654 -5.259
34 HE3 TRP 5 3HE TRP 5 -10.775 4.394 -9.916
35 HZ2 TRP 5 2HZ TRP 5 -14.756 3.456 -7.065
36 HZ3 TRP 5 3HZ TRP 5 -13.056 4.819 -10.733
37 HH2 TRP 5 HH TRP 5 -15.005 4.359 -9.335
38 H ILE 6 H ILE 6 -9.310 4.677 -5.131
39 HA ILE 6 HA ILE 6 -7.232 5.795 -3.592
40 HB ILE 6 HB ILE 6 -8.449 4.750 -1.638
41 HG12 ILE 6 2HG1 ILE 6 -10.529 4.033 -3.702
42 HG13 ILE 6 1HG1 ILE 6 -9.364 2.861 -3.093
43 HG21 ILE 6 1HG2 ILE 6 -10.651 6.106 -2.360
44 HG22 ILE 6 2HG2 ILE 6 -9.519 6.700 -3.574
45 HG23 ILE 6 3HG2 ILE 6 -9.150 6.885 -1.859
46 HD11 ILE 6 3HD1 ILE 6 -11.618 2.839 -1.998
47 HD12 ILE 6 1HD1 ILE 6 -11.215 4.410 -1.307
48 HD13 ILE 6 2HD1 ILE 6 -10.243 2.993 -0.905
49 H LYS 7 H LYS 7 -7.594 2.685 -4.937
50 HA LYS 7 HA LYS 7 -6.257 1.107 -3.036
51 HB2 LYS 7 2HB LYS 7 -7.476 0.637 -5.445
52 HB3 LYS 7 1HB LYS 7 -5.782 0.380 -5.843
53 HG2 LYS 7 2HG LYS 7 -6.877 -0.913 -3.401
54 HG3 LYS 7 1HG LYS 7 -7.299 -1.580 -4.979
55 HD2 LYS 7 2HD LYS 7 -4.632 -1.248 -5.275
56 HD3 LYS 7 1HD LYS 7 -4.725 -1.578 -3.544
57 HE2 LYS 7 2HE LYS 7 -4.663 -3.732 -4.200
58 HE3 LYS 7 1HE LYS 7 -6.381 -3.487 -4.510
59 HZ1 LYS 7 3HZ LYS 7 -5.781 -4.274 -6.523
60 HZ2 LYS 7 1HZ LYS 7 -4.175 -3.759 -6.391
61 HZ3 LYS 7 2HZ LYS 7 -5.386 -2.654 -6.809
62 H DBB 8 H DBB 8 -4.307 1.551 -2.258
63 HA DBB 8 HA DBB 8 -2.087 1.868 -4.111
64 HB3 DBB 8 HB DBB 8 -1.834 0.235 -2.326
65 HG1 DBB 8 3HG2 DBB 8 0.215 0.930 -1.275
66 HG2 DBB 8 1HG2 DBB 8 -0.130 2.623 -1.624
67 HG3 DBB 8 2HG2 DBB 8 0.215 1.506 -2.942
68 H LEU 9 H LEU 9 -3.615 3.606 -1.432
69 HA LEU 9 HA LEU 9 -2.835 6.117 -2.550
70 HB2 LEU 9 2HB LEU 9 -4.207 7.127 -0.959
71 HB3 LEU 9 1HB LEU 9 -5.000 5.613 -1.338
72 HG LEU 9 HG LEU 9 -5.220 5.824 0.977
73 HD11 LEU 9 1HD1 LEU 9 -3.710 4.094 1.948
74 HD12 LEU 9 2HD1 LEU 9 -2.831 4.083 0.420
75 HD13 LEU 9 3HD1 LEU 9 -4.527 3.605 0.464
76 HD21 LEU 9 3HD2 LEU 9 -2.343 6.243 1.559
77 HD22 LEU 9 1HD2 LEU 9 -3.771 6.823 2.416
78 HD23 LEU 9 2HD2 LEU 9 -3.257 7.611 0.924
79 H DBB 10 H DBB 10 -1.121 3.988 -0.638
80 HA DBB 10 HA DBB 10 0.199 6.019 0.956
81 HB3 DBB 10 HB DBB 10 1.357 4.942 -1.557
82 HG1 DBB 10 3HG2 DBB 10 2.588 6.983 -1.570
83 HG2 DBB 10 1HG2 DBB 10 2.196 7.289 0.120
84 HG3 DBB 10 2HG2 DBB 10 0.934 7.383 -1.107
85 H LYS 11 H LYS 11 1.374 5.242 2.657
86 HA LYS 11 HA LYS 11 2.139 2.527 2.943
87 HB2 LYS 11 2HB LYS 11 1.957 4.810 4.902
88 HB3 LYS 11 1HB LYS 11 2.529 3.211 5.357
89 HG2 LYS 11 2HG LYS 11 4.446 3.388 4.056
90 HG3 LYS 11 1HG LYS 11 3.775 4.694 3.077
91 HD2 LYS 11 2HD LYS 11 5.029 6.016 4.397
92 HD3 LYS 11 1HD LYS 11 3.713 5.806 5.553
93 HE2 LYS 11 2HE LYS 11 4.943 4.493 6.911
94 HE3 LYS 11 1HE LYS 11 5.747 3.682 5.567
95 HZ1 LYS 11 3HZ LYS 11 6.822 6.102 5.386
96 HZ2 LYS 11 1HZ LYS 11 7.498 4.857 6.312
97 HZ3 LYS 11 2HZ LYS 11 6.550 6.044 7.055
98 H ASP 12 H ASP 12 -0.876 3.963 3.167
99 HA ASP 12 HA ASP 12 -1.892 2.261 5.284
100 HB2 ASP 12 2HB ASP 12 -2.908 4.556 3.711
101 HB3 ASP 12 1HB ASP 12 -4.113 3.385 4.236
102 H CYS 13 H CYS 13 -0.808 1.082 2.784
103 HA CYS 13 HA CYS 13 -3.234 -0.261 1.799
104 HB2 CYS 13 2HB CYS 13 -0.554 0.128 0.452
105 HB3 CYS 13 1HB CYS 13 -1.880 -0.818 -0.215
106 HA PRO 14 HA PRO 14 -0.985 -3.640 3.870
107 HB2 PRO 14 2HB PRO 14 -3.121 -4.564 5.288
108 HB3 PRO 14 1HB PRO 14 -2.066 -3.267 5.848
109 HG2 PRO 14 2HG PRO 14 -4.835 -3.132 4.977
110 HG3 PRO 14 1HG PRO 14 -3.859 -1.894 5.780
111 HD2 PRO 14 2HD PRO 14 -4.517 -2.176 2.954
112 HD3 PRO 14 1HD PRO 14 -3.791 -0.798 3.802
113 H ASN 15 H ASN 15 -3.499 -3.489 1.629
114 HA ASN 15 HA ASN 15 -3.922 -6.364 1.495
115 HB2 ASN 15 2HB ASN 15 -5.685 -4.447 1.108
116 HB3 ASN 15 1HB ASN 15 -5.025 -4.448 -0.525
117 HD21 ASN 15 1HD2 ASN 15 -6.456 -5.436 -1.757
118 HD22 ASN 15 2HD2 ASN 15 -7.189 -6.966 -1.430
119 H VAL 16 H VAL 16 -1.329 -5.967 1.062
120 HA VAL 16 HA VAL 16 -0.993 -6.860 -1.655
121 HB VAL 16 HB VAL 16 -0.890 -4.446 -2.004
122 HG11 VAL 16 1HG1 VAL 16 0.073 -4.195 0.459
123 HG12 VAL 16 2HG1 VAL 16 0.348 -2.979 -0.788
124 HG13 VAL 16 3HG1 VAL 16 1.601 -4.166 -0.422
125 HG21 VAL 16 3HG2 VAL 16 0.494 -5.772 -3.439
126 HG22 VAL 16 1HG2 VAL 16 1.763 -5.861 -2.218
127 HG23 VAL 16 2HG2 VAL 16 1.395 -4.322 -2.998
128 H ILE 17 H ILE 17 -0.406 -8.700 -0.287
129 HA ILE 17 HA ILE 17 2.446 -8.681 0.268
130 HB ILE 17 HB ILE 17 1.621 -8.182 2.445
131 HG12 ILE 17 2HG1 ILE 17 2.125 -11.158 2.281
132 HG13 ILE 17 1HG1 ILE 17 3.372 -9.915 2.328
133 HG21 ILE 17 1HG2 ILE 17 -0.324 -8.877 3.323
134 HG22 ILE 17 2HG2 ILE 17 -0.089 -10.540 2.784
135 HG23 ILE 17 3HG2 ILE 17 -0.713 -9.328 1.664
136 HD11 ILE 17 3HD1 ILE 17 2.295 -9.224 4.556
137 HD12 ILE 17 1HD1 ILE 17 3.275 -10.689 4.511
138 HD13 ILE 17 2HD1 ILE 17 1.515 -10.803 4.497
139 H SER 18 H SER 18 3.421 -10.622 -0.032
140 HA SER 18 HA SER 18 2.372 -13.158 0.004
141 HB2 SER 18 2HB SER 18 0.795 -12.732 -1.700
142 HB3 SER 18 1HB SER 18 1.944 -11.787 -2.647
143 HG SER 18 HG SER 18 1.394 -14.317 -2.933
144 H SER 19 H SER 19 4.021 -11.769 -2.811
145 HA SER 19 HA SER 19 6.519 -13.024 -1.899
146 HB2 SER 19 2HB SER 19 5.128 -13.247 -4.537
147 HB3 SER 19 1HB SER 19 6.889 -13.294 -4.493
148 HG SER 19 HG SER 19 5.552 -15.347 -4.246
149 H ILE 20 H ILE 20 5.441 -10.976 -4.579
150 HA ILE 20 HA ILE 20 7.093 -8.783 -3.661
151 HB ILE 20 HB ILE 20 7.625 -10.161 -6.296
152 HG12 ILE 20 2HG1 ILE 20 9.429 -9.546 -3.945
153 HG13 ILE 20 1HG1 ILE 20 8.759 -11.126 -4.332
154 HG21 ILE 20 1HG2 ILE 20 7.625 -7.814 -6.737
155 HG22 ILE 20 2HG2 ILE 20 9.305 -8.344 -6.645
156 HG23 ILE 20 3HG2 ILE 20 8.575 -7.486 -5.288
157 HD11 ILE 20 3HD1 ILE 20 11.075 -10.945 -5.042
158 HD12 ILE 20 1HD1 ILE 20 10.664 -9.558 -6.051
159 HD13 ILE 20 2HD1 ILE 20 10.001 -11.148 -6.426
160 H CYS 21 H CYS 21 6.633 -6.812 -4.712
161 HA CYS 21 HA CYS 21 4.015 -6.801 -6.039
162 HB2 CYS 21 2HB CYS 21 5.021 -4.191 -5.192
163 HB3 CYS 21 1HB CYS 21 3.477 -4.962 -4.866
164 H ALA 22 H ALA 22 5.222 -7.452 -7.994
165 HA ALA 22 HA ALA 22 7.144 -6.176 -9.379
166 HB1 ALA 22 1HB ALA 22 5.233 -8.046 -9.986
167 HB2 ALA 22 2HB ALA 22 6.483 -7.457 -11.081
168 HB3 ALA 22 3HB ALA 22 4.873 -6.739 -11.112
169 H GLY 23 H GLY 23 7.518 -4.129 -9.845
170 HA2 GLY 23 2HA GLY 23 6.179 -2.454 -11.463
171 HA3 GLY 23 1HA GLY 23 5.356 -2.197 -9.932
172 H THR 24 H THR 24 8.449 -1.956 -11.598
173 HA THR 24 HA THR 24 10.268 -0.630 -11.262
174 HB THR 24 HB THR 24 8.385 1.081 -9.627
175 HG1 THR 24 1HG THR 24 8.035 2.153 -11.632
176 HG21 THR 24 3HG2 THR 24 10.844 1.827 -11.191
177 HG22 THR 24 1HG2 THR 24 10.706 1.779 -9.434
178 HG23 THR 24 2HG2 THR 24 9.761 2.944 -10.362
179 H ILE 25 H ILE 25 11.143 -2.394 -9.973
180 HA ILE 25 HA ILE 25 10.921 -2.359 -7.125
181 HB ILE 25 HB ILE 25 13.062 -3.729 -8.749
182 HG12 ILE 25 2HG1 ILE 25 11.127 -5.617 -8.080
183 HG13 ILE 25 1HG1 ILE 25 10.194 -4.224 -8.615
184 HG21 ILE 25 1HG2 ILE 25 12.187 -3.793 -5.936
185 HG22 ILE 25 2HG2 ILE 25 13.773 -4.100 -6.641
186 HG23 ILE 25 3HG2 ILE 25 12.536 -5.357 -6.673
187 HD11 ILE 25 3HD1 ILE 25 11.583 -4.198 -10.687
188 HD12 ILE 25 1HD1 ILE 25 10.566 -5.626 -10.492
189 HD13 ILE 25 2HD1 ILE 25 12.295 -5.721 -10.154
190 H ILE 26 H ILE 26 11.505 -0.206 -6.573
191 HA ILE 26 HA ILE 26 14.156 0.760 -7.176
192 HB ILE 26 HB ILE 26 12.257 2.323 -6.976
193 HG12 ILE 26 2HG1 ILE 26 13.905 3.200 -4.700
194 HG13 ILE 26 1HG1 ILE 26 14.827 2.682 -6.107
195 HG21 ILE 26 1HG2 ILE 26 11.040 2.672 -5.057
196 HG22 ILE 26 2HG2 ILE 26 12.304 2.029 -4.008
197 HG23 ILE 26 3HG2 ILE 26 11.318 0.933 -4.975
198 HD11 ILE 26 3HD1 ILE 26 14.385 4.571 -7.168
199 HD12 ILE 26 1HD1 ILE 26 13.671 5.169 -5.670
200 HD13 ILE 26 2HD1 ILE 26 12.653 4.397 -6.886
201 H THR 27 H THR 27 12.456 -0.606 -4.415
202 HA THR 27 HA THR 27 15.047 -1.028 -3.096
203 HB THR 27 HB THR 27 13.350 -0.741 -0.966
204 HG1 THR 27 1HG THR 27 11.693 0.341 -1.631
205 HG21 THR 27 3HG2 THR 27 15.564 0.258 -1.109
206 HG22 THR 27 1HG2 THR 27 14.361 1.426 -0.565
207 HG23 THR 27 2HG2 THR 27 14.946 1.473 -2.228
208 H ALA 28 H ALA 28 11.584 -1.801 -2.753
209 HA ALA 28 HA ALA 28 12.337 -4.628 -2.409
210 HB1 ALA 28 1HB ALA 28 10.904 -4.894 -0.669
211 HB2 ALA 28 2HB ALA 28 9.772 -3.685 -1.273
212 HB3 ALA 28 3HB ALA 28 11.248 -3.178 -0.451
213 H CYS 29 H CYS 29 9.595 -2.542 -3.275
214 HA CYS 29 HA CYS 29 9.196 -3.846 -5.769
215 HB2 CYS 29 2HB CYS 29 6.937 -4.731 -5.267
216 HB3 CYS 29 1HB CYS 29 8.193 -5.555 -4.360
217 H LYS 30 H LYS 30 6.412 -3.168 -5.990
218 HA LYS 30 HA LYS 30 6.693 -0.309 -6.340
219 HB2 LYS 30 2HB LYS 30 5.633 -2.043 -7.981
220 HB3 LYS 30 1HB LYS 30 4.198 -1.834 -6.989
221 HG2 LYS 30 2HG LYS 30 5.217 0.740 -7.621
222 HG3 LYS 30 1HG LYS 30 5.134 -0.207 -9.107
223 HD2 LYS 30 2HD LYS 30 2.840 -0.058 -7.169
224 HD3 LYS 30 1HD LYS 30 3.058 1.123 -8.462
225 HE2 LYS 30 2HE LYS 30 2.504 -0.358 -10.091
226 HE3 LYS 30 1HE LYS 30 3.204 -1.729 -9.231
227 HZ1 LYS 30 3HZ LYS 30 1.051 -2.246 -8.926
228 HZ2 LYS 30 1HZ LYS 30 0.507 -0.657 -9.130
229 HZ3 LYS 30 2HZ LYS 30 1.152 -1.147 -7.645
230 H ASN 31 H ASN 31 6.082 -1.864 -3.664
231 HA ASN 31 HA ASN 31 3.559 -0.821 -2.832
232 HB2 ASN 31 2HB ASN 31 4.528 -2.848 -1.823
233 HB3 ASN 31 1HB ASN 31 5.855 -1.890 -1.172
234 HD21 ASN 31 1HD2 ASN 31 5.623 -1.022 0.770
235 HD22 ASN 31 2HD2 ASN 31 4.145 -0.931 1.660
236 H CYS 32 H CYS 32 3.307 0.680 -0.998
237 HA CYS 32 HA CYS 32 4.822 3.074 -1.469
238 HB2 CYS 32 2HB CYS 32 2.315 2.902 -0.913
239 HB3 CYS 32 1HB CYS 32 2.830 2.690 0.756
240 H ALA 33 H ALA 33 4.186 1.154 1.470
241 HA ALA 33 HA ALA 33 6.220 2.445 2.980
242 HB1 ALA 33 1HB ALA 33 4.083 0.954 3.648
243 HB2 ALA 33 2HB ALA 33 5.441 1.257 4.734
244 HB3 ALA 33 3HB ALA 33 5.362 -0.248 3.819
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 -10.153 -9.386 -9.348
2 H2 ALA 1 2HT ALA 1 -8.891 -9.255 -10.503
3 H3 ALA 1 3HT ALA 1 -10.140 -8.079 -10.456
4 HA ALA 1 HA ALA 1 -8.334 -7.090 -9.469
5 HB1 ALA 1 2HB ALA 1 -9.916 -8.174 -7.153
6 HB2 ALA 1 3HB ALA 1 -10.559 -6.976 -8.275
7 HB3 ALA 1 1HB ALA 1 -9.137 -6.599 -7.303
8 H ASP 2 H ASP 2 -6.428 -7.159 -8.324
9 HA ASP 2 HA ASP 2 -5.575 -9.835 -7.433
10 HB2 ASP 2 2HB ASP 2 -4.206 -7.710 -8.998
11 HB3 ASP 2 1HB ASP 2 -3.223 -8.621 -7.855
12 H ARG 3 H ARG 3 -6.851 -8.671 -5.504
13 HA ARG 3 HA ARG 3 -6.734 -7.935 -3.356
14 HB2 ARG 3 2HB ARG 3 -3.936 -8.822 -3.903
15 HB3 ARG 3 1HB ARG 3 -4.258 -7.933 -2.421
16 HG2 ARG 3 2HG ARG 3 -5.761 -10.410 -3.227
17 HG3 ARG 3 1HG ARG 3 -4.317 -10.424 -2.211
18 HD2 ARG 3 2HD ARG 3 -5.420 -9.069 -0.549
19 HD3 ARG 3 1HD ARG 3 -6.833 -8.885 -1.587
20 HE ARG 3 HE ARG 3 -6.195 -11.619 -0.968
21 HH11 ARG 3 1HH1 ARG 3 -7.901 -8.766 0.095
22 HH12 ARG 3 2HH1 ARG 3 -9.032 -9.651 1.062
23 HH21 ARG 3 1HH2 ARG 3 -7.681 -12.784 0.305
24 HH22 ARG 3 2HH2 ARG 3 -8.906 -11.931 1.185
25 H GLY 4 H GLY 4 -7.344 -5.845 -3.343
26 HA2 GLY 4 2HA GLY 4 -6.386 -3.687 -2.528
27 HA3 GLY 4 1HA GLY 4 -5.250 -3.824 -3.862
28 H TRP 5 H TRP 5 -7.694 -2.036 -2.961
29 HA TRP 5 HA TRP 5 -8.732 -1.750 -5.699
30 HB2 TRP 5 2HB TRP 5 -10.400 -2.830 -4.155
31 HB3 TRP 5 1HB TRP 5 -10.384 -1.351 -3.200
32 HD1 TRP 5 HD TRP 5 -10.534 0.812 -5.491
33 HE1 TRP 5 1HE TRP 5 -12.679 1.058 -6.891
34 HE3 TRP 5 3HE TRP 5 -12.573 -3.812 -4.685
35 HZ2 TRP 5 2HZ TRP 5 -14.937 -0.497 -7.563
36 HZ3 TRP 5 3HZ TRP 5 -14.728 -4.350 -5.743
37 HH2 TRP 5 HH TRP 5 -15.884 -2.725 -7.152
38 H ILE 6 H ILE 6 -8.359 -0.172 -2.538
39 HA ILE 6 HA ILE 6 -8.945 2.416 -3.105
40 HB ILE 6 HB ILE 6 -8.247 1.622 -0.892
41 HG12 ILE 6 2HG1 ILE 6 -6.350 3.846 -1.425
42 HG13 ILE 6 1HG1 ILE 6 -8.033 4.112 -1.872
43 HG21 ILE 6 1HG2 ILE 6 -5.758 1.098 -2.313
44 HG22 ILE 6 2HG2 ILE 6 -6.376 0.407 -0.813
45 HG23 ILE 6 3HG2 ILE 6 -5.524 1.950 -0.786
46 HD11 ILE 6 3HD1 ILE 6 -6.932 4.537 0.600
47 HD12 ILE 6 1HD1 ILE 6 -7.735 2.978 0.787
48 HD13 ILE 6 2HD1 ILE 6 -8.653 4.384 0.245
49 H LYS 7 H LYS 7 -6.348 0.632 -4.447
50 HA LYS 7 HA LYS 7 -5.027 1.145 -6.227
51 HB2 LYS 7 2HB LYS 7 -6.790 3.282 -6.290
52 HB3 LYS 7 1HB LYS 7 -5.213 4.054 -6.202
53 HG2 LYS 7 2HG LYS 7 -5.263 1.872 -8.111
54 HG3 LYS 7 1HG LYS 7 -6.466 3.113 -8.472
55 HD2 LYS 7 2HD LYS 7 -3.834 4.166 -7.723
56 HD3 LYS 7 1HD LYS 7 -3.837 3.211 -9.207
57 HE2 LYS 7 2HE LYS 7 -4.394 5.197 -10.136
58 HE3 LYS 7 1HE LYS 7 -6.016 4.712 -9.640
59 HZ1 LYS 7 3HZ LYS 7 -5.139 5.922 -7.429
60 HZ2 LYS 7 1HZ LYS 7 -6.004 6.711 -8.650
61 HZ3 LYS 7 2HZ LYS 7 -4.317 6.818 -8.603
62 H DBB 8 H DBB 8 -4.176 0.982 -3.517
63 HA DBB 8 HA DBB 8 -1.528 1.775 -3.727
64 HB3 DBB 8 HB DBB 8 -3.086 1.291 -1.176
65 HG1 DBB 8 3HG2 DBB 8 -2.558 -0.979 -1.323
66 HG2 DBB 8 1HG2 DBB 8 -1.347 -0.715 -2.579
67 HG3 DBB 8 2HG2 DBB 8 -3.061 -0.570 -2.962
68 H LEU 9 H LEU 9 -3.703 3.157 -1.258
69 HA LEU 9 HA LEU 9 -3.422 5.830 -2.000
70 HB2 LEU 9 2HB LEU 9 -4.270 6.398 0.167
71 HB3 LEU 9 1HB LEU 9 -5.110 4.972 -0.410
72 HG LEU 9 HG LEU 9 -2.742 4.542 1.335
73 HD11 LEU 9 1HD1 LEU 9 -3.589 6.101 2.769
74 HD12 LEU 9 2HD1 LEU 9 -4.554 4.706 3.253
75 HD13 LEU 9 3HD1 LEU 9 -5.238 5.919 2.172
76 HD21 LEU 9 3HD2 LEU 9 -3.753 2.559 0.644
77 HD22 LEU 9 1HD2 LEU 9 -5.381 3.218 0.809
78 HD23 LEU 9 2HD2 LEU 9 -4.439 2.827 2.247
79 H DBB 10 H DBB 10 -1.306 3.759 -0.170
80 HA DBB 10 HA DBB 10 0.316 5.943 0.802
81 HB3 DBB 10 HB DBB 10 0.996 5.748 -1.565
82 HG1 DBB 10 3HG2 DBB 10 3.446 5.358 -1.196
83 HG2 DBB 10 1HG2 DBB 10 3.058 4.917 0.467
84 HG3 DBB 10 2HG2 DBB 10 2.706 6.542 -0.119
85 H LYS 11 H LYS 11 1.325 5.382 2.622
86 HA LYS 11 HA LYS 11 2.413 2.826 3.143
87 HB2 LYS 11 2HB LYS 11 1.758 5.150 4.953
88 HB3 LYS 11 1HB LYS 11 2.547 3.685 5.523
89 HG2 LYS 11 2HG LYS 11 4.143 4.293 3.447
90 HG3 LYS 11 1HG LYS 11 3.610 5.909 3.914
91 HD2 LYS 11 2HD LYS 11 4.335 5.479 6.214
92 HD3 LYS 11 1HD LYS 11 4.871 3.865 5.743
93 HE2 LYS 11 2HE LYS 11 6.704 4.644 4.638
94 HE3 LYS 11 1HE LYS 11 5.925 6.162 4.191
95 HZ1 LYS 11 3HZ LYS 11 6.069 6.453 6.824
96 HZ2 LYS 11 1HZ LYS 11 7.291 6.964 5.772
97 HZ3 LYS 11 2HZ LYS 11 7.435 5.486 6.580
98 H ASP 12 H ASP 12 -0.782 4.037 3.373
99 HA ASP 12 HA ASP 12 -1.601 2.008 5.300
100 HB2 ASP 12 2HB ASP 12 -2.796 4.485 4.196
101 HB3 ASP 12 1HB ASP 12 -3.920 3.192 4.605
102 H CYS 13 H CYS 13 -0.743 1.572 2.360
103 HA CYS 13 HA CYS 13 -2.902 0.744 0.818
104 HB2 CYS 13 2HB CYS 13 -0.031 -0.084 0.963
105 HB3 CYS 13 1HB CYS 13 -1.133 -0.971 -0.079
106 HA PRO 14 HA PRO 14 -4.274 -2.568 3.565
107 HB2 PRO 14 2HB PRO 14 -6.299 -2.940 1.447
108 HB3 PRO 14 1HB PRO 14 -6.523 -2.648 3.175
109 HG2 PRO 14 2HG PRO 14 -7.040 -0.748 1.357
110 HG3 PRO 14 1HG PRO 14 -6.353 -0.355 2.945
111 HD2 PRO 14 2HD PRO 14 -4.992 -0.546 0.284
112 HD3 PRO 14 1HD PRO 14 -4.749 0.630 1.594
113 H ASN 15 H ASN 15 -3.301 -2.676 0.279
114 HA ASN 15 HA ASN 15 -2.095 -5.182 0.476
115 HB2 ASN 15 2HB ASN 15 -4.900 -5.202 -0.458
116 HB3 ASN 15 1HB ASN 15 -3.757 -6.097 -1.458
117 HD21 ASN 15 1HD2 ASN 15 -2.043 -7.170 0.278
118 HD22 ASN 15 2HD2 ASN 15 -2.850 -8.238 1.371
119 H VAL 16 H VAL 16 -0.680 -5.459 -1.159
120 HA VAL 16 HA VAL 16 -1.017 -3.904 -3.616
121 HB VAL 16 HB VAL 16 0.323 -2.490 -2.155
122 HG11 VAL 16 1HG1 VAL 16 2.104 -3.171 -0.926
123 HG12 VAL 16 2HG1 VAL 16 2.585 -4.401 -2.096
124 HG13 VAL 16 3HG1 VAL 16 1.234 -4.705 -1.002
125 HG21 VAL 16 3HG2 VAL 16 1.235 -3.552 -4.684
126 HG22 VAL 16 1HG2 VAL 16 2.588 -2.992 -3.699
127 HG23 VAL 16 2HG2 VAL 16 1.262 -1.893 -4.084
128 H ILE 17 H ILE 17 -1.499 -6.460 -3.764
129 HA ILE 17 HA ILE 17 -0.951 -8.389 -4.839
130 HB ILE 17 HB ILE 17 1.554 -6.970 -5.736
131 HG12 ILE 17 2HG1 ILE 17 -0.522 -6.992 -7.721
132 HG13 ILE 17 1HG1 ILE 17 -1.141 -6.254 -6.247
133 HG21 ILE 17 1HG2 ILE 17 1.342 -9.461 -6.061
134 HG22 ILE 17 2HG2 ILE 17 1.607 -8.518 -7.527
135 HG23 ILE 17 3HG2 ILE 17 -0.005 -9.120 -7.146
136 HD11 ILE 17 3HD1 ILE 17 1.380 -5.430 -7.670
137 HD12 ILE 17 1HD1 ILE 17 0.671 -4.655 -6.253
138 HD13 ILE 17 2HD1 ILE 17 -0.180 -4.617 -7.796
139 H SER 18 H SER 18 0.129 -10.292 -4.421
140 HA SER 18 HA SER 18 1.841 -10.264 -2.082
141 HB2 SER 18 2HB SER 18 -0.113 -11.975 -2.887
142 HB3 SER 18 1HB SER 18 1.322 -12.838 -3.439
143 HG SER 18 HG SER 18 2.122 -12.411 -1.211
144 H SER 19 H SER 19 2.034 -11.217 -5.481
145 HA SER 19 HA SER 19 4.745 -12.125 -5.285
146 HB2 SER 19 2HB SER 19 4.342 -11.687 -7.956
147 HB3 SER 19 1HB SER 19 3.928 -13.176 -7.108
148 HG SER 19 HG SER 19 1.833 -12.524 -6.977
149 H ILE 20 H ILE 20 5.340 -10.065 -4.174
150 HA ILE 20 HA ILE 20 6.625 -8.195 -4.145
151 HB ILE 20 HB ILE 20 6.804 -8.385 -7.136
152 HG12 ILE 20 2HG1 ILE 20 8.740 -9.692 -5.245
153 HG13 ILE 20 1HG1 ILE 20 7.343 -10.554 -5.880
154 HG21 ILE 20 1HG2 ILE 20 8.656 -7.260 -5.042
155 HG22 ILE 20 2HG2 ILE 20 7.690 -6.340 -6.194
156 HG23 ILE 20 3HG2 ILE 20 9.015 -7.351 -6.766
157 HD11 ILE 20 3HD1 ILE 20 9.844 -10.301 -7.061
158 HD12 ILE 20 1HD1 ILE 20 8.784 -9.246 -7.997
159 HD13 ILE 20 2HD1 ILE 20 8.379 -10.951 -7.796
160 H CYS 21 H CYS 21 6.554 -5.936 -4.658
161 HA CYS 21 HA CYS 21 3.867 -5.048 -5.183
162 HB2 CYS 21 2HB CYS 21 6.174 -3.178 -4.771
163 HB3 CYS 21 1HB CYS 21 4.490 -2.981 -4.301
164 H ALA 22 H ALA 22 6.193 -5.918 -7.248
165 HA ALA 22 HA ALA 22 5.092 -4.839 -9.521
166 HB1 ALA 22 1HB ALA 22 5.677 -2.681 -9.444
167 HB2 ALA 22 2HB ALA 22 7.304 -3.240 -9.835
168 HB3 ALA 22 3HB ALA 22 6.850 -2.956 -8.155
169 H GLY 23 H GLY 23 7.077 -4.576 -11.301
170 HA2 GLY 23 2HA GLY 23 8.461 -7.164 -11.075
171 HA3 GLY 23 1HA GLY 23 8.060 -6.354 -12.581
172 H THR 24 H THR 24 10.486 -6.992 -10.365
173 HA THR 24 HA THR 24 12.297 -5.205 -11.774
174 HB THR 24 HB THR 24 13.304 -4.448 -9.588
175 HG1 THR 24 1HG THR 24 12.517 -5.269 -7.848
176 HG21 THR 24 3HG2 THR 24 11.891 -2.918 -10.836
177 HG22 THR 24 1HG2 THR 24 11.660 -2.726 -9.099
178 HG23 THR 24 2HG2 THR 24 10.459 -3.591 -10.057
179 H ILE 25 H ILE 25 14.620 -5.594 -10.918
180 HA ILE 25 HA ILE 25 15.192 -8.347 -11.255
181 HB ILE 25 HB ILE 25 17.079 -6.232 -10.218
182 HG12 ILE 25 2HG1 ILE 25 16.064 -5.428 -12.274
183 HG13 ILE 25 1HG1 ILE 25 17.724 -5.921 -12.595
184 HG21 ILE 25 1HG2 ILE 25 17.362 -9.014 -11.147
185 HG22 ILE 25 2HG2 ILE 25 18.346 -8.086 -10.014
186 HG23 ILE 25 3HG2 ILE 25 18.564 -7.873 -11.751
187 HD11 ILE 25 3HD1 ILE 25 16.631 -8.174 -13.287
188 HD12 ILE 25 1HD1 ILE 25 16.605 -6.800 -14.393
189 HD13 ILE 25 2HD1 ILE 25 15.172 -7.196 -13.445
190 H ILE 26 H ILE 26 15.647 -6.190 -8.450
191 HA ILE 26 HA ILE 26 16.154 -8.458 -6.718
192 HB ILE 26 HB ILE 26 17.433 -6.383 -6.412
193 HG12 ILE 26 2HG1 ILE 26 15.858 -6.420 -3.916
194 HG13 ILE 26 1HG1 ILE 26 16.423 -7.994 -4.467
195 HG21 ILE 26 1HG2 ILE 26 16.538 -4.338 -6.131
196 HG22 ILE 26 2HG2 ILE 26 15.209 -4.940 -5.140
197 HG23 ILE 26 3HG2 ILE 26 15.126 -5.068 -6.897
198 HD11 ILE 26 3HD1 ILE 26 17.962 -5.654 -3.496
199 HD12 ILE 26 1HD1 ILE 26 18.705 -6.701 -4.707
200 HD13 ILE 26 2HD1 ILE 26 18.177 -7.373 -3.164
201 H THR 27 H THR 27 14.764 -9.345 -5.291
202 HA THR 27 HA THR 27 11.972 -8.729 -5.539
203 HB THR 27 HB THR 27 13.266 -10.601 -3.559
204 HG1 THR 27 1HG THR 27 13.926 -11.567 -5.313
205 HG21 THR 27 3HG2 THR 27 10.552 -10.681 -4.848
206 HG22 THR 27 1HG2 THR 27 10.887 -10.195 -3.187
207 HG23 THR 27 2HG2 THR 27 11.204 -11.852 -3.701
208 H ALA 28 H ALA 28 12.633 -6.431 -4.735
209 HA ALA 28 HA ALA 28 12.216 -6.350 -1.819
210 HB1 ALA 28 1HB ALA 28 13.587 -4.171 -3.358
