Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
500869 | 2rrh RC | 11419 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H HIS 1 -23.312 3.767 1.315
2 HA HIS 1 HA HIS 1 -24.143 3.758 -1.484
3 HB2 HIS 1 HB2 HIS 1 -25.339 5.316 -0.111
4 HB3 HIS 1 HB3 HIS 1 -23.844 5.974 0.546
5 HD1 HIS 1 HD1 HIS 1 -24.106 8.351 -0.250
6 HD2 HIS 1 HD2 HIS 1 -24.486 5.572 -3.315
7 HE1 HIS 1 HE1 HIS 1 -24.138 9.694 -2.376
8 HE2 HIS 1 HE2 HIS 1 -24.454 7.998 -4.211
9 H SER 2 H SER 2 -21.615 5.324 0.488
10 HA SER 2 HA SER 2 -19.991 5.647 -1.926
11 HB2 SER 2 HB2 SER 2 -18.670 7.220 -0.659
12 HB3 SER 2 HB3 SER 2 -20.373 7.603 -0.403
13 HG SER 2 HG SER 2 -20.269 6.721 1.613
14 H ASP 3 H ASP 3 -18.440 4.244 -2.376
15 HA ASP 3 HA ASP 3 -17.642 2.267 -0.422
16 HB2 ASP 3 HB2 ASP 3 -16.106 1.626 -2.488
17 HB3 ASP 3 HB3 ASP 3 -17.821 1.227 -2.461
18 H ALA 4 H ALA 4 -16.878 4.806 0.383
19 HA ALA 4 HA ALA 4 -14.216 5.464 -0.341
20 HB1 ALA 4 HB1 ALA 4 -16.213 6.661 1.143
21 HB2 ALA 4 HB2 ALA 4 -14.964 6.303 2.336
22 HB3 ALA 4 HB3 ALA 4 -14.574 7.270 0.914
23 H VAL 5 H VAL 5 -15.612 3.589 2.320
24 HA VAL 5 HA VAL 5 -13.259 3.153 3.774
25 HB VAL 5 HB VAL 5 -15.366 2.629 4.784
26 HG11 VAL 5 HG11 VAL 5 -16.753 2.042 2.979
27 HG12 VAL 5 HG12 VAL 5 -15.690 0.724 2.482
28 HG13 VAL 5 HG13 VAL 5 -16.638 0.583 3.962
29 HG21 VAL 5 HG21 VAL 5 -13.606 0.236 4.324
30 HG22 VAL 5 HG22 VAL 5 -13.633 1.326 5.710
31 HG23 VAL 5 HG23 VAL 5 -14.969 0.206 5.443
32 H PHE 6 H PHE 6 -14.655 1.416 1.040
33 HA PHE 6 HA PHE 6 -12.969 -0.819 1.067
34 HB2 PHE 6 HB2 PHE 6 -14.587 0.554 -1.047
35 HB3 PHE 6 HB3 PHE 6 -13.475 -0.731 -1.510
36 HD1 PHE 6 HD1 PHE 6 -16.372 0.043 0.663
37 HD2 PHE 6 HD2 PHE 6 -14.060 -2.978 -1.245
38 HE1 PHE 6 HE1 PHE 6 -18.067 -1.634 1.273
39 HE2 PHE 6 HE2 PHE 6 -15.751 -4.659 -0.639
40 HZ PHE 6 HZ PHE 6 -17.758 -3.988 0.620
41 H THR 7 H THR 7 -12.690 2.178 -0.843
42 HA THR 7 HA THR 7 -10.149 1.540 -1.921
43 HB THR 7 HB THR 7 -11.639 3.179 -2.985
44 HG1 THR 7 HG1 THR 7 -9.071 4.066 -2.151
45 HG21 THR 7 HG21 THR 7 -11.004 4.867 -0.563
46 HG22 THR 7 HG22 THR 7 -12.587 4.258 -1.045
47 HG23 THR 7 HG23 THR 7 -11.772 5.471 -2.031
48 H ASP 8 H ASP 8 -11.184 3.367 0.912
49 HA ASP 8 HA ASP 8 -8.745 4.519 1.618
50 HB2 ASP 8 HB2 ASP 8 -10.444 5.360 2.907
51 HB3 ASP 8 HB3 ASP 8 -11.236 3.796 3.074
52 H ASN 9 H ASN 9 -10.088 1.344 2.438
53 HA ASN 9 HA ASN 9 -7.970 0.550 4.136
54 HB2 ASN 9 HB2 ASN 9 -10.211 -0.838 2.736
55 HB3 ASN 9 HB3 ASN 9 -8.896 -1.820 3.375
56 HD21 ASN 9 HD21 ASN 9 -8.661 -2.055 5.558
57 HD22 ASN 9 HD22 ASN 9 -9.828 -1.495 6.702
58 H TYR 10 H TYR 10 -8.603 0.024 0.689
59 HA TYR 10 HA TYR 10 -6.375 -1.629 0.194
60 HB2 TYR 10 HB2 TYR 10 -7.758 0.228 -1.751
61 HB3 TYR 10 HB3 TYR 10 -6.769 -1.169 -2.158
62 HD1 TYR 10 HD1 TYR 10 -7.800 -3.148 -0.193
63 HD2 TYR 10 HD2 TYR 10 -9.857 -0.325 -2.623
64 HE1 TYR 10 HE1 TYR 10 -9.799 -4.579 -0.152
65 HE2 TYR 10 HE2 TYR 10 -11.863 -1.748 -2.587
66 HH TYR 10 HH TYR 10 -12.440 -4.106 -2.232
67 H THR 11 H THR 11 -6.817 1.873 0.041
68 HA THR 11 HA THR 11 -4.354 2.543 -1.111
69 HB THR 11 HB THR 11 -5.859 4.202 0.918
70 HG1 THR 11 HG1 THR 11 -6.215 3.970 -1.902
71 HG21 THR 11 HG21 THR 11 -3.454 4.646 -0.481
72 HG22 THR 11 HG22 THR 11 -4.378 5.805 0.475
73 HG23 THR 11 HG23 THR 11 -4.678 5.652 -1.256
74 H ARG 12 H ARG 12 -5.279 2.064 2.271
75 HA ARG 12 HA ARG 12 -2.747 2.823 3.335
76 HB2 ARG 12 HB2 ARG 12 -4.757 2.936 4.702
77 HB3 ARG 12 HB3 ARG 12 -4.994 1.201 4.541
78 HG2 ARG 12 HG2 ARG 12 -2.655 1.023 5.631
79 HG3 ARG 12 HG3 ARG 12 -2.955 2.686 6.139
80 HD2 ARG 12 HD2 ARG 12 -4.994 0.545 6.619
81 HD3 ARG 12 HD3 ARG 12 -3.627 0.747 7.714
82 HE ARG 12 HE ARG 12 -5.913 2.478 7.450
83 HH11 ARG 12 HH12 ARG 12 -2.604 2.216 8.499
84 HH12 ARG 12 HH11 ARG 12 -2.717 3.536 9.615
85 HH21 ARG 12 HH22 ARG 12 -6.074 4.218 8.916
86 HH22 ARG 12 HH21 ARG 12 -4.691 4.674 9.852
87 H LEU 13 H LEU 13 -4.272 -0.284 2.577
88 HA LEU 13 HA LEU 13 -2.237 -1.940 3.575
89 HB2 LEU 13 HB2 LEU 13 -4.437 -2.788 3.029
90 HB3 LEU 13 HB3 LEU 13 -4.192 -2.400 1.328
91 HG LEU 13 HG LEU 13 -2.172 -4.070 1.574
92 HD11 LEU 13 HD11 LEU 13 -2.032 -5.011 3.583
93 HD12 LEU 13 HD12 LEU 13 -3.509 -5.885 3.182
94 HD13 LEU 13 HD13 LEU 13 -3.598 -4.368 4.076
95 HD21 LEU 13 HD21 LEU 13 -3.597 -5.840 0.769
96 HD22 LEU 13 HD22 LEU 13 -4.142 -4.304 0.096
97 HD23 LEU 13 HD23 LEU 13 -5.023 -5.044 1.434
98 H ARG 14 H ARG 14 -2.674 -0.388 0.442
99 HA ARG 14 HA ARG 14 -0.649 -1.698 -0.971
100 HB2 ARG 14 HB2 ARG 14 -2.479 0.073 -1.697
101 HB3 ARG 14 HB3 ARG 14 -1.153 1.203 -1.458
102 HG2 ARG 14 HG2 ARG 14 0.210 -0.213 -3.014
103 HG3 ARG 14 HG3 ARG 14 -1.264 -1.118 -3.365
104 HD2 ARG 14 HD2 ARG 14 -2.299 1.159 -3.920
105 HD3 ARG 14 HD3 ARG 14 -0.642 1.761 -3.945
106 HE ARG 14 HE ARG 14 -1.127 -0.561 -5.596
107 HH11 ARG 14 HH12 ARG 14 -1.028 2.914 -5.422
108 HH12 ARG 14 HH11 ARG 14 -0.807 3.124 -7.127
109 HH21 ARG 14 HH22 ARG 14 -0.837 -0.299 -7.843
110 HH22 ARG 14 HH21 ARG 14 -0.700 1.295 -8.504
111 H LYS 15 H LYS 15 -0.537 1.060 1.212
112 HA LYS 15 HA LYS 15 2.065 1.935 0.696
113 HB2 LYS 15 HB2 LYS 15 0.304 3.069 2.123
114 HB3 LYS 15 HB3 LYS 15 0.741 1.951 3.408
115 HG2 LYS 15 HG2 LYS 15 2.030 3.749 3.962
116 HG3 LYS 15 HG3 LYS 15 3.159 2.853 2.943
117 HD2 LYS 15 HD2 LYS 15 1.362 4.833 1.642
118 HD3 LYS 15 HD3 LYS 15 2.716 5.441 2.596
119 HE2 LYS 15 HE2 LYS 15 4.071 3.669 1.215
120 HE3 LYS 15 HE3 LYS 15 2.726 3.827 0.087
121 HZ1 LYS 15 HZ1 LYS 15 3.707 5.636 -0.692
122 HZ2 LYS 15 HZ2 LYS 15 4.908 5.575 0.498
123 HZ3 LYS 15 HZ3 LYS 15 3.461 6.399 0.798
124 H GLN 16 H GLN 16 0.877 -0.562 2.904
125 HA GLN 16 HA GLN 16 3.325 -1.137 4.155
126 HB2 GLN 16 HB2 GLN 16 0.834 -2.766 3.700
127 HB3 GLN 16 HB3 GLN 16 2.223 -3.418 4.559
128 HG2 GLN 16 HG2 GLN 16 1.104 -0.808 5.436
129 HG3 GLN 16 HG3 GLN 16 0.231 -2.287 5.836
130 HE21 GLN 16 HE21 GLN 16 3.391 -0.733 6.060
131 HE22 GLN 16 HE22 GLN 16 3.868 -1.508 7.528
132 H MET 17 H MET 17 1.772 -2.576 1.305
133 HA MET 17 HA MET 17 3.839 -4.464 0.819
134 HB2 MET 17 HB2 MET 17 1.824 -3.343 -1.136
135 HB3 MET 17 HB3 MET 17 2.750 -4.825 -1.328
136 HG2 MET 17 HG2 MET 17 0.921 -4.455 1.008
137 HG3 MET 17 HG3 MET 17 0.301 -4.969 -0.559
138 HE1 MET 17 HE1 MET 17 -0.556 -6.866 -0.423
139 HE2 MET 17 HE2 MET 17 0.555 -8.021 -1.158
140 HE3 MET 17 HE3 MET 17 -0.064 -8.307 0.469
141 H ALA 18 H ALA 18 3.210 -1.184 -0.292
142 HA ALA 18 HA ALA 18 5.291 -1.155 -2.247
143 HB1 ALA 18 HB1 ALA 18 4.363 0.775 -2.844
144 HB2 ALA 18 HB2 ALA 18 3.164 0.503 -1.579
145 HB3 ALA 18 HB3 ALA 18 4.604 1.464 -1.238
146 H VAL 19 H VAL 19 5.097 -0.468 1.167
147 HA VAL 19 HA VAL 19 7.441 1.050 1.465
148 HB VAL 19 HB VAL 19 5.762 -0.592 3.292
149 HG11 VAL 19 HG11 VAL 19 7.874 -1.333 4.055
150 HG12 VAL 19 HG12 VAL 19 8.577 0.278 3.900
151 HG13 VAL 19 HG13 VAL 19 7.381 -0.046 5.155
152 HG21 VAL 19 HG21 VAL 19 6.426 1.823 4.469
153 HG22 VAL 19 HG22 VAL 19 6.329 2.201 2.749
154 HG23 VAL 19 HG23 VAL 19 4.951 1.467 3.570
155 H LYS 20 H LYS 20 6.893 -2.448 1.547
156 HA LYS 20 HA LYS 20 9.532 -3.171 2.250
157 HB2 LYS 20 HB2 LYS 20 7.202 -4.604 1.036
158 HB3 LYS 20 HB3 LYS 20 8.777 -5.386 1.053
159 HG2 LYS 20 HG2 LYS 20 8.778 -5.656 3.313
160 HG3 LYS 20 HG3 LYS 20 7.781 -4.227 3.596
161 HD2 LYS 20 HD2 LYS 20 6.720 -6.732 2.305
162 HD3 LYS 20 HD3 LYS 20 6.684 -6.464 4.049
163 HE2 LYS 20 HE2 LYS 20 5.336 -4.476 3.747
164 HE3 LYS 20 HE3 LYS 20 5.448 -4.633 1.995
165 HZ1 LYS 20 HZ1 LYS 20 4.072 -6.481 3.866
166 HZ2 LYS 20 HZ2 LYS 20 4.299 -6.798 2.220
167 HZ3 LYS 20 HZ3 LYS 20 3.352 -5.483 2.704
168 H LYS 21 H LYS 21 7.903 -2.835 -0.879
169 HA LYS 21 HA LYS 21 10.023 -3.734 -2.487
170 HB2 LYS 21 HB2 LYS 21 7.538 -3.213 -3.079
171 HB3 LYS 21 HB3 LYS 21 8.131 -1.588 -3.394
172 HG2 LYS 21 HG2 LYS 21 9.277 -4.049 -4.687
173 HG3 LYS 21 HG3 LYS 21 7.981 -3.082 -5.394
174 HD2 LYS 21 HD2 LYS 21 9.628 -1.099 -5.024
175 HD3 LYS 21 HD3 LYS 21 10.851 -2.369 -4.939
176 HE2 LYS 21 HE2 LYS 21 10.794 -1.670 -7.193
177 HE3 LYS 21 HE3 LYS 21 9.942 -3.212 -7.142
178 HZ1 LYS 21 HZ1 LYS 21 8.709 -0.514 -7.248
179 HZ2 LYS 21 HZ2 LYS 21 7.842 -1.954 -7.062
180 HZ3 LYS 21 HZ3 LYS 21 8.716 -1.671 -8.482
181 H TYR 22 H TYR 22 9.154 -0.477 -1.383
182 HA TYR 22 HA TYR 22 11.188 0.890 -2.771
183 HB2 TYR 22 HB2 TYR 22 9.540 1.549 -0.343
184 HB3 TYR 22 HB3 TYR 22 10.802 2.638 -0.907
185 HD1 TYR 22 HD2 TYR 22 10.641 2.913 -3.651
186 HD2 TYR 22 HD1 TYR 22 7.418 2.163 -0.976
187 HE1 TYR 22 HE2 TYR 22 9.074 3.895 -5.272
188 HE2 TYR 22 HE1 TYR 22 5.842 3.142 -2.591
189 HH TYR 22 HH TYR 22 6.130 3.433 -5.496
190 H LEU 23 H LEU 23 11.026 -0.175 0.625
191 HA LEU 23 HA LEU 23 13.647 0.618 1.293
192 HB2 LEU 23 HB2 LEU 23 13.254 -0.304 3.339
193 HB3 LEU 23 HB3 LEU 23 11.600 -0.103 2.765
194 HG LEU 23 HG LEU 23 11.793 -2.553 1.995
195 HD11 LEU 23 HD11 LEU 23 13.585 -3.764 2.526
196 HD12 LEU 23 HD12 LEU 23 13.635 -3.122 4.167
197 HD13 LEU 23 HD13 LEU 23 14.395 -2.232 2.849
198 HD21 LEU 23 HD21 LEU 23 11.880 -2.421 4.955
199 HD22 LEU 23 HD22 LEU 23 10.696 -3.173 3.886
200 HD23 LEU 23 HD23 LEU 23 10.678 -1.426 4.133
201 H ASN 24 H ASN 24 12.338 -2.302 -0.125
202 HA ASN 24 HA ASN 24 14.636 -3.926 0.229
203 HB2 ASN 24 HB2 ASN 24 12.641 -5.092 -0.217
204 HB3 ASN 24 HB3 ASN 24 12.247 -4.069 -1.596
205 HD21 ASN 24 HD21 ASN 24 13.482 -4.316 -3.528
206 HD22 ASN 24 HD22 ASN 24 14.243 -5.824 -3.887
207 H SER 25 H SER 25 13.496 -1.892 -2.439
208 HA SER 25 HA SER 25 15.635 -2.536 -4.196
209 HB2 SER 25 HB2 SER 25 13.446 -0.520 -4.136
210 HB3 SER 25 HB3 SER 25 14.827 -0.182 -5.179
211 HG SER 25 HG SER 25 13.046 -2.374 -5.262
212 H ILE 26 H ILE 26 14.995 0.285 -2.123
213 HA ILE 26 HA ILE 26 17.213 1.809 -2.692
214 HB ILE 26 HB ILE 26 15.903 1.432 0.003
215 HG12 ILE 26 HG12 ILE 26 15.483 3.790 -1.790
216 HG13 ILE 26 HG13 ILE 26 14.626 2.293 -2.140
217 HG21 ILE 26 HG21 ILE 26 17.261 2.967 0.884
218 HG22 ILE 26 HG22 ILE 26 18.302 2.680 -0.509
219 HG23 ILE 26 HG23 ILE 26 17.141 4.008 -0.535
220 HD11 ILE 26 HD11 ILE 26 13.096 3.344 -0.827
221 HD12 ILE 26 HD12 ILE 26 13.994 2.460 0.407
222 HD13 ILE 26 HD13 ILE 26 14.321 4.172 0.134
223 H LEU 27 H LEU 27 16.951 -0.677 -0.150
224 HA LEU 27 HA LEU 27 19.678 -0.519 0.612
225 HB2 LEU 27 HB2 LEU 27 17.517 -2.553 1.057
226 HB3 LEU 27 HB3 LEU 27 19.161 -2.809 1.637
227 HG LEU 27 HG LEU 27 17.380 -0.508 2.439
228 HD11 LEU 27 HD11 LEU 27 16.422 -2.435 3.389
229 HD12 LEU 27 HD12 LEU 27 17.424 -1.733 4.659
230 HD13 LEU 27 HD13 LEU 27 17.998 -3.136 3.758
231 HD21 LEU 27 HD21 LEU 27 19.319 -0.738 4.328
232 HD22 LEU 27 HD22 LEU 27 19.367 0.390 2.972
233 HD23 LEU 27 HD23 LEU 27 20.210 -1.156 2.864
234 H ASN 28 H ASN 28 17.890 -2.634 -1.586
235 HA ASN 28 HA ASN 28 19.596 -4.617 -2.191
236 HB2 ASN 28 HB2 ASN 28 17.476 -4.296 -3.368
237 HB3 ASN 28 HB3 ASN 28 18.142 -2.907 -4.222
238 HD21 ASN 28 HD21 ASN 28 19.029 -3.250 -6.131
239 HD22 ASN 28 HD22 ASN 28 19.502 -4.787 -6.764
240 H GLY 29 H GLY 29 19.944 -1.261 -3.257
241 HA2 GLY 29 HA2 GLY 29 22.153 -1.632 -4.957
242 HA3 GLY 29 HA3 GLY 29 21.724 -0.127 -4.157
Start of MODEL 2
1 H1 HIS 1 H HIS 1 -22.866 6.618 -4.387
2 HA HIS 1 HA HIS 1 -22.142 4.828 -2.172
3 HB2 HIS 1 HB2 HIS 1 -21.929 4.523 -5.166
4 HB3 HIS 1 HB3 HIS 1 -21.136 3.423 -4.042
5 HD1 HIS 1 HD1 HIS 1 -23.671 2.982 -6.111
6 HD2 HIS 1 HD2 HIS 1 -23.672 3.045 -1.956
7 HE1 HIS 1 HE1 HIS 1 -25.714 1.689 -5.419
8 HE2 HIS 1 HE2 HIS 1 -25.739 1.813 -2.904
9 H SER 2 H SER 2 -20.650 6.163 -1.136
10 HA SER 2 HA SER 2 -18.434 7.295 -2.598
11 HB2 SER 2 HB2 SER 2 -19.543 8.309 -0.523
12 HB3 SER 2 HB3 SER 2 -18.661 7.095 0.404
13 HG SER 2 HG SER 2 -17.775 9.423 -0.456
14 H ASP 3 H ASP 3 -18.936 4.652 -0.297
15 HA ASP 3 HA ASP 3 -17.585 2.941 0.386
16 HB2 ASP 3 HB2 ASP 3 -16.156 2.064 -1.684
17 HB3 ASP 3 HB3 ASP 3 -17.899 1.827 -1.591
18 H ALA 4 H ALA 4 -16.526 5.431 1.040
19 HA ALA 4 HA ALA 4 -13.854 5.823 0.263
20 HB1 ALA 4 HB1 ALA 4 -15.680 7.089 1.956
21 HB2 ALA 4 HB2 ALA 4 -14.302 6.671 2.975
22 HB3 ALA 4 HB3 ALA 4 -14.061 7.640 1.522
23 H VAL 5 H VAL 5 -15.287 3.946 2.892
24 HA VAL 5 HA VAL 5 -12.892 3.276 4.213
25 HB VAL 5 HB VAL 5 -15.038 2.961 5.299
26 HG11 VAL 5 HG11 VAL 5 -15.519 0.902 3.152
27 HG12 VAL 5 HG12 VAL 5 -16.496 1.052 4.613
28 HG13 VAL 5 HG13 VAL 5 -16.438 2.377 3.450
29 HG21 VAL 5 HG21 VAL 5 -13.077 0.810 5.022
30 HG22 VAL 5 HG22 VAL 5 -13.760 1.542 6.474
31 HG23 VAL 5 HG23 VAL 5 -14.645 0.274 5.626
32 H PHE 6 H PHE 6 -14.655 1.722 1.576
33 HA PHE 6 HA PHE 6 -13.163 -0.649 1.450
34 HB2 PHE 6 HB2 PHE 6 -14.788 0.874 -0.571
35 HB3 PHE 6 HB3 PHE 6 -13.914 -0.585 -1.028
36 HD1 PHE 6 HD1 PHE 6 -16.444 0.703 1.362
37 HD2 PHE 6 HD2 PHE 6 -14.848 -2.682 -0.666
38 HE1 PHE 6 HE1 PHE 6 -18.314 -0.668 2.186
39 HE2 PHE 6 HE2 PHE 6 -16.716 -4.058 0.154
40 HZ PHE 6 HZ PHE 6 -18.452 -3.051 1.581
41 H THR 7 H THR 7 -12.823 2.330 -0.477
42 HA THR 7 HA THR 7 -10.453 1.501 -1.786
43 HB THR 7 HB THR 7 -11.897 3.261 -2.707
44 HG1 THR 7 HG1 THR 7 -9.172 3.667 -2.219
45 HG21 THR 7 HG21 THR 7 -12.504 4.349 -0.584
46 HG22 THR 7 HG22 THR 7 -11.887 5.508 -1.762
47 HG23 THR 7 HG23 THR 7 -10.858 4.962 -0.438
48 H ASP 8 H ASP 8 -11.071 3.390 1.128
49 HA ASP 8 HA ASP 8 -8.498 4.342 1.608
50 HB2 ASP 8 HB2 ASP 8 -10.015 5.287 3.050
51 HB3 ASP 8 HB3 ASP 8 -10.880 3.774 3.302
52 H ASN 9 H ASN 9 -9.986 1.260 2.521
53 HA ASN 9 HA ASN 9 -7.873 0.265 4.069
54 HB2 ASN 9 HB2 ASN 9 -10.181 -0.939 2.616
55 HB3 ASN 9 HB3 ASN 9 -8.896 -2.017 3.155
56 HD21 ASN 9 HD21 ASN 9 -8.209 -1.600 5.489
57 HD22 ASN 9 HD22 ASN 9 -9.495 -1.397 6.625
58 H TYR 10 H TYR 10 -8.522 0.033 0.599
59 HA TYR 10 HA TYR 10 -6.320 -1.664 0.018
60 HB2 TYR 10 HB2 TYR 10 -7.714 0.239 -1.872
