Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627570 | 6gif RC | 34270 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1H MET 1 -21.151 -2.449 -23.357
2 H2 MET 1 2H MET 1 -21.136 -2.318 -25.041
3 H3 MET 1 3H MET 1 -21.107 -0.923 -24.084
4 HA MET 1 HA MET 1 -18.980 -2.976 -24.194
5 HB2 MET 1 1HB MET 1 -19.122 -1.667 -26.262
6 HB3 MET 1 2HB MET 1 -19.067 -0.176 -25.333
7 HG2 MET 1 1HG MET 1 -16.915 -0.731 -26.370
8 HG3 MET 1 2HG MET 1 -16.820 -0.649 -24.611
9 HE1 MET 1 1HE MET 1 -14.479 -1.915 -24.646
10 HE2 MET 1 2HE MET 1 -14.564 -1.954 -26.407
11 HE3 MET 1 3HE MET 1 -14.207 -3.430 -25.508
12 H ALA 2 H ALA 2 -17.280 -2.688 -22.806
13 HA ALA 2 HA ALA 2 -16.132 -2.030 -20.969
14 HB1 ALA 2 1HB ALA 2 -15.922 0.345 -20.501
15 HB2 ALA 2 2HB ALA 2 -17.305 0.688 -21.540
16 HB3 ALA 2 3HB ALA 2 -15.820 0.042 -22.236
17 H THR 3 H THR 3 -18.253 -3.389 -20.285
18 HA THR 3 HA THR 3 -18.961 -2.282 -17.726
19 HB THR 3 HB THR 3 -20.657 -1.288 -19.255
20 HG1 THR 3 HG1 THR 3 -21.130 -2.767 -17.004
21 HG21 THR 3 1HG2 THR 3 -22.426 -2.739 -20.165
22 HG22 THR 3 2HG2 THR 3 -21.516 -4.154 -19.635
23 HG23 THR 3 3HG2 THR 3 -20.850 -3.090 -20.874
24 H LYS 4 H LYS 4 -17.785 -4.666 -19.272
25 HA LYS 4 HA LYS 4 -19.423 -6.810 -18.109
26 HB2 LYS 4 1HB LYS 4 -17.310 -6.985 -20.264
27 HB3 LYS 4 2HB LYS 4 -18.290 -8.321 -19.679
28 HG2 LYS 4 1HG LYS 4 -19.413 -5.864 -20.999
29 HG3 LYS 4 2HG LYS 4 -19.019 -7.354 -21.854
30 HD2 LYS 4 1HD LYS 4 -20.618 -8.573 -20.445
31 HD3 LYS 4 2HD LYS 4 -21.016 -7.070 -19.606
32 HE2 LYS 4 1HE LYS 4 -21.829 -6.101 -21.671
33 HE3 LYS 4 2HE LYS 4 -21.355 -7.542 -22.566
34 HZ1 LYS 4 1HZ LYS 4 -23.739 -7.464 -22.051
35 HZ2 LYS 4 2HZ LYS 4 -23.382 -7.493 -20.401
36 HZ3 LYS 4 3HZ LYS 4 -22.983 -8.815 -21.371
37 H HIS 5 H HIS 5 -17.229 -5.051 -16.882
38 HA HIS 5 HA HIS 5 -15.240 -7.059 -16.172
39 HB2 HIS 5 1HB HIS 5 -15.533 -4.232 -15.126
40 HB3 HIS 5 2HB HIS 5 -14.161 -5.297 -14.868
41 HD1 HIS 5 HD1 HIS 5 -15.245 -2.606 -16.948
42 HD2 HIS 5 HD2 HIS 5 -12.867 -5.973 -17.499
43 HE1 HIS 5 HE1 HIS 5 -13.875 -2.140 -19.003
44 HE2 HIS 5 HE2 HIS 5 -12.540 -4.235 -19.389
45 H GLY 6 H GLY 6 -18.103 -5.582 -14.937
46 HA2 GLY 6 1HA GLY 6 -19.438 -6.826 -13.357
47 HA3 GLY 6 2HA GLY 6 -17.946 -7.347 -12.586
48 H LYS 7 H LYS 7 -19.999 -6.251 -11.107
49 HA LYS 7 HA LYS 7 -19.375 -3.467 -10.630
50 HB2 LYS 7 1HB LYS 7 -21.035 -3.741 -8.748
51 HB3 LYS 7 2HB LYS 7 -21.670 -3.946 -10.373
52 HG2 LYS 7 1HG LYS 7 -21.548 -6.384 -10.077
53 HG3 LYS 7 2HG LYS 7 -20.964 -6.140 -8.431
54 HD2 LYS 7 1HD LYS 7 -23.029 -5.024 -7.832
55 HD3 LYS 7 2HD LYS 7 -23.605 -5.147 -9.495
56 HE2 LYS 7 1HE LYS 7 -24.642 -6.865 -8.156
57 HE3 LYS 7 2HE LYS 7 -23.532 -7.604 -9.307
58 HZ1 LYS 7 1HZ LYS 7 -21.906 -7.847 -7.550
59 HZ2 LYS 7 2HZ LYS 7 -23.358 -8.584 -7.095
60 HZ3 LYS 7 3HZ LYS 7 -22.934 -7.084 -6.446
61 H ASN 8 H ASN 8 -17.830 -6.092 -10.000
62 HA ASN 8 HA ASN 8 -17.002 -5.438 -7.273
63 HB2 ASN 8 1HB ASN 8 -15.822 -7.575 -7.288
64 HB3 ASN 8 2HB ASN 8 -17.502 -7.804 -7.757
65 HD21 ASN 8 1HD2 ASN 8 -15.088 -9.416 -8.275
66 HD22 ASN 8 2HD2 ASN 8 -15.020 -9.606 -9.992
67 H SER 9 H SER 9 -15.995 -5.206 -10.539
68 HA SER 9 HA SER 9 -13.293 -5.256 -10.514
69 HB2 SER 9 1HB SER 9 -14.679 -4.940 -12.529
70 HB3 SER 9 2HB SER 9 -14.994 -3.277 -12.038
71 HG SER 9 HG SER 9 -13.257 -2.858 -13.137
72 H TRP 10 H TRP 10 -15.242 -2.361 -9.689
73 HA TRP 10 HA TRP 10 -13.123 -0.585 -9.359
74 HB2 TRP 10 1HB TRP 10 -14.646 0.849 -8.265
75 HB3 TRP 10 2HB TRP 10 -15.654 -0.086 -9.361
76 HD1 TRP 10 HD1 TRP 10 -17.488 -1.659 -8.283
77 HE1 TRP 10 HE1 TRP 10 -18.382 -1.945 -5.886
78 HE3 TRP 10 HE3 TRP 10 -13.830 0.867 -5.765
79 HZ2 TRP 10 HZ2 TRP 10 -17.624 -1.202 -3.268
80 HZ3 TRP 10 HZ3 TRP 10 -13.988 1.027 -3.310
81 HH2 TRP 10 HH2 TRP 10 -15.838 0.002 -2.092
82 H LYS 11 H LYS 11 -14.404 -3.092 -7.401
83 HA LYS 11 HA LYS 11 -13.183 -2.219 -4.941
84 HB2 LYS 11 1HB LYS 11 -15.416 -3.593 -5.430
85 HB3 LYS 11 2HB LYS 11 -14.307 -4.950 -5.312
86 HG2 LYS 11 1HG LYS 11 -13.668 -3.395 -3.139
87 HG3 LYS 11 2HG LYS 11 -15.416 -3.262 -3.268
88 HD2 LYS 11 1HD LYS 11 -14.784 -5.124 -1.824
89 HD3 LYS 11 2HD LYS 11 -15.620 -5.691 -3.270
90 HE2 LYS 11 1HE LYS 11 -13.449 -6.252 -4.291
91 HE3 LYS 11 2HE LYS 11 -12.634 -5.682 -2.836
92 HZ1 LYS 11 1HZ LYS 11 -14.572 -7.929 -2.918
93 HZ2 LYS 11 2HZ LYS 11 -13.687 -7.419 -1.569
94 HZ3 LYS 11 3HZ LYS 11 -12.892 -8.101 -2.894
95 H THR 12 H THR 12 -12.702 -4.457 -7.524
96 HA THR 12 HA THR 12 -10.554 -5.911 -6.431
97 HB THR 12 HB THR 12 -10.725 -5.405 -9.371
98 HG1 THR 12 HG1 THR 12 -12.485 -6.827 -9.502
99 HG21 THR 12 1HG2 THR 12 -10.182 -7.758 -9.447
100 HG22 THR 12 2HG2 THR 12 -10.377 -7.877 -7.697
101 HG23 THR 12 3HG2 THR 12 -9.053 -6.920 -8.373
102 H LEU 13 H LEU 13 -10.850 -2.885 -8.170
103 HA LEU 13 HA LEU 13 -8.073 -2.348 -8.467
104 HB2 LEU 13 1HB LEU 13 -9.994 -0.135 -7.863
105 HB3 LEU 13 2HB LEU 13 -8.677 -0.155 -9.017
106 HG LEU 13 HG LEU 13 -11.418 -1.318 -9.295
107 HD11 LEU 13 1HD1 LEU 13 -9.959 0.850 -10.797
108 HD12 LEU 13 2HD1 LEU 13 -11.268 1.074 -9.638
109 HD13 LEU 13 3HD1 LEU 13 -11.577 0.256 -11.169
110 HD21 LEU 13 1HD2 LEU 13 -9.830 -2.865 -10.328
111 HD22 LEU 13 2HD2 LEU 13 -9.073 -1.533 -11.202
112 HD23 LEU 13 3HD2 LEU 13 -10.732 -2.004 -11.575
113 H TYR 14 H TYR 14 -10.288 -2.320 -5.916
114 HA TYR 14 HA TYR 14 -9.073 -0.160 -4.470
115 HB2 TYR 14 1HB TYR 14 -11.600 -0.737 -4.854
116 HB3 TYR 14 2HB TYR 14 -11.344 -1.777 -3.456
117 HD1 TYR 14 HD1 TYR 14 -11.028 -0.877 -1.290
118 HD2 TYR 14 HD2 TYR 14 -11.311 1.637 -4.700
119 HE1 TYR 14 HE1 TYR 14 -11.222 1.056 0.193
120 HE2 TYR 14 HE2 TYR 14 -11.522 3.613 -3.229
121 HH TYR 14 HH TYR 14 -10.861 3.496 0.119
122 H LEU 15 H LEU 15 -9.949 -3.535 -3.845
123 HA LEU 15 HA LEU 15 -8.586 -3.716 -1.386
124 HB2 LEU 15 1HB LEU 15 -8.926 -6.058 -1.543
125 HB3 LEU 15 2HB LEU 15 -10.307 -5.326 -2.339
126 HG LEU 15 HG LEU 15 -8.538 -5.717 -4.420
127 HD11 LEU 15 1HD1 LEU 15 -8.410 -8.105 -2.589
128 HD12 LEU 15 2HD1 LEU 15 -7.066 -7.047 -3.017
129 HD13 LEU 15 3HD1 LEU 15 -7.831 -8.046 -4.253
130 HD21 LEU 15 1HD2 LEU 15 -10.920 -6.072 -4.506
131 HD22 LEU 15 2HD2 LEU 15 -10.776 -7.480 -3.448
132 HD23 LEU 15 3HD2 LEU 15 -10.076 -7.518 -5.067
133 H LYS 16 H LYS 16 -7.618 -3.717 -4.663
134 HA LYS 16 HA LYS 16 -4.981 -4.778 -4.291
135 HB2 LYS 16 1HB LYS 16 -6.087 -4.962 -6.478
136 HB3 LYS 16 2HB LYS 16 -6.255 -3.220 -6.556
137 HG2 LYS 16 1HG LYS 16 -3.543 -4.455 -6.348
138 HG3 LYS 16 2HG LYS 16 -4.376 -4.369 -7.900
139 HD2 LYS 16 1HD LYS 16 -4.045 -1.950 -6.142
140 HD3 LYS 16 2HD LYS 16 -2.784 -2.449 -7.284
141 HE2 LYS 16 1HE LYS 16 -5.652 -1.866 -8.026
142 HE3 LYS 16 2HE LYS 16 -4.317 -0.728 -8.203
143 HZ1 LYS 16 1HZ LYS 16 -4.553 -3.358 -9.568
144 HZ2 LYS 16 2HZ LYS 16 -3.248 -2.295 -9.716
145 HZ3 LYS 16 3HZ LYS 16 -4.773 -1.842 -10.284
146 H ILE 17 H ILE 17 -6.582 -1.694 -4.655
147 HA ILE 17 HA ILE 17 -4.426 0.020 -4.892
148 HB ILE 17 HB ILE 17 -7.161 0.273 -4.876
149 HG12 ILE 17 1HG1 ILE 17 -6.604 2.775 -5.116
150 HG13 ILE 17 2HG1 ILE 17 -4.928 2.275 -4.874
151 HG21 ILE 17 1HG2 ILE 17 -6.160 1.860 -2.503
152 HG22 ILE 17 2HG2 ILE 17 -7.284 0.500 -2.445
153 HG23 ILE 17 3HG2 ILE 17 -7.754 1.999 -3.248
154 HD11 ILE 17 1HD1 ILE 17 -5.554 2.471 -7.254
155 HD12 ILE 17 2HD1 ILE 17 -6.752 1.192 -7.009
156 HD13 ILE 17 3HD1 ILE 17 -5.035 0.845 -6.806
157 H SER 18 H SER 18 -5.892 -1.374 -2.105
158 HA SER 18 HA SER 18 -4.401 0.336 -0.313
159 HB2 SER 18 1HB SER 18 -6.726 -0.334 0.252
160 HB3 SER 18 2HB SER 18 -6.219 -2.020 0.303
161 HG SER 18 HG SER 18 -5.199 0.050 1.965
162 H PHE 19 H PHE 19 -4.468 -2.903 -1.533
163 HA PHE 19 HA PHE 19 -2.677 -4.229 0.090
164 HB2 PHE 19 1HB PHE 19 -3.619 -5.707 -1.342
165 HB3 PHE 19 2HB PHE 19 -3.748 -4.509 -2.628
166 HD1 PHE 19 HD1 PHE 19 -2.402 -4.635 -4.449
167 HD2 PHE 19 HD2 PHE 19 -1.218 -6.637 -0.889
168 HE1 PHE 19 HE1 PHE 19 -0.486 -5.572 -5.632
169 HE2 PHE 19 HE2 PHE 19 0.707 -7.600 -2.068
170 HZ PHE 19 HZ PHE 19 1.077 -7.076 -4.449
171 H LEU 20 H LEU 20 -1.850 -2.703 -3.080
172 HA LEU 20 HA LEU 20 0.938 -3.136 -2.522
173 HB2 LEU 20 1HB LEU 20 1.448 -2.266 -4.616
174 HB3 LEU 20 2HB LEU 20 -0.114 -3.017 -4.851
175 HG LEU 20 HG LEU 20 0.344 -0.057 -4.486
176 HD11 LEU 20 1HD1 LEU 20 1.257 -0.831 -6.594
177 HD12 LEU 20 2HD1 LEU 20 -0.225 0.083 -6.872
178 HD13 LEU 20 3HD1 LEU 20 -0.246 -1.679 -6.959
179 HD21 LEU 20 1HD2 LEU 20 -1.812 -0.459 -3.731
180 HD22 LEU 20 2HD2 LEU 20 -2.081 -1.745 -4.923
181 HD23 LEU 20 3HD2 LEU 20 -2.037 -0.052 -5.440
182 H GLY 21 H GLY 21 -1.361 -0.735 -1.920
183 HA2 GLY 21 1HA GLY 21 0.350 1.461 -1.400
184 HA3 GLY 21 2HA GLY 21 -1.296 1.233 -0.826
185 H CYS 22 H CYS 22 -0.109 -1.453 0.167
186 HA CYS 22 HA CYS 22 0.500 -0.612 2.869
187 HB2 CYS 22 1HB CYS 22 0.253 -3.344 1.592
188 HB3 CYS 22 2HB CYS 22 0.641 -3.073 3.282
189 HG CYS 22 HG CYS 22 -2.242 -1.826 1.972
190 H LYS 23 H LYS 23 1.831 -2.494 0.269
191 HA LYS 23 HA LYS 23 4.399 -2.984 1.090
192 HB2 LYS 23 1HB LYS 23 3.454 -2.098 -1.609
193 HB3 LYS 23 2HB LYS 23 4.956 -2.943 -1.281
194 HG2 LYS 23 1HG LYS 23 3.757 -4.930 -0.627
195 HG3 LYS 23 2HG LYS 23 2.218 -4.081 -0.752
196 HD2 LYS 23 1HD LYS 23 2.426 -5.393 -2.714
197 HD3 LYS 23 2HD LYS 23 2.744 -3.726 -3.191
198 HE2 LYS 23 1HE LYS 23 4.335 -5.199 -4.248
199 HE3 LYS 23 2HE LYS 23 5.160 -4.178 -3.072
200 HZ1 LYS 23 1HZ LYS 23 4.279 -6.957 -2.528
201 HZ2 LYS 23 2HZ LYS 23 5.248 -5.984 -1.539
202 HZ3 LYS 23 3HZ LYS 23 5.842 -6.540 -3.022
203 H VAL 24 H VAL 24 2.957 -0.229 -0.377
204 HA VAL 24 HA VAL 24 5.410 1.244 -0.461
205 HB VAL 24 HB VAL 24 2.618 2.185 -0.989
206 HG11 VAL 24 1HG1 VAL 24 5.265 3.425 -1.693
207 HG12 VAL 24 2HG1 VAL 24 4.108 4.033 -0.511
208 HG13 VAL 24 3HG1 VAL 24 3.692 4.015 -2.226
209 HG21 VAL 24 1HG2 VAL 24 3.294 0.349 -2.444
210 HG22 VAL 24 2HG2 VAL 24 4.748 1.241 -2.890
211 HG23 VAL 24 3HG2 VAL 24 3.161 1.860 -3.349
212 H VAL 25 H VAL 25 2.691 0.891 1.600
213 HA VAL 25 HA VAL 25 3.151 3.135 3.265
214 HB VAL 25 HB VAL 25 1.657 0.619 3.515
215 HG11 VAL 25 1HG1 VAL 25 3.131 0.328 5.462
216 HG12 VAL 25 2HG1 VAL 25 1.468 0.660 5.948
217 HG13 VAL 25 3HG1 VAL 25 2.683 1.936 6.032
218 HG21 VAL 25 1HG2 VAL 25 0.077 2.139 4.618
219 HG22 VAL 25 2HG2 VAL 25 0.615 2.720 3.042
220 HG23 VAL 25 3HG2 VAL 25 1.292 3.416 4.521
221 H ALA 26 H ALA 26 4.576 -0.023 2.974
222 HA ALA 26 HA ALA 26 6.117 0.074 5.313
223 HB1 ALA 26 1HB ALA 26 7.451 -1.707 4.301
224 HB2 ALA 26 2HB ALA 26 6.672 -1.403 2.748
225 HB3 ALA 26 3HB ALA 26 5.724 -2.003 4.107
226 H LEU 27 H LEU 27 6.607 1.444 2.093
227 HA LEU 27 HA LEU 27 9.286 2.231 2.918
228 HB2 LEU 27 1HB LEU 27 9.641 3.046 0.688
229 HB3 LEU 27 2HB LEU 27 8.984 1.425 0.645
230 HG LEU 27 HG LEU 27 6.701 2.696 0.291
231 HD11 LEU 27 1HD1 LEU 27 6.972 4.722 -1.042
232 HD12 LEU 27 2HD1 LEU 27 8.713 4.679 -0.765
233 HD13 LEU 27 3HD1 LEU 27 7.612 4.941 0.587
234 HD21 LEU 27 1HD2 LEU 27 7.069 2.529 -2.134
235 HD22 LEU 27 2HD2 LEU 27 7.665 1.115 -1.267
236 HD23 LEU 27 3HD2 LEU 27 8.797 2.338 -1.845
237 H LEU 28 H LEU 28 6.138 3.565 2.669
238 HA LEU 28 HA LEU 28 7.015 6.316 2.761
239 HB2 LEU 28 1HB LEU 28 5.151 6.133 1.465
240 HB3 LEU 28 2HB LEU 28 4.462 4.852 2.437
241 HG LEU 28 HG LEU 28 4.409 7.116 4.073
242 HD11 LEU 28 1HD1 LEU 28 4.821 8.514 2.114
243 HD12 LEU 28 2HD1 LEU 28 3.188 8.746 2.737
244 HD13 LEU 28 3HD1 LEU 28 3.448 7.770 1.290
245 HD21 LEU 28 1HD2 LEU 28 2.824 5.261 3.986
246 HD22 LEU 28 2HD2 LEU 28 2.243 5.835 2.419
247 HD23 LEU 28 3HD2 LEU 28 2.006 6.822 3.861
248 H LYS 29 H LYS 29 4.696 4.552 4.859
249 HA LYS 29 HA LYS 29 5.317 6.365 7.037
250 HB2 LYS 29 1HB LYS 29 3.340 4.105 6.767
251 HB3 LYS 29 2HB LYS 29 3.600 4.958 8.281
252 HG2 LYS 29 1HG LYS 29 2.884 7.035 7.271
253 HG3 LYS 29 2HG LYS 29 2.699 6.235 5.711
254 HD2 LYS 29 1HD LYS 29 0.991 4.758 6.701
255 HD3 LYS 29 2HD LYS 29 1.155 5.622 8.229
256 HE2 LYS 29 1HE LYS 29 0.276 6.827 5.607
257 HE3 LYS 29 2HE LYS 29 -0.785 6.397 6.947
258 HZ1 LYS 29 1HZ LYS 29 0.413 8.004 8.327
259 HZ2 LYS 29 2HZ LYS 29 -0.299 8.738 6.983
260 HZ3 LYS 29 3HZ LYS 29 1.364 8.446 6.998
261 H ARG 30 H ARG 30 5.842 3.143 6.037
262 HA ARG 30 HA ARG 30 7.240 1.512 6.677
263 HB2 ARG 30 1HB ARG 30 8.440 3.623 8.477
264 HB3 ARG 30 2HB ARG 30 9.135 2.032 8.210
265 HG2 ARG 30 1HG ARG 30 9.419 2.546 5.844
266 HG3 ARG 30 2HG ARG 30 8.709 4.141 6.104
267 HD2 ARG 30 1HD ARG 30 11.138 4.279 6.059
268 HD3 ARG 30 2HD ARG 30 10.517 4.690 7.656
269 HE ARG 30 HE ARG 30 11.529 1.986 7.090
270 HH11 ARG 30 1HH1 ARG 30 11.653 4.962 8.931
271 HH12 ARG 30 2HH1 ARG 30 12.785 4.343 10.089
272 HH21 ARG 30 1HH2 ARG 30 13.018 1.169 8.617
273 HH22 ARG 30 2HH2 ARG 30 13.560 2.192 9.910
Start of MODEL 2
1 H1 MET 1 1H MET 1 -13.918 -5.906 -27.578
2 H2 MET 1 2H MET 1 -14.137 -5.366 -25.991
3 H3 MET 1 3H MET 1 -14.933 -6.756 -26.528
4 HA MET 1 HA MET 1 -12.867 -7.919 -26.775
5 HB2 MET 1 1HB MET 1 -11.544 -5.871 -27.331
6 HB3 MET 1 2HB MET 1 -11.605 -5.414 -25.637
7 HG2 MET 1 1HG MET 1 -10.410 -7.491 -25.063
8 HG3 MET 1 2HG MET 1 -10.293 -7.869 -26.780
9 HE1 MET 1 1HE MET 1 -8.244 -4.236 -24.795
10 HE2 MET 1 2HE MET 1 -9.303 -5.363 -23.947
11 HE3 MET 1 3HE MET 1 -9.969 -4.262 -25.153
12 H ALA 2 H ALA 2 -14.814 -8.370 -25.154
13 HA ALA 2 HA ALA 2 -15.457 -9.141 -23.121
14 HB1 ALA 2 1HB ALA 2 -13.744 -10.209 -21.754
15 HB2 ALA 2 2HB ALA 2 -12.484 -9.391 -22.679
16 HB3 ALA 2 3HB ALA 2 -13.517 -10.586 -23.461
17 H THR 3 H THR 3 -16.285 -7.005 -22.590
18 HA THR 3 HA THR 3 -14.632 -5.588 -20.624
19 HB THR 3 HB THR 3 -15.323 -4.114 -22.383
20 HG1 THR 3 HG1 THR 3 -15.460 -3.372 -20.137
21 HG21 THR 3 1HG2 THR 3 -18.162 -4.930 -21.768
22 HG22 THR 3 2HG2 THR 3 -17.253 -5.362 -23.216
23 HG23 THR 3 3HG2 THR 3 -17.673 -3.677 -22.907
24 H LYS 4 H LYS 4 -15.068 -5.814 -18.576
25 HA LYS 4 HA LYS 4 -17.770 -6.663 -17.772
26 HB2 LYS 4 1HB LYS 4 -16.063 -8.403 -17.404
27 HB3 LYS 4 2HB LYS 4 -15.126 -7.275 -16.436
28 HG2 LYS 4 1HG LYS 4 -16.858 -7.202 -14.760
29 HG3 LYS 4 2HG LYS 4 -17.906 -8.216 -15.755
30 HD2 LYS 4 1HD LYS 4 -16.856 -9.547 -14.015
31 HD3 LYS 4 2HD LYS 4 -16.262 -10.038 -15.600
32 HE2 LYS 4 1HE LYS 4 -14.255 -8.639 -15.241
33 HE3 LYS 4 2HE LYS 4 -14.844 -8.255 -13.625
34 HZ1 LYS 4 1HZ LYS 4 -14.755 -10.620 -13.089
35 HZ2 LYS 4 2HZ LYS 4 -13.236 -10.033 -13.540
36 HZ3 LYS 4 3HZ LYS 4 -14.143 -10.958 -14.627
37 H HIS 5 H HIS 5 -18.602 -4.660 -17.369
38 HA HIS 5 HA HIS 5 -17.168 -2.849 -15.587
39 HB2 HIS 5 1HB HIS 5 -18.334 -1.982 -17.631
40 HB3 HIS 5 2HB HIS 5 -19.864 -2.472 -16.915
41 HD1 HIS 5 HD1 HIS 5 -21.033 -0.684 -15.679
42 HD2 HIS 5 HD2 HIS 5 -16.932 -0.019 -15.836
43 HE1 HIS 5 HE1 HIS 5 -20.668 1.550 -14.587
44 HE2 HIS 5 HE2 HIS 5 -18.208 2.009 -14.863
45 H GLY 6 H GLY 6 -17.388 -4.646 -13.954
46 HA2 GLY 6 1HA GLY 6 -20.020 -5.069 -12.841
47 HA3 GLY 6 2HA GLY 6 -18.508 -5.737 -12.240
48 H LYS 7 H LYS 7 -20.584 -4.629 -10.647
49 HA LYS 7 HA LYS 7 -19.695 -2.006 -9.830
50 HB2 LYS 7 1HB LYS 7 -22.107 -2.799 -9.792
51 HB3 LYS 7 2HB LYS 7 -21.669 -3.804 -8.419
52 HG2 LYS 7 1HG LYS 7 -22.713 -1.776 -7.659
53 HG3 LYS 7 2HG LYS 7 -21.019 -1.791 -7.175
54 HD2 LYS 7 1HD LYS 7 -20.458 -0.324 -9.039
55 HD3 LYS 7 2HD LYS 7 -22.139 -0.335 -9.572
56 HE2 LYS 7 1HE LYS 7 -21.184 0.681 -6.898
57 HE3 LYS 7 2HE LYS 7 -21.510 1.699 -8.299
58 HZ1 LYS 7 1HZ LYS 7 -23.800 1.033 -8.250
59 HZ2 LYS 7 2HZ LYS 7 -23.369 1.603 -6.719
60 HZ3 LYS 7 3HZ LYS 7 -23.512 -0.057 -6.991
61 H ASN 8 H ASN 8 -18.234 -4.724 -9.584
62 HA ASN 8 HA ASN 8 -17.368 -4.352 -6.798
63 HB2 ASN 8 1HB ASN 8 -16.718 -6.674 -6.738
64 HB3 ASN 8 2HB ASN 8 -18.378 -6.576 -7.318
65 HD21 ASN 8 1HD2 ASN 8 -18.838 -7.124 -9.443
66 HD22 ASN 8 2HD2 ASN 8 -17.702 -7.961 -10.446
67 H SER 9 H SER 9 -16.435 -4.412 -10.109