211 HB2 ALA 28 2HB ALA 28 14.468 -5.554 -2.708
212 HB3 ALA 28 3HB ALA 28 13.597 -4.472 -1.620
213 H CYS 29 H CYS 29 11.401 -4.968 -4.938
214 HA CYS 29 HA CYS 29 9.684 -3.700 -5.666
215 HB2 CYS 29 2HB CYS 29 7.617 -4.257 -4.905
216 HB3 CYS 29 1HB CYS 29 8.515 -5.538 -4.120
217 H LYS 30 H LYS 30 9.059 -1.585 -5.648
218 HA LYS 30 HA LYS 30 10.435 0.163 -3.881
219 HB2 LYS 30 2HB LYS 30 9.286 0.402 -6.375
220 HB3 LYS 30 1HB LYS 30 8.211 1.358 -5.364
221 HG2 LYS 30 2HG LYS 30 10.832 2.060 -4.626
222 HG3 LYS 30 1HG LYS 30 10.797 2.017 -6.388
223 HD2 LYS 30 2HD LYS 30 8.462 3.304 -5.826
224 HD3 LYS 30 1HD LYS 30 9.500 3.867 -4.514
225 HE2 LYS 30 2HE LYS 30 11.207 4.482 -6.221
226 HE3 LYS 30 1HE LYS 30 10.040 4.062 -7.474
227 HZ1 LYS 30 3HZ LYS 30 9.926 6.279 -5.524
228 HZ2 LYS 30 1HZ LYS 30 8.532 5.731 -6.309
229 HZ3 LYS 30 2HZ LYS 30 9.822 6.350 -7.210
230 H ASN 31 H ASN 31 7.191 -1.105 -4.024
231 HA ASN 31 HA ASN 31 5.381 -0.927 -2.656
232 HB2 ASN 31 2HB ASN 31 7.506 -1.597 -1.103
233 HB3 ASN 31 1HB ASN 31 6.968 -0.126 -0.298
234 HD21 ASN 31 1HD2 ASN 31 6.879 -2.543 0.978
235 HD22 ASN 31 2HD2 ASN 31 5.234 -3.022 1.201
236 H CYS 32 H CYS 32 4.343 0.548 -0.869
237 HA CYS 32 HA CYS 32 4.319 3.208 -1.984
238 HB2 CYS 32 2HB CYS 32 2.496 1.562 -0.543
239 HB3 CYS 32 1HB CYS 32 2.727 3.041 0.380
240 H ALA 33 H ALA 33 5.302 1.670 1.032
241 HA ALA 33 HA ALA 33 6.051 4.197 2.233
242 HB1 ALA 33 1HB ALA 33 6.284 1.345 3.169
243 HB2 ALA 33 2HB ALA 33 5.154 2.580 3.727
244 HB3 ALA 33 3HB ALA 33 6.873 2.724 4.097
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 -16.474 13.107 -2.031
2 H2 ALA 1 2HT ALA 1 -16.644 14.813 -1.954
3 H3 ALA 1 3HT ALA 1 -15.530 14.107 -3.053
4 HA ALA 1 HA ALA 1 -18.412 13.581 -3.142
5 HB1 ALA 1 2HB ALA 1 -17.118 15.513 -5.001
6 HB2 ALA 1 3HB ALA 1 -17.591 16.066 -3.394
7 HB3 ALA 1 1HB ALA 1 -18.801 15.393 -4.486
8 H ASP 2 H ASP 2 -15.422 13.995 -5.045
9 HA ASP 2 HA ASP 2 -16.328 11.886 -6.859
10 HB2 ASP 2 2HB ASP 2 -14.522 12.631 -8.332
11 HB3 ASP 2 1HB ASP 2 -15.526 13.995 -7.851
12 H ARG 3 H ARG 3 -14.008 10.835 -7.787
13 HA ARG 3 HA ARG 3 -12.411 9.266 -7.391
14 HB2 ARG 3 2HB ARG 3 -11.962 11.274 -5.452
15 HB3 ARG 3 1HB ARG 3 -11.800 9.733 -4.623
16 HG2 ARG 3 2HG ARG 3 -10.427 9.530 -7.093
17 HG3 ARG 3 1HG ARG 3 -9.948 11.046 -6.328
18 HD2 ARG 3 2HD ARG 3 -9.894 9.308 -4.222
19 HD3 ARG 3 1HD ARG 3 -9.377 8.276 -5.555
20 HE ARG 3 HE ARG 3 -7.869 10.340 -4.313
21 HH11 ARG 3 1HH1 ARG 3 -8.437 8.785 -7.385
22 HH12 ARG 3 2HH1 ARG 3 -6.868 9.170 -8.011
23 HH21 ARG 3 1HH2 ARG 3 -5.806 10.847 -5.134
24 HH22 ARG 3 2HH2 ARG 3 -5.374 10.340 -6.733
25 H GLY 4 H GLY 4 -13.291 7.295 -7.379
26 HA2 GLY 4 2HA GLY 4 -14.592 6.390 -4.882
27 HA3 GLY 4 1HA GLY 4 -15.137 5.897 -6.478
28 H TRP 5 H TRP 5 -12.795 5.268 -7.739
29 HA TRP 5 HA TRP 5 -12.073 2.813 -6.353
30 HB2 TRP 5 2HB TRP 5 -12.688 3.119 -8.893
31 HB3 TRP 5 1HB TRP 5 -10.991 3.562 -9.043
32 HD1 TRP 5 HD TRP 5 -9.786 1.412 -7.004
33 HE1 TRP 5 1HE TRP 5 -9.740 -1.070 -7.684
34 HE3 TRP 5 3HE TRP 5 -13.419 1.488 -10.603
35 HZ2 TRP 5 2HZ TRP 5 -11.067 -2.770 -9.504
36 HZ3 TRP 5 3HZ TRP 5 -13.969 -0.609 -11.765
37 HH2 TRP 5 HH TRP 5 -12.818 -2.694 -11.226
38 H ILE 6 H ILE 6 -10.263 2.579 -5.227
39 HA ILE 6 HA ILE 6 -8.065 4.488 -5.695
40 HB ILE 6 HB ILE 6 -7.421 3.990 -3.296
41 HG12 ILE 6 2HG1 ILE 6 -10.249 2.910 -3.222
42 HG13 ILE 6 1HG1 ILE 6 -8.781 1.956 -3.029
43 HG21 ILE 6 1HG2 ILE 6 -9.615 5.367 -2.524
44 HG22 ILE 6 2HG2 ILE 6 -9.670 5.616 -4.269
45 HG23 ILE 6 3HG2 ILE 6 -8.236 6.086 -3.355
46 HD11 ILE 6 3HD1 ILE 6 -10.277 3.083 -1.017
47 HD12 ILE 6 1HD1 ILE 6 -8.903 4.178 -1.173
48 HD13 ILE 6 2HD1 ILE 6 -8.633 2.461 -0.873
49 H LYS 7 H LYS 7 -5.914 3.710 -5.474
50 HA LYS 7 HA LYS 7 -5.524 0.831 -5.287
51 HB2 LYS 7 2HB LYS 7 -4.062 0.966 -7.396
52 HB3 LYS 7 1HB LYS 7 -5.805 0.906 -7.609
53 HG2 LYS 7 2HG LYS 7 -4.888 3.631 -7.392
54 HG3 LYS 7 1HG LYS 7 -4.038 2.770 -8.676
55 HD2 LYS 7 2HD LYS 7 -5.876 2.633 -9.967
56 HD3 LYS 7 1HD LYS 7 -6.932 2.289 -8.595
57 HE2 LYS 7 2HE LYS 7 -6.381 4.847 -8.066
58 HE3 LYS 7 1HE LYS 7 -6.177 4.883 -9.816
59 HZ1 LYS 7 3HZ LYS 7 -8.478 5.367 -8.875
60 HZ2 LYS 7 1HZ LYS 7 -8.588 3.704 -8.579
61 HZ3 LYS 7 2HZ LYS 7 -8.381 4.272 -10.159
62 H DBB 8 H DBB 8 -4.290 1.089 -3.465
63 HA DBB 8 HA DBB 8 -1.558 1.781 -3.849
64 HB3 DBB 8 HB DBB 8 -3.100 1.144 -1.321
65 HG1 DBB 8 3HG2 DBB 8 -2.308 -1.050 -1.493
66 HG2 DBB 8 1HG2 DBB 8 -1.102 -0.620 -2.706
67 HG3 DBB 8 2HG2 DBB 8 -2.812 -0.659 -3.134
68 H LEU 9 H LEU 9 -3.591 3.042 -1.217
69 HA LEU 9 HA LEU 9 -3.478 5.740 -1.957
70 HB2 LEU 9 2HB LEU 9 -3.505 5.037 0.936
71 HB3 LEU 9 1HB LEU 9 -4.424 6.256 0.080
72 HG LEU 9 HG LEU 9 -6.084 4.781 0.615
73 HD11 LEU 9 1HD1 LEU 9 -6.908 4.133 -1.359
74 HD12 LEU 9 2HD1 LEU 9 -5.509 3.126 -1.729
75 HD13 LEU 9 3HD1 LEU 9 -5.446 4.863 -2.023
76 HD21 LEU 9 3HD2 LEU 9 -4.960 2.199 -0.032
77 HD22 LEU 9 1HD2 LEU 9 -5.700 2.763 1.465
78 HD23 LEU 9 2HD2 LEU 9 -3.985 3.048 1.167
79 H DBB 10 H DBB 10 -1.371 3.818 0.093
80 HA DBB 10 HA DBB 10 0.304 5.978 0.865
81 HB3 DBB 10 HB DBB 10 0.871 5.800 -1.549
82 HG1 DBB 10 3HG2 DBB 10 3.366 5.513 -1.246
83 HG2 DBB 10 1HG2 DBB 10 3.027 5.160 0.448
84 HG3 DBB 10 2HG2 DBB 10 2.591 6.727 -0.230
85 H LYS 11 H LYS 11 1.206 5.406 2.710
86 HA LYS 11 HA LYS 11 2.460 2.895 3.156
87 HB2 LYS 11 2HB LYS 11 1.614 4.835 5.301
88 HB3 LYS 11 1HB LYS 11 2.951 3.695 5.339
89 HG2 LYS 11 2HG LYS 11 4.302 5.295 4.631
90 HG3 LYS 11 1HG LYS 11 3.390 5.376 3.123
91 HD2 LYS 11 2HD LYS 11 2.980 7.499 3.732
92 HD3 LYS 11 1HD LYS 11 1.781 6.785 4.811
93 HE2 LYS 11 2HE LYS 11 3.059 7.108 6.672
94 HE3 LYS 11 1HE LYS 11 4.578 6.965 5.787
95 HZ1 LYS 11 3HZ LYS 11 4.620 9.177 6.089
96 HZ2 LYS 11 1HZ LYS 11 2.946 9.308 6.302
97 HZ3 LYS 11 2HZ LYS 11 3.596 9.209 4.743
98 H ASP 12 H ASP 12 -0.768 4.043 3.543
99 HA ASP 12 HA ASP 12 -1.484 1.822 5.303
100 HB2 ASP 12 2HB ASP 12 -3.707 2.917 5.400
101 HB3 ASP 12 1HB ASP 12 -2.402 3.987 5.904
102 H CYS 13 H CYS 13 -0.690 1.467 2.466
103 HA CYS 13 HA CYS 13 -2.868 0.976 0.801
104 HB2 CYS 13 2HB CYS 13 -0.049 0.044 0.935
105 HB3 CYS 13 1HB CYS 13 -1.146 -0.872 -0.089
106 HA PRO 14 HA PRO 14 -4.635 -2.638 2.689
107 HB2 PRO 14 2HB PRO 14 -6.127 -3.225 0.300
108 HB3 PRO 14 1HB PRO 14 -6.692 -2.449 1.779
109 HG2 PRO 14 2HG PRO 14 -6.472 -1.178 -0.647
110 HG3 PRO 14 1HG PRO 14 -6.437 -0.353 0.920
111 HD2 PRO 14 2HD PRO 14 -4.164 -1.133 -0.866
112 HD3 PRO 14 1HD PRO 14 -4.395 0.348 0.087
113 H ASN 15 H ASN 15 -2.081 -3.206 1.705
114 HA ASN 15 HA ASN 15 -0.779 -4.959 1.104
115 HB2 ASN 15 2HB ASN 15 -3.143 -6.102 2.144
116 HB3 ASN 15 1HB ASN 15 -2.740 -7.015 0.693
117 HD21 ASN 15 1HD2 ASN 15 -0.080 -7.085 0.652
118 HD22 ASN 15 2HD2 ASN 15 0.548 -7.873 2.056
119 H VAL 16 H VAL 16 0.078 -5.648 -0.759
120 HA VAL 16 HA VAL 16 -1.274 -6.528 -3.028
121 HB VAL 16 HB VAL 16 -2.174 -4.306 -3.269
122 HG11 VAL 16 1HG1 VAL 16 -1.004 -2.674 -2.292
123 HG12 VAL 16 2HG1 VAL 16 -0.143 -2.569 -3.827
124 HG13 VAL 16 3HG1 VAL 16 0.531 -3.516 -2.500
125 HG21 VAL 16 3HG2 VAL 16 -1.605 -5.406 -5.338
126 HG22 VAL 16 1HG2 VAL 16 0.057 -4.824 -5.234
127 HG23 VAL 16 2HG2 VAL 16 -1.262 -3.682 -5.487
128 H ILE 17 H ILE 17 0.558 -7.933 -2.634
129 HA ILE 17 HA ILE 17 2.944 -6.993 -4.053
130 HB ILE 17 HB ILE 17 3.153 -8.635 -1.535
131 HG12 ILE 17 2HG1 ILE 17 3.790 -5.695 -1.808
132 HG13 ILE 17 1HG1 ILE 17 2.262 -6.287 -1.163
133 HG21 ILE 17 1HG2 ILE 17 5.135 -9.042 -2.529
134 HG22 ILE 17 2HG2 ILE 17 5.549 -7.456 -1.879
135 HG23 ILE 17 3HG2 ILE 17 5.035 -7.613 -3.558
136 HD11 ILE 17 3HD1 ILE 17 4.478 -5.715 0.307
137 HD12 ILE 17 1HD1 ILE 17 4.621 -7.460 0.101
138 HD13 ILE 17 2HD1 ILE 17 3.165 -6.774 0.822
139 H SER 18 H SER 18 0.536 -8.971 -4.332
140 HA SER 18 HA SER 18 2.083 -11.391 -4.938
141 HB2 SER 18 2HB SER 18 -0.108 -12.523 -5.083
142 HB3 SER 18 1HB SER 18 0.107 -11.728 -3.523
143 HG SER 18 HG SER 18 -1.582 -10.570 -3.949
144 H SER 19 H SER 19 -0.852 -10.051 -6.422
145 HA SER 19 HA SER 19 0.155 -10.721 -9.051
146 HB2 SER 19 2HB SER 19 -2.362 -9.179 -8.802
147 HB3 SER 19 1HB SER 19 -2.013 -10.624 -9.749
148 HG SER 19 HG SER 19 -2.753 -10.402 -7.045
149 H ILE 20 H ILE 20 -0.168 -7.925 -7.034
150 HA ILE 20 HA ILE 20 0.496 -5.776 -7.261
151 HB ILE 20 HB ILE 20 2.388 -7.263 -8.667
152 HG12 ILE 20 2HG1 ILE 20 2.333 -4.368 -7.811
153 HG13 ILE 20 1HG1 ILE 20 2.917 -5.744 -6.882
154 HG21 ILE 20 1HG2 ILE 20 3.020 -6.012 -10.592
155 HG22 ILE 20 2HG2 ILE 20 1.785 -4.794 -10.280
156 HG23 ILE 20 3HG2 ILE 20 1.313 -6.422 -10.768
157 HD11 ILE 20 3HD1 ILE 20 4.165 -4.639 -9.390
158 HD12 ILE 20 1HD1 ILE 20 4.740 -6.042 -8.490
159 HD13 ILE 20 2HD1 ILE 20 4.766 -4.445 -7.743
160 H CYS 21 H CYS 21 -0.329 -3.931 -8.107
161 HA CYS 21 HA CYS 21 -2.579 -4.027 -9.726
162 HB2 CYS 21 2HB CYS 21 -0.792 -1.621 -9.381
163 HB3 CYS 21 1HB CYS 21 -2.515 -1.624 -9.742
164 H ALA 22 H ALA 22 0.734 -3.176 -10.553
165 HA ALA 22 HA ALA 22 0.238 -2.561 -13.266
166 HB1 ALA 22 1HB ALA 22 2.907 -3.494 -12.946
167 HB2 ALA 22 2HB ALA 22 2.463 -2.563 -11.516
168 HB3 ALA 22 3HB ALA 22 2.329 -1.836 -13.117
169 H GLY 23 H GLY 23 2.083 -4.012 -14.707
170 HA2 GLY 23 2HA GLY 23 0.774 -6.652 -14.776
171 HA3 GLY 23 1HA GLY 23 1.439 -5.830 -16.179
172 H THR 24 H THR 24 2.865 -6.362 -12.974
173 HA THR 24 HA THR 24 4.827 -7.312 -12.332
174 HB THR 24 HB THR 24 4.692 -9.183 -14.666
175 HG1 THR 24 1HG THR 24 2.955 -9.233 -12.425
176 HG21 THR 24 3HG2 THR 24 5.240 -9.639 -11.743
177 HG22 THR 24 1HG2 THR 24 6.451 -9.535 -13.021
178 HG23 THR 24 2HG2 THR 24 5.287 -10.859 -13.015
179 H ILE 25 H ILE 25 6.167 -5.558 -12.792
180 HA ILE 25 HA ILE 25 7.851 -5.922 -15.174
181 HB ILE 25 HB ILE 25 6.999 -3.214 -14.152
182 HG12 ILE 25 2HG1 ILE 25 5.079 -4.422 -15.118
183 HG13 ILE 25 1HG1 ILE 25 5.567 -3.065 -16.130
184 HG21 ILE 25 1HG2 ILE 25 8.460 -4.058 -16.651
185 HG22 ILE 25 2HG2 ILE 25 9.166 -3.246 -15.254
186 HG23 ILE 25 3HG2 ILE 25 7.975 -2.410 -16.251
187 HD11 ILE 25 3HD1 ILE 25 5.632 -4.460 -17.841
188 HD12 ILE 25 1HD1 ILE 25 5.365 -5.846 -16.784
189 HD13 ILE 25 2HD1 ILE 25 7.003 -5.264 -17.079
190 H ILE 26 H ILE 26 7.707 -3.736 -12.357
191 HA ILE 26 HA ILE 26 10.238 -4.807 -11.396
192 HB ILE 26 HB ILE 26 10.865 -2.225 -11.051
193 HG12 ILE 26 2HG1 ILE 26 9.972 -1.993 -13.860
194 HG13 ILE 26 1HG1 ILE 26 8.692 -1.902 -12.655
195 HG21 ILE 26 1HG2 ILE 26 12.329 -2.453 -13.043
196 HG22 ILE 26 2HG2 ILE 26 11.434 -3.908 -13.484
197 HG23 ILE 26 3HG2 ILE 26 12.353 -3.861 -11.979
198 HD11 ILE 26 3HD1 ILE 26 9.444 0.072 -11.806
199 HD12 ILE 26 1HD1 ILE 26 9.960 0.242 -13.485
200 HD13 ILE 26 2HD1 ILE 26 11.121 -0.247 -12.251
201 H THR 27 H THR 27 8.502 -1.777 -10.705
202 HA THR 27 HA THR 27 7.393 -2.817 -8.259
203 HB THR 27 HB THR 27 8.896 -0.479 -7.529
204 HG1 THR 27 1HG THR 27 10.481 -2.705 -8.274
205 HG21 THR 27 3HG2 THR 27 9.053 -3.309 -6.519
206 HG22 THR 27 1HG2 THR 27 7.990 -2.043 -5.905
207 HG23 THR 27 2HG2 THR 27 9.738 -1.887 -5.732
208 H ALA 28 H ALA 28 5.407 -2.084 -8.920
209 HA ALA 28 HA ALA 28 5.151 0.839 -9.162
210 HB1 ALA 28 1HB ALA 28 3.581 0.632 -10.845
211 HB2 ALA 28 2HB ALA 28 3.236 -1.054 -10.454
212 HB3 ALA 28 3HB ALA 28 4.760 -0.621 -11.232
213 H CYS 29 H CYS 29 3.623 -2.147 -8.053
214 HA CYS 29 HA CYS 29 2.095 -0.540 -6.121
215 HB2 CYS 29 2HB CYS 29 0.987 -2.023 -8.216
216 HB3 CYS 29 1HB CYS 29 0.755 -3.022 -6.785
217 H LYS 30 H LYS 30 4.629 -2.354 -6.199
218 HA LYS 30 HA LYS 30 3.972 -4.480 -4.383
219 HB2 LYS 30 2HB LYS 30 6.025 -4.055 -6.128
220 HB3 LYS 30 1HB LYS 30 6.793 -3.666 -4.595
221 HG2 LYS 30 2HG LYS 30 6.463 -5.819 -3.750
222 HG3 LYS 30 1HG LYS 30 5.254 -6.209 -4.976
223 HD2 LYS 30 2HD LYS 30 7.179 -5.863 -6.660
224 HD3 LYS 30 1HD LYS 30 8.234 -6.022 -5.254
225 HE2 LYS 30 2HE LYS 30 6.112 -8.064 -5.761
226 HE3 LYS 30 1HE LYS 30 7.620 -8.124 -6.673
227 HZ1 LYS 30 3HZ LYS 30 8.851 -8.517 -4.768
228 HZ2 LYS 30 1HZ LYS 30 7.455 -9.432 -4.493
229 HZ3 LYS 30 2HZ LYS 30 7.650 -7.936 -3.730
230 H ASN 31 H ASN 31 5.107 -1.203 -4.143
231 HA ASN 31 HA ASN 31 4.813 -1.330 -1.247
232 HB2 ASN 31 2HB ASN 31 7.302 -1.646 -2.126
233 HB3 ASN 31 1HB ASN 31 7.228 0.110 -2.244
234 HD21 ASN 31 1HD2 ASN 31 7.393 -2.610 -0.155
235 HD22 ASN 31 2HD2 ASN 31 7.554 -1.739 1.329
236 H CYS 32 H CYS 32 5.203 1.008 -0.345
237 HA CYS 32 HA CYS 32 4.243 3.025 -2.236
238 HB2 CYS 32 2HB CYS 32 2.542 1.750 -0.421
239 HB3 CYS 32 1HB CYS 32 2.903 3.303 0.321
240 H ALA 33 H ALA 33 4.871 2.677 1.262
241 HA ALA 33 HA ALA 33 6.202 3.843 2.693
242 HB1 ALA 33 1HB ALA 33 8.098 5.202 1.368
243 HB2 ALA 33 2HB ALA 33 7.632 4.049 0.118
244 HB3 ALA 33 3HB ALA 33 8.192 3.470 1.687
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 -15.189 6.541 -14.856
2 H2 ALA 1 2HT ALA 1 -14.037 7.704 -15.371
3 H3 ALA 1 3HT ALA 1 -15.065 6.944 -16.516
4 HA ALA 1 HA ALA 1 -15.886 9.072 -16.171
5 HB1 ALA 1 2HB ALA 1 -17.378 6.853 -15.918
6 HB2 ALA 1 3HB ALA 1 -18.049 8.484 -15.894
7 HB3 ALA 1 1HB ALA 1 -17.739 7.636 -14.380
8 H ASP 2 H ASP 2 -15.662 7.381 -13.046
9 HA ASP 2 HA ASP 2 -14.960 9.924 -11.784
10 HB2 ASP 2 2HB ASP 2 -17.516 9.075 -11.583
11 HB3 ASP 2 1HB ASP 2 -16.808 8.219 -10.217
12 H ARG 3 H ARG 3 -14.676 9.238 -9.225
13 HA ARG 3 HA ARG 3 -13.161 6.739 -9.106
14 HB2 ARG 3 2HB ARG 3 -11.219 7.822 -8.121
15 HB3 ARG 3 1HB ARG 3 -11.541 8.491 -9.714
16 HG2 ARG 3 2HG ARG 3 -11.848 10.543 -8.908
17 HG3 ARG 3 1HG ARG 3 -12.869 9.966 -7.590
18 HD2 ARG 3 2HD ARG 3 -11.154 9.880 -6.126
19 HD3 ARG 3 1HD ARG 3 -10.008 9.324 -7.345
20 HE ARG 3 HE ARG 3 -10.772 12.066 -7.682
21 HH11 ARG 3 1HH1 ARG 3 -8.613 9.906 -5.995
22 HH12 ARG 3 2HH1 ARG 3 -7.409 11.120 -5.725
23 HH21 ARG 3 1HH2 ARG 3 -9.188 13.664 -7.333
24 HH22 ARG 3 2HH2 ARG 3 -7.734 13.254 -6.483
25 H GLY 4 H GLY 4 -12.392 6.338 -6.790
26 HA2 GLY 4 2HA GLY 4 -14.015 7.607 -4.740
27 HA3 GLY 4 1HA GLY 4 -14.379 5.917 -5.053
28 H TRP 5 H TRP 5 -12.975 4.331 -4.362
29 HA TRP 5 HA TRP 5 -11.201 5.098 -2.229
30 HB2 TRP 5 2HB TRP 5 -12.695 2.817 -2.862
31 HB3 TRP 5 1HB TRP 5 -11.015 2.305 -2.989
32 HD1 TRP 5 HD TRP 5 -9.566 2.269 -0.749
33 HE1 TRP 5 1HE TRP 5 -10.231 2.300 1.737
34 HE3 TRP 5 3HE TRP 5 -14.427 3.781 -1.227
35 HZ2 TRP 5 2HZ TRP 5 -12.513 2.888 3.290
36 HZ3 TRP 5 3HZ TRP 5 -15.782 4.053 0.809
37 HH2 TRP 5 HH TRP 5 -14.843 3.615 3.020
38 H ILE 6 H ILE 6 -9.084 3.550 -2.210
39 HA ILE 6 HA ILE 6 -7.727 3.752 -4.796
40 HB ILE 6 HB ILE 6 -6.481 4.829 -2.268
41 HG12 ILE 6 2HG1 ILE 6 -6.732 6.994 -3.876
42 HG13 ILE 6 1HG1 ILE 6 -8.193 6.114 -4.313
43 HG21 ILE 6 1HG2 ILE 6 -4.619 5.316 -3.497
44 HG22 ILE 6 2HG2 ILE 6 -5.517 5.459 -5.008
45 HG23 ILE 6 3HG2 ILE 6 -5.163 3.866 -4.341
46 HD11 ILE 6 3HD1 ILE 6 -8.151 7.864 -2.346
47 HD12 ILE 6 1HD1 ILE 6 -7.596 6.461 -1.431
48 HD13 ILE 6 2HD1 ILE 6 -9.145 6.409 -2.273
49 H LYS 7 H LYS 7 -6.368 2.099 -5.192
50 HA LYS 7 HA LYS 7 -6.042 0.096 -3.082
51 HB2 LYS 7 2HB LYS 7 -5.274 -1.351 -5.028
52 HB3 LYS 7 1HB LYS 7 -6.963 -0.863 -5.035
53 HG2 LYS 7 2HG LYS 7 -6.602 0.727 -6.737
54 HG3 LYS 7 1HG LYS 7 -4.848 0.626 -6.561
55 HD2 LYS 7 2HD LYS 7 -4.897 -1.678 -7.378
56 HD3 LYS 7 1HD LYS 7 -6.652 -1.587 -7.541
57 HE2 LYS 7 2HE LYS 7 -6.546 -0.344 -9.429
58 HE3 LYS 7 1HE LYS 7 -5.114 0.534 -8.896
59 HZ1 LYS 7 3HZ LYS 7 -3.832 -1.536 -9.356
60 HZ2 LYS 7 1HZ LYS 7 -4.497 -0.809 -10.732
61 HZ3 LYS 7 2HZ LYS 7 -5.220 -2.187 -10.070
62 H DBB 8 H DBB 8 -4.461 2.497 -3.041
63 HA DBB 8 HA DBB 8 -1.870 2.024 -4.088
64 HB3 DBB 8 HB DBB 8 -1.821 0.249 -2.417
65 HG1 DBB 8 3HG2 DBB 8 0.137 0.808 -1.203
66 HG2 DBB 8 1HG2 DBB 8 -0.232 2.531 -1.265
67 HG3 DBB 8 2HG2 DBB 8 0.247 1.679 -2.731
68 H LEU 9 H LEU 9 -3.745 3.509 -1.479
69 HA LEU 9 HA LEU 9 -3.222 6.128 -2.227
70 HB2 LEU 9 2HB LEU 9 -4.158 6.801 -0.142
71 HB3 LEU 9 1HB LEU 9 -5.034 5.387 -0.697
72 HG LEU 9 HG LEU 9 -2.791 4.779 1.103
73 HD11 LEU 9 1HD1 LEU 9 -4.518 5.427 3.026
74 HD12 LEU 9 2HD1 LEU 9 -4.911 6.698 1.870
75 HD13 LEU 9 3HD1 LEU 9 -3.261 6.529 2.468
76 HD21 LEU 9 3HD2 LEU 9 -4.412 3.108 0.335
77 HD22 LEU 9 1HD2 LEU 9 -5.712 4.021 1.099
78 HD23 LEU 9 2HD2 LEU 9 -4.450 3.289 2.089
79 H DBB 10 H DBB 10 -1.298 3.941 -0.331
80 HA DBB 10 HA DBB 10 0.386 5.997 0.766
81 HB3 DBB 10 HB DBB 10 0.917 5.620 -1.779
82 HG1 DBB 10 3HG2 DBB 10 3.354 6.011 -1.340
83 HG2 DBB 10 1HG2 DBB 10 3.007 5.811 0.376
84 HG3 DBB 10 2HG2 DBB 10 2.252 7.121 -0.527
85 H LYS 11 H LYS 11 1.191 5.289 2.618
86 HA LYS 11 HA LYS 11 2.163 2.605 2.959
87 HB2 LYS 11 2HB LYS 11 1.893 4.951 4.834
88 HB3 LYS 11 1HB LYS 11 2.511 3.389 5.349
89 HG2 LYS 11 2HG LYS 11 4.225 3.636 3.480
90 HG3 LYS 11 1HG LYS 11 3.720 5.326 3.408
91 HD2 LYS 11 2HD LYS 11 5.321 5.627 4.963
92 HD3 LYS 11 1HD LYS 11 4.098 5.013 6.076
93 HE2 LYS 11 2HE LYS 11 5.155 3.035 6.358
94 HE3 LYS 11 1HE LYS 11 5.716 2.975 4.688
95 HZ1 LYS 11 3HZ LYS 11 6.906 5.009 6.403
96 HZ2 LYS 11 1HZ LYS 11 7.614 4.066 5.189
97 HZ3 LYS 11 2HZ LYS 11 7.337 3.405 6.721
98 H ASP 12 H ASP 12 -0.895 3.958 3.113
99 HA ASP 12 HA ASP 12 -1.860 2.272 5.276
100 HB2 ASP 12 2HB ASP 12 -2.871 4.594 3.777
101 HB3 ASP 12 1HB ASP 12 -4.098 3.401 4.193
102 H CYS 13 H CYS 13 -0.828 1.087 2.751
103 HA CYS 13 HA CYS 13 -3.280 -0.258 1.829
104 HB2 CYS 13 2HB CYS 13 -0.638 0.200 0.442
105 HB3 CYS 13 1HB CYS 13 -1.874 -0.889 -0.177
106 HA PRO 14 HA PRO 14 -1.197 -3.530 4.245
107 HB2 PRO 14 2HB PRO 14 -3.866 -4.735 4.267
108 HB3 PRO 14 1HB PRO 14 -2.853 -4.239 5.625
109 HG2 PRO 14 2HG PRO 14 -5.105 -2.916 4.951
110 HG3 PRO 14 1HG PRO 14 -3.690 -2.094 5.638
111 HD2 PRO 14 2HD PRO 14 -4.590 -2.252 2.783
112 HD3 PRO 14 1HD PRO 14 -3.944 -0.865 3.686
113 H ASN 15 H ASN 15 -3.135 -3.662 1.382
114 HA ASN 15 HA ASN 15 -2.095 -6.353 0.791
115 HB2 ASN 15 2HB ASN 15 -4.647 -4.975 0.100
116 HB3 ASN 15 1HB ASN 15 -3.990 -6.122 -1.064
117 HD21 ASN 15 1HD2 ASN 15 -5.591 -7.623 -0.805
118 HD22 ASN 15 2HD2 ASN 15 -5.792 -8.552 0.638
119 H VAL 16 H VAL 16 -3.391 -3.949 -1.451
120 HA VAL 16 HA VAL 16 -2.590 -3.254 -3.478
121 HB VAL 16 HB VAL 16 -1.636 -1.603 -1.970
122 HG11 VAL 16 1HG1 VAL 16 0.810 -1.851 -1.347
123 HG12 VAL 16 2HG1 VAL 16 0.631 -3.560 -1.741
124 HG13 VAL 16 3HG1 VAL 16 -0.340 -2.846 -0.455
125 HG21 VAL 16 3HG2 VAL 16 -0.942 -0.798 -3.934
126 HG22 VAL 16 1HG2 VAL 16 -0.404 -2.382 -4.494
127 HG23 VAL 16 2HG2 VAL 16 0.651 -1.401 -3.477
128 H ILE 17 H ILE 17 -2.479 -5.803 -3.799
129 HA ILE 17 HA ILE 17 0.183 -6.322 -4.924
130 HB ILE 17 HB ILE 17 0.175 -7.718 -3.041
131 HG12 ILE 17 2HG1 ILE 17 -0.857 -9.545 -5.207
132 HG13 ILE 17 1HG1 ILE 17 0.737 -8.798 -5.271
133 HG21 ILE 17 1HG2 ILE 17 -2.288 -7.465 -2.619
134 HG22 ILE 17 2HG2 ILE 17 -1.626 -9.065 -2.281
135 HG23 ILE 17 3HG2 ILE 17 -2.542 -8.785 -3.761
136 HD11 ILE 17 3HD1 ILE 17 1.314 -9.906 -3.156
137 HD12 ILE 17 1HD1 ILE 17 0.894 -11.053 -4.429
138 HD13 ILE 17 2HD1 ILE 17 -0.267 -10.686 -3.154
139 H SER 18 H SER 18 0.213 -7.000 -6.929
140 HA SER 18 HA SER 18 -1.534 -8.620 -8.296
141 HB2 SER 18 2HB SER 18 -2.471 -6.458 -9.709
142 HB3 SER 18 1HB SER 18 -3.392 -7.342 -8.494
143 HG SER 18 HG SER 18 -1.705 -5.185 -7.800
144 H SER 19 H SER 19 -0.468 -5.397 -9.337
145 HA SER 19 HA SER 19 1.706 -6.620 -10.874
146 HB2 SER 19 2HB SER 19 1.001 -4.906 -12.734