61 HB3 TYR 10 HB3 TYR 10 -6.784 -1.193 -2.302
62 HD1 TYR 10 HD1 TYR 10 -7.832 -3.167 -0.373
63 HD2 TYR 10 HD2 TYR 10 -9.865 -0.207 -2.655
64 HE1 TYR 10 HE1 TYR 10 -9.882 -4.524 -0.297
65 HE2 TYR 10 HE2 TYR 10 -11.920 -1.555 -2.584
66 HH TYR 10 HH TYR 10 -12.912 -3.326 -1.129
67 H THR 11 H THR 11 -6.789 1.838 -0.052
68 HA THR 11 HA THR 11 -4.351 2.548 -1.233
69 HB THR 11 HB THR 11 -5.966 4.100 0.800
70 HG1 THR 11 HG1 THR 11 -5.938 4.359 -2.034
71 HG21 THR 11 HG21 THR 11 -3.427 4.646 -0.423
72 HG22 THR 11 HG22 THR 11 -4.332 5.614 0.741
73 HG23 THR 11 HG23 THR 11 -4.624 5.811 -0.987
74 H ARG 12 H ARG 12 -5.221 2.126 2.184
75 HA ARG 12 HA ARG 12 -2.656 2.823 3.187
76 HB2 ARG 12 HB2 ARG 12 -4.833 2.845 4.476
77 HB3 ARG 12 HB3 ARG 12 -4.714 1.093 4.557
78 HG2 ARG 12 HG2 ARG 12 -2.484 1.395 5.668
79 HG3 ARG 12 HG3 ARG 12 -2.850 3.118 5.762
80 HD2 ARG 12 HD2 ARG 12 -4.588 2.797 7.263
81 HD3 ARG 12 HD3 ARG 12 -4.800 1.107 6.806
82 HE ARG 12 HE ARG 12 -2.937 2.171 8.740
83 HH11 ARG 12 HH12 ARG 12 -3.779 -0.516 6.693
84 HH12 ARG 12 HH11 ARG 12 -2.893 -1.675 7.628
85 HH21 ARG 12 HH22 ARG 12 -1.766 0.655 9.979
86 HH22 ARG 12 HH21 ARG 12 -1.749 -1.008 9.497
87 H LEU 13 H LEU 13 -4.241 -0.268 2.484
88 HA LEU 13 HA LEU 13 -2.215 -1.951 3.445
89 HB2 LEU 13 HB2 LEU 13 -4.381 -2.834 2.963
90 HB3 LEU 13 HB3 LEU 13 -4.266 -2.339 1.275
91 HG LEU 13 HG LEU 13 -2.235 -3.997 1.246
92 HD11 LEU 13 HD11 LEU 13 -2.826 -5.975 2.729
93 HD12 LEU 13 HD12 LEU 13 -3.803 -4.842 3.664
94 HD13 LEU 13 HD13 LEU 13 -2.064 -4.589 3.511
95 HD21 LEU 13 HD21 LEU 13 -4.473 -5.739 1.259
96 HD22 LEU 13 HD22 LEU 13 -3.648 -5.019 -0.124
97 HD23 LEU 13 HD23 LEU 13 -5.003 -4.178 0.631
98 H ARG 14 H ARG 14 -2.689 -0.434 0.293
99 HA ARG 14 HA ARG 14 -0.660 -1.765 -1.105
100 HB2 ARG 14 HB2 ARG 14 -2.525 -0.068 -1.883
101 HB3 ARG 14 HB3 ARG 14 -1.239 1.111 -1.667
102 HG2 ARG 14 HG2 ARG 14 -0.641 -1.327 -3.250
103 HG3 ARG 14 HG3 ARG 14 -1.661 -0.084 -3.978
104 HD2 ARG 14 HD2 ARG 14 0.047 1.575 -3.672
105 HD3 ARG 14 HD3 ARG 14 1.039 0.447 -2.750
106 HE ARG 14 HE ARG 14 0.771 -0.811 -5.113
107 HH11 ARG 14 HH12 ARG 14 1.697 2.437 -4.266
108 HH12 ARG 14 HH11 ARG 14 2.733 2.639 -5.640
109 HH21 ARG 14 HH22 ARG 14 2.132 -0.556 -6.926
110 HH22 ARG 14 HH21 ARG 14 2.979 0.937 -7.153
111 H LYS 15 H LYS 15 -0.577 1.055 0.995
112 HA LYS 15 HA LYS 15 2.019 1.939 0.421
113 HB2 LYS 15 HB2 LYS 15 0.650 3.398 1.670
114 HB3 LYS 15 HB3 LYS 15 0.272 2.161 2.862
115 HG2 LYS 15 HG2 LYS 15 1.795 3.848 3.751
116 HG3 LYS 15 HG3 LYS 15 2.542 2.249 3.712
117 HD2 LYS 15 HD2 LYS 15 4.145 3.864 2.942
118 HD3 LYS 15 HD3 LYS 15 3.637 2.879 1.568
119 HE2 LYS 15 HE2 LYS 15 2.512 4.603 0.574
120 HE3 LYS 15 HE3 LYS 15 2.148 5.393 2.107
121 HZ1 LYS 15 HZ1 LYS 15 4.949 5.271 1.290
122 HZ2 LYS 15 HZ2 LYS 15 4.117 6.487 2.120
123 HZ3 LYS 15 HZ3 LYS 15 3.942 6.336 0.444
124 H GLN 16 H GLN 16 0.840 -0.483 2.708
125 HA GLN 16 HA GLN 16 3.304 -0.964 3.995
126 HB2 GLN 16 HB2 GLN 16 0.710 -2.412 3.761
127 HB3 GLN 16 HB3 GLN 16 2.102 -3.308 4.352
128 HG2 GLN 16 HG2 GLN 16 1.346 -0.674 5.552
129 HG3 GLN 16 HG3 GLN 16 0.548 -2.166 6.047
130 HE21 GLN 16 HE21 GLN 16 3.639 -0.519 5.838
131 HE22 GLN 16 HE22 GLN 16 4.416 -1.418 7.092
132 H MET 17 H MET 17 1.714 -2.567 1.254
133 HA MET 17 HA MET 17 3.770 -4.486 0.858
134 HB2 MET 17 HB2 MET 17 1.721 -3.476 -1.122
135 HB3 MET 17 HB3 MET 17 2.658 -4.958 -1.263
136 HG2 MET 17 HG2 MET 17 0.922 -4.535 1.123
137 HG3 MET 17 HG3 MET 17 0.202 -5.023 -0.410
138 HE1 MET 17 HE1 MET 17 -0.821 -6.750 0.526
139 HE2 MET 17 HE2 MET 17 -0.167 -8.282 -0.054
140 HE3 MET 17 HE3 MET 17 -0.161 -7.918 1.672
141 H ALA 18 H ALA 18 3.138 -1.275 -0.435
142 HA ALA 18 HA ALA 18 5.192 -1.369 -2.416
143 HB1 ALA 18 HB1 ALA 18 4.463 0.675 -3.043
144 HB2 ALA 18 HB2 ALA 18 3.070 0.234 -2.054
145 HB3 ALA 18 HB3 ALA 18 4.338 1.260 -1.384
146 H VAL 19 H VAL 19 5.048 -0.488 0.955
147 HA VAL 19 HA VAL 19 7.400 1.037 1.135
148 HB VAL 19 HB VAL 19 5.743 -0.496 3.074
149 HG11 VAL 19 HG11 VAL 19 7.393 0.157 4.880
150 HG12 VAL 19 HG12 VAL 19 7.862 -1.199 3.852
151 HG13 VAL 19 HG13 VAL 19 8.569 0.396 3.589
152 HG21 VAL 19 HG21 VAL 19 6.615 2.081 3.943
153 HG22 VAL 19 HG22 VAL 19 6.071 2.190 2.269
154 HG23 VAL 19 HG23 VAL 19 4.991 1.548 3.507
155 H LYS 20 H LYS 20 6.844 -2.448 1.390
156 HA LYS 20 HA LYS 20 9.484 -3.148 2.114
157 HB2 LYS 20 HB2 LYS 20 7.140 -4.624 0.985
158 HB3 LYS 20 HB3 LYS 20 8.712 -5.411 1.012
159 HG2 LYS 20 HG2 LYS 20 8.742 -5.589 3.281
160 HG3 LYS 20 HG3 LYS 20 7.755 -4.146 3.519
161 HD2 LYS 20 HD2 LYS 20 6.665 -6.693 2.342
162 HD3 LYS 20 HD3 LYS 20 6.657 -6.360 4.076
163 HE2 LYS 20 HE2 LYS 20 5.293 -4.406 3.742
164 HE3 LYS 20 HE3 LYS 20 5.415 -4.569 1.991
165 HZ1 LYS 20 HZ1 LYS 20 3.316 -5.418 2.682
166 HZ2 LYS 20 HZ2 LYS 20 4.021 -6.402 3.863
167 HZ3 LYS 20 HZ3 LYS 20 4.268 -6.739 2.224
168 H LYS 21 H LYS 21 7.850 -2.891 -1.014
169 HA LYS 21 HA LYS 21 9.965 -3.883 -2.590
170 HB2 LYS 21 HB2 LYS 21 7.595 -3.597 -3.342
171 HB3 LYS 21 HB3 LYS 21 7.871 -1.861 -3.405
172 HG2 LYS 21 HG2 LYS 21 8.116 -2.608 -5.609
173 HG3 LYS 21 HG3 LYS 21 9.762 -2.368 -5.019
174 HD2 LYS 21 HD2 LYS 21 10.059 -4.716 -4.684
175 HD3 LYS 21 HD3 LYS 21 8.352 -5.032 -5.000
176 HE2 LYS 21 HE2 LYS 21 8.844 -3.942 -7.304
177 HE3 LYS 21 HE3 LYS 21 10.529 -4.286 -6.914
178 HZ1 LYS 21 HZ1 LYS 21 9.080 -6.592 -6.370
179 HZ2 LYS 21 HZ2 LYS 21 10.196 -6.344 -7.616
180 HZ3 LYS 21 HZ3 LYS 21 8.552 -6.045 -7.882
181 H TYR 22 H TYR 22 9.098 -0.592 -1.601
182 HA TYR 22 HA TYR 22 11.147 0.703 -3.063
183 HB2 TYR 22 HB2 TYR 22 9.364 1.486 -0.786
184 HB3 TYR 22 HB3 TYR 22 10.705 2.533 -1.238
185 HD1 TYR 22 HD1 TYR 22 8.211 0.549 -3.200
186 HD2 TYR 22 HD2 TYR 22 9.948 4.355 -2.427
187 HE1 TYR 22 HE1 TYR 22 6.832 1.533 -4.983
188 HE2 TYR 22 HE2 TYR 22 8.573 5.350 -4.207
189 HH TYR 22 HH TYR 22 7.169 3.754 -6.554
190 H LEU 23 H LEU 23 10.897 -0.132 0.393
191 HA LEU 23 HA LEU 23 13.487 0.718 1.088
192 HB2 LEU 23 HB2 LEU 23 13.139 -0.333 3.158
193 HB3 LEU 23 HB3 LEU 23 11.552 0.224 2.633
194 HG LEU 23 HG LEU 23 11.289 -2.215 1.753
195 HD11 LEU 23 HD11 LEU 23 12.903 -3.104 4.015
196 HD12 LEU 23 HD12 LEU 23 13.851 -2.433 2.689
197 HD13 LEU 23 HD13 LEU 23 12.750 -3.778 2.392
198 HD21 LEU 23 HD21 LEU 23 10.529 -2.904 4.063
199 HD22 LEU 23 HD22 LEU 23 9.854 -1.397 3.442
200 HD23 LEU 23 HD23 LEU 23 11.155 -1.357 4.633
201 H ASN 24 H ASN 24 12.270 -2.271 -0.250
202 HA ASN 24 HA ASN 24 14.513 -3.896 0.288
203 HB2 ASN 24 HB2 ASN 24 12.634 -5.113 -0.334
204 HB3 ASN 24 HB3 ASN 24 12.239 -4.021 -1.658
205 HD21 ASN 24 HD21 ASN 24 13.608 -4.083 -3.550
206 HD22 ASN 24 HD22 ASN 24 14.377 -5.566 -3.991
207 H SER 25 H SER 25 13.618 -1.977 -2.567
208 HA SER 25 HA SER 25 15.960 -2.629 -4.040
209 HB2 SER 25 HB2 SER 25 13.942 -1.872 -5.178
210 HB3 SER 25 HB3 SER 25 14.025 -0.319 -4.346
211 HG SER 25 HG SER 25 15.231 0.296 -5.940
212 H ILE 26 H ILE 26 15.019 0.183 -2.090
213 HA ILE 26 HA ILE 26 17.220 1.803 -2.526
214 HB ILE 26 HB ILE 26 15.614 1.463 0.008
215 HG12 ILE 26 HG12 ILE 26 15.437 3.722 -1.970
216 HG13 ILE 26 HG13 ILE 26 14.531 2.233 -2.214
217 HG21 ILE 26 HG21 ILE 26 18.046 2.819 -0.333
218 HG22 ILE 26 HG22 ILE 26 16.792 4.057 -0.296
219 HG23 ILE 26 HG23 ILE 26 16.941 2.914 1.037
220 HD11 ILE 26 HD11 ILE 26 12.936 3.248 -1.039
221 HD12 ILE 26 HD12 ILE 26 13.923 2.859 0.371
222 HD13 ILE 26 HD13 ILE 26 14.050 4.448 -0.384
223 H LEU 27 H LEU 27 16.792 -0.641 0.029
224 HA LEU 27 HA LEU 27 19.398 -0.333 1.100
225 HB2 LEU 27 HB2 LEU 27 17.511 -2.677 1.277
226 HB3 LEU 27 HB3 LEU 27 18.939 -2.432 2.281
227 HG LEU 27 HG LEU 27 16.755 -0.389 2.277
228 HD11 LEU 27 HD11 LEU 27 15.843 -2.758 2.634
229 HD12 LEU 27 HD12 LEU 27 15.469 -1.535 3.847
230 HD13 LEU 27 HD13 LEU 27 16.733 -2.724 4.156
231 HD21 LEU 27 HD21 LEU 27 17.573 0.083 4.472
232 HD22 LEU 27 HD22 LEU 27 18.958 0.001 3.383
233 HD23 LEU 27 HD23 LEU 27 18.599 -1.352 4.457
234 H ASN 28 H ASN 28 17.992 -2.582 -1.243
235 HA ASN 28 HA ASN 28 19.884 -4.456 -1.613
236 HB2 ASN 28 HB2 ASN 28 17.863 -4.283 -3.000
237 HB3 ASN 28 HB3 ASN 28 18.556 -2.901 -3.844
238 HD21 ASN 28 HD21 ASN 28 18.690 -3.741 -5.849
239 HD22 ASN 28 HD22 ASN 28 19.668 -5.101 -6.270
240 H GLY 29 H GLY 29 20.100 -1.108 -2.741
241 HA2 GLY 29 HA2 GLY 29 22.929 -1.614 -3.431
242 HA3 GLY 29 HA3 GLY 29 21.926 -0.411 -4.228
Start of MODEL 3
1 H1 HIS 1 H HIS 1 -18.981 7.336 -6.857
2 HA HIS 1 HA HIS 1 -16.822 6.162 -5.411
3 HB2 HIS 1 HB2 HIS 1 -16.962 8.301 -4.060
4 HB3 HIS 1 HB3 HIS 1 -16.713 8.510 -5.791
5 HD1 HIS 1 HD1 HIS 1 -18.850 9.282 -7.181
6 HD2 HIS 1 HD2 HIS 1 -19.209 9.504 -3.047
7 HE1 HIS 1 HE1 HIS 1 -20.838 10.763 -6.757
8 HE2 HIS 1 HE2 HIS 1 -20.984 10.951 -4.250
9 H SER 2 H SER 2 -19.058 4.551 -5.089
10 HA SER 2 HA SER 2 -20.297 5.105 -2.546
11 HB2 SER 2 HB2 SER 2 -21.252 3.776 -4.600
12 HB3 SER 2 HB3 SER 2 -20.404 2.415 -3.865
13 HG SER 2 HG SER 2 -21.609 3.350 -1.867
14 H ASP 3 H ASP 3 -17.959 2.735 -3.786
15 HA ASP 3 HA ASP 3 -17.471 1.663 -1.150
16 HB2 ASP 3 HB2 ASP 3 -15.515 0.546 -2.563
17 HB3 ASP 3 HB3 ASP 3 -17.177 -0.025 -2.673
18 H ALA 4 H ALA 4 -17.005 4.334 -1.032
19 HA ALA 4 HA ALA 4 -14.319 5.088 -1.542
20 HB1 ALA 4 HB1 ALA 4 -16.658 6.351 -0.635
21 HB2 ALA 4 HB2 ALA 4 -15.443 6.594 0.620
22 HB3 ALA 4 HB3 ALA 4 -15.111 7.098 -1.037
23 H VAL 5 H VAL 5 -15.996 4.019 1.405
24 HA VAL 5 HA VAL 5 -13.764 4.198 3.118
25 HB VAL 5 HB VAL 5 -15.800 4.062 4.237
26 HG11 VAL 5 HG11 VAL 5 -17.330 3.310 2.660
27 HG12 VAL 5 HG12 VAL 5 -16.426 1.828 2.343
28 HG13 VAL 5 HG13 VAL 5 -17.323 2.011 3.851
29 HG21 VAL 5 HG21 VAL 5 -14.642 1.279 4.379
30 HG22 VAL 5 HG22 VAL 5 -14.098 2.676 5.308
31 HG23 VAL 5 HG23 VAL 5 -15.711 2.014 5.574
32 H PHE 6 H PHE 6 -15.002 1.593 1.089
33 HA PHE 6 HA PHE 6 -13.276 -0.429 2.057
34 HB2 PHE 6 HB2 PHE 6 -14.845 -0.105 -0.494
35 HB3 PHE 6 HB3 PHE 6 -13.820 -1.508 -0.210
36 HD1 PHE 6 HD2 PHE 6 -14.379 -3.126 1.527
37 HD2 PHE 6 HD1 PHE 6 -16.912 0.188 0.680
38 HE1 PHE 6 HE2 PHE 6 -16.208 -4.212 2.764
39 HE2 PHE 6 HE1 PHE 6 -18.745 -0.892 1.916
40 HZ PHE 6 HZ PHE 6 -18.394 -3.095 2.960
41 H THR 7 H THR 7 -13.124 1.538 -0.912
42 HA THR 7 HA THR 7 -10.582 0.600 -1.713
43 HB THR 7 HB THR 7 -12.160 1.683 -3.272
44 HG1 THR 7 HG1 THR 7 -9.791 1.675 -3.589
45 HG21 THR 7 HG21 THR 7 -12.608 3.544 -1.433
46 HG22 THR 7 HG22 THR 7 -12.807 3.876 -3.154
47 HG23 THR 7 HG23 THR 7 -11.336 4.379 -2.323
48 H ASP 8 H ASP 8 -11.620 3.363 0.218
49 HA ASP 8 HA ASP 8 -9.216 4.759 0.357
50 HB2 ASP 8 HB2 ASP 8 -11.024 5.912 1.252
51 HB3 ASP 8 HB3 ASP 8 -11.583 4.522 2.178
52 H ASN 9 H ASN 9 -10.378 2.038 2.290
53 HA ASN 9 HA ASN 9 -8.154 2.028 4.074
54 HB2 ASN 9 HB2 ASN 9 -10.457 1.017 4.492
55 HB3 ASN 9 HB3 ASN 9 -9.946 -0.323 3.470
56 HD21 ASN 9 HD21 ASN 9 -10.598 -1.158 5.788
57 HD22 ASN 9 HD22 ASN 9 -9.251 -1.445 6.831
58 H TYR 10 H TYR 10 -8.794 0.658 0.950
59 HA TYR 10 HA TYR 10 -6.901 -1.407 0.918
60 HB2 TYR 10 HB2 TYR 10 -7.879 0.327 -1.360
61 HB3 TYR 10 HB3 TYR 10 -6.985 -1.177 -1.550
62 HD1 TYR 10 HD1 TYR 10 -8.868 -1.854 1.194
63 HD2 TYR 10 HD2 TYR 10 -9.384 -1.150 -2.970
64 HE1 TYR 10 HE1 TYR 10 -10.980 -3.114 1.249
65 HE2 TYR 10 HE2 TYR 10 -11.497 -2.408 -2.927
66 HH TYR 10 HH TYR 10 -12.799 -3.710 0.102
67 H THR 11 H THR 11 -6.594 2.043 0.300
68 HA THR 11 HA THR 11 -4.033 2.090 -0.803
69 HB THR 11 HB THR 11 -5.762 4.022 -0.420
70 HG1 THR 11 HG1 THR 11 -4.175 5.310 -1.115
71 HG21 THR 11 HG21 THR 11 -3.927 4.497 1.925
72 HG22 THR 11 HG22 THR 11 -5.549 3.822 2.088
73 HG23 THR 11 HG23 THR 11 -5.331 5.447 1.437
74 H ARG 12 H ARG 12 -5.068 2.054 2.576
75 HA ARG 12 HA ARG 12 -2.576 2.504 3.767
76 HB2 ARG 12 HB2 ARG 12 -4.727 0.727 4.912
77 HB3 ARG 12 HB3 ARG 12 -3.539 1.684 5.787
78 HG2 ARG 12 HG2 ARG 12 -5.867 2.721 4.185
79 HG3 ARG 12 HG3 ARG 12 -5.688 2.741 5.940
80 HD2 ARG 12 HD2 ARG 12 -3.950 4.212 3.962
81 HD3 ARG 12 HD3 ARG 12 -5.205 4.931 4.969
82 HE ARG 12 HE ARG 12 -3.118 3.531 6.403
83 HH11 ARG 12 HH12 ARG 12 -4.253 6.568 5.135
84 HH12 ARG 12 HH11 ARG 12 -3.284 7.526 6.206
85 HH21 ARG 12 HH22 ARG 12 -1.838 4.781 7.818
86 HH22 ARG 12 HH21 ARG 12 -1.911 6.508 7.731
87 H LEU 13 H LEU 13 -4.128 -0.487 2.697
88 HA LEU 13 HA LEU 13 -2.131 -2.230 3.713
89 HB2 LEU 13 HB2 LEU 13 -4.346 -3.042 3.214
90 HB3 LEU 13 HB3 LEU 13 -4.166 -2.594 1.519
91 HG LEU 13 HG LEU 13 -2.174 -4.296 1.595
92 HD11 LEU 13 HD11 LEU 13 -1.999 -4.954 3.790
93 HD12 LEU 13 HD12 LEU 13 -3.023 -6.228 3.130
94 HD13 LEU 13 HD13 LEU 13 -3.742 -4.911 4.057
95 HD21 LEU 13 HD21 LEU 13 -3.703 -6.064 0.900
96 HD22 LEU 13 HD22 LEU 13 -4.177 -4.511 0.211
97 HD23 LEU 13 HD23 LEU 13 -5.061 -5.173 1.587
98 H ARG 14 H ARG 14 -2.629 -0.643 0.599
99 HA ARG 14 HA ARG 14 -0.634 -1.960 -0.857
100 HB2 ARG 14 HB2 ARG 14 -2.487 -0.196 -1.547
101 HB3 ARG 14 HB3 ARG 14 -1.157 0.937 -1.347
102 HG2 ARG 14 HG2 ARG 14 0.156 -0.614 -2.900
103 HG3 ARG 14 HG3 ARG 14 -1.411 -1.329 -3.289
104 HD2 ARG 14 HD2 ARG 14 -2.161 1.092 -3.739
105 HD3 ARG 14 HD3 ARG 14 -0.439 1.465 -3.779
106 HE ARG 14 HE ARG 14 -0.381 0.581 -5.873
107 HH11 ARG 14 HH12 ARG 14 -3.074 -0.821 -4.168
108 HH12 ARG 14 HH11 ARG 14 -3.629 -1.735 -5.531
109 HH21 ARG 14 HH22 ARG 14 -1.102 -0.618 -7.674
110 HH22 ARG 14 HH21 ARG 14 -2.506 -1.620 -7.525
111 H LYS 15 H LYS 15 -0.485 0.803 1.317
112 HA LYS 15 HA LYS 15 2.101 1.688 0.739
113 HB2 LYS 15 HB2 LYS 15 0.489 2.925 2.144
114 HB3 LYS 15 HB3 LYS 15 0.681 1.719 3.409
115 HG2 LYS 15 HG2 LYS 15 2.119 3.299 4.176
116 HG3 LYS 15 HG3 LYS 15 3.227 2.377 3.157
117 HD2 LYS 15 HD2 LYS 15 2.425 4.052 1.305
118 HD3 LYS 15 HD3 LYS 15 1.996 5.057 2.692
119 HE2 LYS 15 HE2 LYS 15 4.711 3.810 2.497
120 HE3 LYS 15 HE3 LYS 15 4.347 5.297 1.622