68 HA SER 9 HA SER 9 -13.762 -4.735 -10.169
69 HB2 SER 9 1HB SER 9 -15.227 -2.530 -11.624
70 HB3 SER 9 2HB SER 9 -13.750 -3.348 -12.136
71 HG SER 9 HG SER 9 -14.904 -4.930 -12.898
72 H TRP 10 H TRP 10 -15.424 -1.745 -9.157
73 HA TRP 10 HA TRP 10 -13.168 -0.106 -8.978
74 HB2 TRP 10 1HB TRP 10 -14.528 1.420 -7.786
75 HB3 TRP 10 2HB TRP 10 -15.656 0.564 -8.830
76 HD1 TRP 10 HD1 TRP 10 -17.523 -0.907 -7.658
77 HE1 TRP 10 HE1 TRP 10 -18.279 -1.181 -5.216
78 HE3 TRP 10 HE3 TRP 10 -13.586 1.371 -5.350
79 HZ2 TRP 10 HZ2 TRP 10 -17.326 -0.515 -2.641
80 HZ3 TRP 10 HZ3 TRP 10 -13.582 1.515 -2.887
81 HH2 TRP 10 HH2 TRP 10 -15.410 0.582 -1.565
82 H LYS 11 H LYS 11 -14.521 -2.530 -6.956
83 HA LYS 11 HA LYS 11 -13.074 -1.781 -4.583
84 HB2 LYS 11 1HB LYS 11 -15.426 -2.980 -4.916
85 HB3 LYS 11 2HB LYS 11 -14.420 -4.421 -4.906
86 HG2 LYS 11 1HG LYS 11 -13.519 -2.925 -2.766
87 HG3 LYS 11 2HG LYS 11 -15.266 -2.740 -2.752
88 HD2 LYS 11 1HD LYS 11 -14.597 -4.653 -1.402
89 HD3 LYS 11 2HD LYS 11 -15.529 -5.173 -2.807
90 HE2 LYS 11 1HE LYS 11 -13.446 -5.750 -3.970
91 HE3 LYS 11 2HE LYS 11 -12.523 -5.217 -2.567
92 HZ1 LYS 11 1HZ LYS 11 -12.827 -7.640 -2.653
93 HZ2 LYS 11 2HZ LYS 11 -14.501 -7.429 -2.538
94 HZ3 LYS 11 3HZ LYS 11 -13.500 -6.960 -1.260
95 H THR 12 H THR 12 -12.903 -3.963 -7.228
96 HA THR 12 HA THR 12 -10.792 -5.595 -6.299
97 HB THR 12 HB THR 12 -11.168 -5.021 -9.208
98 HG1 THR 12 HG1 THR 12 -13.019 -6.271 -7.446
99 HG21 THR 12 1HG2 THR 12 -10.753 -7.394 -9.374
100 HG22 THR 12 2HG2 THR 12 -10.808 -7.545 -7.614
101 HG23 THR 12 3HG2 THR 12 -9.497 -6.639 -8.379
102 H LEU 13 H LEU 13 -11.006 -2.530 -7.998
103 HA LEU 13 HA LEU 13 -8.227 -2.145 -8.449
104 HB2 LEU 13 1HB LEU 13 -9.966 0.161 -7.672
105 HB3 LEU 13 2HB LEU 13 -8.731 0.088 -8.911
106 HG LEU 13 HG LEU 13 -11.533 -0.946 -9.034
107 HD11 LEU 13 1HD1 LEU 13 -10.113 1.240 -10.542
108 HD12 LEU 13 2HD1 LEU 13 -11.321 1.453 -9.276
109 HD13 LEU 13 3HD1 LEU 13 -11.774 0.716 -10.811
110 HD21 LEU 13 1HD2 LEU 13 -10.042 -2.483 -10.233
111 HD22 LEU 13 2HD2 LEU 13 -9.346 -1.130 -11.123
112 HD23 LEU 13 3HD2 LEU 13 -11.036 -1.570 -11.366
113 H TYR 14 H TYR 14 -10.282 -2.038 -5.763
114 HA TYR 14 HA TYR 14 -8.854 0.008 -4.349
115 HB2 TYR 14 1HB TYR 14 -11.430 -0.429 -4.595
116 HB3 TYR 14 2HB TYR 14 -11.150 -1.498 -3.224
117 HD1 TYR 14 HD1 TYR 14 -10.564 -0.639 -1.080
118 HD2 TYR 14 HD2 TYR 14 -11.103 1.917 -4.428
119 HE1 TYR 14 HE1 TYR 14 -10.592 1.278 0.430
120 HE2 TYR 14 HE2 TYR 14 -11.148 3.876 -2.922
121 HH TYR 14 HH TYR 14 -10.152 3.752 0.292
122 H LEU 15 H LEU 15 -9.861 -3.336 -3.758
123 HA LEU 15 HA LEU 15 -8.393 -3.624 -1.363
124 HB2 LEU 15 1HB LEU 15 -8.876 -5.933 -1.523
125 HB3 LEU 15 2HB LEU 15 -10.248 -5.123 -2.257
126 HG LEU 15 HG LEU 15 -8.567 -5.593 -4.402
127 HD11 LEU 15 1HD1 LEU 15 -8.553 -8.008 -2.599
128 HD12 LEU 15 2HD1 LEU 15 -7.151 -7.040 -3.056
129 HD13 LEU 15 3HD1 LEU 15 -8.017 -7.969 -4.279
130 HD21 LEU 15 1HD2 LEU 15 -10.877 -7.235 -3.396
131 HD22 LEU 15 2HD2 LEU 15 -10.243 -7.249 -5.042
132 HD23 LEU 15 3HD2 LEU 15 -10.980 -5.780 -4.390
133 H LYS 16 H LYS 16 -7.598 -3.611 -4.687
134 HA LYS 16 HA LYS 16 -5.027 -4.840 -4.457
135 HB2 LYS 16 1HB LYS 16 -6.277 -4.864 -6.597
136 HB3 LYS 16 2HB LYS 16 -6.208 -3.112 -6.645
137 HG2 LYS 16 1HG LYS 16 -3.690 -4.721 -6.529
138 HG3 LYS 16 2HG LYS 16 -4.534 -4.466 -8.056
139 HD2 LYS 16 1HD LYS 16 -3.843 -2.166 -6.247
140 HD3 LYS 16 2HD LYS 16 -2.661 -2.817 -7.400
141 HE2 LYS 16 1HE LYS 16 -4.443 -2.504 -9.182
142 HE3 LYS 16 2HE LYS 16 -5.343 -1.579 -7.983
143 HZ1 LYS 16 1HZ LYS 16 -3.500 -0.040 -7.827
144 HZ2 LYS 16 2HZ LYS 16 -4.015 -0.163 -9.433
145 HZ3 LYS 16 3HZ LYS 16 -2.604 -0.945 -8.937
146 H ILE 17 H ILE 17 -6.402 -1.649 -4.856
147 HA ILE 17 HA ILE 17 -4.182 -0.036 -4.982
148 HB ILE 17 HB ILE 17 -6.924 0.316 -4.882
149 HG12 ILE 17 1HG1 ILE 17 -6.224 2.815 -5.085
150 HG13 ILE 17 2HG1 ILE 17 -4.583 2.171 -5.024
151 HG21 ILE 17 1HG2 ILE 17 -7.339 2.095 -3.233
152 HG22 ILE 17 2HG2 ILE 17 -5.738 1.825 -2.544
153 HG23 ILE 17 3HG2 ILE 17 -6.959 0.556 -2.460
154 HD11 ILE 17 1HD1 ILE 17 -6.705 1.387 -7.010
155 HD12 ILE 17 2HD1 ILE 17 -5.050 0.778 -6.963
156 HD13 ILE 17 3HD1 ILE 17 -5.355 2.480 -7.324
157 H SER 18 H SER 18 -5.711 -1.461 -2.238
158 HA SER 18 HA SER 18 -4.186 0.187 -0.426
159 HB2 SER 18 1HB SER 18 -6.581 -0.436 0.042
160 HB3 SER 18 2HB SER 18 -6.055 -2.104 0.251
161 HG SER 18 HG SER 18 -5.856 -1.453 2.257
162 H PHE 19 H PHE 19 -4.294 -2.993 -1.723
163 HA PHE 19 HA PHE 19 -2.582 -4.387 -0.025
164 HB2 PHE 19 1HB PHE 19 -3.568 -5.865 -1.437
165 HB3 PHE 19 2HB PHE 19 -3.681 -4.676 -2.736
166 HD1 PHE 19 HD1 PHE 19 -1.220 -6.882 -1.001
167 HD2 PHE 19 HD2 PHE 19 -2.315 -4.815 -4.554
168 HE1 PHE 19 HE1 PHE 19 0.678 -7.903 -2.177
169 HE2 PHE 19 HE2 PHE 19 -0.431 -5.817 -5.738
170 HZ PHE 19 HZ PHE 19 1.076 -7.383 -4.558
171 H LEU 20 H LEU 20 -1.733 -2.894 -3.200
172 HA LEU 20 HA LEU 20 1.053 -3.377 -2.640
173 HB2 LEU 20 1HB LEU 20 1.583 -2.430 -4.714
174 HB3 LEU 20 2HB LEU 20 0.051 -3.233 -4.971
175 HG LEU 20 HG LEU 20 0.432 -0.262 -4.613
176 HD11 LEU 20 1HD1 LEU 20 1.293 -1.071 -6.742
177 HD12 LEU 20 2HD1 LEU 20 -0.186 -0.143 -6.978
178 HD13 LEU 20 3HD1 LEU 20 -0.227 -1.905 -7.052
179 HD21 LEU 20 1HD2 LEU 20 -1.700 -0.675 -3.810
180 HD22 LEU 20 2HD2 LEU 20 -1.971 -1.998 -4.958
181 HD23 LEU 20 3HD2 LEU 20 -1.972 -0.322 -5.520
182 H GLY 21 H GLY 21 -1.225 -0.958 -2.025
183 HA2 GLY 21 1HA GLY 21 0.505 1.206 -1.423
184 HA3 GLY 21 2HA GLY 21 -1.170 1.009 -0.921
185 H CYS 22 H CYS 22 -0.000 -1.725 0.089
186 HA CYS 22 HA CYS 22 0.440 -0.903 2.831
187 HB2 CYS 22 1HB CYS 22 0.390 -3.623 1.489
188 HB3 CYS 22 2HB CYS 22 0.701 -3.380 3.198
189 HG CYS 22 HG CYS 22 -2.222 -2.569 1.620
190 H LYS 23 H LYS 23 2.000 -2.734 0.320
191 HA LYS 23 HA LYS 23 4.543 -3.037 1.348
192 HB2 LYS 23 1HB LYS 23 3.575 -2.540 -1.428
193 HB3 LYS 23 2HB LYS 23 5.222 -3.030 -1.058
194 HG2 LYS 23 1HG LYS 23 4.407 -5.120 -0.101
195 HG3 LYS 23 2HG LYS 23 2.745 -4.626 -0.425
196 HD2 LYS 23 1HD LYS 23 3.127 -4.681 -2.791
197 HD3 LYS 23 2HD LYS 23 4.855 -4.962 -2.550
198 HE2 LYS 23 1HE LYS 23 2.630 -6.833 -1.745
199 HE3 LYS 23 2HE LYS 23 3.677 -7.027 -3.148
200 HZ1 LYS 23 1HZ LYS 23 5.575 -7.165 -1.626
201 HZ2 LYS 23 2HZ LYS 23 4.452 -8.395 -1.348
202 HZ3 LYS 23 3HZ LYS 23 4.528 -7.070 -0.303
203 H VAL 24 H VAL 24 3.040 -0.442 -0.353
204 HA VAL 24 HA VAL 24 5.431 1.134 -0.420
205 HB VAL 24 HB VAL 24 2.612 1.916 -1.061
206 HG11 VAL 24 1HG1 VAL 24 4.018 3.849 -0.582
207 HG12 VAL 24 2HG1 VAL 24 3.601 3.779 -2.295
208 HG13 VAL 24 3HG1 VAL 24 5.203 3.276 -1.755
209 HG21 VAL 24 1HG2 VAL 24 3.208 1.521 -3.373
210 HG22 VAL 24 2HG2 VAL 24 3.492 0.062 -2.413
211 HG23 VAL 24 3HG2 VAL 24 4.848 1.086 -2.888
212 H VAL 25 H VAL 25 2.724 0.668 1.611
213 HA VAL 25 HA VAL 25 2.990 3.031 3.171
214 HB VAL 25 HB VAL 25 1.629 0.450 3.527
215 HG11 VAL 25 1HG1 VAL 25 2.597 1.940 5.971
216 HG12 VAL 25 2HG1 VAL 25 3.057 0.301 5.505
217 HG13 VAL 25 3HG1 VAL 25 1.391 0.651 5.968
218 HG21 VAL 25 1HG2 VAL 25 -0.029 1.953 4.562
219 HG22 VAL 25 2HG2 VAL 25 0.471 2.456 2.946
220 HG23 VAL 25 3HG2 VAL 25 1.120 3.279 4.371
221 H ALA 26 H ALA 26 4.599 -0.039 3.062
222 HA ALA 26 HA ALA 26 6.094 0.249 5.414
223 HB1 ALA 26 1HB ALA 26 5.832 -1.902 4.292
224 HB2 ALA 26 2HB ALA 26 7.535 -1.506 4.517
225 HB3 ALA 26 3HB ALA 26 6.787 -1.313 2.933
226 H LEU 27 H LEU 27 6.554 1.519 2.154
227 HA LEU 27 HA LEU 27 9.176 2.485 2.982
228 HB2 LEU 27 1HB LEU 27 9.501 3.243 0.719
229 HB3 LEU 27 2HB LEU 27 8.987 1.570 0.752
230 HG LEU 27 HG LEU 27 6.609 2.631 0.317
231 HD11 LEU 27 1HD1 LEU 27 8.481 4.695 -0.836
232 HD12 LEU 27 2HD1 LEU 27 7.338 4.952 0.481
233 HD13 LEU 27 3HD1 LEU 27 6.747 4.587 -1.140
234 HD21 LEU 27 1HD2 LEU 27 8.749 2.314 -1.781
235 HD22 LEU 27 2HD2 LEU 27 7.013 2.336 -2.087
236 HD23 LEU 27 3HD2 LEU 27 7.724 1.037 -1.130
237 H LEU 28 H LEU 28 5.957 3.614 2.640
238 HA LEU 28 HA LEU 28 6.652 6.413 2.551
239 HB2 LEU 28 1HB LEU 28 4.788 6.002 1.298
240 HB3 LEU 28 2HB LEU 28 4.196 4.761 2.381
241 HG LEU 28 HG LEU 28 3.994 7.106 3.856
242 HD11 LEU 28 1HD1 LEU 28 2.735 8.617 2.423
243 HD12 LEU 28 2HD1 LEU 28 3.045 7.576 1.034
244 HD13 LEU 28 3HD1 LEU 28 4.380 8.412 1.824
245 HD21 LEU 28 1HD2 LEU 28 1.911 5.650 2.238
246 HD22 LEU 28 2HD2 LEU 28 1.609 6.693 3.628
247 HD23 LEU 28 3HD2 LEU 28 2.494 5.177 3.836
248 H LYS 29 H LYS 29 4.434 4.677 4.770
249 HA LYS 29 HA LYS 29 5.048 6.590 6.859
250 HB2 LYS 29 1HB LYS 29 3.150 4.248 6.743
251 HB3 LYS 29 2HB LYS 29 3.409 5.191 8.204
252 HG2 LYS 29 1HG LYS 29 2.635 7.199 7.025
253 HG3 LYS 29 2HG LYS 29 2.340 6.220 5.588
254 HD2 LYS 29 1HD LYS 29 0.728 4.868 6.838
255 HD3 LYS 29 2HD LYS 29 1.025 5.842 8.279
256 HE2 LYS 29 1HE LYS 29 -0.102 6.841 5.666
257 HE3 LYS 29 2HE LYS 29 -1.025 6.530 7.134
258 HZ1 LYS 29 1HZ LYS 29 0.324 8.234 8.251
259 HZ2 LYS 29 2HZ LYS 29 -0.555 8.859 6.949
260 HZ3 LYS 29 3HZ LYS 29 1.102 8.571 6.786
261 H ARG 30 H ARG 30 5.644 3.356 5.962
262 HA ARG 30 HA ARG 30 7.183 1.839 6.560
263 HB2 ARG 30 1HB ARG 30 8.307 4.051 8.289
264 HB3 ARG 30 2HB ARG 30 9.088 2.497 8.027
265 HG2 ARG 30 1HG ARG 30 9.195 2.986 5.615
266 HG3 ARG 30 2HG ARG 30 8.481 4.568 5.926
267 HD2 ARG 30 1HD ARG 30 11.071 3.584 7.111
268 HD3 ARG 30 2HD ARG 30 10.946 4.621 5.690
269 HE ARG 30 HE ARG 30 9.549 5.756 7.876
270 HH11 ARG 30 1HH1 ARG 30 12.771 5.203 6.653
271 HH12 ARG 30 2HH1 ARG 30 13.453 6.578 7.459
272 HH21 ARG 30 1HH2 ARG 30 10.434 7.574 8.944
273 HH22 ARG 30 2HH2 ARG 30 12.125 7.926 8.770
Start of MODEL 3
1 H1 MET 1 1H MET 1 -16.813 -16.222 -15.413
2 H2 MET 1 2H MET 1 -16.178 -14.905 -16.259
3 H3 MET 1 3H MET 1 -17.069 -16.083 -17.079
4 HA MET 1 HA MET 1 -19.047 -15.487 -15.863
5 HB2 MET 1 1HB MET 1 -17.918 -14.708 -13.821
6 HB3 MET 1 2HB MET 1 -17.280 -13.326 -14.696
7 HG2 MET 1 1HG MET 1 -19.564 -12.523 -15.071
8 HG3 MET 1 2HG MET 1 -20.183 -13.897 -14.157
9 HE1 MET 1 1HE MET 1 -20.877 -10.833 -13.529
10 HE2 MET 1 2HE MET 1 -20.790 -10.840 -11.769
11 HE3 MET 1 3HE MET 1 -21.539 -12.191 -12.619
12 H ALA 2 H ALA 2 -20.135 -14.848 -17.596
13 HA ALA 2 HA ALA 2 -19.068 -12.929 -19.456
14 HB1 ALA 2 1HB ALA 2 -20.385 -14.848 -20.228
15 HB2 ALA 2 2HB ALA 2 -21.119 -13.321 -20.716
16 HB3 ALA 2 3HB ALA 2 -21.790 -14.227 -19.361
17 H THR 3 H THR 3 -20.953 -11.310 -20.262
18 HA THR 3 HA THR 3 -21.790 -9.245 -19.890
19 HB THR 3 HB THR 3 -23.510 -9.067 -18.032
20 HG1 THR 3 HG1 THR 3 -22.314 -11.226 -17.140
21 HG21 THR 3 1HG2 THR 3 -24.110 -9.624 -20.323
22 HG22 THR 3 2HG2 THR 3 -25.109 -10.524 -19.185
23 HG23 THR 3 3HG2 THR 3 -23.775 -11.326 -20.012
24 H LYS 4 H LYS 4 -19.804 -8.261 -19.473
25 HA LYS 4 HA LYS 4 -18.698 -8.145 -16.829
26 HB2 LYS 4 1HB LYS 4 -17.981 -6.399 -19.184
27 HB3 LYS 4 2HB LYS 4 -16.988 -6.758 -17.782
28 HG2 LYS 4 1HG LYS 4 -17.821 -8.741 -19.887
29 HG3 LYS 4 2HG LYS 4 -16.244 -7.961 -19.771
30 HD2 LYS 4 1HD LYS 4 -15.944 -9.000 -17.543
31 HD3 LYS 4 2HD LYS 4 -17.479 -9.844 -17.763
32 HE2 LYS 4 1HE LYS 4 -16.578 -10.916 -19.781
33 HE3 LYS 4 2HE LYS 4 -15.040 -10.102 -19.514
34 HZ1 LYS 4 1HZ LYS 4 -14.993 -12.370 -18.700
35 HZ2 LYS 4 2HZ LYS 4 -16.304 -12.060 -17.675
36 HZ3 LYS 4 3HZ LYS 4 -14.823 -11.281 -17.416
37 H HIS 5 H HIS 5 -20.903 -7.339 -16.051
38 HA HIS 5 HA HIS 5 -20.680 -4.427 -15.770
39 HB2 HIS 5 1HB HIS 5 -22.483 -4.971 -17.431
40 HB3 HIS 5 2HB HIS 5 -23.315 -5.866 -16.166
41 HD1 HIS 5 HD1 HIS 5 -24.488 -4.492 -14.315
42 HD2 HIS 5 HD2 HIS 5 -22.645 -2.187 -17.241
43 HE1 HIS 5 HE1 HIS 5 -25.367 -2.158 -13.991
44 HE2 HIS 5 HE2 HIS 5 -24.319 -0.803 -15.838
45 H GLY 6 H GLY 6 -19.715 -4.870 -13.765
46 HA2 GLY 6 1HA GLY 6 -21.660 -5.460 -11.666
47 HA3 GLY 6 2HA GLY 6 -20.222 -6.470 -11.735
48 H LYS 7 H LYS 7 -21.189 -4.532 -9.704
49 HA LYS 7 HA LYS 7 -19.262 -2.374 -9.814
50 HB2 LYS 7 1HB LYS 7 -20.230 -1.791 -7.589
51 HB3 LYS 7 2HB LYS 7 -21.367 -1.750 -8.926
52 HG2 LYS 7 1HG LYS 7 -22.045 -4.095 -8.214
53 HG3 LYS 7 2HG LYS 7 -21.131 -3.797 -6.736
54 HD2 LYS 7 1HD LYS 7 -23.426 -2.122 -7.749
55 HD3 LYS 7 2HD LYS 7 -23.529 -3.325 -6.464
56 HE2 LYS 7 1HE LYS 7 -21.935 -2.038 -5.133
57 HE3 LYS 7 2HE LYS 7 -21.824 -0.837 -6.420
58 HZ1 LYS 7 1HZ LYS 7 -23.330 -0.097 -4.708
59 HZ2 LYS 7 2HZ LYS 7 -24.255 -1.504 -4.852
60 HZ3 LYS 7 3HZ LYS 7 -24.199 -0.398 -6.128
61 H ASN 8 H ASN 8 -17.584 -4.079 -9.913
62 HA ASN 8 HA ASN 8 -16.615 -4.722 -7.244
63 HB2 ASN 8 1HB ASN 8 -15.973 -7.042 -8.097
64 HB3 ASN 8 2HB ASN 8 -17.665 -6.760 -7.716
65 HD21 ASN 8 1HD2 ASN 8 -18.429 -8.362 -9.013
66 HD22 ASN 8 2HD2 ASN 8 -18.365 -8.307 -10.741
67 H SER 9 H SER 9 -15.862 -4.608 -10.700
68 HA SER 9 HA SER 9 -13.169 -4.830 -10.738
69 HB2 SER 9 1HB SER 9 -14.553 -4.441 -12.737
70 HB3 SER 9 2HB SER 9 -14.794 -2.767 -12.246
71 HG SER 9 HG SER 9 -12.193 -3.806 -12.573
72 H TRP 10 H TRP 10 -14.951 -1.864 -9.860
73 HA TRP 10 HA TRP 10 -12.750 -0.178 -9.512
74 HB2 TRP 10 1HB TRP 10 -14.223 1.300 -8.387
75 HB3 TRP 10 2HB TRP 10 -15.259 0.437 -9.518
76 HD1 TRP 10 HD1 TRP 10 -17.157 -1.110 -8.490
77 HE1 TRP 10 HE1 TRP 10 -18.058 -1.455 -6.108
78 HE3 TRP 10 HE3 TRP 10 -13.450 1.247 -5.891
79 HZ2 TRP 10 HZ2 TRP 10 -17.293 -0.805 -3.467
80 HZ3 TRP 10 HZ3 TRP 10 -13.611 1.341 -3.433
81 HH2 TRP 10 HH2 TRP 10 -15.489 0.324 -2.252
82 H LYS 11 H LYS 11 -14.162 -2.661 -7.624
83 HA LYS 11 HA LYS 11 -12.941 -1.908 -5.123
84 HB2 LYS 11 1HB LYS 11 -15.233 -3.121 -5.664
85 HB3 LYS 11 2HB LYS 11 -14.222 -4.557 -5.638
86 HG2 LYS 11 1HG LYS 11 -13.479 -3.215 -3.370
87 HG3 LYS 11 2HG LYS 11 -15.211 -2.931 -3.482
88 HD2 LYS 11 1HD LYS 11 -14.807 -4.932 -2.194
89 HD3 LYS 11 2HD LYS 11 -15.572 -5.357 -3.725
90 HE2 LYS 11 1HE LYS 11 -13.344 -5.926 -4.641
91 HE3 LYS 11 2HE LYS 11 -12.635 -5.559 -3.070
92 HZ1 LYS 11 1HZ LYS 11 -13.937 -7.336 -2.095
93 HZ2 LYS 11 2HZ LYS 11 -13.001 -7.937 -3.370
94 HZ3 LYS 11 3HZ LYS 11 -14.656 -7.673 -3.588
95 H THR 12 H THR 12 -12.502 -4.061 -7.770
96 HA THR 12 HA THR 12 -10.441 -5.657 -6.681
97 HB THR 12 HB THR 12 -10.588 -5.070 -9.609
98 HG1 THR 12 HG1 THR 12 -12.611 -6.162 -7.997
99 HG21 THR 12 1HG2 THR 12 -8.952 -6.652 -8.660
100 HG22 THR 12 2HG2 THR 12 -10.110 -7.433 -9.750
101 HG23 THR 12 3HG2 THR 12 -10.295 -7.593 -8.001
102 H LEU 13 H LEU 13 -10.585 -2.583 -8.357
103 HA LEU 13 HA LEU 13 -7.791 -2.123 -8.577
104 HB2 LEU 13 1HB LEU 13 -9.660 0.120 -7.908
105 HB3 LEU 13 2HB LEU 13 -8.327 0.107 -9.045
106 HG LEU 13 HG LEU 13 -11.080 -1.003 -9.407
107 HD11 LEU 13 1HD1 LEU 13 -10.900 1.408 -9.604
108 HD12 LEU 13 2HD1 LEU 13 -11.231 0.676 -11.175
109 HD13 LEU 13 3HD1 LEU 13 -9.603 1.229 -10.784
110 HD21 LEU 13 1HD2 LEU 13 -8.734 -1.100 -11.323
111 HD22 LEU 13 2HD2 LEU 13 -10.385 -1.594 -11.697
112 HD23 LEU 13 3HD2 LEU 13 -9.448 -2.486 -10.499
113 H TYR 14 H TYR 14 -10.051 -2.144 -6.063
114 HA TYR 14 HA TYR 14 -8.812 -0.069 -4.512
115 HB2 TYR 14 1HB TYR 14 -11.338 -0.536 -4.993
116 HB3 TYR 14 2HB TYR 14 -11.170 -1.651 -3.642
117 HD1 TYR 14 HD1 TYR 14 -11.013 1.808 -4.714
118 HD2 TYR 14 HD2 TYR 14 -10.864 -0.876 -1.429
119 HE1 TYR 14 HE1 TYR 14 -11.214 3.716 -3.148
120 HE2 TYR 14 HE2 TYR 14 -11.059 0.982 0.143
121 HH TYR 14 HH TYR 14 -11.960 4.120 -0.810
122 H LEU 15 H LEU 15 -9.791 -3.435 -4.049
123 HA LEU 15 HA LEU 15 -8.510 -3.772 -1.566
124 HB2 LEU 15 1HB LEU 15 -8.843 -6.115 -1.895
125 HB3 LEU 15 2HB LEU 15 -10.227 -5.298 -2.598
126 HG LEU 15 HG LEU 15 -8.542 -5.541 -4.754
127 HD11 LEU 15 1HD1 LEU 15 -6.991 -6.951 -3.535
128 HD12 LEU 15 2HD1 LEU 15 -7.812 -7.876 -4.792
129 HD13 LEU 15 3HD1 LEU 15 -8.299 -8.051 -3.106
130 HD21 LEU 15 1HD2 LEU 15 -10.732 -7.385 -3.820
131 HD22 LEU 15 2HD2 LEU 15 -10.082 -7.333 -5.458
132 HD23 LEU 15 3HD2 LEU 15 -10.912 -5.921 -4.794
133 H LYS 16 H LYS 16 -7.453 -3.657 -4.823
134 HA LYS 16 HA LYS 16 -4.855 -4.785 -4.408