147 HB3 SER 19 1HB SER 19 0.188 -6.468 -12.626
148 HG SER 19 HG SER 19 -1.414 -4.975 -12.753
149 H ILE 20 H ILE 20 2.985 -5.679 -9.175
150 HA ILE 20 HA ILE 20 4.466 -4.130 -8.438
151 HB ILE 20 HB ILE 20 3.921 -3.271 -11.079
152 HG12 ILE 20 2HG1 ILE 20 6.105 -2.603 -9.100
153 HG13 ILE 20 1HG1 ILE 20 6.108 -3.895 -10.295
154 HG21 ILE 20 1HG2 ILE 20 2.676 -1.383 -10.100
155 HG22 ILE 20 2HG2 ILE 20 4.122 -0.862 -10.963
156 HG23 ILE 20 3HG2 ILE 20 4.121 -0.919 -9.200
157 HD11 ILE 20 3HD1 ILE 20 6.829 -1.091 -10.569
158 HD12 ILE 20 1HD1 ILE 20 5.745 -1.663 -11.837
159 HD13 ILE 20 2HD1 ILE 20 7.279 -2.485 -11.552
160 H CYS 21 H CYS 21 4.541 -2.133 -7.216
161 HA CYS 21 HA CYS 21 1.862 -1.326 -6.300
162 HB2 CYS 21 2HB CYS 21 4.126 -0.811 -4.486
163 HB3 CYS 21 1HB CYS 21 2.520 -1.421 -4.137
164 H ALA 22 H ALA 22 4.908 -0.236 -7.508
165 HA ALA 22 HA ALA 22 4.304 2.550 -6.873
166 HB1 ALA 22 1HB ALA 22 6.636 2.592 -8.309
167 HB2 ALA 22 2HB ALA 22 6.722 1.031 -7.493
168 HB3 ALA 22 3HB ALA 22 6.519 2.507 -6.552
169 H GLY 23 H GLY 23 5.318 3.943 -8.921
170 HA2 GLY 23 2HA GLY 23 3.669 3.103 -11.228
171 HA3 GLY 23 1HA GLY 23 3.820 4.776 -10.710
172 H THR 24 H THR 24 6.165 2.160 -11.307
173 HA THR 24 HA THR 24 7.313 3.654 -13.514
174 HB THR 24 HB THR 24 9.212 2.822 -11.353
175 HG1 THR 24 1HG THR 24 8.915 4.660 -10.261
176 HG21 THR 24 3HG2 THR 24 9.289 5.048 -13.374
177 HG22 THR 24 1HG2 THR 24 10.155 3.515 -13.480
178 HG23 THR 24 2HG2 THR 24 10.551 4.665 -12.204
179 H ILE 25 H ILE 25 8.982 2.414 -14.661
180 HA ILE 25 HA ILE 25 8.445 -0.467 -14.445
181 HB ILE 25 HB ILE 25 9.298 -0.619 -16.758
182 HG12 ILE 25 2HG1 ILE 25 9.095 2.161 -17.468
183 HG13 ILE 25 1HG1 ILE 25 10.297 1.969 -16.195
184 HG21 ILE 25 1HG2 ILE 25 7.124 1.452 -16.534
185 HG22 ILE 25 2HG2 ILE 25 6.885 -0.264 -16.205
186 HG23 ILE 25 3HG2 ILE 25 7.357 0.267 -17.820
187 HD11 ILE 25 3HD1 ILE 25 11.394 0.228 -17.576
188 HD12 ILE 25 1HD1 ILE 25 11.383 1.828 -18.316
189 HD13 ILE 25 2HD1 ILE 25 10.250 0.594 -18.868
190 H ILE 26 H ILE 26 10.384 1.013 -12.783
191 HA ILE 26 HA ILE 26 12.666 -0.720 -13.282
192 HB ILE 26 HB ILE 26 13.094 2.243 -12.904
193 HG12 ILE 26 2HG1 ILE 26 13.318 0.595 -15.435
194 HG13 ILE 26 1HG1 ILE 26 12.092 1.815 -15.107
195 HG21 ILE 26 1HG2 ILE 26 15.043 1.360 -12.161
196 HG22 ILE 26 2HG2 ILE 26 15.399 1.318 -13.889
197 HG23 ILE 26 3HG2 ILE 26 14.839 -0.139 -13.069
198 HD11 ILE 26 3HD1 ILE 26 14.831 2.115 -16.039
199 HD12 ILE 26 1HD1 ILE 26 14.409 3.204 -14.718
200 HD13 ILE 26 2HD1 ILE 26 13.448 3.199 -16.197
201 H THR 27 H THR 27 10.796 -0.960 -11.283
202 HA THR 27 HA THR 27 12.458 -0.734 -8.947
203 HB THR 27 HB THR 27 10.238 0.374 -7.833
204 HG1 THR 27 1HG THR 27 10.572 1.687 -10.321
205 HG21 THR 27 3HG2 THR 27 12.497 1.950 -9.041
206 HG22 THR 27 1HG2 THR 27 12.523 1.155 -7.466
207 HG23 THR 27 2HG2 THR 27 11.407 2.488 -7.763
208 H ALA 28 H ALA 28 11.342 -1.674 -6.998
209 HA ALA 28 HA ALA 28 9.433 -3.765 -7.827
210 HB1 ALA 28 1HB ALA 28 11.448 -4.093 -5.620
211 HB2 ALA 28 2HB ALA 28 11.797 -4.523 -7.295
212 HB3 ALA 28 3HB ALA 28 10.495 -5.337 -6.428
213 H CYS 29 H CYS 29 9.062 -1.044 -6.611
214 HA CYS 29 HA CYS 29 8.021 0.000 -4.862
215 HB2 CYS 29 2HB CYS 29 5.783 -0.890 -4.436
216 HB3 CYS 29 1HB CYS 29 6.164 -0.895 -6.151
217 H LYS 30 H LYS 30 9.894 -0.552 -3.430
218 HA LYS 30 HA LYS 30 9.581 -2.682 -1.542
219 HB2 LYS 30 2HB LYS 30 11.662 -0.982 -2.333
220 HB3 LYS 30 1HB LYS 30 11.361 -0.581 -0.647
221 HG2 LYS 30 2HG LYS 30 13.066 -2.282 -0.817
222 HG3 LYS 30 1HG LYS 30 11.622 -2.943 -0.049
223 HD2 LYS 30 2HD LYS 30 11.034 -3.615 -2.534
224 HD3 LYS 30 1HD LYS 30 12.784 -3.509 -2.732
225 HE2 LYS 30 2HE LYS 30 13.186 -5.274 -1.316
226 HE3 LYS 30 1HE LYS 30 11.689 -5.031 -0.416
227 HZ1 LYS 30 3HZ LYS 30 12.042 -6.970 -2.205
228 HZ2 LYS 30 1HZ LYS 30 11.371 -5.778 -3.202
229 HZ3 LYS 30 2HZ LYS 30 10.529 -6.309 -1.835
230 H ASN 31 H ASN 31 8.747 0.694 -1.679
231 HA ASN 31 HA ASN 31 7.040 0.414 0.629
232 HB2 ASN 31 2HB ASN 31 9.226 2.504 0.695
233 HB3 ASN 31 1HB ASN 31 8.009 2.210 1.932
234 HD21 ASN 31 1HD2 ASN 31 8.392 0.733 3.466
235 HD22 ASN 31 2HD2 ASN 31 9.794 -0.272 3.536
236 H CYS 32 H CYS 32 5.433 2.006 0.732
237 HA CYS 32 HA CYS 32 4.894 3.314 -1.763
238 HB2 CYS 32 2HB CYS 32 3.285 2.306 0.155
239 HB3 CYS 32 1HB CYS 32 3.254 4.007 0.606
240 H ALA 33 H ALA 33 5.541 4.439 1.549
241 HA ALA 33 HA ALA 33 5.390 7.172 1.110
242 HB1 ALA 33 1HB ALA 33 5.932 7.240 3.263
243 HB2 ALA 33 2HB ALA 33 7.534 6.580 2.935
244 HB3 ALA 33 3HB ALA 33 6.171 5.494 3.207
Start of MODEL 11
1 H1 ALA 1 1HT ALA 1 -22.894 6.799 -3.602
2 H2 ALA 1 2HT ALA 1 -22.447 5.142 -3.622
3 H3 ALA 1 3HT ALA 1 -22.296 6.091 -5.044
4 HA ALA 1 HA ALA 1 -20.704 7.493 -3.870
5 HB1 ALA 1 2HB ALA 1 -20.066 7.113 -1.739
6 HB2 ALA 1 3HB ALA 1 -20.223 5.362 -1.889
7 HB3 ALA 1 1HB ALA 1 -21.656 6.357 -1.626
8 H ASP 2 H ASP 2 -19.034 7.231 -5.177
9 HA ASP 2 HA ASP 2 -17.909 4.536 -5.521
10 HB2 ASP 2 2HB ASP 2 -17.409 5.286 -7.934
11 HB3 ASP 2 1HB ASP 2 -19.062 4.817 -7.550
12 H ARG 3 H ARG 3 -17.323 7.995 -6.141
13 HA ARG 3 HA ARG 3 -15.439 9.267 -6.024
14 HB2 ARG 3 2HB ARG 3 -14.571 7.284 -3.917
15 HB3 ARG 3 1HB ARG 3 -14.038 8.950 -4.088
16 HG2 ARG 3 2HG ARG 3 -16.861 8.973 -3.883
17 HG3 ARG 3 1HG ARG 3 -16.234 7.924 -2.610
18 HD2 ARG 3 2HD ARG 3 -15.006 9.635 -1.633
19 HD3 ARG 3 1HD ARG 3 -14.999 10.604 -3.106
20 HE ARG 3 HE ARG 3 -17.019 10.569 -1.063
21 HH11 ARG 3 1HH1 ARG 3 -16.363 11.247 -4.424
22 HH12 ARG 3 2HH1 ARG 3 -17.689 12.348 -4.590
23 HH21 ARG 3 1HH2 ARG 3 -18.764 12.015 -1.279
24 HH22 ARG 3 2HH2 ARG 3 -19.053 12.784 -2.804
25 H GLY 4 H GLY 4 -15.456 7.015 -7.896
26 HA2 GLY 4 2HA GLY 4 -14.013 6.021 -9.380
27 HA3 GLY 4 1HA GLY 4 -12.814 7.181 -8.830
28 H TRP 5 H TRP 5 -11.762 4.893 -9.500
29 HA TRP 5 HA TRP 5 -11.600 3.184 -7.130
30 HB2 TRP 5 2HB TRP 5 -11.858 2.390 -9.634
31 HB3 TRP 5 1HB TRP 5 -10.109 2.600 -9.656
32 HD1 TRP 5 HD TRP 5 -8.801 1.184 -7.561
33 HE1 TRP 5 1HE TRP 5 -9.283 -1.219 -6.776
34 HE3 TRP 5 3HE TRP 5 -13.533 0.656 -9.422
35 HZ2 TRP 5 2HZ TRP 5 -11.391 -3.091 -6.925
36 HZ3 TRP 5 3HZ TRP 5 -14.712 -1.474 -9.058
37 HH2 TRP 5 HH TRP 5 -13.662 -3.307 -7.835
38 H ILE 6 H ILE 6 -9.644 2.706 -6.109
39 HA ILE 6 HA ILE 6 -7.348 4.396 -6.822
40 HB ILE 6 HB ILE 6 -8.536 5.479 -4.961
41 HG12 ILE 6 2HG1 ILE 6 -6.112 4.364 -3.643
42 HG13 ILE 6 1HG1 ILE 6 -5.890 5.151 -5.202
43 HG21 ILE 6 1HG2 ILE 6 -7.818 3.376 -3.026
44 HG22 ILE 6 2HG2 ILE 6 -9.164 3.007 -4.104
45 HG23 ILE 6 3HG2 ILE 6 -9.223 4.441 -3.080
46 HD11 ILE 6 3HD1 ILE 6 -5.583 6.924 -3.818
47 HD12 ILE 6 1HD1 ILE 6 -6.683 6.300 -2.589
48 HD13 ILE 6 2HD1 ILE 6 -7.327 7.040 -4.056
49 H LYS 7 H LYS 7 -5.359 3.477 -6.543
50 HA LYS 7 HA LYS 7 -5.281 0.766 -5.397
51 HB2 LYS 7 2HB LYS 7 -3.742 0.073 -7.153
52 HB3 LYS 7 1HB LYS 7 -5.251 0.642 -7.855
53 HG2 LYS 7 2HG LYS 7 -3.624 2.897 -7.745
54 HG3 LYS 7 1HG LYS 7 -2.558 1.589 -8.261
55 HD2 LYS 7 2HD LYS 7 -3.592 1.364 -10.255
56 HD3 LYS 7 1HD LYS 7 -5.193 1.657 -9.572
57 HE2 LYS 7 2HE LYS 7 -5.022 3.939 -9.800
58 HE3 LYS 7 1HE LYS 7 -3.260 3.920 -9.739
59 HZ1 LYS 7 3HZ LYS 7 -3.766 4.392 -11.945
60 HZ2 LYS 7 1HZ LYS 7 -5.027 3.265 -12.014
61 HZ3 LYS 7 2HZ LYS 7 -3.420 2.736 -11.971
62 H DBB 8 H DBB 8 -4.157 0.997 -3.566
63 HA DBB 8 HA DBB 8 -1.410 1.734 -3.671
64 HB3 DBB 8 HB DBB 8 -3.089 1.296 -1.189
65 HG1 DBB 8 3HG2 DBB 8 -2.655 -1.001 -1.281
66 HG2 DBB 8 1HG2 DBB 8 -1.453 -0.816 -2.560
67 HG3 DBB 8 2HG2 DBB 8 -3.165 -0.597 -2.918
68 H LEU 9 H LEU 9 -3.439 3.037 -1.082
69 HA LEU 9 HA LEU 9 -3.058 5.741 -2.078
70 HB2 LEU 9 2HB LEU 9 -4.452 6.349 -0.048
71 HB3 LEU 9 1HB LEU 9 -5.238 5.429 -1.312
72 HG LEU 9 HG LEU 9 -5.691 4.808 1.149
73 HD11 LEU 9 1HD1 LEU 9 -5.752 3.375 -1.222
74 HD12 LEU 9 2HD1 LEU 9 -6.565 2.964 0.288
75 HD13 LEU 9 3HD1 LEU 9 -4.975 2.289 -0.068
76 HD21 LEU 9 3HD2 LEU 9 -3.009 3.482 0.762
77 HD22 LEU 9 1HD2 LEU 9 -4.134 3.142 2.076
78 HD23 LEU 9 2HD2 LEU 9 -3.402 4.740 1.933
79 H DBB 10 H DBB 10 -0.737 4.243 -1.088
80 HA DBB 10 HA DBB 10 0.002 6.061 1.105
81 HB3 DBB 10 HB DBB 10 1.490 6.765 -0.469
82 HG1 DBB 10 3HG2 DBB 10 2.992 5.728 1.163
83 HG2 DBB 10 1HG2 DBB 10 3.644 5.623 -0.472
84 HG3 DBB 10 2HG2 DBB 10 2.907 4.207 0.278
85 H LYS 11 H LYS 11 1.623 5.277 2.626
86 HA LYS 11 HA LYS 11 2.387 2.593 2.853
87 HB2 LYS 11 2HB LYS 11 2.022 4.564 5.113
88 HB3 LYS 11 1HB LYS 11 3.039 3.129 5.121
89 HG2 LYS 11 2HG LYS 11 4.696 4.126 3.961
90 HG3 LYS 11 1HG LYS 11 3.584 5.096 2.993
91 HD2 LYS 11 2HD LYS 11 3.146 6.368 5.203
92 HD3 LYS 11 1HD LYS 11 4.653 5.625 5.743
93 HE2 LYS 11 2HE LYS 11 5.929 6.784 4.214
94 HE3 LYS 11 1HE LYS 11 4.576 7.024 3.108
95 HZ1 LYS 11 3HZ LYS 11 3.638 8.507 4.931
96 HZ2 LYS 11 1HZ LYS 11 4.951 9.106 4.047
97 HZ3 LYS 11 2HZ LYS 11 5.189 8.486 5.602
98 H ASP 12 H ASP 12 -0.643 4.070 3.438
99 HA ASP 12 HA ASP 12 -1.545 2.083 5.337
100 HB2 ASP 12 2HB ASP 12 -2.882 4.406 3.962
101 HB3 ASP 12 1HB ASP 12 -3.786 3.260 4.948
102 H CYS 13 H CYS 13 -0.820 1.668 2.278
103 HA CYS 13 HA CYS 13 -2.964 0.846 0.804
104 HB2 CYS 13 2HB CYS 13 -0.159 -0.174 1.033
105 HB3 CYS 13 1HB CYS 13 -1.304 -1.029 0.009
106 HA PRO 14 HA PRO 14 -4.458 -2.325 3.711
107 HB2 PRO 14 2HB PRO 14 -6.946 -2.135 2.194
108 HB3 PRO 14 1HB PRO 14 -6.648 -1.770 3.894
109 HG2 PRO 14 2HG PRO 14 -7.189 0.150 2.064
110 HG3 PRO 14 1HG PRO 14 -6.149 0.433 3.471
111 HD2 PRO 14 2HD PRO 14 -5.382 -0.115 0.626
112 HD3 PRO 14 1HD PRO 14 -4.691 1.053 1.773
113 H ASN 15 H ASN 15 -4.015 -2.316 0.346
114 HA ASN 15 HA ASN 15 -5.021 -5.019 -0.038
115 HB2 ASN 15 2HB ASN 15 -4.973 -2.893 -1.708
116 HB3 ASN 15 1HB ASN 15 -3.492 -3.706 -2.202
117 HD21 ASN 15 1HD2 ASN 15 -4.552 -4.027 -4.231
118 HD22 ASN 15 2HD2 ASN 15 -5.662 -5.337 -4.429
119 H VAL 16 H VAL 16 -1.918 -3.294 -0.324
120 HA VAL 16 HA VAL 16 -0.539 -5.883 -0.337
121 HB VAL 16 HB VAL 16 1.493 -4.454 -0.902
122 HG11 VAL 16 1HG1 VAL 16 1.022 -4.512 -3.211
123 HG12 VAL 16 2HG1 VAL 16 -0.708 -4.295 -2.944
124 HG13 VAL 16 3HG1 VAL 16 0.070 -5.815 -2.500
125 HG21 VAL 16 3HG2 VAL 16 -0.464 -2.375 -1.785
126 HG22 VAL 16 1HG2 VAL 16 1.273 -2.238 -1.520
127 HG23 VAL 16 2HG2 VAL 16 0.177 -2.339 -0.142
128 H ILE 17 H ILE 17 0.391 -6.601 1.437
129 HA ILE 17 HA ILE 17 1.327 -4.678 3.455
130 HB ILE 17 HB ILE 17 0.358 -7.234 4.546
131 HG12 ILE 17 2HG1 ILE 17 -1.628 -5.191 3.520
132 HG13 ILE 17 1HG1 ILE 17 -1.399 -6.809 2.864
133 HG21 ILE 17 1HG2 ILE 17 0.014 -6.004 6.421
134 HG22 ILE 17 2HG2 ILE 17 -0.553 -4.593 5.528
135 HG23 ILE 17 3HG2 ILE 17 1.174 -4.941 5.622
136 HD11 ILE 17 3HD1 ILE 17 -2.487 -7.807 4.593
137 HD12 ILE 17 1HD1 ILE 17 -3.314 -6.249 4.594
138 HD13 ILE 17 2HD1 ILE 17 -2.021 -6.562 5.753
139 H SER 18 H SER 18 2.276 -6.636 5.273
140 HA SER 18 HA SER 18 3.989 -8.088 5.678
141 HB2 SER 18 2HB SER 18 2.999 -9.089 3.352
142 HB3 SER 18 1HB SER 18 4.638 -8.670 2.855
143 HG SER 18 HG SER 18 3.883 -10.796 4.182
144 H SER 19 H SER 19 6.396 -8.504 4.569
145 HA SER 19 HA SER 19 7.760 -6.095 5.044
146 HB2 SER 19 2HB SER 19 9.772 -7.309 4.316
147 HB3 SER 19 1HB SER 19 8.792 -8.293 5.403
148 HG SER 19 HG SER 19 9.657 -9.114 3.188
149 H ILE 20 H ILE 20 6.639 -7.597 2.092
150 HA ILE 20 HA ILE 20 7.256 -5.135 0.662
151 HB ILE 20 HB ILE 20 7.865 -7.531 -0.935
152 HG12 ILE 20 2HG1 ILE 20 9.813 -6.624 1.200
153 HG13 ILE 20 1HG1 ILE 20 8.902 -8.131 1.250
154 HG21 ILE 20 1HG2 ILE 20 9.939 -5.786 -1.191
155 HG22 ILE 20 2HG2 ILE 20 8.618 -4.711 -0.733
156 HG23 ILE 20 3HG2 ILE 20 8.459 -5.747 -2.152
157 HD11 ILE 20 3HD1 ILE 20 10.524 -7.641 -1.167
158 HD12 ILE 20 1HD1 ILE 20 10.220 -9.135 -0.283
159 HD13 ILE 20 2HD1 ILE 20 11.393 -7.971 0.331
160 H CYS 21 H CYS 21 6.543 -5.799 -1.846
161 HA CYS 21 HA CYS 21 3.773 -6.729 -1.552
162 HB2 CYS 21 2HB CYS 21 4.809 -4.754 -3.586
163 HB3 CYS 21 1HB CYS 21 3.130 -5.191 -3.296
164 H ALA 22 H ALA 22 6.589 -6.657 -3.641
165 HA ALA 22 HA ALA 22 6.309 -9.274 -4.565
166 HB1 ALA 22 1HB ALA 22 5.112 -9.219 -6.476
167 HB2 ALA 22 2HB ALA 22 5.666 -7.600 -6.903
168 HB3 ALA 22 3HB ALA 22 4.367 -7.805 -5.729
169 H GLY 23 H GLY 23 7.388 -9.129 -7.116
170 HA2 GLY 23 2HA GLY 23 10.101 -8.686 -6.594
171 HA3 GLY 23 1HA GLY 23 9.398 -8.876 -8.193
172 H THR 24 H THR 24 11.183 -6.860 -6.336
173 HA THR 24 HA THR 24 10.895 -4.684 -8.181
174 HB THR 24 HB THR 24 10.534 -3.643 -5.461
175 HG1 THR 24 1HG THR 24 9.084 -5.218 -5.125
176 HG21 THR 24 3HG2 THR 24 8.955 -3.147 -7.970
177 HG22 THR 24 1HG2 THR 24 10.402 -2.257 -7.499
178 HG23 THR 24 2HG2 THR 24 8.952 -2.177 -6.498
179 H ILE 25 H ILE 25 12.072 -2.682 -6.537
180 HA ILE 25 HA ILE 25 14.772 -3.198 -6.850
181 HB ILE 25 HB ILE 25 13.584 -1.305 -4.818
182 HG12 ILE 25 2HG1 ILE 25 14.211 -0.884 -7.750
183 HG13 ILE 25 1HG1 ILE 25 12.609 -0.897 -7.019
184 HG21 ILE 25 1HG2 ILE 25 16.208 -1.099 -6.279
185 HG22 ILE 25 2HG2 ILE 25 16.041 -1.805 -4.672
186 HG23 ILE 25 3HG2 ILE 25 15.635 -0.109 -4.937
187 HD11 ILE 25 3HD1 ILE 25 14.392 1.031 -5.781
188 HD12 ILE 25 1HD1 ILE 25 12.761 1.236 -6.420
189 HD13 ILE 25 2HD1 ILE 25 14.149 1.317 -7.504
190 H ILE 26 H ILE 26 13.123 -2.972 -3.685
191 HA ILE 26 HA ILE 26 14.605 -5.281 -2.738
192 HB ILE 26 HB ILE 26 15.111 -3.747 -0.597
193 HG12 ILE 26 2HG1 ILE 26 15.960 -1.809 -2.675
194 HG13 ILE 26 1HG1 ILE 26 14.248 -1.801 -2.265
195 HG21 ILE 26 1HG2 ILE 26 16.751 -4.267 -3.049
196 HG22 ILE 26 2HG2 ILE 26 16.820 -5.058 -1.474
197 HG23 ILE 26 3HG2 ILE 26 17.427 -3.412 -1.661
198 HD11 ILE 26 3HD1 ILE 26 14.877 -0.360 -0.680
199 HD12 ILE 26 1HD1 ILE 26 16.561 -0.882 -0.729
200 HD13 ILE 26 2HD1 ILE 26 15.377 -1.805 0.197
201 H THR 27 H THR 27 13.131 -2.681 -0.831
202 HA THR 27 HA THR 27 11.032 -4.587 -0.032
203 HB THR 27 HB THR 27 12.164 -2.378 1.685
204 HG1 THR 27 1HG THR 27 13.756 -3.952 1.265
205 HG21 THR 27 3HG2 THR 27 9.933 -3.165 2.331
206 HG22 THR 27 1HG2 THR 27 11.165 -3.559 3.530
207 HG23 THR 27 2HG2 THR 27 10.562 -4.808 2.440
208 H ALA 28 H ALA 28 11.740 -1.421 -1.207
209 HA ALA 28 HA ALA 28 9.549 0.068 -0.461
210 HB1 ALA 28 1HB ALA 28 9.982 1.468 -2.311
211 HB2 ALA 28 2HB ALA 28 10.699 0.150 -3.238
212 HB3 ALA 28 3HB ALA 28 11.543 0.801 -1.833
213 H CYS 29 H CYS 29 9.772 -2.366 -3.000
214 HA CYS 29 HA CYS 29 8.226 -3.453 -4.229
215 HB2 CYS 29 2HB CYS 29 6.444 -4.245 -3.078
216 HB3 CYS 29 1HB CYS 29 7.266 -3.499 -1.721
217 H LYS 30 H LYS 30 6.925 -3.098 -5.968
218 HA LYS 30 HA LYS 30 6.832 -0.638 -7.153
219 HB2 LYS 30 2HB LYS 30 6.384 -2.829 -8.262
220 HB3 LYS 30 1HB LYS 30 4.771 -2.802 -7.566
221 HG2 LYS 30 2HG LYS 30 4.380 -0.644 -8.766
222 HG3 LYS 30 1HG LYS 30 5.926 -0.894 -9.583
223 HD2 LYS 30 2HD LYS 30 4.673 -1.943 -11.130
224 HD3 LYS 30 1HD LYS 30 4.725 -3.292 -9.995
225 HE2 LYS 30 2HE LYS 30 2.628 -2.275 -8.956
226 HE3 LYS 30 1HE LYS 30 2.536 -1.274 -10.405
227 HZ1 LYS 30 3HZ LYS 30 2.796 -3.624 -11.542
228 HZ2 LYS 30 1HZ LYS 30 1.284 -3.024 -11.075
229 HZ3 LYS 30 2HZ LYS 30 2.089 -4.144 -10.096
230 H ASN 31 H ASN 31 4.545 -1.977 -4.881
231 HA ASN 31 HA ASN 31 2.562 0.062 -5.306
232 HB2 ASN 31 2HB ASN 31 2.738 -1.682 -2.861
233 HB3 ASN 31 1HB ASN 31 1.306 -0.990 -3.614
234 HD21 ASN 31 1HD2 ASN 31 0.143 -2.291 -4.827
235 HD22 ASN 31 2HD2 ASN 31 0.683 -3.766 -5.547
236 H CYS 32 H CYS 32 1.805 1.430 -3.490
237 HA CYS 32 HA CYS 32 3.595 3.347 -2.758
238 HB2 CYS 32 2HB CYS 32 0.904 2.726 -2.196
239 HB3 CYS 32 1HB CYS 32 1.666 3.080 -0.651
240 H ALA 33 H ALA 33 2.568 0.617 -0.710
241 HA ALA 33 HA ALA 33 5.079 0.104 0.377
242 HB1 ALA 33 1HB ALA 33 5.400 1.568 2.014
243 HB2 ALA 33 2HB ALA 33 3.818 1.204 2.705
244 HB3 ALA 33 3HB ALA 33 3.974 2.447 1.462
Start of MODEL 12
1 H1 ALA 1 1HT ALA 1 -21.499 8.395 2.448
2 H2 ALA 1 2HT ALA 1 -21.601 9.237 3.940
3 H3 ALA 1 3HT ALA 1 -20.291 9.533 2.873
4 HA ALA 1 HA ALA 1 -23.082 10.349 2.688
5 HB1 ALA 1 2HB ALA 1 -21.620 12.383 1.754
6 HB2 ALA 1 3HB ALA 1 -20.408 11.607 2.773
7 HB3 ALA 1 1HB ALA 1 -21.938 12.138 3.471
8 H ASP 2 H ASP 2 -20.230 10.668 0.584
9 HA ASP 2 HA ASP 2 -21.968 10.042 -1.707
10 HB2 ASP 2 2HB ASP 2 -20.967 12.316 -1.688
11 HB3 ASP 2 1HB ASP 2 -19.365 11.584 -1.694
12 H ARG 3 H ARG 3 -21.433 8.439 -3.105
13 HA ARG 3 HA ARG 3 -19.744 6.369 -2.266
14 HB2 ARG 3 2HB ARG 3 -21.225 7.012 -4.765
15 HB3 ARG 3 1HB ARG 3 -19.969 5.786 -4.861
16 HG2 ARG 3 2HG ARG 3 -21.072 4.534 -3.062
17 HG3 ARG 3 1HG ARG 3 -22.348 5.752 -3.017
18 HD2 ARG 3 2HD ARG 3 -21.637 3.986 -5.356
19 HD3 ARG 3 1HD ARG 3 -23.056 3.828 -4.320
20 HE ARG 3 HE ARG 3 -23.284 6.341 -5.275
21 HH11 ARG 3 1HH1 ARG 3 -22.771 3.255 -6.823
22 HH12 ARG 3 2HH1 ARG 3 -23.585 3.711 -8.282
23 HH21 ARG 3 1HH2 ARG 3 -24.353 6.942 -7.195
24 HH22 ARG 3 2HH2 ARG 3 -24.482 5.804 -8.494
25 H GLY 4 H GLY 4 -17.604 6.527 -2.071
26 HA2 GLY 4 2HA GLY 4 -15.878 6.782 -4.240
27 HA3 GLY 4 1HA GLY 4 -16.005 8.372 -3.506
28 H TRP 5 H TRP 5 -13.883 6.127 -3.695
29 HA TRP 5 HA TRP 5 -12.856 6.567 -1.019
30 HB2 TRP 5 2HB TRP 5 -14.280 4.291 -1.350
31 HB3 TRP 5 1HB TRP 5 -12.689 3.731 -1.849
32 HD1 TRP 5 HD TRP 5 -10.797 3.571 0.018
33 HE1 TRP 5 1HE TRP 5 -10.897 3.581 2.589
34 HE3 TRP 5 3HE TRP 5 -15.565 5.311 0.640
35 HZ2 TRP 5 2HZ TRP 5 -12.751 4.238 4.614
36 HZ3 TRP 5 3HZ TRP 5 -16.425 5.601 2.927
37 HH2 TRP 5 HH TRP 5 -15.047 5.074 4.872
38 H ILE 6 H ILE 6 -10.600 5.594 -0.822
39 HA ILE 6 HA ILE 6 -9.241 5.605 -3.434
40 HB ILE 6 HB ILE 6 -8.919 7.783 -2.346
41 HG12 ILE 6 2HG1 ILE 6 -6.284 6.383 -2.081
42 HG13 ILE 6 1HG1 ILE 6 -7.081 6.429 -3.650
43 HG21 ILE 6 1HG2 ILE 6 -8.327 8.079 -0.197
44 HG22 ILE 6 2HG2 ILE 6 -7.200 6.723 -0.211
45 HG23 ILE 6 3HG2 ILE 6 -8.927 6.432 -0.001
46 HD11 ILE 6 3HD1 ILE 6 -5.521 8.433 -2.365
47 HD12 ILE 6 1HD1 ILE 6 -7.153 9.048 -2.630
48 HD13 ILE 6 2HD1 ILE 6 -6.211 8.428 -3.987
49 H LYS 7 H LYS 7 -7.892 3.959 -3.759
50 HA LYS 7 HA LYS 7 -6.897 2.468 -1.423
51 HB2 LYS 7 2HB LYS 7 -8.337 1.479 -3.835
52 HB3 LYS 7 1HB LYS 7 -7.037 0.482 -3.198
53 HG2 LYS 7 2HG LYS 7 -8.662 1.306 -1.022
54 HG3 LYS 7 1HG LYS 7 -9.713 0.688 -2.298
55 HD2 LYS 7 2HD LYS 7 -8.897 -1.429 -2.132
56 HD3 LYS 7 1HD LYS 7 -7.280 -0.884 -1.681
57 HE2 LYS 7 2HE LYS 7 -8.047 -0.372 0.562
58 HE3 LYS 7 1HE LYS 7 -9.697 -0.810 0.124
59 HZ1 LYS 7 3HZ LYS 7 -8.734 -3.074 -0.424
60 HZ2 LYS 7 1HZ LYS 7 -8.839 -2.669 1.215
61 HZ3 LYS 7 2HZ LYS 7 -7.350 -2.584 0.417
62 H DBB 8 H DBB 8 -4.785 1.846 -1.489
63 HA DBB 8 HA DBB 8 -3.296 1.867 -3.952
64 HB3 DBB 8 HB DBB 8 -2.753 0.181 -2.307
65 HG1 DBB 8 3HG2 DBB 8 -0.368 0.506 -1.967
66 HG2 DBB 8 1HG2 DBB 8 -0.531 2.222 -2.342
67 HG3 DBB 8 2HG2 DBB 8 -0.827 1.015 -3.591
68 H LEU 9 H LEU 9 -3.347 3.815 -0.980
69 HA LEU 9 HA LEU 9 -2.292 6.062 -2.507
70 HB2 LEU 9 2HB LEU 9 -3.018 7.442 -0.660
71 HB3 LEU 9 1HB LEU 9 -4.317 6.388 -1.183
72 HG LEU 9 HG LEU 9 -2.708 5.273 0.999
73 HD11 LEU 9 1HD1 LEU 9 -2.551 7.539 1.740
74 HD12 LEU 9 2HD1 LEU 9 -3.790 6.737 2.707
75 HD13 LEU 9 3HD1 LEU 9 -4.259 7.825 1.400
76 HD21 LEU 9 3HD2 LEU 9 -4.668 4.119 0.495
77 HD22 LEU 9 1HD2 LEU 9 -5.611 5.599 0.319
78 HD23 LEU 9 2HD2 LEU 9 -5.107 5.062 1.921
79 H DBB 10 H DBB 10 -0.967 3.666 -0.596
80 HA DBB 10 HA DBB 10 1.136 5.466 0.393
81 HB3 DBB 10 HB DBB 10 2.877 4.193 -0.499
82 HG1 DBB 10 3HG2 DBB 10 2.621 1.989 -1.552