121 HZ1 LYS 15 HZ1 LYS 15 3.901 6.425 3.625
122 HZ2 LYS 15 HZ2 LYS 15 5.340 5.577 3.893
123 HZ3 LYS 15 HZ3 LYS 15 3.885 4.998 4.533
124 H GLN 16 H GLN 16 0.966 -0.849 2.917
125 HA GLN 16 HA GLN 16 3.447 -1.398 4.138
126 HB2 GLN 16 HB2 GLN 16 0.879 -2.897 3.815
127 HB3 GLN 16 HB3 GLN 16 2.292 -3.744 4.428
128 HG2 GLN 16 HG2 GLN 16 1.119 -1.247 5.629
129 HG3 GLN 16 HG3 GLN 16 0.835 -2.887 6.210
130 HE21 GLN 16 HE21 GLN 16 3.067 -0.258 6.022
131 HE22 GLN 16 HE22 GLN 16 4.244 -0.901 7.112
132 H MET 17 H MET 17 1.830 -2.845 1.327
133 HA MET 17 HA MET 17 3.890 -4.727 0.794
134 HB2 MET 17 HB2 MET 17 1.776 -3.612 -1.058
135 HB3 MET 17 HB3 MET 17 2.759 -5.036 -1.369
136 HG2 MET 17 HG2 MET 17 1.121 -4.934 1.112
137 HG3 MET 17 HG3 MET 17 0.326 -5.244 -0.430
138 HE1 MET 17 HE1 MET 17 0.361 -8.036 1.855
139 HE2 MET 17 HE2 MET 17 2.050 -8.000 2.361
140 HE3 MET 17 HE3 MET 17 1.078 -6.529 2.427
141 H ALA 18 H ALA 18 3.227 -1.450 -0.301
142 HA ALA 18 HA ALA 18 5.257 -1.417 -2.309
143 HB1 ALA 18 HB1 ALA 18 4.077 0.368 -2.894
144 HB2 ALA 18 HB2 ALA 18 3.220 0.359 -1.352
145 HB3 ALA 18 HB3 ALA 18 4.750 1.223 -1.506
146 H VAL 19 H VAL 19 5.155 -0.750 1.110
147 HA VAL 19 HA VAL 19 7.494 0.783 1.356
148 HB VAL 19 HB VAL 19 5.880 -0.889 3.214
149 HG11 VAL 19 HG11 VAL 19 8.706 -0.006 3.745
150 HG12 VAL 19 HG12 VAL 19 7.549 -0.339 5.036
151 HG13 VAL 19 HG13 VAL 19 8.014 -1.620 3.916
152 HG21 VAL 19 HG21 VAL 19 5.830 1.719 2.552
153 HG22 VAL 19 HG22 VAL 19 5.288 1.099 4.111
154 HG23 VAL 19 HG23 VAL 19 6.907 1.777 3.947
155 H LYS 20 H LYS 20 6.973 -2.713 1.352
156 HA LYS 20 HA LYS 20 9.619 -3.446 2.017
157 HB2 LYS 20 HB2 LYS 20 7.291 -4.849 0.761
158 HB3 LYS 20 HB3 LYS 20 8.871 -5.622 0.748
159 HG2 LYS 20 HG2 LYS 20 8.882 -5.961 3.000
160 HG3 LYS 20 HG3 LYS 20 7.865 -4.556 3.329
161 HD2 LYS 20 HD2 LYS 20 6.836 -7.027 1.951
162 HD3 LYS 20 HD3 LYS 20 6.804 -6.829 3.704
163 HE2 LYS 20 HE2 LYS 20 5.344 -4.975 3.562
164 HE3 LYS 20 HE3 LYS 20 5.600 -4.813 1.825
165 HZ1 LYS 20 HZ1 LYS 20 4.486 -7.329 2.817
166 HZ2 LYS 20 HZ2 LYS 20 4.191 -6.518 1.362
167 HZ3 LYS 20 HZ3 LYS 20 3.472 -5.975 2.794
168 H LYS 21 H LYS 21 7.978 -2.974 -1.085
169 HA LYS 21 HA LYS 21 10.125 -3.800 -2.720
170 HB2 LYS 21 HB2 LYS 21 7.639 -3.402 -3.326
171 HB3 LYS 21 HB3 LYS 21 8.115 -1.723 -3.549
172 HG2 LYS 21 HG2 LYS 21 9.706 -3.822 -4.920
173 HG3 LYS 21 HG3 LYS 21 8.100 -3.442 -5.546
174 HD2 LYS 21 HD2 LYS 21 8.688 -1.285 -6.115
175 HD3 LYS 21 HD3 LYS 21 9.997 -1.218 -4.932
176 HE2 LYS 21 HE2 LYS 21 10.038 -2.945 -7.402
177 HE3 LYS 21 HE3 LYS 21 10.744 -1.332 -7.317
178 HZ1 LYS 21 HZ1 LYS 21 12.550 -2.589 -6.805
179 HZ2 LYS 21 HZ2 LYS 21 11.649 -3.825 -6.082
180 HZ3 LYS 21 HZ3 LYS 21 11.932 -2.384 -5.243
181 H TYR 22 H TYR 22 9.252 -0.697 -1.311
182 HA TYR 22 HA TYR 22 11.155 0.844 -2.750
183 HB2 TYR 22 HB2 TYR 22 9.476 1.285 -0.312
184 HB3 TYR 22 HB3 TYR 22 10.779 2.413 -0.670
185 HD1 TYR 22 HD1 TYR 22 8.379 0.644 -2.919
186 HD2 TYR 22 HD2 TYR 22 9.805 4.370 -1.438
187 HE1 TYR 22 HE1 TYR 22 6.912 1.828 -4.499
188 HE2 TYR 22 HE2 TYR 22 8.341 5.563 -3.013
189 HH TYR 22 HH TYR 22 5.819 4.111 -4.639
190 H LEU 23 H LEU 23 11.140 -0.383 0.598
191 HA LEU 23 HA LEU 23 13.711 0.469 1.285
192 HB2 LEU 23 HB2 LEU 23 13.604 -1.259 3.046
193 HB3 LEU 23 HB3 LEU 23 12.167 -0.241 2.970
194 HG LEU 23 HG LEU 23 11.177 -2.191 1.564
195 HD11 LEU 23 HD11 LEU 23 12.748 -4.057 3.155
196 HD12 LEU 23 HD12 LEU 23 13.694 -3.225 1.921
197 HD13 LEU 23 HD13 LEU 23 12.257 -4.139 1.463
198 HD21 LEU 23 HD21 LEU 23 11.019 -3.401 4.025
199 HD22 LEU 23 HD22 LEU 23 9.981 -2.097 3.448
200 HD23 LEU 23 HD23 LEU 23 11.398 -1.728 4.432
201 H ASN 24 H ASN 24 12.606 -2.395 -0.410
202 HA ASN 24 HA ASN 24 14.973 -3.903 -0.272
203 HB2 ASN 24 HB2 ASN 24 12.905 -4.933 -0.983
204 HB3 ASN 24 HB3 ASN 24 12.794 -3.851 -2.368
205 HD21 ASN 24 HD21 ASN 24 13.645 -4.488 -4.228
206 HD22 ASN 24 HD22 ASN 24 14.682 -5.853 -4.441
207 H SER 25 H SER 25 13.824 -1.592 -2.713
208 HA SER 25 HA SER 25 16.030 -1.842 -4.447
209 HB2 SER 25 HB2 SER 25 13.969 0.316 -4.034
210 HB3 SER 25 HB3 SER 25 15.266 0.497 -5.216
211 HG SER 25 HG SER 25 14.495 -1.643 -6.002
212 H ILE 26 H ILE 26 15.304 0.615 -1.972
213 HA ILE 26 HA ILE 26 17.654 2.096 -2.233
214 HB ILE 26 HB ILE 26 15.791 1.686 0.090
215 HG12 ILE 26 HG12 ILE 26 14.896 3.749 -0.494
216 HG13 ILE 26 HG13 ILE 26 16.374 4.280 -1.290
217 HG21 ILE 26 HG21 ILE 26 17.078 3.753 1.012
218 HG22 ILE 26 HG22 ILE 26 17.708 2.130 1.291
219 HG23 ILE 26 HG23 ILE 26 18.399 3.137 0.019
220 HD11 ILE 26 HD11 ILE 26 15.914 2.708 -3.124
221 HD12 ILE 26 HD12 ILE 26 14.399 2.267 -2.335
222 HD13 ILE 26 HD13 ILE 26 14.643 3.914 -2.918
223 H LEU 27 H LEU 27 16.940 -0.738 -0.242
224 HA LEU 27 HA LEU 27 19.532 -0.743 1.002
225 HB2 LEU 27 HB2 LEU 27 17.404 -2.877 0.918
226 HB3 LEU 27 HB3 LEU 27 18.827 -2.884 1.958
227 HG LEU 27 HG LEU 27 16.810 -0.670 2.122
228 HD11 LEU 27 HD11 LEU 27 16.514 -3.470 2.990
229 HD12 LEU 27 HD12 LEU 27 15.289 -2.252 2.634
230 HD13 LEU 27 HD13 LEU 27 16.118 -2.241 4.191
231 HD21 LEU 27 HD21 LEU 27 18.751 -1.876 4.091
232 HD22 LEU 27 HD22 LEU 27 17.653 -0.535 4.419
233 HD23 LEU 27 HD23 LEU 27 18.948 -0.346 3.236
234 H ASN 28 H ASN 28 18.081 -2.144 -1.823
235 HA ASN 28 HA ASN 28 19.986 -4.211 -2.239
236 HB2 ASN 28 HB2 ASN 28 17.833 -2.926 -3.841
237 HB3 ASN 28 HB3 ASN 28 19.079 -3.806 -4.723
238 HD21 ASN 28 HD21 ASN 28 19.631 -5.954 -3.371
239 HD22 ASN 28 HD22 ASN 28 18.237 -6.930 -3.073
240 H GLY 29 H GLY 29 19.962 -0.807 -2.855
241 HA2 GLY 29 HA2 GLY 29 21.787 0.530 -3.396
242 HA3 GLY 29 HA3 GLY 29 22.725 -0.923 -3.710
Start of MODEL 4
1 H1 HIS 1 H HIS 1 -20.543 -3.547 -5.810
2 HA HIS 1 HA HIS 1 -20.709 -0.828 -5.439
3 HB2 HIS 1 HB2 HIS 1 -20.857 -2.984 -3.321
4 HB3 HIS 1 HB3 HIS 1 -21.431 -1.330 -3.122
5 HD1 HIS 1 HD1 HIS 1 -23.808 -0.938 -3.708
6 HD2 HIS 1 HD2 HIS 1 -22.321 -4.393 -5.471
7 HE1 HIS 1 HE1 HIS 1 -25.779 -2.018 -4.836
8 HE2 HIS 1 HE2 HIS 1 -24.872 -4.151 -5.823
9 H SER 2 H SER 2 -19.395 0.711 -4.708
10 HA SER 2 HA SER 2 -16.994 -0.105 -3.205
11 HB2 SER 2 HB2 SER 2 -16.766 0.772 -5.670
12 HB3 SER 2 HB3 SER 2 -17.005 2.352 -4.923
13 HG SER 2 HG SER 2 -15.076 0.510 -3.983
14 H ASP 3 H ASP 3 -16.046 1.678 -1.889
15 HA ASP 3 HA ASP 3 -17.753 3.862 -1.131
16 HB2 ASP 3 HB2 ASP 3 -17.441 1.461 0.659
17 HB3 ASP 3 HB3 ASP 3 -17.777 3.060 1.318
18 H ALA 4 H ALA 4 -16.770 4.845 1.036
19 HA ALA 4 HA ALA 4 -14.120 5.603 0.396
20 HB1 ALA 4 HB1 ALA 4 -15.662 7.107 1.539
21 HB2 ALA 4 HB2 ALA 4 -15.667 6.045 2.947
22 HB3 ALA 4 HB3 ALA 4 -14.187 6.880 2.479
23 H VAL 5 H VAL 5 -15.460 3.558 2.977
24 HA VAL 5 HA VAL 5 -13.023 2.973 4.248
25 HB VAL 5 HB VAL 5 -15.238 2.540 5.260
26 HG11 VAL 5 HG11 VAL 5 -16.104 1.522 3.045
27 HG12 VAL 5 HG12 VAL 5 -15.414 0.018 3.658
28 HG13 VAL 5 HG13 VAL 5 -16.671 0.850 4.574
29 HG21 VAL 5 HG21 VAL 5 -13.363 1.487 6.283
30 HG22 VAL 5 HG22 VAL 5 -14.658 0.292 6.217
31 HG23 VAL 5 HG23 VAL 5 -13.330 0.218 5.059
32 H PHE 6 H PHE 6 -14.728 1.386 1.593
33 HA PHE 6 HA PHE 6 -13.115 -0.902 1.409
34 HB2 PHE 6 HB2 PHE 6 -14.927 0.550 -0.478
35 HB3 PHE 6 HB3 PHE 6 -13.887 -0.724 -1.107
36 HD1 PHE 6 HD1 PHE 6 -16.186 -0.165 1.782
37 HD2 PHE 6 HD2 PHE 6 -14.792 -2.821 -1.237
38 HE1 PHE 6 HE1 PHE 6 -17.818 -1.852 2.518
39 HE2 PHE 6 HE2 PHE 6 -16.422 -4.512 -0.507
40 HZ PHE 6 HZ PHE 6 -17.939 -4.029 1.372
41 H THR 7 H THR 7 -12.961 2.125 -0.468
42 HA THR 7 HA THR 7 -10.581 1.457 -1.837
43 HB THR 7 HB THR 7 -12.142 3.195 -2.637
44 HG1 THR 7 HG1 THR 7 -9.674 4.484 -2.158
45 HG21 THR 7 HG21 THR 7 -12.231 5.373 -1.624
46 HG22 THR 7 HG22 THR 7 -11.007 4.922 -0.437
47 HG23 THR 7 HG23 THR 7 -12.604 4.175 -0.385
48 H ASP 8 H ASP 8 -11.214 3.201 1.162
49 HA ASP 8 HA ASP 8 -8.662 4.233 1.619
50 HB2 ASP 8 HB2 ASP 8 -10.253 5.076 3.075
51 HB3 ASP 8 HB3 ASP 8 -10.962 3.493 3.382
52 H ASN 9 H ASN 9 -10.062 1.125 2.628
53 HA ASN 9 HA ASN 9 -7.896 0.144 4.066
54 HB2 ASN 9 HB2 ASN 9 -10.111 -0.931 4.030
55 HB3 ASN 9 HB3 ASN 9 -9.845 -1.424 2.360
56 HD21 ASN 9 HD21 ASN 9 -9.512 -2.270 5.583
57 HD22 ASN 9 HD22 ASN 9 -8.494 -3.652 5.383
58 H TYR 10 H TYR 10 -8.579 -0.060 0.597
59 HA TYR 10 HA TYR 10 -6.312 -1.655 -0.029
60 HB2 TYR 10 HB2 TYR 10 -7.801 0.200 -1.892
61 HB3 TYR 10 HB3 TYR 10 -6.836 -1.204 -2.334
62 HD1 TYR 10 HD1 TYR 10 -7.786 -3.230 -0.435
63 HD2 TYR 10 HD2 TYR 10 -9.963 -0.285 -2.602
64 HE1 TYR 10 HE1 TYR 10 -9.793 -4.647 -0.332
65 HE2 TYR 10 HE2 TYR 10 -11.977 -1.694 -2.504
66 HH TYR 10 HH TYR 10 -12.045 -4.770 -1.981
67 H THR 11 H THR 11 -6.946 1.825 -0.105
68 HA THR 11 HA THR 11 -4.556 2.650 -1.298
69 HB THR 11 HB THR 11 -6.088 4.178 0.813
70 HG1 THR 11 HG1 THR 11 -6.484 4.330 -1.995
71 HG21 THR 11 HG21 THR 11 -3.791 4.981 0.015
72 HG22 THR 11 HG22 THR 11 -5.127 6.127 -0.087
73 HG23 THR 11 HG23 THR 11 -4.572 5.287 -1.535
74 H ARG 12 H ARG 12 -5.365 2.178 2.127
75 HA ARG 12 HA ARG 12 -2.805 2.975 3.087
76 HB2 ARG 12 HB2 ARG 12 -4.787 3.079 4.511
77 HB3 ARG 12 HB3 ARG 12 -4.972 1.333 4.408
78 HG2 ARG 12 HG2 ARG 12 -2.412 2.432 5.447
79 HG3 ARG 12 HG3 ARG 12 -3.839 2.466 6.484
80 HD2 ARG 12 HD2 ARG 12 -4.036 -0.046 5.690
81 HD3 ARG 12 HD3 ARG 12 -2.303 0.147 5.429
82 HE ARG 12 HE ARG 12 -1.993 0.185 7.702
83 HH11 ARG 12 HH12 ARG 12 -5.377 0.580 6.986
84 HH12 ARG 12 HH11 ARG 12 -5.879 0.414 8.636
85 HH21 ARG 12 HH22 ARG 12 -2.642 -0.035 9.878
86 HH22 ARG 12 HH21 ARG 12 -4.322 0.065 10.280
87 H LEU 13 H LEU 13 -4.317 -0.159 2.426
88 HA LEU 13 HA LEU 13 -2.259 -1.792 3.391
89 HB2 LEU 13 HB2 LEU 13 -4.440 -2.676 2.867
90 HB3 LEU 13 HB3 LEU 13 -4.238 -2.259 1.167
91 HG LEU 13 HG LEU 13 -2.196 -3.902 1.330
92 HD11 LEU 13 HD11 LEU 13 -3.644 -5.649 3.053
93 HD12 LEU 13 HD12 LEU 13 -3.308 -4.146 3.912
94 HD13 LEU 13 HD13 LEU 13 -1.985 -5.069 3.200
95 HD21 LEU 13 HD21 LEU 13 -4.128 -5.783 1.105
96 HD22 LEU 13 HD22 LEU 13 -3.672 -4.670 -0.184
97 HD23 LEU 13 HD23 LEU 13 -5.065 -4.314 0.837
98 H ARG 14 H ARG 14 -2.749 -0.302 0.227
99 HA ARG 14 HA ARG 14 -0.682 -1.584 -1.155
100 HB2 ARG 14 HB2 ARG 14 -2.571 0.061 -1.957
101 HB3 ARG 14 HB3 ARG 14 -1.333 1.284 -1.703
102 HG2 ARG 14 HG2 ARG 14 -1.253 0.667 -3.987
103 HG3 ARG 14 HG3 ARG 14 0.161 -0.047 -3.209
104 HD2 ARG 14 HD2 ARG 14 -0.563 -1.856 -4.392
105 HD3 ARG 14 HD3 ARG 14 -1.490 -2.093 -2.911
106 HE ARG 14 HE ARG 14 -2.853 -0.529 -4.904
107 HH11 ARG 14 HH12 ARG 14 -2.182 -3.740 -3.740
108 HH12 ARG 14 HH11 ARG 14 -3.605 -4.434 -4.444
109 HH21 ARG 14 HH22 ARG 14 -4.730 -1.430 -5.836
110 HH22 ARG 14 HH21 ARG 14 -5.053 -3.119 -5.638
111 H LYS 15 H LYS 15 -0.666 1.233 0.952
112 HA LYS 15 HA LYS 15 1.926 2.152 0.394
113 HB2 LYS 15 HB2 LYS 15 0.226 3.432 1.664
114 HB3 LYS 15 HB3 LYS 15 0.417 2.317 3.010
115 HG2 LYS 15 HG2 LYS 15 1.790 3.985 3.707
116 HG3 LYS 15 HG3 LYS 15 2.950 3.031 2.780
117 HD2 LYS 15 HD2 LYS 15 1.406 5.142 1.360
118 HD3 LYS 15 HD3 LYS 15 2.712 5.644 2.438
119 HE2 LYS 15 HE2 LYS 15 4.165 3.966 1.194
120 HE3 LYS 15 HE3 LYS 15 2.869 3.887 0.002
121 HZ1 LYS 15 HZ1 LYS 15 3.410 5.877 -0.828
122 HZ2 LYS 15 HZ2 LYS 15 4.899 5.645 -0.061
123 HZ3 LYS 15 HZ3 LYS 15 3.695 6.565 0.691
124 H GLN 16 H GLN 16 0.747 -0.194 2.772
125 HA GLN 16 HA GLN 16 3.208 -0.648 4.056
126 HB2 GLN 16 HB2 GLN 16 0.608 -2.079 3.875
127 HB3 GLN 16 HB3 GLN 16 1.995 -2.996 4.447
128 HG2 GLN 16 HG2 GLN 16 1.416 -0.338 5.655
129 HG3 GLN 16 HG3 GLN 16 0.439 -1.730 6.118
130 HE21 GLN 16 HE21 GLN 16 2.910 0.045 7.110
131 HE22 GLN 16 HE22 GLN 16 3.855 -1.138 7.942
132 H MET 17 H MET 17 1.625 -2.335 1.361
133 HA MET 17 HA MET 17 3.691 -4.255 1.020
134 HB2 MET 17 HB2 MET 17 1.571 -3.305 -0.914
135 HB3 MET 17 HB3 MET 17 2.589 -4.719 -1.149
136 HG2 MET 17 HG2 MET 17 1.609 -5.425 1.175
137 HG3 MET 17 HG3 MET 17 0.325 -4.301 0.733
138 HE1 MET 17 HE1 MET 17 -1.139 -7.589 0.572
139 HE2 MET 17 HE2 MET 17 0.412 -8.383 0.301
140 HE3 MET 17 HE3 MET 17 0.271 -7.116 1.521
141 H ALA 18 H ALA 18 3.048 -1.083 -0.355
142 HA ALA 18 HA ALA 18 5.097 -1.223 -2.340
143 HB1 ALA 18 HB1 ALA 18 4.472 0.900 -2.946
144 HB2 ALA 18 HB2 ALA 18 2.995 0.333 -2.167
145 HB3 ALA 18 HB3 ALA 18 4.107 1.384 -1.290
146 H VAL 19 H VAL 19 4.986 -0.348 1.018
147 HA VAL 19 HA VAL 19 7.297 1.238 1.181
148 HB VAL 19 HB VAL 19 5.712 -0.361 3.124
149 HG11 VAL 19 HG11 VAL 19 7.862 -1.023 3.854
150 HG12 VAL 19 HG12 VAL 19 8.523 0.595 3.613
151 HG13 VAL 19 HG13 VAL 19 7.370 0.297 4.915
152 HG21 VAL 19 HG21 VAL 19 5.460 1.745 4.223
153 HG22 VAL 19 HG22 VAL 19 6.743 2.469 3.252
154 HG23 VAL 19 HG23 VAL 19 5.217 2.011 2.496
155 H LYS 20 H LYS 20 6.856 -2.264 1.595
156 HA LYS 20 HA LYS 20 9.488 -2.923 2.234
157 HB2 LYS 20 HB2 LYS 20 7.164 -4.383 1.089
158 HB3 LYS 20 HB3 LYS 20 8.744 -5.140 0.934
159 HG2 LYS 20 HG2 LYS 20 7.775 -5.996 2.906
160 HG3 LYS 20 HG3 LYS 20 9.011 -4.844 3.417
161 HD2 LYS 20 HD2 LYS 20 7.147 -4.388 4.777
162 HD3 LYS 20 HD3 LYS 20 7.129 -3.129 3.539
163 HE2 LYS 20 HE2 LYS 20 4.894 -4.096 3.980
164 HE3 LYS 20 HE3 LYS 20 5.420 -4.296 2.309
165 HZ1 LYS 20 HZ1 LYS 20 4.557 -6.270 4.027
166 HZ2 LYS 20 HZ2 LYS 20 6.225 -6.510 3.887
167 HZ3 LYS 20 HZ3 LYS 20 5.256 -6.484 2.501
168 H LYS 21 H LYS 21 7.918 -2.642 -0.930
169 HA LYS 21 HA LYS 21 10.029 -3.534 -2.519
170 HB2 LYS 21 HB2 LYS 21 7.701 -3.096 -3.303
171 HB3 LYS 21 HB3 LYS 21 8.035 -1.372 -3.217
172 HG2 LYS 21 HG2 LYS 21 9.851 -3.080 -4.834
173 HG3 LYS 21 HG3 LYS 21 8.249 -2.705 -5.472
174 HD2 LYS 21 HD2 LYS 21 8.677 -0.365 -5.392
175 HD3 LYS 21 HD3 LYS 21 10.157 -0.605 -4.461
176 HE2 LYS 21 HE2 LYS 21 10.861 -0.175 -6.667
177 HE3 LYS 21 HE3 LYS 21 11.023 -1.917 -6.452
178 HZ1 LYS 21 HZ1 LYS 21 9.694 -0.671 -8.476
179 HZ2 LYS 21 HZ2 LYS 21 8.447 -1.170 -7.448