135 HB2 LYS 16 1HB LYS 16 -5.903 -4.840 -6.635
136 HB3 LYS 16 2HB LYS 16 -5.971 -3.087 -6.652
137 HG2 LYS 16 1HG LYS 16 -3.339 -4.462 -6.353
138 HG3 LYS 16 2HG LYS 16 -4.090 -4.315 -7.940
139 HD2 LYS 16 1HD LYS 16 -3.726 -1.941 -6.127
140 HD3 LYS 16 2HD LYS 16 -2.444 -2.480 -7.230
141 HE2 LYS 16 1HE LYS 16 -4.234 -2.367 -9.064
142 HE3 LYS 16 2HE LYS 16 -5.187 -1.450 -7.900
143 HZ1 LYS 16 1HZ LYS 16 -2.500 -0.718 -8.926
144 HZ2 LYS 16 2HZ LYS 16 -3.361 0.155 -7.762
145 HZ3 LYS 16 3HZ LYS 16 -3.963 0.024 -9.336
146 H ILE 17 H ILE 17 -6.327 -1.637 -4.811
147 HA ILE 17 HA ILE 17 -4.149 0.042 -4.799
148 HB ILE 17 HB ILE 17 -6.893 0.326 -4.854
149 HG12 ILE 17 1HG1 ILE 17 -6.285 2.820 -5.012
150 HG13 ILE 17 2HG1 ILE 17 -4.625 2.284 -4.749
151 HG21 ILE 17 1HG2 ILE 17 -7.054 0.493 -2.415
152 HG22 ILE 17 2HG2 ILE 17 -7.482 2.019 -3.189
153 HG23 ILE 17 3HG2 ILE 17 -5.904 1.832 -2.423
154 HD11 ILE 17 1HD1 ILE 17 -6.432 1.344 -6.966
155 HD12 ILE 17 2HD1 ILE 17 -4.746 0.884 -6.722
156 HD13 ILE 17 3HD1 ILE 17 -5.155 2.552 -7.128
157 H SER 18 H SER 18 -5.773 -1.496 -2.182
158 HA SER 18 HA SER 18 -4.432 0.152 -0.230
159 HB2 SER 18 1HB SER 18 -6.219 -2.251 0.252
160 HB3 SER 18 2HB SER 18 -5.790 -0.999 1.413
161 HG SER 18 HG SER 18 -7.382 -0.712 -0.923
162 H PHE 19 H PHE 19 -4.377 -3.020 -1.573
163 HA PHE 19 HA PHE 19 -2.651 -4.385 0.117
164 HB2 PHE 19 1HB PHE 19 -3.510 -5.857 -1.378
165 HB3 PHE 19 2HB PHE 19 -3.667 -4.619 -2.623
166 HD1 PHE 19 HD1 PHE 19 -2.348 -4.713 -4.465
167 HD2 PHE 19 HD2 PHE 19 -1.038 -6.673 -0.925
168 HE1 PHE 19 HE1 PHE 19 -0.400 -5.558 -5.671
169 HE2 PHE 19 HE2 PHE 19 0.915 -7.543 -2.124
170 HZ PHE 19 HZ PHE 19 1.242 -6.997 -4.507
171 H LEU 20 H LEU 20 -1.739 -2.805 -2.999
172 HA LEU 20 HA LEU 20 1.030 -3.195 -2.355
173 HB2 LEU 20 1HB LEU 20 1.581 -2.280 -4.408
174 HB3 LEU 20 2HB LEU 20 0.011 -2.988 -4.714
175 HG LEU 20 HG LEU 20 0.468 -0.059 -4.165
176 HD11 LEU 20 1HD1 LEU 20 0.104 0.258 -6.558
177 HD12 LEU 20 2HD1 LEU 20 0.034 -1.489 -6.782
178 HD13 LEU 20 3HD1 LEU 20 1.534 -0.727 -6.255
179 HD21 LEU 20 1HD2 LEU 20 -1.734 -0.498 -3.603
180 HD22 LEU 20 2HD2 LEU 20 -1.909 -1.719 -4.875
181 HD23 LEU 20 3HD2 LEU 20 -1.838 -0.003 -5.298
182 H GLY 21 H GLY 21 -1.340 -0.832 -1.790
183 HA2 GLY 21 1HA GLY 21 0.300 1.380 -1.167
184 HA3 GLY 21 2HA GLY 21 -1.352 1.103 -0.634
185 H CYS 22 H CYS 22 -0.117 -1.569 0.340
186 HA CYS 22 HA CYS 22 0.486 -0.757 3.057
187 HB2 CYS 22 1HB CYS 22 0.294 -3.458 1.700
188 HB3 CYS 22 2HB CYS 22 0.705 -3.237 3.391
189 HG CYS 22 HG CYS 22 -2.249 -2.115 2.093
190 H LYS 23 H LYS 23 1.853 -2.588 0.445
191 HA LYS 23 HA LYS 23 4.450 -2.967 1.289
192 HB2 LYS 23 1HB LYS 23 3.338 -2.387 -1.424
193 HB3 LYS 23 2HB LYS 23 4.946 -3.032 -1.135
194 HG2 LYS 23 1HG LYS 23 3.961 -5.038 -0.127
195 HG3 LYS 23 2HG LYS 23 2.350 -4.385 -0.414
196 HD2 LYS 23 1HD LYS 23 2.927 -6.012 -2.124
197 HD3 LYS 23 2HD LYS 23 2.789 -4.400 -2.829
198 HE2 LYS 23 1HE LYS 23 4.728 -5.645 -3.687
199 HE3 LYS 23 2HE LYS 23 5.189 -4.162 -2.855
200 HZ1 LYS 23 1HZ LYS 23 5.261 -6.873 -1.639
201 HZ2 LYS 23 2HZ LYS 23 5.804 -5.438 -0.925
202 HZ3 LYS 23 3HZ LYS 23 6.602 -6.065 -2.278
203 H VAL 24 H VAL 24 2.901 -0.344 -0.306
204 HA VAL 24 HA VAL 24 5.305 1.200 -0.527
205 HB VAL 24 HB VAL 24 2.462 2.009 -0.998
206 HG11 VAL 24 1HG1 VAL 24 3.864 3.940 -0.605
207 HG12 VAL 24 2HG1 VAL 24 3.413 3.854 -2.308
208 HG13 VAL 24 3HG1 VAL 24 5.024 3.358 -1.794
209 HG21 VAL 24 1HG2 VAL 24 2.894 1.604 -3.334
210 HG22 VAL 24 2HG2 VAL 24 3.275 0.148 -2.406
211 HG23 VAL 24 3HG2 VAL 24 4.573 1.199 -2.977
212 H VAL 25 H VAL 25 2.685 0.803 1.646
213 HA VAL 25 HA VAL 25 3.129 3.114 3.228
214 HB VAL 25 HB VAL 25 1.725 0.564 3.625
215 HG11 VAL 25 1HG1 VAL 25 2.898 1.966 6.031
216 HG12 VAL 25 2HG1 VAL 25 3.288 0.333 5.490
217 HG13 VAL 25 3HG1 VAL 25 1.666 0.703 6.076
218 HG21 VAL 25 1HG2 VAL 25 0.191 2.087 4.821
219 HG22 VAL 25 2HG2 VAL 25 0.572 2.600 3.179
220 HG23 VAL 25 3HG2 VAL 25 1.353 3.387 4.557
221 H ALA 26 H ALA 26 4.622 -0.024 3.005
222 HA ALA 26 HA ALA 26 6.289 0.199 5.239
223 HB1 ALA 26 1HB ALA 26 7.601 -1.595 4.246
224 HB2 ALA 26 2HB ALA 26 6.782 -1.349 2.704
225 HB3 ALA 26 3HB ALA 26 5.874 -1.924 4.102
226 H LEU 27 H LEU 27 6.578 1.502 1.976
227 HA LEU 27 HA LEU 27 9.284 2.364 2.632
228 HB2 LEU 27 1HB LEU 27 9.464 3.178 0.376
229 HB3 LEU 27 2HB LEU 27 8.872 1.532 0.394
230 HG LEU 27 HG LEU 27 6.524 2.691 0.165
231 HD11 LEU 27 1HD1 LEU 27 6.624 4.718 -1.197
232 HD12 LEU 27 2HD1 LEU 27 8.375 4.764 -0.996
233 HD13 LEU 27 3HD1 LEU 27 7.323 4.977 0.402
234 HD21 LEU 27 1HD2 LEU 27 6.749 2.518 -2.271
235 HD22 LEU 27 2HD2 LEU 27 7.492 1.151 -1.442
236 HD23 LEU 27 3HD2 LEU 27 8.501 2.440 -2.095
237 H LEU 28 H LEU 28 6.084 3.611 2.567
238 HA LEU 28 HA LEU 28 6.879 6.388 2.555
239 HB2 LEU 28 1HB LEU 28 4.932 6.089 1.397
240 HB3 LEU 28 2HB LEU 28 4.360 4.827 2.464
241 HG LEU 28 HG LEU 28 4.318 7.109 4.041
242 HD11 LEU 28 1HD1 LEU 28 3.028 8.717 2.733
243 HD12 LEU 28 2HD1 LEU 28 3.270 7.739 1.286
244 HD13 LEU 28 3HD1 LEU 28 4.649 8.506 2.073
245 HD21 LEU 28 1HD2 LEU 28 2.108 5.791 2.473
246 HD22 LEU 28 2HD2 LEU 28 1.905 6.802 3.905
247 HD23 LEU 28 3HD2 LEU 28 2.740 5.249 4.028
248 H LYS 29 H LYS 29 4.728 4.642 4.825
249 HA LYS 29 HA LYS 29 5.560 6.415 6.969
250 HB2 LYS 29 1HB LYS 29 3.488 4.225 6.828
251 HB3 LYS 29 2HB LYS 29 3.856 5.106 8.305
252 HG2 LYS 29 1HG LYS 29 3.140 7.171 7.327
253 HG3 LYS 29 2HG LYS 29 2.938 6.405 5.753
254 HD2 LYS 29 1HD LYS 29 1.172 4.975 6.703
255 HD3 LYS 29 2HD LYS 29 1.357 5.804 8.251
256 HE2 LYS 29 1HE LYS 29 0.718 7.914 7.220
257 HE3 LYS 29 2HE LYS 29 0.593 7.127 5.648
258 HZ1 LYS 29 1HZ LYS 29 -1.573 7.395 6.642
259 HZ2 LYS 29 2HZ LYS 29 -1.090 6.551 8.024
260 HZ3 LYS 29 3HZ LYS 29 -1.195 5.750 6.539
261 H ARG 30 H ARG 30 5.968 3.231 5.846
262 HA ARG 30 HA ARG 30 7.540 1.672 6.229
263 HB2 ARG 30 1HB ARG 30 8.658 3.665 8.202
264 HB3 ARG 30 2HB ARG 30 9.428 2.135 7.807
265 HG2 ARG 30 1HG ARG 30 9.690 2.827 5.499
266 HG3 ARG 30 2HG ARG 30 8.838 4.335 5.836
267 HD2 ARG 30 1HD ARG 30 10.585 5.045 7.328
268 HD3 ARG 30 2HD ARG 30 11.401 3.491 7.174
269 HE ARG 30 HE ARG 30 11.230 4.471 4.616
270 HH11 ARG 30 1HH1 ARG 30 12.577 5.617 7.633
271 HH12 ARG 30 2HH1 ARG 30 13.895 6.454 6.879
272 HH21 ARG 30 1HH2 ARG 30 12.954 5.585 3.608
273 HH22 ARG 30 2HH2 ARG 30 14.104 6.444 4.583
Start of MODEL 4
1 H1 MET 1 1H MET 1 -13.623 -17.250 -10.100
2 H2 MET 1 2H MET 1 -14.696 -16.342 -11.037
3 H3 MET 1 3H MET 1 -14.818 -18.025 -11.006
4 HA MET 1 HA MET 1 -15.444 -18.004 -8.708
5 HB2 MET 1 1HB MET 1 -15.117 -15.017 -8.998
6 HB3 MET 1 2HB MET 1 -15.961 -15.773 -7.655
7 HG2 MET 1 1HG MET 1 -13.897 -16.972 -7.064
8 HG3 MET 1 2HG MET 1 -13.062 -16.141 -8.374
9 HE1 MET 1 1HE MET 1 -11.234 -15.385 -6.581
10 HE2 MET 1 2HE MET 1 -12.135 -16.157 -5.277
11 HE3 MET 1 3HE MET 1 -11.615 -14.480 -5.116
12 H ALA 2 H ALA 2 -16.479 -17.588 -11.578
13 HA ALA 2 HA ALA 2 -18.474 -17.598 -12.629
14 HB1 ALA 2 1HB ALA 2 -19.025 -19.281 -10.946
15 HB2 ALA 2 2HB ALA 2 -20.436 -18.322 -11.388
16 HB3 ALA 2 3HB ALA 2 -19.603 -18.014 -9.865
17 H THR 3 H THR 3 -17.393 -15.035 -11.505
18 HA THR 3 HA THR 3 -19.743 -13.464 -10.927
19 HB THR 3 HB THR 3 -16.977 -12.439 -11.588
20 HG1 THR 3 HG1 THR 3 -18.032 -13.624 -9.262
21 HG21 THR 3 1HG2 THR 3 -18.779 -10.765 -11.567
22 HG22 THR 3 2HG2 THR 3 -17.656 -10.525 -10.228
23 HG23 THR 3 3HG2 THR 3 -19.226 -11.275 -9.939
24 H LYS 4 H LYS 4 -21.074 -12.745 -12.436
25 HA LYS 4 HA LYS 4 -20.213 -12.855 -15.227
26 HB2 LYS 4 1HB LYS 4 -22.976 -12.635 -14.030
27 HB3 LYS 4 2HB LYS 4 -22.616 -12.815 -15.742
28 HG2 LYS 4 1HG LYS 4 -21.711 -14.999 -15.390
29 HG3 LYS 4 2HG LYS 4 -21.834 -14.814 -13.638
30 HD2 LYS 4 1HD LYS 4 -24.257 -14.669 -13.825
31 HD3 LYS 4 2HD LYS 4 -24.136 -14.848 -15.575
32 HE2 LYS 4 1HE LYS 4 -24.730 -16.959 -14.439
33 HE3 LYS 4 2HE LYS 4 -23.210 -17.066 -15.326
34 HZ1 LYS 4 1HZ LYS 4 -23.449 -16.625 -12.398
35 HZ2 LYS 4 2HZ LYS 4 -22.008 -16.803 -13.265
36 HZ3 LYS 4 3HZ LYS 4 -23.081 -18.100 -13.135
37 H HIS 5 H HIS 5 -19.024 -10.929 -15.145
38 HA HIS 5 HA HIS 5 -18.646 -8.701 -15.440
39 HB2 HIS 5 1HB HIS 5 -21.411 -8.959 -16.621
40 HB3 HIS 5 2HB HIS 5 -20.491 -7.460 -16.683
41 HD1 HIS 5 HD1 HIS 5 -19.153 -7.178 -18.735
42 HD2 HIS 5 HD2 HIS 5 -19.837 -11.185 -17.879
43 HE1 HIS 5 HE1 HIS 5 -18.148 -8.458 -20.647
44 HE2 HIS 5 HE2 HIS 5 -18.420 -10.877 -20.019
45 H GLY 6 H GLY 6 -18.950 -8.956 -12.919
46 HA2 GLY 6 1HA GLY 6 -21.224 -7.411 -11.947
47 HA3 GLY 6 2HA GLY 6 -20.043 -8.256 -10.960
48 H LYS 7 H LYS 7 -21.033 -5.484 -10.762
49 HA LYS 7 HA LYS 7 -18.817 -3.820 -11.524
50 HB2 LYS 7 1HB LYS 7 -19.915 -2.161 -10.012
51 HB3 LYS 7 2HB LYS 7 -20.850 -2.652 -11.418
52 HG2 LYS 7 1HG LYS 7 -22.155 -4.163 -9.981
53 HG3 LYS 7 2HG LYS 7 -21.217 -3.626 -8.587
54 HD2 LYS 7 1HD LYS 7 -21.999 -1.316 -8.998
55 HD3 LYS 7 2HD LYS 7 -23.002 -1.920 -10.317
56 HE2 LYS 7 1HE LYS 7 -24.333 -1.638 -8.312
57 HE3 LYS 7 2HE LYS 7 -24.209 -3.347 -8.723
58 HZ1 LYS 7 1HZ LYS 7 -23.905 -2.985 -6.358
59 HZ2 LYS 7 2HZ LYS 7 -22.608 -1.944 -6.654
60 HZ3 LYS 7 3HZ LYS 7 -22.482 -3.583 -7.047
61 H ASN 8 H ASN 8 -17.437 -5.476 -10.432
62 HA ASN 8 HA ASN 8 -16.998 -4.725 -7.625
63 HB2 ASN 8 1HB ASN 8 -16.805 -7.404 -8.963
64 HB3 ASN 8 2HB ASN 8 -16.013 -7.077 -7.428
65 HD21 ASN 8 1HD2 ASN 8 -17.208 -8.532 -6.275
66 HD22 ASN 8 2HD2 ASN 8 -18.893 -8.323 -5.938
67 H SER 9 H SER 9 -15.686 -5.090 -10.762
68 HA SER 9 HA SER 9 -13.005 -5.454 -10.343
69 HB2 SER 9 1HB SER 9 -14.294 -3.672 -12.418
70 HB3 SER 9 2HB SER 9 -12.672 -4.360 -12.500
71 HG SER 9 HG SER 9 -14.807 -5.456 -13.432
72 H TRP 10 H TRP 10 -14.849 -2.433 -10.009
73 HA TRP 10 HA TRP 10 -12.689 -0.665 -9.758
74 HB2 TRP 10 1HB TRP 10 -14.228 0.903 -8.882
75 HB3 TRP 10 2HB TRP 10 -15.203 -0.099 -9.950
76 HD1 TRP 10 HD1 TRP 10 -17.149 -1.506 -8.847
77 HE1 TRP 10 HE1 TRP 10 -18.166 -1.588 -6.492
78 HE3 TRP 10 HE3 TRP 10 -13.541 1.102 -6.334
79 HZ2 TRP 10 HZ2 TRP 10 -17.528 -0.665 -3.904
80 HZ3 TRP 10 HZ3 TRP 10 -13.826 1.456 -3.911
81 HH2 TRP 10 HH2 TRP 10 -15.771 0.580 -2.723
82 H LYS 11 H LYS 11 -14.214 -2.909 -7.655
83 HA LYS 11 HA LYS 11 -13.064 -1.914 -5.213
84 HB2 LYS 11 1HB LYS 11 -15.327 -3.217 -5.704
85 HB3 LYS 11 2HB LYS 11 -14.296 -4.621 -5.479
86 HG2 LYS 11 1HG LYS 11 -13.688 -2.948 -3.362
87 HG3 LYS 11 2HG LYS 11 -15.430 -2.832 -3.566
88 HD2 LYS 11 1HD LYS 11 -14.867 -4.620 -2.007
89 HD3 LYS 11 2HD LYS 11 -15.616 -5.270 -3.467
90 HE2 LYS 11 1HE LYS 11 -13.366 -5.807 -4.341
91 HE3 LYS 11 2HE LYS 11 -12.668 -5.218 -2.835
92 HZ1 LYS 11 1HZ LYS 11 -14.571 -7.485 -3.056
93 HZ2 LYS 11 2HZ LYS 11 -13.828 -6.946 -1.638
94 HZ3 LYS 11 3HZ LYS 11 -12.900 -7.636 -2.869
95 H THR 12 H THR 12 -12.502 -4.254 -7.638
96 HA THR 12 HA THR 12 -10.484 -5.755 -6.341
97 HB THR 12 HB THR 12 -10.549 -5.405 -9.313
98 HG1 THR 12 HG1 THR 12 -12.626 -6.261 -7.674
99 HG21 THR 12 1HG2 THR 12 -10.103 -7.793 -9.247
100 HG22 THR 12 2HG2 THR 12 -10.282 -7.787 -7.491
101 HG23 THR 12 3HG2 THR 12 -8.939 -6.921 -8.243
102 H LEU 13 H LEU 13 -10.544 -2.882 -8.386
103 HA LEU 13 HA LEU 13 -7.765 -2.399 -8.514
104 HB2 LEU 13 1HB LEU 13 -9.687 -0.136 -8.112
105 HB3 LEU 13 2HB LEU 13 -8.290 -0.209 -9.167
106 HG LEU 13 HG LEU 13 -11.013 -1.354 -9.589
107 HD11 LEU 13 1HD1 LEU 13 -10.984 0.109 -11.563
108 HD12 LEU 13 2HD1 LEU 13 -9.399 0.706 -11.078
109 HD13 LEU 13 3HD1 LEU 13 -10.803 1.002 -10.054
110 HD21 LEU 13 1HD2 LEU 13 -8.543 -1.722 -11.303
111 HD22 LEU 13 2HD2 LEU 13 -10.180 -2.183 -11.767
112 HD23 LEU 13 3HD2 LEU 13 -9.391 -2.987 -10.412
113 H TYR 14 H TYR 14 -10.084 -2.226 -6.069
114 HA TYR 14 HA TYR 14 -8.905 -0.015 -4.672
115 HB2 TYR 14 1HB TYR 14 -11.410 -0.561 -5.156
116 HB3 TYR 14 2HB TYR 14 -11.257 -1.550 -3.708
117 HD1 TYR 14 HD1 TYR 14 -10.874 -0.556 -1.573
118 HD2 TYR 14 HD2 TYR 14 -11.246 1.777 -5.099
119 HE1 TYR 14 HE1 TYR 14 -11.116 1.431 -0.183
120 HE2 TYR 14 HE2 TYR 14 -11.511 3.815 -3.722
121 HH TYR 14 HH TYR 14 -10.817 3.893 -0.394
122 H LEU 15 H LEU 15 -9.808 -3.364 -4.021
123 HA LEU 15 HA LEU 15 -8.564 -3.472 -1.487
124 HB2 LEU 15 1HB LEU 15 -8.874 -5.847 -1.639
125 HB3 LEU 15 2HB LEU 15 -10.273 -5.076 -2.365
126 HG LEU 15 HG LEU 15 -8.660 -5.451 -4.541
127 HD11 LEU 15 1HD1 LEU 15 -8.336 -7.873 -2.780
128 HD12 LEU 15 2HD1 LEU 15 -7.053 -6.751 -3.234
129 HD13 LEU 15 3HD1 LEU 15 -7.844 -7.734 -4.467
130 HD21 LEU 15 1HD2 LEU 15 -10.181 -7.318 -5.061
131 HD22 LEU 15 2HD2 LEU 15 -11.011 -5.874 -4.476
132 HD23 LEU 15 3HD2 LEU 15 -10.775 -7.256 -3.402
133 H LYS 16 H LYS 16 -7.493 -3.598 -4.738
134 HA LYS 16 HA LYS 16 -4.888 -4.687 -4.223
135 HB2 LYS 16 1HB LYS 16 -5.869 -4.976 -6.434
136 HB3 LYS 16 2HB LYS 16 -6.087 -3.245 -6.601
137 HG2 LYS 16 1HG LYS 16 -3.353 -4.426 -6.282
138 HG3 LYS 16 2HG LYS 16 -4.152 -4.368 -7.854
139 HD2 LYS 16 1HD LYS 16 -3.791 -1.941 -6.097
140 HD3 LYS 16 2HD LYS 16 -2.603 -2.433 -7.318
141 HE2 LYS 16 1HE LYS 16 -5.503 -1.764 -7.838
142 HE3 LYS 16 2HE LYS 16 -4.132 -0.709 -8.168
143 HZ1 LYS 16 1HZ LYS 16 -3.304 -2.364 -9.736
144 HZ2 LYS 16 2HZ LYS 16 -4.851 -1.836 -10.162
145 HZ3 LYS 16 3HZ LYS 16 -4.647 -3.345 -9.433
146 H ILE 17 H ILE 17 -6.402 -1.592 -4.791
147 HA ILE 17 HA ILE 17 -4.249 0.110 -4.930
148 HB ILE 17 HB ILE 17 -6.987 0.377 -4.949
149 HG12 ILE 17 1HG1 ILE 17 -6.423 2.870 -5.184
150 HG13 ILE 17 2HG1 ILE 17 -4.752 2.379 -4.899
151 HG21 ILE 17 1HG2 ILE 17 -7.633 2.036 -3.310
152 HG22 ILE 17 2HG2 ILE 17 -6.021 2.007 -2.591
153 HG23 ILE 17 3HG2 ILE 17 -7.061 0.587 -2.480
154 HD11 ILE 17 1HD1 ILE 17 -4.823 0.928 -6.832
155 HD12 ILE 17 2HD1 ILE 17 -5.283 2.569 -7.290
156 HD13 ILE 17 3HD1 ILE 17 -6.522 1.323 -7.093
157 H SER 18 H SER 18 -5.808 -1.262 -2.176
158 HA SER 18 HA SER 18 -4.318 0.415 -0.359
159 HB2 SER 18 1HB SER 18 -6.257 -1.846 0.219
160 HB3 SER 18 2HB SER 18 -5.608 -0.712 1.399
161 HG SER 18 HG SER 18 -7.435 -0.242 -0.694
162 H PHE 19 H PHE 19 -4.382 -2.783 -1.627
163 HA PHE 19 HA PHE 19 -2.697 -4.157 0.111
164 HB2 PHE 19 1HB PHE 19 -3.609 -5.664 -1.309
165 HB3 PHE 19 2HB PHE 19 -3.761 -4.472 -2.597
166 HD1 PHE 19 HD1 PHE 19 -2.406 -4.546 -4.424
167 HD2 PHE 19 HD2 PHE 19 -1.241 -6.646 -0.914
168 HE1 PHE 19 HE1 PHE 19 -0.508 -5.487 -5.640
169 HE2 PHE 19 HE2 PHE 19 0.667 -7.613 -2.125
170 HZ PHE 19 HZ PHE 19 1.041 -7.041 -4.497
171 H LEU 20 H LEU 20 -1.784 -2.649 -3.040
172 HA LEU 20 HA LEU 20 0.989 -3.122 -2.447
173 HB2 LEU 20 1HB LEU 20 1.526 -2.219 -4.517
174 HB3 LEU 20 2HB LEU 20 -0.057 -2.909 -4.793
175 HG LEU 20 HG LEU 20 0.437 0.015 -4.260
176 HD11 LEU 20 1HD1 LEU 20 0.061 0.340 -6.650
177 HD12 LEU 20 2HD1 LEU 20 -0.038 -1.407 -6.875
178 HD13 LEU 20 3HD1 LEU 20 1.479 -0.669 -6.360
179 HD21 LEU 20 1HD2 LEU 20 -1.877 0.082 -5.393
180 HD22 LEU 20 2HD2 LEU 20 -1.761 -0.365 -3.687
181 HD23 LEU 20 3HD2 LEU 20 -1.965 -1.622 -4.923
182 H GLY 21 H GLY 21 -1.320 -0.702 -1.888
183 HA2 GLY 21 1HA GLY 21 0.366 1.468 -1.248
184 HA3 GLY 21 2HA GLY 21 -1.294 1.222 -0.716
185 H CYS 22 H CYS 22 -0.103 -1.487 0.230
186 HA CYS 22 HA CYS 22 0.535 -0.712 2.945
187 HB2 CYS 22 1HB CYS 22 0.309 -3.418 1.611
188 HB3 CYS 22 2HB CYS 22 0.667 -3.165 3.311
189 HG CYS 22 HG CYS 22 -2.227 -2.064 1.871
190 H LYS 23 H LYS 23 1.879 -2.548 0.287
191 HA LYS 23 HA LYS 23 4.466 -2.951 1.151
192 HB2 LYS 23 1HB LYS 23 3.346 -2.349 -1.548
193 HB3 LYS 23 2HB LYS 23 5.020 -2.829 -1.303
194 HG2 LYS 23 1HG LYS 23 4.234 -4.953 -0.317
195 HG3 LYS 23 2HG LYS 23 2.575 -4.474 -0.678
196 HD2 LYS 23 1HD LYS 23 2.994 -4.500 -3.024
197 HD3 LYS 23 2HD LYS 23 4.730 -4.686 -2.768
198 HE2 LYS 23 1HE LYS 23 2.630 -6.707 -1.992
199 HE3 LYS 23 2HE LYS 23 3.631 -6.789 -3.440
200 HZ1 LYS 23 1HZ LYS 23 5.592 -6.901 -2.028
201 HZ2 LYS 23 2HZ LYS 23 4.527 -8.164 -1.678