83 HG2 DBB 10 1HG2 DBB 10 0.922 1.969 -1.080
84 HG3 DBB 10 2HG2 DBB 10 2.180 1.943 0.154
85 H LYS 11 H LYS 11 1.296 5.326 2.495
86 HA LYS 11 HA LYS 11 1.918 3.063 3.947
87 HB2 LYS 11 2HB LYS 11 0.518 5.539 4.964
88 HB3 LYS 11 1HB LYS 11 1.394 4.374 5.948
89 HG2 LYS 11 2HG LYS 11 3.393 5.236 5.419
90 HG3 LYS 11 1HG LYS 11 2.943 5.515 3.735
91 HD2 LYS 11 2HD LYS 11 1.642 7.219 5.782
92 HD3 LYS 11 1HD LYS 11 3.357 7.503 5.471
93 HE2 LYS 11 2HE LYS 11 1.655 7.204 3.083
94 HE3 LYS 11 1HE LYS 11 1.355 8.644 4.058
95 HZ1 LYS 11 3HZ LYS 11 4.138 8.020 3.457
96 HZ2 LYS 11 1HZ LYS 11 3.358 9.519 3.544
97 HZ3 LYS 11 2HZ LYS 11 3.189 8.556 2.164
98 H ASP 12 H ASP 12 -1.187 4.064 2.831
99 HA ASP 12 HA ASP 12 -2.612 2.430 4.766
100 HB2 ASP 12 2HB ASP 12 -3.330 4.477 2.769
101 HB3 ASP 12 1HB ASP 12 -4.510 3.186 2.969
102 H CYS 13 H CYS 13 -0.740 1.195 2.812
103 HA CYS 13 HA CYS 13 -2.613 -0.790 1.769
104 HB2 CYS 13 2HB CYS 13 -0.336 0.232 0.079
105 HB3 CYS 13 1HB CYS 13 -1.661 -0.822 -0.409
106 HA PRO 14 HA PRO 14 0.556 -3.098 4.042
107 HB2 PRO 14 2HB PRO 14 -1.237 -5.348 3.363
108 HB3 PRO 14 1HB PRO 14 -0.640 -4.822 4.939
109 HG2 PRO 14 2HG PRO 14 -3.182 -4.421 4.220
110 HG3 PRO 14 1HG PRO 14 -2.295 -3.221 5.180
111 HD2 PRO 14 2HD PRO 14 -2.933 -3.212 2.255
112 HD3 PRO 14 1HD PRO 14 -2.970 -1.873 3.421
113 H ASN 15 H ASN 15 -0.511 -3.404 0.799
114 HA ASN 15 HA ASN 15 1.268 -5.578 0.144
115 HB2 ASN 15 2HB ASN 15 -1.062 -4.819 -0.935
116 HB3 ASN 15 1HB ASN 15 0.018 -3.899 -1.978
117 HD21 ASN 15 1HD2 ASN 15 -1.453 -5.704 -3.196
118 HD22 ASN 15 2HD2 ASN 15 -0.535 -7.102 -3.631
119 H VAL 16 H VAL 16 1.845 -4.189 -2.504
120 HA VAL 16 HA VAL 16 3.670 -3.186 -3.432
121 HB VAL 16 HB VAL 16 3.288 -1.159 -1.225
122 HG11 VAL 16 1HG1 VAL 16 4.006 0.247 -3.404
123 HG12 VAL 16 2HG1 VAL 16 4.873 -1.257 -3.709
124 HG13 VAL 16 3HG1 VAL 16 5.155 -0.365 -2.214
125 HG21 VAL 16 3HG2 VAL 16 2.088 -0.643 -3.855
126 HG22 VAL 16 1HG2 VAL 16 1.459 -0.329 -2.238
127 HG23 VAL 16 2HG2 VAL 16 1.330 -1.943 -2.936
128 H ILE 17 H ILE 17 4.937 -5.055 -2.578
129 HA ILE 17 HA ILE 17 7.016 -4.103 -0.733
130 HB ILE 17 HB ILE 17 7.240 -6.604 -0.124
131 HG12 ILE 17 2HG1 ILE 17 4.308 -6.794 -0.497
132 HG13 ILE 17 1HG1 ILE 17 5.288 -6.967 -1.949
133 HG21 ILE 17 1HG2 ILE 17 4.855 -5.092 0.919
134 HG22 ILE 17 2HG2 ILE 17 6.525 -4.761 1.379
135 HG23 ILE 17 3HG2 ILE 17 5.796 -6.318 1.768
136 HD11 ILE 17 3HD1 ILE 17 6.497 -8.570 0.010
137 HD12 ILE 17 1HD1 ILE 17 5.600 -9.091 -1.416
138 HD13 ILE 17 2HD1 ILE 17 4.762 -8.865 0.120
139 H SER 18 H SER 18 9.008 -4.225 -1.518
140 HA SER 18 HA SER 18 10.786 -4.713 -2.850
141 HB2 SER 18 2HB SER 18 10.206 -7.057 -2.047
142 HB3 SER 18 1HB SER 18 9.373 -7.279 -3.586
143 HG SER 18 HG SER 18 12.071 -6.444 -3.426
144 H SER 19 H SER 19 8.263 -3.458 -3.914
145 HA SER 19 HA SER 19 8.935 -3.751 -6.755
146 HB2 SER 19 2HB SER 19 6.231 -3.154 -6.761
147 HB3 SER 19 1HB SER 19 6.946 -4.730 -7.094
148 HG SER 19 HG SER 19 5.535 -3.865 -4.905
149 H ILE 20 H ILE 20 9.509 -1.774 -4.578
150 HA ILE 20 HA ILE 20 9.744 0.457 -4.338
151 HB ILE 20 HB ILE 20 9.979 0.021 -7.034
152 HG12 ILE 20 2HG1 ILE 20 10.323 2.510 -5.376
153 HG13 ILE 20 1HG1 ILE 20 11.540 1.311 -5.792
154 HG21 ILE 20 1HG2 ILE 20 8.748 1.523 -8.302
155 HG22 ILE 20 2HG2 ILE 20 8.247 2.456 -6.895
156 HG23 ILE 20 3HG2 ILE 20 7.547 0.867 -7.194
157 HD11 ILE 20 3HD1 ILE 20 10.715 3.681 -7.224
158 HD12 ILE 20 1HD1 ILE 20 10.659 2.242 -8.243
159 HD13 ILE 20 2HD1 ILE 20 12.156 2.681 -7.420
160 H CYS 21 H CYS 21 8.564 1.943 -3.355
161 HA CYS 21 HA CYS 21 5.719 1.601 -3.244
162 HB2 CYS 21 2HB CYS 21 6.782 2.058 -1.184
163 HB3 CYS 21 1HB CYS 21 7.654 3.429 -1.844
164 H ALA 22 H ALA 22 7.668 3.219 -5.364
165 HA ALA 22 HA ALA 22 7.161 4.585 -7.119
166 HB1 ALA 22 1HB ALA 22 4.407 5.075 -6.060
167 HB2 ALA 22 2HB ALA 22 4.825 3.527 -6.792
168 HB3 ALA 22 3HB ALA 22 4.968 5.013 -7.730
169 H GLY 23 H GLY 23 8.550 6.207 -6.572
170 HA2 GLY 23 2HA GLY 23 7.742 8.761 -6.254
171 HA3 GLY 23 1HA GLY 23 7.821 8.188 -4.595
172 H THR 24 H THR 24 9.754 8.417 -7.566
173 HA THR 24 HA THR 24 11.966 8.818 -7.914
174 HB THR 24 HB THR 24 12.222 9.870 -5.118
175 HG1 THR 24 1HG THR 24 10.588 11.119 -5.480
176 HG21 THR 24 3HG2 THR 24 14.178 10.014 -6.553
177 HG22 THR 24 1HG2 THR 24 13.537 11.614 -6.182
178 HG23 THR 24 2HG2 THR 24 13.235 10.888 -7.760
179 H ILE 25 H ILE 25 14.138 8.125 -7.331
180 HA ILE 25 HA ILE 25 14.055 5.667 -5.733
181 HB ILE 25 HB ILE 25 16.301 6.494 -7.558
182 HG12 ILE 25 2HG1 ILE 25 14.207 6.504 -8.856
183 HG13 ILE 25 1HG1 ILE 25 15.252 5.168 -9.331
184 HG21 ILE 25 1HG2 ILE 25 17.102 4.383 -7.307
185 HG22 ILE 25 2HG2 ILE 25 15.499 3.679 -7.096
186 HG23 ILE 25 3HG2 ILE 25 16.269 4.535 -5.760
187 HD11 ILE 25 3HD1 ILE 25 13.760 3.629 -8.704
188 HD12 ILE 25 1HD1 ILE 25 12.606 4.960 -8.777
189 HD13 ILE 25 2HD1 ILE 25 13.327 4.502 -7.234
190 H ILE 26 H ILE 26 14.171 8.168 -4.388
191 HA ILE 26 HA ILE 26 16.899 8.645 -3.589
192 HB ILE 26 HB ILE 26 15.254 10.481 -3.651
193 HG12 ILE 26 2HG1 ILE 26 16.048 10.124 -0.778
194 HG13 ILE 26 1HG1 ILE 26 17.279 10.307 -2.022
195 HG21 ILE 26 1HG2 ILE 26 13.488 10.662 -2.035
196 HG22 ILE 26 2HG2 ILE 26 13.986 9.159 -1.259
197 HG23 ILE 26 3HG2 ILE 26 13.316 9.129 -2.890
198 HD11 ILE 26 3HD1 ILE 26 15.276 12.329 -2.328
199 HD12 ILE 26 1HD1 ILE 26 17.006 12.499 -2.028
200 HD13 ILE 26 2HD1 ILE 26 15.891 12.321 -0.674
201 H THR 27 H THR 27 14.011 7.197 -2.118
202 HA THR 27 HA THR 27 15.710 5.583 -0.407
203 HB THR 27 HB THR 27 13.619 7.451 0.731
204 HG1 THR 27 1HG THR 27 16.439 7.364 0.903
205 HG21 THR 27 3HG2 THR 27 15.347 5.451 2.167
206 HG22 THR 27 1HG2 THR 27 13.603 5.338 1.939
207 HG23 THR 27 2HG2 THR 27 14.282 6.637 2.920
208 H ALA 28 H ALA 28 12.261 6.425 -0.195
209 HA ALA 28 HA ALA 28 11.635 3.636 -0.912
210 HB1 ALA 28 1HB ALA 28 10.712 5.309 1.340
211 HB2 ALA 28 2HB ALA 28 10.952 3.564 1.243
212 HB3 ALA 28 3HB ALA 28 9.499 4.292 0.561
213 H CYS 29 H CYS 29 9.778 6.634 -0.467
214 HA CYS 29 HA CYS 29 9.161 6.955 -3.205
215 HB2 CYS 29 2HB CYS 29 6.868 6.251 -3.235
216 HB3 CYS 29 1HB CYS 29 7.837 4.909 -2.670
217 H LYS 30 H LYS 30 8.986 9.095 -3.347
218 HA LYS 30 HA LYS 30 8.534 10.788 -1.148
219 HB2 LYS 30 2HB LYS 30 8.993 11.084 -4.016
220 HB3 LYS 30 1HB LYS 30 7.926 12.323 -3.369
221 HG2 LYS 30 2HG LYS 30 9.560 13.099 -1.869
222 HG3 LYS 30 1HG LYS 30 10.565 11.668 -2.101
223 HD2 LYS 30 2HD LYS 30 11.434 12.428 -4.061
224 HD3 LYS 30 1HD LYS 30 9.961 13.294 -4.503
225 HE2 LYS 30 2HE LYS 30 10.482 15.097 -3.046
226 HE3 LYS 30 1HE LYS 30 11.784 14.187 -2.279
227 HZ1 LYS 30 3HZ LYS 30 12.807 15.683 -3.751
228 HZ2 LYS 30 1HZ LYS 30 11.728 15.338 -5.008
229 HZ3 LYS 30 2HZ LYS 30 12.873 14.185 -4.536
230 H ASN 31 H ASN 31 6.377 9.263 -3.396
231 HA ASN 31 HA ASN 31 4.098 9.894 -1.827
232 HB2 ASN 31 2HB ASN 31 2.876 11.152 -3.644
233 HB3 ASN 31 1HB ASN 31 4.165 12.053 -2.850
234 HD21 ASN 31 1HD2 ASN 31 3.548 13.156 -5.056
235 HD22 ASN 31 2HD2 ASN 31 4.618 12.771 -6.357
236 H CYS 32 H CYS 32 2.902 8.122 -1.964
237 HA CYS 32 HA CYS 32 3.303 6.044 -3.755
238 HB2 CYS 32 2HB CYS 32 1.829 6.344 -1.501
239 HB3 CYS 32 1HB CYS 32 0.551 6.327 -2.710
240 H ALA 33 H ALA 33 0.798 8.568 -3.831
241 HA ALA 33 HA ALA 33 0.390 7.942 -6.681
242 HB1 ALA 33 1HB ALA 33 -1.849 9.201 -5.237
243 HB2 ALA 33 2HB ALA 33 -1.494 7.529 -4.804
244 HB3 ALA 33 3HB ALA 33 -1.857 7.948 -6.478
Start of MODEL 13
1 H1 ALA 1 1HT ALA 1 -22.005 3.542 -10.338
2 H2 ALA 1 2HT ALA 1 -20.929 3.501 -11.675
3 H3 ALA 1 3HT ALA 1 -20.583 4.497 -10.319
4 HA ALA 1 HA ALA 1 -20.627 2.373 -8.997
5 HB1 ALA 1 2HB ALA 1 -21.527 0.831 -10.507
6 HB2 ALA 1 3HB ALA 1 -19.806 0.451 -10.469
7 HB3 ALA 1 1HB ALA 1 -20.477 1.365 -11.819
8 H ASP 2 H ASP 2 -18.888 3.746 -11.720
9 HA ASP 2 HA ASP 2 -16.325 3.132 -10.442
10 HB2 ASP 2 2HB ASP 2 -16.955 4.247 -13.184
11 HB3 ASP 2 1HB ASP 2 -15.331 3.933 -12.576
12 H ARG 3 H ARG 3 -16.713 4.664 -8.713
13 HA ARG 3 HA ARG 3 -16.598 7.483 -9.496
14 HB2 ARG 3 2HB ARG 3 -17.901 6.096 -7.406
15 HB3 ARG 3 1HB ARG 3 -16.674 7.102 -6.649
16 HG2 ARG 3 2HG ARG 3 -17.675 8.942 -8.240
17 HG3 ARG 3 1HG ARG 3 -19.088 7.887 -8.195
18 HD2 ARG 3 2HD ARG 3 -19.607 8.524 -6.122
19 HD3 ARG 3 1HD ARG 3 -17.953 8.294 -5.558
20 HE ARG 3 HE ARG 3 -17.604 10.542 -5.782
21 HH11 ARG 3 1HH1 ARG 3 -20.479 9.674 -7.560
22 HH12 ARG 3 2HH1 ARG 3 -20.910 11.314 -7.909
23 HH21 ARG 3 1HH2 ARG 3 -18.170 12.700 -6.238
24 HH22 ARG 3 2HH2 ARG 3 -19.599 13.033 -7.158
25 H GLY 4 H GLY 4 -14.746 4.969 -7.936
26 HA2 GLY 4 2HA GLY 4 -12.274 5.399 -8.286
27 HA3 GLY 4 1HA GLY 4 -12.581 6.917 -7.455
28 H TRP 5 H TRP 5 -12.492 3.420 -7.096
29 HA TRP 5 HA TRP 5 -13.001 3.354 -4.314
30 HB2 TRP 5 2HB TRP 5 -11.897 1.070 -4.466
31 HB3 TRP 5 1HB TRP 5 -13.286 1.326 -5.515
32 HD1 TRP 5 HD TRP 5 -9.435 1.765 -5.891
33 HE1 TRP 5 1HE TRP 5 -8.768 0.866 -8.208
34 HE3 TRP 5 3HE TRP 5 -14.059 0.398 -7.592
35 HZ2 TRP 5 2HZ TRP 5 -10.034 -0.272 -10.460
36 HZ3 TRP 5 3HZ TRP 5 -14.244 -0.588 -9.839
37 HH2 TRP 5 HH TRP 5 -12.272 -0.915 -11.242
38 H ILE 6 H ILE 6 -10.170 4.057 -6.182
39 HA ILE 6 HA ILE 6 -8.101 4.800 -5.592
40 HB ILE 6 HB ILE 6 -9.121 4.875 -2.751
41 HG12 ILE 6 2HG1 ILE 6 -10.611 6.174 -4.160
42 HG13 ILE 6 1HG1 ILE 6 -9.609 7.265 -3.210
43 HG21 ILE 6 1HG2 ILE 6 -6.822 5.136 -2.624
44 HG22 ILE 6 2HG2 ILE 6 -7.394 6.802 -2.717
45 HG23 ILE 6 3HG2 ILE 6 -6.734 6.013 -4.151
46 HD11 ILE 6 3HD1 ILE 6 -9.793 8.107 -5.440
47 HD12 ILE 6 1HD1 ILE 6 -9.270 6.563 -6.114
48 HD13 ILE 6 2HD1 ILE 6 -8.141 7.547 -5.182
49 H LYS 7 H LYS 7 -6.403 3.504 -5.635
50 HA LYS 7 HA LYS 7 -6.147 1.409 -3.595
51 HB2 LYS 7 2HB LYS 7 -5.378 -0.193 -5.280
52 HB3 LYS 7 1HB LYS 7 -7.022 0.334 -5.612
53 HG2 LYS 7 2HG LYS 7 -6.229 1.829 -7.343
54 HG3 LYS 7 1HG LYS 7 -4.557 1.397 -6.976
55 HD2 LYS 7 2HD LYS 7 -6.348 -0.868 -7.545
56 HD3 LYS 7 1HD LYS 7 -6.050 0.218 -8.904
57 HE2 LYS 7 2HE LYS 7 -3.717 -0.140 -8.804
58 HE3 LYS 7 1HE LYS 7 -3.826 -0.902 -7.218
59 HZ1 LYS 7 3HZ LYS 7 -4.348 -2.022 -9.856
60 HZ2 LYS 7 1HZ LYS 7 -5.359 -2.541 -8.603
61 HZ3 LYS 7 2HZ LYS 7 -3.685 -2.752 -8.483
62 H DBB 8 H DBB 8 -4.149 1.218 -2.751
63 HA DBB 8 HA DBB 8 -1.768 1.897 -4.130
64 HB3 DBB 8 HB DBB 8 -1.775 0.233 -2.372
65 HG1 DBB 8 3HG2 DBB 8 0.265 1.754 -2.751
66 HG2 DBB 8 1HG2 DBB 8 0.191 0.786 -1.283
67 HG3 DBB 8 2HG2 DBB 8 -0.195 2.503 -1.222
68 H LEU 9 H LEU 9 -3.686 3.557 -1.652
69 HA LEU 9 HA LEU 9 -3.013 6.110 -2.627
70 HB2 LEU 9 2HB LEU 9 -4.381 6.981 -0.965
71 HB3 LEU 9 1HB LEU 9 -5.065 5.400 -1.287
72 HG LEU 9 HG LEU 9 -3.194 5.945 1.016
73 HD11 LEU 9 1HD1 LEU 9 -5.448 7.227 0.960
74 HD12 LEU 9 2HD1 LEU 9 -4.980 6.359 2.421
75 HD13 LEU 9 3HD1 LEU 9 -6.153 5.650 1.312
76 HD21 LEU 9 3HD2 LEU 9 -4.724 3.608 0.023
77 HD22 LEU 9 1HD2 LEU 9 -4.658 3.849 1.768
78 HD23 LEU 9 2HD2 LEU 9 -3.165 3.679 0.845
79 H DBB 10 H DBB 10 -1.477 4.082 -0.255
80 HA DBB 10 HA DBB 10 -0.089 6.062 1.174
81 HB3 DBB 10 HB DBB 10 0.976 6.678 -0.865
82 HG1 DBB 10 3HG2 DBB 10 3.356 6.033 -0.528
83 HG2 DBB 10 1HG2 DBB 10 2.833 4.918 0.733
84 HG3 DBB 10 2HG2 DBB 10 2.571 6.651 0.924
85 H LYS 11 H LYS 11 1.358 5.232 2.692
86 HA LYS 11 HA LYS 11 2.184 2.504 2.697
87 HB2 LYS 11 2HB LYS 11 2.130 4.368 5.068
88 HB3 LYS 11 1HB LYS 11 3.170 2.971 4.821
89 HG2 LYS 11 2HG LYS 11 3.823 4.462 2.665
90 HG3 LYS 11 1HG LYS 11 3.431 5.724 3.833
91 HD2 LYS 11 2HD LYS 11 5.250 5.297 5.086
92 HD3 LYS 11 1HD LYS 11 5.087 3.549 4.900
93 HE2 LYS 11 2HE LYS 11 6.452 3.481 3.100
94 HE3 LYS 11 1HE LYS 11 5.884 5.031 2.479
95 HZ1 LYS 11 3HZ LYS 11 7.939 5.658 3.126
96 HZ2 LYS 11 1HZ LYS 11 8.079 4.451 4.304
97 HZ3 LYS 11 2HZ LYS 11 7.186 5.849 4.628
98 H ASP 12 H ASP 12 -0.781 3.911 3.361
99 HA ASP 12 HA ASP 12 -1.534 2.040 5.454
100 HB2 ASP 12 2HB ASP 12 -2.343 4.600 4.863
101 HB3 ASP 12 1HB ASP 12 -3.673 3.634 4.232
102 H CYS 13 H CYS 13 -0.820 1.102 2.730
103 HA CYS 13 HA CYS 13 -3.377 -0.000 1.815
104 HB2 CYS 13 2HB CYS 13 -0.680 0.322 0.526
105 HB3 CYS 13 1HB CYS 13 -1.868 -0.799 -0.130
106 HA PRO 14 HA PRO 14 -1.821 -3.679 3.984
107 HB2 PRO 14 2HB PRO 14 -4.547 -4.654 3.922
108 HB3 PRO 14 1HB PRO 14 -3.595 -4.132 5.311
109 HG2 PRO 14 2HG PRO 14 -5.767 -2.772 4.360
110 HG3 PRO 14 1HG PRO 14 -4.434 -2.008 5.244
111 HD2 PRO 14 2HD PRO 14 -4.956 -2.092 2.297
112 HD3 PRO 14 1HD PRO 14 -4.368 -0.750 3.301
113 H ASN 15 H ASN 15 -1.225 -3.646 1.366
114 HA ASN 15 HA ASN 15 -1.970 -6.331 0.528
115 HB2 ASN 15 2HB ASN 15 -2.897 -3.892 -0.798
116 HB3 ASN 15 1HB ASN 15 -2.070 -4.999 -1.888
117 HD21 ASN 15 1HD2 ASN 15 -4.995 -4.148 -0.919
118 HD22 ASN 15 2HD2 ASN 15 -5.836 -5.651 -1.046
119 H VAL 16 H VAL 16 0.450 -4.858 1.494
120 HA VAL 16 HA VAL 16 2.282 -5.948 -0.461
121 HB VAL 16 HB VAL 16 2.527 -3.028 0.273
122 HG11 VAL 16 1HG1 VAL 16 4.456 -2.959 -0.961
123 HG12 VAL 16 2HG1 VAL 16 3.992 -4.329 -1.968
124 HG13 VAL 16 3HG1 VAL 16 4.554 -4.600 -0.319
125 HG21 VAL 16 3HG2 VAL 16 1.548 -4.309 -2.275
126 HG22 VAL 16 1HG2 VAL 16 1.996 -2.610 -2.124
127 HG23 VAL 16 2HG2 VAL 16 0.640 -3.250 -1.195
128 H ILE 17 H ILE 17 3.179 -7.300 1.023
129 HA ILE 17 HA ILE 17 4.545 -6.022 3.297
130 HB ILE 17 HB ILE 17 3.600 -8.853 3.474
131 HG12 ILE 17 2HG1 ILE 17 1.687 -7.705 4.895
132 HG13 ILE 17 1HG1 ILE 17 1.982 -6.361 3.795
133 HG21 ILE 17 1HG2 ILE 17 3.685 -7.034 5.795
134 HG22 ILE 17 2HG2 ILE 17 5.233 -7.437 5.054
135 HG23 ILE 17 3HG2 ILE 17 4.182 -8.719 5.653
136 HD11 ILE 17 3HD1 ILE 17 1.215 -7.521 1.964
137 HD12 ILE 17 1HD1 ILE 17 0.163 -8.129 3.243
138 HD13 ILE 17 2HD1 ILE 17 1.534 -9.094 2.693
139 H SER 18 H SER 18 6.627 -6.339 3.364
140 HA SER 18 HA SER 18 8.169 -8.524 3.112
141 HB2 SER 18 2HB SER 18 7.506 -9.124 0.928
142 HB3 SER 18 1HB SER 18 7.519 -7.453 0.368
143 HG SER 18 HG SER 18 9.444 -9.211 0.146
144 H SER 19 H SER 19 10.501 -7.957 2.197
145 HA SER 19 HA SER 19 11.532 -5.879 3.683
146 HB2 SER 19 2HB SER 19 13.552 -6.052 2.217
147 HB3 SER 19 1HB SER 19 12.977 -7.611 2.808
148 HG SER 19 HG SER 19 13.506 -7.438 0.488
149 H ILE 20 H ILE 20 11.460 -5.789 0.142
150 HA ILE 20 HA ILE 20 11.553 -2.938 0.109
151 HB ILE 20 HB ILE 20 12.425 -4.822 -1.603
152 HG12 ILE 20 2HG1 ILE 20 11.676 -1.957 -2.098
153 HG13 ILE 20 1HG1 ILE 20 13.249 -2.627 -1.700
154 HG21 ILE 20 1HG2 ILE 20 10.141 -3.774 -3.201
155 HG22 ILE 20 2HG2 ILE 20 9.900 -5.188 -2.177
156 HG23 ILE 20 3HG2 ILE 20 11.124 -5.216 -3.446
157 HD11 ILE 20 3HD1 ILE 20 13.385 -3.653 -3.901
158 HD12 ILE 20 1HD1 ILE 20 13.137 -1.911 -4.024
159 HD13 ILE 20 2HD1 ILE 20 11.791 -3.015 -4.303
160 H CYS 21 H CYS 21 9.870 -2.284 -1.983
161 HA CYS 21 HA CYS 21 7.203 -2.877 -0.901
162 HB2 CYS 21 2HB CYS 21 7.583 -0.259 -2.227
163 HB3 CYS 21 1HB CYS 21 6.578 -0.689 -0.851
164 H ALA 22 H ALA 22 9.123 -2.159 -3.733
165 HA ALA 22 HA ALA 22 6.974 -3.282 -5.394
166 HB1 ALA 22 1HB ALA 22 8.418 -0.703 -5.744
167 HB2 ALA 22 2HB ALA 22 6.722 -1.095 -6.024
168 HB3 ALA 22 3HB ALA 22 7.949 -1.614 -7.178
169 H GLY 23 H GLY 23 7.890 -3.773 -7.675
170 HA2 GLY 23 2HA GLY 23 10.120 -5.561 -7.280
171 HA3 GLY 23 1HA GLY 23 9.175 -5.379 -8.750
172 H THR 24 H THR 24 9.509 -2.632 -9.180
173 HA THR 24 HA THR 24 11.940 -2.582 -10.570
174 HB THR 24 HB THR 24 11.497 -0.158 -10.857
175 HG1 THR 24 1HG THR 24 9.262 -0.609 -9.177
176 HG21 THR 24 3HG2 THR 24 10.335 -1.704 -12.333
177 HG22 THR 24 1HG2 THR 24 9.336 -0.300 -11.957
178 HG23 THR 24 2HG2 THR 24 9.024 -1.843 -11.162
179 H ILE 25 H ILE 25 13.711 -0.991 -10.253
180 HA ILE 25 HA ILE 25 14.279 -0.518 -7.403
181 HB ILE 25 HB ILE 25 16.349 -1.414 -9.407
182 HG12 ILE 25 2HG1 ILE 25 14.695 -3.203 -8.944
183 HG13 ILE 25 1HG1 ILE 25 16.295 -3.591 -8.320
184 HG21 ILE 25 1HG2 ILE 25 16.418 -1.028 -6.419
185 HG22 ILE 25 2HG2 ILE 25 17.289 -0.095 -7.637
186 HG23 ILE 25 3HG2 ILE 25 17.705 -1.786 -7.358
187 HD11 ILE 25 3HD1 ILE 25 15.632 -3.171 -6.098
188 HD12 ILE 25 1HD1 ILE 25 14.351 -4.141 -6.825
189 HD13 ILE 25 2HD1 ILE 25 14.131 -2.403 -6.615
190 H ILE 26 H ILE 26 14.861 1.495 -6.942
191 HA ILE 26 HA ILE 26 16.172 3.144 -8.968
192 HB ILE 26 HB ILE 26 13.809 4.206 -7.428
193 HG12 ILE 26 2HG1 ILE 26 12.859 4.152 -9.921
194 HG13 ILE 26 1HG1 ILE 26 13.936 2.764 -10.032
195 HG21 ILE 26 1HG2 ILE 26 15.813 5.568 -8.595
196 HG22 ILE 26 2HG2 ILE 26 14.163 6.178 -8.466
197 HG23 ILE 26 3HG2 ILE 26 14.707 5.417 -9.961
198 HD11 ILE 26 3HD1 ILE 26 11.621 2.168 -9.443
199 HD12 ILE 26 1HD1 ILE 26 11.788 3.098 -7.955
200 HD13 ILE 26 2HD1 ILE 26 12.794 1.674 -8.223
201 H THR 27 H THR 27 14.931 3.008 -5.646
202 HA THR 27 HA THR 27 17.458 3.639 -4.515
203 HB THR 27 HB THR 27 16.919 5.893 -5.252
204 HG1 THR 27 1HG THR 27 17.904 5.665 -3.201
205 HG21 THR 27 3HG2 THR 27 14.462 5.676 -5.332
206 HG22 THR 27 1HG2 THR 27 15.013 7.121 -4.485
207 HG23 THR 27 2HG2 THR 27 14.433 5.731 -3.570
208 H ALA 28 H ALA 28 13.953 3.843 -3.968
209 HA ALA 28 HA ALA 28 14.345 2.399 -1.436
210 HB1 ALA 28 1HB ALA 28 13.242 3.995 -0.353
211 HB2 ALA 28 2HB ALA 28 11.857 3.793 -1.427
212 HB3 ALA 28 3HB ALA 28 13.143 4.925 -1.848
213 H CYS 29 H CYS 29 11.617 3.244 -3.539
214 HA CYS 29 HA CYS 29 11.136 0.793 -4.686
215 HB2 CYS 29 2HB CYS 29 9.183 0.053 -3.227
216 HB3 CYS 29 1HB CYS 29 10.797 -0.256 -2.606
217 H LYS 30 H LYS 30 9.773 1.211 -6.302
218 HA LYS 30 HA LYS 30 8.517 3.663 -6.666
219 HB2 LYS 30 2HB LYS 30 8.972 1.473 -8.231
220 HB3 LYS 30 1HB LYS 30 7.227 1.395 -8.028
221 HG2 LYS 30 2HG LYS 30 7.007 3.660 -8.886
222 HG3 LYS 30 1HG LYS 30 8.761 3.778 -9.050
223 HD2 LYS 30 2HD LYS 30 7.553 1.444 -10.364
224 HD3 LYS 30 1HD LYS 30 7.068 3.004 -11.031
225 HE2 LYS 30 2HE LYS 30 9.949 2.334 -10.518
226 HE3 LYS 30 1HE LYS 30 9.147 1.868 -12.017
227 HZ1 LYS 30 3HZ LYS 30 8.885 4.650 -11.177
228 HZ2 LYS 30 1HZ LYS 30 9.039 3.997 -12.732
229 HZ3 LYS 30 2HZ LYS 30 10.401 4.162 -11.743
230 H ASN 31 H ASN 31 7.444 0.840 -4.974
231 HA ASN 31 HA ASN 31 4.659 1.418 -4.973
232 HB2 ASN 31 2HB ASN 31 6.237 -0.702 -4.148
233 HB3 ASN 31 1HB ASN 31 5.615 -0.049 -2.638
234 HD21 ASN 31 1HD2 ASN 31 4.829 -1.600 -5.630
235 HD22 ASN 31 2HD2 ASN 31 3.197 -2.002 -5.232
236 H CYS 32 H CYS 32 3.559 1.626 -2.737
237 HA CYS 32 HA CYS 32 4.260 4.208 -1.728
238 HB2 CYS 32 2HB CYS 32 2.041 2.304 -1.498
239 HB3 CYS 32 1HB CYS 32 2.314 3.269 -0.052
240 H ALA 33 H ALA 33 4.149 0.935 -0.345
241 HA ALA 33 HA ALA 33 6.392 1.445 1.347
242 HB1 ALA 33 1HB ALA 33 3.774 1.035 2.778
243 HB2 ALA 33 2HB ALA 33 4.526 2.614 2.557
244 HB3 ALA 33 3HB ALA 33 5.355 1.365 3.486
Start of MODEL 14
1 H1 ALA 1 1HT ALA 1 -3.618 0.379 -12.785
2 H2 ALA 1 2HT ALA 1 -3.163 2.004 -13.099
3 H3 ALA 1 3HT ALA 1 -3.385 0.905 -14.400
4 HA ALA 1 HA ALA 1 -5.264 2.170 -14.412
5 HB1 ALA 1 2HB ALA 1 -5.409 -0.489 -14.057
6 HB2 ALA 1 3HB ALA 1 -6.817 0.535 -14.339
7 HB3 ALA 1 1HB ALA 1 -6.392 0.054 -12.696
8 H ASP 2 H ASP 2 -6.537 3.666 -13.467
9 HA ASP 2 HA ASP 2 -6.558 3.801 -10.527
10 HB2 ASP 2 2HB ASP 2 -5.607 5.805 -12.467
11 HB3 ASP 2 1HB ASP 2 -6.699 6.437 -11.237
12 H ARG 3 H ARG 3 -8.641 2.877 -10.543
13 HA ARG 3 HA ARG 3 -10.746 4.810 -11.092
14 HB2 ARG 3 2HB ARG 3 -10.697 2.031 -12.274
15 HB3 ARG 3 1HB ARG 3 -12.141 3.031 -12.193
16 HG2 ARG 3 2HG ARG 3 -11.231 4.630 -13.680
17 HG3 ARG 3 1HG ARG 3 -9.621 3.918 -13.567