180 HZ3 LYS 21 HZ3 LYS 21 9.548 -2.303 -8.052
181 H TYR 22 H TYR 22 9.405 -0.382 -1.093
182 HA TYR 22 HA TYR 22 11.406 1.035 -2.508
183 HB2 TYR 22 HB2 TYR 22 9.849 1.530 0.004
184 HB3 TYR 22 HB3 TYR 22 11.209 2.574 -0.394
185 HD1 TYR 22 HD1 TYR 22 8.575 1.021 -2.541
186 HD2 TYR 22 HD2 TYR 22 10.356 4.606 -1.100
187 HE1 TYR 22 HE1 TYR 22 7.123 2.333 -4.030
188 HE2 TYR 22 HE2 TYR 22 8.908 5.929 -2.584
189 HH TYR 22 HH TYR 22 7.517 5.807 -4.385
190 H LEU 23 H LEU 23 11.375 -0.508 0.691
191 HA LEU 23 HA LEU 23 14.059 0.164 1.326
192 HB2 LEU 23 HB2 LEU 23 12.561 -2.186 2.440
193 HB3 LEU 23 HB3 LEU 23 13.815 -1.221 3.214
194 HG LEU 23 HG LEU 23 10.987 -0.343 2.636
195 HD11 LEU 23 HD11 LEU 23 11.192 -0.144 5.263
196 HD12 LEU 23 HD12 LEU 23 12.385 -1.420 5.024
197 HD13 LEU 23 HD13 LEU 23 10.724 -1.654 4.481
198 HD21 LEU 23 HD21 LEU 23 13.281 1.227 2.868
199 HD22 LEU 23 HD22 LEU 23 12.495 1.319 4.445
200 HD23 LEU 23 HD23 LEU 23 11.604 1.762 2.988
201 H ASN 24 H ASN 24 12.541 -2.568 -0.272
202 HA ASN 24 HA ASN 24 14.712 -4.344 -0.229
203 HB2 ASN 24 HB2 ASN 24 12.816 -5.428 -0.919
204 HB3 ASN 24 HB3 ASN 24 12.239 -4.050 -1.852
205 HD21 ASN 24 HD21 ASN 24 12.505 -4.067 -3.982
206 HD22 ASN 24 HD22 ASN 24 13.457 -5.210 -4.860
207 H SER 25 H SER 25 13.702 -2.028 -2.738
208 HA SER 25 HA SER 25 15.937 -2.527 -4.419
209 HB2 SER 25 HB2 SER 25 13.651 -1.461 -5.015
210 HB3 SER 25 HB3 SER 25 14.373 0.043 -4.446
211 HG SER 25 HG SER 25 15.465 -1.632 -6.462
212 H ILE 26 H ILE 26 15.167 0.086 -2.136
213 HA ILE 26 HA ILE 26 17.474 1.612 -2.511
214 HB ILE 26 HB ILE 26 15.789 1.276 -0.030
215 HG12 ILE 26 HG12 ILE 26 15.826 3.625 -1.911
216 HG13 ILE 26 HG13 ILE 26 14.813 2.220 -2.230
217 HG21 ILE 26 HG21 ILE 26 17.156 3.790 -0.185
218 HG22 ILE 26 HG22 ILE 26 17.190 2.578 1.095
219 HG23 ILE 26 HG23 ILE 26 18.320 2.466 -0.254
220 HD11 ILE 26 HD11 ILE 26 14.460 3.100 0.476
221 HD12 ILE 26 HD12 ILE 26 14.208 4.436 -0.648
222 HD13 ILE 26 HD13 ILE 26 13.275 2.949 -0.822
223 H LEU 27 H LEU 27 16.816 -0.831 0.003
224 HA LEU 27 HA LEU 27 19.378 -0.778 1.150
225 HB2 LEU 27 HB2 LEU 27 17.294 -2.950 1.074
226 HB3 LEU 27 HB3 LEU 27 18.758 -3.029 2.050
227 HG LEU 27 HG LEU 27 16.821 -0.765 2.376
228 HD11 LEU 27 HD11 LEU 27 15.978 -2.225 4.343
229 HD12 LEU 27 HD12 LEU 27 16.567 -3.572 3.371
230 HD13 LEU 27 HD13 LEU 27 15.329 -2.495 2.725
231 HD21 LEU 27 HD21 LEU 27 18.911 -2.078 4.098
232 HD22 LEU 27 HD22 LEU 27 17.742 -0.911 4.714
233 HD23 LEU 27 HD23 LEU 27 18.898 -0.430 3.471
234 H ASN 28 H ASN 28 18.009 -2.752 -1.442
235 HA ASN 28 HA ASN 28 19.967 -4.633 -1.808
236 HB2 ASN 28 HB2 ASN 28 17.937 -4.638 -3.134
237 HB3 ASN 28 HB3 ASN 28 18.407 -3.136 -3.924
238 HD21 ASN 28 HD21 ASN 28 19.346 -6.502 -3.474
239 HD22 ASN 28 HD22 ASN 28 20.139 -6.673 -4.999
240 H GLY 29 H GLY 29 20.000 -1.251 -2.808
241 HA2 GLY 29 HA2 GLY 29 22.543 -1.535 -4.170
242 HA3 GLY 29 HA3 GLY 29 21.630 -0.048 -3.958
Start of MODEL 5
1 H1 HIS 1 H HIS 1 -22.907 1.265 -2.736
2 HA HIS 1 HA HIS 1 -22.067 3.974 -2.196
3 HB2 HIS 1 HB2 HIS 1 -23.798 3.948 -0.467
4 HB3 HIS 1 HB3 HIS 1 -24.434 3.332 -1.990
5 HD1 HIS 1 HD1 HIS 1 -25.932 1.421 -1.597
6 HD2 HIS 1 HD2 HIS 1 -22.798 1.492 1.130
7 HE1 HIS 1 HE1 HIS 1 -26.278 -0.587 -0.122
8 HE2 HIS 1 HE2 HIS 1 -24.419 -0.475 1.573
9 H SER 2 H SER 2 -21.108 4.720 -0.284
10 HA SER 2 HA SER 2 -19.617 4.693 1.433
11 HB2 SER 2 HB2 SER 2 -21.027 2.070 1.909
12 HB3 SER 2 HB3 SER 2 -19.746 2.648 2.974
13 HG SER 2 HG SER 2 -22.338 3.404 2.845
14 H ASP 3 H ASP 3 -18.614 4.016 -1.057
15 HA ASP 3 HA ASP 3 -16.973 1.659 -0.860
16 HB2 ASP 3 HB2 ASP 3 -17.221 3.888 -2.865
17 HB3 ASP 3 HB3 ASP 3 -15.911 2.715 -2.971
18 H ALA 4 H ALA 4 -16.759 4.825 0.289
19 HA ALA 4 HA ALA 4 -14.090 5.501 0.069
20 HB1 ALA 4 HB1 ALA 4 -16.304 6.223 1.808
21 HB2 ALA 4 HB2 ALA 4 -14.741 6.324 2.618
22 HB3 ALA 4 HB3 ALA 4 -15.022 7.227 1.130
23 H VAL 5 H VAL 5 -15.638 3.479 2.549
24 HA VAL 5 HA VAL 5 -13.314 2.981 4.058
25 HB VAL 5 HB VAL 5 -15.578 2.553 4.918
26 HG11 VAL 5 HG11 VAL 5 -16.343 1.551 2.685
27 HG12 VAL 5 HG12 VAL 5 -15.651 0.041 3.279
28 HG13 VAL 5 HG13 VAL 5 -16.958 0.823 4.169
29 HG21 VAL 5 HG21 VAL 5 -13.791 1.487 6.078
30 HG22 VAL 5 HG22 VAL 5 -15.095 0.308 5.934
31 HG23 VAL 5 HG23 VAL 5 -13.691 0.204 4.871
32 H PHE 6 H PHE 6 -14.758 1.299 1.312
33 HA PHE 6 HA PHE 6 -13.094 -0.970 1.352
34 HB2 PHE 6 HB2 PHE 6 -14.676 0.372 -0.832
35 HB3 PHE 6 HB3 PHE 6 -13.714 -1.070 -1.139
36 HD1 PHE 6 HD1 PHE 6 -16.374 0.211 1.129
37 HD2 PHE 6 HD2 PHE 6 -14.667 -3.150 -0.847
38 HE1 PHE 6 HE1 PHE 6 -18.239 -1.191 1.910
39 HE2 PHE 6 HE2 PHE 6 -16.529 -4.557 -0.071
40 HZ PHE 6 HZ PHE 6 -18.319 -3.578 1.309
41 H THR 7 H THR 7 -12.882 1.984 -0.631
42 HA THR 7 HA THR 7 -10.390 1.323 -1.797
43 HB THR 7 HB THR 7 -11.915 2.963 -2.813
44 HG1 THR 7 HG1 THR 7 -9.259 3.627 -2.175
45 HG21 THR 7 HG21 THR 7 -12.307 5.109 -1.910
46 HG22 THR 7 HG22 THR 7 -11.053 4.910 -0.686
47 HG23 THR 7 HG23 THR 7 -12.552 3.988 -0.571
48 H ASP 8 H ASP 8 -11.294 3.191 1.055
49 HA ASP 8 HA ASP 8 -8.838 4.349 1.654
50 HB2 ASP 8 HB2 ASP 8 -10.498 5.159 3.020
51 HB3 ASP 8 HB3 ASP 8 -11.236 3.574 3.242
52 H ASN 9 H ASN 9 -10.035 1.105 2.302
53 HA ASN 9 HA ASN 9 -7.886 0.322 3.991
54 HB2 ASN 9 HB2 ASN 9 -10.044 -0.848 4.008
55 HB3 ASN 9 HB3 ASN 9 -9.779 -1.376 2.350
56 HD21 ASN 9 HD21 ASN 9 -10.125 -2.840 4.923
57 HD22 ASN 9 HD22 ASN 9 -8.772 -3.911 5.008
58 H TYR 10 H TYR 10 -8.524 -0.003 0.528
59 HA TYR 10 HA TYR 10 -6.265 -1.593 -0.068
60 HB2 TYR 10 HB2 TYR 10 -7.707 0.325 -1.908
61 HB3 TYR 10 HB3 TYR 10 -6.697 -1.033 -2.389
62 HD1 TYR 10 HD1 TYR 10 -7.725 -3.053 -0.387
63 HD2 TYR 10 HD2 TYR 10 -9.753 -0.293 -2.912
64 HE1 TYR 10 HE1 TYR 10 -9.698 -4.521 -0.397
65 HE2 TYR 10 HE2 TYR 10 -11.732 -1.753 -2.927
66 HH TYR 10 HH TYR 10 -11.710 -4.888 -2.066
67 H THR 11 H THR 11 -6.815 1.907 -0.159
68 HA THR 11 HA THR 11 -4.368 2.684 -1.250
69 HB THR 11 HB THR 11 -4.744 4.864 -0.062
70 HG1 THR 11 HG1 THR 11 -6.868 4.982 0.994
71 HG21 THR 11 HG21 THR 11 -5.928 5.322 -1.892
72 HG22 THR 11 HG22 THR 11 -7.365 4.656 -1.118
73 HG23 THR 11 HG23 THR 11 -6.321 3.614 -2.084
74 H ARG 12 H ARG 12 -5.289 2.175 2.140
75 HA ARG 12 HA ARG 12 -2.756 2.916 3.200
76 HB2 ARG 12 HB2 ARG 12 -5.121 1.427 4.316
77 HB3 ARG 12 HB3 ARG 12 -3.644 1.635 5.248
78 HG2 ARG 12 HG2 ARG 12 -3.913 4.127 4.826
79 HG3 ARG 12 HG3 ARG 12 -5.544 3.741 4.274
80 HD2 ARG 12 HD2 ARG 12 -6.114 2.815 6.409
81 HD3 ARG 12 HD3 ARG 12 -4.447 2.954 6.967
82 HE ARG 12 HE ARG 12 -5.491 5.484 6.210
83 HH11 ARG 12 HH12 ARG 12 -5.570 3.099 8.745
84 HH12 ARG 12 HH11 ARG 12 -5.947 4.244 9.990
85 HH21 ARG 12 HH22 ARG 12 -5.987 7.001 7.840
86 HH22 ARG 12 HH21 ARG 12 -6.185 6.464 9.473
87 H LEU 13 H LEU 13 -4.227 -0.154 2.273
88 HA LEU 13 HA LEU 13 -2.224 -1.846 3.301
89 HB2 LEU 13 HB2 LEU 13 -4.353 -2.746 2.694
90 HB3 LEU 13 HB3 LEU 13 -4.170 -2.193 1.030
91 HG LEU 13 HG LEU 13 -2.088 -3.820 1.088
92 HD11 LEU 13 HD11 LEU 13 -2.895 -5.884 2.407
93 HD12 LEU 13 HD12 LEU 13 -3.829 -4.723 3.350
94 HD13 LEU 13 HD13 LEU 13 -2.072 -4.589 3.277
95 HD21 LEU 13 HD21 LEU 13 -4.262 -3.869 -0.280
96 HD22 LEU 13 HD22 LEU 13 -4.814 -5.056 0.902
97 HD23 LEU 13 HD23 LEU 13 -3.377 -5.380 -0.069
98 H ARG 14 H ARG 14 -2.563 -0.169 0.222
99 HA ARG 14 HA ARG 14 -0.494 -1.426 -1.179
100 HB2 ARG 14 HB2 ARG 14 -2.305 0.370 -1.893
101 HB3 ARG 14 HB3 ARG 14 -0.989 1.490 -1.570
102 HG2 ARG 14 HG2 ARG 14 0.426 0.206 -3.150
103 HG3 ARG 14 HG3 ARG 14 -0.981 -0.788 -3.536
104 HD2 ARG 14 HD2 ARG 14 -1.232 2.171 -3.727
105 HD3 ARG 14 HD3 ARG 14 -0.338 1.321 -4.987
106 HE ARG 14 HE ARG 14 -2.659 -0.076 -4.779
107 HH11 ARG 14 HH12 ARG 14 -1.880 3.279 -5.289
108 HH12 ARG 14 HH11 ARG 14 -3.301 3.601 -6.227
109 HH21 ARG 14 HH22 ARG 14 -4.533 0.336 -6.013
110 HH22 ARG 14 HH21 ARG 14 -4.810 1.927 -6.637
111 H LYS 15 H LYS 15 -0.456 1.240 1.116
112 HA LYS 15 HA LYS 15 2.162 2.134 0.713
113 HB2 LYS 15 HB2 LYS 15 0.703 3.464 2.041
114 HB3 LYS 15 HB3 LYS 15 0.386 2.136 3.150
115 HG2 LYS 15 HG2 LYS 15 1.853 3.782 4.160
116 HG3 LYS 15 HG3 LYS 15 2.691 2.244 3.947
117 HD2 LYS 15 HD2 LYS 15 4.188 3.990 3.294
118 HD3 LYS 15 HD3 LYS 15 3.659 3.159 1.829
119 HE2 LYS 15 HE2 LYS 15 3.625 5.534 1.442
120 HE3 LYS 15 HE3 LYS 15 1.968 4.935 1.487
121 HZ1 LYS 15 HZ1 LYS 15 2.735 7.066 2.823
122 HZ2 LYS 15 HZ2 LYS 15 3.101 5.903 3.995
123 HZ3 LYS 15 HZ3 LYS 15 1.523 6.034 3.399
124 H GLN 16 H GLN 16 0.898 -0.475 2.729
125 HA GLN 16 HA GLN 16 3.307 -1.085 4.060
126 HB2 GLN 16 HB2 GLN 16 0.789 -2.625 3.506
127 HB3 GLN 16 HB3 GLN 16 2.161 -3.403 4.284
128 HG2 GLN 16 HG2 GLN 16 0.962 -0.864 5.335
129 HG3 GLN 16 HG3 GLN 16 0.349 -2.454 5.785
130 HE21 GLN 16 HE21 GLN 16 2.746 -0.093 6.299
131 HE22 GLN 16 HE22 GLN 16 3.673 -0.952 7.477
132 H MET 17 H MET 17 1.833 -2.417 1.117
133 HA MET 17 HA MET 17 3.907 -4.295 0.625
134 HB2 MET 17 HB2 MET 17 1.891 -3.096 -1.283
135 HB3 MET 17 HB3 MET 17 2.893 -4.502 -1.614
136 HG2 MET 17 HG2 MET 17 1.129 -4.513 0.783
137 HG3 MET 17 HG3 MET 17 0.423 -4.769 -0.811
138 HE1 MET 17 HE1 MET 17 1.837 -6.204 -2.520
139 HE2 MET 17 HE2 MET 17 2.284 -7.863 -2.120
140 HE3 MET 17 HE3 MET 17 0.594 -7.361 -2.044
141 H ALA 18 H ALA 18 3.323 -0.976 -0.386
142 HA ALA 18 HA ALA 18 5.459 -0.887 -2.278
143 HB1 ALA 18 HB1 ALA 18 3.313 0.724 -1.699
144 HB2 ALA 18 HB2 ALA 18 4.685 1.679 -1.134
145 HB3 ALA 18 HB3 ALA 18 4.630 1.119 -2.805
146 H VAL 19 H VAL 19 5.147 -0.224 1.147
147 HA VAL 19 HA VAL 19 7.525 1.218 1.535
148 HB VAL 19 HB VAL 19 5.727 -0.368 3.298
149 HG11 VAL 19 HG11 VAL 19 7.325 0.224 5.212
150 HG12 VAL 19 HG12 VAL 19 7.727 -1.170 4.208
151 HG13 VAL 19 HG13 VAL 19 8.560 0.366 3.962
152 HG21 VAL 19 HG21 VAL 19 4.990 1.672 3.768
153 HG22 VAL 19 HG22 VAL 19 6.585 2.129 4.365
154 HG23 VAL 19 HG23 VAL 19 6.183 2.354 2.662
155 H LYS 20 H LYS 20 6.864 -2.267 1.767
156 HA LYS 20 HA LYS 20 9.494 -3.018 2.475
157 HB2 LYS 20 HB2 LYS 20 7.072 -4.430 1.464
158 HB3 LYS 20 HB3 LYS 20 8.614 -5.270 1.360
159 HG2 LYS 20 HG2 LYS 20 8.805 -5.496 3.614
160 HG3 LYS 20 HG3 LYS 20 7.906 -4.015 3.951
161 HD2 LYS 20 HD2 LYS 20 6.584 -6.455 2.797
162 HD3 LYS 20 HD3 LYS 20 6.780 -6.233 4.537
163 HE2 LYS 20 HE2 LYS 20 5.721 -3.867 3.964
164 HE3 LYS 20 HE3 LYS 20 5.052 -4.775 2.609
165 HZ1 LYS 20 HZ1 LYS 20 4.271 -6.423 4.324
166 HZ2 LYS 20 HZ2 LYS 20 3.486 -4.925 4.333
167 HZ3 LYS 20 HZ3 LYS 20 4.660 -5.272 5.501
168 H LYS 21 H LYS 21 7.836 -2.750 -0.637
169 HA LYS 21 HA LYS 21 9.916 -3.828 -2.214
170 HB2 LYS 21 HB2 LYS 21 7.569 -2.044 -2.802
171 HB3 LYS 21 HB3 LYS 21 8.743 -2.430 -4.054
172 HG2 LYS 21 HG2 LYS 21 7.331 -4.556 -2.475
173 HG3 LYS 21 HG3 LYS 21 6.655 -3.861 -3.950
174 HD2 LYS 21 HD2 LYS 21 9.423 -5.032 -3.850
175 HD3 LYS 21 HD3 LYS 21 7.996 -6.015 -4.192
176 HE2 LYS 21 HE2 LYS 21 8.719 -3.536 -5.743
177 HE3 LYS 21 HE3 LYS 21 9.236 -5.156 -6.208
178 HZ1 LYS 21 HZ1 LYS 21 6.607 -3.928 -6.378
179 HZ2 LYS 21 HZ2 LYS 21 6.633 -5.554 -5.917
180 HZ3 LYS 21 HZ3 LYS 21 7.331 -5.080 -7.383
181 H TYR 22 H TYR 22 9.165 -0.541 -1.166
182 HA TYR 22 HA TYR 22 11.139 0.752 -2.728
183 HB2 TYR 22 HB2 TYR 22 9.648 1.546 -0.232
184 HB3 TYR 22 HB3 TYR 22 10.846 2.599 -0.977
185 HD1 TYR 22 HD2 TYR 22 10.396 2.450 -3.783
186 HD2 TYR 22 HD1 TYR 22 7.523 2.337 -0.647
187 HE1 TYR 22 HE2 TYR 22 8.686 3.310 -5.327
188 HE2 TYR 22 HE1 TYR 22 5.805 3.196 -2.182
189 HH TYR 22 HH TYR 22 6.375 3.485 -5.601
190 H LEU 23 H LEU 23 11.101 -0.132 0.726
191 HA LEU 23 HA LEU 23 13.713 0.661 1.314
192 HB2 LEU 23 HB2 LEU 23 13.548 -0.837 3.247
193 HB3 LEU 23 HB3 LEU 23 12.113 0.168 3.048
194 HG LEU 23 HG LEU 23 11.105 -1.905 1.878
195 HD11 LEU 23 HD11 LEU 23 13.657 -2.899 2.382
196 HD12 LEU 23 HD12 LEU 23 12.245 -3.809 1.846
197 HD13 LEU 23 HD13 LEU 23 12.614 -3.688 3.566
198 HD21 LEU 23 HD21 LEU 23 9.980 -1.540 3.789
199 HD22 LEU 23 HD22 LEU 23 11.449 -1.265 4.725
200 HD23 LEU 23 HD23 LEU 23 10.914 -2.912 4.386
201 H ASN 24 H ASN 24 12.462 -2.348 -0.013
202 HA ASN 24 HA ASN 24 14.865 -3.832 0.199
203 HB2 ASN 24 HB2 ASN 24 12.715 -4.940 -0.113
204 HB3 ASN 24 HB3 ASN 24 12.520 -4.168 -1.684
205 HD21 ASN 24 HD21 ASN 24 13.711 -4.897 -3.430
206 HD22 ASN 24 HD22 ASN 24 14.554 -6.405 -3.410
207 H SER 25 H SER 25 13.553 -1.687 -2.255
208 HA SER 25 HA SER 25 15.459 -2.311 -4.270
209 HB2 SER 25 HB2 SER 25 13.782 0.184 -3.905
210 HB3 SER 25 HB3 SER 25 14.648 -0.263 -5.375
211 HG SER 25 HG SER 25 12.306 -1.302 -4.297
212 H ILE 26 H ILE 26 15.223 0.303 -1.879
213 HA ILE 26 HA ILE 26 17.625 1.594 -2.663
214 HB ILE 26 HB ILE 26 15.932 1.741 -0.185
215 HG12 ILE 26 HG12 ILE 26 15.211 3.795 -1.025
216 HG13 ILE 26 HG13 ILE 26 16.639 3.996 -2.034
217 HG21 ILE 26 HG21 ILE 26 18.620 2.970 -0.679
218 HG22 ILE 26 HG22 ILE 26 17.439 3.747 0.374
219 HG23 ILE 26 HG23 ILE 26 18.029 2.129 0.754
220 HD11 ILE 26 HD11 ILE 26 14.514 1.932 -2.539
221 HD12 ILE 26 HD12 ILE 26 14.536 3.534 -3.277
222 HD13 ILE 26 HD13 ILE 26 15.841 2.395 -3.603
223 H LEU 27 H LEU 27 16.883 -1.003 -0.444
224 HA LEU 27 HA LEU 27 19.484 -0.984 0.796
225 HB2 LEU 27 HB2 LEU 27 17.258 -3.016 0.879
226 HB3 LEU 27 HB3 LEU 27 18.719 -3.076 1.863
227 HG LEU 27 HG LEU 27 16.966 -0.669 2.036
228 HD11 LEU 27 HD11 LEU 27 16.403 -3.010 3.793
229 HD12 LEU 27 HD12 LEU 27 15.648 -2.923 2.202
230 HD13 LEU 27 HD13 LEU 27 15.376 -1.637 3.378
231 HD21 LEU 27 HD21 LEU 27 18.177 -0.234 3.861
232 HD22 LEU 27 HD22 LEU 27 19.289 -1.466 3.264
233 HD23 LEU 27 HD23 LEU 27 18.052 -1.893 4.448
234 H ASN 28 H ASN 28 17.802 -2.934 -1.632
235 HA ASN 28 HA ASN 28 20.112 -4.630 -2.039
236 HB2 ASN 28 HB2 ASN 28 18.740 -5.982 -3.298
237 HB3 ASN 28 HB3 ASN 28 17.535 -5.194 -2.284
238 HD21 ASN 28 HD21 ASN 28 15.807 -4.669 -3.388