202 HZ3 LYS 23 3HZ LYS 23 4.626 -6.833 -0.642
203 H VAL 24 H VAL 24 2.927 -0.268 -0.343
204 HA VAL 24 HA VAL 24 5.346 1.268 -0.506
205 HB VAL 24 HB VAL 24 2.512 2.102 -0.996
206 HG11 VAL 24 1HG1 VAL 24 3.953 4.004 -0.541
207 HG12 VAL 24 2HG1 VAL 24 3.481 3.973 -2.239
208 HG13 VAL 24 3HG1 VAL 24 5.091 3.440 -1.762
209 HG21 VAL 24 1HG2 VAL 24 4.645 1.282 -2.952
210 HG22 VAL 24 2HG2 VAL 24 2.994 1.765 -3.348
211 HG23 VAL 24 3HG2 VAL 24 3.289 0.275 -2.445
212 H VAL 25 H VAL 25 2.744 0.758 1.631
213 HA VAL 25 HA VAL 25 3.100 3.055 3.269
214 HB VAL 25 HB VAL 25 1.693 0.517 3.525
215 HG11 VAL 25 1HG1 VAL 25 3.225 0.092 5.366
216 HG12 VAL 25 2HG1 VAL 25 1.619 0.474 5.986
217 HG13 VAL 25 3HG1 VAL 25 2.893 1.691 6.030
218 HG21 VAL 25 1HG2 VAL 25 0.592 2.618 3.228
219 HG22 VAL 25 2HG2 VAL 25 1.347 3.251 4.698
220 HG23 VAL 25 3HG2 VAL 25 0.156 1.950 4.802
221 H ALA 26 H ALA 26 4.659 -0.021 2.959
222 HA ALA 26 HA ALA 26 6.305 0.133 5.220
223 HB1 ALA 26 1HB ALA 26 6.843 -1.271 2.610
224 HB2 ALA 26 2HB ALA 26 5.959 -1.944 3.979
225 HB3 ALA 26 3HB ALA 26 7.674 -1.567 4.137
226 H LEU 27 H LEU 27 6.603 1.545 1.987
227 HA LEU 27 HA LEU 27 9.267 2.478 2.717
228 HB2 LEU 27 1HB LEU 27 9.491 3.302 0.477
229 HB3 LEU 27 2HB LEU 27 8.929 1.646 0.461
230 HG LEU 27 HG LEU 27 6.566 2.793 0.196
231 HD11 LEU 27 1HD1 LEU 27 7.366 5.082 0.423
232 HD12 LEU 27 2HD1 LEU 27 6.693 4.806 -1.184
233 HD13 LEU 27 3HD1 LEU 27 8.441 4.853 -0.957
234 HD21 LEU 27 1HD2 LEU 27 6.849 2.605 -2.243
235 HD22 LEU 27 2HD2 LEU 27 7.539 1.234 -1.377
236 HD23 LEU 27 3HD2 LEU 27 8.592 2.497 -2.013
237 H LEU 28 H LEU 28 6.035 3.639 2.574
238 HA LEU 28 HA LEU 28 6.762 6.432 2.635
239 HB2 LEU 28 1HB LEU 28 4.849 6.168 1.432
240 HB3 LEU 28 2HB LEU 28 4.285 4.832 2.412
241 HG LEU 28 HG LEU 28 4.170 7.051 4.098
242 HD11 LEU 28 1HD1 LEU 28 4.428 8.523 2.176
243 HD12 LEU 28 2HD1 LEU 28 2.800 8.637 2.843
244 HD13 LEU 28 3HD1 LEU 28 3.084 7.717 1.365
245 HD21 LEU 28 1HD2 LEU 28 1.793 6.622 4.000
246 HD22 LEU 28 2HD2 LEU 28 2.688 5.096 3.988
247 HD23 LEU 28 3HD2 LEU 28 1.993 5.729 2.492
248 H LYS 29 H LYS 29 4.653 4.527 4.827
249 HA LYS 29 HA LYS 29 5.230 6.363 6.989
250 HB2 LYS 29 1HB LYS 29 3.551 3.854 6.870
251 HB3 LYS 29 2HB LYS 29 3.751 4.819 8.323
252 HG2 LYS 29 1HG LYS 29 2.594 5.853 5.750
253 HG3 LYS 29 2HG LYS 29 1.640 5.243 7.099
254 HD2 LYS 29 1HD LYS 29 2.614 6.978 8.544
255 HD3 LYS 29 2HD LYS 29 3.525 7.597 7.165
256 HE2 LYS 29 1HE LYS 29 1.425 8.054 5.992
257 HE3 LYS 29 2HE LYS 29 0.521 7.445 7.376
258 HZ1 LYS 29 1HZ LYS 29 1.461 9.214 8.724
259 HZ2 LYS 29 2HZ LYS 29 0.639 9.852 7.392
260 HZ3 LYS 29 3HZ LYS 29 2.329 9.798 7.396
261 H ARG 30 H ARG 30 5.943 3.182 5.963
262 HA ARG 30 HA ARG 30 7.571 1.720 6.422
263 HB2 ARG 30 1HB ARG 30 8.769 3.977 8.035
264 HB3 ARG 30 2HB ARG 30 9.577 2.449 7.719
265 HG2 ARG 30 1HG ARG 30 9.519 2.908 5.323
266 HG3 ARG 30 2HG ARG 30 8.695 4.436 5.634
267 HD2 ARG 30 1HD ARG 30 11.430 3.698 6.666
268 HD3 ARG 30 2HD ARG 30 11.120 4.701 5.249
269 HE ARG 30 HE ARG 30 9.749 5.807 7.422
270 HH11 ARG 30 1HH1 ARG 30 13.035 5.279 6.355
271 HH12 ARG 30 2HH1 ARG 30 13.662 6.666 7.181
272 HH21 ARG 30 1HH2 ARG 30 10.560 7.631 8.506
273 HH22 ARG 30 2HH2 ARG 30 12.249 8.012 8.408
Start of MODEL 5
1 H1 MET 1 1H MET 1 -24.197 -11.766 -21.011
2 H2 MET 1 2H MET 1 -23.255 -11.243 -22.315
3 H3 MET 1 3H MET 1 -22.984 -10.612 -20.768
4 HA MET 1 HA MET 1 -22.276 -12.763 -19.973
5 HB2 MET 1 1HB MET 1 -22.669 -13.597 -22.856
6 HB3 MET 1 2HB MET 1 -21.873 -14.568 -21.626
7 HG2 MET 1 1HG MET 1 -23.960 -14.619 -20.337
8 HG3 MET 1 2HG MET 1 -24.750 -13.690 -21.609
9 HE1 MET 1 1HE MET 1 -22.108 -16.628 -21.924
10 HE2 MET 1 2HE MET 1 -23.195 -18.009 -22.077
11 HE3 MET 1 3HE MET 1 -23.145 -17.087 -20.574
12 H ALA 2 H ALA 2 -20.090 -13.021 -19.829
13 HA ALA 2 HA ALA 2 -17.909 -12.420 -19.975
14 HB1 ALA 2 1HB ALA 2 -17.983 -13.651 -22.086
15 HB2 ALA 2 2HB ALA 2 -16.885 -12.275 -22.187
16 HB3 ALA 2 3HB ALA 2 -18.483 -12.184 -22.929
17 H THR 3 H THR 3 -19.982 -10.431 -19.554
18 HA THR 3 HA THR 3 -19.126 -8.040 -20.939
19 HB THR 3 HB THR 3 -21.135 -8.245 -18.691
20 HG1 THR 3 HG1 THR 3 -21.518 -8.624 -21.498
21 HG21 THR 3 1HG2 THR 3 -22.116 -6.272 -19.745
22 HG22 THR 3 2HG2 THR 3 -20.885 -6.317 -21.007
23 HG23 THR 3 3HG2 THR 3 -20.424 -5.976 -19.340
24 H LYS 4 H LYS 4 -17.941 -6.391 -20.072
25 HA LYS 4 HA LYS 4 -16.701 -6.863 -17.475
26 HB2 LYS 4 1HB LYS 4 -16.167 -4.753 -19.573
27 HB3 LYS 4 2HB LYS 4 -15.264 -4.925 -18.075
28 HG2 LYS 4 1HG LYS 4 -15.436 -6.997 -20.252
29 HG3 LYS 4 2HG LYS 4 -14.085 -5.894 -19.991
30 HD2 LYS 4 1HD LYS 4 -13.749 -6.869 -17.758
31 HD3 LYS 4 2HD LYS 4 -15.073 -7.994 -18.064
32 HE2 LYS 4 1HE LYS 4 -12.497 -7.804 -19.619
33 HE3 LYS 4 2HE LYS 4 -12.916 -9.058 -18.452
34 HZ1 LYS 4 1HZ LYS 4 -13.269 -9.815 -20.710
35 HZ2 LYS 4 2HZ LYS 4 -14.330 -8.533 -21.011
36 HZ3 LYS 4 3HZ LYS 4 -14.744 -9.728 -19.887
37 H HIS 5 H HIS 5 -19.055 -6.522 -16.732
38 HA HIS 5 HA HIS 5 -19.477 -3.658 -16.176
39 HB2 HIS 5 1HB HIS 5 -21.218 -4.776 -17.619
40 HB3 HIS 5 2HB HIS 5 -21.591 -5.823 -16.258
41 HD1 HIS 5 HD1 HIS 5 -23.519 -5.055 -14.930
42 HD2 HIS 5 HD2 HIS 5 -21.570 -1.885 -16.779
43 HE1 HIS 5 HE1 HIS 5 -24.858 -3.010 -14.352
44 HE2 HIS 5 HE2 HIS 5 -23.556 -1.093 -15.328
45 H GLY 6 H GLY 6 -17.736 -5.218 -14.686
46 HA2 GLY 6 1HA GLY 6 -19.002 -6.333 -12.385
47 HA3 GLY 6 2HA GLY 6 -17.289 -5.979 -12.564
48 H LYS 7 H LYS 7 -20.107 -5.136 -10.991
49 HA LYS 7 HA LYS 7 -19.477 -2.365 -10.554
50 HB2 LYS 7 1HB LYS 7 -21.320 -2.539 -8.835
51 HB3 LYS 7 2HB LYS 7 -21.790 -2.867 -10.496
52 HG2 LYS 7 1HG LYS 7 -21.708 -5.260 -10.051
53 HG3 LYS 7 2HG LYS 7 -21.194 -4.942 -8.394
54 HD2 LYS 7 1HD LYS 7 -23.796 -4.003 -9.594
55 HD3 LYS 7 2HD LYS 7 -23.615 -5.452 -8.607
56 HE2 LYS 7 1HE LYS 7 -22.780 -4.049 -6.756
57 HE3 LYS 7 2HE LYS 7 -23.049 -2.615 -7.748
58 HZ1 LYS 7 1HZ LYS 7 -25.121 -4.516 -6.791
59 HZ2 LYS 7 2HZ LYS 7 -25.415 -3.224 -7.841
60 HZ3 LYS 7 3HZ LYS 7 -24.885 -2.925 -6.264
61 H ASN 8 H ASN 8 -18.087 -5.015 -9.588
62 HA ASN 8 HA ASN 8 -17.374 -4.039 -6.917
63 HB2 ASN 8 1HB ASN 8 -16.554 -6.255 -6.414
64 HB3 ASN 8 2HB ASN 8 -18.187 -6.390 -7.051
65 HD21 ASN 8 1HD2 ASN 8 -15.915 -8.290 -6.940
66 HD22 ASN 8 2HD2 ASN 8 -15.694 -8.829 -8.569
67 H SER 9 H SER 9 -16.248 -4.349 -10.107
68 HA SER 9 HA SER 9 -13.571 -4.796 -9.906
69 HB2 SER 9 1HB SER 9 -14.954 -2.891 -11.794
70 HB3 SER 9 2HB SER 9 -13.343 -3.574 -12.021
71 HG SER 9 HG SER 9 -15.308 -4.644 -13.025
72 H TRP 10 H TRP 10 -15.205 -1.689 -9.294
73 HA TRP 10 HA TRP 10 -12.915 -0.084 -9.141
74 HB2 TRP 10 1HB TRP 10 -14.266 1.543 -8.080
75 HB3 TRP 10 2HB TRP 10 -15.396 0.658 -9.098
76 HD1 TRP 10 HD1 TRP 10 -17.342 -0.661 -7.883
77 HE1 TRP 10 HE1 TRP 10 -18.159 -0.771 -5.447
78 HE3 TRP 10 HE3 TRP 10 -13.350 1.567 -5.608
79 HZ2 TRP 10 HZ2 TRP 10 -17.220 -0.029 -2.892
80 HZ3 TRP 10 HZ3 TRP 10 -13.385 1.819 -3.155
81 HH2 TRP 10 HH2 TRP 10 -15.274 1.025 -1.831
82 H LYS 11 H LYS 11 -14.405 -2.343 -7.038
83 HA LYS 11 HA LYS 11 -12.998 -1.540 -4.657
84 HB2 LYS 11 1HB LYS 11 -15.392 -2.628 -4.999
85 HB3 LYS 11 2HB LYS 11 -14.470 -4.122 -4.927
86 HG2 LYS 11 1HG LYS 11 -13.525 -2.649 -2.804
87 HG3 LYS 11 2HG LYS 11 -15.249 -2.314 -2.841
88 HD2 LYS 11 1HD LYS 11 -14.782 -4.238 -1.421
89 HD3 LYS 11 2HD LYS 11 -15.725 -4.716 -2.835
90 HE2 LYS 11 1HE LYS 11 -13.653 -5.486 -3.929
91 HE3 LYS 11 2HE LYS 11 -12.744 -5.029 -2.491
92 HZ1 LYS 11 1HZ LYS 11 -13.958 -6.658 -1.219
93 HZ2 LYS 11 2HZ LYS 11 -13.257 -7.406 -2.562
94 HZ3 LYS 11 3HZ LYS 11 -14.912 -7.060 -2.556
95 H THR 12 H THR 12 -12.842 -3.852 -7.199
96 HA THR 12 HA THR 12 -10.843 -5.538 -6.136
97 HB THR 12 HB THR 12 -10.988 -5.035 -9.077
98 HG1 THR 12 HG1 THR 12 -13.065 -6.065 -7.439
99 HG21 THR 12 1HG2 THR 12 -10.721 -7.440 -9.138
100 HG22 THR 12 2HG2 THR 12 -10.917 -7.521 -7.384
101 HG23 THR 12 3HG2 THR 12 -9.500 -6.725 -8.076
102 H LEU 13 H LEU 13 -10.832 -2.579 -8.049
103 HA LEU 13 HA LEU 13 -8.042 -2.292 -8.362
104 HB2 LEU 13 1HB LEU 13 -9.716 0.110 -7.743
105 HB3 LEU 13 2HB LEU 13 -8.437 -0.055 -8.927
106 HG LEU 13 HG LEU 13 -11.275 -0.961 -9.124
107 HD11 LEU 13 1HD1 LEU 13 -10.951 1.410 -9.463
108 HD12 LEU 13 2HD1 LEU 13 -11.358 0.631 -10.993
109 HD13 LEU 13 3HD1 LEU 13 -9.690 1.095 -10.653
110 HD21 LEU 13 1HD2 LEU 13 -9.020 -1.350 -11.114
111 HD22 LEU 13 2HD2 LEU 13 -10.721 -1.707 -11.417
112 HD23 LEU 13 3HD2 LEU 13 -9.829 -2.627 -10.204
113 H TYR 14 H TYR 14 -10.184 -1.986 -5.754
114 HA TYR 14 HA TYR 14 -8.701 0.060 -4.397
115 HB2 TYR 14 1HB TYR 14 -11.284 -0.248 -4.688
116 HB3 TYR 14 2HB TYR 14 -11.096 -1.284 -3.275
117 HD1 TYR 14 HD1 TYR 14 -10.753 2.083 -4.595
118 HD2 TYR 14 HD2 TYR 14 -10.589 -0.390 -1.145
119 HE1 TYR 14 HE1 TYR 14 -10.683 4.098 -3.151
120 HE2 TYR 14 HE2 TYR 14 -10.522 1.575 0.304
121 HH TYR 14 HH TYR 14 -11.182 4.740 -0.848
122 H LEU 15 H LEU 15 -9.820 -3.233 -3.743
123 HA LEU 15 HA LEU 15 -8.433 -3.452 -1.280
124 HB2 LEU 15 1HB LEU 15 -9.017 -5.746 -1.322
125 HB3 LEU 15 2HB LEU 15 -10.344 -4.912 -2.109
126 HG LEU 15 HG LEU 15 -8.658 -5.596 -4.204
127 HD11 LEU 15 1HD1 LEU 15 -7.369 -7.061 -2.759
128 HD12 LEU 15 2HD1 LEU 15 -8.298 -8.004 -3.924
129 HD13 LEU 15 3HD1 LEU 15 -8.843 -7.885 -2.251
130 HD21 LEU 15 1HD2 LEU 15 -11.093 -7.019 -3.150
131 HD22 LEU 15 2HD2 LEU 15 -10.439 -7.158 -4.783
132 HD23 LEU 15 3HD2 LEU 15 -11.084 -5.613 -4.218
133 H LYS 16 H LYS 16 -7.570 -3.612 -4.570
134 HA LYS 16 HA LYS 16 -5.039 -4.916 -4.240
135 HB2 LYS 16 1HB LYS 16 -6.237 -5.053 -6.387
136 HB3 LYS 16 2HB LYS 16 -6.216 -3.306 -6.518
137 HG2 LYS 16 1HG LYS 16 -3.650 -4.822 -6.331
138 HG3 LYS 16 2HG LYS 16 -4.508 -4.693 -7.866
139 HD2 LYS 16 1HD LYS 16 -3.854 -2.283 -6.181
140 HD3 LYS 16 2HD LYS 16 -2.713 -2.936 -7.374
141 HE2 LYS 16 1HE LYS 16 -5.514 -1.943 -7.919
142 HE3 LYS 16 2HE LYS 16 -4.014 -1.123 -8.344
143 HZ1 LYS 16 1HZ LYS 16 -3.470 -3.001 -9.794
144 HZ2 LYS 16 2HZ LYS 16 -4.915 -2.257 -10.250
145 HZ3 LYS 16 3HZ LYS 16 -4.950 -3.729 -9.422
146 H ILE 17 H ILE 17 -6.361 -1.711 -4.696
147 HA ILE 17 HA ILE 17 -4.083 -0.182 -4.976
148 HB ILE 17 HB ILE 17 -6.793 0.296 -4.881
149 HG12 ILE 17 1HG1 ILE 17 -6.026 2.731 -5.210
150 HG13 ILE 17 2HG1 ILE 17 -4.395 2.090 -5.012
151 HG21 ILE 17 1HG2 ILE 17 -6.806 0.600 -2.457
152 HG22 ILE 17 2HG2 ILE 17 -7.150 2.121 -3.282
153 HG23 ILE 17 3HG2 ILE 17 -5.552 1.834 -2.592
154 HD11 ILE 17 1HD1 ILE 17 -5.071 2.288 -7.371
155 HD12 ILE 17 2HD1 ILE 17 -6.383 1.145 -7.066
156 HD13 ILE 17 3HD1 ILE 17 -4.704 0.627 -6.904
157 H SER 18 H SER 18 -5.615 -1.426 -2.147
158 HA SER 18 HA SER 18 -3.968 0.196 -0.419
159 HB2 SER 18 1HB SER 18 -6.355 -0.292 0.163
160 HB3 SER 18 2HB SER 18 -5.930 -1.992 0.339
161 HG SER 18 HG SER 18 -5.309 -1.546 2.277
162 H PHE 19 H PHE 19 -4.268 -3.033 -1.609
163 HA PHE 19 HA PHE 19 -2.534 -4.447 0.021
164 HB2 PHE 19 1HB PHE 19 -3.520 -5.918 -1.393
165 HB3 PHE 19 2HB PHE 19 -3.668 -4.716 -2.675
166 HD1 PHE 19 HD1 PHE 19 -1.061 -6.802 -0.992
167 HD2 PHE 19 HD2 PHE 19 -2.435 -4.953 -4.563
168 HE1 PHE 19 HE1 PHE 19 0.806 -7.801 -2.216
169 HE2 PHE 19 HE2 PHE 19 -0.577 -5.942 -5.805
170 HZ PHE 19 HZ PHE 19 1.054 -7.386 -4.640
171 H LEU 20 H LEU 20 -1.660 -3.002 -3.171
172 HA LEU 20 HA LEU 20 1.127 -3.422 -2.573
173 HB2 LEU 20 1HB LEU 20 1.660 -2.521 -4.651
174 HB3 LEU 20 2HB LEU 20 0.100 -3.265 -4.921
175 HG LEU 20 HG LEU 20 0.520 -0.314 -4.458
176 HD11 LEU 20 1HD1 LEU 20 0.064 -1.831 -7.024
177 HD12 LEU 20 2HD1 LEU 20 1.554 -1.018 -6.547
178 HD13 LEU 20 3HD1 LEU 20 0.097 -0.075 -6.857
179 HD21 LEU 20 1HD2 LEU 20 -1.853 -2.022 -5.074
180 HD22 LEU 20 2HD2 LEU 20 -1.807 -0.318 -5.545
181 HD23 LEU 20 3HD2 LEU 20 -1.666 -0.763 -3.837
182 H GLY 21 H GLY 21 -1.197 -1.018 -2.023
183 HA2 GLY 21 1HA GLY 21 0.501 1.176 -1.443
184 HA3 GLY 21 2HA GLY 21 -1.173 0.968 -0.943
185 H CYS 22 H CYS 22 0.006 -1.732 0.118
186 HA CYS 22 HA CYS 22 0.499 -0.864 2.835
187 HB2 CYS 22 1HB CYS 22 0.364 -3.601 1.551
188 HB3 CYS 22 2HB CYS 22 0.742 -3.328 3.246
189 HG CYS 22 HG CYS 22 -2.193 -2.240 1.878
190 H LYS 23 H LYS 23 2.013 -2.731 0.313
191 HA LYS 23 HA LYS 23 4.557 -3.036 1.317
192 HB2 LYS 23 1HB LYS 23 3.612 -2.489 -1.463
193 HB3 LYS 23 2HB LYS 23 5.245 -3.015 -1.081
194 HG2 LYS 23 1HG LYS 23 4.363 -5.107 -0.167
195 HG3 LYS 23 2HG LYS 23 2.723 -4.577 -0.549
196 HD2 LYS 23 1HD LYS 23 3.207 -4.580 -2.897
197 HD3 LYS 23 2HD LYS 23 4.916 -4.901 -2.594
198 HE2 LYS 23 1HE LYS 23 4.224 -7.061 -1.532
199 HE3 LYS 23 2HE LYS 23 2.581 -6.735 -2.080
200 HZ1 LYS 23 1HZ LYS 23 4.961 -7.041 -3.827
201 HZ2 LYS 23 2HZ LYS 23 3.395 -6.713 -4.362
202 HZ3 LYS 23 3HZ LYS 23 3.741 -8.189 -3.613
203 H VAL 24 H VAL 24 3.047 -0.449 -0.378
204 HA VAL 24 HA VAL 24 5.402 1.171 -0.430
205 HB VAL 24 HB VAL 24 2.564 1.892 -1.055
206 HG11 VAL 24 1HG1 VAL 24 3.912 3.854 -0.563
207 HG12 VAL 24 2HG1 VAL 24 3.499 3.787 -2.275
208 HG13 VAL 24 3HG1 VAL 24 5.114 3.328 -1.738
209 HG21 VAL 24 1HG2 VAL 24 3.163 1.529 -3.376
210 HG22 VAL 24 2HG2 VAL 24 3.481 0.070 -2.428
211 HG23 VAL 24 3HG2 VAL 24 4.814 1.127 -2.897
212 H VAL 25 H VAL 25 2.713 0.648 1.612
213 HA VAL 25 HA VAL 25 2.944 2.995 3.198
214 HB VAL 25 HB VAL 25 1.618 0.404 3.500
215 HG11 VAL 25 1HG1 VAL 25 1.420 0.471 5.943
216 HG12 VAL 25 2HG1 VAL 25 2.603 1.778 6.001
217 HG13 VAL 25 3HG1 VAL 25 3.087 0.176 5.443
218 HG21 VAL 25 1HG2 VAL 25 -0.041 1.839 4.609
219 HG22 VAL 25 2HG2 VAL 25 0.452 2.438 3.025
220 HG23 VAL 25 3HG2 VAL 25 1.100 3.182 4.493
221 H ALA 26 H ALA 26 4.629 -0.024 3.030
222 HA ALA 26 HA ALA 26 6.134 0.270 5.389
223 HB1 ALA 26 1HB ALA 26 5.875 -1.884 4.281
224 HB2 ALA 26 2HB ALA 26 7.579 -1.473 4.472
225 HB3 ALA 26 3HB ALA 26 6.799 -1.291 2.901
226 H LEU 27 H LEU 27 6.524 1.581 2.141
227 HA LEU 27 HA LEU 27 9.150 2.564 2.930
228 HB2 LEU 27 1HB LEU 27 9.434 3.370 0.691
229 HB3 LEU 27 2HB LEU 27 8.892 1.706 0.673
230 HG LEU 27 HG LEU 27 6.528 2.794 0.307
231 HD11 LEU 27 1HD1 LEU 27 7.238 5.104 0.586
232 HD12 LEU 27 2HD1 LEU 27 6.655 4.824 -1.055
233 HD13 LEU 27 3HD1 LEU 27 8.387 4.925 -0.740
234 HD21 LEU 27 1HD2 LEU 27 6.920 2.642 -2.120
235 HD22 LEU 27 2HD2 LEU 27 7.611 1.282 -1.236
236 HD23 LEU 27 3HD2 LEU 27 8.656 2.579 -1.817
237 H LEU 28 H LEU 28 5.908 3.645 2.688
238 HA LEU 28 HA LEU 28 6.557 6.455 2.711
239 HB2 LEU 28 1HB LEU 28 4.690 6.060 1.453
240 HB3 LEU 28 2HB LEU 28 4.122 4.780 2.502
241 HG LEU 28 HG LEU 28 3.906 7.038 4.078
242 HD11 LEU 28 1HD1 LEU 28 2.660 8.636 2.719
243 HD12 LEU 28 2HD1 LEU 28 3.014 7.691 1.273
244 HD13 LEU 28 3HD1 LEU 28 4.323 8.478 2.155
245 HD21 LEU 28 1HD2 LEU 28 1.535 6.642 3.837
246 HD22 LEU 28 2HD2 LEU 28 2.406 5.102 3.894
247 HD23 LEU 28 3HD2 LEU 28 1.813 5.729 2.353
248 H LYS 29 H LYS 29 4.395 4.582 4.877
249 HA LYS 29 HA LYS 29 4.967 6.435 7.034
250 HB2 LYS 29 1HB LYS 29 3.175 4.005 6.914
251 HB3 LYS 29 2HB LYS 29 3.360 5.017 8.337
252 HG2 LYS 29 1HG LYS 29 2.263 5.889 5.674
253 HG3 LYS 29 2HG LYS 29 1.329 5.559 7.131
254 HD2 LYS 29 1HD LYS 29 2.482 7.385 8.282
255 HD3 LYS 29 2HD LYS 29 3.417 7.714 6.822
256 HE2 LYS 29 1HE LYS 29 1.311 8.173 5.616
257 HE3 LYS 29 2HE LYS 29 0.424 7.927 7.118
258 HZ1 LYS 29 1HZ LYS 29 1.630 9.781 8.089
259 HZ2 LYS 29 2HZ LYS 29 0.810 10.269 6.693
260 HZ3 LYS 29 3HZ LYS 29 2.478 10.015 6.645
261 H ARG 30 H ARG 30 5.643 3.255 6.008
262 HA ARG 30 HA ARG 30 7.295 1.819 6.457
263 HB2 ARG 30 1HB ARG 30 8.437 4.004 8.210
264 HB3 ARG 30 2HB ARG 30 9.299 2.567 7.672
265 HG2 ARG 30 1HG ARG 30 9.124 3.284 5.370
266 HG3 ARG 30 2HG ARG 30 8.168 4.683 5.854
267 HD2 ARG 30 1HD ARG 30 10.090 5.510 7.156
268 HD3 ARG 30 2HD ARG 30 11.038 4.132 6.591
269 HE ARG 30 HE ARG 30 9.991 5.431 4.350
270 HH11 ARG 30 1HH1 ARG 30 12.298 6.058 6.914
271 HH12 ARG 30 2HH1 ARG 30 13.258 7.138 5.956