18 HD2 ARG 3 2HD ARG 3 -11.194 1.814 -14.406
19 HD3 ARG 3 1HD ARG 3 -11.871 3.196 -15.266
20 HE ARG 3 HE ARG 3 -9.007 3.049 -15.405
21 HH11 ARG 3 1HH1 ARG 3 -11.994 1.954 -16.838
22 HH12 ARG 3 2HH1 ARG 3 -11.280 1.632 -18.384
23 HH21 ARG 3 1HH2 ARG 3 -8.066 2.625 -17.436
24 HH22 ARG 3 2HH2 ARG 3 -9.051 2.013 -18.723
25 H GLY 4 H GLY 4 -12.833 4.156 -10.120
26 HA2 GLY 4 2HA GLY 4 -14.126 3.112 -8.494
27 HA3 GLY 4 1HA GLY 4 -12.788 2.019 -8.172
28 H TRP 5 H TRP 5 -13.081 2.251 -5.928
29 HA TRP 5 HA TRP 5 -12.874 4.849 -4.700
30 HB2 TRP 5 2HB TRP 5 -12.986 3.622 -2.581
31 HB3 TRP 5 1HB TRP 5 -14.250 3.085 -3.682
32 HD1 TRP 5 HD TRP 5 -11.075 1.885 -1.951
33 HE1 TRP 5 1HE TRP 5 -10.898 -0.669 -2.215
34 HE3 TRP 5 3HE TRP 5 -14.908 1.143 -5.252
35 HZ2 TRP 5 2HZ TRP 5 -12.211 -2.726 -3.636
36 HZ3 TRP 5 3HZ TRP 5 -15.381 -1.147 -6.014
37 HH2 TRP 5 HH TRP 5 -14.060 -3.042 -5.223
38 H ILE 6 H ILE 6 -11.254 5.021 -2.793
39 HA ILE 6 HA ILE 6 -8.635 4.946 -3.925
40 HB ILE 6 HB ILE 6 -7.920 5.751 -1.642
41 HG12 ILE 6 2HG1 ILE 6 -10.689 6.400 -0.904
42 HG13 ILE 6 1HG1 ILE 6 -10.310 4.683 -0.811
43 HG21 ILE 6 1HG2 ILE 6 -9.538 7.879 -1.944
44 HG22 ILE 6 2HG2 ILE 6 -9.761 7.096 -3.508
45 HG23 ILE 6 3HG2 ILE 6 -8.144 7.555 -2.975
46 HD11 ILE 6 3HD1 ILE 6 -8.819 4.967 0.891
47 HD12 ILE 6 1HD1 ILE 6 -9.952 6.273 1.238
48 HD13 ILE 6 2HD1 ILE 6 -8.428 6.621 0.423
49 H LYS 7 H LYS 7 -7.283 3.285 -3.933
50 HA LYS 7 HA LYS 7 -7.008 1.579 -1.616
51 HB2 LYS 7 2HB LYS 7 -7.383 -0.513 -2.839
52 HB3 LYS 7 1HB LYS 7 -8.837 0.474 -2.803
53 HG2 LYS 7 2HG LYS 7 -7.686 1.288 -5.130
54 HG3 LYS 7 1HG LYS 7 -7.218 -0.412 -5.070
55 HD2 LYS 7 2HD LYS 7 -9.362 -1.152 -5.274
56 HD3 LYS 7 1HD LYS 7 -10.037 0.243 -4.428
57 HE2 LYS 7 2HE LYS 7 -10.743 0.525 -6.639
58 HE3 LYS 7 1HE LYS 7 -9.345 1.590 -6.497
59 HZ1 LYS 7 3HZ LYS 7 -8.131 0.329 -7.897
60 HZ2 LYS 7 1HZ LYS 7 -9.650 -0.142 -8.474
61 HZ3 LYS 7 2HZ LYS 7 -8.815 -1.130 -7.385
62 H DBB 8 H DBB 8 -4.974 2.840 -1.859
63 HA DBB 8 HA DBB 8 -3.231 2.016 -4.029
64 HB3 DBB 8 HB DBB 8 -3.089 0.226 -2.290
65 HG1 DBB 8 3HG2 DBB 8 -0.630 0.172 -2.152
66 HG2 DBB 8 1HG2 DBB 8 -0.578 1.840 -2.724
67 HG3 DBB 8 2HG2 DBB 8 -1.201 0.568 -3.773
68 H LEU 9 H LEU 9 -3.508 3.764 -0.947
69 HA LEU 9 HA LEU 9 -2.527 6.168 -2.096
70 HB2 LEU 9 2HB LEU 9 -2.783 5.597 0.844
71 HB3 LEU 9 1HB LEU 9 -2.854 7.154 0.040
72 HG LEU 9 HG LEU 9 -4.939 5.879 -1.150
73 HD11 LEU 9 1HD1 LEU 9 -4.314 4.107 0.811
74 HD12 LEU 9 2HD1 LEU 9 -5.922 4.306 0.112
75 HD13 LEU 9 3HD1 LEU 9 -5.511 5.116 1.623
76 HD21 LEU 9 3HD2 LEU 9 -5.050 8.106 -0.245
77 HD22 LEU 9 1HD2 LEU 9 -4.927 7.487 1.402
78 HD23 LEU 9 2HD2 LEU 9 -6.366 7.150 0.439
79 H DBB 10 H DBB 10 -1.072 3.714 -0.043
80 HA DBB 10 HA DBB 10 1.426 5.229 0.027
81 HB3 DBB 10 HB DBB 10 2.759 3.441 -0.870
82 HG1 DBB 10 3HG2 DBB 10 1.768 1.368 -1.751
83 HG2 DBB 10 1HG2 DBB 10 0.231 1.827 -1.031
84 HG3 DBB 10 2HG2 DBB 10 1.607 1.463 0.000
85 H LYS 11 H LYS 11 0.609 5.439 2.256
86 HA LYS 11 HA LYS 11 1.862 3.476 3.939
87 HB2 LYS 11 2HB LYS 11 1.343 4.980 5.770
88 HB3 LYS 11 1HB LYS 11 2.017 5.886 4.421
89 HG2 LYS 11 2HG LYS 11 -0.030 6.858 3.891
90 HG3 LYS 11 1HG LYS 11 -0.943 5.648 4.794
91 HD2 LYS 11 2HD LYS 11 -0.924 7.758 5.997
92 HD3 LYS 11 1HD LYS 11 -0.019 6.535 6.892
93 HE2 LYS 11 2HE LYS 11 1.920 7.668 5.320
94 HE3 LYS 11 1HE LYS 11 0.889 9.048 5.696
95 HZ1 LYS 11 3HZ LYS 11 1.947 7.193 7.756
96 HZ2 LYS 11 1HZ LYS 11 1.185 8.683 8.005
97 HZ3 LYS 11 2HZ LYS 11 2.725 8.627 7.309
98 H ASP 12 H ASP 12 -1.266 3.853 2.673
99 HA ASP 12 HA ASP 12 -2.443 2.274 4.856
100 HB2 ASP 12 2HB ASP 12 -3.438 4.535 3.937
101 HB3 ASP 12 1HB ASP 12 -4.103 3.488 2.688
102 H CYS 13 H CYS 13 -0.738 1.210 2.659
103 HA CYS 13 HA CYS 13 -2.671 -0.766 1.657
104 HB2 CYS 13 2HB CYS 13 -0.347 0.224 0.009
105 HB3 CYS 13 1HB CYS 13 -1.678 -0.804 -0.509
106 HA PRO 14 HA PRO 14 0.510 -3.056 4.028
107 HB2 PRO 14 2HB PRO 14 -1.540 -5.161 3.605
108 HB3 PRO 14 1HB PRO 14 -0.711 -4.682 5.090
109 HG2 PRO 14 2HG PRO 14 -3.256 -4.012 4.675
110 HG3 PRO 14 1HG PRO 14 -2.132 -2.887 5.462
111 HD2 PRO 14 2HD PRO 14 -3.165 -2.886 2.655
112 HD3 PRO 14 1HD PRO 14 -2.855 -1.517 3.745
113 H ASN 15 H ASN 15 -1.024 -3.647 0.990
114 HA ASN 15 HA ASN 15 0.329 -5.968 0.185
115 HB2 ASN 15 2HB ASN 15 -1.601 -4.396 -0.921
116 HB3 ASN 15 1HB ASN 15 -0.218 -3.982 -1.928
117 HD21 ASN 15 1HD2 ASN 15 -1.098 -4.969 -3.733
118 HD22 ASN 15 2HD2 ASN 15 -1.191 -6.686 -3.894
119 H VAL 16 H VAL 16 1.232 -2.576 0.098
120 HA VAL 16 HA VAL 16 3.926 -3.377 -0.792
121 HB VAL 16 HB VAL 16 2.656 -0.710 -1.405
122 HG11 VAL 16 1HG1 VAL 16 5.060 -0.642 -1.371
123 HG12 VAL 16 2HG1 VAL 16 4.510 -0.569 -3.046
124 HG13 VAL 16 3HG1 VAL 16 5.155 -2.076 -2.393
125 HG21 VAL 16 3HG2 VAL 16 2.852 -1.915 -3.815
126 HG22 VAL 16 1HG2 VAL 16 1.380 -1.888 -2.844
127 HG23 VAL 16 2HG2 VAL 16 2.441 -3.296 -2.798
128 H ILE 17 H ILE 17 5.237 -3.208 0.911
129 HA ILE 17 HA ILE 17 4.890 -0.911 2.719
130 HB ILE 17 HB ILE 17 6.518 -3.147 3.718
131 HG12 ILE 17 2HG1 ILE 17 4.233 -4.286 4.400
132 HG13 ILE 17 1HG1 ILE 17 3.661 -3.536 2.912
133 HG21 ILE 17 1HG2 ILE 17 5.823 -2.394 5.727
134 HG22 ILE 17 2HG2 ILE 17 4.163 -2.151 5.184
135 HG23 ILE 17 3HG2 ILE 17 5.401 -0.954 4.800
136 HD11 ILE 17 3HD1 ILE 17 4.696 -5.043 1.639
137 HD12 ILE 17 1HD1 ILE 17 4.858 -5.988 3.120
138 HD13 ILE 17 2HD1 ILE 17 6.183 -4.953 2.585
139 H SER 18 H SER 18 7.326 -1.149 4.061
140 HA SER 18 HA SER 18 9.075 0.119 2.169
141 HB2 SER 18 2HB SER 18 10.605 0.309 4.176
142 HB3 SER 18 1HB SER 18 9.019 1.055 4.368
143 HG SER 18 HG SER 18 8.391 -0.595 5.667
144 H SER 19 H SER 19 8.498 -3.071 2.820
145 HA SER 19 HA SER 19 11.276 -3.931 2.565
146 HB2 SER 19 2HB SER 19 9.528 -6.159 2.473
147 HB3 SER 19 1HB SER 19 10.569 -5.652 3.806
148 HG SER 19 HG SER 19 8.567 -5.616 4.656
149 H ILE 20 H ILE 20 9.497 -2.662 0.386
150 HA ILE 20 HA ILE 20 9.189 -2.844 -1.840
151 HB ILE 20 HB ILE 20 11.503 -4.738 -1.505
152 HG12 ILE 20 2HG1 ILE 20 11.682 -2.278 -0.867
153 HG13 ILE 20 1HG1 ILE 20 12.861 -2.891 -2.006
154 HG21 ILE 20 1HG2 ILE 20 11.878 -4.248 -3.964
155 HG22 ILE 20 2HG2 ILE 20 10.210 -3.677 -4.001
156 HG23 ILE 20 3HG2 ILE 20 10.561 -5.351 -3.570
157 HD11 ILE 20 3HD1 ILE 20 10.432 -1.259 -2.673
158 HD12 ILE 20 1HD1 ILE 20 11.565 -1.921 -3.852
159 HD13 ILE 20 2HD1 ILE 20 12.108 -0.710 -2.691
160 H CYS 21 H CYS 21 8.422 -4.181 -3.555
161 HA CYS 21 HA CYS 21 6.741 -6.307 -2.580
162 HB2 CYS 21 2HB CYS 21 5.584 -6.137 -4.652
163 HB3 CYS 21 1HB CYS 21 5.937 -4.503 -4.125
164 H ALA 22 H ALA 22 9.357 -5.928 -4.896
165 HA ALA 22 HA ALA 22 10.866 -7.417 -5.738
166 HB1 ALA 22 1HB ALA 22 9.746 -9.614 -4.045
167 HB2 ALA 22 2HB ALA 22 10.670 -8.303 -3.311
168 HB3 ALA 22 3HB ALA 22 11.413 -9.323 -4.543
169 H GLY 23 H GLY 23 8.608 -6.974 -7.206
170 HA2 GLY 23 2HA GLY 23 7.240 -7.843 -8.841
171 HA3 GLY 23 1HA GLY 23 8.603 -8.911 -9.126
172 H THR 24 H THR 24 5.409 -8.616 -7.873
173 HA THR 24 HA THR 24 5.329 -11.527 -7.521
174 HB THR 24 HB THR 24 5.402 -10.753 -5.277
175 HG1 THR 24 1HG THR 24 3.634 -12.218 -5.869
176 HG21 THR 24 3HG2 THR 24 3.968 -9.062 -4.345
177 HG22 THR 24 1HG2 THR 24 3.208 -8.799 -5.913
178 HG23 THR 24 2HG2 THR 24 4.904 -8.382 -5.675
179 H ILE 25 H ILE 25 4.190 -12.033 -9.305
180 HA ILE 25 HA ILE 25 2.370 -12.334 -10.640
181 HB ILE 25 HB ILE 25 0.810 -10.689 -8.646
182 HG12 ILE 25 2HG1 ILE 25 0.930 -13.694 -8.686
183 HG13 ILE 25 1HG1 ILE 25 2.110 -12.759 -7.773
184 HG21 ILE 25 1HG2 ILE 25 -1.123 -11.834 -9.525
185 HG22 ILE 25 2HG2 ILE 25 -0.106 -12.797 -10.596
186 HG23 ILE 25 3HG2 ILE 25 -0.251 -11.057 -10.847
187 HD11 ILE 25 3HD1 ILE 25 -0.867 -12.838 -7.382
188 HD12 ILE 25 1HD1 ILE 25 0.195 -11.680 -6.582
189 HD13 ILE 25 2HD1 ILE 25 0.387 -13.407 -6.280
190 H ILE 26 H ILE 26 1.715 -9.094 -9.296
191 HA ILE 26 HA ILE 26 2.545 -7.776 -11.709
192 HB ILE 26 HB ILE 26 0.253 -6.715 -12.052
193 HG12 ILE 26 2HG1 ILE 26 -1.209 -9.065 -11.253
194 HG13 ILE 26 1HG1 ILE 26 -0.378 -8.381 -9.859
195 HG21 ILE 26 1HG2 ILE 26 1.469 -8.655 -13.366
196 HG22 ILE 26 2HG2 ILE 26 -0.173 -8.152 -13.771
197 HG23 ILE 26 3HG2 ILE 26 0.091 -9.590 -12.783
198 HD11 ILE 26 3HD1 ILE 26 -1.784 -6.441 -11.555
199 HD12 ILE 26 1HD1 ILE 26 -1.702 -6.575 -9.799
200 HD13 ILE 26 2HD1 ILE 26 -2.807 -7.603 -10.710
201 H THR 27 H THR 27 3.833 -6.861 -9.942
202 HA THR 27 HA THR 27 2.439 -4.579 -8.734
203 HB THR 27 HB THR 27 4.385 -5.257 -6.862
204 HG1 THR 27 1HG THR 27 2.936 -7.585 -7.575
205 HG21 THR 27 3HG2 THR 27 2.548 -5.854 -5.391
206 HG22 THR 27 1HG2 THR 27 1.454 -5.929 -6.773
207 HG23 THR 27 2HG2 THR 27 2.182 -4.391 -6.307
208 H ALA 28 H ALA 28 3.554 -2.698 -8.764
209 HA ALA 28 HA ALA 28 6.152 -2.732 -10.114
210 HB1 ALA 28 1HB ALA 28 5.746 -0.293 -10.417
211 HB2 ALA 28 2HB ALA 28 4.179 -0.504 -9.634
212 HB3 ALA 28 3HB ALA 28 4.520 -1.320 -11.160
213 H CYS 29 H CYS 29 4.562 -1.616 -7.185
214 HA CYS 29 HA CYS 29 5.352 -0.562 -5.307
215 HB2 CYS 29 2HB CYS 29 7.035 -1.906 -4.140
216 HB3 CYS 29 1HB CYS 29 5.805 -2.914 -4.891
217 H LYS 30 H LYS 30 5.986 1.225 -6.973
218 HA LYS 30 HA LYS 30 8.871 1.746 -6.757
219 HB2 LYS 30 2HB LYS 30 6.892 2.238 -8.868
220 HB3 LYS 30 1HB LYS 30 7.941 3.609 -8.534
221 HG2 LYS 30 2HG LYS 30 9.666 2.659 -9.563
222 HG3 LYS 30 1HG LYS 30 9.431 1.132 -8.710
223 HD2 LYS 30 2HD LYS 30 9.142 0.622 -10.990
224 HD3 LYS 30 1HD LYS 30 7.510 0.704 -10.322
225 HE2 LYS 30 2HE LYS 30 7.210 2.927 -11.212
226 HE3 LYS 30 1HE LYS 30 8.886 2.973 -11.759
227 HZ1 LYS 30 3HZ LYS 30 8.458 1.563 -13.489
228 HZ2 LYS 30 1HZ LYS 30 6.973 2.371 -13.400
229 HZ3 LYS 30 2HZ LYS 30 7.137 0.825 -12.732
230 H ASN 31 H ASN 31 5.997 3.769 -7.139
231 HA ASN 31 HA ASN 31 6.497 5.100 -4.613
232 HB2 ASN 31 2HB ASN 31 6.635 7.344 -5.607
233 HB3 ASN 31 1HB ASN 31 7.968 6.327 -6.147
234 HD21 ASN 31 1HD2 ASN 31 6.526 8.715 -7.294
235 HD22 ASN 31 2HD2 ASN 31 6.141 8.241 -8.910
236 H CYS 32 H CYS 32 4.546 5.066 -3.711
237 HA CYS 32 HA CYS 32 2.125 4.745 -5.056
238 HB2 CYS 32 2HB CYS 32 2.974 5.240 -2.317
239 HB3 CYS 32 1HB CYS 32 1.456 6.043 -2.685
240 H ALA 33 H ALA 33 3.920 7.630 -4.266
241 HA ALA 33 HA ALA 33 3.660 9.813 -4.852
242 HB1 ALA 33 1HB ALA 33 3.456 9.010 -7.109
243 HB2 ALA 33 2HB ALA 33 2.286 10.306 -6.859
244 HB3 ALA 33 3HB ALA 33 1.753 8.625 -6.862
Start of MODEL 15
1 H1 ALA 1 1HT ALA 1 -21.282 0.760 -11.224
2 H2 ALA 1 2HT ALA 1 -20.698 -0.852 -11.317
3 H3 ALA 1 3HT ALA 1 -21.162 -0.020 -12.745
4 HA ALA 1 HA ALA 1 -18.729 -0.243 -12.233
5 HB1 ALA 1 2HB ALA 1 -18.342 2.110 -13.040
6 HB2 ALA 1 3HB ALA 1 -20.082 2.359 -12.898
7 HB3 ALA 1 1HB ALA 1 -19.454 1.145 -14.010
8 H ASP 2 H ASP 2 -17.199 0.048 -10.747
9 HA ASP 2 HA ASP 2 -17.842 1.701 -8.407
10 HB2 ASP 2 2HB ASP 2 -16.216 -0.755 -8.834
11 HB3 ASP 2 1HB ASP 2 -15.673 0.366 -7.589
12 H ARG 3 H ARG 3 -17.250 3.422 -10.188
13 HA ARG 3 HA ARG 3 -14.374 3.871 -10.345
14 HB2 ARG 3 2HB ARG 3 -15.913 4.184 -12.325
15 HB3 ARG 3 1HB ARG 3 -16.581 5.582 -11.493
16 HG2 ARG 3 2HG ARG 3 -15.037 6.616 -12.797
17 HG3 ARG 3 1HG ARG 3 -14.042 6.289 -11.376
18 HD2 ARG 3 2HD ARG 3 -13.217 4.237 -12.450
19 HD3 ARG 3 1HD ARG 3 -14.186 4.606 -13.876
20 HE ARG 3 HE ARG 3 -12.396 6.725 -13.161
21 HH11 ARG 3 1HH1 ARG 3 -12.660 3.688 -14.861
22 HH12 ARG 3 2HH1 ARG 3 -11.336 4.026 -15.925
23 HH21 ARG 3 1HH2 ARG 3 -10.655 7.171 -14.560
24 HH22 ARG 3 2HH2 ARG 3 -10.198 6.003 -15.754
25 H GLY 4 H GLY 4 -15.097 4.012 -7.767
26 HA2 GLY 4 2HA GLY 4 -14.646 6.831 -7.173
27 HA3 GLY 4 1HA GLY 4 -16.096 6.114 -6.487
28 H TRP 5 H TRP 5 -12.976 4.527 -6.921
29 HA TRP 5 HA TRP 5 -12.658 4.484 -3.994
30 HB2 TRP 5 2HB TRP 5 -13.171 2.275 -5.681
31 HB3 TRP 5 1HB TRP 5 -11.483 2.149 -5.199
32 HD1 TRP 5 HD TRP 5 -11.302 2.713 -2.292
33 HE1 TRP 5 1HE TRP 5 -12.646 1.458 -0.492
34 HE3 TRP 5 3HE TRP 5 -15.109 0.941 -5.208
35 HZ2 TRP 5 2HZ TRP 5 -15.008 -0.080 -0.329
36 HZ3 TRP 5 3HZ TRP 5 -16.871 -0.414 -4.153
37 HH2 TRP 5 HH TRP 5 -16.820 -0.913 -1.764
38 H ILE 6 H ILE 6 -10.245 3.124 -3.896
39 HA ILE 6 HA ILE 6 -8.311 4.267 -5.664
40 HB ILE 6 HB ILE 6 -8.797 6.246 -4.285
41 HG12 ILE 6 2HG1 ILE 6 -6.406 6.562 -3.403
42 HG13 ILE 6 1HG1 ILE 6 -6.103 4.927 -3.981
43 HG21 ILE 6 1HG2 ILE 6 -9.506 5.063 -2.255
44 HG22 ILE 6 2HG2 ILE 6 -8.282 6.286 -1.916
45 HG23 ILE 6 3HG2 ILE 6 -7.834 4.581 -1.963
46 HD11 ILE 6 3HD1 ILE 6 -6.440 5.544 -6.218
47 HD12 ILE 6 1HD1 ILE 6 -5.459 6.831 -5.516
48 HD13 ILE 6 2HD1 ILE 6 -7.187 7.077 -5.766
49 H LYS 7 H LYS 7 -6.616 2.928 -5.737
50 HA LYS 7 HA LYS 7 -6.138 1.178 -3.414
51 HB2 LYS 7 2HB LYS 7 -5.329 -0.521 -5.066
52 HB3 LYS 7 1HB LYS 7 -7.050 -0.176 -5.161
53 HG2 LYS 7 2HG LYS 7 -5.379 1.468 -6.920
54 HG3 LYS 7 1HG LYS 7 -5.363 -0.259 -7.281
55 HD2 LYS 7 2HD LYS 7 -7.808 -0.262 -7.377
56 HD3 LYS 7 1HD LYS 7 -7.825 1.464 -7.010
57 HE2 LYS 7 2HE LYS 7 -8.015 1.495 -9.303
58 HE3 LYS 7 1HE LYS 7 -6.268 1.628 -9.102
59 HZ1 LYS 7 3HZ LYS 7 -6.854 -0.003 -10.788
60 HZ2 LYS 7 1HZ LYS 7 -7.751 -0.886 -9.656
61 HZ3 LYS 7 2HZ LYS 7 -6.074 -0.745 -9.484
62 H DBB 8 H DBB 8 -4.236 1.448 -2.492
63 HA DBB 8 HA DBB 8 -1.871 1.939 -4.099
64 HB3 DBB 8 HB DBB 8 -1.772 0.247 -2.343
65 HG1 DBB 8 3HG2 DBB 8 0.193 0.931 -1.134
66 HG2 DBB 8 1HG2 DBB 8 -0.138 2.627 -1.474
67 HG3 DBB 8 2HG2 DBB 8 0.307 1.538 -2.785
68 H LEU 9 H LEU 9 -3.671 3.541 -1.494
69 HA LEU 9 HA LEU 9 -2.989 6.116 -2.464
70 HB2 LEU 9 2HB LEU 9 -4.350 6.988 -0.774
71 HB3 LEU 9 1HB LEU 9 -5.090 5.466 -1.224
72 HG LEU 9 HG LEU 9 -5.259 5.540 1.107
73 HD11 LEU 9 1HD1 LEU 9 -2.767 3.955 0.522
74 HD12 LEU 9 2HD1 LEU 9 -4.425 3.393 0.322
75 HD13 LEU 9 3HD1 LEU 9 -3.808 3.765 1.931
76 HD21 LEU 9 3HD2 LEU 9 -3.801 6.494 2.570
77 HD22 LEU 9 1HD2 LEU 9 -3.371 7.399 1.118
78 HD23 LEU 9 2HD2 LEU 9 -2.381 6.033 1.632
79 H DBB 10 H DBB 10 -1.153 3.994 -0.631
80 HA DBB 10 HA DBB 10 0.131 6.028 0.983
81 HB3 DBB 10 HB DBB 10 1.150 6.304 -1.253
82 HG1 DBB 10 3HG2 DBB 10 3.559 5.933 -0.567
83 HG2 DBB 10 1HG2 DBB 10 2.929 5.267 0.940
84 HG3 DBB 10 2HG2 DBB 10 2.587 6.940 0.506
85 H LYS 11 H LYS 11 1.350 5.228 2.653
86 HA LYS 11 HA LYS 11 2.144 2.490 2.829
87 HB2 LYS 11 2HB LYS 11 1.964 4.526 5.052
88 HB3 LYS 11 1HB LYS 11 2.908 3.043 5.057
89 HG2 LYS 11 2HG LYS 11 4.625 4.057 4.095
90 HG3 LYS 11 1HG LYS 11 3.606 4.659 2.787
91 HD2 LYS 11 2HD LYS 11 4.288 6.645 3.694
92 HD3 LYS 11 1HD LYS 11 2.831 6.365 4.650
93 HE2 LYS 11 2HE LYS 11 3.988 6.047 6.550
94 HE3 LYS 11 1HE LYS 11 5.261 5.134 5.739
95 HZ1 LYS 11 3HZ LYS 11 4.977 8.091 5.756
96 HZ2 LYS 11 1HZ LYS 11 6.182 7.231 4.937
97 HZ3 LYS 11 2HZ LYS 11 6.119 7.196 6.627
98 H ASP 12 H ASP 12 -0.831 3.967 3.202
99 HA ASP 12 HA ASP 12 -1.793 2.245 5.326
100 HB2 ASP 12 2HB ASP 12 -2.686 4.680 4.030
101 HB3 ASP 12 1HB ASP 12 -3.993 3.504 4.142
102 H CYS 13 H CYS 13 -0.823 1.079 2.781
103 HA CYS 13 HA CYS 13 -3.303 -0.185 1.828
104 HB2 CYS 13 2HB CYS 13 -0.620 0.171 0.483
105 HB3 CYS 13 1HB CYS 13 -1.909 -0.834 -0.169
106 HA PRO 14 HA PRO 14 -1.178 -3.550 4.141
107 HB2 PRO 14 2HB PRO 14 -3.855 -4.498 4.755
108 HB3 PRO 14 1HB PRO 14 -2.600 -3.933 5.859
109 HG2 PRO 14 2HG PRO 14 -4.905 -2.562 5.392
110 HG3 PRO 14 1HG PRO 14 -3.382 -1.781 5.852
111 HD2 PRO 14 2HD PRO 14 -4.639 -2.042 3.145
112 HD3 PRO 14 1HD PRO 14 -3.805 -0.655 3.873
113 H ASN 15 H ASN 15 -3.245 -3.380 1.470
114 HA ASN 15 HA ASN 15 -3.342 -6.254 1.047
115 HB2 ASN 15 2HB ASN 15 -5.195 -4.418 0.536
116 HB3 ASN 15 1HB ASN 15 -4.326 -4.302 -0.990
117 HD21 ASN 15 1HD2 ASN 15 -5.996 -5.145 -2.191
118 HD22 ASN 15 2HD2 ASN 15 -6.462 -6.806 -2.111
119 H VAL 16 H VAL 16 -3.287 -5.584 -1.969
120 HA VAL 16 HA VAL 16 -1.789 -5.625 -3.679
121 HB VAL 16 HB VAL 16 0.218 -4.403 -1.786
122 HG11 VAL 16 1HG1 VAL 16 0.092 -4.912 -4.680
123 HG12 VAL 16 2HG1 VAL 16 1.486 -4.753 -3.614
124 HG13 VAL 16 3HG1 VAL 16 0.669 -3.311 -4.218
125 HG21 VAL 16 3HG2 VAL 16 -0.729 -2.294 -3.175
126 HG22 VAL 16 1HG2 VAL 16 -1.315 -2.759 -1.578
127 HG23 VAL 16 2HG2 VAL 16 -2.200 -3.255 -3.021
128 H ILE 17 H ILE 17 -2.063 -7.860 -1.899
129 HA ILE 17 HA ILE 17 0.611 -8.961 -1.597
130 HB ILE 17 HB ILE 17 -2.013 -10.335 -1.035
131 HG12 ILE 17 2HG1 ILE 17 -0.284 -8.935 1.001
132 HG13 ILE 17 1HG1 ILE 17 -1.622 -8.121 0.197
133 HG21 ILE 17 1HG2 ILE 17 -0.373 -11.468 0.669
134 HG22 ILE 17 2HG2 ILE 17 0.850 -10.934 -0.484
135 HG23 ILE 17 3HG2 ILE 17 -0.448 -12.006 -1.010
136 HD11 ILE 17 3HD1 ILE 17 -3.010 -10.147 1.035
137 HD12 ILE 17 1HD1 ILE 17 -2.590 -8.848 2.152
138 HD13 ILE 17 2HD1 ILE 17 -1.675 -10.355 2.169
139 H SER 18 H SER 18 -1.098 -8.525 -4.226
140 HA SER 18 HA SER 18 -1.235 -11.188 -5.304
141 HB2 SER 18 2HB SER 18 -2.011 -10.149 -7.326
142 HB3 SER 18 1HB SER 18 -2.766 -9.303 -5.974
143 HG SER 18 HG SER 18 -1.123 -8.342 -7.888
144 H SER 19 H SER 19 -0.264 -10.981 -7.837
145 HA SER 19 HA SER 19 2.458 -11.553 -7.517
146 HB2 SER 19 2HB SER 19 1.511 -10.678 -10.198
147 HB3 SER 19 1HB SER 19 2.443 -12.104 -9.743
148 HG SER 19 HG SER 19 0.484 -12.960 -8.859
149 H ILE 20 H ILE 20 0.795 -8.604 -8.425
150 HA ILE 20 HA ILE 20 3.175 -7.063 -7.871
151 HB ILE 20 HB ILE 20 1.896 -6.922 -10.608
152 HG12 ILE 20 2HG1 ILE 20 4.635 -7.856 -9.729
153 HG13 ILE 20 1HG1 ILE 20 3.352 -8.857 -10.392
154 HG21 ILE 20 1HG2 ILE 20 2.523 -4.723 -10.000
155 HG22 ILE 20 2HG2 ILE 20 3.800 -5.327 -11.055
156 HG23 ILE 20 3HG2 ILE 20 4.050 -5.272 -9.309
157 HD11 ILE 20 3HD1 ILE 20 3.523 -7.709 -12.520
158 HD12 ILE 20 1HD1 ILE 20 5.082 -8.379 -12.042
159 HD13 ILE 20 2HD1 ILE 20 4.771 -6.651 -11.862
160 H CYS 21 H CYS 21 2.741 -4.760 -7.870
161 HA CYS 21 HA CYS 21 0.730 -3.888 -6.327
162 HB2 CYS 21 2HB CYS 21 2.381 -2.569 -8.396
163 HB3 CYS 21 1HB CYS 21 0.949 -1.693 -7.886
164 H ALA 22 H ALA 22 0.530 -4.426 -9.771
165 HA ALA 22 HA ALA 22 -1.233 -4.609 -11.202
166 HB1 ALA 22 1HB ALA 22 -3.415 -5.165 -10.325
167 HB2 ALA 22 2HB ALA 22 -2.942 -4.616 -8.716
168 HB3 ALA 22 3HB ALA 22 -2.176 -6.039 -9.424
169 H GLY 23 H GLY 23 -0.788 -2.503 -12.010
170 HA2 GLY 23 2HA GLY 23 -2.679 -0.794 -12.591
171 HA3 GLY 23 1HA GLY 23 -2.410 -0.317 -10.921
172 H THR 24 H THR 24 -1.299 -0.108 -14.159
173 HA THR 24 HA THR 24 0.413 1.008 -15.171
174 HB THR 24 HB THR 24 0.996 3.220 -13.920
175 HG1 THR 24 1HG THR 24 0.244 3.082 -11.944
176 HG21 THR 24 3HG2 THR 24 -1.073 4.285 -14.605
177 HG22 THR 24 1HG2 THR 24 -1.840 2.708 -14.782
178 HG23 THR 24 2HG2 THR 24 -0.502 3.159 -15.839
179 H ILE 25 H ILE 25 1.155 -1.068 -13.226
180 HA ILE 25 HA ILE 25 3.301 -0.385 -11.608
181 HB ILE 25 HB ILE 25 3.981 -2.681 -11.660
182 HG12 ILE 25 2HG1 ILE 25 3.917 -2.948 -14.145
183 HG13 ILE 25 1HG1 ILE 25 3.199 -4.297 -13.275
184 HG21 ILE 25 1HG2 ILE 25 1.467 -3.699 -11.689
185 HG22 ILE 25 2HG2 ILE 25 1.140 -1.976 -11.500
186 HG23 ILE 25 3HG2 ILE 25 2.175 -2.809 -10.341
187 HD11 ILE 25 3HD1 ILE 25 0.965 -3.157 -13.681
188 HD12 ILE 25 1HD1 ILE 25 1.767 -3.889 -15.071
189 HD13 ILE 25 2HD1 ILE 25 1.828 -2.143 -14.837
190 H ILE 26 H ILE 26 5.626 -1.058 -11.991
191 HA ILE 26 HA ILE 26 6.464 -0.067 -14.631
192 HB ILE 26 HB ILE 26 8.702 0.314 -13.415
193 HG12 ILE 26 2HG1 ILE 26 7.017 0.562 -10.952
194 HG13 ILE 26 1HG1 ILE 26 7.698 -1.007 -11.370
195 HG21 ILE 26 1HG2 ILE 26 7.851 2.498 -12.483