239 HD22 ASN 28 HD22 ASN 28 15.769 -4.082 -5.013
240 H GLY 29 H GLY 29 18.847 -1.702 -3.312
241 HA2 GLY 29 HA2 GLY 29 19.563 -1.550 -5.912
242 HA3 GLY 29 HA3 GLY 29 19.844 -0.227 -4.791
Start of MODEL 6
1 H1 HIS 1 H HIS 1 -19.408 -4.758 -3.429
2 HA HIS 1 HA HIS 1 -20.079 -2.225 -3.992
3 HB2 HIS 1 HB2 HIS 1 -19.630 -3.629 -1.406
4 HB3 HIS 1 HB3 HIS 1 -19.867 -1.884 -1.350
5 HD1 HIS 1 HD1 HIS 1 -21.890 -4.052 -0.231
6 HD2 HIS 1 HD2 HIS 1 -22.210 -2.040 -3.852
7 HE1 HIS 1 HE1 HIS 1 -24.333 -4.119 -0.824
8 HE2 HIS 1 HE2 HIS 1 -24.490 -2.971 -3.060
9 H SER 2 H SER 2 -18.813 -0.659 -4.759
10 HA SER 2 HA SER 2 -16.159 -0.242 -3.605
11 HB2 SER 2 HB2 SER 2 -17.499 0.567 -6.154
12 HB3 SER 2 HB3 SER 2 -16.156 1.542 -5.557
13 HG SER 2 HG SER 2 -15.885 -1.249 -5.687
14 H ASP 3 H ASP 3 -16.292 0.908 -1.767
15 HA ASP 3 HA ASP 3 -17.727 3.479 -1.884
16 HB2 ASP 3 HB2 ASP 3 -18.598 1.541 -0.319
17 HB3 ASP 3 HB3 ASP 3 -17.294 2.092 0.729
18 H ALA 4 H ALA 4 -16.887 4.981 -0.061
19 HA ALA 4 HA ALA 4 -14.189 5.561 -0.600
20 HB1 ALA 4 HB1 ALA 4 -14.462 7.137 1.402
21 HB2 ALA 4 HB2 ALA 4 -15.511 7.388 0.007
22 HB3 ALA 4 HB3 ALA 4 -16.134 6.577 1.444
23 H VAL 5 H VAL 5 -15.753 3.943 2.125
24 HA VAL 5 HA VAL 5 -13.439 3.739 3.746
25 HB VAL 5 HB VAL 5 -15.597 3.478 4.766
26 HG11 VAL 5 HG11 VAL 5 -17.275 2.241 3.954
27 HG12 VAL 5 HG12 VAL 5 -16.294 2.110 2.493
28 HG13 VAL 5 HG13 VAL 5 -16.239 0.835 3.710
29 HG21 VAL 5 HG21 VAL 5 -13.966 2.314 5.980
30 HG22 VAL 5 HG22 VAL 5 -15.296 1.167 5.823
31 HG23 VAL 5 HG23 VAL 5 -13.877 1.017 4.788
32 H PHE 6 H PHE 6 -14.870 1.643 1.297
33 HA PHE 6 HA PHE 6 -13.228 -0.603 1.735
34 HB2 PHE 6 HB2 PHE 6 -14.890 0.368 -0.561
35 HB3 PHE 6 HB3 PHE 6 -13.813 -1.006 -0.790
36 HD1 PHE 6 HD1 PHE 6 -16.541 0.231 1.412
37 HD2 PHE 6 HD2 PHE 6 -14.521 -3.137 -0.229
38 HE1 PHE 6 HE1 PHE 6 -18.244 -1.257 2.380
39 HE2 PHE 6 HE2 PHE 6 -16.222 -4.631 0.735
40 HZ PHE 6 HZ PHE 6 -18.087 -3.691 2.040
41 H THR 7 H THR 7 -12.984 1.970 -0.719
42 HA THR 7 HA THR 7 -10.507 1.114 -1.763
43 HB THR 7 HB THR 7 -12.009 2.623 -2.997
44 HG1 THR 7 HG1 THR 7 -9.486 2.651 -3.045
45 HG21 THR 7 HG21 THR 7 -12.526 4.770 -2.358
46 HG22 THR 7 HG22 THR 7 -11.068 4.947 -1.382
47 HG23 THR 7 HG23 THR 7 -12.420 3.989 -0.781
48 H ASP 8 H ASP 8 -11.357 3.385 0.797
49 HA ASP 8 HA ASP 8 -8.857 4.550 1.210
50 HB2 ASP 8 HB2 ASP 8 -10.540 5.611 2.388
51 HB3 ASP 8 HB3 ASP 8 -11.262 4.096 2.926
52 H ASN 9 H ASN 9 -10.228 1.558 2.505
53 HA ASN 9 HA ASN 9 -8.061 0.968 4.237
54 HB2 ASN 9 HB2 ASN 9 -9.184 -0.979 4.736
55 HB3 ASN 9 HB3 ASN 9 -10.511 -0.020 4.088
56 HD21 ASN 9 HD21 ASN 9 -11.773 -1.156 2.824
57 HD22 ASN 9 HD22 ASN 9 -11.278 -2.405 1.737
58 H TYR 10 H TYR 10 -8.847 0.008 0.923
59 HA TYR 10 HA TYR 10 -6.707 -1.798 0.583
60 HB2 TYR 10 HB2 TYR 10 -8.115 -0.162 -1.536
61 HB3 TYR 10 HB3 TYR 10 -7.169 -1.622 -1.804
62 HD1 TYR 10 HD1 TYR 10 -8.168 -3.289 0.467
63 HD2 TYR 10 HD2 TYR 10 -10.245 -0.798 -2.287
64 HE1 TYR 10 HE1 TYR 10 -10.190 -4.658 0.764
65 HE2 TYR 10 HE2 TYR 10 -12.273 -2.159 -1.997
66 HH TYR 10 HH TYR 10 -12.667 -4.362 0.501
67 H THR 11 H THR 11 -7.028 1.663 -0.069
68 HA THR 11 HA THR 11 -4.587 2.065 -1.372
69 HB THR 11 HB THR 11 -5.991 4.031 0.446
70 HG1 THR 11 HG1 THR 11 -7.190 2.997 -1.422
71 HG21 THR 11 HG21 THR 11 -4.469 5.530 -0.191
72 HG22 THR 11 HG22 THR 11 -4.723 5.135 -1.891
73 HG23 THR 11 HG23 THR 11 -3.559 4.217 -0.936
74 H ARG 12 H ARG 12 -5.396 2.276 2.082
75 HA ARG 12 HA ARG 12 -2.822 3.029 2.954
76 HB2 ARG 12 HB2 ARG 12 -5.225 1.834 4.284
77 HB3 ARG 12 HB3 ARG 12 -3.707 1.941 5.166
78 HG2 ARG 12 HG2 ARG 12 -3.698 4.285 5.085
79 HG3 ARG 12 HG3 ARG 12 -4.937 4.327 3.829
80 HD2 ARG 12 HD2 ARG 12 -6.177 4.861 5.689
81 HD3 ARG 12 HD3 ARG 12 -6.385 3.111 5.635
82 HE ARG 12 HE ARG 12 -4.925 4.636 7.611
83 HH11 ARG 12 HH12 ARG 12 -5.503 1.511 6.188
84 HH12 ARG 12 HH11 ARG 12 -4.933 0.632 7.568
85 HH21 ARG 12 HH22 ARG 12 -4.171 3.490 9.434
86 HH22 ARG 12 HH21 ARG 12 -4.176 1.759 9.414
87 H LEU 13 H LEU 13 -4.390 -0.134 2.643
88 HA LEU 13 HA LEU 13 -2.348 -1.681 3.775
89 HB2 LEU 13 HB2 LEU 13 -4.554 -2.576 3.374
90 HB3 LEU 13 HB3 LEU 13 -4.355 -2.369 1.635
91 HG LEU 13 HG LEU 13 -2.356 -4.022 1.960
92 HD11 LEU 13 HD11 LEU 13 -3.585 -5.619 3.865
93 HD12 LEU 13 HD12 LEU 13 -3.593 -4.004 4.572
94 HD13 LEU 13 HD13 LEU 13 -2.073 -4.729 4.047
95 HD21 LEU 13 HD21 LEU 13 -4.320 -4.491 0.617
96 HD22 LEU 13 HD22 LEU 13 -5.244 -4.887 2.067
97 HD23 LEU 13 HD23 LEU 13 -3.888 -5.905 1.579
98 H ARG 14 H ARG 14 -2.807 -0.460 0.507
99 HA ARG 14 HA ARG 14 -0.820 -1.956 -0.784
100 HB2 ARG 14 HB2 ARG 14 -2.636 -0.358 -1.747
101 HB3 ARG 14 HB3 ARG 14 -1.412 0.888 -1.536
102 HG2 ARG 14 HG2 ARG 14 0.068 -0.886 -2.844
103 HG3 ARG 14 HG3 ARG 14 -1.518 -1.368 -3.449
104 HD2 ARG 14 HD2 ARG 14 -0.805 0.225 -4.991
105 HD3 ARG 14 HD3 ARG 14 -1.870 1.133 -3.919
106 HE ARG 14 HE ARG 14 0.510 1.561 -2.789
107 HH11 ARG 14 HH12 ARG 14 -0.518 1.739 -6.110
108 HH12 ARG 14 HH11 ARG 14 0.623 2.973 -6.533
109 HH21 ARG 14 HH22 ARG 14 2.017 3.184 -3.334
110 HH22 ARG 14 HH21 ARG 14 2.065 3.793 -4.954
111 H LYS 15 H LYS 15 -0.656 1.025 1.076
112 HA LYS 15 HA LYS 15 1.929 1.840 0.425
113 HB2 LYS 15 HB2 LYS 15 0.222 3.115 1.778
114 HB3 LYS 15 HB3 LYS 15 0.653 2.102 3.150
115 HG2 LYS 15 HG2 LYS 15 1.973 3.920 3.540
116 HG3 LYS 15 HG3 LYS 15 3.080 2.923 2.593
117 HD2 LYS 15 HD2 LYS 15 1.293 4.898 1.229
118 HD3 LYS 15 HD3 LYS 15 2.786 5.439 2.000
119 HE2 LYS 15 HE2 LYS 15 3.798 3.413 0.635
120 HE3 LYS 15 HE3 LYS 15 2.389 3.703 -0.384
121 HZ1 LYS 15 HZ1 LYS 15 3.173 6.131 -0.322
122 HZ2 LYS 15 HZ2 LYS 15 4.006 5.043 -1.313
123 HZ3 LYS 15 HZ3 LYS 15 4.659 5.497 0.180
124 H GLN 16 H GLN 16 0.813 -0.428 2.907
125 HA GLN 16 HA GLN 16 3.297 -0.888 4.127
126 HB2 GLN 16 HB2 GLN 16 0.746 -2.450 3.942
127 HB3 GLN 16 HB3 GLN 16 2.166 -3.176 4.681
128 HG2 GLN 16 HG2 GLN 16 0.588 -2.110 6.281
129 HG3 GLN 16 HG3 GLN 16 2.244 -1.511 6.370
130 HE21 GLN 16 HE21 GLN 16 2.710 0.528 5.340
131 HE22 GLN 16 HE22 GLN 16 1.472 1.727 5.219
132 H MET 17 H MET 17 1.662 -2.599 1.479
133 HA MET 17 HA MET 17 3.726 -4.516 1.112
134 HB2 MET 17 HB2 MET 17 1.607 -3.598 -0.840
135 HB3 MET 17 HB3 MET 17 2.574 -5.060 -0.982
136 HG2 MET 17 HG2 MET 17 1.545 -5.554 1.394
137 HG3 MET 17 HG3 MET 17 0.294 -4.456 0.817
138 HE1 MET 17 HE1 MET 17 0.580 -7.471 1.730
139 HE2 MET 17 HE2 MET 17 -1.104 -7.470 1.207
140 HE3 MET 17 HE3 MET 17 0.028 -8.646 0.536
141 H ALA 18 H ALA 18 3.046 -1.357 -0.273
142 HA ALA 18 HA ALA 18 5.048 -1.510 -2.304
143 HB1 ALA 18 HB1 ALA 18 4.516 1.196 -1.683
144 HB2 ALA 18 HB2 ALA 18 3.914 0.246 -3.042
145 HB3 ALA 18 HB3 ALA 18 2.998 0.310 -1.537
146 H VAL 19 H VAL 19 5.016 -0.624 1.050
147 HA VAL 19 HA VAL 19 7.319 0.979 1.154
148 HB VAL 19 HB VAL 19 5.797 -0.633 3.137
149 HG11 VAL 19 HG11 VAL 19 7.505 0.064 4.881
150 HG12 VAL 19 HG12 VAL 19 7.956 -1.280 3.830
151 HG13 VAL 19 HG13 VAL 19 8.617 0.329 3.538
152 HG21 VAL 19 HG21 VAL 19 6.362 2.181 2.522
153 HG22 VAL 19 HG22 VAL 19 4.929 1.440 3.235
154 HG23 VAL 19 HG23 VAL 19 6.334 1.791 4.242
155 H LYS 20 H LYS 20 6.912 -2.527 1.545
156 HA LYS 20 HA LYS 20 9.553 -3.180 2.141
157 HB2 LYS 20 HB2 LYS 20 7.291 -4.672 0.861
158 HB3 LYS 20 HB3 LYS 20 8.887 -5.407 0.936
159 HG2 LYS 20 HG2 LYS 20 8.805 -5.696 3.187
160 HG3 LYS 20 HG3 LYS 20 7.788 -4.276 3.444
161 HD2 LYS 20 HD2 LYS 20 6.777 -6.772 2.102
162 HD3 LYS 20 HD3 LYS 20 6.709 -6.540 3.851
163 HE2 LYS 20 HE2 LYS 20 5.642 -4.379 2.112
164 HE3 LYS 20 HE3 LYS 20 4.699 -5.861 2.258
165 HZ1 LYS 20 HZ1 LYS 20 4.381 -5.536 4.510
166 HZ2 LYS 20 HZ2 LYS 20 4.278 -3.959 3.908
167 HZ3 LYS 20 HZ3 LYS 20 5.696 -4.483 4.666
168 H LYS 21 H LYS 21 7.946 -2.914 -1.011
169 HA LYS 21 HA LYS 21 10.058 -3.741 -2.626
170 HB2 LYS 21 HB2 LYS 21 7.709 -1.931 -3.048
171 HB3 LYS 21 HB3 LYS 21 8.933 -2.066 -4.304
172 HG2 LYS 21 HG2 LYS 21 7.670 -4.516 -3.145
173 HG3 LYS 21 HG3 LYS 21 6.854 -3.586 -4.404
174 HD2 LYS 21 HD2 LYS 21 8.648 -3.934 -5.932
175 HD3 LYS 21 HD3 LYS 21 9.678 -4.606 -4.666
176 HE2 LYS 21 HE2 LYS 21 8.959 -6.523 -5.704
177 HE3 LYS 21 HE3 LYS 21 7.740 -6.353 -4.442
178 HZ1 LYS 21 HZ1 LYS 21 6.695 -4.922 -6.478
179 HZ2 LYS 21 HZ2 LYS 21 6.294 -6.524 -6.114
180 HZ3 LYS 21 HZ3 LYS 21 7.454 -6.191 -7.300
181 H TYR 22 H TYR 22 9.394 -0.612 -1.165
182 HA TYR 22 HA TYR 22 11.353 0.856 -2.583
183 HB2 TYR 22 HB2 TYR 22 9.826 1.289 -0.042
184 HB3 TYR 22 HB3 TYR 22 11.161 2.361 -0.447
185 HD1 TYR 22 HD1 TYR 22 8.514 0.792 -2.565
186 HD2 TYR 22 HD2 TYR 22 10.271 4.388 -1.120
187 HE1 TYR 22 HE1 TYR 22 7.016 2.099 -4.014
188 HE2 TYR 22 HE2 TYR 22 8.777 5.704 -2.564
189 HH TYR 22 HH TYR 22 6.946 5.625 -3.879
190 H LEU 23 H LEU 23 11.396 -0.737 0.590
191 HA LEU 23 HA LEU 23 14.006 -0.005 1.312
192 HB2 LEU 23 HB2 LEU 23 12.702 -2.593 2.097
193 HB3 LEU 23 HB3 LEU 23 13.860 -1.630 3.013
194 HG LEU 23 HG LEU 23 10.930 -1.120 2.579
195 HD11 LEU 23 HD11 LEU 23 12.686 -1.897 4.819
196 HD12 LEU 23 HD12 LEU 23 10.999 -2.301 4.500
197 HD13 LEU 23 HD13 LEU 23 11.415 -0.731 5.188
198 HD21 LEU 23 HD21 LEU 23 13.079 0.818 2.913
199 HD22 LEU 23 HD22 LEU 23 11.841 0.933 4.164
200 HD23 LEU 23 HD23 LEU 23 11.392 1.062 2.462
201 H ASN 24 H ASN 24 12.773 -2.617 -0.672
202 HA ASN 24 HA ASN 24 15.103 -4.193 -0.771
203 HB2 ASN 24 HB2 ASN 24 12.757 -4.818 -1.553
204 HB3 ASN 24 HB3 ASN 24 13.112 -3.914 -3.022
205 HD21 ASN 24 HD21 ASN 24 14.692 -4.683 -4.440
206 HD22 ASN 24 HD22 ASN 24 15.230 -6.325 -4.395
207 H SER 25 H SER 25 13.985 -1.503 -2.781
208 HA SER 25 HA SER 25 16.129 -1.641 -4.640
209 HB2 SER 25 HB2 SER 25 14.165 -0.528 -5.374
210 HB3 SER 25 HB3 SER 25 14.134 0.516 -3.953
211 HG SER 25 HG SER 25 16.343 0.589 -5.686
212 H ILE 26 H ILE 26 15.480 0.537 -1.898
213 HA ILE 26 HA ILE 26 17.888 1.974 -2.064
214 HB ILE 26 HB ILE 26 15.975 1.495 0.206
215 HG12 ILE 26 HG12 ILE 26 15.176 3.636 -0.249
216 HG13 ILE 26 HG13 ILE 26 16.670 4.135 -1.034
217 HG21 ILE 26 HG21 ILE 26 18.659 2.772 0.257
218 HG22 ILE 26 HG22 ILE 26 17.363 3.506 1.200
219 HG23 ILE 26 HG23 ILE 26 17.830 1.832 1.498
220 HD11 ILE 26 HD11 ILE 26 14.910 3.924 -2.660
221 HD12 ILE 26 HD12 ILE 26 16.124 2.674 -2.935
222 HD13 ILE 26 HD13 ILE 26 14.597 2.264 -2.152
223 H LEU 27 H LEU 27 16.990 -0.720 0.092
224 HA LEU 27 HA LEU 27 19.503 -0.985 1.313
225 HB2 LEU 27 HB2 LEU 27 17.410 -3.105 0.850
226 HB3 LEU 27 HB3 LEU 27 18.737 -3.198 2.007
227 HG LEU 27 HG LEU 27 16.649 -1.046 2.179
228 HD11 LEU 27 HD11 LEU 27 15.532 -2.496 3.868
229 HD12 LEU 27 HD12 LEU 27 16.540 -3.833 3.315
230 HD13 LEU 27 HD13 LEU 27 15.392 -3.079 2.209
231 HD21 LEU 27 HD21 LEU 27 18.486 -0.543 3.536
232 HD22 LEU 27 HD22 LEU 27 18.704 -2.225 4.022
233 HD23 LEU 27 HD23 LEU 27 17.330 -1.301 4.631
234 H ASN 28 H ASN 28 18.154 -2.412 -1.611
235 HA ASN 28 HA ASN 28 20.058 -4.358 -2.136
236 HB2 ASN 28 HB2 ASN 28 18.196 -4.382 -3.551
237 HB3 ASN 28 HB3 ASN 28 18.327 -2.663 -3.910
238 HD21 ASN 28 HD21 ASN 28 19.958 -5.759 -4.371
239 HD22 ASN 28 HD22 ASN 28 20.643 -5.370 -5.909
240 H GLY 29 H GLY 29 20.191 -0.885 -2.643
241 HA2 GLY 29 HA2 GLY 29 22.843 -1.149 -3.879
242 HA3 GLY 29 HA3 GLY 29 21.849 0.300 -3.883
Start of MODEL 7
1 H1 HIS 1 H HIS 1 -24.037 3.687 -2.048
2 HA HIS 1 HA HIS 1 -23.005 2.590 0.442
3 HB2 HIS 1 HB2 HIS 1 -21.732 0.828 -0.914
4 HB3 HIS 1 HB3 HIS 1 -23.443 0.532 -0.622
5 HD1 HIS 1 HD1 HIS 1 -25.047 0.748 -2.666
6 HD2 HIS 1 HD2 HIS 1 -21.017 1.185 -3.576
7 HE1 HIS 1 HE1 HIS 1 -24.899 0.561 -5.169
8 HE2 HIS 1 HE2 HIS 1 -22.442 0.744 -5.690
9 H SER 2 H SER 2 -21.199 3.627 0.945
10 HA SER 2 HA SER 2 -19.904 5.318 -1.001
11 HB2 SER 2 HB2 SER 2 -19.706 4.914 1.951
12 HB3 SER 2 HB3 SER 2 -18.342 5.659 1.118
13 HG SER 2 HG SER 2 -20.090 7.062 0.166
14 H ASP 3 H ASP 3 -17.954 5.033 -1.948
15 HA ASP 3 HA ASP 3 -16.715 2.400 -1.632
16 HB2 ASP 3 HB2 ASP 3 -17.170 2.825 -3.902
17 HB3 ASP 3 HB3 ASP 3 -16.615 4.493 -3.792
18 H ALA 4 H ALA 4 -16.256 5.642 -0.748
19 HA ALA 4 HA ALA 4 -13.545 6.066 -0.814
20 HB1 ALA 4 HB1 ALA 4 -15.777 7.070 0.746
21 HB2 ALA 4 HB2 ALA 4 -14.263 7.081 1.651
22 HB3 ALA 4 HB3 ALA 4 -14.372 7.921 0.103
23 H VAL 5 H VAL 5 -15.363 4.434 1.780
24 HA VAL 5 HA VAL 5 -13.138 3.794 3.371
25 HB VAL 5 HB VAL 5 -15.297 3.661 4.366
26 HG11 VAL 5 HG11 VAL 5 -16.329 1.300 3.032
27 HG12 VAL 5 HG12 VAL 5 -17.116 2.844 3.367
28 HG13 VAL 5 HG13 VAL 5 -16.119 2.655 1.924
29 HG21 VAL 5 HG21 VAL 5 -15.336 1.275 5.181
30 HG22 VAL 5 HG22 VAL 5 -14.024 0.950 4.048
31 HG23 VAL 5 HG23 VAL 5 -13.794 2.113 5.354
32 H PHE 6 H PHE 6 -14.712 2.069 0.727
33 HA PHE 6 HA PHE 6 -13.380 -0.381 0.984
34 HB2 PHE 6 HB2 PHE 6 -14.751 1.039 -1.262
35 HB3 PHE 6 HB3 PHE 6 -13.797 -0.396 -1.624
36 HD1 PHE 6 HD1 PHE 6 -16.370 0.714 0.842
37 HD2 PHE 6 HD2 PHE 6 -14.905 -2.399 -1.663
38 HE1 PHE 6 HE1 PHE 6 -18.268 -0.706 1.502
39 HE2 PHE 6 HE2 PHE 6 -16.801 -3.824 -1.007
40 HZ PHE 6 HZ PHE 6 -18.486 -2.977 0.576
41 H THR 7 H THR 7 -12.612 2.372 -1.147
42 HA THR 7 HA THR 7 -10.167 1.281 -2.072
43 HB THR 7 HB THR 7 -11.409 3.040 -3.295
44 HG1 THR 7 HG1 THR 7 -8.715 3.552 -2.542
45 HG21 THR 7 HG21 THR 7 -10.387 4.869 -1.118
46 HG22 THR 7 HG22 THR 7 -12.071 4.405 -1.364
47 HG23 THR 7 HG23 THR 7 -11.235 5.369 -2.581
48 H ASP 8 H ASP 8 -10.995 3.473 0.563
49 HA ASP 8 HA ASP 8 -8.453 4.349 1.268
50 HB2 ASP 8 HB2 ASP 8 -11.038 4.022 2.703
51 HB3 ASP 8 HB3 ASP 8 -9.595 4.259 3.685
52 H ASN 9 H ASN 9 -10.194 1.437 2.312
53 HA ASN 9 HA ASN 9 -8.267 0.495 4.118
54 HB2 ASN 9 HB2 ASN 9 -10.523 -0.738 2.601
55 HB3 ASN 9 HB3 ASN 9 -9.357 -1.809 3.373
56 HD21 ASN 9 HD21 ASN 9 -9.641 -2.274 5.439
57 HD22 ASN 9 HD22 ASN 9 -10.699 -1.442 6.523
58 H TYR 10 H TYR 10 -8.625 0.041 0.638