272 HH21 ARG 30 1HH2 ARG 30 11.267 6.844 3.087
273 HH22 ARG 30 2HH2 ARG 30 12.679 7.577 3.780
Start of MODEL 6
1 H1 MET 1 1H MET 1 -13.705 -18.278 -8.503
2 H2 MET 1 2H MET 1 -14.446 -19.792 -8.626
3 H3 MET 1 3H MET 1 -15.242 -18.411 -9.191
4 HA MET 1 HA MET 1 -12.734 -19.503 -10.288
5 HB2 MET 1 1HB MET 1 -14.621 -20.962 -10.789
6 HB3 MET 1 2HB MET 1 -15.547 -19.590 -11.373
7 HG2 MET 1 1HG MET 1 -13.943 -19.282 -13.194
8 HG3 MET 1 2HG MET 1 -13.023 -20.668 -12.612
9 HE1 MET 1 1HE MET 1 -14.718 -21.940 -15.941
10 HE2 MET 1 2HE MET 1 -13.190 -21.654 -15.109
11 HE3 MET 1 3HE MET 1 -14.184 -20.290 -15.618
12 H ALA 2 H ALA 2 -15.441 -17.689 -11.603
13 HA ALA 2 HA ALA 2 -13.670 -15.421 -12.111
14 HB1 ALA 2 1HB ALA 2 -14.333 -15.327 -14.473
15 HB2 ALA 2 2HB ALA 2 -15.211 -16.843 -14.279
16 HB3 ALA 2 3HB ALA 2 -13.458 -16.809 -14.093
17 H THR 3 H THR 3 -14.711 -13.468 -12.388
18 HA THR 3 HA THR 3 -17.612 -13.397 -12.409
19 HB THR 3 HB THR 3 -17.172 -13.433 -10.030
20 HG1 THR 3 HG1 THR 3 -18.697 -11.998 -9.929
21 HG21 THR 3 1HG2 THR 3 -14.844 -12.684 -10.031
22 HG22 THR 3 2HG2 THR 3 -15.816 -11.716 -8.923
23 HG23 THR 3 3HG2 THR 3 -15.357 -11.062 -10.495
24 H LYS 4 H LYS 4 -18.295 -11.828 -13.715
25 HA LYS 4 HA LYS 4 -16.672 -9.447 -14.121
26 HB2 LYS 4 1HB LYS 4 -16.864 -9.716 -16.613
27 HB3 LYS 4 2HB LYS 4 -15.795 -10.866 -15.826
28 HG2 LYS 4 1HG LYS 4 -17.706 -12.499 -15.852
29 HG3 LYS 4 2HG LYS 4 -18.566 -11.354 -16.881
30 HD2 LYS 4 1HD LYS 4 -17.476 -13.045 -18.235
31 HD3 LYS 4 2HD LYS 4 -16.730 -11.471 -18.509
32 HE2 LYS 4 1HE LYS 4 -14.883 -12.051 -17.061
33 HE3 LYS 4 2HE LYS 4 -15.655 -13.578 -16.637
34 HZ1 LYS 4 1HZ LYS 4 -14.653 -12.803 -19.323
35 HZ2 LYS 4 2HZ LYS 4 -15.455 -14.249 -18.967
36 HZ3 LYS 4 3HZ LYS 4 -13.947 -13.928 -18.276
37 H HIS 5 H HIS 5 -19.146 -9.899 -12.819
38 HA HIS 5 HA HIS 5 -20.888 -8.251 -14.513
39 HB2 HIS 5 1HB HIS 5 -22.865 -9.368 -13.492
40 HB3 HIS 5 2HB HIS 5 -21.894 -10.448 -14.478
41 HD1 HIS 5 HD1 HIS 5 -21.457 -12.648 -13.448
42 HD2 HIS 5 HD2 HIS 5 -22.182 -9.732 -10.578
43 HE1 HIS 5 HE1 HIS 5 -21.454 -13.852 -11.242
44 HE2 HIS 5 HE2 HIS 5 -21.726 -12.042 -9.512
45 H GLY 6 H GLY 6 -22.200 -6.730 -13.411
46 HA2 GLY 6 1HA GLY 6 -22.850 -5.370 -11.656
47 HA3 GLY 6 2HA GLY 6 -22.018 -6.455 -10.552
48 H LYS 7 H LYS 7 -21.335 -4.488 -9.480
49 HA LYS 7 HA LYS 7 -19.130 -3.133 -10.876
50 HB2 LYS 7 1HB LYS 7 -19.499 -1.301 -9.163
51 HB3 LYS 7 2HB LYS 7 -20.752 -1.491 -10.379
52 HG2 LYS 7 1HG LYS 7 -22.165 -2.650 -8.793
53 HG3 LYS 7 2HG LYS 7 -20.892 -2.584 -7.575
54 HD2 LYS 7 1HD LYS 7 -22.528 -0.855 -7.143
55 HD3 LYS 7 2HD LYS 7 -21.001 -0.121 -7.631
56 HE2 LYS 7 1HE LYS 7 -22.834 1.010 -8.722
57 HE3 LYS 7 2HE LYS 7 -21.885 0.132 -9.916
58 HZ1 LYS 7 1HZ LYS 7 -23.551 -1.631 -9.871
59 HZ2 LYS 7 2HZ LYS 7 -24.240 -0.150 -10.304
60 HZ3 LYS 7 3HZ LYS 7 -24.466 -0.761 -8.744
61 H ASN 8 H ASN 8 -17.668 -4.767 -10.309
62 HA ASN 8 HA ASN 8 -16.894 -4.738 -7.475
63 HB2 ASN 8 1HB ASN 8 -16.242 -7.087 -7.632
64 HB3 ASN 8 2HB ASN 8 -17.947 -6.886 -8.014
65 HD21 ASN 8 1HD2 ASN 8 -16.147 -9.047 -8.696
66 HD22 ASN 8 2HD2 ASN 8 -16.142 -9.160 -10.420
67 H SER 9 H SER 9 -15.852 -4.815 -10.812
68 HA SER 9 HA SER 9 -13.157 -5.177 -10.615
69 HB2 SER 9 1HB SER 9 -14.334 -4.930 -12.752
70 HB3 SER 9 2HB SER 9 -14.587 -3.218 -12.422
71 HG SER 9 HG SER 9 -12.791 -3.448 -13.741
72 H TRP 10 H TRP 10 -14.910 -2.114 -10.065
73 HA TRP 10 HA TRP 10 -12.700 -0.454 -9.729
74 HB2 TRP 10 1HB TRP 10 -14.179 1.129 -8.782
75 HB3 TRP 10 2HB TRP 10 -15.188 0.203 -9.885
76 HD1 TRP 10 HD1 TRP 10 -17.168 -1.208 -8.835
77 HE1 TRP 10 HE1 TRP 10 -18.179 -1.342 -6.473
78 HE3 TRP 10 HE3 TRP 10 -13.499 1.240 -6.257
79 HZ2 TRP 10 HZ2 TRP 10 -17.514 -0.505 -3.856
80 HZ3 TRP 10 HZ3 TRP 10 -13.765 1.535 -3.824
81 HH2 TRP 10 HH2 TRP 10 -15.726 0.676 -2.651
82 H LYS 11 H LYS 11 -14.289 -2.727 -7.678
83 HA LYS 11 HA LYS 11 -13.071 -1.846 -5.228
84 HB2 LYS 11 1HB LYS 11 -15.347 -3.170 -5.766
85 HB3 LYS 11 2HB LYS 11 -14.286 -4.545 -5.484
86 HG2 LYS 11 1HG LYS 11 -13.728 -2.819 -3.409
87 HG3 LYS 11 2HG LYS 11 -15.468 -2.702 -3.634
88 HD2 LYS 11 1HD LYS 11 -14.902 -4.444 -2.016
89 HD3 LYS 11 2HD LYS 11 -15.674 -5.126 -3.448
90 HE2 LYS 11 1HE LYS 11 -13.577 -5.903 -4.299
91 HE3 LYS 11 2HE LYS 11 -12.687 -5.012 -3.064
92 HZ1 LYS 11 1HZ LYS 11 -14.532 -7.280 -2.537
93 HZ2 LYS 11 2HZ LYS 11 -13.629 -6.448 -1.378
94 HZ3 LYS 11 3HZ LYS 11 -12.846 -7.377 -2.551
95 H THR 12 H THR 12 -12.593 -4.116 -7.735
96 HA THR 12 HA THR 12 -10.577 -5.675 -6.491
97 HB THR 12 HB THR 12 -10.703 -5.345 -9.458
98 HG1 THR 12 HG1 THR 12 -12.852 -5.864 -7.935
99 HG21 THR 12 1HG2 THR 12 -10.438 -7.692 -7.603
100 HG22 THR 12 2HG2 THR 12 -9.102 -6.865 -8.415
101 HG23 THR 12 3HG2 THR 12 -10.313 -7.743 -9.364
102 H LEU 13 H LEU 13 -10.654 -2.713 -8.374
103 HA LEU 13 HA LEU 13 -7.836 -2.354 -8.595
104 HB2 LEU 13 1HB LEU 13 -9.665 -0.028 -8.114
105 HB3 LEU 13 2HB LEU 13 -8.283 -0.129 -9.186
106 HG LEU 13 HG LEU 13 -11.051 -1.163 -9.612
107 HD11 LEU 13 1HD1 LEU 13 -9.396 0.943 -10.990
108 HD12 LEU 13 2HD1 LEU 13 -10.823 1.194 -9.984
109 HD13 LEU 13 3HD1 LEU 13 -10.974 0.384 -11.543
110 HD21 LEU 13 1HD2 LEU 13 -10.266 -1.914 -11.838
111 HD22 LEU 13 2HD2 LEU 13 -9.483 -2.799 -10.529
112 HD23 LEU 13 3HD2 LEU 13 -8.611 -1.518 -11.372
113 H TYR 14 H TYR 14 -10.138 -2.132 -6.127
114 HA TYR 14 HA TYR 14 -8.864 0.003 -4.700
115 HB2 TYR 14 1HB TYR 14 -11.397 -0.462 -5.149
116 HB3 TYR 14 2HB TYR 14 -11.246 -1.469 -3.710
117 HD1 TYR 14 HD1 TYR 14 -11.122 1.884 -5.067
118 HD2 TYR 14 HD2 TYR 14 -10.818 -0.510 -1.572
119 HE1 TYR 14 HE1 TYR 14 -11.281 3.915 -3.659
120 HE2 TYR 14 HE2 TYR 14 -10.968 1.471 -0.157
121 HH TYR 14 HH TYR 14 -11.837 4.579 -1.428
122 H LEU 15 H LEU 15 -9.893 -3.314 -4.024
123 HA LEU 15 HA LEU 15 -8.604 -3.489 -1.526
124 HB2 LEU 15 1HB LEU 15 -9.041 -5.817 -1.644
125 HB3 LEU 15 2HB LEU 15 -10.372 -5.038 -2.481
126 HG LEU 15 HG LEU 15 -8.580 -5.553 -4.519
127 HD11 LEU 15 1HD1 LEU 15 -7.987 -7.907 -4.295
128 HD12 LEU 15 2HD1 LEU 15 -8.618 -7.916 -2.649
129 HD13 LEU 15 3HD1 LEU 15 -7.211 -6.930 -3.049
130 HD21 LEU 15 1HD2 LEU 15 -10.991 -5.793 -4.613
131 HD22 LEU 15 2HD2 LEU 15 -10.905 -7.217 -3.575
132 HD23 LEU 15 3HD2 LEU 15 -10.192 -7.258 -5.187
133 H LYS 16 H LYS 16 -7.557 -3.615 -4.783
134 HA LYS 16 HA LYS 16 -4.984 -4.785 -4.306
135 HB2 LYS 16 1HB LYS 16 -6.010 -4.997 -6.516
136 HB3 LYS 16 2HB LYS 16 -6.132 -3.253 -6.651
137 HG2 LYS 16 1HG LYS 16 -3.450 -4.506 -6.297
138 HG3 LYS 16 2HG LYS 16 -4.231 -4.532 -7.877
139 HD2 LYS 16 1HD LYS 16 -3.926 -1.993 -6.286
140 HD3 LYS 16 2HD LYS 16 -2.651 -2.580 -7.369
141 HE2 LYS 16 1HE LYS 16 -4.473 -2.686 -9.169
142 HE3 LYS 16 2HE LYS 16 -5.447 -1.716 -8.067
143 HZ1 LYS 16 1HZ LYS 16 -2.801 -0.955 -9.174
144 HZ2 LYS 16 2HZ LYS 16 -3.719 -0.017 -8.110
145 HZ3 LYS 16 3HZ LYS 16 -4.295 -0.337 -9.667
146 H ILE 17 H ILE 17 -6.401 -1.643 -4.868
147 HA ILE 17 HA ILE 17 -4.196 -0.003 -5.008
148 HB ILE 17 HB ILE 17 -6.931 0.325 -5.032
149 HG12 ILE 17 1HG1 ILE 17 -6.294 2.808 -5.297
150 HG13 ILE 17 2HG1 ILE 17 -4.638 2.252 -5.048
151 HG21 ILE 17 1HG2 ILE 17 -5.904 1.946 -2.694
152 HG22 ILE 17 2HG2 ILE 17 -7.033 0.593 -2.590
153 HG23 ILE 17 3HG2 ILE 17 -7.503 2.071 -3.433
154 HD11 ILE 17 1HD1 ILE 17 -6.515 1.305 -7.201
155 HD12 ILE 17 2HD1 ILE 17 -4.864 0.743 -6.952
156 HD13 ILE 17 3HD1 ILE 17 -5.162 2.418 -7.418
157 H SER 18 H SER 18 -5.788 -1.350 -2.274
158 HA SER 18 HA SER 18 -4.358 0.356 -0.443
159 HB2 SER 18 1HB SER 18 -6.215 -1.961 0.164
160 HB3 SER 18 2HB SER 18 -5.698 -0.708 1.288
161 HG SER 18 HG SER 18 -7.446 -0.500 -0.924
162 H PHE 19 H PHE 19 -4.397 -2.864 -1.650
163 HA PHE 19 HA PHE 19 -2.701 -4.192 0.108
164 HB2 PHE 19 1HB PHE 19 -3.640 -5.717 -1.278
165 HB3 PHE 19 2HB PHE 19 -3.767 -4.554 -2.599
166 HD1 PHE 19 HD1 PHE 19 -2.404 -4.712 -4.415
167 HD2 PHE 19 HD2 PHE 19 -1.276 -6.690 -0.824
168 HE1 PHE 19 HE1 PHE 19 -0.508 -5.710 -5.584
169 HE2 PHE 19 HE2 PHE 19 0.629 -7.716 -1.984
170 HZ PHE 19 HZ PHE 19 1.022 -7.237 -4.376
171 H LEU 20 H LEU 20 -1.780 -2.782 -3.089
172 HA LEU 20 HA LEU 20 0.990 -3.221 -2.447
173 HB2 LEU 20 1HB LEU 20 1.557 -2.338 -4.521
174 HB3 LEU 20 2HB LEU 20 -0.012 -3.060 -4.809
175 HG LEU 20 HG LEU 20 0.437 -0.117 -4.327
176 HD11 LEU 20 1HD1 LEU 20 0.013 -1.619 -6.905
177 HD12 LEU 20 2HD1 LEU 20 1.504 -0.822 -6.398
178 HD13 LEU 20 3HD1 LEU 20 0.060 0.135 -6.731
179 HD21 LEU 20 1HD2 LEU 20 -1.938 -1.803 -4.980
180 HD22 LEU 20 2HD2 LEU 20 -1.870 -0.102 -5.465
181 HD23 LEU 20 3HD2 LEU 20 -1.763 -0.533 -3.752
182 H GLY 21 H GLY 21 -1.325 -0.796 -1.937
183 HA2 GLY 21 1HA GLY 21 0.355 1.399 -1.349
184 HA3 GLY 21 2HA GLY 21 -1.308 1.166 -0.823
185 H CYS 22 H CYS 22 -0.117 -1.515 0.213
186 HA CYS 22 HA CYS 22 0.497 -0.658 2.908
187 HB2 CYS 22 1HB CYS 22 0.301 -3.395 1.630
188 HB3 CYS 22 2HB CYS 22 0.662 -3.115 3.324
189 HG CYS 22 HG CYS 22 -2.264 -2.216 1.789
190 H LYS 23 H LYS 23 1.892 -2.549 0.322
191 HA LYS 23 HA LYS 23 4.475 -2.875 1.243
192 HB2 LYS 23 1HB LYS 23 3.390 -2.408 -1.491
193 HB3 LYS 23 2HB LYS 23 5.063 -2.865 -1.205
194 HG2 LYS 23 1HG LYS 23 4.303 -4.953 -0.157
195 HG3 LYS 23 2HG LYS 23 2.632 -4.497 -0.491
196 HD2 LYS 23 1HD LYS 23 3.028 -4.575 -2.861
197 HD3 LYS 23 2HD LYS 23 4.754 -4.835 -2.604
198 HE2 LYS 23 1HE LYS 23 2.561 -6.721 -1.753
199 HE3 LYS 23 2HE LYS 23 3.557 -6.907 -3.194
200 HZ1 LYS 23 1HZ LYS 23 4.550 -6.899 -0.396
201 HZ2 LYS 23 2HZ LYS 23 5.509 -7.072 -1.777
202 HZ3 LYS 23 3HZ LYS 23 4.377 -8.263 -1.379
203 H VAL 24 H VAL 24 2.918 -0.287 -0.375
204 HA VAL 24 HA VAL 24 5.284 1.313 -0.571
205 HB VAL 24 HB VAL 24 2.417 2.048 -1.012
206 HG11 VAL 24 1HG1 VAL 24 4.918 3.511 -1.816
207 HG12 VAL 24 2HG1 VAL 24 3.777 4.016 -0.570
208 HG13 VAL 24 3HG1 VAL 24 3.275 3.969 -2.261
209 HG21 VAL 24 1HG2 VAL 24 4.556 1.352 -3.006
210 HG22 VAL 24 2HG2 VAL 24 2.862 1.705 -3.361
211 HG23 VAL 24 3HG2 VAL 24 3.296 0.248 -2.456
212 H VAL 25 H VAL 25 2.756 0.762 1.647
213 HA VAL 25 HA VAL 25 3.116 3.091 3.254
214 HB VAL 25 HB VAL 25 1.801 0.492 3.622
215 HG11 VAL 25 1HG1 VAL 25 3.377 0.246 5.454
216 HG12 VAL 25 2HG1 VAL 25 1.775 0.612 6.092
217 HG13 VAL 25 3HG1 VAL 25 3.007 1.874 6.020
218 HG21 VAL 25 1HG2 VAL 25 0.600 2.527 3.226
219 HG22 VAL 25 2HG2 VAL 25 1.347 3.274 4.645
220 HG23 VAL 25 3HG2 VAL 25 0.218 1.929 4.842
221 H ALA 26 H ALA 26 4.674 -0.016 3.006
222 HA ALA 26 HA ALA 26 6.376 0.245 5.203
223 HB1 ALA 26 1HB ALA 26 7.696 -1.537 4.192
224 HB2 ALA 26 2HB ALA 26 6.836 -1.316 2.669
225 HB3 ALA 26 3HB ALA 26 5.973 -1.894 4.094
226 H LEU 27 H LEU 27 6.550 1.598 1.962
227 HA LEU 27 HA LEU 27 9.241 2.532 2.594
228 HB2 LEU 27 1HB LEU 27 9.372 3.404 0.367
229 HB3 LEU 27 2HB LEU 27 8.835 1.741 0.340
230 HG LEU 27 HG LEU 27 6.453 2.827 0.152
231 HD11 LEU 27 1HD1 LEU 27 7.176 5.132 0.463
232 HD12 LEU 27 2HD1 LEU 27 6.478 4.902 -1.140
233 HD13 LEU 27 3HD1 LEU 27 8.227 5.003 -0.947
234 HD21 LEU 27 1HD2 LEU 27 8.447 2.689 -2.102
235 HD22 LEU 27 2HD2 LEU 27 6.698 2.770 -2.304
236 HD23 LEU 27 3HD2 LEU 27 7.430 1.376 -1.510
237 H LEU 28 H LEU 28 6.006 3.645 2.683
238 HA LEU 28 HA LEU 28 6.668 6.452 2.634
239 HB2 LEU 28 1HB LEU 28 4.654 6.040 1.613
240 HB3 LEU 28 2HB LEU 28 4.204 4.801 2.765
241 HG LEU 28 HG LEU 28 4.212 7.075 4.306
242 HD11 LEU 28 1HD1 LEU 28 4.485 8.496 2.350
243 HD12 LEU 28 2HD1 LEU 28 2.896 8.721 3.082
244 HD13 LEU 28 3HD1 LEU 28 3.060 7.765 1.609
245 HD21 LEU 28 1HD2 LEU 28 2.610 5.248 4.353
246 HD22 LEU 28 2HD2 LEU 28 1.923 5.799 2.822
247 HD23 LEU 28 3HD2 LEU 28 1.790 6.810 4.261
248 H LYS 29 H LYS 29 4.691 4.689 5.012
249 HA LYS 29 HA LYS 29 5.693 6.439 7.093
250 HB2 LYS 29 1HB LYS 29 4.038 5.217 8.541
251 HB3 LYS 29 2HB LYS 29 3.348 6.113 7.195
252 HG2 LYS 29 1HG LYS 29 3.205 4.035 5.906
253 HG3 LYS 29 2HG LYS 29 3.842 3.151 7.297
254 HD2 LYS 29 1HD LYS 29 1.310 4.792 7.340
255 HD3 LYS 29 2HD LYS 29 1.362 3.045 7.101
256 HE2 LYS 29 1HE LYS 29 2.449 2.793 9.287
257 HE3 LYS 29 2HE LYS 29 2.363 4.537 9.524
258 HZ1 LYS 29 1HZ LYS 29 0.573 3.383 10.663
259 HZ2 LYS 29 2HZ LYS 29 0.029 2.731 9.202
260 HZ3 LYS 29 3HZ LYS 29 -0.037 4.401 9.459
261 H ARG 30 H ARG 30 5.988 3.275 5.911
262 HA ARG 30 HA ARG 30 7.422 1.587 6.313
263 HB2 ARG 30 1HB ARG 30 8.873 3.536 8.111
264 HB3 ARG 30 2HB ARG 30 9.509 2.009 7.522
265 HG2 ARG 30 1HG ARG 30 9.438 2.846 5.235
266 HG3 ARG 30 2HG ARG 30 8.772 4.375 5.813
267 HD2 ARG 30 1HD ARG 30 11.467 3.219 6.505
268 HD3 ARG 30 2HD ARG 30 11.158 4.581 5.428
269 HE ARG 30 HE ARG 30 10.038 5.466 7.654
270 HH11 ARG 30 1HH1 ARG 30 13.105 3.846 7.199
271 HH12 ARG 30 2HH1 ARG 30 13.862 4.635 8.546
272 HH21 ARG 30 1HH2 ARG 30 11.027 6.501 9.428
273 HH22 ARG 30 2HH2 ARG 30 12.685 6.157 9.804
Start of MODEL 7
1 H1 MET 1 1H MET 1 -34.550 0.819 -10.540
2 H2 MET 1 2H MET 1 -35.024 -0.616 -11.291
3 H3 MET 1 3H MET 1 -33.486 0.017 -11.576
4 HA MET 1 HA MET 1 -32.826 -0.365 -9.331
5 HB2 MET 1 1HB MET 1 -35.649 -1.396 -9.027
6 HB3 MET 1 2HB MET 1 -34.374 -1.696 -7.858
7 HG2 MET 1 1HG MET 1 -35.460 0.992 -8.660
8 HG3 MET 1 2HG MET 1 -35.782 0.139 -7.153
9 HE1 MET 1 1HE MET 1 -32.997 -1.099 -6.427
10 HE2 MET 1 2HE MET 1 -33.953 -0.229 -5.228
11 HE3 MET 1 3HE MET 1 -32.250 0.162 -5.448
12 H ALA 2 H ALA 2 -32.281 -1.505 -11.739
13 HA ALA 2 HA ALA 2 -32.263 -4.370 -11.075
14 HB1 ALA 2 1HB ALA 2 -32.695 -3.221 -13.832
15 HB2 ALA 2 2HB ALA 2 -33.930 -3.980 -12.827
16 HB3 ALA 2 3HB ALA 2 -32.573 -4.934 -13.425
17 H THR 3 H THR 3 -30.439 -5.505 -11.673
18 HA THR 3 HA THR 3 -28.209 -5.825 -11.828
19 HB THR 3 HB THR 3 -27.153 -4.805 -13.923
20 HG1 THR 3 HG1 THR 3 -29.333 -3.317 -13.838
21 HG21 THR 3 1HG2 THR 3 -28.040 -7.077 -13.835
22 HG22 THR 3 2HG2 THR 3 -28.377 -6.330 -15.397
23 HG23 THR 3 3HG2 THR 3 -29.655 -6.469 -14.192
24 H LYS 4 H LYS 4 -28.648 -3.999 -9.881
25 HA LYS 4 HA LYS 4 -26.820 -1.769 -10.291
26 HB2 LYS 4 1HB LYS 4 -28.480 -2.596 -7.909
27 HB3 LYS 4 2HB LYS 4 -27.422 -1.194 -7.928
28 HG2 LYS 4 1HG LYS 4 -28.735 -0.239 -9.761
29 HG3 LYS 4 2HG LYS 4 -29.804 -1.640 -9.712
30 HD2 LYS 4 1HD LYS 4 -30.951 -0.042 -8.469
31 HD3 LYS 4 2HD LYS 4 -30.157 -1.025 -7.242
32 HE2 LYS 4 1HE LYS 4 -29.070 1.581 -8.300
33 HE3 LYS 4 2HE LYS 4 -30.042 1.436 -6.840
34 HZ1 LYS 4 1HZ LYS 4 -28.283 -0.140 -6.025
35 HZ2 LYS 4 2HZ LYS 4 -27.814 1.474 -6.157
36 HZ3 LYS 4 3HZ LYS 4 -27.325 0.362 -7.327
37 H HIS 5 H HIS 5 -26.199 -4.759 -10.060
38 HA HIS 5 HA HIS 5 -23.813 -4.373 -8.431
39 HB2 HIS 5 1HB HIS 5 -24.025 -6.619 -7.442
40 HB3 HIS 5 2HB HIS 5 -25.364 -5.583 -6.973
41 HD1 HIS 5 HD1 HIS 5 -27.715 -6.245 -7.768
42 HD2 HIS 5 HD2 HIS 5 -24.717 -8.804 -9.093
43 HE1 HIS 5 HE1 HIS 5 -28.902 -8.263 -8.684
44 HE2 HIS 5 HE2 HIS 5 -27.065 -9.860 -9.329
45 H GLY 6 H GLY 6 -22.022 -5.540 -9.145
46 HA2 GLY 6 1HA GLY 6 -21.535 -7.516 -10.770
47 HA3 GLY 6 2HA GLY 6 -22.268 -6.424 -11.932
48 H LYS 7 H LYS 7 -21.216 -4.074 -10.670
49 HA LYS 7 HA LYS 7 -18.614 -4.017 -11.863
50 HB2 LYS 7 1HB LYS 7 -18.574 -1.650 -10.992
51 HB3 LYS 7 2HB LYS 7 -19.892 -2.023 -12.092
52 HG2 LYS 7 1HG LYS 7 -21.440 -2.181 -10.251
53 HG3 LYS 7 2HG LYS 7 -20.130 -1.960 -9.092
54 HD2 LYS 7 1HD LYS 7 -21.250 0.132 -9.315
55 HD3 LYS 7 2HD LYS 7 -19.697 0.274 -10.136
56 HE2 LYS 7 1HE LYS 7 -21.400 1.300 -11.490
57 HE3 LYS 7 2HE LYS 7 -20.845 -0.172 -12.284
58 HZ1 LYS 7 1HZ LYS 7 -22.800 -1.315 -11.411
59 HZ2 LYS 7 2HZ LYS 7 -23.240 0.001 -12.376
60 HZ3 LYS 7 3HZ LYS 7 -23.336 0.117 -10.691
61 H ASN 8 H ASN 8 -17.280 -5.361 -10.759
62 HA ASN 8 HA ASN 8 -16.808 -4.681 -7.933
63 HB2 ASN 8 1HB ASN 8 -16.203 -6.980 -7.503
64 HB3 ASN 8 2HB ASN 8 -17.794 -6.934 -8.253
65 HD21 ASN 8 1HD2 ASN 8 -18.037 -7.676 -10.377
66 HD22 ASN 8 2HD2 ASN 8 -16.841 -8.675 -11.129
67 H SER 9 H SER 9 -15.426 -5.136 -11.047
68 HA SER 9 HA SER 9 -12.782 -5.601 -10.509