196 HG22 ILE 26 2HG2 ILE 26 6.230 1.949 -12.907
197 HG23 ILE 26 3HG2 ILE 26 7.444 2.168 -14.168
198 HD11 ILE 26 3HD1 ILE 26 9.200 1.538 -10.821
199 HD12 ILE 26 1HD1 ILE 26 9.943 0.053 -11.416
200 HD13 ILE 26 2HD1 ILE 26 9.163 0.076 -9.835
201 H THR 27 H THR 27 6.995 -2.573 -12.227
202 HA THR 27 HA THR 27 7.612 -4.575 -14.039
203 HB THR 27 HB THR 27 9.640 -3.426 -14.597
204 HG1 THR 27 1HG THR 27 11.179 -4.977 -13.887
205 HG21 THR 27 3HG2 THR 27 11.323 -2.758 -13.065
206 HG22 THR 27 1HG2 THR 27 10.449 -3.464 -11.706
207 HG23 THR 27 2HG2 THR 27 9.801 -2.045 -12.529
208 H ALA 28 H ALA 28 8.700 -3.379 -10.862
209 HA ALA 28 HA ALA 28 7.944 -5.995 -9.738
210 HB1 ALA 28 1HB ALA 28 10.070 -6.179 -9.108
211 HB2 ALA 28 2HB ALA 28 9.743 -4.890 -7.947
212 HB3 ALA 28 3HB ALA 28 10.417 -4.503 -9.531
213 H CYS 29 H CYS 29 6.838 -2.971 -9.938
214 HA CYS 29 HA CYS 29 5.410 -1.701 -8.710
215 HB2 CYS 29 2HB CYS 29 3.895 -3.335 -8.265
216 HB3 CYS 29 1HB CYS 29 5.100 -4.435 -7.628
217 H LYS 30 H LYS 30 6.628 -0.095 -7.905
218 HA LYS 30 HA LYS 30 8.641 -0.339 -5.978
219 HB2 LYS 30 2HB LYS 30 7.701 1.672 -7.596
220 HB3 LYS 30 1HB LYS 30 7.264 2.248 -5.994
221 HG2 LYS 30 2HG LYS 30 9.812 1.469 -5.558
222 HG3 LYS 30 1HG LYS 30 9.903 1.964 -7.249
223 HD2 LYS 30 2HD LYS 30 9.226 4.157 -6.760
224 HD3 LYS 30 1HD LYS 30 8.614 3.703 -5.168
225 HE2 LYS 30 2HE LYS 30 11.186 2.996 -4.877
226 HE3 LYS 30 1HE LYS 30 11.374 4.302 -6.047
227 HZ1 LYS 30 3HZ LYS 30 9.629 4.855 -3.790
228 HZ2 LYS 30 1HZ LYS 30 10.770 5.849 -4.547
229 HZ3 LYS 30 2HZ LYS 30 11.272 4.689 -3.423
230 H ASN 31 H ASN 31 5.198 -0.090 -5.644
231 HA ASN 31 HA ASN 31 3.822 -0.189 -3.831
232 HB2 ASN 31 2HB ASN 31 5.768 -1.934 -3.239
233 HB3 ASN 31 1HB ASN 31 6.044 -0.776 -1.941
234 HD21 ASN 31 1HD2 ASN 31 4.815 -3.599 -2.288
235 HD22 ASN 31 2HD2 ASN 31 3.391 -3.517 -1.314
236 H CYS 32 H CYS 32 3.726 0.648 -1.392
237 HA CYS 32 HA CYS 32 4.684 3.422 -1.509
238 HB2 CYS 32 2HB CYS 32 2.251 2.110 -0.423
239 HB3 CYS 32 1HB CYS 32 2.869 3.498 0.464
240 H ALA 33 H ALA 33 6.405 1.291 -0.661
241 HA ALA 33 HA ALA 33 6.584 1.632 2.239
242 HB1 ALA 33 1HB ALA 33 6.898 -0.590 0.755
243 HB2 ALA 33 2HB ALA 33 7.660 -0.350 2.327
244 HB3 ALA 33 3HB ALA 33 8.572 -0.044 0.849
Start of MODEL 16
1 H1 ALA 1 1HT ALA 1 -10.795 6.039 -6.551
2 H2 ALA 1 2HT ALA 1 -10.463 6.851 -5.076
3 H3 ALA 1 3HT ALA 1 -11.498 7.572 -6.240
4 HA ALA 1 HA ALA 1 -12.096 4.972 -5.042
5 HB1 ALA 1 2HB ALA 1 -12.038 6.132 -3.077
6 HB2 ALA 1 3HB ALA 1 -13.676 6.522 -3.601
7 HB3 ALA 1 1HB ALA 1 -12.370 7.681 -3.851
8 H ASP 2 H ASP 2 -12.426 5.982 -7.723
9 HA ASP 2 HA ASP 2 -15.265 6.652 -7.881
10 HB2 ASP 2 2HB ASP 2 -13.174 7.594 -9.313
11 HB3 ASP 2 1HB ASP 2 -13.699 6.283 -10.366
12 H ARG 3 H ARG 3 -13.012 4.079 -8.664
13 HA ARG 3 HA ARG 3 -15.141 2.481 -9.865
14 HB2 ARG 3 2HB ARG 3 -12.912 2.574 -10.951
15 HB3 ARG 3 1HB ARG 3 -12.209 1.832 -9.519
16 HG2 ARG 3 2HG ARG 3 -13.822 -0.095 -9.924
17 HG3 ARG 3 1HG ARG 3 -14.094 0.622 -11.514
18 HD2 ARG 3 2HD ARG 3 -11.424 -0.233 -10.401
19 HD3 ARG 3 1HD ARG 3 -12.380 -1.133 -11.576
20 HE ARG 3 HE ARG 3 -12.064 1.276 -12.760
21 HH11 ARG 3 1HH1 ARG 3 -9.824 -0.992 -11.338
22 HH12 ARG 3 2HH1 ARG 3 -8.519 -0.552 -12.387
23 HH21 ARG 3 1HH2 ARG 3 -10.348 1.855 -14.141
24 HH22 ARG 3 2HH2 ARG 3 -8.816 1.065 -13.978
25 H GLY 4 H GLY 4 -13.229 2.706 -6.961
26 HA2 GLY 4 2HA GLY 4 -14.921 1.364 -5.295
27 HA3 GLY 4 1HA GLY 4 -13.924 0.094 -5.987
28 H TRP 5 H TRP 5 -13.510 3.329 -4.544
29 HA TRP 5 HA TRP 5 -12.056 4.118 -2.986
30 HB2 TRP 5 2HB TRP 5 -12.978 2.016 -1.787
31 HB3 TRP 5 1HB TRP 5 -11.422 1.292 -2.176
32 HD1 TRP 5 HD TRP 5 -9.424 3.561 -1.522
33 HE1 TRP 5 1HE TRP 5 -9.115 4.416 0.885
34 HE3 TRP 5 3HE TRP 5 -13.877 2.023 0.464
35 HZ2 TRP 5 2HZ TRP 5 -10.566 4.436 3.306
36 HZ3 TRP 5 3HZ TRP 5 -14.337 2.498 2.834
37 HH2 TRP 5 HH TRP 5 -12.715 3.680 4.224
38 H ILE 6 H ILE 6 -10.103 4.926 -3.358
39 HA ILE 6 HA ILE 6 -8.400 3.999 -5.357
40 HB ILE 6 HB ILE 6 -8.433 6.316 -4.431
41 HG12 ILE 6 2HG1 ILE 6 -6.583 5.369 -5.872
42 HG13 ILE 6 1HG1 ILE 6 -6.141 6.762 -4.894
43 HG21 ILE 6 1HG2 ILE 6 -8.381 5.552 -2.033
44 HG22 ILE 6 2HG2 ILE 6 -7.309 6.894 -2.436
45 HG23 ILE 6 3HG2 ILE 6 -6.654 5.268 -2.248
46 HD11 ILE 6 3HD1 ILE 6 -4.331 5.368 -4.635
47 HD12 ILE 6 1HD1 ILE 6 -5.322 3.910 -4.603
48 HD13 ILE 6 2HD1 ILE 6 -5.292 4.988 -3.208
49 H LYS 7 H LYS 7 -7.162 2.255 -5.422
50 HA LYS 7 HA LYS 7 -6.296 1.014 -2.916
51 HB2 LYS 7 2HB LYS 7 -5.762 -0.946 -4.329
52 HB3 LYS 7 1HB LYS 7 -7.446 -0.458 -4.455
53 HG2 LYS 7 2HG LYS 7 -6.110 0.931 -6.481
54 HG3 LYS 7 1HG LYS 7 -5.457 -0.708 -6.509
55 HD2 LYS 7 2HD LYS 7 -7.816 -1.554 -6.515
56 HD3 LYS 7 1HD LYS 7 -8.350 0.116 -6.714
57 HE2 LYS 7 2HE LYS 7 -7.661 0.221 -8.875
58 HE3 LYS 7 1HE LYS 7 -6.284 -0.845 -8.599
59 HZ1 LYS 7 3HZ LYS 7 -9.022 -1.502 -9.344
60 HZ2 LYS 7 1HZ LYS 7 -8.259 -2.566 -8.271
61 HZ3 LYS 7 2HZ LYS 7 -7.569 -2.251 -9.782
62 H DBB 8 H DBB 8 -4.409 1.768 -2.200
63 HA DBB 8 HA DBB 8 -2.183 1.942 -4.118
64 HB3 DBB 8 HB DBB 8 -1.970 0.203 -2.337
65 HG1 DBB 8 3HG2 DBB 8 0.248 0.699 -1.607
66 HG2 DBB 8 1HG2 DBB 8 0.010 2.427 -1.864
67 HG3 DBB 8 2HG2 DBB 8 0.081 1.333 -3.244
68 H LEU 9 H LEU 9 -3.576 3.477 -1.232
69 HA LEU 9 HA LEU 9 -2.792 6.070 -2.226
70 HB2 LEU 9 2HB LEU 9 -4.215 6.990 -0.613
71 HB3 LEU 9 1HB LEU 9 -5.015 5.525 -1.145
72 HG LEU 9 HG LEU 9 -3.337 5.582 1.353
73 HD11 LEU 9 1HD1 LEU 9 -5.667 5.739 2.467
74 HD12 LEU 9 2HD1 LEU 9 -6.160 6.477 0.943
75 HD13 LEU 9 3HD1 LEU 9 -4.880 7.214 1.906
76 HD21 LEU 9 3HD2 LEU 9 -5.044 3.736 1.901
77 HD22 LEU 9 1HD2 LEU 9 -3.767 3.372 0.739
78 HD23 LEU 9 2HD2 LEU 9 -5.395 3.746 0.173
79 H DBB 10 H DBB 10 -0.709 4.142 -1.179
80 HA DBB 10 HA DBB 10 0.493 5.998 0.761
81 HB3 DBB 10 HB DBB 10 2.665 5.305 -0.096
82 HG1 DBB 10 3HG2 DBB 10 1.270 3.795 -2.286
83 HG2 DBB 10 1HG2 DBB 10 1.863 2.983 -0.836
84 HG3 DBB 10 2HG2 DBB 10 2.988 3.836 -1.892
85 H LYS 11 H LYS 11 1.508 5.241 2.567
86 HA LYS 11 HA LYS 11 2.115 2.542 3.095
87 HB2 LYS 11 2HB LYS 11 2.262 3.359 5.503
88 HB3 LYS 11 1HB LYS 11 3.310 4.145 4.331
89 HG2 LYS 11 2HG LYS 11 2.277 6.137 4.536
90 HG3 LYS 11 1HG LYS 11 0.683 5.411 4.756
91 HD2 LYS 11 2HD LYS 11 2.558 4.897 6.951
92 HD3 LYS 11 1HD LYS 11 2.151 6.600 6.726
93 HE2 LYS 11 2HE LYS 11 -0.155 6.189 7.020
94 HE3 LYS 11 1HE LYS 11 0.057 4.446 6.857
95 HZ1 LYS 11 3HZ LYS 11 1.020 6.128 9.107
96 HZ2 LYS 11 1HZ LYS 11 1.313 4.469 8.944
97 HZ3 LYS 11 2HZ LYS 11 -0.268 5.032 9.155
98 H ASP 12 H ASP 12 -0.899 4.041 2.997
99 HA ASP 12 HA ASP 12 -2.105 2.444 5.092
100 HB2 ASP 12 2HB ASP 12 -3.122 4.506 3.160
101 HB3 ASP 12 1HB ASP 12 -4.247 3.488 4.054
102 H CYS 13 H CYS 13 -0.823 1.127 2.755
103 HA CYS 13 HA CYS 13 -3.169 -0.312 1.714
104 HB2 CYS 13 2HB CYS 13 -0.463 -0.032 0.397
105 HB3 CYS 13 1HB CYS 13 -1.890 -0.808 -0.285
106 HA PRO 14 HA PRO 14 -1.191 -3.547 4.201
107 HB2 PRO 14 2HB PRO 14 -3.623 -5.071 3.651
108 HB3 PRO 14 1HB PRO 14 -2.993 -4.494 5.195
109 HG2 PRO 14 2HG PRO 14 -5.218 -3.470 4.045
110 HG3 PRO 14 1HG PRO 14 -4.139 -2.510 5.071
111 HD2 PRO 14 2HD PRO 14 -4.346 -2.596 2.085
112 HD3 PRO 14 1HD PRO 14 -4.107 -1.201 3.161
113 H ASN 15 H ASN 15 -0.222 -3.361 1.676
114 HA ASN 15 HA ASN 15 0.054 -6.118 0.932
115 HB2 ASN 15 2HB ASN 15 -1.989 -4.882 -0.319
116 HB3 ASN 15 1HB ASN 15 -0.672 -4.404 -1.384
117 HD21 ASN 15 1HD2 ASN 15 -3.011 -6.600 -1.007
118 HD22 ASN 15 2HD2 ASN 15 -2.310 -7.949 -1.828
119 H VAL 16 H VAL 16 1.065 -5.252 -1.753
120 HA VAL 16 HA VAL 16 3.130 -4.839 -2.639
121 HB VAL 16 HB VAL 16 3.105 -2.406 -0.855
122 HG11 VAL 16 1HG1 VAL 16 4.015 -2.168 -3.620
123 HG12 VAL 16 2HG1 VAL 16 4.984 -3.277 -2.650
124 HG13 VAL 16 3HG1 VAL 16 4.765 -1.608 -2.125
125 HG21 VAL 16 3HG2 VAL 16 0.928 -2.597 -1.928
126 HG22 VAL 16 1HG2 VAL 16 1.704 -2.800 -3.498
127 HG23 VAL 16 2HG2 VAL 16 1.852 -1.271 -2.634
128 H ILE 17 H ILE 17 3.163 -6.527 -0.326
129 HA ILE 17 HA ILE 17 5.537 -5.715 1.165
130 HB ILE 17 HB ILE 17 3.967 -8.263 1.511
131 HG12 ILE 17 2HG1 ILE 17 3.582 -5.706 3.074
132 HG13 ILE 17 1HG1 ILE 17 2.561 -6.160 1.713
133 HG21 ILE 17 1HG2 ILE 17 4.899 -7.749 3.928
134 HG22 ILE 17 2HG2 ILE 17 6.116 -6.863 3.009
135 HG23 ILE 17 3HG2 ILE 17 5.874 -8.586 2.721
136 HD11 ILE 17 3HD1 ILE 17 2.928 -7.810 4.202
137 HD12 ILE 17 1HD1 ILE 17 1.807 -8.123 2.876
138 HD13 ILE 17 2HD1 ILE 17 1.582 -6.709 3.907
139 H SER 18 H SER 18 5.394 -6.713 -1.758
140 HA SER 18 HA SER 18 7.466 -8.787 -1.466
141 HB2 SER 18 2HB SER 18 6.736 -9.625 -3.705
142 HB3 SER 18 1HB SER 18 5.495 -9.781 -2.463
143 HG SER 18 HG SER 18 4.439 -8.020 -3.317
144 H SER 19 H SER 19 6.285 -6.641 -4.060
145 HA SER 19 HA SER 19 8.493 -4.947 -4.157
146 HB2 SER 19 2HB SER 19 9.185 -7.493 -5.076
147 HB3 SER 19 1HB SER 19 8.932 -6.547 -6.542
148 HG SER 19 HG SER 19 10.644 -5.899 -4.374
149 H ILE 20 H ILE 20 7.462 -3.241 -4.947
150 HA ILE 20 HA ILE 20 6.297 -1.882 -6.340
151 HB ILE 20 HB ILE 20 7.575 -3.696 -8.044
152 HG12 ILE 20 2HG1 ILE 20 6.122 -1.107 -8.586
153 HG13 ILE 20 1HG1 ILE 20 7.817 -1.302 -8.158
154 HG21 ILE 20 1HG2 ILE 20 4.736 -3.279 -8.971
155 HG22 ILE 20 2HG2 ILE 20 5.430 -4.813 -8.446
156 HG23 ILE 20 3HG2 ILE 20 6.040 -4.021 -9.899
157 HD11 ILE 20 3HD1 ILE 20 8.258 -2.383 -10.275
158 HD12 ILE 20 1HD1 ILE 20 7.499 -0.812 -10.536
159 HD13 ILE 20 2HD1 ILE 20 6.550 -2.291 -10.703
160 H CYS 21 H CYS 21 4.168 -1.430 -6.917
161 HA CYS 21 HA CYS 21 2.213 -3.141 -5.721
162 HB2 CYS 21 2HB CYS 21 1.508 -0.811 -7.469
163 HB3 CYS 21 1HB CYS 21 0.679 -1.419 -6.051
164 H ALA 22 H ALA 22 2.869 -4.957 -7.217
165 HA ALA 22 HA ALA 22 1.318 -4.822 -9.718
166 HB1 ALA 22 1HB ALA 22 2.799 -6.421 -10.683
167 HB2 ALA 22 2HB ALA 22 3.599 -6.699 -9.135
168 HB3 ALA 22 3HB ALA 22 3.783 -5.150 -9.958
169 H GLY 23 H GLY 23 -0.489 -5.306 -8.139
170 HA2 GLY 23 2HA GLY 23 -0.786 -8.230 -7.962
171 HA3 GLY 23 1HA GLY 23 -1.167 -7.228 -6.570
172 H THR 24 H THR 24 -1.935 -7.459 -10.040
173 HA THR 24 HA THR 24 -3.838 -6.943 -11.198
174 HB THR 24 HB THR 24 -4.344 -9.167 -10.264
175 HG1 THR 24 1HG THR 24 -5.907 -8.267 -11.581
176 HG21 THR 24 3HG2 THR 24 -4.343 -8.758 -7.903
177 HG22 THR 24 1HG2 THR 24 -5.928 -9.356 -8.388
178 HG23 THR 24 2HG2 THR 24 -5.697 -7.639 -8.056
179 H ILE 25 H ILE 25 -3.040 -4.754 -9.711
180 HA ILE 25 HA ILE 25 -5.626 -3.485 -9.214
181 HB ILE 25 HB ILE 25 -4.410 -2.226 -7.273
182 HG12 ILE 25 2HG1 ILE 25 -3.165 -4.668 -6.378
183 HG13 ILE 25 1HG1 ILE 25 -2.456 -4.165 -7.907
184 HG21 ILE 25 1HG2 ILE 25 -5.575 -4.992 -7.046
185 HG22 ILE 25 2HG2 ILE 25 -6.427 -3.451 -6.933
186 HG23 ILE 25 3HG2 ILE 25 -5.290 -3.927 -5.671
187 HD11 ILE 25 3HD1 ILE 25 -1.832 -3.228 -5.372
188 HD12 ILE 25 1HD1 ILE 25 -2.743 -1.922 -6.131
189 HD13 ILE 25 2HD1 ILE 25 -1.300 -2.563 -6.916
190 H ILE 26 H ILE 26 -2.107 -2.893 -9.296
191 HA ILE 26 HA ILE 26 -2.664 -0.412 -10.788
192 HB ILE 26 HB ILE 26 -0.203 -0.983 -9.138
193 HG12 ILE 26 2HG1 ILE 26 -2.512 0.828 -8.414
194 HG13 ILE 26 1HG1 ILE 26 -2.347 -0.817 -7.807
195 HG21 ILE 26 1HG2 ILE 26 -1.213 1.417 -10.629
196 HG22 ILE 26 2HG2 ILE 26 0.349 0.608 -10.765
197 HG23 ILE 26 3HG2 ILE 26 -0.031 1.559 -9.329
198 HD11 ILE 26 3HD1 ILE 26 0.055 0.761 -7.409
199 HD12 ILE 26 1HD1 ILE 26 -0.881 -0.196 -6.260
200 HD13 ILE 26 2HD1 ILE 26 -1.364 1.459 -6.629
201 H THR 27 H THR 27 -1.066 0.204 -12.398
202 HA THR 27 HA THR 27 -0.450 -1.898 -14.160
203 HB THR 27 HB THR 27 1.057 -0.007 -15.206
204 HG1 THR 27 1HG THR 27 0.616 2.000 -14.467
205 HG21 THR 27 3HG2 THR 27 -1.926 0.328 -15.009
206 HG22 THR 27 1HG2 THR 27 -1.072 -0.691 -16.168
207 HG23 THR 27 2HG2 THR 27 -0.872 1.061 -16.220
208 H ALA 28 H ALA 28 2.047 0.347 -13.021
209 HA ALA 28 HA ALA 28 3.781 -1.982 -12.507
210 HB1 ALA 28 1HB ALA 28 5.523 -1.046 -13.625
211 HB2 ALA 28 2HB ALA 28 5.013 0.604 -13.268
212 HB3 ALA 28 3HB ALA 28 4.198 -0.317 -14.532
213 H CYS 29 H CYS 29 2.804 1.231 -11.488
214 HA CYS 29 HA CYS 29 3.021 2.345 -9.521
215 HB2 CYS 29 2HB CYS 29 2.138 0.361 -8.470
216 HB3 CYS 29 1HB CYS 29 3.712 -0.423 -8.514
217 H LYS 30 H LYS 30 4.602 3.785 -9.457
218 HA LYS 30 HA LYS 30 7.384 2.857 -9.420
219 HB2 LYS 30 2HB LYS 30 6.320 4.635 -11.092
220 HB3 LYS 30 1HB LYS 30 6.711 5.732 -9.774
221 HG2 LYS 30 2HG LYS 30 8.678 5.889 -10.835
222 HG3 LYS 30 1HG LYS 30 9.036 4.388 -9.980
223 HD2 LYS 30 2HD LYS 30 7.646 4.193 -12.599
224 HD3 LYS 30 1HD LYS 30 9.357 4.631 -12.606
225 HE2 LYS 30 2HE LYS 30 8.305 2.255 -11.090
226 HE3 LYS 30 1HE LYS 30 8.797 2.152 -12.780
227 HZ1 LYS 30 3HZ LYS 30 10.988 2.509 -12.258
228 HZ2 LYS 30 1HZ LYS 30 10.485 1.629 -10.904
229 HZ3 LYS 30 2HZ LYS 30 10.644 3.310 -10.809
230 H ASN 31 H ASN 31 5.641 5.646 -8.110
231 HA ASN 31 HA ASN 31 6.706 5.075 -5.455
232 HB2 ASN 31 2HB ASN 31 7.070 7.764 -6.793
233 HB3 ASN 31 1HB ASN 31 7.557 7.340 -5.154
234 HD21 ASN 31 1HD2 ASN 31 9.309 5.940 -4.850
235 HD22 ASN 31 2HD2 ASN 31 10.477 5.670 -6.094
236 H CYS 32 H CYS 32 5.702 6.442 -3.770
237 HA CYS 32 HA CYS 32 2.893 6.909 -4.431
238 HB2 CYS 32 2HB CYS 32 3.836 5.486 -2.424
239 HB3 CYS 32 1HB CYS 32 3.935 7.058 -1.637
240 H ALA 33 H ALA 33 5.630 8.522 -2.856
241 HA ALA 33 HA ALA 33 4.136 11.042 -2.860
242 HB1 ALA 33 1HB ALA 33 6.859 10.669 -1.663
243 HB2 ALA 33 2HB ALA 33 5.406 10.138 -0.816
244 HB3 ALA 33 3HB ALA 33 5.608 11.839 -1.238
Start of MODEL 17
1 H1 ALA 1 1HT ALA 1 -14.167 -2.622 -9.800
2 H2 ALA 1 2HT ALA 1 -14.223 -4.290 -10.202
3 H3 ALA 1 3HT ALA 1 -14.544 -3.781 -8.594
4 HA ALA 1 HA ALA 1 -16.182 -3.558 -10.995
5 HB1 ALA 1 2HB ALA 1 -16.507 -4.582 -8.197
6 HB2 ALA 1 3HB ALA 1 -16.745 -5.427 -9.727
7 HB3 ALA 1 1HB ALA 1 -17.908 -4.210 -9.202
8 H ASP 2 H ASP 2 -15.818 -2.184 -7.727
9 HA ASP 2 HA ASP 2 -17.284 0.191 -8.676
10 HB2 ASP 2 2HB ASP 2 -18.186 -1.454 -6.735
11 HB3 ASP 2 1HB ASP 2 -17.215 -0.352 -5.764
12 H ARG 3 H ARG 3 -16.688 2.221 -7.651
13 HA ARG 3 HA ARG 3 -13.994 2.254 -6.487
14 HB2 ARG 3 2HB ARG 3 -14.940 3.798 -8.893
15 HB3 ARG 3 1HB ARG 3 -13.573 4.333 -7.926
16 HG2 ARG 3 2HG ARG 3 -12.670 1.937 -8.339
17 HG3 ARG 3 1HG ARG 3 -13.827 1.926 -9.672
18 HD2 ARG 3 2HD ARG 3 -11.684 2.653 -10.493
19 HD3 ARG 3 1HD ARG 3 -12.806 4.013 -10.520
20 HE ARG 3 HE ARG 3 -11.566 4.291 -8.136
21 HH11 ARG 3 1HH1 ARG 3 -10.392 3.885 -11.397
22 HH12 ARG 3 2HH1 ARG 3 -8.939 4.785 -11.120
23 HH21 ARG 3 1HH2 ARG 3 -9.655 5.476 -7.769
24 HH22 ARG 3 2HH2 ARG 3 -8.521 5.688 -9.059
25 H GLY 4 H GLY 4 -13.523 4.093 -5.200
26 HA2 GLY 4 2HA GLY 4 -15.155 6.311 -4.815
27 HA3 GLY 4 1HA GLY 4 -15.737 5.067 -3.719
28 H TRP 5 H TRP 5 -13.146 3.896 -3.231
29 HA TRP 5 HA TRP 5 -12.119 5.933 -1.394
30 HB2 TRP 5 2HB TRP 5 -12.779 3.326 -0.938
31 HB3 TRP 5 1HB TRP 5 -11.045 3.193 -1.210
32 HD1 TRP 5 HD TRP 5 -9.434 4.177 0.640
33 HE1 TRP 5 1HE TRP 5 -9.829 5.017 3.041
34 HE3 TRP 5 3HE TRP 5 -14.529 4.586 0.531
35 HZ2 TRP 5 2HZ TRP 5 -12.011 5.755 4.673
36 HZ3 TRP 5 3HZ TRP 5 -15.694 5.366 2.553
37 HH2 TRP 5 HH TRP 5 -14.459 5.938 4.581
38 H ILE 6 H ILE 6 -9.667 5.659 -0.942
39 HA ILE 6 HA ILE 6 -8.321 5.860 -3.534
40 HB ILE 6 HB ILE 6 -7.208 6.636 -0.841
41 HG12 ILE 6 2HG1 ILE 6 -7.815 8.992 -2.075
42 HG13 ILE 6 1HG1 ILE 6 -9.168 7.986 -2.584
43 HG21 ILE 6 1HG2 ILE 6 -6.448 7.511 -3.624
44 HG22 ILE 6 2HG2 ILE 6 -5.595 6.292 -2.678
45 HG23 ILE 6 3HG2 ILE 6 -5.648 7.963 -2.119
46 HD11 ILE 6 3HD1 ILE 6 -8.396 8.067 0.292
47 HD12 ILE 6 1HD1 ILE 6 -9.967 7.748 -0.446
48 HD13 ILE 6 2HD1 ILE 6 -9.326 9.392 -0.409
49 H LYS 7 H LYS 7 -8.226 3.551 -3.846
50 HA LYS 7 HA LYS 7 -6.786 1.887 -2.019
51 HB2 LYS 7 2HB LYS 7 -7.713 1.487 -4.861
52 HB3 LYS 7 1HB LYS 7 -6.838 0.255 -3.964
53 HG2 LYS 7 2HG LYS 7 -9.127 1.327 -2.514
54 HG3 LYS 7 1HG LYS 7 -9.557 0.555 -4.041
55 HD2 LYS 7 2HD LYS 7 -8.092 -1.389 -3.278
56 HD3 LYS 7 1HD LYS 7 -8.120 -0.633 -1.683
57 HE2 LYS 7 2HE LYS 7 -10.581 -1.394 -3.249
58 HE3 LYS 7 1HE LYS 7 -9.846 -2.405 -2.005
59 HZ1 LYS 7 3HZ LYS 7 -11.044 0.287 -1.645
60 HZ2 LYS 7 1HZ LYS 7 -10.174 -0.524 -0.441
61 HZ3 LYS 7 2HZ LYS 7 -11.620 -1.179 -1.028
62 H DBB 8 H DBB 8 -4.661 1.621 -1.841
63 HA DBB 8 HA DBB 8 -2.896 1.822 -4.091
64 HB3 DBB 8 HB DBB 8 -2.414 0.181 -2.381
65 HG1 DBB 8 3HG2 DBB 8 -0.132 0.728 -1.712
66 HG2 DBB 8 1HG2 DBB 8 -0.396 2.414 -2.152
67 HG3 DBB 8 2HG2 DBB 8 -0.407 1.167 -3.398
68 H LEU 9 H LEU 9 -3.470 3.745 -1.163
69 HA LEU 9 HA LEU 9 -2.620 6.129 -2.525
70 HB2 LEU 9 2HB LEU 9 -3.327 7.307 -0.557
71 HB3 LEU 9 1HB LEU 9 -4.536 6.112 -0.981
72 HG LEU 9 HG LEU 9 -2.757 4.881 0.854
73 HD11 LEU 9 1HD1 LEU 9 -2.393 7.464 1.302
74 HD12 LEU 9 2HD1 LEU 9 -2.490 6.297 2.620
75 HD13 LEU 9 3HD1 LEU 9 -3.899 7.270 2.198
76 HD21 LEU 9 3HD2 LEU 9 -4.942 4.117 0.838
77 HD22 LEU 9 1HD2 LEU 9 -5.621 5.745 0.840
78 HD23 LEU 9 2HD2 LEU 9 -4.902 5.089 2.309
79 H DBB 10 H DBB 10 -1.279 3.967 -0.124
80 HA DBB 10 HA DBB 10 0.844 5.749 0.610
81 HB3 DBB 10 HB DBB 10 1.322 4.799 -1.771
82 HG1 DBB 10 3HG2 DBB 10 3.789 4.562 -1.198
83 HG2 DBB 10 1HG2 DBB 10 3.317 4.881 0.472
84 HG3 DBB 10 2HG2 DBB 10 3.009 6.086 -0.777
85 H LYS 11 H LYS 11 1.345 5.309 2.620
86 HA LYS 11 HA LYS 11 2.078 2.814 3.632
87 HB2 LYS 11 2HB LYS 11 1.197 5.357 4.978
88 HB3 LYS 11 1HB LYS 11 1.680 3.938 5.895
89 HG2 LYS 11 2HG LYS 11 3.862 4.244 5.469
90 HG3 LYS 11 1HG LYS 11 3.572 4.766 3.809
91 HD2 LYS 11 2HD LYS 11 2.523 6.850 5.188
92 HD3 LYS 11 1HD LYS 11 3.815 6.348 6.282
93 HE2 LYS 11 2HE LYS 11 5.197 7.541 5.004
94 HE3 LYS 11 1HE LYS 11 4.998 6.288 3.778
95 HZ1 LYS 11 3HZ LYS 11 3.625 7.578 2.551
96 HZ2 LYS 11 1HZ LYS 11 4.482 8.825 3.309
97 HZ3 LYS 11 2HZ LYS 11 2.960 8.371 3.889
98 H ASP 12 H ASP 12 -1.050 4.041 3.019
99 HA ASP 12 HA ASP 12 -2.351 2.368 5.000
100 HB2 ASP 12 2HB ASP 12 -3.193 4.500 3.120
101 HB3 ASP 12 1HB ASP 12 -4.401 3.280 3.515
102 H CYS 13 H CYS 13 -0.747 1.146 2.815
103 HA CYS 13 HA CYS 13 -2.859 -0.593 1.742
104 HB2 CYS 13 2HB CYS 13 -0.386 0.279 0.235
105 HB3 CYS 13 1HB CYS 13 -1.650 -0.789 -0.365
106 HA PRO 14 HA PRO 14 0.440 -2.978 4.050
107 HB2 PRO 14 2HB PRO 14 -1.874 -4.329 5.247
108 HB3 PRO 14 1HB PRO 14 -0.499 -3.554 6.037
109 HG2 PRO 14 2HG PRO 14 -2.970 -2.486 6.100
110 HG3 PRO 14 1HG PRO 14 -1.509 -1.483 6.058
111 HD2 PRO 14 2HD PRO 14 -3.388 -2.191 3.835
112 HD3 PRO 14 1HD PRO 14 -2.612 -0.637 4.203
113 H ASN 15 H ASN 15 -2.295 -3.719 2.101
114 HA ASN 15 HA ASN 15 -1.033 -5.777 0.696
115 HB2 ASN 15 2HB ASN 15 -1.697 -6.787 3.091
116 HB3 ASN 15 1HB ASN 15 -3.223 -7.049 2.252
117 HD21 ASN 15 1HD2 ASN 15 -1.687 -9.136 3.188
118 HD22 ASN 15 2HD2 ASN 15 -1.058 -10.024 1.848
119 H VAL 16 H VAL 16 -4.086 -4.428 1.811
120 HA VAL 16 HA VAL 16 -5.932 -3.737 0.665
121 HB VAL 16 HB VAL 16 -4.544 -4.544 -1.887
122 HG11 VAL 16 1HG1 VAL 16 -6.699 -4.066 -2.501
123 HG12 VAL 16 2HG1 VAL 16 -5.976 -2.460 -2.602
124 HG13 VAL 16 3HG1 VAL 16 -6.932 -2.909 -1.190
125 HG21 VAL 16 3HG2 VAL 16 -3.831 -2.149 -2.000
126 HG22 VAL 16 1HG2 VAL 16 -3.024 -3.093 -0.749
127 HG23 VAL 16 2HG2 VAL 16 -4.324 -1.983 -0.315
128 H ILE 17 H ILE 17 -7.786 -4.602 -0.503
129 HA ILE 17 HA ILE 17 -7.752 -7.547 -0.623
130 HB ILE 17 HB ILE 17 -10.373 -6.302 -0.149
131 HG12 ILE 17 2HG1 ILE 17 -9.703 -6.235 2.405
132 HG13 ILE 17 1HG1 ILE 17 -8.098 -5.910 1.758