59 HA TYR 10 HA TYR 10 -6.508 -1.858 0.405
60 HB2 TYR 10 HB2 TYR 10 -7.632 -0.087 -1.771
61 HB3 TYR 10 HB3 TYR 10 -6.776 -1.611 -1.975
62 HD1 TYR 10 HD1 TYR 10 -8.137 -3.232 0.140
63 HD2 TYR 10 HD2 TYR 10 -9.708 -0.547 -2.763
64 HE1 TYR 10 HE1 TYR 10 -10.277 -4.443 0.186
65 HE2 TYR 10 HE2 TYR 10 -11.853 -1.750 -2.725
66 HH TYR 10 HH TYR 10 -12.767 -3.803 -0.361
67 H THR 11 H THR 11 -6.754 1.639 0.119
68 HA THR 11 HA THR 11 -4.212 2.124 -0.988
69 HB THR 11 HB THR 11 -5.797 3.938 0.841
70 HG1 THR 11 HG1 THR 11 -6.756 3.084 -1.251
71 HG21 THR 11 HG21 THR 11 -4.307 5.564 0.422
72 HG22 THR 11 HG22 THR 11 -4.167 5.118 -1.279
73 HG23 THR 11 HG23 THR 11 -3.224 4.260 -0.061
74 H ARG 12 H ARG 12 -5.322 2.080 2.389
75 HA ARG 12 HA ARG 12 -2.876 2.766 3.572
76 HB2 ARG 12 HB2 ARG 12 -3.809 1.765 5.629
77 HB3 ARG 12 HB3 ARG 12 -4.953 2.831 4.824
78 HG2 ARG 12 HG2 ARG 12 -6.188 0.975 3.968
79 HG3 ARG 12 HG3 ARG 12 -4.962 -0.162 4.532
80 HD2 ARG 12 HD2 ARG 12 -6.454 -0.370 6.239
81 HD3 ARG 12 HD3 ARG 12 -5.511 0.985 6.858
82 HE ARG 12 HE ARG 12 -7.491 2.173 5.427
83 HH11 ARG 12 HH12 ARG 12 -7.426 -0.175 7.998
84 HH12 ARG 12 HH11 ARG 12 -8.950 0.314 8.660
85 HH21 ARG 12 HH22 ARG 12 -9.500 2.826 6.289
86 HH22 ARG 12 HH21 ARG 12 -10.130 2.021 7.687
87 H LEU 13 H LEU 13 -4.262 -0.402 2.785
88 HA LEU 13 HA LEU 13 -2.148 -1.930 3.882
89 HB2 LEU 13 HB2 LEU 13 -4.327 -2.894 3.454
90 HB3 LEU 13 HB3 LEU 13 -4.147 -2.598 1.727
91 HG LEU 13 HG LEU 13 -2.096 -4.176 1.923
92 HD11 LEU 13 HD11 LEU 13 -3.359 -4.419 4.566
93 HD12 LEU 13 HD12 LEU 13 -1.703 -4.748 4.060
94 HD13 LEU 13 HD13 LEU 13 -2.967 -5.943 3.769
95 HD21 LEU 13 HD21 LEU 13 -4.947 -5.139 2.109
96 HD22 LEU 13 HD22 LEU 13 -3.582 -6.138 1.610
97 HD23 LEU 13 HD23 LEU 13 -4.052 -4.739 0.643
98 H ARG 14 H ARG 14 -2.721 -0.537 0.703
99 HA ARG 14 HA ARG 14 -0.712 -1.857 -0.725
100 HB2 ARG 14 HB2 ARG 14 -2.595 -0.208 -1.502
101 HB3 ARG 14 HB3 ARG 14 -1.354 1.017 -1.267
102 HG2 ARG 14 HG2 ARG 14 -1.306 0.404 -3.551
103 HG3 ARG 14 HG3 ARG 14 0.118 -0.316 -2.797
104 HD2 ARG 14 HD2 ARG 14 -0.632 -2.117 -3.978
105 HD3 ARG 14 HD3 ARG 14 -1.528 -2.359 -2.479
106 HE ARG 14 HE ARG 14 -3.194 -0.840 -3.996
107 HH11 ARG 14 HH12 ARG 14 -1.527 -3.856 -4.492
108 HH12 ARG 14 HH11 ARG 14 -2.734 -4.498 -5.557
109 HH21 ARG 14 HH22 ARG 14 -4.790 -1.675 -5.396
110 HH22 ARG 14 HH21 ARG 14 -4.589 -3.256 -6.071
111 H LYS 15 H LYS 15 -0.591 0.976 1.357
112 HA LYS 15 HA LYS 15 1.990 1.862 0.718
113 HB2 LYS 15 HB2 LYS 15 0.548 3.284 1.992
114 HB3 LYS 15 HB3 LYS 15 0.373 2.075 3.257
115 HG2 LYS 15 HG2 LYS 15 1.880 3.438 4.261
116 HG3 LYS 15 HG3 LYS 15 2.997 2.374 3.403
117 HD2 LYS 15 HD2 LYS 15 2.000 4.790 1.985
118 HD3 LYS 15 HD3 LYS 15 3.192 5.015 3.267
119 HE2 LYS 15 HE2 LYS 15 4.793 3.709 2.155
120 HE3 LYS 15 HE3 LYS 15 3.592 3.004 1.074
121 HZ1 LYS 15 HZ1 LYS 15 3.719 4.731 -0.322
122 HZ2 LYS 15 HZ2 LYS 15 5.205 5.043 0.424
123 HZ3 LYS 15 HZ3 LYS 15 3.820 5.881 0.915
124 H GLN 16 H GLN 16 0.877 -0.431 3.189
125 HA GLN 16 HA GLN 16 3.368 -0.926 4.371
126 HB2 GLN 16 HB2 GLN 16 0.796 -2.446 4.205
127 HB3 GLN 16 HB3 GLN 16 2.216 -3.226 4.887
128 HG2 GLN 16 HG2 GLN 16 0.735 -2.193 6.573
129 HG3 GLN 16 HG3 GLN 16 2.385 -1.574 6.602
130 HE21 GLN 16 HE21 GLN 16 2.791 0.505 5.706
131 HE22 GLN 16 HE22 GLN 16 1.531 1.684 5.621
132 H MET 17 H MET 17 1.700 -2.598 1.720
133 HA MET 17 HA MET 17 3.749 -4.524 1.313
134 HB2 MET 17 HB2 MET 17 1.624 -3.573 -0.616
135 HB3 MET 17 HB3 MET 17 2.574 -5.045 -0.769
136 HG2 MET 17 HG2 MET 17 0.939 -4.616 1.682
137 HG3 MET 17 HG3 MET 17 0.148 -5.110 0.187
138 HE1 MET 17 HE1 MET 17 0.953 -8.427 -0.606
139 HE2 MET 17 HE2 MET 17 1.034 -6.795 -1.271
140 HE3 MET 17 HE3 MET 17 2.519 -7.690 -0.944
141 H ALA 18 H ALA 18 3.074 -1.346 -0.032
142 HA ALA 18 HA ALA 18 5.056 -1.488 -2.084
143 HB1 ALA 18 HB1 ALA 18 4.411 0.631 -2.668
144 HB2 ALA 18 HB2 ALA 18 2.966 0.081 -1.820
145 HB3 ALA 18 HB3 ALA 18 4.126 1.125 -0.999
146 H VAL 19 H VAL 19 5.049 -0.586 1.276
147 HA VAL 19 HA VAL 19 7.387 0.967 1.355
148 HB VAL 19 HB VAL 19 5.823 -0.574 3.359
149 HG11 VAL 19 HG11 VAL 19 7.594 0.154 5.076
150 HG12 VAL 19 HG12 VAL 19 7.903 -1.300 4.124
151 HG13 VAL 19 HG13 VAL 19 8.694 0.218 3.699
152 HG21 VAL 19 HG21 VAL 19 6.857 2.251 3.170
153 HG22 VAL 19 HG22 VAL 19 5.202 1.702 2.906
154 HG23 VAL 19 HG23 VAL 19 5.910 1.625 4.519
155 H LYS 20 H LYS 20 6.906 -2.523 1.826
156 HA LYS 20 HA LYS 20 9.538 -3.220 2.408
157 HB2 LYS 20 HB2 LYS 20 7.167 -4.648 1.325
158 HB3 LYS 20 HB3 LYS 20 8.730 -5.431 1.130
159 HG2 LYS 20 HG2 LYS 20 7.606 -6.191 3.145
160 HG3 LYS 20 HG3 LYS 20 9.096 -5.329 3.536
161 HD2 LYS 20 HD2 LYS 20 7.694 -4.342 5.042
162 HD3 LYS 20 HD3 LYS 20 7.428 -3.270 3.665
163 HE2 LYS 20 HE2 LYS 20 5.301 -3.873 4.617
164 HE3 LYS 20 HE3 LYS 20 5.462 -4.639 3.037
165 HZ1 LYS 20 HZ1 LYS 20 6.246 -6.118 5.456
166 HZ2 LYS 20 HZ2 LYS 20 5.706 -6.711 3.967
167 HZ3 LYS 20 HZ3 LYS 20 4.609 -6.005 5.043
168 H LYS 21 H LYS 21 7.933 -2.775 -0.702
169 HA LYS 21 HA LYS 21 10.040 -3.738 -2.318
170 HB2 LYS 21 HB2 LYS 21 7.840 -1.757 -2.929
171 HB3 LYS 21 HB3 LYS 21 8.913 -2.452 -4.137
172 HG2 LYS 21 HG2 LYS 21 7.408 -4.310 -2.379
173 HG3 LYS 21 HG3 LYS 21 6.525 -3.458 -3.647
174 HD2 LYS 21 HD2 LYS 21 7.749 -4.460 -5.348
175 HD3 LYS 21 HD3 LYS 21 9.090 -4.869 -4.275
176 HE2 LYS 21 HE2 LYS 21 7.834 -6.611 -3.245
177 HE3 LYS 21 HE3 LYS 21 6.348 -6.092 -4.039
178 HZ1 LYS 21 HZ1 LYS 21 7.429 -8.072 -5.050
179 HZ2 LYS 21 HZ2 LYS 21 8.728 -7.088 -5.503
180 HZ3 LYS 21 HZ3 LYS 21 7.185 -6.796 -6.132
181 H TYR 22 H TYR 22 9.323 -0.580 -0.950
182 HA TYR 22 HA TYR 22 11.251 0.878 -2.423
183 HB2 TYR 22 HB2 TYR 22 9.743 1.373 0.123
184 HB3 TYR 22 HB3 TYR 22 11.028 2.470 -0.370
185 HD1 TYR 22 HD1 TYR 22 8.494 0.701 -2.454
186 HD2 TYR 22 HD2 TYR 22 9.942 4.430 -1.002
187 HE1 TYR 22 HE1 TYR 22 6.915 1.880 -3.926
188 HE2 TYR 22 HE2 TYR 22 8.366 5.619 -2.469
189 HH TYR 22 HH TYR 22 5.765 4.237 -3.879
190 H LEU 23 H LEU 23 11.363 -0.899 0.610
191 HA LEU 23 HA LEU 23 13.944 0.001 1.396
192 HB2 LEU 23 HB2 LEU 23 12.674 -2.605 2.189
193 HB3 LEU 23 HB3 LEU 23 13.843 -1.644 3.093
194 HG LEU 23 HG LEU 23 10.896 -1.277 2.806
195 HD11 LEU 23 HD11 LEU 23 12.895 -1.616 4.946
196 HD12 LEU 23 HD12 LEU 23 11.228 -2.182 4.844
197 HD13 LEU 23 HD13 LEU 23 11.565 -0.509 5.290
198 HD21 LEU 23 HD21 LEU 23 11.553 1.036 3.980
199 HD22 LEU 23 HD22 LEU 23 11.280 0.883 2.244
200 HD23 LEU 23 HD23 LEU 23 12.925 0.874 2.883
201 H ASN 24 H ASN 24 12.765 -2.646 -0.575
202 HA ASN 24 HA ASN 24 15.238 -4.060 -0.694
203 HB2 ASN 24 HB2 ASN 24 14.140 -5.560 -2.039
204 HB3 ASN 24 HB3 ASN 24 12.748 -4.788 -1.285
205 HD21 ASN 24 HD21 ASN 24 14.914 -4.341 -4.059
206 HD22 ASN 24 HD22 ASN 24 13.672 -3.887 -5.172
207 H SER 25 H SER 25 13.589 -1.813 -2.899
208 HA SER 25 HA SER 25 15.643 -1.848 -4.863
209 HB2 SER 25 HB2 SER 25 13.275 -1.179 -5.306
210 HB3 SER 25 HB3 SER 25 13.564 0.301 -4.391
211 HG SER 25 HG SER 25 15.058 -0.488 -6.671
212 H ILE 26 H ILE 26 15.167 -0.109 -1.910
213 HA ILE 26 HA ILE 26 17.133 1.925 -2.545
214 HB ILE 26 HB ILE 26 15.609 1.337 -0.007
215 HG12 ILE 26 HG12 ILE 26 15.385 3.802 -1.709
216 HG13 ILE 26 HG13 ILE 26 14.501 2.342 -2.139
217 HG21 ILE 26 HG21 ILE 26 18.029 2.769 -0.317
218 HG22 ILE 26 HG22 ILE 26 16.749 3.945 -0.026
219 HG23 ILE 26 HG23 ILE 26 17.015 2.631 1.119
220 HD11 ILE 26 HD11 ILE 26 12.917 3.343 -0.883
221 HD12 ILE 26 HD12 ILE 26 13.781 2.520 0.416
222 HD13 ILE 26 HD13 ILE 26 14.089 4.227 0.094
223 H LEU 27 H LEU 27 16.827 -0.624 -0.066
224 HA LEU 27 HA LEU 27 19.451 -0.409 0.904
225 HB2 LEU 27 HB2 LEU 27 17.543 -2.741 0.904
226 HB3 LEU 27 HB3 LEU 27 19.063 -2.709 1.795
227 HG LEU 27 HG LEU 27 16.953 -0.632 2.272
228 HD11 LEU 27 HD11 LEU 27 15.840 -1.948 3.829
229 HD12 LEU 27 HD12 LEU 27 17.135 -3.143 3.893
230 HD13 LEU 27 HD13 LEU 27 16.091 -3.050 2.474
231 HD21 LEU 27 HD21 LEU 27 18.168 -0.075 4.097
232 HD22 LEU 27 HD22 LEU 27 19.481 -0.763 3.140
233 HD23 LEU 27 HD23 LEU 27 18.698 -1.732 4.389
234 H ASN 28 H ASN 28 18.053 -2.461 -1.619
235 HA ASN 28 HA ASN 28 20.753 -3.402 -2.298
236 HB2 ASN 28 HB2 ASN 28 18.029 -4.563 -2.584
237 HB3 ASN 28 HB3 ASN 28 19.203 -4.949 -3.839
238 HD21 ASN 28 HD21 ASN 28 18.019 -5.785 -0.842
239 HD22 ASN 28 HD22 ASN 28 19.294 -6.835 -0.334
240 H GLY 29 H GLY 29 19.506 -0.765 -2.987
241 HA2 GLY 29 HA2 GLY 29 18.980 -0.848 -5.812
242 HA3 GLY 29 HA3 GLY 29 19.162 0.595 -4.825
Start of MODEL 8
1 H1 HIS 1 H HIS 1 -20.343 -3.910 -5.089
2 HA HIS 1 HA HIS 1 -20.638 -1.441 -4.020
3 HB2 HIS 1 HB2 HIS 1 -20.313 -4.105 -2.659
4 HB3 HIS 1 HB3 HIS 1 -20.627 -2.639 -1.735
5 HD1 HIS 1 HD1 HIS 1 -22.922 -3.655 -1.004
6 HD2 HIS 1 HD2 HIS 1 -22.534 -2.996 -5.088
7 HE1 HIS 1 HE1 HIS 1 -25.252 -3.822 -1.936
8 HE2 HIS 1 HE2 HIS 1 -24.981 -3.504 -4.420
9 H SER 2 H SER 2 -18.826 -0.134 -4.326
10 HA SER 2 HA SER 2 -16.670 -0.585 -2.377
11 HB2 SER 2 HB2 SER 2 -16.284 0.464 -5.191
12 HB3 SER 2 HB3 SER 2 -15.021 0.244 -3.979
13 HG SER 2 HG SER 2 -14.963 -1.808 -4.433
14 H ASP 3 H ASP 3 -16.794 0.986 -0.927
15 HA ASP 3 HA ASP 3 -17.597 3.676 -1.818
16 HB2 ASP 3 HB2 ASP 3 -17.904 2.253 0.819
17 HB3 ASP 3 HB3 ASP 3 -18.035 4.005 0.697
18 H ALA 4 H ALA 4 -16.710 5.349 -0.044
19 HA ALA 4 HA ALA 4 -14.012 5.703 -0.554
20 HB1 ALA 4 HB1 ALA 4 -15.980 7.165 0.680
21 HB2 ALA 4 HB2 ALA 4 -14.840 6.858 1.991
22 HB3 ALA 4 HB3 ALA 4 -14.291 7.646 0.512
23 H VAL 5 H VAL 5 -15.562 4.251 2.286
24 HA VAL 5 HA VAL 5 -13.249 3.857 3.819
25 HB VAL 5 HB VAL 5 -15.444 3.623 4.813
26 HG11 VAL 5 HG11 VAL 5 -17.084 2.214 4.119
27 HG12 VAL 5 HG12 VAL 5 -16.238 2.398 2.582
28 HG13 VAL 5 HG13 VAL 5 -15.948 0.976 3.585
29 HG21 VAL 5 HG21 VAL 5 -15.129 1.279 5.840
30 HG22 VAL 5 HG22 VAL 5 -13.664 1.212 4.862
31 HG23 VAL 5 HG23 VAL 5 -13.857 2.478 6.074
32 H PHE 6 H PHE 6 -14.818 1.790 1.410
33 HA PHE 6 HA PHE 6 -13.197 -0.472 1.740
34 HB2 PHE 6 HB2 PHE 6 -14.845 0.580 -0.539
35 HB3 PHE 6 HB3 PHE 6 -13.850 -0.857 -0.750
36 HD1 PHE 6 HD1 PHE 6 -16.775 0.560 0.926
37 HD2 PHE 6 HD2 PHE 6 -14.402 -2.927 0.354
38 HE1 PHE 6 HE1 PHE 6 -18.560 -0.813 1.916
39 HE2 PHE 6 HE2 PHE 6 -16.184 -4.306 1.341
40 HZ PHE 6 HZ PHE 6 -18.267 -3.250 2.123
41 H THR 7 H THR 7 -12.946 2.144 -0.668
42 HA THR 7 HA THR 7 -10.520 1.258 -1.793
43 HB THR 7 HB THR 7 -11.999 2.845 -2.946
44 HG1 THR 7 HG1 THR 7 -10.327 3.819 -3.902
45 HG21 THR 7 HG21 THR 7 -11.082 4.786 -0.821
46 HG22 THR 7 HG22 THR 7 -12.726 4.199 -1.073
47 HG23 THR 7 HG23 THR 7 -11.962 5.231 -2.282
48 H ASP 8 H ASP 8 -11.238 3.472 0.857
49 HA ASP 8 HA ASP 8 -8.704 4.560 1.244
50 HB2 ASP 8 HB2 ASP 8 -10.265 5.625 2.546
51 HB3 ASP 8 HB3 ASP 8 -11.095 4.128 2.964
52 H ASN 9 H ASN 9 -10.045 1.479 2.271
53 HA ASN 9 HA ASN 9 -7.887 0.785 3.999
54 HB2 ASN 9 HB2 ASN 9 -10.210 -0.671 2.801
55 HB3 ASN 9 HB3 ASN 9 -8.901 -1.605 3.520
56 HD21 ASN 9 HD21 ASN 9 -8.289 -0.979 5.749
57 HD22 ASN 9 HD22 ASN 9 -9.555 -0.518 6.831
58 H TYR 10 H TYR 10 -8.694 0.033 0.634
59 HA TYR 10 HA TYR 10 -6.600 -1.764 0.138
60 HB2 TYR 10 HB2 TYR 10 -7.940 0.130 -1.805
61 HB3 TYR 10 HB3 TYR 10 -6.992 -1.289 -2.238
62 HD1 TYR 10 HD1 TYR 10 -8.070 -3.140 -0.079
63 HD2 TYR 10 HD2 TYR 10 -10.011 -0.484 -2.778
64 HE1 TYR 10 HE1 TYR 10 -10.098 -4.529 0.022
65 HE2 TYR 10 HE2 TYR 10 -12.044 -1.864 -2.683
66 HH TYR 10 HH TYR 10 -12.527 -4.270 -0.357
67 H THR 11 H THR 11 -6.773 1.755 -0.191
68 HA THR 11 HA THR 11 -4.229 2.115 -1.350
69 HB THR 11 HB THR 11 -5.837 3.905 -1.460
70 HG1 THR 11 HG1 THR 11 -4.442 5.544 -0.971
71 HG21 THR 11 HG21 THR 11 -7.080 3.562 0.567
72 HG22 THR 11 HG22 THR 11 -6.421 5.198 0.599
73 HG23 THR 11 HG23 THR 11 -5.664 3.922 1.553
74 H ARG 12 H ARG 12 -5.322 2.065 2.012
75 HA ARG 12 HA ARG 12 -2.849 2.826 3.158
76 HB2 ARG 12 HB2 ARG 12 -5.184 2.798 4.235
77 HB3 ARG 12 HB3 ARG 12 -4.891 1.089 4.524
78 HG2 ARG 12 HG2 ARG 12 -2.991 1.583 5.898
79 HG3 ARG 12 HG3 ARG 12 -3.094 3.298 5.493
80 HD2 ARG 12 HD2 ARG 12 -5.481 1.991 6.690
81 HD3 ARG 12 HD3 ARG 12 -4.104 2.325 7.739
82 HE ARG 12 HE ARG 12 -4.930 4.575 6.149
83 HH11 ARG 12 HH12 ARG 12 -5.416 2.826 9.119
84 HH12 ARG 12 HH11 ARG 12 -6.072 4.188 9.966
85 HH21 ARG 12 HH22 ARG 12 -5.791 6.375 7.253
86 HH22 ARG 12 HH21 ARG 12 -6.285 6.206 8.904
87 H LEU 13 H LEU 13 -4.312 -0.322 2.462
88 HA LEU 13 HA LEU 13 -2.267 -1.878 3.648
89 HB2 LEU 13 HB2 LEU 13 -4.458 -2.798 3.208
90 HB3 LEU 13 HB3 LEU 13 -4.248 -2.544 1.477
91 HG LEU 13 HG LEU 13 -2.182 -4.162 1.868
92 HD11 LEU 13 HD11 LEU 13 -4.111 -4.900 4.062
93 HD12 LEU 13 HD12 LEU 13 -2.443 -4.366 4.258
94 HD13 LEU 13 HD13 LEU 13 -2.788 -5.916 3.491
95 HD21 LEU 13 HD21 LEU 13 -4.805 -5.547 1.832
96 HD22 LEU 13 HD22 LEU 13 -3.405 -5.739 0.776
97 HD23 LEU 13 HD23 LEU 13 -4.486 -4.361 0.566
98 H ARG 14 H ARG 14 -2.756 -0.607 0.397
99 HA ARG 14 HA ARG 14 -0.730 -2.015 -0.921
100 HB2 ARG 14 HB2 ARG 14 -2.582 -0.382 -1.813
101 HB3 ARG 14 HB3 ARG 14 -1.326 0.833 -1.623
102 HG2 ARG 14 HG2 ARG 14 -1.306 0.059 -3.881
103 HG3 ARG 14 HG3 ARG 14 0.146 -0.537 -3.075
104 HD2 ARG 14 HD2 ARG 14 -0.928 -2.248 -4.488
105 HD3 ARG 14 HD3 ARG 14 -0.859 -2.714 -2.790
106 HE ARG 14 HE ARG 14 -3.323 -1.450 -3.623
107 HH11 ARG 14 HH12 ARG 14 -1.592 -4.433 -3.151
108 HH12 ARG 14 HH11 ARG 14 -3.027 -5.399 -3.035
109 HH21 ARG 14 HH22 ARG 14 -5.219 -2.710 -3.471
110 HH22 ARG 14 HH21 ARG 14 -5.089 -4.417 -3.218
111 H LYS 15 H LYS 15 -0.627 0.918 1.020
112 HA LYS 15 HA LYS 15 1.970 1.758 0.394
113 HB2 LYS 15 HB2 LYS 15 0.331 3.126 1.637
114 HB3 LYS 15 HB3 LYS 15 0.496 2.050 3.019
115 HG2 LYS 15 HG2 LYS 15 1.883 3.777 3.611
116 HG3 LYS 15 HG3 LYS 15 3.021 2.664 2.847
117 HD2 LYS 15 HD2 LYS 15 2.340 4.047 0.688