69 HB2 SER 9 1HB SER 9 -13.888 -3.821 -12.685
70 HB3 SER 9 2HB SER 9 -12.309 -4.606 -12.682
71 HG SER 9 HG SER 9 -13.316 -6.597 -12.796
72 H TRP 10 H TRP 10 -14.493 -2.490 -10.355
73 HA TRP 10 HA TRP 10 -12.253 -0.829 -10.077
74 HB2 TRP 10 1HB TRP 10 -13.733 0.863 -9.358
75 HB3 TRP 10 2HB TRP 10 -14.705 -0.129 -10.435
76 HD1 TRP 10 HD1 TRP 10 -16.791 -1.365 -9.390
77 HE1 TRP 10 HE1 TRP 10 -17.961 -1.249 -7.107
78 HE3 TRP 10 HE3 TRP 10 -13.195 1.171 -6.773
79 HZ2 TRP 10 HZ2 TRP 10 -17.438 -0.210 -4.540
80 HZ3 TRP 10 HZ3 TRP 10 -13.621 1.686 -4.405
81 HH2 TRP 10 HH2 TRP 10 -15.692 1.001 -3.312
82 H LYS 11 H LYS 11 -14.009 -2.876 -7.952
83 HA LYS 11 HA LYS 11 -12.903 -1.804 -5.520
84 HB2 LYS 11 1HB LYS 11 -15.234 -2.977 -6.048
85 HB3 LYS 11 2HB LYS 11 -14.317 -4.423 -5.653
86 HG2 LYS 11 1HG LYS 11 -13.690 -2.630 -3.650
87 HG3 LYS 11 2HG LYS 11 -15.406 -2.401 -3.948
88 HD2 LYS 11 1HD LYS 11 -15.054 -4.089 -2.234
89 HD3 LYS 11 2HD LYS 11 -15.778 -4.805 -3.676
90 HE2 LYS 11 1HE LYS 11 -13.585 -5.631 -4.376
91 HE3 LYS 11 2HE LYS 11 -12.847 -4.877 -2.965
92 HZ1 LYS 11 1HZ LYS 11 -13.223 -7.229 -2.603
93 HZ2 LYS 11 2HZ LYS 11 -14.874 -7.043 -2.905
94 HZ3 LYS 11 3HZ LYS 11 -14.178 -6.315 -1.546
95 H THR 12 H THR 12 -12.440 -4.374 -7.746
96 HA THR 12 HA THR 12 -10.548 -5.871 -6.287
97 HB THR 12 HB THR 12 -10.441 -5.727 -9.271
98 HG1 THR 12 HG1 THR 12 -12.619 -6.591 -7.677
99 HG21 THR 12 1HG2 THR 12 -10.429 -7.970 -7.269
100 HG22 THR 12 2HG2 THR 12 -8.996 -7.241 -8.000
101 HG23 THR 12 3HG2 THR 12 -10.151 -8.125 -9.005
102 H LEU 13 H LEU 13 -10.393 -3.070 -8.407
103 HA LEU 13 HA LEU 13 -7.574 -2.782 -8.456
104 HB2 LEU 13 1HB LEU 13 -9.342 -0.374 -8.225
105 HB3 LEU 13 2HB LEU 13 -7.905 -0.587 -9.206
106 HG LEU 13 HG LEU 13 -10.663 -1.597 -9.724
107 HD11 LEU 13 1HD1 LEU 13 -10.360 0.754 -10.191
108 HD12 LEU 13 2HD1 LEU 13 -10.521 -0.142 -11.700
109 HD13 LEU 13 3HD1 LEU 13 -8.932 0.403 -11.164
110 HD21 LEU 13 1HD2 LEU 13 -8.150 -2.031 -11.352
111 HD22 LEU 13 2HD2 LEU 13 -9.780 -2.482 -11.845
112 HD23 LEU 13 3HD2 LEU 13 -9.029 -3.272 -10.460
113 H TYR 14 H TYR 14 -9.990 -2.362 -6.133
114 HA TYR 14 HA TYR 14 -8.726 -0.174 -4.776
115 HB2 TYR 14 1HB TYR 14 -11.258 -0.603 -5.287
116 HB3 TYR 14 2HB TYR 14 -11.174 -1.518 -3.780
117 HD1 TYR 14 HD1 TYR 14 -10.678 -0.428 -1.698
118 HD2 TYR 14 HD2 TYR 14 -10.967 1.722 -5.347
119 HE1 TYR 14 HE1 TYR 14 -10.742 1.646 -0.418
120 HE2 TYR 14 HE2 TYR 14 -11.057 3.852 -4.078
121 HH TYR 14 HH TYR 14 -10.241 4.078 -0.802
122 H LEU 15 H LEU 15 -9.843 -3.436 -3.999
123 HA LEU 15 HA LEU 15 -8.666 -3.506 -1.435
124 HB2 LEU 15 1HB LEU 15 -9.175 -5.833 -1.460
125 HB3 LEU 15 2HB LEU 15 -10.469 -5.017 -2.318
126 HG LEU 15 HG LEU 15 -8.750 -5.683 -4.354
127 HD11 LEU 15 1HD1 LEU 15 -8.813 -7.980 -2.404
128 HD12 LEU 15 2HD1 LEU 15 -7.390 -7.032 -2.834
129 HD13 LEU 15 3HD1 LEU 15 -8.188 -8.026 -4.052
130 HD21 LEU 15 1HD2 LEU 15 -11.150 -5.864 -4.415
131 HD22 LEU 15 2HD2 LEU 15 -11.109 -7.205 -3.264
132 HD23 LEU 15 3HD2 LEU 15 -10.424 -7.406 -4.877
133 H LYS 16 H LYS 16 -7.507 -3.805 -4.627
134 HA LYS 16 HA LYS 16 -4.961 -4.971 -3.981
135 HB2 LYS 16 1HB LYS 16 -5.890 -5.349 -6.193
136 HB3 LYS 16 2HB LYS 16 -6.059 -3.628 -6.463
137 HG2 LYS 16 1HG LYS 16 -3.366 -4.867 -6.023
138 HG3 LYS 16 2HG LYS 16 -4.133 -4.864 -7.610
139 HD2 LYS 16 1HD LYS 16 -3.740 -2.361 -5.974
140 HD3 LYS 16 2HD LYS 16 -2.533 -2.949 -7.129
141 HE2 LYS 16 1HE LYS 16 -5.395 -2.220 -7.772
142 HE3 LYS 16 2HE LYS 16 -3.979 -1.231 -8.118
143 HZ1 LYS 16 1HZ LYS 16 -4.708 -2.461 -10.063
144 HZ2 LYS 16 2HZ LYS 16 -4.509 -3.926 -9.249
145 HZ3 LYS 16 3HZ LYS 16 -3.165 -2.958 -9.590
146 H ILE 17 H ILE 17 -6.410 -1.852 -4.567
147 HA ILE 17 HA ILE 17 -4.146 -0.258 -4.843
148 HB ILE 17 HB ILE 17 -6.848 0.152 -4.987
149 HG12 ILE 17 1HG1 ILE 17 -6.143 2.591 -5.323
150 HG13 ILE 17 2HG1 ILE 17 -4.519 2.042 -4.902
151 HG21 ILE 17 1HG2 ILE 17 -7.082 0.491 -2.570
152 HG22 ILE 17 2HG2 ILE 17 -7.423 1.977 -3.457
153 HG23 ILE 17 3HG2 ILE 17 -5.879 1.780 -2.629
154 HD11 ILE 17 1HD1 ILE 17 -6.189 0.936 -7.148
155 HD12 ILE 17 2HD1 ILE 17 -4.522 0.505 -6.762
156 HD13 ILE 17 3HD1 ILE 17 -4.903 2.131 -7.333
157 H SER 18 H SER 18 -5.747 -1.512 -2.092
158 HA SER 18 HA SER 18 -4.314 0.210 -0.277
159 HB2 SER 18 1HB SER 18 -6.619 -0.387 0.270
160 HB3 SER 18 2HB SER 18 -6.231 -2.097 0.207
161 HG SER 18 HG SER 18 -5.179 -0.211 2.051
162 H PHE 19 H PHE 19 -4.339 -3.019 -1.478
163 HA PHE 19 HA PHE 19 -2.537 -4.317 0.184
164 HB2 PHE 19 1HB PHE 19 -3.486 -5.846 -1.189
165 HB3 PHE 19 2HB PHE 19 -3.682 -4.674 -2.488
166 HD1 PHE 19 HD1 PHE 19 -2.361 -4.745 -4.340
167 HD2 PHE 19 HD2 PHE 19 -1.111 -6.810 -0.841
168 HE1 PHE 19 HE1 PHE 19 -0.488 -5.685 -5.589
169 HE2 PHE 19 HE2 PHE 19 0.773 -7.777 -2.085
170 HZ PHE 19 HZ PHE 19 1.090 -7.220 -4.468
171 H LEU 20 H LEU 20 -1.748 -2.860 -3.029
172 HA LEU 20 HA LEU 20 1.053 -3.232 -2.507
173 HB2 LEU 20 1HB LEU 20 1.502 -2.347 -4.604
174 HB3 LEU 20 2HB LEU 20 -0.075 -3.072 -4.822
175 HG LEU 20 HG LEU 20 0.374 -0.133 -4.331
176 HD11 LEU 20 1HD1 LEU 20 -0.112 -1.607 -6.915
177 HD12 LEU 20 2HD1 LEU 20 1.370 -0.774 -6.452
178 HD13 LEU 20 3HD1 LEU 20 -0.109 0.144 -6.723
179 HD21 LEU 20 1HD2 LEU 20 -1.798 -0.561 -3.689
180 HD22 LEU 20 2HD2 LEU 20 -2.001 -1.835 -4.907
181 HD23 LEU 20 3HD2 LEU 20 -1.974 -0.136 -5.400
182 H GLY 21 H GLY 21 -1.294 -0.856 -1.898
183 HA2 GLY 21 1HA GLY 21 0.373 1.356 -1.337
184 HA3 GLY 21 2HA GLY 21 -1.267 1.088 -0.755
185 H CYS 22 H CYS 22 0.020 -1.599 0.175
186 HA CYS 22 HA CYS 22 0.672 -0.774 2.880
187 HB2 CYS 22 1HB CYS 22 0.460 -3.499 1.582
188 HB3 CYS 22 2HB CYS 22 0.872 -3.231 3.266
189 HG CYS 22 HG CYS 22 -2.085 -2.170 1.920
190 H LYS 23 H LYS 23 1.998 -2.579 0.213
191 HA LYS 23 HA LYS 23 4.604 -2.962 1.009
192 HB2 LYS 23 1HB LYS 23 3.432 -2.276 -1.651
193 HB3 LYS 23 2HB LYS 23 5.108 -2.768 -1.449
194 HG2 LYS 23 1HG LYS 23 4.364 -4.936 -0.576
195 HG3 LYS 23 2HG LYS 23 2.686 -4.441 -0.803
196 HD2 LYS 23 1HD LYS 23 2.989 -4.298 -3.181
197 HD3 LYS 23 2HD LYS 23 4.722 -4.579 -3.022
198 HE2 LYS 23 1HE LYS 23 2.572 -6.546 -2.251
199 HE3 LYS 23 2HE LYS 23 3.471 -6.581 -3.766
200 HZ1 LYS 23 1HZ LYS 23 4.398 -8.113 -2.148
201 HZ2 LYS 23 2HZ LYS 23 4.651 -6.855 -1.054
202 HZ3 LYS 23 3HZ LYS 23 5.510 -6.893 -2.508
203 H VAL 24 H VAL 24 2.999 -0.257 -0.397
204 HA VAL 24 HA VAL 24 5.415 1.289 -0.567
205 HB VAL 24 HB VAL 24 2.583 2.128 -1.067
206 HG11 VAL 24 1HG1 VAL 24 4.010 4.030 -0.627
207 HG12 VAL 24 2HG1 VAL 24 3.576 3.980 -2.335
208 HG13 VAL 24 3HG1 VAL 24 5.174 3.452 -1.816
209 HG21 VAL 24 1HG2 VAL 24 3.314 0.299 -2.515
210 HG22 VAL 24 2HG2 VAL 24 4.714 1.256 -3.002
211 HG23 VAL 24 3HG2 VAL 24 3.087 1.794 -3.427
212 H VAL 25 H VAL 25 2.794 0.799 1.568
213 HA VAL 25 HA VAL 25 3.232 3.084 3.214
214 HB VAL 25 HB VAL 25 1.818 0.517 3.571
215 HG11 VAL 25 1HG1 VAL 25 3.373 0.411 5.492
216 HG12 VAL 25 2HG1 VAL 25 1.702 0.656 6.000
217 HG13 VAL 25 3HG1 VAL 25 2.830 2.012 5.994
218 HG21 VAL 25 1HG2 VAL 25 0.676 2.549 3.035
219 HG22 VAL 25 2HG2 VAL 25 1.387 3.349 4.443
220 HG23 VAL 25 3HG2 VAL 25 0.222 2.041 4.663
221 H ALA 26 H ALA 26 4.697 -0.033 2.851
222 HA ALA 26 HA ALA 26 6.325 0.050 5.121
223 HB1 ALA 26 1HB ALA 26 7.638 -1.702 4.047
224 HB2 ALA 26 2HB ALA 26 6.838 -1.367 2.512
225 HB3 ALA 26 3HB ALA 26 5.910 -2.008 3.869
226 H LEU 27 H LEU 27 6.649 1.560 1.952
227 HA LEU 27 HA LEU 27 9.323 2.411 2.728
228 HB2 LEU 27 1HB LEU 27 9.567 3.368 0.538
229 HB3 LEU 27 2HB LEU 27 9.011 1.713 0.436
230 HG LEU 27 HG LEU 27 6.648 2.837 0.183
231 HD11 LEU 27 1HD1 LEU 27 7.383 5.124 0.583
232 HD12 LEU 27 2HD1 LEU 27 6.759 4.945 -1.057
233 HD13 LEU 27 3HD1 LEU 27 8.499 5.017 -0.778
234 HD21 LEU 27 1HD2 LEU 27 7.667 1.417 -1.478
235 HD22 LEU 27 2HD2 LEU 27 8.736 2.723 -1.987
236 HD23 LEU 27 3HD2 LEU 27 7.000 2.846 -2.264
237 H LEU 28 H LEU 28 6.117 3.640 2.611
238 HA LEU 28 HA LEU 28 6.894 6.413 2.817
239 HB2 LEU 28 1HB LEU 28 4.986 6.210 1.584
240 HB3 LEU 28 2HB LEU 28 4.385 4.863 2.527
241 HG LEU 28 HG LEU 28 4.319 7.054 4.262
242 HD11 LEU 28 1HD1 LEU 28 4.598 8.555 2.367
243 HD12 LEU 28 2HD1 LEU 28 2.969 8.682 3.031
244 HD13 LEU 28 3HD1 LEU 28 3.247 7.780 1.540
245 HD21 LEU 28 1HD2 LEU 28 2.794 5.136 4.135
246 HD22 LEU 28 2HD2 LEU 28 2.116 5.791 2.641
247 HD23 LEU 28 3HD2 LEU 28 1.930 6.677 4.155
248 H LYS 29 H LYS 29 4.727 4.458 4.904
249 HA LYS 29 HA LYS 29 5.351 6.162 7.166
250 HB2 LYS 29 1HB LYS 29 3.506 3.803 6.821
251 HB3 LYS 29 2HB LYS 29 3.788 4.559 8.382
252 HG2 LYS 29 1HG LYS 29 2.851 6.624 7.620
253 HG3 LYS 29 2HG LYS 29 2.725 6.008 5.972
254 HD2 LYS 29 1HD LYS 29 0.560 5.932 7.067
255 HD3 LYS 29 2HD LYS 29 1.140 4.299 6.750
256 HE2 LYS 29 1HE LYS 29 1.952 4.198 9.101
257 HE3 LYS 29 2HE LYS 29 1.201 5.768 9.383
258 HZ1 LYS 29 1HZ LYS 29 -0.233 3.978 10.109
259 HZ2 LYS 29 2HZ LYS 29 -0.208 3.285 8.569
260 HZ3 LYS 29 3HZ LYS 29 -0.941 4.789 8.806
261 H ARG 30 H ARG 30 5.938 3.010 5.970
262 HA ARG 30 HA ARG 30 7.442 1.413 6.420
263 HB2 ARG 30 1HB ARG 30 8.789 3.474 8.178
264 HB3 ARG 30 2HB ARG 30 9.512 1.975 7.605
265 HG2 ARG 30 1HG ARG 30 9.240 2.776 5.287
266 HG3 ARG 30 2HG ARG 30 8.634 4.306 5.919
267 HD2 ARG 30 1HD ARG 30 10.761 4.653 7.084
268 HD3 ARG 30 2HD ARG 30 11.362 3.131 6.424
269 HE ARG 30 HE ARG 30 10.439 5.031 4.451
270 HH11 ARG 30 1HH1 ARG 30 13.173 3.846 6.287
271 HH12 ARG 30 2HH1 ARG 30 14.348 4.485 5.183
272 HH21 ARG 30 1HH2 ARG 30 11.989 5.871 3.003
273 HH22 ARG 30 2HH2 ARG 30 13.678 5.633 3.321
Start of MODEL 8
1 H1 MET 1 1H MET 1 -16.444 -15.662 -19.908
2 H2 MET 1 2H MET 1 -17.765 -16.365 -19.126
3 H3 MET 1 3H MET 1 -16.989 -17.189 -20.380
4 HA MET 1 HA MET 1 -16.400 -18.086 -18.216
5 HB2 MET 1 1HB MET 1 -14.806 -18.254 -20.063
6 HB3 MET 1 2HB MET 1 -14.169 -16.660 -19.684
7 HG2 MET 1 1HG MET 1 -12.707 -18.433 -18.887
8 HG3 MET 1 2HG MET 1 -13.340 -17.468 -17.556
9 HE1 MET 1 1HE MET 1 -13.059 -21.004 -15.930
10 HE2 MET 1 2HE MET 1 -12.637 -19.297 -15.798
11 HE3 MET 1 3HE MET 1 -11.951 -20.276 -17.094
12 H ALA 2 H ALA 2 -16.969 -17.279 -16.285
13 HA ALA 2 HA ALA 2 -16.918 -16.093 -14.351
14 HB1 ALA 2 1HB ALA 2 -14.721 -15.466 -13.512
15 HB2 ALA 2 2HB ALA 2 -14.038 -15.635 -15.130
16 HB3 ALA 2 3HB ALA 2 -14.664 -17.052 -14.286
17 H THR 3 H THR 3 -18.192 -14.637 -16.101
18 HA THR 3 HA THR 3 -16.984 -12.162 -16.791
19 HB THR 3 HB THR 3 -18.892 -13.147 -18.048
20 HG1 THR 3 HG1 THR 3 -18.407 -10.876 -18.167
21 HG21 THR 3 1HG2 THR 3 -21.174 -12.841 -17.191
22 HG22 THR 3 2HG2 THR 3 -20.518 -12.258 -15.661
23 HG23 THR 3 3HG2 THR 3 -20.239 -13.925 -16.162
24 H LYS 4 H LYS 4 -17.302 -10.125 -15.950
25 HA LYS 4 HA LYS 4 -17.980 -10.009 -13.123
26 HB2 LYS 4 1HB LYS 4 -16.964 -7.830 -14.961
27 HB3 LYS 4 2HB LYS 4 -17.066 -7.750 -13.208
28 HG2 LYS 4 1HG LYS 4 -15.368 -9.409 -12.964
29 HG3 LYS 4 2HG LYS 4 -15.360 -9.722 -14.700
30 HD2 LYS 4 1HD LYS 4 -14.612 -7.411 -15.091
31 HD3 LYS 4 2HD LYS 4 -14.572 -7.148 -13.348
32 HE2 LYS 4 1HE LYS 4 -12.343 -7.624 -14.182
33 HE3 LYS 4 2HE LYS 4 -12.893 -8.924 -13.127
34 HZ1 LYS 4 1HZ LYS 4 -11.813 -9.784 -15.101
35 HZ2 LYS 4 2HZ LYS 4 -12.915 -8.980 -16.095
36 HZ3 LYS 4 3HZ LYS 4 -13.442 -10.227 -15.087
37 H HIS 5 H HIS 5 -20.182 -10.158 -13.035
38 HA HIS 5 HA HIS 5 -21.793 -8.480 -14.791
39 HB2 HIS 5 1HB HIS 5 -22.382 -10.888 -14.406
40 HB3 HIS 5 2HB HIS 5 -22.729 -10.487 -12.728
41 HD1 HIS 5 HD1 HIS 5 -25.068 -9.789 -12.239
42 HD2 HIS 5 HD2 HIS 5 -24.130 -9.427 -16.270
43 HE1 HIS 5 HE1 HIS 5 -27.215 -9.139 -13.378
44 HE2 HIS 5 HE2 HIS 5 -26.619 -8.906 -15.815
45 H GLY 6 H GLY 6 -20.777 -6.615 -13.618
46 HA2 GLY 6 1HA GLY 6 -22.416 -5.018 -12.318
47 HA3 GLY 6 2HA GLY 6 -21.956 -6.084 -10.999
48 H LYS 7 H LYS 7 -21.383 -3.594 -10.529
49 HA LYS 7 HA LYS 7 -18.763 -2.897 -11.537
50 HB2 LYS 7 1HB LYS 7 -19.027 -0.915 -10.000
51 HB3 LYS 7 2HB LYS 7 -20.209 -1.045 -11.291
52 HG2 LYS 7 1HG LYS 7 -21.832 -1.959 -9.698
53 HG3 LYS 7 2HG LYS 7 -20.640 -1.800 -8.407
54 HD2 LYS 7 1HD LYS 7 -20.560 0.617 -8.787
55 HD3 LYS 7 2HD LYS 7 -21.759 0.454 -10.068
56 HE2 LYS 7 1HE LYS 7 -23.385 -0.370 -8.466
57 HE3 LYS 7 2HE LYS 7 -22.184 -0.288 -7.179
58 HZ1 LYS 7 1HZ LYS 7 -23.157 2.040 -8.735
59 HZ2 LYS 7 2HZ LYS 7 -22.088 2.087 -7.428
60 HZ3 LYS 7 3HZ LYS 7 -23.696 1.618 -7.188
61 H ASN 8 H ASN 8 -17.556 -4.647 -10.725
62 HA ASN 8 HA ASN 8 -16.981 -4.405 -7.847
63 HB2 ASN 8 1HB ASN 8 -16.233 -6.711 -7.853
64 HB3 ASN 8 2HB ASN 8 -17.870 -6.618 -8.486
65 HD21 ASN 8 1HD2 ASN 8 -15.824 -8.671 -8.838
66 HD22 ASN 8 2HD2 ASN 8 -15.574 -8.813 -10.543
67 H SER 9 H SER 9 -15.706 -4.345 -11.051
68 HA SER 9 HA SER 9 -13.040 -4.639 -10.790
69 HB2 SER 9 1HB SER 9 -14.344 -2.459 -12.416
70 HB3 SER 9 2HB SER 9 -12.800 -3.247 -12.738
71 HG SER 9 HG SER 9 -14.634 -4.052 -13.975
72 H TRP 10 H TRP 10 -14.826 -1.641 -10.008
73 HA TRP 10 HA TRP 10 -12.619 -0.006 -9.525
74 HB2 TRP 10 1HB TRP 10 -14.105 1.503 -8.482
75 HB3 TRP 10 2HB TRP 10 -15.112 0.658 -9.651
76 HD1 TRP 10 HD1 TRP 10 -17.098 -0.808 -8.710
77 HE1 TRP 10 HE1 TRP 10 -18.134 -1.094 -6.373
78 HE3 TRP 10 HE3 TRP 10 -13.423 1.409 -5.939
79 HZ2 TRP 10 HZ2 TRP 10 -17.473 -0.464 -3.703
80 HZ3 TRP 10 HZ3 TRP 10 -13.704 1.524 -3.493
81 HH2 TRP 10 HH2 TRP 10 -15.682 0.597 -2.403
82 H LYS 11 H LYS 11 -14.184 -2.459 -7.701
83 HA LYS 11 HA LYS 11 -13.023 -1.738 -5.164
84 HB2 LYS 11 1HB LYS 11 -15.319 -2.937 -5.800
85 HB3 LYS 11 2HB LYS 11 -14.316 -4.373 -5.663
86 HG2 LYS 11 1HG LYS 11 -13.680 -2.928 -3.422
87 HG3 LYS 11 2HG LYS 11 -15.402 -2.648 -3.635
88 HD2 LYS 11 1HD LYS 11 -15.019 -4.586 -2.217
89 HD3 LYS 11 2HD LYS 11 -15.792 -5.060 -3.730
90 HE2 LYS 11 1HE LYS 11 -13.570 -5.721 -4.610
91 HE3 LYS 11 2HE LYS 11 -12.865 -5.312 -3.048
92 HZ1 LYS 11 1HZ LYS 11 -13.302 -7.688 -3.269
93 HZ2 LYS 11 2HZ LYS 11 -14.948 -7.379 -3.490
94 HZ3 LYS 11 3HZ LYS 11 -14.211 -7.013 -2.013
95 H THR 12 H THR 12 -12.546 -3.884 -7.795
96 HA THR 12 HA THR 12 -10.539 -5.505 -6.614
97 HB THR 12 HB THR 12 -10.703 -5.049 -9.565
98 HG1 THR 12 HG1 THR 12 -12.686 -6.115 -7.862
99 HG21 THR 12 1HG2 THR 12 -10.280 -7.435 -9.592
100 HG22 THR 12 2HG2 THR 12 -10.414 -7.490 -7.834
101 HG23 THR 12 3HG2 THR 12 -9.078 -6.614 -8.588
102 H LEU 13 H LEU 13 -10.602 -2.460 -8.352
103 HA LEU 13 HA LEU 13 -7.781 -2.107 -8.558
104 HB2 LEU 13 1HB LEU 13 -9.543 0.226 -7.917
105 HB3 LEU 13 2HB LEU 13 -8.213 0.135 -9.052
106 HG LEU 13 HG LEU 13 -11.016 -0.849 -9.423
107 HD11 LEU 13 1HD1 LEU 13 -9.453 1.371 -10.735
108 HD12 LEU 13 2HD1 LEU 13 -10.786 1.553 -9.593
109 HD13 LEU 13 3HD1 LEU 13 -11.080 0.862 -11.190
110 HD21 LEU 13 1HD2 LEU 13 -8.691 -0.982 -11.360
111 HD22 LEU 13 2HD2 LEU 13 -10.356 -1.442 -11.710
112 HD23 LEU 13 3HD2 LEU 13 -9.416 -2.363 -10.537
113 H TYR 14 H TYR 14 -10.062 -2.055 -6.067
114 HA TYR 14 HA TYR 14 -8.794 -0.005 -4.506
115 HB2 TYR 14 1HB TYR 14 -11.330 -0.450 -4.990
116 HB3 TYR 14 2HB TYR 14 -11.167 -1.557 -3.630
117 HD1 TYR 14 HD1 TYR 14 -10.856 -0.766 -1.419
118 HD2 TYR 14 HD2 TYR 14 -10.973 1.901 -4.721
119 HE1 TYR 14 HE1 TYR 14 -11.022 1.106 0.143
120 HE2 TYR 14 HE2 TYR 14 -11.156 3.815 -3.170
121 HH TYR 14 HH TYR 14 -11.934 4.218 -0.823
122 H LEU 15 H LEU 15 -9.860 -3.345 -4.045
123 HA LEU 15 HA LEU 15 -8.595 -3.724 -1.567
124 HB2 LEU 15 1HB LEU 15 -8.998 -6.063 -1.911
125 HB3 LEU 15 2HB LEU 15 -10.358 -5.186 -2.589
126 HG LEU 15 HG LEU 15 -8.732 -5.463 -4.773
127 HD11 LEU 15 1HD1 LEU 15 -7.193 -6.927 -3.585
128 HD12 LEU 15 2HD1 LEU 15 -8.043 -7.798 -4.859
129 HD13 LEU 15 3HD1 LEU 15 -8.523 -8.010 -3.176
130 HD21 LEU 15 1HD2 LEU 15 -11.105 -5.783 -4.764
131 HD22 LEU 15 2HD2 LEU 15 -10.945 -7.251 -3.793
132 HD23 LEU 15 3HD2 LEU 15 -10.332 -7.216 -5.448
133 H LYS 16 H LYS 16 -7.491 -3.605 -4.797
134 HA LYS 16 HA LYS 16 -4.926 -4.816 -4.360