133 HG21 ILE 17 1HG2 ILE 17 -10.659 -8.481 0.229
134 HG22 ILE 17 2HG2 ILE 17 -9.899 -8.191 1.795
135 HG23 ILE 17 3HG2 ILE 17 -8.929 -8.760 0.435
136 HD11 ILE 17 3HD1 ILE 17 -9.911 -4.011 2.334
137 HD12 ILE 17 1HD1 ILE 17 -10.269 -4.282 0.629
138 HD13 ILE 17 2HD1 ILE 17 -8.640 -3.823 1.126
139 H SER 18 H SER 18 -10.409 -7.782 -1.625
140 HA SER 18 HA SER 18 -11.574 -7.843 -3.571
141 HB2 SER 18 2HB SER 18 -10.181 -5.193 -3.986
142 HB3 SER 18 1HB SER 18 -11.384 -5.838 -5.102
143 HG SER 18 HG SER 18 -11.697 -4.800 -2.544
144 H SER 19 H SER 19 -8.774 -6.188 -4.969
145 HA SER 19 HA SER 19 -7.366 -8.435 -5.840
146 HB2 SER 19 2HB SER 19 -8.009 -8.384 -8.273
147 HB3 SER 19 1HB SER 19 -9.242 -9.039 -7.198
148 HG SER 19 HG SER 19 -9.198 -6.621 -8.605
149 H ILE 20 H ILE 20 -5.898 -6.788 -5.048
150 HA ILE 20 HA ILE 20 -4.277 -5.232 -5.326
151 HB ILE 20 HB ILE 20 -4.491 -6.600 -7.793
152 HG12 ILE 20 2HG1 ILE 20 -2.302 -4.915 -6.569
153 HG13 ILE 20 1HG1 ILE 20 -2.546 -6.647 -6.367
154 HG21 ILE 20 1HG2 ILE 20 -3.898 -5.051 -9.470
155 HG22 ILE 20 2HG2 ILE 20 -3.708 -3.746 -8.302
156 HG23 ILE 20 3HG2 ILE 20 -5.315 -4.375 -8.669
157 HD11 ILE 20 3HD1 ILE 20 -2.212 -6.797 -8.897
158 HD12 ILE 20 1HD1 ILE 20 -0.799 -6.480 -7.891
159 HD13 ILE 20 2HD1 ILE 20 -1.568 -5.159 -8.772
160 H CYS 21 H CYS 21 -3.922 -3.013 -5.680
161 HA CYS 21 HA CYS 21 -6.084 -1.361 -5.383
162 HB2 CYS 21 2HB CYS 21 -4.610 0.488 -5.619
163 HB3 CYS 21 1HB CYS 21 -3.694 -0.801 -4.866
164 H ALA 22 H ALA 22 -4.343 -2.070 -8.363
165 HA ALA 22 HA ALA 22 -6.572 -1.888 -10.023
166 HB1 ALA 22 1HB ALA 22 -6.754 0.239 -10.729
167 HB2 ALA 22 2HB ALA 22 -5.011 0.506 -10.699
168 HB3 ALA 22 3HB ALA 22 -5.946 0.621 -9.208
169 H GLY 23 H GLY 23 -5.878 -3.444 -11.346
170 HA2 GLY 23 2HA GLY 23 -4.528 -4.658 -12.759
171 HA3 GLY 23 1HA GLY 23 -4.156 -3.080 -13.432
172 H THR 24 H THR 24 -2.047 -2.943 -13.732
173 HA THR 24 HA THR 24 -0.259 -3.280 -11.486
174 HB THR 24 HB THR 24 -0.250 -5.541 -12.296
175 HG1 THR 24 1HG THR 24 1.850 -5.674 -12.326
176 HG21 THR 24 3HG2 THR 24 0.405 -4.448 -15.021
177 HG22 THR 24 1HG2 THR 24 -1.118 -5.199 -14.545
178 HG23 THR 24 2HG2 THR 24 0.368 -6.151 -14.561
179 H ILE 25 H ILE 25 -1.200 -1.161 -13.341
180 HA ILE 25 HA ILE 25 1.366 -0.417 -14.579
181 HB ILE 25 HB ILE 25 0.091 1.187 -15.938
182 HG12 ILE 25 2HG1 ILE 25 -2.547 0.249 -15.706
183 HG13 ILE 25 1HG1 ILE 25 -2.000 0.517 -14.055
184 HG21 ILE 25 1HG2 ILE 25 0.366 -0.672 -17.203
185 HG22 ILE 25 2HG2 ILE 25 -1.391 -0.720 -17.070
186 HG23 ILE 25 3HG2 ILE 25 -0.400 -1.728 -16.017
187 HD11 ILE 25 3HD1 ILE 25 -1.417 2.654 -16.002
188 HD12 ILE 25 1HD1 ILE 25 -1.900 2.755 -14.310
189 HD13 ILE 25 2HD1 ILE 25 -3.106 2.419 -15.552
190 H ILE 26 H ILE 26 2.369 1.465 -14.034
191 HA ILE 26 HA ILE 26 2.880 3.372 -12.895
192 HB ILE 26 HB ILE 26 -0.015 3.559 -12.074
193 HG12 ILE 26 2HG1 ILE 26 0.149 3.295 -14.522
194 HG13 ILE 26 1HG1 ILE 26 -0.388 4.912 -14.076
195 HG21 ILE 26 1HG2 ILE 26 1.608 5.949 -12.659
196 HG22 ILE 26 2HG2 ILE 26 2.067 5.032 -11.224
197 HG23 ILE 26 3HG2 ILE 26 0.427 5.660 -11.382
198 HD11 ILE 26 3HD1 ILE 26 1.391 5.882 -15.007
199 HD12 ILE 26 1HD1 ILE 26 1.582 4.347 -15.856
200 HD13 ILE 26 2HD1 ILE 26 2.505 4.662 -14.386
201 H THR 27 H THR 27 0.268 1.880 -10.968
202 HA THR 27 HA THR 27 1.977 2.049 -8.606
203 HB THR 27 HB THR 27 -0.746 0.932 -8.345
204 HG1 THR 27 1HG THR 27 -0.287 3.589 -9.206
205 HG21 THR 27 3HG2 THR 27 -0.902 2.508 -6.498
206 HG22 THR 27 1HG2 THR 27 0.669 3.181 -6.934
207 HG23 THR 27 2HG2 THR 27 0.549 1.512 -6.375
208 H ALA 28 H ALA 28 1.841 0.160 -7.060
209 HA ALA 28 HA ALA 28 1.979 -2.377 -8.558
210 HB1 ALA 28 1HB ALA 28 3.770 -3.083 -7.049
211 HB2 ALA 28 2HB ALA 28 3.705 -1.520 -6.237
212 HB3 ALA 28 3HB ALA 28 4.206 -1.616 -7.924
213 H CYS 29 H CYS 29 0.781 -0.694 -5.792
214 HA CYS 29 HA CYS 29 -0.477 -1.298 -4.003
215 HB2 CYS 29 2HB CYS 29 -1.859 -3.546 -5.180
216 HB3 CYS 29 1HB CYS 29 -2.464 -1.961 -4.747
217 H LYS 30 H LYS 30 2.105 -2.689 -4.306
218 HA LYS 30 HA LYS 30 1.486 -5.183 -2.875
219 HB2 LYS 30 2HB LYS 30 3.150 -4.753 -5.068
220 HB3 LYS 30 1HB LYS 30 4.257 -4.902 -3.710
221 HG2 LYS 30 2HG LYS 30 3.042 -7.029 -3.109
222 HG3 LYS 30 1HG LYS 30 2.229 -6.899 -4.669
223 HD2 LYS 30 2HD LYS 30 5.109 -6.571 -4.893
224 HD3 LYS 30 1HD LYS 30 4.665 -8.122 -4.178
225 HE2 LYS 30 2HE LYS 30 2.935 -8.164 -6.161
226 HE3 LYS 30 1HE LYS 30 4.076 -7.037 -6.892
227 HZ1 LYS 30 3HZ LYS 30 5.045 -8.925 -7.587
228 HZ2 LYS 30 1HZ LYS 30 4.354 -9.876 -6.370
229 HZ3 LYS 30 2HZ LYS 30 5.728 -8.944 -6.040
230 H ASN 31 H ASN 31 3.339 -2.225 -2.816
231 HA ASN 31 HA ASN 31 3.519 -2.308 0.046
232 HB2 ASN 31 2HB ASN 31 5.984 -2.680 -1.645
233 HB3 ASN 31 1HB ASN 31 6.068 -1.987 -0.029
234 HD21 ASN 31 1HD2 ASN 31 6.871 -4.622 -1.413
235 HD22 ASN 31 2HD2 ASN 31 6.358 -5.825 -0.284
236 H CYS 32 H CYS 32 4.410 -0.313 0.934
237 HA CYS 32 HA CYS 32 4.657 1.887 -0.978
238 HB2 CYS 32 2HB CYS 32 2.468 1.495 0.961
239 HB3 CYS 32 1HB CYS 32 3.176 3.105 0.948
240 H ALA 33 H ALA 33 4.833 0.899 2.426
241 HA ALA 33 HA ALA 33 7.409 2.147 2.700
242 HB1 ALA 33 1HB ALA 33 6.744 3.614 4.587
243 HB2 ALA 33 2HB ALA 33 5.056 3.265 4.216
244 HB3 ALA 33 3HB ALA 33 6.062 4.109 3.038
Start of MODEL 18
1 H1 ALA 1 1HT ALA 1 -16.311 -3.154 -5.839
2 H2 ALA 1 2HT ALA 1 -15.899 -1.777 -4.901
3 H3 ALA 1 3HT ALA 1 -17.431 -1.866 -5.670
4 HA ALA 1 HA ALA 1 -18.179 -3.509 -4.274
5 HB1 ALA 1 2HB ALA 1 -15.994 -4.763 -4.351
6 HB2 ALA 1 3HB ALA 1 -16.828 -4.775 -2.797
7 HB3 ALA 1 1HB ALA 1 -15.441 -3.715 -3.044
8 H ASP 2 H ASP 2 -18.448 -3.409 -1.807
9 HA ASP 2 HA ASP 2 -18.376 -0.580 -1.049
10 HB2 ASP 2 2HB ASP 2 -20.018 -2.923 -0.092
11 HB3 ASP 2 1HB ASP 2 -19.982 -1.389 0.774
12 H ARG 3 H ARG 3 -15.971 -2.096 -0.902
13 HA ARG 3 HA ARG 3 -15.547 -2.107 2.014
14 HB2 ARG 3 2HB ARG 3 -15.249 -4.269 0.271
15 HB3 ARG 3 1HB ARG 3 -13.609 -3.706 0.561
16 HG2 ARG 3 2HG ARG 3 -13.736 -4.125 2.844
17 HG3 ARG 3 1HG ARG 3 -15.500 -4.168 2.835
18 HD2 ARG 3 2HD ARG 3 -14.785 -6.179 1.077
19 HD3 ARG 3 1HD ARG 3 -13.578 -6.297 2.357
20 HE ARG 3 HE ARG 3 -16.323 -7.020 2.528
21 HH11 ARG 3 1HH1 ARG 3 -13.670 -5.723 4.387
22 HH12 ARG 3 2HH1 ARG 3 -14.294 -6.283 5.902
23 HH21 ARG 3 1HH2 ARG 3 -17.144 -7.758 4.519
24 HH22 ARG 3 2HH2 ARG 3 -16.266 -7.440 5.977
25 H GLY 4 H GLY 4 -15.270 0.173 0.379
26 HA2 GLY 4 2HA GLY 4 -13.794 1.904 0.065
27 HA3 GLY 4 1HA GLY 4 -12.692 1.042 1.128
28 H TRP 5 H TRP 5 -12.718 2.449 -1.715
29 HA TRP 5 HA TRP 5 -11.827 0.540 -3.566
30 HB2 TRP 5 2HB TRP 5 -12.527 2.986 -3.962
31 HB3 TRP 5 1HB TRP 5 -10.866 3.395 -3.547
32 HD1 TRP 5 HD TRP 5 -9.116 1.491 -5.095
33 HE1 TRP 5 1HE TRP 5 -9.149 1.330 -7.664
34 HE3 TRP 5 3HE TRP 5 -13.748 3.469 -5.975
35 HZ2 TRP 5 2HZ TRP 5 -10.906 1.958 -9.783
36 HZ3 TRP 5 3HZ TRP 5 -14.530 3.654 -8.301
37 HH2 TRP 5 HH TRP 5 -13.137 2.914 -10.164
38 H ILE 6 H ILE 6 -9.740 3.001 -2.037
39 HA ILE 6 HA ILE 6 -7.495 2.982 -1.594
40 HB ILE 6 HB ILE 6 -8.044 0.202 -0.562
41 HG12 ILE 6 2HG1 ILE 6 -8.380 2.788 0.961
42 HG13 ILE 6 1HG1 ILE 6 -9.721 1.954 0.184
43 HG21 ILE 6 1HG2 ILE 6 -6.128 0.371 0.648
44 HG22 ILE 6 2HG2 ILE 6 -6.245 2.125 0.797
45 HG23 ILE 6 3HG2 ILE 6 -5.678 1.403 -0.709
46 HD11 ILE 6 3HD1 ILE 6 -8.131 1.175 2.573
47 HD12 ILE 6 1HD1 ILE 6 -8.884 -0.079 1.587
48 HD13 ILE 6 2HD1 ILE 6 -9.878 1.176 2.328
49 H LYS 7 H LYS 7 -6.593 2.989 -3.656
50 HA LYS 7 HA LYS 7 -5.726 0.360 -4.665
51 HB2 LYS 7 2HB LYS 7 -5.650 1.360 -6.902
52 HB3 LYS 7 1HB LYS 7 -7.260 1.474 -6.206
53 HG2 LYS 7 2HG LYS 7 -6.826 3.812 -5.608
54 HG3 LYS 7 1HG LYS 7 -5.227 3.691 -6.345
55 HD2 LYS 7 2HD LYS 7 -6.330 3.108 -8.497
56 HD3 LYS 7 1HD LYS 7 -7.892 3.401 -7.730
57 HE2 LYS 7 2HE LYS 7 -7.005 5.716 -7.167
58 HE3 LYS 7 1HE LYS 7 -5.688 5.370 -8.287
59 HZ1 LYS 7 3HZ LYS 7 -7.771 4.742 -9.799
60 HZ2 LYS 7 1HZ LYS 7 -7.111 6.299 -9.744
61 HZ3 LYS 7 2HZ LYS 7 -8.488 5.931 -8.833
62 H DBB 8 H DBB 8 -4.197 1.412 -2.705
63 HA DBB 8 HA DBB 8 -1.733 1.969 -4.132
64 HB3 DBB 8 HB DBB 8 -1.809 0.237 -2.359
65 HG1 DBB 8 3HG2 DBB 8 0.195 0.812 -1.185
66 HG2 DBB 8 1HG2 DBB 8 -0.049 2.530 -1.501
67 HG3 DBB 8 2HG2 DBB 8 0.333 1.435 -2.828
68 H LEU 9 H LEU 9 -3.681 3.476 -1.567
69 HA LEU 9 HA LEU 9 -2.947 6.089 -2.457
70 HB2 LEU 9 2HB LEU 9 -4.545 6.900 -0.995
71 HB3 LEU 9 1HB LEU 9 -5.164 5.317 -1.423
72 HG LEU 9 HG LEU 9 -3.814 6.103 1.158
73 HD11 LEU 9 1HD1 LEU 9 -6.481 4.823 1.016
74 HD12 LEU 9 2HD1 LEU 9 -6.360 6.508 0.512
75 HD13 LEU 9 3HD1 LEU 9 -5.860 6.036 2.135
76 HD21 LEU 9 3HD2 LEU 9 -3.038 3.905 0.613
77 HD22 LEU 9 1HD2 LEU 9 -4.663 3.387 0.164
78 HD23 LEU 9 2HD2 LEU 9 -4.287 3.754 1.847
79 H DBB 10 H DBB 10 -1.021 4.058 -0.871
80 HA DBB 10 HA DBB 10 -0.050 6.033 1.058
81 HB3 DBB 10 HB DBB 10 1.197 6.323 -1.052
82 HG1 DBB 10 3HG2 DBB 10 3.002 5.021 0.980
83 HG2 DBB 10 1HG2 DBB 10 2.377 6.661 1.148
84 HG3 DBB 10 2HG2 DBB 10 3.420 6.252 -0.212
85 H LYS 11 H LYS 11 1.696 5.118 2.464
86 HA LYS 11 HA LYS 11 2.231 2.420 2.785
87 HB2 LYS 11 2HB LYS 11 2.142 4.663 4.797
88 HB3 LYS 11 1HB LYS 11 2.691 3.043 5.206
89 HG2 LYS 11 2HG LYS 11 4.414 3.247 3.422
90 HG3 LYS 11 1HG LYS 11 3.918 4.925 3.204
91 HD2 LYS 11 2HD LYS 11 4.710 5.562 5.294
92 HD3 LYS 11 1HD LYS 11 4.688 3.910 5.914
93 HE2 LYS 11 2HE LYS 11 6.654 3.340 4.829
94 HE3 LYS 11 1HE LYS 11 6.493 4.634 3.642
95 HZ1 LYS 11 3HZ LYS 11 8.159 4.771 5.679
96 HZ2 LYS 11 1HZ LYS 11 6.794 5.432 6.430
97 HZ3 LYS 11 2HZ LYS 11 7.417 6.143 5.027
98 H ASP 12 H ASP 12 -0.706 4.061 3.371
99 HA ASP 12 HA ASP 12 -1.702 2.250 5.372
100 HB2 ASP 12 2HB ASP 12 -2.528 4.748 4.188
101 HB3 ASP 12 1HB ASP 12 -3.869 3.607 4.196
102 H CYS 13 H CYS 13 -0.793 1.115 2.778
103 HA CYS 13 HA CYS 13 -3.320 -0.029 1.806
104 HB2 CYS 13 2HB CYS 13 -0.609 0.241 0.507
105 HB3 CYS 13 1HB CYS 13 -1.884 -0.771 -0.157
106 HA PRO 14 HA PRO 14 -1.509 -3.383 4.497
107 HB2 PRO 14 2HB PRO 14 -4.300 -4.292 3.981
108 HB3 PRO 14 1HB PRO 14 -3.368 -4.323 5.483
109 HG2 PRO 14 2HG PRO 14 -5.269 -2.494 5.087
110 HG3 PRO 14 1HG PRO 14 -3.764 -2.087 5.931
111 HD2 PRO 14 2HD PRO 14 -4.635 -1.395 3.171
112 HD3 PRO 14 1HD PRO 14 -3.609 -0.487 4.298
113 H ASN 15 H ASN 15 -3.237 -3.367 1.485
114 HA ASN 15 HA ASN 15 -1.512 -5.278 0.298
115 HB2 ASN 15 2HB ASN 15 -4.211 -6.170 1.225
116 HB3 ASN 15 1HB ASN 15 -3.584 -6.797 -0.296
117 HD21 ASN 15 1HD2 ASN 15 -4.142 -8.246 2.123
118 HD22 ASN 15 2HD2 ASN 15 -2.653 -8.962 2.631
119 H VAL 16 H VAL 16 -1.456 -4.928 -1.833
120 HA VAL 16 HA VAL 16 -3.324 -3.011 -2.946
121 HB VAL 16 HB VAL 16 -0.698 -3.069 -3.177
122 HG11 VAL 16 1HG1 VAL 16 -1.253 -4.361 -5.788
123 HG12 VAL 16 2HG1 VAL 16 -1.054 -5.399 -4.376
124 HG13 VAL 16 3HG1 VAL 16 0.238 -4.294 -4.848
125 HG21 VAL 16 3HG2 VAL 16 -2.720 -1.700 -4.397
126 HG22 VAL 16 1HG2 VAL 16 -1.839 -2.365 -5.773
127 HG23 VAL 16 2HG2 VAL 16 -0.999 -1.362 -4.590
128 H ILE 17 H ILE 17 -3.514 -3.547 -5.527
129 HA ILE 17 HA ILE 17 -4.814 -6.175 -5.650
130 HB ILE 17 HB ILE 17 -6.246 -5.179 -7.420
131 HG12 ILE 17 2HG1 ILE 17 -5.530 -2.435 -6.566
132 HG13 ILE 17 1HG1 ILE 17 -4.383 -3.244 -7.628
133 HG21 ILE 17 1HG2 ILE 17 -6.235 -4.348 -4.597
134 HG22 ILE 17 2HG2 ILE 17 -7.476 -5.181 -5.533
135 HG23 ILE 17 3HG2 ILE 17 -7.293 -3.432 -5.670
136 HD11 ILE 17 3HD1 ILE 17 -6.156 -3.604 -9.265
137 HD12 ILE 17 1HD1 ILE 17 -5.957 -1.893 -8.888
138 HD13 ILE 17 2HD1 ILE 17 -7.304 -2.798 -8.197
139 H SER 18 H SER 18 -5.220 -6.355 -8.346
140 HA SER 18 HA SER 18 -2.808 -7.376 -9.294
141 HB2 SER 18 2HB SER 18 -5.235 -7.824 -10.090
142 HB3 SER 18 1HB SER 18 -4.977 -6.445 -11.157
143 HG SER 18 HG SER 18 -4.325 -8.863 -11.686
144 H SER 19 H SER 19 -4.057 -4.153 -9.375
145 HA SER 19 HA SER 19 -2.684 -3.098 -11.564
146 HB2 SER 19 2HB SER 19 -3.054 -0.926 -10.566
147 HB3 SER 19 1HB SER 19 -4.476 -1.928 -10.272
148 HG SER 19 HG SER 19 -4.098 -1.190 -8.303
149 H ILE 20 H ILE 20 -1.523 -4.061 -8.449
150 HA ILE 20 HA ILE 20 1.186 -3.401 -9.256
151 HB ILE 20 HB ILE 20 0.533 -2.648 -6.454
152 HG12 ILE 20 2HG1 ILE 20 -0.066 -0.844 -8.812
153 HG13 ILE 20 1HG1 ILE 20 -1.259 -1.533 -7.714
154 HG21 ILE 20 1HG2 ILE 20 2.637 -2.220 -8.417
155 HG22 ILE 20 2HG2 ILE 20 2.698 -2.156 -6.656
156 HG23 ILE 20 3HG2 ILE 20 2.175 -0.743 -7.571
157 HD11 ILE 20 3HD1 ILE 20 -0.293 0.934 -7.452
158 HD12 ILE 20 1HD1 ILE 20 0.903 0.064 -6.491
159 HD13 ILE 20 2HD1 ILE 20 -0.809 -0.045 -6.077
160 H CYS 21 H CYS 21 2.707 -4.183 -7.365
161 HA CYS 21 HA CYS 21 2.248 -6.962 -7.081
162 HB2 CYS 21 2HB CYS 21 4.310 -5.221 -5.722
163 HB3 CYS 21 1HB CYS 21 4.338 -6.980 -5.785
164 H ALA 22 H ALA 22 3.079 -4.856 -4.385
165 HA ALA 22 HA ALA 22 0.795 -4.934 -2.874
166 HB1 ALA 22 1HB ALA 22 1.562 -6.842 -1.242
167 HB2 ALA 22 2HB ALA 22 2.342 -7.475 -2.691
168 HB3 ALA 22 3HB ALA 22 0.599 -7.214 -2.673
169 H GLY 23 H GLY 23 2.983 -3.242 -3.265
170 HA2 GLY 23 2HA GLY 23 4.255 -1.776 -2.036
171 HA3 GLY 23 1HA GLY 23 3.563 -2.496 -0.590
172 H THR 24 H THR 24 6.111 -2.817 -3.004
173 HA THR 24 HA THR 24 7.783 -4.090 -0.962
174 HB THR 24 HB THR 24 6.918 -5.911 -2.343
175 HG1 THR 24 1HG THR 24 9.604 -5.410 -3.081
176 HG21 THR 24 3HG2 THR 24 8.178 -4.490 -4.677
177 HG22 THR 24 1HG2 THR 24 6.449 -4.718 -4.408
178 HG23 THR 24 2HG2 THR 24 7.488 -6.113 -4.695
179 H ILE 25 H ILE 25 10.118 -4.082 -1.593
180 HA ILE 25 HA ILE 25 10.748 -1.517 -2.859
181 HB ILE 25 HB ILE 25 12.664 -3.280 -1.344
182 HG12 ILE 25 2HG1 ILE 25 11.055 -0.992 -0.198
183 HG13 ILE 25 1HG1 ILE 25 10.622 -2.685 0.015
184 HG21 ILE 25 1HG2 ILE 25 12.968 -0.379 -1.242
185 HG22 ILE 25 2HG2 ILE 25 13.099 -1.048 -2.869
186 HG23 ILE 25 3HG2 ILE 25 14.157 -1.635 -1.586
187 HD11 ILE 25 3HD1 ILE 25 11.819 -1.734 1.942
188 HD12 ILE 25 1HD1 ILE 25 13.218 -1.455 0.905
189 HD13 ILE 25 2HD1 ILE 25 12.664 -3.101 1.214
190 H ILE 26 H ILE 26 10.060 -3.874 -4.442
191 HA ILE 26 HA ILE 26 12.465 -3.946 -6.094
192 HB ILE 26 HB ILE 26 12.515 -5.993 -4.711
193 HG12 ILE 26 2HG1 ILE 26 11.825 -6.810 -7.520
194 HG13 ILE 26 1HG1 ILE 26 13.248 -5.827 -7.195
195 HG21 ILE 26 1HG2 ILE 26 10.772 -7.367 -4.407
196 HG22 ILE 26 2HG2 ILE 26 10.279 -7.276 -6.097
197 HG23 ILE 26 3HG2 ILE 26 9.804 -6.004 -4.971
198 HD11 ILE 26 3HD1 ILE 26 14.021 -8.028 -7.262
199 HD12 ILE 26 1HD1 ILE 26 12.668 -8.626 -6.302
200 HD13 ILE 26 2HD1 ILE 26 13.919 -7.640 -5.545
201 H THR 27 H THR 27 12.037 -4.649 -8.298
202 HA THR 27 HA THR 27 10.887 -4.597 -10.253
203 HB THR 27 HB THR 27 8.516 -5.251 -8.495
204 HG1 THR 27 1HG THR 27 9.245 -7.205 -8.508
205 HG21 THR 27 3HG2 THR 27 8.858 -5.572 -11.465
206 HG22 THR 27 1HG2 THR 27 7.733 -4.491 -10.646
207 HG23 THR 27 2HG2 THR 27 7.532 -6.237 -10.511
208 H ALA 28 H ALA 28 9.260 -3.352 -11.474
209 HA ALA 28 HA ALA 28 9.415 -0.652 -11.044
210 HB1 ALA 28 1HB ALA 28 7.434 -2.291 -12.583
211 HB2 ALA 28 2HB ALA 28 8.783 -1.328 -13.184
212 HB3 ALA 28 3HB ALA 28 7.345 -0.530 -12.546
213 H CYS 29 H CYS 29 7.171 -2.896 -9.617
214 HA CYS 29 HA CYS 29 5.249 -0.973 -8.776
215 HB2 CYS 29 2HB CYS 29 4.472 -2.803 -7.252
216 HB3 CYS 29 1HB CYS 29 4.582 -3.275 -8.943
217 H LYS 30 H LYS 30 7.140 0.493 -8.061
218 HA LYS 30 HA LYS 30 7.803 -0.048 -5.246
219 HB2 LYS 30 2HB LYS 30 9.164 1.916 -7.091
220 HB3 LYS 30 1HB LYS 30 9.698 1.417 -5.492
221 HG2 LYS 30 2HG LYS 30 9.738 -0.962 -6.578
222 HG3 LYS 30 1HG LYS 30 9.842 -0.043 -8.080
223 HD2 LYS 30 2HD LYS 30 11.758 1.226 -6.980
224 HD3 LYS 30 1HD LYS 30 11.746 -0.042 -5.753
225 HE2 LYS 30 2HE LYS 30 12.449 -1.666 -7.238
226 HE3 LYS 30 1HE LYS 30 11.855 -0.784 -8.643
227 HZ1 LYS 30 3HZ LYS 30 14.146 -0.552 -8.759
228 HZ2 LYS 30 1HZ LYS 30 14.324 -0.331 -7.091
229 HZ3 LYS 30 2HZ LYS 30 13.662 0.901 -8.041
230 H ASN 31 H ASN 31 6.373 2.229 -7.462
231 HA ASN 31 HA ASN 31 6.099 4.366 -5.595
232 HB2 ASN 31 2HB ASN 31 4.456 5.253 -7.298
233 HB3 ASN 31 1HB ASN 31 6.074 4.929 -7.914
234 HD21 ASN 31 1HD2 ASN 31 4.641 5.052 -9.911
235 HD22 ASN 31 2HD2 ASN 31 4.018 3.548 -10.489
236 H CYS 32 H CYS 32 3.952 5.238 -4.943
237 HA CYS 32 HA CYS 32 2.342 3.070 -3.838
238 HB2 CYS 32 2HB CYS 32 3.192 5.580 -2.864
239 HB3 CYS 32 1HB CYS 32 1.445 5.691 -3.033
240 H ALA 33 H ALA 33 1.849 6.122 -5.606
241 HA ALA 33 HA ALA 33 -0.918 5.636 -6.085
242 HB1 ALA 33 1HB ALA 33 -0.326 7.476 -7.943
243 HB2 ALA 33 2HB ALA 33 1.063 7.679 -6.877
244 HB3 ALA 33 3HB ALA 33 -0.571 7.866 -6.241
Start of MODEL 19
1 H1 ALA 1 1HT ALA 1 -10.935 15.253 -6.661
2 H2 ALA 1 2HT ALA 1 -12.166 14.630 -5.637
3 H3 ALA 1 3HT ALA 1 -10.657 13.821 -5.762
4 HA ALA 1 HA ALA 1 -9.676 15.990 -4.957
5 HB1 ALA 1 2HB ALA 1 -12.201 16.884 -5.176
6 HB2 ALA 1 3HB ALA 1 -11.017 17.567 -4.060
7 HB3 ALA 1 1HB ALA 1 -12.197 16.389 -3.483
8 H ASP 2 H ASP 2 -12.299 14.146 -3.386
9 HA ASP 2 HA ASP 2 -10.697 13.669 -1.049
10 HB2 ASP 2 2HB ASP 2 -13.324 12.381 -1.814
11 HB3 ASP 2 1HB ASP 2 -12.608 12.449 -0.206
12 H ARG 3 H ARG 3 -10.504 11.376 -0.197
13 HA ARG 3 HA ARG 3 -9.422 9.697 -2.346
14 HB2 ARG 3 2HB ARG 3 -8.262 8.518 -0.421
15 HB3 ARG 3 1HB ARG 3 -7.750 10.169 -0.741
16 HG2 ARG 3 2HG ARG 3 -9.925 9.971 1.198
17 HG3 ARG 3 1HG ARG 3 -8.439 9.164 1.701
18 HD2 ARG 3 2HD ARG 3 -8.699 12.033 0.802
19 HD3 ARG 3 1HD ARG 3 -8.471 11.479 2.460
20 HE ARG 3 HE ARG 3 -6.458 11.779 0.452
21 HH11 ARG 3 1HH1 ARG 3 -7.345 9.973 3.304
22 HH12 ARG 3 2HH1 ARG 3 -5.710 9.578 3.715
23 HH21 ARG 3 1HH2 ARG 3 -4.307 11.257 0.990
24 HH22 ARG 3 2HH2 ARG 3 -3.986 10.307 2.403
25 H GLY 4 H GLY 4 -10.555 7.989 -2.974
26 HA2 GLY 4 2HA GLY 4 -12.882 7.114 -1.557
27 HA3 GLY 4 1HA GLY 4 -12.215 6.388 -3.012
28 H TRP 5 H TRP 5 -12.099 4.273 -2.555
29 HA TRP 5 HA TRP 5 -11.413 3.282 0.040
30 HB2 TRP 5 2HB TRP 5 -11.414 1.053 -1.111
31 HB3 TRP 5 1HB TRP 5 -12.901 1.971 -1.323
32 HD1 TRP 5 HD TRP 5 -9.576 1.913 -3.347
33 HE1 TRP 5 1HE TRP 5 -10.180 1.635 -5.834
34 HE3 TRP 5 3HE TRP 5 -14.662 1.605 -2.919
35 HZ2 TRP 5 2HZ TRP 5 -12.505 1.325 -7.405
36 HZ3 TRP 5 3HZ TRP 5 -16.003 1.318 -4.963
37 HH2 TRP 5 HH TRP 5 -14.945 1.180 -7.159
38 H ILE 6 H ILE 6 -9.690 1.286 -0.178
39 HA ILE 6 HA ILE 6 -7.165 2.635 -0.527
40 HB ILE 6 HB ILE 6 -6.164 0.543 0.311
41 HG12 ILE 6 2HG1 ILE 6 -8.324 -0.905 1.288
42 HG13 ILE 6 1HG1 ILE 6 -8.813 -0.484 -0.351
43 HG21 ILE 6 1HG2 ILE 6 -7.429 2.416 1.719
44 HG22 ILE 6 2HG2 ILE 6 -6.659 1.020 2.473
45 HG23 ILE 6 3HG2 ILE 6 -8.399 1.022 2.189
46 HD11 ILE 6 3HD1 ILE 6 -6.477 -1.356 -1.015
47 HD12 ILE 6 1HD1 ILE 6 -7.751 -2.511 -0.625
48 HD13 ILE 6 2HD1 ILE 6 -6.505 -2.137 0.566
49 H LYS 7 H LYS 7 -6.251 2.790 -2.461
50 HA LYS 7 HA LYS 7 -6.183 0.407 -4.174
51 HB2 LYS 7 2HB LYS 7 -6.577 1.751 -6.165
52 HB3 LYS 7 1HB LYS 7 -7.926 1.908 -5.048
53 HG2 LYS 7 2HG LYS 7 -6.513 4.014 -4.253
54 HG3 LYS 7 1HG LYS 7 -5.937 3.916 -5.919
55 HD2 LYS 7 2HD LYS 7 -7.911 4.581 -6.770
56 HD3 LYS 7 1HD LYS 7 -8.842 3.634 -5.608
57 HE2 LYS 7 2HE LYS 7 -9.250 6.010 -5.295
58 HE3 LYS 7 1HE LYS 7 -8.419 5.334 -3.893
59 HZ1 LYS 7 3HZ LYS 7 -6.793 6.516 -6.021
60 HZ2 LYS 7 1HZ LYS 7 -6.520 6.472 -4.351
61 HZ3 LYS 7 2HZ LYS 7 -7.639 7.564 -4.998
62 H DBB 8 H DBB 8 -4.239 1.558 -2.349
63 HA DBB 8 HA DBB 8 -2.016 1.731 -4.201
64 HB3 DBB 8 HB DBB 8 -1.719 0.266 -2.318
65 HG1 DBB 8 3HG2 DBB 8 0.248 1.079 -1.235
66 HG2 DBB 8 1HG2 DBB 8 -0.176 2.753 -1.592