118 HD3 LYS 15 HD3 LYS 15 1.983 5.284 1.896
119 HE2 LYS 15 HE2 LYS 15 4.336 4.709 2.817
120 HE3 LYS 15 HE3 LYS 15 4.598 3.982 1.232
121 HZ1 LYS 15 HZ1 LYS 15 4.941 5.976 0.368
122 HZ2 LYS 15 HZ2 LYS 15 4.840 6.652 1.915
123 HZ3 LYS 15 HZ3 LYS 15 3.458 6.552 0.944
124 H GLN 16 H GLN 16 0.805 -0.425 2.939
125 HA GLN 16 HA GLN 16 3.266 -0.883 4.190
126 HB2 GLN 16 HB2 GLN 16 0.674 -2.349 4.042
127 HB3 GLN 16 HB3 GLN 16 2.069 -3.195 4.698
128 HG2 GLN 16 HG2 GLN 16 1.085 -0.537 5.704
129 HG3 GLN 16 HG3 GLN 16 0.629 -2.092 6.397
130 HE21 GLN 16 HE21 GLN 16 2.751 0.445 6.584
131 HE22 GLN 16 HE22 GLN 16 3.994 -0.301 7.523
132 H MET 17 H MET 17 1.664 -2.648 1.557
133 HA MET 17 HA MET 17 3.724 -4.583 1.267
134 HB2 MET 17 HB2 MET 17 1.583 -3.695 -0.673
135 HB3 MET 17 HB3 MET 17 2.607 -5.108 -0.886
136 HG2 MET 17 HG2 MET 17 1.015 -4.862 1.612
137 HG3 MET 17 HG3 MET 17 0.194 -5.306 0.117
138 HE1 MET 17 HE1 MET 17 0.441 -8.799 -0.113
139 HE2 MET 17 HE2 MET 17 -0.339 -8.162 1.334
140 HE3 MET 17 HE3 MET 17 -0.442 -7.273 -0.186
141 H ALA 18 H ALA 18 3.077 -1.456 -0.205
142 HA ALA 18 HA ALA 18 5.108 -1.664 -2.202
143 HB1 ALA 18 HB1 ALA 18 4.207 1.002 -1.266
144 HB2 ALA 18 HB2 ALA 18 4.426 0.389 -2.905
145 HB3 ALA 18 HB3 ALA 18 2.999 -0.069 -1.977
146 H VAL 19 H VAL 19 5.030 -0.686 1.128
147 HA VAL 19 HA VAL 19 7.347 0.897 1.222
148 HB VAL 19 HB VAL 19 5.766 -0.628 3.223
149 HG11 VAL 19 HG11 VAL 19 7.892 -1.312 3.973
150 HG12 VAL 19 HG12 VAL 19 8.603 0.270 3.650
151 HG13 VAL 19 HG13 VAL 19 7.460 0.070 4.979
152 HG21 VAL 19 HG21 VAL 19 6.771 2.205 3.001
153 HG22 VAL 19 HG22 VAL 19 5.126 1.633 2.726
154 HG23 VAL 19 HG23 VAL 19 5.813 1.593 4.349
155 H LYS 20 H LYS 20 6.890 -2.595 1.634
156 HA LYS 20 HA LYS 20 9.493 -3.284 2.341
157 HB2 LYS 20 HB2 LYS 20 7.227 -4.719 1.035
158 HB3 LYS 20 HB3 LYS 20 8.812 -5.482 1.022
159 HG2 LYS 20 HG2 LYS 20 8.799 -5.875 3.254
160 HG3 LYS 20 HG3 LYS 20 7.841 -4.437 3.615
161 HD2 LYS 20 HD2 LYS 20 6.705 -6.854 2.225
162 HD3 LYS 20 HD3 LYS 20 6.693 -6.664 3.980
163 HE2 LYS 20 HE2 LYS 20 5.647 -4.428 2.326
164 HE3 LYS 20 HE3 LYS 20 4.662 -5.884 2.462
165 HZ1 LYS 20 HZ1 LYS 20 5.712 -4.328 4.762
166 HZ2 LYS 20 HZ2 LYS 20 4.687 -5.670 4.846
167 HZ3 LYS 20 HZ3 LYS 20 4.133 -4.224 4.164
168 H LYS 21 H LYS 21 8.042 -2.877 -0.860
169 HA LYS 21 HA LYS 21 10.246 -3.747 -2.372
170 HB2 LYS 21 HB2 LYS 21 7.868 -3.332 -3.174
171 HB3 LYS 21 HB3 LYS 21 8.282 -1.624 -3.229
172 HG2 LYS 21 HG2 LYS 21 10.003 -3.592 -4.662
173 HG3 LYS 21 HG3 LYS 21 8.462 -3.099 -5.368
174 HD2 LYS 21 HD2 LYS 21 10.495 -1.101 -4.414
175 HD3 LYS 21 HD3 LYS 21 10.534 -1.773 -6.046
176 HE2 LYS 21 HE2 LYS 21 8.074 -0.483 -4.900
177 HE3 LYS 21 HE3 LYS 21 9.324 0.449 -5.723
178 HZ1 LYS 21 HZ1 LYS 21 8.992 -0.904 -7.692
179 HZ2 LYS 21 HZ2 LYS 21 7.539 -0.173 -7.228
180 HZ3 LYS 21 HZ3 LYS 21 7.801 -1.812 -6.903
181 H TYR 22 H TYR 22 9.367 -0.566 -1.111
182 HA TYR 22 HA TYR 22 11.354 0.928 -2.408
183 HB2 TYR 22 HB2 TYR 22 9.793 1.329 0.128
184 HB3 TYR 22 HB3 TYR 22 11.051 2.467 -0.341
185 HD1 TYR 22 HD1 TYR 22 8.561 0.666 -2.451
186 HD2 TYR 22 HD2 TYR 22 9.930 4.409 -0.961
187 HE1 TYR 22 HE1 TYR 22 6.958 1.827 -3.912
188 HE2 TYR 22 HE2 TYR 22 8.331 5.580 -2.417
189 HH TYR 22 HH TYR 22 5.840 3.918 -4.123
190 H LEU 23 H LEU 23 11.394 -0.894 0.608
191 HA LEU 23 HA LEU 23 13.962 -0.005 1.449
192 HB2 LEU 23 HB2 LEU 23 12.766 -2.635 2.236
193 HB3 LEU 23 HB3 LEU 23 13.785 -1.553 3.183
194 HG LEU 23 HG LEU 23 10.847 -1.493 2.731
195 HD11 LEU 23 HD11 LEU 23 12.765 -1.467 4.961
196 HD12 LEU 23 HD12 LEU 23 11.153 -2.174 4.852
197 HD13 LEU 23 HD13 LEU 23 11.340 -0.450 5.170
198 HD21 LEU 23 HD21 LEU 23 10.955 0.649 2.054
199 HD22 LEU 23 HD22 LEU 23 12.606 0.863 2.635
200 HD23 LEU 23 HD23 LEU 23 11.253 0.973 3.762
201 H ASN 24 H ASN 24 12.809 -2.648 -0.543
202 HA ASN 24 HA ASN 24 15.255 -4.096 -0.608
203 HB2 ASN 24 HB2 ASN 24 14.166 -5.560 -1.985
204 HB3 ASN 24 HB3 ASN 24 12.758 -4.731 -1.326
205 HD21 ASN 24 HD21 ASN 24 15.116 -4.367 -3.953
206 HD22 ASN 24 HD22 ASN 24 13.964 -3.884 -5.147
207 H SER 25 H SER 25 13.723 -1.845 -2.900
208 HA SER 25 HA SER 25 15.894 -1.871 -4.734
209 HB2 SER 25 HB2 SER 25 13.682 -1.247 -5.499
210 HB3 SER 25 HB3 SER 25 13.626 0.100 -4.362
211 HG SER 25 HG SER 25 14.207 0.894 -6.365
212 H ILE 26 H ILE 26 15.215 -0.112 -1.832
213 HA ILE 26 HA ILE 26 17.166 1.959 -2.354
214 HB ILE 26 HB ILE 26 15.441 1.298 0.018
215 HG12 ILE 26 HG12 ILE 26 15.652 3.786 -1.689
216 HG13 ILE 26 HG13 ILE 26 14.475 2.502 -1.946
217 HG21 ILE 26 HG21 ILE 26 17.612 1.996 0.884
218 HG22 ILE 26 HG22 ILE 26 17.558 3.439 -0.127
219 HG23 ILE 26 HG23 ILE 26 16.387 3.231 1.175
220 HD11 ILE 26 HD11 ILE 26 13.445 2.954 0.171
221 HD12 ILE 26 HD12 ILE 26 14.696 4.132 0.571
222 HD13 ILE 26 HD13 ILE 26 13.569 4.456 -0.745
223 H LEU 27 H LEU 27 16.840 -0.570 0.146
224 HA LEU 27 HA LEU 27 19.446 -0.313 1.151
225 HB2 LEU 27 HB2 LEU 27 17.518 -2.623 1.184
226 HB3 LEU 27 HB3 LEU 27 19.055 -2.632 2.047
227 HG LEU 27 HG LEU 27 17.088 -0.445 2.573
228 HD11 LEU 27 HD11 LEU 27 16.932 -2.837 4.292
229 HD12 LEU 27 HD12 LEU 27 16.177 -2.965 2.703
230 HD13 LEU 27 HD13 LEU 27 15.678 -1.692 3.817
231 HD21 LEU 27 HD21 LEU 27 18.695 0.076 4.016
232 HD22 LEU 27 HD22 LEU 27 19.564 -1.421 3.678
233 HD23 LEU 27 HD23 LEU 27 18.295 -1.395 4.904
234 H ASN 28 H ASN 28 18.105 -2.432 -1.346
235 HA ASN 28 HA ASN 28 20.827 -3.353 -1.969
236 HB2 ASN 28 HB2 ASN 28 18.127 -4.572 -2.240
237 HB3 ASN 28 HB3 ASN 28 19.317 -4.972 -3.476
238 HD21 ASN 28 HD21 ASN 28 18.015 -6.131 -0.811
239 HD22 ASN 28 HD22 ASN 28 19.349 -6.992 -0.131
240 H GLY 29 H GLY 29 19.560 -0.758 -2.744
241 HA2 GLY 29 HA2 GLY 29 19.365 0.594 -4.593
242 HA3 GLY 29 HA3 GLY 29 20.644 -0.415 -5.253
Start of MODEL 9
1 H1 HIS 1 H HIS 1 -21.450 8.262 -0.772
2 HA HIS 1 HA HIS 1 -18.754 7.422 -0.007
3 HB2 HIS 1 HB2 HIS 1 -21.261 6.913 1.579
4 HB3 HIS 1 HB3 HIS 1 -19.600 7.007 2.155
5 HD1 HIS 1 HD1 HIS 1 -22.611 9.021 1.644
6 HD2 HIS 1 HD2 HIS 1 -18.552 9.712 2.198
7 HE1 HIS 1 HE1 HIS 1 -22.422 11.449 2.271
8 HE2 HIS 1 HE2 HIS 1 -19.950 11.864 2.519
9 H SER 2 H SER 2 -19.764 6.199 -2.298
10 HA SER 2 HA SER 2 -20.881 3.634 -1.590
11 HB2 SER 2 HB2 SER 2 -19.866 4.735 -4.219
12 HB3 SER 2 HB3 SER 2 -20.612 3.148 -4.032
13 HG SER 2 HG SER 2 -22.318 4.353 -4.505
14 H ASP 3 H ASP 3 -19.565 2.301 -0.504
15 HA ASP 3 HA ASP 3 -17.788 0.977 0.014
16 HB2 ASP 3 HB2 ASP 3 -17.054 1.240 -2.906
17 HB3 ASP 3 HB3 ASP 3 -16.611 -0.066 -1.810
18 H ALA 4 H ALA 4 -17.428 3.698 0.509
19 HA ALA 4 HA ALA 4 -14.950 4.670 -0.485
20 HB1 ALA 4 HB1 ALA 4 -15.924 5.609 2.150
21 HB2 ALA 4 HB2 ALA 4 -15.354 6.527 0.755
22 HB3 ALA 4 HB3 ALA 4 -16.984 5.855 0.762
23 H VAL 5 H VAL 5 -15.893 2.965 2.473
24 HA VAL 5 HA VAL 5 -13.395 3.078 3.763
25 HB VAL 5 HB VAL 5 -15.411 2.470 4.978
26 HG11 VAL 5 HG11 VAL 5 -15.389 -0.197 3.595
27 HG12 VAL 5 HG12 VAL 5 -16.639 0.497 4.629
28 HG13 VAL 5 HG13 VAL 5 -16.363 1.154 3.016
29 HG21 VAL 5 HG21 VAL 5 -14.539 0.374 6.104
30 HG22 VAL 5 HG22 VAL 5 -13.243 0.385 4.908
31 HG23 VAL 5 HG23 VAL 5 -13.423 1.738 6.025
32 H PHE 6 H PHE 6 -14.783 0.735 1.510
33 HA PHE 6 HA PHE 6 -12.789 -1.221 1.689
34 HB2 PHE 6 HB2 PHE 6 -14.708 -0.454 -0.499
35 HB3 PHE 6 HB3 PHE 6 -13.552 -1.765 -0.711
36 HD1 PHE 6 HD2 PHE 6 -13.693 -3.777 0.709
37 HD2 PHE 6 HD1 PHE 6 -16.648 -0.717 0.839
38 HE1 PHE 6 HE2 PHE 6 -15.242 -5.325 1.831
39 HE2 PHE 6 HE1 PHE 6 -18.201 -2.259 1.962
40 HZ PHE 6 HZ PHE 6 -17.500 -4.567 2.459
41 H THR 7 H THR 7 -13.150 1.395 -0.704
42 HA THR 7 HA THR 7 -10.659 0.912 -1.964
43 HB THR 7 HB THR 7 -12.501 2.128 -3.073
44 HG1 THR 7 HG1 THR 7 -11.044 3.973 -3.750
45 HG21 THR 7 HG21 THR 7 -11.810 4.295 -1.087
46 HG22 THR 7 HG22 THR 7 -13.351 3.453 -1.252
47 HG23 THR 7 HG23 THR 7 -12.801 4.542 -2.525
48 H ASP 8 H ASP 8 -11.679 3.067 0.634
49 HA ASP 8 HA ASP 8 -9.379 4.636 0.836
50 HB2 ASP 8 HB2 ASP 8 -11.072 5.467 2.148
51 HB3 ASP 8 HB3 ASP 8 -11.578 3.871 2.694
52 H ASN 9 H ASN 9 -10.179 1.564 2.430
53 HA ASN 9 HA ASN 9 -7.819 1.359 3.946
54 HB2 ASN 9 HB2 ASN 9 -9.960 0.014 4.221
55 HB3 ASN 9 HB3 ASN 9 -9.402 -0.978 2.878
56 HD21 ASN 9 HD21 ASN 9 -9.389 -0.587 6.180
57 HD22 ASN 9 HD22 ASN 9 -8.096 -1.664 6.574
58 H TYR 10 H TYR 10 -8.521 0.672 0.616
59 HA TYR 10 HA TYR 10 -6.359 -1.058 0.067
60 HB2 TYR 10 HB2 TYR 10 -7.799 0.849 -1.789
61 HB3 TYR 10 HB3 TYR 10 -6.750 -0.471 -2.294
62 HD1 TYR 10 HD1 TYR 10 -8.118 -1.991 0.328
63 HD2 TYR 10 HD2 TYR 10 -9.401 -0.378 -3.394
64 HE1 TYR 10 HE1 TYR 10 -10.042 -3.523 0.334
65 HE2 TYR 10 HE2 TYR 10 -11.329 -1.905 -3.398
66 HH TYR 10 HH TYR 10 -12.042 -3.972 -0.638
67 H THR 11 H THR 11 -6.657 2.434 0.181
68 HA THR 11 HA THR 11 -4.213 3.068 -1.086
69 HB THR 11 HB THR 11 -5.640 4.698 1.023
70 HG1 THR 11 HG1 THR 11 -7.117 5.014 -0.447
71 HG21 THR 11 HG21 THR 11 -4.037 5.779 -1.265
72 HG22 THR 11 HG22 THR 11 -3.234 5.260 0.217
73 HG23 THR 11 HG23 THR 11 -4.444 6.542 0.271
74 H ARG 12 H ARG 12 -5.079 2.593 2.321
75 HA ARG 12 HA ARG 12 -2.460 3.168 3.300
76 HB2 ARG 12 HB2 ARG 12 -3.321 2.210 5.432
77 HB3 ARG 12 HB3 ARG 12 -4.344 3.475 4.765
78 HG2 ARG 12 HG2 ARG 12 -5.831 1.734 3.839
79 HG3 ARG 12 HG3 ARG 12 -4.831 0.508 4.620
80 HD2 ARG 12 HD2 ARG 12 -5.878 2.731 6.290
81 HD3 ARG 12 HD3 ARG 12 -7.011 1.486 5.767
82 HE ARG 12 HE ARG 12 -5.951 -0.034 7.144
83 HH11 ARG 12 HH12 ARG 12 -4.130 2.930 6.991
84 HH12 ARG 12 HH11 ARG 12 -3.088 2.510 8.310
85 HH21 ARG 12 HH22 ARG 12 -4.586 -0.598 8.881
86 HH22 ARG 12 HH21 ARG 12 -3.348 0.503 9.384
87 H LEU 13 H LEU 13 -4.262 0.184 2.650
88 HA LEU 13 HA LEU 13 -2.370 -1.636 3.603
89 HB2 LEU 13 HB2 LEU 13 -4.616 -2.315 3.060
90 HB3 LEU 13 HB3 LEU 13 -4.371 -1.898 1.365
91 HG LEU 13 HG LEU 13 -2.464 -3.728 1.574
92 HD11 LEU 13 HD11 LEU 13 -2.469 -4.828 3.500
93 HD12 LEU 13 HD12 LEU 13 -4.065 -5.452 3.085
94 HD13 LEU 13 HD13 LEU 13 -3.916 -3.978 4.041
95 HD21 LEU 13 HD21 LEU 13 -3.825 -5.082 0.344
96 HD22 LEU 13 HD22 LEU 13 -4.751 -3.583 0.255
97 HD23 LEU 13 HD23 LEU 13 -5.214 -4.839 1.404
98 H ARG 14 H ARG 14 -2.702 -0.105 0.435
99 HA ARG 14 HA ARG 14 -0.751 -1.563 -0.936
100 HB2 ARG 14 HB2 ARG 14 -2.473 0.295 -1.711
101 HB3 ARG 14 HB3 ARG 14 -1.082 1.350 -1.496
102 HG2 ARG 14 HG2 ARG 14 0.130 -0.447 -2.959
103 HG3 ARG 14 HG3 ARG 14 -1.515 -0.840 -3.464
104 HD2 ARG 14 HD2 ARG 14 -1.873 1.313 -4.338
105 HD3 ARG 14 HD3 ARG 14 -0.469 1.975 -3.501
106 HE ARG 14 HE ARG 14 0.173 -0.082 -5.405
107 HH11 ARG 14 HH12 ARG 14 -0.394 3.321 -4.941
108 HH12 ARG 14 HH11 ARG 14 0.522 3.797 -6.332
109 HH21 ARG 14 HH22 ARG 14 1.382 0.531 -7.240
110 HH22 ARG 14 HH21 ARG 14 1.531 2.209 -7.640
111 H LYS 15 H LYS 15 -0.484 1.237 1.179
112 HA LYS 15 HA LYS 15 2.162 1.952 0.654
113 HB2 LYS 15 HB2 LYS 15 0.486 3.224 2.049
114 HB3 LYS 15 HB3 LYS 15 0.818 2.093 3.354
115 HG2 LYS 15 HG2 LYS 15 2.166 3.912 3.848
116 HG3 LYS 15 HG3 LYS 15 3.272 2.784 3.059
117 HD2 LYS 15 HD2 LYS 15 2.711 4.038 0.898
118 HD3 LYS 15 HD3 LYS 15 2.026 5.282 1.946
119 HE2 LYS 15 HE2 LYS 15 4.857 4.250 2.082
120 HE3 LYS 15 HE3 LYS 15 4.360 5.755 1.310
121 HZ1 LYS 15 HZ1 LYS 15 5.042 5.378 3.962
122 HZ2 LYS 15 HZ2 LYS 15 3.370 5.635 3.958
123 HZ3 LYS 15 HZ3 LYS 15 4.403 6.778 3.259
124 H GLN 16 H GLN 16 0.849 -0.377 2.986
125 HA GLN 16 HA GLN 16 3.258 -1.079 4.220
126 HB2 GLN 16 HB2 GLN 16 0.602 -2.397 3.891
127 HB3 GLN 16 HB3 GLN 16 1.942 -3.361 4.495
128 HG2 GLN 16 HG2 GLN 16 1.066 -0.757 5.717
129 HG3 GLN 16 HG3 GLN 16 0.505 -2.340 6.254
130 HE21 GLN 16 HE21 GLN 16 3.117 -0.089 6.211
131 HE22 GLN 16 HE22 GLN 16 4.149 -0.938 7.306
132 H MET 17 H MET 17 1.627 -2.496 1.403
133 HA MET 17 HA MET 17 3.584 -4.507 0.963
134 HB2 MET 17 HB2 MET 17 1.621 -3.318 -1.005
135 HB3 MET 17 HB3 MET 17 2.481 -4.841 -1.189
136 HG2 MET 17 HG2 MET 17 1.319 -5.465 1.046
137 HG3 MET 17 HG3 MET 17 0.219 -4.154 0.628
138 HE1 MET 17 HE1 MET 17 0.974 -7.831 -2.026
139 HE2 MET 17 HE2 MET 17 2.197 -6.827 -1.248
140 HE3 MET 17 HE3 MET 17 1.235 -7.949 -0.286
141 H ALA 18 H ALA 18 3.139 -1.224 -0.226
142 HA ALA 18 HA ALA 18 5.221 -1.358 -2.177
143 HB1 ALA 18 HB1 ALA 18 3.239 0.522 -1.371
144 HB2 ALA 18 HB2 ALA 18 4.808 1.328 -1.399
145 HB3 ALA 18 HB3 ALA 18 4.215 0.503 -2.840
146 H VAL 19 H VAL 19 5.087 -0.697 1.225
147 HA VAL 19 HA VAL 19 7.463 0.766 1.535
148 HB VAL 19 HB VAL 19 5.759 -0.875 3.331
149 HG11 VAL 19 HG11 VAL 19 7.433 -0.442 5.191
150 HG12 VAL 19 HG12 VAL 19 7.829 -1.737 4.059
151 HG13 VAL 19 HG13 VAL 19 8.621 -0.167 3.917
152 HG21 VAL 19 HG21 VAL 19 5.878 1.213 4.680
153 HG22 VAL 19 HG22 VAL 19 6.903 1.913 3.427
154 HG23 VAL 19 HG23 VAL 19 5.242 1.453 3.053
155 H LYS 20 H LYS 20 6.863 -2.734 1.703
156 HA LYS 20 HA LYS 20 9.446 -3.557 2.335
157 HB2 LYS 20 HB2 LYS 20 7.088 -4.821 1.037
158 HB3 LYS 20 HB3 LYS 20 8.636 -5.636 0.857
159 HG2 LYS 20 HG2 LYS 20 8.760 -6.193 3.056
160 HG3 LYS 20 HG3 LYS 20 7.852 -4.773 3.582
161 HD2 LYS 20 HD2 LYS 20 6.650 -7.135 2.140
162 HD3 LYS 20 HD3 LYS 20 6.628 -6.916 3.892
163 HE2 LYS 20 HE2 LYS 20 5.607 -4.566 3.197
164 HE3 LYS 20 HE3 LYS 20 5.126 -5.480 1.768
165 HZ1 LYS 20 HZ1 LYS 20 4.589 -6.845 4.241
166 HZ2 LYS 20 HZ2 LYS 20 3.577 -6.579 2.912
167 HZ3 LYS 20 HZ3 LYS 20 3.753 -5.382 4.094
168 H LYS 21 H LYS 21 7.956 -3.040 -0.845
169 HA LYS 21 HA LYS 21 10.130 -3.861 -2.408
170 HB2 LYS 21 HB2 LYS 21 7.914 -3.529 -3.357
171 HB3 LYS 21 HB3 LYS 21 7.990 -1.808 -3.000
172 HG2 LYS 21 HG2 LYS 21 8.534 -1.785 -5.211
173 HG3 LYS 21 HG3 LYS 21 10.145 -1.926 -4.503
174 HD2 LYS 21 HD2 LYS 21 10.141 -4.315 -4.875
175 HD3 LYS 21 HD3 LYS 21 8.478 -4.251 -5.463
176 HE2 LYS 21 HE2 LYS 21 10.822 -2.853 -6.748
177 HE3 LYS 21 HE3 LYS 21 10.155 -4.396 -7.279