135 HB2 LYS 16 1HB LYS 16 -5.964 -4.873 -6.593
136 HB3 LYS 16 2HB LYS 16 -6.026 -3.124 -6.618
137 HG2 LYS 16 1HG LYS 16 -3.402 -4.533 -6.363
138 HG3 LYS 16 2HG LYS 16 -4.171 -4.324 -7.936
139 HD2 LYS 16 1HD LYS 16 -3.696 -2.035 -6.033
140 HD3 LYS 16 2HD LYS 16 -2.498 -2.538 -7.240
141 HE2 LYS 16 1HE LYS 16 -5.335 -1.702 -7.852
142 HE3 LYS 16 2HE LYS 16 -3.923 -0.659 -8.000
143 HZ1 LYS 16 1HZ LYS 16 -4.504 -1.578 -10.130
144 HZ2 LYS 16 2HZ LYS 16 -4.422 -3.156 -9.528
145 HZ3 LYS 16 3HZ LYS 16 -3.020 -2.218 -9.633
146 H ILE 17 H ILE 17 -6.353 -1.645 -4.727
147 HA ILE 17 HA ILE 17 -4.124 -0.018 -4.793
148 HB ILE 17 HB ILE 17 -6.845 0.340 -4.872
149 HG12 ILE 17 1HG1 ILE 17 -6.175 2.836 -4.995
150 HG13 ILE 17 2HG1 ILE 17 -4.532 2.239 -4.752
151 HG21 ILE 17 1HG2 ILE 17 -7.081 0.509 -2.460
152 HG22 ILE 17 2HG2 ILE 17 -7.403 2.071 -3.215
153 HG23 ILE 17 3HG2 ILE 17 -5.863 1.784 -2.406
154 HD11 ILE 17 1HD1 ILE 17 -4.698 0.882 -6.742
155 HD12 ILE 17 2HD1 ILE 17 -5.097 2.558 -7.130
156 HD13 ILE 17 3HD1 ILE 17 -6.382 1.356 -6.957
157 H SER 18 H SER 18 -5.766 -1.454 -2.124
158 HA SER 18 HA SER 18 -4.335 0.173 -0.215
159 HB2 SER 18 1HB SER 18 -6.710 -0.460 0.189
160 HB3 SER 18 2HB SER 18 -6.230 -2.154 0.256
161 HG SER 18 HG SER 18 -6.431 -1.108 2.330
162 H PHE 19 H PHE 19 -4.410 -3.038 -1.511
163 HA PHE 19 HA PHE 19 -2.688 -4.414 0.154
164 HB2 PHE 19 1HB PHE 19 -3.613 -5.861 -1.331
165 HB3 PHE 19 2HB PHE 19 -3.680 -4.645 -2.606
166 HD1 PHE 19 HD1 PHE 19 -2.291 -4.808 -4.394
167 HD2 PHE 19 HD2 PHE 19 -1.212 -6.788 -0.789
168 HE1 PHE 19 HE1 PHE 19 -0.340 -5.752 -5.517
169 HE2 PHE 19 HE2 PHE 19 0.745 -7.762 -1.905
170 HZ PHE 19 HZ PHE 19 1.190 -7.251 -4.280
171 H LEU 20 H LEU 20 -1.748 -2.883 -2.978
172 HA LEU 20 HA LEU 20 1.013 -3.311 -2.283
173 HB2 LEU 20 1HB LEU 20 1.615 -2.516 -4.367
174 HB3 LEU 20 2HB LEU 20 0.034 -3.203 -4.667
175 HG LEU 20 HG LEU 20 0.566 -0.263 -4.262
176 HD11 LEU 20 1HD1 LEU 20 1.623 -1.075 -6.299
177 HD12 LEU 20 2HD1 LEU 20 0.222 -0.074 -6.675
178 HD13 LEU 20 3HD1 LEU 20 0.110 -1.827 -6.797
179 HD21 LEU 20 1HD2 LEU 20 -1.653 -0.589 -3.689
180 HD22 LEU 20 2HD2 LEU 20 -1.861 -1.887 -4.878
181 HD23 LEU 20 3HD2 LEU 20 -1.739 -0.206 -5.415
182 H GLY 21 H GLY 21 -1.322 -0.887 -1.862
183 HA2 GLY 21 1HA GLY 21 0.346 1.313 -1.278
184 HA3 GLY 21 2HA GLY 21 -1.314 1.075 -0.746
185 H CYS 22 H CYS 22 -0.127 -1.596 0.299
186 HA CYS 22 HA CYS 22 0.491 -0.738 2.998
187 HB2 CYS 22 1HB CYS 22 0.254 -3.463 1.706
188 HB3 CYS 22 2HB CYS 22 0.669 -3.210 3.390
189 HG CYS 22 HG CYS 22 -2.238 -1.938 2.163
190 H LYS 23 H LYS 23 1.835 -2.645 0.415
191 HA LYS 23 HA LYS 23 4.423 -3.031 1.266
192 HB2 LYS 23 1HB LYS 23 3.405 -2.376 -1.470
193 HB3 LYS 23 2HB LYS 23 4.972 -3.092 -1.128
194 HG2 LYS 23 1HG LYS 23 3.923 -5.100 -0.292
195 HG3 LYS 23 2HG LYS 23 2.328 -4.371 -0.459
196 HD2 LYS 23 1HD LYS 23 2.695 -5.869 -2.299
197 HD3 LYS 23 2HD LYS 23 2.708 -4.213 -2.902
198 HE2 LYS 23 1HE LYS 23 4.480 -5.501 -3.929
199 HE3 LYS 23 2HE LYS 23 5.155 -4.242 -2.900
200 HZ1 LYS 23 1HZ LYS 23 6.269 -6.418 -2.677
201 HZ2 LYS 23 2HZ LYS 23 4.834 -7.071 -2.069
202 HZ3 LYS 23 3HZ LYS 23 5.632 -5.849 -1.217
203 H VAL 24 H VAL 24 2.911 -0.402 -0.352
204 HA VAL 24 HA VAL 24 5.314 1.144 -0.544
205 HB VAL 24 HB VAL 24 2.468 1.944 -1.035
206 HG11 VAL 24 1HG1 VAL 24 3.885 3.873 -0.628
207 HG12 VAL 24 2HG1 VAL 24 3.387 3.803 -2.319
208 HG13 VAL 24 3HG1 VAL 24 5.014 3.306 -1.856
209 HG21 VAL 24 1HG2 VAL 24 4.598 1.116 -2.986
210 HG22 VAL 24 2HG2 VAL 24 2.933 1.554 -3.378
211 HG23 VAL 24 3HG2 VAL 24 3.270 0.092 -2.438
212 H VAL 25 H VAL 25 2.713 0.740 1.640
213 HA VAL 25 HA VAL 25 3.087 3.063 3.205
214 HB VAL 25 HB VAL 25 1.786 0.472 3.609
215 HG11 VAL 25 1HG1 VAL 25 3.406 0.253 5.432
216 HG12 VAL 25 2HG1 VAL 25 1.781 0.536 6.057
217 HG13 VAL 25 3HG1 VAL 25 2.957 1.852 6.026
218 HG21 VAL 25 1HG2 VAL 25 1.356 3.261 4.613
219 HG22 VAL 25 2HG2 VAL 25 0.231 1.922 4.862
220 HG23 VAL 25 3HG2 VAL 25 0.576 2.493 3.227
221 H ALA 26 H ALA 26 4.747 0.017 2.953
222 HA ALA 26 HA ALA 26 6.417 0.310 5.184
223 HB1 ALA 26 1HB ALA 26 7.821 -1.393 4.175
224 HB2 ALA 26 2HB ALA 26 6.994 -1.180 2.633
225 HB3 ALA 26 3HB ALA 26 6.118 -1.823 4.021
226 H LEU 27 H LEU 27 6.613 1.631 1.914
227 HA LEU 27 HA LEU 27 9.269 2.627 2.557
228 HB2 LEU 27 1HB LEU 27 9.412 3.449 0.311
229 HB3 LEU 27 2HB LEU 27 8.903 1.778 0.324
230 HG LEU 27 HG LEU 27 6.509 2.761 0.037
231 HD11 LEU 27 1HD1 LEU 27 8.186 5.042 -1.005
232 HD12 LEU 27 2HD1 LEU 27 7.127 5.102 0.404
233 HD13 LEU 27 3HD1 LEU 27 6.444 4.855 -1.204
234 HD21 LEU 27 1HD2 LEU 27 7.646 1.396 -1.611
235 HD22 LEU 27 2HD2 LEU 27 8.570 2.791 -2.164
236 HD23 LEU 27 3HD2 LEU 27 6.825 2.740 -2.403
237 H LEU 28 H LEU 28 6.019 3.700 2.576
238 HA LEU 28 HA LEU 28 6.673 6.515 2.563
239 HB2 LEU 28 1HB LEU 28 4.693 6.115 1.482
240 HB3 LEU 28 2HB LEU 28 4.228 4.831 2.576
241 HG LEU 28 HG LEU 28 4.146 7.069 4.180
242 HD11 LEU 28 1HD1 LEU 28 4.421 8.529 2.245
243 HD12 LEU 28 2HD1 LEU 28 2.819 8.705 2.961
244 HD13 LEU 28 3HD1 LEU 28 3.024 7.778 1.475
245 HD21 LEU 28 1HD2 LEU 28 1.737 6.730 4.067
246 HD22 LEU 28 2HD2 LEU 28 2.603 5.192 4.143
247 HD23 LEU 28 3HD2 LEU 28 1.938 5.758 2.609
248 H LYS 29 H LYS 29 4.672 4.654 4.867
249 HA LYS 29 HA LYS 29 5.506 6.423 7.017
250 HB2 LYS 29 1HB LYS 29 3.452 4.229 6.842
251 HB3 LYS 29 2HB LYS 29 3.873 5.003 8.365
252 HG2 LYS 29 1HG LYS 29 3.174 7.153 7.492
253 HG3 LYS 29 2HG LYS 29 2.801 6.412 5.934
254 HD2 LYS 29 1HD LYS 29 1.034 5.121 6.890
255 HD3 LYS 29 2HD LYS 29 1.509 5.580 8.525
256 HE2 LYS 29 1HE LYS 29 -0.470 6.814 7.780
257 HE3 LYS 29 2HE LYS 29 0.894 7.890 8.075
258 HZ1 LYS 29 1HZ LYS 29 -0.306 8.436 6.037
259 HZ2 LYS 29 2HZ LYS 29 0.047 6.911 5.406
260 HZ3 LYS 29 3HZ LYS 29 1.295 8.006 5.715
261 H ARG 30 H ARG 30 5.981 3.279 5.838
262 HA ARG 30 HA ARG 30 7.479 1.664 6.274
263 HB2 ARG 30 1HB ARG 30 8.580 3.470 8.436
264 HB3 ARG 30 2HB ARG 30 9.347 2.014 7.821
265 HG2 ARG 30 1HG ARG 30 9.622 3.053 5.644
266 HG3 ARG 30 2HG ARG 30 8.790 4.501 6.218
267 HD2 ARG 30 1HD ARG 30 10.553 4.751 7.949
268 HD3 ARG 30 2HD ARG 30 11.407 3.393 7.218
269 HE ARG 30 HE ARG 30 11.051 5.110 5.150
270 HH11 ARG 30 1HH1 ARG 30 12.422 5.419 8.347
271 HH12 ARG 30 2HH1 ARG 30 13.531 6.669 7.899
272 HH21 ARG 30 1HH2 ARG 30 12.506 6.758 4.538
273 HH22 ARG 30 2HH2 ARG 30 13.589 7.427 5.717
Start of MODEL 9
1 H1 MET 1 1H MET 1 -11.576 -4.894 -21.354
2 H2 MET 1 2H MET 1 -10.898 -3.850 -20.212
3 H3 MET 1 3H MET 1 -9.939 -5.031 -20.949
4 HA MET 1 HA MET 1 -9.517 -2.833 -21.857
5 HB2 MET 1 1HB MET 1 -10.883 -4.760 -23.748
6 HB3 MET 1 2HB MET 1 -9.890 -3.406 -24.256
7 HG2 MET 1 1HG MET 1 -8.552 -5.344 -24.398
8 HG3 MET 1 2HG MET 1 -7.992 -4.434 -22.997
9 HE1 MET 1 1HE MET 1 -11.181 -6.756 -23.361
10 HE2 MET 1 2HE MET 1 -10.525 -8.288 -22.787
11 HE3 MET 1 3HE MET 1 -9.920 -7.576 -24.283
12 H ALA 2 H ALA 2 -10.417 -1.332 -23.626
13 HA ALA 2 HA ALA 2 -11.875 0.319 -24.167
14 HB1 ALA 2 1HB ALA 2 -14.175 -0.324 -24.649
15 HB2 ALA 2 2HB ALA 2 -13.949 -1.837 -23.771
16 HB3 ALA 2 3HB ALA 2 -13.047 -1.536 -25.256
17 H THR 3 H THR 3 -11.049 0.256 -21.517
18 HA THR 3 HA THR 3 -11.468 1.017 -19.428
19 HB THR 3 HB THR 3 -12.892 3.012 -19.255
20 HG1 THR 3 HG1 THR 3 -14.073 1.949 -21.430
21 HG21 THR 3 1HG2 THR 3 -11.167 2.959 -21.734
22 HG22 THR 3 2HG2 THR 3 -10.610 3.250 -20.087
23 HG23 THR 3 3HG2 THR 3 -11.680 4.410 -20.872
24 H LYS 4 H LYS 4 -12.588 -1.361 -19.642
25 HA LYS 4 HA LYS 4 -15.402 -1.401 -19.181
26 HB2 LYS 4 1HB LYS 4 -14.159 -3.288 -20.213
27 HB3 LYS 4 2HB LYS 4 -13.361 -3.573 -18.672
28 HG2 LYS 4 1HG LYS 4 -15.529 -4.059 -17.644
29 HG3 LYS 4 2HG LYS 4 -16.319 -3.793 -19.198
30 HD2 LYS 4 1HD LYS 4 -14.988 -5.625 -20.164
31 HD3 LYS 4 2HD LYS 4 -14.260 -5.909 -18.583
32 HE2 LYS 4 1HE LYS 4 -17.200 -6.112 -19.223
33 HE3 LYS 4 2HE LYS 4 -16.094 -7.473 -19.065
34 HZ1 LYS 4 1HZ LYS 4 -17.349 -7.135 -17.041
35 HZ2 LYS 4 2HZ LYS 4 -16.790 -5.545 -16.920
36 HZ3 LYS 4 3HZ LYS 4 -15.708 -6.832 -16.762
37 H HIS 5 H HIS 5 -15.944 -0.205 -17.425
38 HA HIS 5 HA HIS 5 -14.662 -0.729 -14.868
39 HB2 HIS 5 1HB HIS 5 -16.928 1.145 -15.584
40 HB3 HIS 5 2HB HIS 5 -16.158 1.041 -14.007
41 HD1 HIS 5 HD1 HIS 5 -16.164 3.148 -16.783
42 HD2 HIS 5 HD2 HIS 5 -13.121 1.483 -14.494
43 HE1 HIS 5 HE1 HIS 5 -14.161 4.615 -17.156
44 HE2 HIS 5 HE2 HIS 5 -12.395 3.699 -15.615
45 H GLY 6 H GLY 6 -15.259 -2.783 -14.290
46 HA2 GLY 6 1HA GLY 6 -17.966 -3.702 -14.384
47 HA3 GLY 6 2HA GLY 6 -16.633 -4.481 -13.542
48 H LYS 7 H LYS 7 -19.173 -4.400 -12.439
49 HA LYS 7 HA LYS 7 -19.311 -2.159 -10.622
50 HB2 LYS 7 1HB LYS 7 -21.316 -3.281 -11.735
51 HB3 LYS 7 2HB LYS 7 -21.071 -4.603 -10.607
52 HG2 LYS 7 1HG LYS 7 -22.804 -3.140 -9.798
53 HG3 LYS 7 2HG LYS 7 -21.398 -3.046 -8.734
54 HD2 LYS 7 1HD LYS 7 -20.706 -0.972 -9.801
55 HD3 LYS 7 2HD LYS 7 -22.062 -1.077 -10.924
56 HE2 LYS 7 1HE LYS 7 -22.567 0.487 -9.150
57 HE3 LYS 7 2HE LYS 7 -23.619 -0.921 -9.034
58 HZ1 LYS 7 1HZ LYS 7 -22.739 -0.202 -6.879
59 HZ2 LYS 7 2HZ LYS 7 -21.166 -0.509 -7.414
60 HZ3 LYS 7 3HZ LYS 7 -22.269 -1.778 -7.259
61 H ASN 8 H ASN 8 -17.539 -4.770 -10.711
62 HA ASN 8 HA ASN 8 -17.208 -4.831 -7.796
63 HB2 ASN 8 1HB ASN 8 -16.595 -7.223 -7.908
64 HB3 ASN 8 2HB ASN 8 -18.264 -6.943 -8.392
65 HD21 ASN 8 1HD2 ASN 8 -16.533 -9.183 -8.984
66 HD22 ASN 8 2HD2 ASN 8 -16.440 -9.290 -10.708
67 H SER 9 H SER 9 -15.782 -5.147 -10.976
68 HA SER 9 HA SER 9 -13.145 -5.286 -10.620
69 HB2 SER 9 1HB SER 9 -14.084 -4.943 -12.804
70 HB3 SER 9 2HB SER 9 -14.669 -3.343 -12.359
71 HG SER 9 HG SER 9 -11.920 -4.027 -12.331
72 H TRP 10 H TRP 10 -15.076 -2.371 -9.909
73 HA TRP 10 HA TRP 10 -12.976 -0.599 -9.463
74 HB2 TRP 10 1HB TRP 10 -14.555 0.833 -8.456
75 HB3 TRP 10 2HB TRP 10 -15.504 -0.102 -9.604
76 HD1 TRP 10 HD1 TRP 10 -17.411 -1.646 -8.623
77 HE1 TRP 10 HE1 TRP 10 -18.422 -1.929 -6.270
78 HE3 TRP 10 HE3 TRP 10 -13.851 0.830 -5.921
79 HZ2 TRP 10 HZ2 TRP 10 -17.794 -1.190 -3.619
80 HZ3 TRP 10 HZ3 TRP 10 -14.134 1.000 -3.476
81 HH2 TRP 10 HH2 TRP 10 -16.061 0.003 -2.352
82 H LYS 11 H LYS 11 -14.379 -3.099 -7.570
83 HA LYS 11 HA LYS 11 -13.254 -2.244 -5.058
84 HB2 LYS 11 1HB LYS 11 -15.479 -3.590 -5.665
85 HB3 LYS 11 2HB LYS 11 -14.394 -4.961 -5.483
86 HG2 LYS 11 1HG LYS 11 -13.888 -3.348 -3.287
87 HG3 LYS 11 2HG LYS 11 -15.633 -3.314 -3.509
88 HD2 LYS 11 1HD LYS 11 -14.962 -5.131 -2.021
89 HD3 LYS 11 2HD LYS 11 -15.702 -5.748 -3.500
90 HE2 LYS 11 1HE LYS 11 -13.509 -6.253 -4.415
91 HE3 LYS 11 2HE LYS 11 -12.735 -5.551 -2.997
92 HZ1 LYS 11 1HZ LYS 11 -14.506 -7.935 -2.982
93 HZ2 LYS 11 2HZ LYS 11 -13.735 -7.270 -1.633
94 HZ3 LYS 11 3HZ LYS 11 -12.818 -7.965 -2.870
95 H THR 12 H THR 12 -12.696 -4.458 -7.624
96 HA THR 12 HA THR 12 -10.612 -5.949 -6.432
97 HB THR 12 HB THR 12 -10.825 -5.495 -9.389
98 HG1 THR 12 HG1 THR 12 -12.696 -6.679 -7.652
99 HG21 THR 12 1HG2 THR 12 -10.290 -7.908 -7.676
100 HG22 THR 12 2HG2 THR 12 -9.053 -6.926 -8.469
101 HG23 THR 12 3HG2 THR 12 -10.215 -7.845 -9.439
102 H LEU 13 H LEU 13 -10.808 -2.963 -8.281
103 HA LEU 13 HA LEU 13 -8.023 -2.450 -8.493
104 HB2 LEU 13 1HB LEU 13 -9.902 -0.196 -7.921
105 HB3 LEU 13 2HB LEU 13 -8.571 -0.257 -9.057
106 HG LEU 13 HG LEU 13 -11.328 -1.373 -9.380
107 HD11 LEU 13 1HD1 LEU 13 -9.832 0.806 -10.827
108 HD12 LEU 13 2HD1 LEU 13 -11.153 1.024 -9.684
109 HD13 LEU 13 3HD1 LEU 13 -11.449 0.232 -11.231
110 HD21 LEU 13 1HD2 LEU 13 -9.724 -2.912 -10.407
111 HD22 LEU 13 2HD2 LEU 13 -8.956 -1.570 -11.254
112 HD23 LEU 13 3HD2 LEU 13 -10.609 -2.035 -11.655
113 H TYR 14 H TYR 14 -10.296 -2.411 -5.993
114 HA TYR 14 HA TYR 14 -9.113 -0.246 -4.525
115 HB2 TYR 14 1HB TYR 14 -11.627 -0.806 -4.966
116 HB3 TYR 14 2HB TYR 14 -11.416 -1.860 -3.572
117 HD1 TYR 14 HD1 TYR 14 -11.101 -0.976 -1.389
118 HD2 TYR 14 HD2 TYR 14 -11.373 1.559 -4.786
119 HE1 TYR 14 HE1 TYR 14 -11.313 0.950 0.102
120 HE2 TYR 14 HE2 TYR 14 -11.606 3.521 -3.303
121 HH TYR 14 HH TYR 14 -10.945 3.386 0.037
122 H LEU 15 H LEU 15 -10.003 -3.621 -3.929
123 HA LEU 15 HA LEU 15 -8.706 -3.816 -1.436
124 HB2 LEU 15 1HB LEU 15 -9.017 -6.160 -1.618
125 HB3 LEU 15 2HB LEU 15 -10.393 -5.430 -2.424
126 HG LEU 15 HG LEU 15 -8.600 -5.788 -4.487
127 HD11 LEU 15 1HD1 LEU 15 -7.866 -8.108 -4.337
128 HD12 LEU 15 2HD1 LEU 15 -8.476 -8.201 -2.685
129 HD13 LEU 15 3HD1 LEU 15 -7.133 -7.125 -3.070
130 HD21 LEU 15 1HD2 LEU 15 -10.819 -7.596 -3.557
131 HD22 LEU 15 2HD2 LEU 15 -10.122 -7.570 -5.177
132 HD23 LEU 15 3HD2 LEU 15 -10.988 -6.156 -4.566
133 H LYS 16 H LYS 16 -7.648 -3.796 -4.682
134 HA LYS 16 HA LYS 16 -5.029 -4.866 -4.202
135 HB2 LYS 16 1HB LYS 16 -6.147 -5.062 -6.415
136 HB3 LYS 16 2HB LYS 16 -6.135 -3.314 -6.555
137 HG2 LYS 16 1HG LYS 16 -3.595 -4.868 -6.226
138 HG3 LYS 16 2HG LYS 16 -4.341 -4.625 -7.806
139 HD2 LYS 16 1HD LYS 16 -3.972 -2.238 -6.072
140 HD3 LYS 16 2HD LYS 16 -2.523 -2.950 -6.804
141 HE2 LYS 16 1HE LYS 16 -3.376 -1.215 -8.247
142 HE3 LYS 16 2HE LYS 16 -3.587 -2.779 -9.023
143 HZ1 LYS 16 1HZ LYS 16 -5.896 -2.758 -8.459
144 HZ2 LYS 16 2HZ LYS 16 -5.521 -1.305 -9.242
145 HZ3 LYS 16 3HZ LYS 16 -5.728 -1.330 -7.564
146 H ILE 17 H ILE 17 -6.628 -1.789 -4.626
147 HA ILE 17 HA ILE 17 -4.468 -0.089 -4.947
148 HB ILE 17 HB ILE 17 -7.190 0.190 -4.944
149 HG12 ILE 17 1HG1 ILE 17 -6.621 2.694 -5.201
150 HG13 ILE 17 2HG1 ILE 17 -4.950 2.180 -4.967
151 HG21 ILE 17 1HG2 ILE 17 -7.782 1.953 -3.347
152 HG22 ILE 17 2HG2 ILE 17 -6.204 1.789 -2.578
153 HG23 ILE 17 3HG2 ILE 17 -7.352 0.451 -2.526
154 HD11 ILE 17 1HD1 ILE 17 -5.102 0.715 -6.879
155 HD12 ILE 17 2HD1 ILE 17 -5.568 2.354 -7.340
156 HD13 ILE 17 3HD1 ILE 17 -6.806 1.118 -7.083
157 H SER 18 H SER 18 -5.920 -1.357 -2.088
158 HA SER 18 HA SER 18 -4.374 0.409 -0.385
159 HB2 SER 18 1HB SER 18 -6.754 -0.192 0.163
160 HB3 SER 18 2HB SER 18 -6.226 -1.852 0.426
161 HG SER 18 HG SER 18 -5.504 -1.299 2.317
162 H PHE 19 H PHE 19 -4.513 -2.840 -1.515
163 HA PHE 19 HA PHE 19 -2.811 -4.181 0.217
164 HB2 PHE 19 1HB PHE 19 -3.760 -5.710 -1.148
165 HB3 PHE 19 2HB PHE 19 -3.926 -4.548 -2.459
166 HD1 PHE 19 HD1 PHE 19 -2.581 -4.634 -4.293
167 HD2 PHE 19 HD2 PHE 19 -1.427 -6.747 -0.792
168 HE1 PHE 19 HE1 PHE 19 -0.722 -5.620 -5.523
169 HE2 PHE 19 HE2 PHE 19 0.442 -7.762 -2.016
170 HZ PHE 19 HZ PHE 19 0.803 -7.206 -4.396
171 H LEU 20 H LEU 20 -1.936 -2.732 -2.968
172 HA LEU 20 HA LEU 20 0.843 -3.260 -2.439
173 HB2 LEU 20 1HB LEU 20 1.346 -2.369 -4.523
174 HB3 LEU 20 2HB LEU 20 -0.249 -3.044 -4.756
175 HG LEU 20 HG LEU 20 0.285 -0.124 -4.255
176 HD11 LEU 20 1HD1 LEU 20 -0.249 -1.569 -6.844
177 HD12 LEU 20 2HD1 LEU 20 1.273 -0.817 -6.369
178 HD13 LEU 20 3HD1 LEU 20 -0.156 0.180 -6.643
179 HD21 LEU 20 1HD2 LEU 20 -1.901 -0.489 -3.620
180 HD22 LEU 20 2HD2 LEU 20 -2.146 -1.741 -4.852
181 HD23 LEU 20 3HD2 LEU 20 -2.056 -0.038 -5.325
182 H GLY 21 H GLY 21 -1.402 -0.803 -1.828
183 HA2 GLY 21 1HA GLY 21 0.339 1.351 -1.263
184 HA3 GLY 21 2HA GLY 21 -1.317 1.144 -0.697
185 H CYS 22 H CYS 22 -0.183 -1.575 0.267
186 HA CYS 22 HA CYS 22 0.477 -0.772 2.970
187 HB2 CYS 22 1HB CYS 22 0.206 -3.493 1.677
188 HB3 CYS 22 2HB CYS 22 0.523 -3.214 3.381
189 HG CYS 22 HG CYS 22 -2.285 -1.959 1.910
190 H LYS 23 H LYS 23 1.800 -2.668 0.340
191 HA LYS 23 HA LYS 23 4.377 -3.105 1.209
192 HB2 LYS 23 1HB LYS 23 3.327 -2.411 -1.499
193 HB3 LYS 23 2HB LYS 23 4.965 -2.980 -1.218
194 HG2 LYS 23 1HG LYS 23 4.080 -5.103 -0.366
195 HG3 LYS 23 2HG LYS 23 2.437 -4.529 -0.665
196 HD2 LYS 23 1HD LYS 23 2.823 -4.437 -3.019
197 HD3 LYS 23 2HD LYS 23 4.546 -4.757 -2.805
198 HE2 LYS 23 1HE LYS 23 3.971 -6.978 -1.877
199 HE3 LYS 23 2HE LYS 23 2.272 -6.647 -2.215
200 HZ1 LYS 23 1HZ LYS 23 4.454 -6.821 -4.224
201 HZ2 LYS 23 2HZ LYS 23 2.846 -6.435 -4.571
202 HZ3 LYS 23 3HZ LYS 23 3.236 -7.966 -3.971