67 HG3 DBB 8 2HG2 DBB 8 0.287 1.664 -2.898
68 H LEU 9 H LEU 9 -3.487 3.725 -1.660
69 HA LEU 9 HA LEU 9 -2.416 6.085 -2.980
70 HB2 LEU 9 2HB LEU 9 -4.062 7.335 -1.923
71 HB3 LEU 9 1HB LEU 9 -4.848 5.810 -2.271
72 HG LEU 9 HG LEU 9 -5.578 6.361 -0.122
73 HD11 LEU 9 1HD1 LEU 9 -4.537 4.732 1.390
74 HD12 LEU 9 2HD1 LEU 9 -3.214 4.529 0.242
75 HD13 LEU 9 3HD1 LEU 9 -4.852 4.058 -0.210
76 HD21 LEU 9 3HD2 LEU 9 -2.902 6.777 1.075
77 HD22 LEU 9 1HD2 LEU 9 -4.447 7.537 1.454
78 HD23 LEU 9 2HD2 LEU 9 -3.533 8.059 0.040
79 H DBB 10 H DBB 10 -1.271 4.104 -0.609
80 HA DBB 10 HA DBB 10 -0.443 5.995 1.340
81 HB3 DBB 10 HB DBB 10 0.890 6.697 -0.685
82 HG1 DBB 10 3HG2 DBB 10 2.901 7.124 0.444
83 HG2 DBB 10 1HG2 DBB 10 2.745 5.685 1.452
84 HG3 DBB 10 2HG2 DBB 10 1.682 7.066 1.718
85 H LYS 11 H LYS 11 1.457 5.089 2.659
86 HA LYS 11 HA LYS 11 2.118 2.365 2.601
87 HB2 LYS 11 2HB LYS 11 2.130 4.292 4.927
88 HB3 LYS 11 1HB LYS 11 2.925 2.723 4.911
89 HG2 LYS 11 2HG LYS 11 4.032 3.785 2.722
90 HG3 LYS 11 1HG LYS 11 3.709 5.263 3.630
91 HD2 LYS 11 2HD LYS 11 4.952 3.006 5.099
92 HD3 LYS 11 1HD LYS 11 5.957 3.860 3.926
93 HE2 LYS 11 2HE LYS 11 6.141 5.660 5.240
94 HE3 LYS 11 1HE LYS 11 4.420 5.659 5.623
95 HZ1 LYS 11 3HZ LYS 11 5.839 5.309 7.578
96 HZ2 LYS 11 1HZ LYS 11 6.429 3.880 6.891
97 HZ3 LYS 11 2HZ LYS 11 4.795 4.007 7.306
98 H ASP 12 H ASP 12 -0.716 3.965 3.717
99 HA ASP 12 HA ASP 12 -1.574 2.179 5.702
100 HB2 ASP 12 2HB ASP 12 -2.627 4.375 5.290
101 HB3 ASP 12 1HB ASP 12 -3.270 3.772 3.765
102 H CYS 13 H CYS 13 -1.351 1.845 2.296
103 HA CYS 13 HA CYS 13 -3.354 -0.021 1.758
104 HB2 CYS 13 2HB CYS 13 -0.618 0.312 0.515
105 HB3 CYS 13 1HB CYS 13 -1.898 -0.693 -0.157
106 HA PRO 14 HA PRO 14 -1.846 -3.332 4.433
107 HB2 PRO 14 2HB PRO 14 -3.889 -4.828 2.878
108 HB3 PRO 14 1HB PRO 14 -3.664 -4.719 4.628
109 HG2 PRO 14 2HG PRO 14 -5.646 -3.406 3.425
110 HG3 PRO 14 1HG PRO 14 -4.755 -2.679 4.774
111 HD2 PRO 14 2HD PRO 14 -4.546 -2.127 1.845
112 HD3 PRO 14 1HD PRO 14 -4.434 -1.005 3.216
113 H ASN 15 H ASN 15 -2.110 -3.287 0.987
114 HA ASN 15 HA ASN 15 0.322 -4.520 0.498
115 HB2 ASN 15 2HB ASN 15 -1.940 -6.393 0.796
116 HB3 ASN 15 1HB ASN 15 -0.980 -6.605 -0.667
117 HD21 ASN 15 1HD2 ASN 15 -0.815 -8.690 0.753
118 HD22 ASN 15 2HD2 ASN 15 0.613 -8.779 1.722
119 H VAL 16 H VAL 16 0.888 -4.291 -1.603
120 HA VAL 16 HA VAL 16 -1.168 -3.188 -3.393
121 HB VAL 16 HB VAL 16 1.821 -2.846 -3.601
122 HG11 VAL 16 1HG1 VAL 16 0.740 -0.763 -4.922
123 HG12 VAL 16 2HG1 VAL 16 -0.495 -1.988 -5.212
124 HG13 VAL 16 3HG1 VAL 16 1.176 -2.288 -5.693
125 HG21 VAL 16 3HG2 VAL 16 -0.117 -1.535 -1.887
126 HG22 VAL 16 1HG2 VAL 16 0.713 -0.393 -2.945
127 HG23 VAL 16 2HG2 VAL 16 1.644 -1.444 -1.878
128 H ILE 17 H ILE 17 -1.915 -5.061 -4.351
129 HA ILE 17 HA ILE 17 0.014 -6.847 -5.627
130 HB ILE 17 HB ILE 17 -2.984 -7.148 -5.594
131 HG12 ILE 17 2HG1 ILE 17 -0.967 -8.259 -3.629
132 HG13 ILE 17 1HG1 ILE 17 -2.140 -6.992 -3.284
133 HG21 ILE 17 1HG2 ILE 17 -2.289 -8.666 -7.140
134 HG22 ILE 17 2HG2 ILE 17 -2.065 -9.635 -5.684
135 HG23 ILE 17 3HG2 ILE 17 -0.684 -8.827 -6.426
136 HD11 ILE 17 3HD1 ILE 17 -2.552 -9.914 -3.644
137 HD12 ILE 17 1HD1 ILE 17 -3.863 -8.806 -4.047
138 HD13 ILE 17 2HD1 ILE 17 -3.195 -8.826 -2.415
139 H SER 18 H SER 18 -0.853 -4.028 -6.530
140 HA SER 18 HA SER 18 -1.646 -4.766 -9.268
141 HB2 SER 18 2HB SER 18 -2.572 -2.516 -9.498
142 HB3 SER 18 1HB SER 18 -3.284 -3.326 -8.102
143 HG SER 18 HG SER 18 -2.094 -2.074 -6.758
144 H SER 19 H SER 19 0.167 -2.224 -7.532
145 HA SER 19 HA SER 19 1.704 -1.509 -9.809
146 HB2 SER 19 2HB SER 19 2.012 -0.914 -6.866
147 HB3 SER 19 1HB SER 19 3.134 -0.298 -8.078
148 HG SER 19 HG SER 19 0.340 0.093 -8.266
149 H ILE 20 H ILE 20 3.509 -2.252 -6.907
150 HA ILE 20 HA ILE 20 4.871 -4.401 -8.367
151 HB ILE 20 HB ILE 20 6.194 -2.425 -6.516
152 HG12 ILE 20 2HG1 ILE 20 5.422 -1.424 -8.647
153 HG13 ILE 20 1HG1 ILE 20 7.177 -1.467 -8.521
154 HG21 ILE 20 1HG2 ILE 20 8.068 -3.655 -6.644
155 HG22 ILE 20 2HG2 ILE 20 7.839 -3.994 -8.359
156 HG23 ILE 20 3HG2 ILE 20 7.003 -4.967 -7.150
157 HD11 ILE 20 3HD1 ILE 20 6.183 -3.854 -9.783
158 HD12 ILE 20 1HD1 ILE 20 7.343 -2.666 -10.378
159 HD13 ILE 20 2HD1 ILE 20 5.615 -2.407 -10.619
160 H CYS 21 H CYS 21 6.262 -3.906 -5.341
161 HA CYS 21 HA CYS 21 6.363 -5.264 -3.519
162 HB2 CYS 21 2HB CYS 21 3.883 -4.023 -3.608
163 HB3 CYS 21 1HB CYS 21 3.490 -5.710 -3.295
164 H ALA 22 H ALA 22 6.619 -6.578 -5.967
165 HA ALA 22 HA ALA 22 5.131 -8.737 -6.603
166 HB1 ALA 22 1HB ALA 22 7.298 -8.006 -7.648
167 HB2 ALA 22 2HB ALA 22 7.067 -9.750 -7.518
168 HB3 ALA 22 3HB ALA 22 8.125 -8.913 -6.382
169 H GLY 23 H GLY 23 4.058 -9.744 -4.918
170 HA2 GLY 23 2HA GLY 23 3.729 -11.232 -3.202
171 HA3 GLY 23 1HA GLY 23 5.220 -11.983 -3.749
172 H THR 24 H THR 24 4.493 -8.857 -2.199
173 HA THR 24 HA THR 24 5.951 -9.664 0.178
174 HB THR 24 HB THR 24 6.892 -7.066 -0.839
175 HG1 THR 24 1HG THR 24 7.698 -9.471 -2.105
176 HG21 THR 24 3HG2 THR 24 8.368 -9.474 0.198
177 HG22 THR 24 1HG2 THR 24 7.846 -8.089 1.158
178 HG23 THR 24 2HG2 THR 24 9.055 -7.879 -0.109
179 H ILE 25 H ILE 25 6.004 -7.756 1.783
180 HA ILE 25 HA ILE 25 3.336 -6.540 1.754
181 HB ILE 25 HB ILE 25 5.217 -6.715 4.104
182 HG12 ILE 25 2HG1 ILE 25 4.685 -8.975 3.225
183 HG13 ILE 25 1HG1 ILE 25 3.998 -8.693 4.822
184 HG21 ILE 25 1HG2 ILE 25 2.599 -5.566 3.650
185 HG22 ILE 25 2HG2 ILE 25 3.699 -5.368 5.014
186 HG23 ILE 25 3HG2 ILE 25 2.584 -6.733 4.971
187 HD11 ILE 25 3HD1 ILE 25 1.938 -7.927 3.267
188 HD12 ILE 25 1HD1 ILE 25 2.159 -9.564 3.885
189 HD13 ILE 25 2HD1 ILE 25 2.674 -9.163 2.246
190 H ILE 26 H ILE 26 6.517 -5.607 3.076
191 HA ILE 26 HA ILE 26 6.354 -3.042 1.710
192 HB ILE 26 HB ILE 26 6.701 -3.131 4.706
193 HG12 ILE 26 2HG1 ILE 26 4.282 -2.299 3.086
194 HG13 ILE 26 1HG1 ILE 26 4.397 -3.732 4.103
195 HG21 ILE 26 1HG2 ILE 26 7.086 -0.909 4.643
196 HG22 ILE 26 2HG2 ILE 26 5.974 -0.646 3.299
197 HG23 ILE 26 3HG2 ILE 26 7.599 -1.260 2.993
198 HD11 ILE 26 3HD1 ILE 26 3.227 -2.205 5.400
199 HD12 ILE 26 1HD1 ILE 26 4.257 -0.858 4.915
200 HD13 ILE 26 2HD1 ILE 26 4.877 -2.093 6.011
201 H THR 27 H THR 27 8.236 -3.310 0.623
202 HA THR 27 HA THR 27 10.684 -3.162 2.148
203 HB THR 27 HB THR 27 11.716 -5.081 0.888
204 HG1 THR 27 1HG THR 27 10.469 -6.412 -0.254
205 HG21 THR 27 3HG2 THR 27 10.791 -6.858 2.251
206 HG22 THR 27 1HG2 THR 27 9.413 -5.841 2.667
207 HG23 THR 27 2HG2 THR 27 11.032 -5.395 3.207
208 H ALA 28 H ALA 28 9.559 -3.904 -1.158
209 HA ALA 28 HA ALA 28 11.376 -1.807 -2.142
210 HB1 ALA 28 1HB ALA 28 11.909 -3.081 -3.926
211 HB2 ALA 28 2HB ALA 28 10.286 -3.757 -4.065
212 HB3 ALA 28 3HB ALA 28 11.408 -4.396 -2.863
213 H CYS 29 H CYS 29 8.088 -2.788 -1.898
214 HA CYS 29 HA CYS 29 7.181 -1.077 -4.051
215 HB2 CYS 29 2HB CYS 29 4.983 -1.882 -3.553
216 HB3 CYS 29 1HB CYS 29 6.081 -3.248 -3.507
217 H LYS 30 H LYS 30 8.503 0.585 -2.599
218 HA LYS 30 HA LYS 30 6.967 1.775 -0.476
219 HB2 LYS 30 2HB LYS 30 9.436 2.791 -1.890
220 HB3 LYS 30 1HB LYS 30 8.755 3.456 -0.412
221 HG2 LYS 30 2HG LYS 30 9.081 1.065 0.523
222 HG3 LYS 30 1HG LYS 30 10.191 0.872 -0.834
223 HD2 LYS 30 2HD LYS 30 11.535 1.585 0.960
224 HD3 LYS 30 1HD LYS 30 11.293 3.025 -0.032
225 HE2 LYS 30 2HE LYS 30 9.351 3.579 1.509
226 HE3 LYS 30 1HE LYS 30 9.962 2.311 2.571
227 HZ1 LYS 30 3HZ LYS 30 11.906 4.285 1.691
228 HZ2 LYS 30 1HZ LYS 30 11.706 3.561 3.207
229 HZ3 LYS 30 2HZ LYS 30 10.712 4.849 2.747
230 H ASN 31 H ASN 31 7.440 2.297 -3.886
231 HA ASN 31 HA ASN 31 6.356 4.924 -3.991
232 HB2 ASN 31 2HB ASN 31 6.208 4.538 -6.420
233 HB3 ASN 31 1HB ASN 31 7.780 4.065 -5.785
234 HD21 ASN 31 1HD2 ASN 31 5.067 3.106 -7.540
235 HD22 ASN 31 2HD2 ASN 31 5.456 1.430 -7.703
236 H CYS 32 H CYS 32 4.354 5.411 -3.448
237 HA CYS 32 HA CYS 32 2.237 3.462 -3.529
238 HB2 CYS 32 2HB CYS 32 2.393 6.352 -2.697
239 HB3 CYS 32 1HB CYS 32 0.859 5.491 -2.754
240 H ALA 33 H ALA 33 2.738 6.653 -5.041
241 HA ALA 33 HA ALA 33 1.305 5.704 -7.408
242 HB1 ALA 33 1HB ALA 33 0.146 8.017 -7.426
243 HB2 ALA 33 2HB ALA 33 0.503 8.026 -5.699
244 HB3 ALA 33 3HB ALA 33 -0.497 6.745 -6.386
Start of MODEL 20
1 H1 ALA 1 1HT ALA 1 -22.790 6.491 -3.195
2 H2 ALA 1 2HT ALA 1 -21.482 5.380 -3.154
3 H3 ALA 1 3HT ALA 1 -22.896 5.081 -2.227
4 HA ALA 1 HA ALA 1 -23.189 3.709 -3.970
5 HB1 ALA 1 2HB ALA 1 -25.231 4.688 -3.996
6 HB2 ALA 1 3HB ALA 1 -24.702 5.188 -5.603
7 HB3 ALA 1 1HB ALA 1 -24.576 6.306 -4.246
8 H ASP 2 H ASP 2 -22.197 6.855 -5.321
9 HA ASP 2 HA ASP 2 -20.431 5.461 -7.176
10 HB2 ASP 2 2HB ASP 2 -22.926 6.754 -7.945
11 HB3 ASP 2 1HB ASP 2 -21.539 7.433 -8.792
12 H ARG 3 H ARG 3 -18.691 6.342 -6.071
13 HA ARG 3 HA ARG 3 -18.257 9.199 -6.565
14 HB2 ARG 3 2HB ARG 3 -18.940 8.510 -4.113
15 HB3 ARG 3 1HB ARG 3 -17.254 8.021 -4.010
16 HG2 ARG 3 2HG ARG 3 -16.858 10.442 -4.984
17 HG3 ARG 3 1HG ARG 3 -18.436 10.732 -4.248
18 HD2 ARG 3 2HD ARG 3 -17.627 10.041 -2.099
19 HD3 ARG 3 1HD ARG 3 -16.094 9.518 -2.793
20 HE ARG 3 HE ARG 3 -15.369 11.687 -2.745
21 HH11 ARG 3 1HH1 ARG 3 -18.834 11.646 -2.326
22 HH12 ARG 3 2HH1 ARG 3 -18.935 13.334 -1.955
23 HH21 ARG 3 1HH2 ARG 3 -15.499 13.908 -2.256
24 HH22 ARG 3 2HH2 ARG 3 -17.042 14.619 -1.914
25 H GLY 4 H GLY 4 -16.497 6.493 -5.045
26 HA2 GLY 4 2HA GLY 4 -14.773 5.542 -6.713
27 HA3 GLY 4 1HA GLY 4 -14.193 7.201 -6.729
28 H TRP 5 H TRP 5 -14.356 4.233 -4.947
29 HA TRP 5 HA TRP 5 -13.342 5.120 -2.480
30 HB2 TRP 5 2HB TRP 5 -14.357 2.823 -3.137
31 HB3 TRP 5 1HB TRP 5 -12.712 2.407 -3.609
32 HD1 TRP 5 HD TRP 5 -10.856 3.032 -1.447
33 HE1 TRP 5 1HE TRP 5 -11.127 2.291 1.003
34 HE3 TRP 5 3HE TRP 5 -15.893 2.150 -1.416
35 HZ2 TRP 5 2HZ TRP 5 -13.201 1.444 2.721
36 HZ3 TRP 5 3HZ TRP 5 -16.941 1.376 0.671
37 HH2 TRP 5 HH TRP 5 -15.622 1.032 2.696
38 H ILE 6 H ILE 6 -11.277 5.270 -1.660
39 HA ILE 6 HA ILE 6 -9.125 5.294 -3.671
40 HB ILE 6 HB ILE 6 -9.141 6.774 -1.042
41 HG12 ILE 6 2HG1 ILE 6 -9.817 7.797 -3.810
42 HG13 ILE 6 1HG1 ILE 6 -10.957 7.592 -2.484
43 HG21 ILE 6 1HG2 ILE 6 -7.349 8.097 -2.197
44 HG22 ILE 6 2HG2 ILE 6 -7.370 6.881 -3.474
45 HG23 ILE 6 3HG2 ILE 6 -6.924 6.425 -1.830
46 HD11 ILE 6 3HD1 ILE 6 -9.760 9.913 -3.089
47 HD12 ILE 6 1HD1 ILE 6 -8.619 9.278 -1.905
48 HD13 ILE 6 2HD1 ILE 6 -10.315 9.489 -1.470
49 H LYS 7 H LYS 7 -8.202 3.318 -3.532
50 HA LYS 7 HA LYS 7 -7.051 2.577 -0.930
51 HB2 LYS 7 2HB LYS 7 -7.515 0.218 -1.374
52 HB3 LYS 7 1HB LYS 7 -9.006 1.151 -1.332
53 HG2 LYS 7 2HG LYS 7 -8.314 1.208 -3.993
54 HG3 LYS 7 1HG LYS 7 -7.840 -0.414 -3.486
55 HD2 LYS 7 2HD LYS 7 -10.182 -0.482 -2.374
56 HD3 LYS 7 1HD LYS 7 -10.549 0.863 -3.456
57 HE2 LYS 7 2HE LYS 7 -9.913 -0.513 -5.378
58 HE3 LYS 7 1HE LYS 7 -9.543 -1.855 -4.296
59 HZ1 LYS 7 3HZ LYS 7 -12.214 -0.607 -4.656
60 HZ2 LYS 7 1HZ LYS 7 -11.862 -1.889 -3.609
61 HZ3 LYS 7 2HZ LYS 7 -11.729 -2.101 -5.281
62 H DBB 8 H DBB 8 -4.932 2.903 -1.236
63 HA DBB 8 HA DBB 8 -3.738 2.047 -3.777
64 HB3 DBB 8 HB DBB 8 -3.334 0.258 -2.194
65 HG1 DBB 8 3HG2 DBB 8 -0.926 0.139 -2.207
66 HG2 DBB 8 1HG2 DBB 8 -0.805 1.879 -2.458
67 HG3 DBB 8 2HG2 DBB 8 -1.476 0.851 -3.722
68 H LEU 9 H LEU 9 -3.235 3.890 -0.772
69 HA LEU 9 HA LEU 9 -2.108 6.057 -2.332
70 HB2 LEU 9 2HB LEU 9 -2.364 6.135 0.641
71 HB3 LEU 9 1HB LEU 9 -2.517 7.439 -0.521
72 HG LEU 9 HG LEU 9 -4.638 5.931 -1.244
73 HD11 LEU 9 1HD1 LEU 9 -3.858 4.591 0.977
74 HD12 LEU 9 2HD1 LEU 9 -5.517 4.651 0.382
75 HD13 LEU 9 3HD1 LEU 9 -5.001 5.744 1.665
76 HD21 LEU 9 3HD2 LEU 9 -4.490 8.038 0.907
77 HD22 LEU 9 1HD2 LEU 9 -5.990 7.481 0.168
78 HD23 LEU 9 2HD2 LEU 9 -4.768 8.286 -0.816
79 H DBB 10 H DBB 10 -0.972 3.597 -0.147
80 HA DBB 10 HA DBB 10 1.659 4.905 -0.049
81 HB3 DBB 10 HB DBB 10 2.802 2.843 -0.600
82 HG1 DBB 10 3HG2 DBB 10 1.519 0.875 -1.416
83 HG2 DBB 10 1HG2 DBB 10 0.060 1.628 -0.785
84 HG3 DBB 10 2HG2 DBB 10 1.346 1.147 0.316
85 H LYS 11 H LYS 11 0.387 5.340 2.074
86 HA LYS 11 HA LYS 11 1.608 3.689 4.085
87 HB2 LYS 11 2HB LYS 11 0.186 6.282 4.002
88 HB3 LYS 11 1HB LYS 11 0.059 5.386 5.509
89 HG2 LYS 11 2HG LYS 11 2.779 5.506 4.470
90 HG3 LYS 11 1HG LYS 11 2.087 7.092 4.818
91 HD2 LYS 11 2HD LYS 11 1.639 5.017 6.866
92 HD3 LYS 11 1HD LYS 11 3.311 5.544 6.660
93 HE2 LYS 11 2HE LYS 11 2.907 7.588 7.516
94 HE3 LYS 11 1HE LYS 11 1.326 7.709 6.746
95 HZ1 LYS 11 3HZ LYS 11 1.584 5.795 8.929
96 HZ2 LYS 11 1HZ LYS 11 0.289 6.805 8.523
97 HZ3 LYS 11 2HZ LYS 11 1.625 7.432 9.350
98 H ASP 12 H ASP 12 -1.499 3.904 2.592
99 HA ASP 12 HA ASP 12 -2.736 2.318 4.719
100 HB2 ASP 12 2HB ASP 12 -3.687 4.356 2.986
101 HB3 ASP 12 1HB ASP 12 -4.557 2.879 2.583
102 H CYS 13 H CYS 13 -0.763 1.341 2.598
103 HA CYS 13 HA CYS 13 -2.268 -1.065 1.963
104 HB2 CYS 13 2HB CYS 13 -0.664 -0.109 -0.321
105 HB3 CYS 13 1HB CYS 13 -2.200 -0.957 -0.301
106 HA PRO 14 HA PRO 14 2.014 -2.117 3.099
107 HB2 PRO 14 2HB PRO 14 1.110 -4.138 4.849
108 HB3 PRO 14 1HB PRO 14 1.654 -2.522 5.295
109 HG2 PRO 14 2HG PRO 14 -0.955 -3.530 5.545
110 HG3 PRO 14 1HG PRO 14 -0.464 -1.836 5.697
111 HD2 PRO 14 2HD PRO 14 -1.693 -3.255 3.386
112 HD3 PRO 14 1HD PRO 14 -1.866 -1.562 3.900
113 H ASN 15 H ASN 15 0.671 -3.054 0.745
114 HA ASN 15 HA ASN 15 2.129 -5.300 0.090
115 HB2 ASN 15 2HB ASN 15 0.073 -6.069 1.791
116 HB3 ASN 15 1HB ASN 15 -0.557 -6.440 0.191
117 HD21 ASN 15 1HD2 ASN 15 -0.366 -8.609 1.358
118 HD22 ASN 15 2HD2 ASN 15 1.095 -9.486 1.076
119 H VAL 16 H VAL 16 -0.700 -3.343 -0.400
120 HA VAL 16 HA VAL 16 -1.527 -2.401 -2.310
121 HB VAL 16 HB VAL 16 0.373 -4.132 -3.894
122 HG11 VAL 16 1HG1 VAL 16 -0.046 -1.725 -5.204
123 HG12 VAL 16 2HG1 VAL 16 -1.637 -2.163 -4.581
124 HG13 VAL 16 3HG1 VAL 16 -0.755 -3.285 -5.617
125 HG21 VAL 16 3HG2 VAL 16 2.010 -2.949 -2.931
126 HG22 VAL 16 1HG2 VAL 16 0.881 -1.789 -2.232
127 HG23 VAL 16 2HG2 VAL 16 1.426 -1.595 -3.897
128 H ILE 17 H ILE 17 -3.381 -2.884 -3.333
129 HA ILE 17 HA ILE 17 -4.266 -5.656 -3.266
130 HB ILE 17 HB ILE 17 -5.887 -3.259 -4.103
131 HG12 ILE 17 2HG1 ILE 17 -5.760 -4.439 -1.325
132 HG13 ILE 17 1HG1 ILE 17 -4.827 -3.026 -1.809
133 HG21 ILE 17 1HG2 ILE 17 -7.565 -4.694 -4.342
134 HG22 ILE 17 2HG2 ILE 17 -7.309 -5.336 -2.720
135 HG23 ILE 17 3HG2 ILE 17 -6.421 -6.011 -4.085
136 HD11 ILE 17 3HD1 ILE 17 -6.582 -1.675 -1.600
137 HD12 ILE 17 1HD1 ILE 17 -7.341 -3.005 -0.725
138 HD13 ILE 17 2HD1 ILE 17 -7.653 -2.792 -2.448
139 H SER 18 H SER 18 -2.377 -4.382 -5.352
140 HA SER 18 HA SER 18 -3.617 -5.702 -7.629
141 HB2 SER 18 2HB SER 18 -2.831 -3.686 -9.067
142 HB3 SER 18 1HB SER 18 -4.346 -3.543 -8.174
143 HG SER 18 HG SER 18 -3.490 -1.892 -7.224
144 H SER 19 H SER 19 -2.063 -6.030 -9.419
145 HA SER 19 HA SER 19 0.338 -7.129 -8.521
146 HB2 SER 19 2HB SER 19 0.947 -7.296 -10.915
147 HB3 SER 19 1HB SER 19 -0.704 -7.835 -10.612
148 HG SER 19 HG SER 19 -1.344 -5.658 -11.246
149 H ILE 20 H ILE 20 0.216 -4.460 -10.838
150 HA ILE 20 HA ILE 20 2.748 -3.479 -9.885
151 HB ILE 20 HB ILE 20 1.629 -3.643 -12.369
152 HG12 ILE 20 2HG1 ILE 20 3.824 -1.881 -11.320
153 HG13 ILE 20 1HG1 ILE 20 3.967 -3.479 -12.034
154 HG21 ILE 20 1HG2 ILE 20 0.137 -1.676 -11.648
155 HG22 ILE 20 2HG2 ILE 20 0.941 -1.593 -13.215
156 HG23 ILE 20 3HG2 ILE 20 1.590 -0.694 -11.844
157 HD11 ILE 20 3HD1 ILE 20 3.409 -2.616 -14.203
158 HD12 ILE 20 1HD1 ILE 20 4.727 -1.663 -13.519
159 HD13 ILE 20 2HD1 ILE 20 3.084 -1.020 -13.526
160 H CYS 21 H CYS 21 2.687 -0.857 -10.144
161 HA CYS 21 HA CYS 21 0.485 0.133 -8.492
162 HB2 CYS 21 2HB CYS 21 3.389 0.273 -7.889
163 HB3 CYS 21 1HB CYS 21 2.409 1.674 -7.492
164 H ALA 22 H ALA 22 3.235 0.989 -10.504
165 HA ALA 22 HA ALA 22 1.644 3.114 -11.737
166 HB1 ALA 22 1HB ALA 22 3.111 4.043 -9.880
167 HB2 ALA 22 2HB ALA 22 3.268 4.794 -11.468
168 HB3 ALA 22 3HB ALA 22 4.484 3.643 -10.913
169 H GLY 23 H GLY 23 3.275 4.167 -13.516
170 HA2 GLY 23 2HA GLY 23 3.533 2.155 -15.473
171 HA3 GLY 23 1HA GLY 23 4.136 3.799 -15.611
172 H THR 24 H THR 24 6.195 3.733 -16.193
173 HA THR 24 HA THR 24 8.410 3.241 -16.247
174 HB THR 24 HB THR 24 9.520 2.957 -14.231
175 HG1 THR 24 1HG THR 24 7.324 1.363 -13.467
176 HG21 THR 24 3HG2 THR 24 6.814 3.893 -13.311
177 HG22 THR 24 1HG2 THR 24 8.079 4.909 -14.000
178 HG23 THR 24 2HG2 THR 24 8.340 4.103 -12.454
179 H ILE 25 H ILE 25 9.912 1.529 -16.600
180 HA ILE 25 HA ILE 25 8.594 -1.082 -16.948
181 HB ILE 25 HB ILE 25 11.048 -0.098 -18.400
182 HG12 ILE 25 2HG1 ILE 25 8.744 -0.308 -20.093
183 HG13 ILE 25 1HG1 ILE 25 8.355 0.743 -18.734
184 HG21 ILE 25 1HG2 ILE 25 11.041 -2.043 -19.550
185 HG22 ILE 25 2HG2 ILE 25 9.283 -2.183 -19.517
186 HG23 ILE 25 3HG2 ILE 25 10.231 -2.633 -18.099
187 HD11 ILE 25 3HD1 ILE 25 9.246 2.330 -20.030
188 HD12 ILE 25 1HD1 ILE 25 10.158 1.174 -21.001
189 HD13 ILE 25 2HD1 ILE 25 10.783 1.698 -19.437
190 H ILE 26 H ILE 26 11.418 0.554 -15.683
191 HA ILE 26 HA ILE 26 13.069 -1.631 -15.158
192 HB ILE 26 HB ILE 26 12.796 0.812 -13.405
193 HG12 ILE 26 2HG1 ILE 26 14.943 0.807 -15.394
194 HG13 ILE 26 1HG1 ILE 26 13.338 0.814 -16.117
195 HG21 ILE 26 1HG2 ILE 26 15.420 0.193 -13.429
196 HG22 ILE 26 2HG2 ILE 26 14.713 -1.415 -13.591
197 HG23 ILE 26 3HG2 ILE 26 14.281 -0.397 -12.218
198 HD11 ILE 26 3HD1 ILE 26 14.728 2.893 -14.566
199 HD12 ILE 26 1HD1 ILE 26 12.998 2.720 -14.273
200 HD13 ILE 26 2HD1 ILE 26 13.589 3.037 -15.905
201 H THR 27 H THR 27 10.755 -0.046 -12.958
202 HA THR 27 HA THR 27 10.626 -2.563 -11.430
203 HB THR 27 HB THR 27 9.728 -0.697 -9.663
204 HG1 THR 27 1HG THR 27 11.826 0.536 -11.116
205 HG21 THR 27 3HG2 THR 27 11.895 -0.774 -8.583
206 HG22 THR 27 1HG2 THR 27 12.617 -1.434 -10.051
207 HG23 THR 27 2HG2 THR 27 11.421 -2.373 -9.157
208 H ALA 28 H ALA 28 8.534 -2.904 -10.294
209 HA ALA 28 HA ALA 28 6.330 -2.102 -12.051
210 HB1 ALA 28 1HB ALA 28 6.905 -4.488 -10.408
211 HB2 ALA 28 2HB ALA 28 6.133 -4.356 -11.988
212 HB3 ALA 28 3HB ALA 28 5.217 -3.995 -10.525
213 H CYS 29 H CYS 29 6.556 -2.918 -8.599
214 HA CYS 29 HA CYS 29 5.355 -0.357 -7.913
215 HB2 CYS 29 2HB CYS 29 3.353 -1.528 -8.119
216 HB3 CYS 29 1HB CYS 29 4.023 -3.013 -7.496
217 H LYS 30 H LYS 30 7.132 0.244 -6.793
218 HA LYS 30 HA LYS 30 7.933 -1.436 -4.512
219 HB2 LYS 30 2HB LYS 30 9.723 -0.953 -6.154
220 HB3 LYS 30 1HB LYS 30 9.500 0.767 -5.867
221 HG2 LYS 30 2HG LYS 30 10.000 -0.859 -3.468
222 HG3 LYS 30 1HG LYS 30 11.337 -0.752 -4.615
223 HD2 LYS 30 2HD LYS 30 10.700 1.816 -4.560
224 HD3 LYS 30 1HD LYS 30 10.053 1.375 -2.978
225 HE2 LYS 30 2HE LYS 30 12.184 1.884 -2.358
226 HE3 LYS 30 1HE LYS 30 12.417 0.184 -2.769
227 HZ1 LYS 30 3HZ LYS 30 13.280 0.795 -4.891
228 HZ2 LYS 30 1HZ LYS 30 14.106 1.701 -3.725
229 HZ3 LYS 30 2HZ LYS 30 12.894 2.424 -4.657
230 H ASN 31 H ASN 31 6.825 1.706 -5.511
231 HA ASN 31 HA ASN 31 6.334 2.398 -2.708
232 HB2 ASN 31 2HB ASN 31 7.966 3.947 -4.671
233 HB3 ASN 31 1HB ASN 31 6.951 4.840 -3.544
234 HD21 ASN 31 1HD2 ASN 31 7.113 3.517 -1.253
235 HD22 ASN 31 2HD2 ASN 31 8.741 3.437 -0.683
236 H CYS 32 H CYS 32 5.091 4.698 -2.835
237 HA CYS 32 HA CYS 32 2.921 4.300 -4.788
238 HB2 CYS 32 2HB CYS 32 2.864 4.992 -1.874
239 HB3 CYS 32 1HB CYS 32 1.552 5.522 -2.923
240 H ALA 33 H ALA 33 4.873 6.640 -3.022
241 HA ALA 33 HA ALA 33 3.736 8.828 -4.602
242 HB1 ALA 33 1HB ALA 33 5.834 9.402 -2.608
243 HB2 ALA 33 2HB ALA 33 4.317 8.757 -1.980
244 HB3 ALA 33 3HB ALA 33 4.317 10.239 -2.936