203 H VAL 24 H VAL 24 2.874 -0.406 -0.278
204 HA VAL 24 HA VAL 24 5.288 1.128 -0.446
205 HB VAL 24 HB VAL 24 2.442 1.950 -0.888
206 HG11 VAL 24 1HG1 VAL 24 3.352 3.866 -2.085
207 HG12 VAL 24 2HG1 VAL 24 4.984 3.345 -1.671
208 HG13 VAL 24 3HG1 VAL 24 3.875 3.857 -0.401
209 HG21 VAL 24 1HG2 VAL 24 3.261 0.154 -2.370
210 HG22 VAL 24 2HG2 VAL 24 4.565 1.225 -2.889
211 HG23 VAL 24 3HG2 VAL 24 2.888 1.646 -3.241
212 H VAL 25 H VAL 25 2.708 0.630 1.739
213 HA VAL 25 HA VAL 25 3.091 2.926 3.357
214 HB VAL 25 HB VAL 25 1.768 0.333 3.729
215 HG11 VAL 25 1HG1 VAL 25 1.734 0.417 6.182
216 HG12 VAL 25 2HG1 VAL 25 2.915 1.727 6.151
217 HG13 VAL 25 3HG1 VAL 25 3.364 0.121 5.576
218 HG21 VAL 25 1HG2 VAL 25 0.575 2.369 3.324
219 HG22 VAL 25 2HG2 VAL 25 1.328 3.119 4.736
220 HG23 VAL 25 3HG2 VAL 25 0.191 1.783 4.944
221 H ALA 26 H ALA 26 4.704 -0.134 3.045
222 HA ALA 26 HA ALA 26 6.371 0.103 5.282
223 HB1 ALA 26 1HB ALA 26 6.024 -2.013 4.106
224 HB2 ALA 26 2HB ALA 26 7.739 -1.624 4.244
225 HB3 ALA 26 3HB ALA 26 6.900 -1.378 2.712
226 H LEU 27 H LEU 27 6.591 1.473 2.035
227 HA LEU 27 HA LEU 27 9.254 2.451 2.698
228 HB2 LEU 27 1HB LEU 27 9.427 3.261 0.450
229 HB3 LEU 27 2HB LEU 27 8.893 1.595 0.459
230 HG LEU 27 HG LEU 27 6.506 2.676 0.201
231 HD11 LEU 27 1HD1 LEU 27 6.563 4.704 -1.170
232 HD12 LEU 27 2HD1 LEU 27 8.309 4.807 -0.941
233 HD13 LEU 27 3HD1 LEU 27 7.226 4.990 0.440
234 HD21 LEU 27 1HD2 LEU 27 7.539 1.167 -1.394
235 HD22 LEU 27 2HD2 LEU 27 8.521 2.483 -2.033
236 HD23 LEU 27 3HD2 LEU 27 6.770 2.513 -2.236
237 H LEU 28 H LEU 28 6.007 3.549 2.627
238 HA LEU 28 HA LEU 28 6.688 6.351 2.585
239 HB2 LEU 28 1HB LEU 28 4.765 6.007 1.420
240 HB3 LEU 28 2HB LEU 28 4.239 4.700 2.457
241 HG LEU 28 HG LEU 28 4.084 6.968 4.066
242 HD11 LEU 28 1HD1 LEU 28 2.709 8.508 2.774
243 HD12 LEU 28 2HD1 LEU 28 2.982 7.546 1.320
244 HD13 LEU 28 3HD1 LEU 28 4.330 8.382 2.090
245 HD21 LEU 28 1HD2 LEU 28 2.621 5.006 4.029
246 HD22 LEU 28 2HD2 LEU 28 1.944 5.547 2.489
247 HD23 LEU 28 3HD2 LEU 28 1.699 6.512 3.945
248 H LYS 29 H LYS 29 4.603 4.535 4.871
249 HA LYS 29 HA LYS 29 5.309 6.417 6.964
250 HB2 LYS 29 1HB LYS 29 3.410 4.071 6.933
251 HB3 LYS 29 2HB LYS 29 3.698 5.069 8.350
252 HG2 LYS 29 1HG LYS 29 2.615 6.068 5.727
253 HG3 LYS 29 2HG LYS 29 1.644 5.670 7.142
254 HD2 LYS 29 1HD LYS 29 2.796 7.403 8.423
255 HD3 LYS 29 2HD LYS 29 3.795 7.787 7.021
256 HE2 LYS 29 1HE LYS 29 1.792 8.420 5.766
257 HE3 LYS 29 2HE LYS 29 0.791 8.031 7.164
258 HZ1 LYS 29 1HZ LYS 29 2.906 10.113 7.130
259 HZ2 LYS 29 2HZ LYS 29 1.835 9.792 8.396
260 HZ3 LYS 29 3HZ LYS 29 1.256 10.416 6.936
261 H ARG 30 H ARG 30 5.949 3.237 5.944
262 HA ARG 30 HA ARG 30 7.456 1.676 6.519
263 HB2 ARG 30 1HB ARG 30 8.546 3.789 8.389
264 HB3 ARG 30 2HB ARG 30 9.301 2.227 8.119
265 HG2 ARG 30 1HG ARG 30 9.554 2.813 5.727
266 HG3 ARG 30 2HG ARG 30 8.905 4.416 6.088
267 HD2 ARG 30 1HD ARG 30 10.739 4.818 7.644
268 HD3 ARG 30 2HD ARG 30 11.374 3.205 7.329
269 HE ARG 30 HE ARG 30 11.112 4.857 4.979
270 HH11 ARG 30 1HH1 ARG 30 13.193 3.898 7.629
271 HH12 ARG 30 2HH1 ARG 30 14.652 4.381 6.827
272 HH21 ARG 30 1HH2 ARG 30 13.041 5.493 3.922
273 HH22 ARG 30 2HH2 ARG 30 14.566 5.290 4.727
Start of MODEL 10
1 H1 MET 1 1H MET 1 -23.472 5.596 -14.545
2 H2 MET 1 2H MET 1 -22.942 4.568 -15.776
3 H3 MET 1 3H MET 1 -21.848 5.596 -15.008
4 HA MET 1 HA MET 1 -21.678 3.267 -14.297
5 HB2 MET 1 1HB MET 1 -21.794 3.821 -11.812
6 HB3 MET 1 2HB MET 1 -20.764 4.837 -12.806
7 HG2 MET 1 1HG MET 1 -21.932 6.218 -11.258
8 HG3 MET 1 2HG MET 1 -22.565 6.530 -12.869
9 HE1 MET 1 1HE MET 1 -23.956 7.394 -10.081
10 HE2 MET 1 2HE MET 1 -25.645 7.057 -10.460
11 HE3 MET 1 3HE MET 1 -24.604 7.811 -11.667
12 H ALA 2 H ALA 2 -24.415 3.462 -15.351
13 HA ALA 2 HA ALA 2 -25.783 1.913 -13.253
14 HB1 ALA 2 1HB ALA 2 -27.905 2.746 -14.067
15 HB2 ALA 2 2HB ALA 2 -27.088 3.660 -15.332
16 HB3 ALA 2 3HB ALA 2 -26.852 4.094 -13.640
17 H THR 3 H THR 3 -24.065 1.330 -15.783
18 HA THR 3 HA THR 3 -25.939 -0.228 -17.361
19 HB THR 3 HB THR 3 -23.796 -0.809 -18.655
20 HG1 THR 3 HG1 THR 3 -22.047 0.583 -18.253
21 HG21 THR 3 1HG2 THR 3 -24.689 2.070 -18.466
22 HG22 THR 3 2HG2 THR 3 -25.424 0.817 -19.465
23 HG23 THR 3 3HG2 THR 3 -23.782 1.365 -19.804
24 H LYS 4 H LYS 4 -24.853 -0.791 -14.504
25 HA LYS 4 HA LYS 4 -24.383 -2.585 -13.200
26 HB2 LYS 4 1HB LYS 4 -25.244 -4.218 -15.599
27 HB3 LYS 4 2HB LYS 4 -25.135 -4.785 -13.939
28 HG2 LYS 4 1HG LYS 4 -27.028 -2.679 -14.970
29 HG3 LYS 4 2HG LYS 4 -27.441 -4.346 -14.565
30 HD2 LYS 4 1HD LYS 4 -26.832 -3.946 -12.240
31 HD3 LYS 4 2HD LYS 4 -26.363 -2.292 -12.636
32 HE2 LYS 4 1HE LYS 4 -29.135 -3.446 -12.933
33 HE3 LYS 4 2HE LYS 4 -28.597 -2.412 -11.611
34 HZ1 LYS 4 1HZ LYS 4 -29.781 -1.134 -13.261
35 HZ2 LYS 4 2HZ LYS 4 -28.733 -1.652 -14.480
36 HZ3 LYS 4 3HZ LYS 4 -28.160 -0.656 -13.239
37 H HIS 5 H HIS 5 -22.323 -1.386 -14.646
38 HA HIS 5 HA HIS 5 -20.467 -3.630 -15.024
39 HB2 HIS 5 1HB HIS 5 -21.145 -2.767 -17.237
40 HB3 HIS 5 2HB HIS 5 -20.653 -1.150 -16.754
41 HD1 HIS 5 HD1 HIS 5 -18.228 -0.541 -17.058
42 HD2 HIS 5 HD2 HIS 5 -18.955 -4.597 -17.608
43 HE1 HIS 5 HE1 HIS 5 -16.094 -1.492 -17.973
44 HE2 HIS 5 HE2 HIS 5 -16.605 -3.912 -18.440
45 H GLY 6 H GLY 6 -18.583 -3.394 -13.950
46 HA2 GLY 6 1HA GLY 6 -16.843 -2.342 -12.838
47 HA3 GLY 6 2HA GLY 6 -17.545 -0.800 -13.284
48 H LYS 7 H LYS 7 -19.144 -3.387 -11.587
49 HA LYS 7 HA LYS 7 -19.620 -1.565 -9.364
50 HB2 LYS 7 1HB LYS 7 -20.919 -4.195 -10.060
51 HB3 LYS 7 2HB LYS 7 -21.301 -3.261 -8.621
52 HG2 LYS 7 1HG LYS 7 -22.011 -1.399 -10.055
53 HG3 LYS 7 2HG LYS 7 -21.706 -2.399 -11.474
54 HD2 LYS 7 1HD LYS 7 -24.061 -2.465 -10.955
55 HD3 LYS 7 2HD LYS 7 -23.350 -4.042 -10.616
56 HE2 LYS 7 1HE LYS 7 -24.870 -3.435 -8.839
57 HE3 LYS 7 2HE LYS 7 -23.221 -3.444 -8.228
58 HZ1 LYS 7 1HZ LYS 7 -24.770 -1.037 -9.010
59 HZ2 LYS 7 2HZ LYS 7 -23.180 -1.028 -8.443
60 HZ3 LYS 7 3HZ LYS 7 -24.434 -1.528 -7.429
61 H ASN 8 H ASN 8 -17.431 -3.740 -10.165
62 HA ASN 8 HA ASN 8 -16.716 -4.206 -7.400
63 HB2 ASN 8 1HB ASN 8 -16.534 -6.593 -7.534
64 HB3 ASN 8 2HB ASN 8 -18.161 -6.134 -8.018
65 HD21 ASN 8 1HD2 ASN 8 -15.166 -7.535 -9.011
66 HD22 ASN 8 2HD2 ASN 8 -15.706 -8.093 -10.555
67 H SER 9 H SER 9 -15.826 -4.572 -10.809
68 HA SER 9 HA SER 9 -13.158 -5.008 -10.691
69 HB2 SER 9 1HB SER 9 -14.454 -2.911 -12.441
70 HB3 SER 9 2HB SER 9 -12.965 -3.796 -12.775
71 HG SER 9 HG SER 9 -14.090 -5.569 -13.244
72 H TRP 10 H TRP 10 -14.756 -1.870 -10.109
73 HA TRP 10 HA TRP 10 -12.466 -0.291 -9.831
74 HB2 TRP 10 1HB TRP 10 -13.876 1.355 -8.866
75 HB3 TRP 10 2HB TRP 10 -14.924 0.477 -9.973
76 HD1 TRP 10 HD1 TRP 10 -16.947 -0.870 -8.920
77 HE1 TRP 10 HE1 TRP 10 -17.978 -0.969 -6.571
78 HE3 TRP 10 HE3 TRP 10 -13.205 1.435 -6.324
79 HZ2 TRP 10 HZ2 TRP 10 -17.282 -0.185 -3.951
80 HZ3 TRP 10 HZ3 TRP 10 -13.465 1.713 -3.891
81 HH2 TRP 10 HH2 TRP 10 -15.456 0.909 -2.732
82 H LYS 11 H LYS 11 -14.103 -2.511 -7.798
83 HA LYS 11 HA LYS 11 -12.899 -1.626 -5.338
84 HB2 LYS 11 1HB LYS 11 -15.259 -2.712 -5.820
85 HB3 LYS 11 2HB LYS 11 -14.359 -4.212 -5.658
86 HG2 LYS 11 1HG LYS 11 -13.531 -2.764 -3.503
87 HG3 LYS 11 2HG LYS 11 -15.220 -2.319 -3.663
88 HD2 LYS 11 1HD LYS 11 -14.967 -4.244 -2.188
89 HD3 LYS 11 2HD LYS 11 -15.860 -4.674 -3.647
90 HE2 LYS 11 1HE LYS 11 -13.802 -5.625 -4.612
91 HE3 LYS 11 2HE LYS 11 -12.932 -5.196 -3.141
92 HZ1 LYS 11 1HZ LYS 11 -13.594 -7.516 -3.131
93 HZ2 LYS 11 2HZ LYS 11 -15.220 -7.082 -3.303
94 HZ3 LYS 11 3HZ LYS 11 -14.378 -6.671 -1.893
95 H THR 12 H THR 12 -12.528 -3.985 -7.787
96 HA THR 12 HA THR 12 -10.586 -5.606 -6.515
97 HB THR 12 HB THR 12 -10.691 -5.276 -9.489
98 HG1 THR 12 HG1 THR 12 -12.763 -6.103 -7.798
99 HG21 THR 12 1HG2 THR 12 -9.123 -6.834 -8.411
100 HG22 THR 12 2HG2 THR 12 -10.326 -7.667 -9.408
101 HG23 THR 12 3HG2 THR 12 -10.496 -7.644 -7.651
102 H LEU 13 H LEU 13 -10.531 -2.643 -8.384
103 HA LEU 13 HA LEU 13 -7.701 -2.381 -8.581
104 HB2 LEU 13 1HB LEU 13 -9.461 -0.004 -8.099
105 HB3 LEU 13 2HB LEU 13 -8.077 -0.140 -9.163
106 HG LEU 13 HG LEU 13 -10.861 -1.125 -9.616
107 HD11 LEU 13 1HD1 LEU 13 -9.202 0.978 -10.995
108 HD12 LEU 13 2HD1 LEU 13 -10.577 1.256 -9.927
109 HD13 LEU 13 3HD1 LEU 13 -10.816 0.466 -11.486
110 HD21 LEU 13 1HD2 LEU 13 -8.422 -1.445 -11.380
111 HD22 LEU 13 2HD2 LEU 13 -10.077 -1.848 -11.841
112 HD23 LEU 13 3HD2 LEU 13 -9.279 -2.744 -10.548
113 H TYR 14 H TYR 14 -10.021 -2.108 -6.141
114 HA TYR 14 HA TYR 14 -8.697 -0.049 -4.652
115 HB2 TYR 14 1HB TYR 14 -11.241 -0.432 -5.163
116 HB3 TYR 14 2HB TYR 14 -11.142 -1.440 -3.721
117 HD1 TYR 14 HD1 TYR 14 -10.918 1.905 -5.074
118 HD2 TYR 14 HD2 TYR 14 -10.682 -0.494 -1.578
119 HE1 TYR 14 HE1 TYR 14 -11.029 3.940 -3.666
120 HE2 TYR 14 HE2 TYR 14 -10.779 1.489 -0.161
121 HH TYR 14 HH TYR 14 -11.608 4.598 -1.423
122 H LEU 15 H LEU 15 -9.861 -3.340 -4.058
123 HA LEU 15 HA LEU 15 -8.636 -3.574 -1.527
124 HB2 LEU 15 1HB LEU 15 -9.177 -5.885 -1.649
125 HB3 LEU 15 2HB LEU 15 -10.465 -5.034 -2.482
126 HG LEU 15 HG LEU 15 -8.688 -5.656 -4.514
127 HD11 LEU 15 1HD1 LEU 15 -8.261 -8.038 -4.289
128 HD12 LEU 15 2HD1 LEU 15 -8.939 -8.019 -2.662
129 HD13 LEU 15 3HD1 LEU 15 -7.453 -7.134 -3.009
130 HD21 LEU 15 1HD2 LEU 15 -11.149 -7.130 -3.594
131 HD22 LEU 15 2HD2 LEU 15 -10.423 -7.240 -5.197
132 HD23 LEU 15 3HD2 LEU 15 -11.109 -5.710 -4.642
133 H LYS 16 H LYS 16 -7.523 -3.691 -4.747
134 HA LYS 16 HA LYS 16 -4.987 -4.918 -4.223
135 HB2 LYS 16 1HB LYS 16 -5.996 -5.059 -6.461
136 HB3 LYS 16 2HB LYS 16 -6.010 -3.309 -6.576
137 HG2 LYS 16 1HG LYS 16 -3.446 -4.820 -6.228
138 HG3 LYS 16 2HG LYS 16 -4.176 -4.591 -7.814
139 HD2 LYS 16 1HD LYS 16 -3.658 -2.280 -5.958
140 HD3 LYS 16 2HD LYS 16 -2.407 -2.888 -7.057
141 HE2 LYS 16 1HE LYS 16 -5.145 -1.922 -7.889
142 HE3 LYS 16 2HE LYS 16 -3.663 -0.974 -7.991
143 HZ1 LYS 16 1HZ LYS 16 -4.253 -2.005 -10.108
144 HZ2 LYS 16 2HZ LYS 16 -4.143 -3.538 -9.409
145 HZ3 LYS 16 3HZ LYS 16 -2.765 -2.572 -9.539
146 H ILE 17 H ILE 17 -6.377 -1.744 -4.646
147 HA ILE 17 HA ILE 17 -4.112 -0.159 -4.784
148 HB ILE 17 HB ILE 17 -6.816 0.266 -4.881
149 HG12 ILE 17 1HG1 ILE 17 -6.104 2.717 -5.090
150 HG13 ILE 17 2HG1 ILE 17 -4.478 2.138 -4.725
151 HG21 ILE 17 1HG2 ILE 17 -5.812 1.762 -2.449
152 HG22 ILE 17 2HG2 ILE 17 -7.027 0.483 -2.449
153 HG23 ILE 17 3HG2 ILE 17 -7.361 2.016 -3.254
154 HD11 ILE 17 1HD1 ILE 17 -4.532 0.693 -6.667
155 HD12 ILE 17 2HD1 ILE 17 -4.880 2.357 -7.140
156 HD13 ILE 17 3HD1 ILE 17 -6.191 1.180 -7.009
157 H SER 18 H SER 18 -5.740 -1.531 -2.086
158 HA SER 18 HA SER 18 -4.294 0.098 -0.192
159 HB2 SER 18 1HB SER 18 -6.638 -0.507 0.268
160 HB3 SER 18 2HB SER 18 -6.222 -2.214 0.233
161 HG SER 18 HG SER 18 -5.423 -0.253 2.116
162 H PHE 19 H PHE 19 -4.337 -3.064 -1.537
163 HA PHE 19 HA PHE 19 -2.607 -4.464 0.136
164 HB2 PHE 19 1HB PHE 19 -3.557 -5.935 -1.300
165 HB3 PHE 19 2HB PHE 19 -3.724 -4.717 -2.563
166 HD1 PHE 19 HD1 PHE 19 -1.177 -6.901 -0.937
167 HD2 PHE 19 HD2 PHE 19 -2.409 -4.791 -4.417
168 HE1 PHE 19 HE1 PHE 19 0.705 -7.860 -2.183
169 HE2 PHE 19 HE2 PHE 19 -0.537 -5.727 -5.672
170 HZ PHE 19 HZ PHE 19 1.033 -7.283 -4.563
171 H LEU 20 H LEU 20 -1.740 -2.965 -3.029
172 HA LEU 20 HA LEU 20 1.038 -3.397 -2.463
173 HB2 LEU 20 1HB LEU 20 1.545 -2.437 -4.515
174 HB3 LEU 20 2HB LEU 20 -0.035 -3.135 -4.787
175 HG LEU 20 HG LEU 20 0.446 -0.218 -4.201
176 HD11 LEU 20 1HD1 LEU 20 1.452 -0.857 -6.330
177 HD12 LEU 20 2HD1 LEU 20 0.020 0.141 -6.577
178 HD13 LEU 20 3HD1 LEU 20 -0.067 -1.601 -6.827
179 HD21 LEU 20 1HD2 LEU 20 -1.890 -0.155 -5.292
180 HD22 LEU 20 2HD2 LEU 20 -1.738 -0.626 -3.596
181 HD23 LEU 20 3HD2 LEU 20 -1.953 -1.867 -4.846
182 H GLY 21 H GLY 21 -1.275 -0.993 -1.809
183 HA2 GLY 21 1HA GLY 21 0.424 1.173 -1.178
184 HA3 GLY 21 2HA GLY 21 -1.226 0.929 -0.625
185 H CYS 22 H CYS 22 -0.020 -1.800 0.289
186 HA CYS 22 HA CYS 22 0.547 -1.025 3.024
187 HB2 CYS 22 1HB CYS 22 0.408 -3.718 1.641
188 HB3 CYS 22 2HB CYS 22 0.765 -3.499 3.343
189 HG CYS 22 HG CYS 22 -2.143 -2.301 2.034
190 H LYS 23 H LYS 23 1.985 -2.813 0.406
191 HA LYS 23 HA LYS 23 4.568 -3.135 1.338
192 HB2 LYS 23 1HB LYS 23 3.535 -2.597 -1.408
193 HB3 LYS 23 2HB LYS 23 5.170 -3.148 -1.069
194 HG2 LYS 23 1HG LYS 23 4.257 -5.201 -0.071
195 HG3 LYS 23 2HG LYS 23 2.628 -4.648 -0.465
196 HD2 LYS 23 1HD LYS 23 3.136 -4.703 -2.823
197 HD3 LYS 23 2HD LYS 23 4.818 -5.119 -2.483
198 HE2 LYS 23 1HE LYS 23 2.389 -6.796 -1.880
199 HE3 LYS 23 2HE LYS 23 3.577 -7.093 -3.145
200 HZ1 LYS 23 1HZ LYS 23 4.006 -7.226 -0.212
201 HZ2 LYS 23 2HZ LYS 23 5.259 -7.304 -1.346
202 HZ3 LYS 23 3HZ LYS 23 4.070 -8.506 -1.319
203 H VAL 24 H VAL 24 3.008 -0.550 -0.290
204 HA VAL 24 HA VAL 24 5.377 1.054 -0.451
205 HB VAL 24 HB VAL 24 2.519 1.796 -0.967
206 HG11 VAL 24 1HG1 VAL 24 5.045 3.211 -1.764
207 HG12 VAL 24 2HG1 VAL 24 3.907 3.748 -0.531
208 HG13 VAL 24 3HG1 VAL 24 3.411 3.684 -2.222
209 HG21 VAL 24 1HG2 VAL 24 3.379 -0.032 -2.378
210 HG22 VAL 24 2HG2 VAL 24 4.687 1.030 -2.906
211 HG23 VAL 24 3HG2 VAL 24 3.015 1.428 -3.306
212 H VAL 25 H VAL 25 2.807 0.521 1.732
213 HA VAL 25 HA VAL 25 3.078 2.867 3.302
214 HB VAL 25 HB VAL 25 1.888 0.221 3.721
215 HG11 VAL 25 1HG1 VAL 25 1.885 0.308 6.168
216 HG12 VAL 25 2HG1 VAL 25 2.985 1.686 6.127
217 HG13 VAL 25 3HG1 VAL 25 3.524 0.109 5.549
218 HG21 VAL 25 1HG2 VAL 25 0.612 2.218 3.314
219 HG22 VAL 25 2HG2 VAL 25 1.319 2.981 4.744
220 HG23 VAL 25 3HG2 VAL 25 0.246 1.588 4.922
221 H ALA 26 H ALA 26 4.860 -0.099 3.039
222 HA ALA 26 HA ALA 26 6.520 0.258 5.271
223 HB1 ALA 26 1HB ALA 26 6.299 -1.886 4.104
224 HB2 ALA 26 2HB ALA 26 7.986 -1.391 4.253
225 HB3 ALA 26 3HB ALA 26 7.145 -1.206 2.714
226 H LEU 27 H LEU 27 6.666 1.574 1.988
227 HA LEU 27 HA LEU 27 9.247 2.745 2.667
228 HB2 LEU 27 1HB LEU 27 9.406 3.496 0.392
229 HB3 LEU 27 2HB LEU 27 9.006 1.795 0.452
230 HG LEU 27 HG LEU 27 6.547 2.680 0.118
231 HD11 LEU 27 1HD1 LEU 27 6.476 4.656 -1.321
232 HD12 LEU 27 2HD1 LEU 27 8.205 4.896 -1.078
233 HD13 LEU 27 3HD1 LEU 27 7.096 5.046 0.283
234 HD21 LEU 27 1HD2 LEU 27 6.869 2.445 -2.307
235 HD22 LEU 27 2HD2 LEU 27 7.717 1.193 -1.400
236 HD23 LEU 27 3HD2 LEU 27 8.613 2.553 -2.073
237 H LEU 28 H LEU 28 5.945 3.623 2.552
238 HA LEU 28 HA LEU 28 6.423 6.465 2.415
239 HB2 LEU 28 1HB LEU 28 4.486 5.915 1.329
240 HB3 LEU 28 2HB LEU 28 4.079 4.646 2.463
241 HG LEU 28 HG LEU 28 3.877 6.995 3.941
242 HD11 LEU 28 1HD1 LEU 28 3.948 8.291 1.871
243 HD12 LEU 28 2HD1 LEU 28 2.362 8.381 2.634
244 HD13 LEU 28 3HD1 LEU 28 2.606 7.342 1.230
245 HD21 LEU 28 1HD2 LEU 28 1.516 6.419 3.972
246 HD22 LEU 28 2HD2 LEU 28 2.524 4.973 4.117
247 HD23 LEU 28 3HD2 LEU 28 1.747 5.361 2.579
248 H LYS 29 H LYS 29 4.577 4.541 4.806
249 HA LYS 29 HA LYS 29 5.152 6.515 6.842
250 HB2 LYS 29 1HB LYS 29 3.501 3.996 6.819
251 HB3 LYS 29 2HB LYS 29 3.817 4.883 8.304
252 HG2 LYS 29 1HG LYS 29 2.717 6.846 7.391
253 HG3 LYS 29 2HG LYS 29 2.447 6.000 5.866
254 HD2 LYS 29 1HD LYS 29 0.987 4.422 6.925
255 HD3 LYS 29 2HD LYS 29 1.389 5.049 8.524
256 HE2 LYS 29 1HE LYS 29 -0.796 5.845 7.795
257 HE3 LYS 29 2HE LYS 29 0.341 7.180 7.958
258 HZ1 LYS 29 1HZ LYS 29 -0.385 5.869 5.396
259 HZ2 LYS 29 2HZ LYS 29 0.630 7.205 5.579
260 HZ3 LYS 29 3HZ LYS 29 -1.012 7.338 5.946
261 H ARG 30 H ARG 30 5.936 3.303 5.956
262 HA ARG 30 HA ARG 30 7.668 1.943 6.394
263 HB2 ARG 30 1HB ARG 30 8.869 4.258 7.926
264 HB3 ARG 30 2HB ARG 30 9.719 2.804 7.424
265 HG2 ARG 30 1HG ARG 30 9.392 3.404 5.086
266 HG3 ARG 30 2HG ARG 30 8.500 4.847 5.575
267 HD2 ARG 30 1HD ARG 30 11.399 4.233 6.122
268 HD3 ARG 30 2HD ARG 30 10.763 5.457 5.024
269 HE ARG 30 HE ARG 30 9.898 5.747 7.751
270 HH11 ARG 30 1HH1 ARG 30 12.321 6.610 5.384
271 HH12 ARG 30 2HH1 ARG 30 12.909 7.964 6.293
272 HH21 ARG 30 1HH2 ARG 30 10.656 7.542 8.946
273 HH22 ARG 30 2HH2 ARG 30 11.948 8.509 8.308