178 HZ1 LYS 21 HZ1 LYS 21 8.899 -1.723 -7.381
179 HZ2 LYS 21 HZ2 LYS 21 7.974 -3.135 -7.486
180 HZ3 LYS 21 HZ3 LYS 21 9.161 -2.815 -8.647
181 H TYR 22 H TYR 22 9.321 -0.709 -1.028
182 HA TYR 22 HA TYR 22 11.319 0.798 -2.286
183 HB2 TYR 22 HB2 TYR 22 9.772 1.117 0.265
184 HB3 TYR 22 HB3 TYR 22 11.078 2.233 -0.118
185 HD1 TYR 22 HD1 TYR 22 8.621 0.664 -2.430
186 HD2 TYR 22 HD2 TYR 22 9.974 4.243 -0.568
187 HE1 TYR 22 HE1 TYR 22 7.085 1.971 -3.838
188 HE2 TYR 22 HE2 TYR 22 8.441 5.559 -1.970
189 HH TYR 22 HH TYR 22 7.320 5.149 -4.357
190 H LEU 23 H LEU 23 11.371 -1.143 0.656
191 HA LEU 23 HA LEU 23 13.957 -0.336 1.508
192 HB2 LEU 23 HB2 LEU 23 12.709 -2.986 2.150
193 HB3 LEU 23 HB3 LEU 23 13.797 -2.013 3.138
194 HG LEU 23 HG LEU 23 10.856 -1.848 2.815
195 HD11 LEU 23 HD11 LEU 23 11.445 -0.893 5.251
196 HD12 LEU 23 HD12 LEU 23 12.886 -1.865 4.957
197 HD13 LEU 23 HD13 LEU 23 11.291 -2.613 4.893
198 HD21 LEU 23 HD21 LEU 23 11.136 0.301 2.060
199 HD22 LEU 23 HD22 LEU 23 12.671 0.516 2.902
200 HD23 LEU 23 HD23 LEU 23 11.155 0.561 3.804
201 H ASN 24 H ASN 24 12.757 -2.967 -0.508
202 HA ASN 24 HA ASN 24 15.193 -4.384 -0.711
203 HB2 ASN 24 HB2 ASN 24 14.083 -5.767 -2.160
204 HB3 ASN 24 HB3 ASN 24 12.691 -4.976 -1.427
205 HD21 ASN 24 HD21 ASN 24 14.995 -4.472 -4.078
206 HD22 ASN 24 HD22 ASN 24 13.821 -3.916 -5.218
207 H SER 25 H SER 25 13.654 -2.026 -2.890
208 HA SER 25 HA SER 25 15.818 -1.976 -4.732
209 HB2 SER 25 HB2 SER 25 14.683 0.028 -5.657
210 HB3 SER 25 HB3 SER 25 13.574 -1.324 -5.427
211 HG SER 25 HG SER 25 13.915 0.849 -3.630
212 H ILE 26 H ILE 26 15.015 -0.153 -1.855
213 HA ILE 26 HA ILE 26 16.956 1.903 -2.257
214 HB ILE 26 HB ILE 26 15.373 1.024 0.146
215 HG12 ILE 26 HG12 ILE 26 15.354 3.689 -1.259
216 HG13 ILE 26 HG13 ILE 26 14.376 2.340 -1.826
217 HG21 ILE 26 HG21 ILE 26 17.134 1.824 1.331
218 HG22 ILE 26 HG22 ILE 26 17.714 2.828 0.003
219 HG23 ILE 26 HG23 ILE 26 16.346 3.362 0.979
220 HD11 ILE 26 HD11 ILE 26 13.983 4.124 0.447
221 HD12 ILE 26 HD12 ILE 26 12.816 3.170 -0.470
222 HD13 ILE 26 HD13 ILE 26 13.748 2.417 0.824
223 H LEU 27 H LEU 27 16.820 -0.787 0.087
224 HA LEU 27 HA LEU 27 19.457 -0.500 1.000
225 HB2 LEU 27 HB2 LEU 27 17.595 -2.863 0.971
226 HB3 LEU 27 HB3 LEU 27 19.176 -2.894 1.750
227 HG LEU 27 HG LEU 27 16.936 -1.016 2.496
228 HD11 LEU 27 HD11 LEU 27 16.107 -2.541 3.893
229 HD12 LEU 27 HD12 LEU 27 17.709 -3.045 4.430
230 HD13 LEU 27 HD13 LEU 27 17.019 -3.727 2.957
231 HD21 LEU 27 HD21 LEU 27 19.590 -1.635 3.788
232 HD22 LEU 27 HD22 LEU 27 18.319 -0.647 4.508
233 HD23 LEU 27 HD23 LEU 27 19.115 -0.118 3.025
234 H ASN 28 H ASN 28 18.084 -2.412 -1.628
235 HA ASN 28 HA ASN 28 20.313 -3.963 -2.259
236 HB2 ASN 28 HB2 ASN 28 18.183 -4.457 -3.262
237 HB3 ASN 28 HB3 ASN 28 18.118 -2.873 -4.028
238 HD21 ASN 28 HD21 ASN 28 18.182 -5.765 -4.983
239 HD22 ASN 28 HD22 ASN 28 19.380 -5.756 -6.227
240 H GLY 29 H GLY 29 19.517 -0.644 -3.094
241 HA2 GLY 29 HA2 GLY 29 21.424 -0.226 -5.107
242 HA3 GLY 29 HA3 GLY 29 20.755 1.024 -4.068
Start of MODEL 10
1 H1 HIS 1 H HIS 1 -23.739 4.263 -2.739
2 HA HIS 1 HA HIS 1 -22.704 6.863 -3.231
3 HB2 HIS 1 HB2 HIS 1 -23.753 5.873 -1.065
4 HB3 HIS 1 HB3 HIS 1 -22.119 5.308 -0.729
5 HD1 HIS 1 HD1 HIS 1 -20.831 6.874 0.668
6 HD2 HIS 1 HD2 HIS 1 -23.652 8.855 -1.651
7 HE1 HIS 1 HE1 HIS 1 -20.628 9.301 1.291
8 HE2 HIS 1 HE2 HIS 1 -22.402 10.469 -0.061
9 H SER 2 H SER 2 -20.481 7.486 -2.332
10 HA SER 2 HA SER 2 -18.509 6.197 -3.900
11 HB2 SER 2 HB2 SER 2 -18.395 8.591 -3.352
12 HB3 SER 2 HB3 SER 2 -18.166 8.195 -1.649
13 HG SER 2 HG SER 2 -16.130 8.283 -2.213
14 H ASP 3 H ASP 3 -17.196 4.550 -3.459
15 HA ASP 3 HA ASP 3 -17.411 3.219 -0.901
16 HB2 ASP 3 HB2 ASP 3 -15.539 2.365 -3.085
17 HB3 ASP 3 HB3 ASP 3 -16.410 1.373 -1.918
18 H ALA 4 H ALA 4 -16.303 5.631 -0.428
19 HA ALA 4 HA ALA 4 -13.586 5.997 -0.605
20 HB1 ALA 4 HB1 ALA 4 -14.263 6.871 1.969
21 HB2 ALA 4 HB2 ALA 4 -14.224 7.823 0.484
22 HB3 ALA 4 HB3 ALA 4 -15.724 7.049 0.997
23 H VAL 5 H VAL 5 -15.350 4.193 1.899
24 HA VAL 5 HA VAL 5 -13.143 3.497 3.474
25 HB VAL 5 HB VAL 5 -15.461 3.220 4.234
26 HG11 VAL 5 HG11 VAL 5 -16.322 2.373 2.044
27 HG12 VAL 5 HG12 VAL 5 -15.590 0.813 2.425
28 HG13 VAL 5 HG13 VAL 5 -16.873 1.461 3.449
29 HG21 VAL 5 HG21 VAL 5 -13.585 0.892 4.278
30 HG22 VAL 5 HG22 VAL 5 -14.005 2.016 5.570
31 HG23 VAL 5 HG23 VAL 5 -15.156 0.776 5.070
32 H PHE 6 H PHE 6 -14.563 1.936 0.646
33 HA PHE 6 HA PHE 6 -13.120 -0.461 0.731
34 HB2 PHE 6 HB2 PHE 6 -14.485 1.087 -1.436
35 HB3 PHE 6 HB3 PHE 6 -13.473 -0.285 -1.874
36 HD1 PHE 6 HD1 PHE 6 -16.323 0.668 0.312
37 HD2 PHE 6 HD2 PHE 6 -14.341 -2.432 -1.828
38 HE1 PHE 6 HE1 PHE 6 -18.190 -0.858 0.801
39 HE2 PHE 6 HE2 PHE 6 -16.206 -3.962 -1.344
40 HZ PHE 6 HZ PHE 6 -18.134 -3.176 -0.029
41 H THR 7 H THR 7 -12.433 2.500 -1.132
42 HA THR 7 HA THR 7 -9.916 1.609 -2.076
43 HB THR 7 HB THR 7 -11.228 3.420 -3.160
44 HG1 THR 7 HG1 THR 7 -9.230 3.603 -3.894
45 HG21 THR 7 HG21 THR 7 -10.331 5.020 -0.761
46 HG22 THR 7 HG22 THR 7 -11.991 4.630 -1.210
47 HG23 THR 7 HG23 THR 7 -11.034 5.709 -2.224
48 H ASP 8 H ASP 8 -10.913 3.517 0.716
49 HA ASP 8 HA ASP 8 -8.435 4.442 1.570
50 HB2 ASP 8 HB2 ASP 8 -11.037 3.870 2.895
51 HB3 ASP 8 HB3 ASP 8 -9.632 4.084 3.936
52 H ASN 9 H ASN 9 -10.022 1.339 2.181
53 HA ASN 9 HA ASN 9 -8.121 0.331 3.999
54 HB2 ASN 9 HB2 ASN 9 -10.244 -0.867 2.272
55 HB3 ASN 9 HB3 ASN 9 -9.055 -1.940 3.005
56 HD21 ASN 9 HD21 ASN 9 -8.647 -1.244 5.423
57 HD22 ASN 9 HD22 ASN 9 -10.091 -1.097 6.359
58 H TYR 10 H TYR 10 -8.375 0.116 0.477
59 HA TYR 10 HA TYR 10 -6.190 -1.634 0.101
60 HB2 TYR 10 HB2 TYR 10 -7.254 0.426 -1.840
61 HB3 TYR 10 HB3 TYR 10 -6.304 -1.001 -2.238
62 HD1 TYR 10 HD1 TYR 10 -7.713 -2.967 -0.423
63 HD2 TYR 10 HD2 TYR 10 -9.212 -0.006 -3.086
64 HE1 TYR 10 HE1 TYR 10 -9.781 -4.270 -0.699
65 HE2 TYR 10 HE2 TYR 10 -11.284 -1.300 -3.368
66 HH TYR 10 HH TYR 10 -12.511 -3.016 -2.536
67 H THR 11 H THR 11 -6.446 1.849 0.397
68 HA THR 11 HA THR 11 -3.882 2.538 -0.532
69 HB THR 11 HB THR 11 -5.523 3.976 1.563
70 HG1 THR 11 HG1 THR 11 -6.552 3.587 -0.543
71 HG21 THR 11 HG21 THR 11 -4.235 5.893 1.109
72 HG22 THR 11 HG22 THR 11 -3.527 5.179 -0.340
73 HG23 THR 11 HG23 THR 11 -3.059 4.588 1.254
74 H ARG 12 H ARG 12 -5.065 1.639 2.675
75 HA ARG 12 HA ARG 12 -2.589 2.133 4.003
76 HB2 ARG 12 HB2 ARG 12 -4.975 0.467 4.824
77 HB3 ARG 12 HB3 ARG 12 -3.622 0.865 5.875
78 HG2 ARG 12 HG2 ARG 12 -4.160 3.260 5.598
79 HG3 ARG 12 HG3 ARG 12 -5.570 2.800 4.642
80 HD2 ARG 12 HD2 ARG 12 -6.696 1.955 6.458
81 HD3 ARG 12 HD3 ARG 12 -5.214 1.607 7.348
82 HE ARG 12 HE ARG 12 -5.195 4.282 7.278
83 HH11 ARG 12 HH12 ARG 12 -7.701 2.007 8.094
84 HH12 ARG 12 HH11 ARG 12 -8.480 3.070 9.219
85 HH21 ARG 12 HH22 ARG 12 -6.212 5.691 8.756
86 HH22 ARG 12 HH21 ARG 12 -7.633 5.165 9.594
87 H LEU 13 H LEU 13 -4.121 -0.709 2.583
88 HA LEU 13 HA LEU 13 -2.164 -2.564 3.501
89 HB2 LEU 13 HB2 LEU 13 -4.390 -3.295 2.899
90 HB3 LEU 13 HB3 LEU 13 -4.158 -2.729 1.247
91 HG LEU 13 HG LEU 13 -2.148 -4.476 1.356
92 HD11 LEU 13 HD11 LEU 13 -3.949 -5.181 3.592
93 HD12 LEU 13 HD12 LEU 13 -2.224 -5.480 3.383
94 HD13 LEU 13 HD13 LEU 13 -3.402 -6.502 2.558
95 HD21 LEU 13 HD21 LEU 13 -3.974 -4.441 -0.277
96 HD22 LEU 13 HD22 LEU 13 -5.034 -5.225 0.894
97 HD23 LEU 13 HD23 LEU 13 -3.623 -6.080 0.271
98 H ARG 14 H ARG 14 -2.604 -0.698 0.540
99 HA ARG 14 HA ARG 14 -0.501 -1.918 -0.916
100 HB2 ARG 14 HB2 ARG 14 -0.992 -0.426 -2.580
101 HB3 ARG 14 HB3 ARG 14 -2.484 -0.322 -1.657
102 HG2 ARG 14 HG2 ARG 14 -1.788 1.713 -0.622
103 HG3 ARG 14 HG3 ARG 14 -0.168 1.565 -1.307
104 HD2 ARG 14 HD2 ARG 14 -0.873 2.128 -3.433
105 HD3 ARG 14 HD3 ARG 14 -2.537 1.637 -3.122
106 HE ARG 14 HE ARG 14 -2.965 3.719 -2.226
107 HH11 ARG 14 HH12 ARG 14 0.449 3.332 -2.788
108 HH12 ARG 14 HH11 ARG 14 0.814 5.006 -2.527
109 HH21 ARG 14 HH22 ARG 14 -2.497 5.925 -1.880
110 HH22 ARG 14 HH21 ARG 14 -0.862 6.479 -2.010
111 H LYS 15 H LYS 15 -0.665 0.839 1.262
112 HA LYS 15 HA LYS 15 1.890 1.899 0.751
113 HB2 LYS 15 HB2 LYS 15 0.183 3.151 1.966
114 HB3 LYS 15 HB3 LYS 15 0.231 1.981 3.278
115 HG2 LYS 15 HG2 LYS 15 1.494 3.765 4.065
116 HG3 LYS 15 HG3 LYS 15 2.703 2.611 3.498
117 HD2 LYS 15 HD2 LYS 15 2.431 3.977 1.250
118 HD3 LYS 15 HD3 LYS 15 1.894 5.240 2.360
119 HE2 LYS 15 HE2 LYS 15 4.011 4.808 3.670
120 HE3 LYS 15 HE3 LYS 15 4.543 3.811 2.318
121 HZ1 LYS 15 HZ1 LYS 15 3.605 6.420 1.543
122 HZ2 LYS 15 HZ2 LYS 15 5.015 5.601 1.094
123 HZ3 LYS 15 HZ3 LYS 15 4.965 6.465 2.548
124 H GLN 16 H GLN 16 0.781 -0.650 2.909
125 HA GLN 16 HA GLN 16 3.245 -0.958 4.295
126 HB2 GLN 16 HB2 GLN 16 0.699 -2.478 4.086
127 HB3 GLN 16 HB3 GLN 16 2.114 -3.354 4.654
128 HG2 GLN 16 HG2 GLN 16 1.119 -0.787 5.865
129 HG3 GLN 16 HG3 GLN 16 0.705 -2.395 6.458
130 HE21 GLN 16 HE21 GLN 16 2.192 -0.134 7.680
131 HE22 GLN 16 HE22 GLN 16 3.700 -0.808 8.186
132 H MET 17 H MET 17 1.746 -2.684 1.578
133 HA MET 17 HA MET 17 3.887 -4.521 1.238
134 HB2 MET 17 HB2 MET 17 1.792 -3.647 -0.759
135 HB3 MET 17 HB3 MET 17 2.811 -5.074 -0.892
136 HG2 MET 17 HG2 MET 17 1.738 -5.653 1.435
137 HG3 MET 17 HG3 MET 17 0.472 -4.567 0.867
138 HE1 MET 17 HE1 MET 17 0.827 -8.421 1.035
139 HE2 MET 17 HE2 MET 17 -0.148 -7.145 1.763
140 HE3 MET 17 HE3 MET 17 -0.853 -8.204 0.540
141 H ALA 18 H ALA 18 3.132 -1.364 -0.113
142 HA ALA 18 HA ALA 18 5.188 -1.411 -2.094
143 HB1 ALA 18 HB1 ALA 18 3.075 0.031 -2.058
144 HB2 ALA 18 HB2 ALA 18 3.970 1.086 -0.963
145 HB3 ALA 18 HB3 ALA 18 4.575 0.789 -2.593
146 H VAL 19 H VAL 19 5.043 -0.588 1.273
147 HA VAL 19 HA VAL 19 7.288 1.088 1.463
148 HB VAL 19 HB VAL 19 5.771 -0.607 3.380
149 HG11 VAL 19 HG11 VAL 19 8.558 0.409 3.844
150 HG12 VAL 19 HG12 VAL 19 7.424 0.151 5.172
151 HG13 VAL 19 HG13 VAL 19 7.906 -1.201 4.147
152 HG21 VAL 19 HG21 VAL 19 5.883 2.105 2.645
153 HG22 VAL 19 HG22 VAL 19 4.903 1.369 3.913
154 HG23 VAL 19 HG23 VAL 19 6.502 2.008 4.293
155 H LYS 20 H LYS 20 6.991 -2.436 1.823
156 HA LYS 20 HA LYS 20 9.725 -2.906 2.358
157 HB2 LYS 20 HB2 LYS 20 7.385 -4.572 1.581
158 HB3 LYS 20 HB3 LYS 20 8.985 -5.266 1.355
159 HG2 LYS 20 HG2 LYS 20 9.380 -5.438 3.581
160 HG3 LYS 20 HG3 LYS 20 8.414 -4.014 3.976
161 HD2 LYS 20 HD2 LYS 20 7.068 -6.468 2.931
162 HD3 LYS 20 HD3 LYS 20 7.568 -6.403 4.623
163 HE2 LYS 20 HE2 LYS 20 6.065 -4.089 3.519
164 HE3 LYS 20 HE3 LYS 20 5.175 -5.579 3.825
165 HZ1 LYS 20 HZ1 LYS 20 5.709 -5.503 6.092
166 HZ2 LYS 20 HZ2 LYS 20 5.273 -3.917 5.701
167 HZ3 LYS 20 HZ3 LYS 20 6.905 -4.327 5.875
168 H LYS 21 H LYS 21 7.851 -2.775 -0.620
169 HA LYS 21 HA LYS 21 9.855 -3.769 -2.345
170 HB2 LYS 21 HB2 LYS 21 7.487 -3.637 -2.985
171 HB3 LYS 21 HB3 LYS 21 7.570 -1.881 -2.946
172 HG2 LYS 21 HG2 LYS 21 7.718 -2.474 -5.210
173 HG3 LYS 21 HG3 LYS 21 9.364 -2.062 -4.723
174 HD2 LYS 21 HD2 LYS 21 9.767 -4.019 -5.836
175 HD3 LYS 21 HD3 LYS 21 9.482 -4.654 -4.213
176 HE2 LYS 21 HE2 LYS 21 7.388 -4.433 -6.373
177 HE3 LYS 21 HE3 LYS 21 8.283 -5.902 -5.987
178 HZ1 LYS 21 HZ1 LYS 21 6.372 -6.172 -4.772
179 HZ2 LYS 21 HZ2 LYS 21 6.214 -4.526 -4.417
180 HZ3 LYS 21 HZ3 LYS 21 7.379 -5.456 -3.616
181 H TYR 22 H TYR 22 8.998 -0.491 -1.319
182 HA TYR 22 HA TYR 22 10.860 0.839 -2.988
183 HB2 TYR 22 HB2 TYR 22 9.251 1.595 -0.583
184 HB3 TYR 22 HB3 TYR 22 10.545 2.665 -1.112
185 HD1 TYR 22 HD1 TYR 22 7.958 0.660 -2.927
186 HD2 TYR 22 HD2 TYR 22 9.686 4.486 -2.231
187 HE1 TYR 22 HE1 TYR 22 6.453 1.639 -4.608
188 HE2 TYR 22 HE2 TYR 22 8.185 5.475 -3.909
189 HH TYR 22 HH TYR 22 6.102 3.485 -5.913
190 H LEU 23 H LEU 23 10.962 0.067 0.491
191 HA LEU 23 HA LEU 23 13.589 0.981 0.913
192 HB2 LEU 23 HB2 LEU 23 13.504 -0.248 2.999
193 HB3 LEU 23 HB3 LEU 23 11.993 0.616 2.722
194 HG LEU 23 HG LEU 23 11.221 -1.717 1.771
195 HD11 LEU 23 HD11 LEU 23 13.723 -2.455 2.372
196 HD12 LEU 23 HD12 LEU 23 12.352 -3.563 2.416
197 HD13 LEU 23 HD13 LEU 23 12.934 -2.823 3.907
198 HD21 LEU 23 HD21 LEU 23 9.879 -1.263 3.491
199 HD22 LEU 23 HD22 LEU 23 11.167 -0.457 4.386
200 HD23 LEU 23 HD23 LEU 23 10.992 -2.210 4.478
201 H ASN 24 H ASN 24 12.311 -2.055 -0.247
202 HA ASN 24 HA ASN 24 14.641 -3.618 0.103
203 HB2 ASN 24 HB2 ASN 24 12.525 -4.708 -0.269
204 HB3 ASN 24 HB3 ASN 24 12.322 -3.893 -1.817
205 HD21 ASN 24 HD21 ASN 24 12.641 -5.184 -3.462
206 HD22 ASN 24 HD22 ASN 24 13.785 -6.476 -3.544
207 H SER 25 H SER 25 13.425 -1.713 -2.628
208 HA SER 25 HA SER 25 15.481 -2.401 -4.435
209 HB2 SER 25 HB2 SER 25 13.424 -1.440 -5.262
210 HB3 SER 25 HB3 SER 25 13.677 0.027 -4.316
211 HG SER 25 HG SER 25 14.362 -0.236 -6.739
212 H ILE 26 H ILE 26 15.040 0.492 -2.402
213 HA ILE 26 HA ILE 26 17.434 1.764 -3.078
214 HB ILE 26 HB ILE 26 15.708 1.903 -0.621
215 HG12 ILE 26 HG12 ILE 26 14.880 3.873 -1.532
216 HG13 ILE 26 HG13 ILE 26 16.327 4.158 -2.492
217 HG21 ILE 26 HG21 ILE 26 17.548 2.590 0.481
218 HG22 ILE 26 HG22 ILE 26 18.436 2.935 -1.003
219 HG23 ILE 26 HG23 ILE 26 17.263 4.099 -0.386
220 HD11 ILE 26 HD11 ILE 26 14.457 3.598 -3.912
221 HD12 ILE 26 HD12 ILE 26 15.678 2.327 -3.983
222 HD13 ILE 26 HD13 ILE 26 14.211 2.089 -3.033
223 H LEU 27 H LEU 27 16.712 -0.462 -0.404
224 HA LEU 27 HA LEU 27 19.394 -0.437 0.593
225 HB2 LEU 27 HB2 LEU 27 17.156 -2.386 1.120
226 HB3 LEU 27 HB3 LEU 27 18.649 -2.251 2.048
227 HG LEU 27 HG LEU 27 16.636 -0.021 1.834
228 HD11 LEU 27 HD11 LEU 27 16.385 -2.492 3.228
229 HD12 LEU 27 HD12 LEU 27 15.297 -1.104 3.226
230 HD13 LEU 27 HD13 LEU 27 16.608 -1.195 4.402
231 HD21 LEU 27 HD21 LEU 27 19.206 -0.446 3.210
232 HD22 LEU 27 HD22 LEU 27 17.931 0.294 4.177
233 HD23 LEU 27 HD23 LEU 27 18.440 1.046 2.665
234 H ASN 28 H ASN 28 17.614 -2.335 -1.718
235 HA ASN 28 HA ASN 28 19.169 -4.640 -1.827
236 HB2 ASN 28 HB2 ASN 28 17.220 -4.767 -3.085
237 HB3 ASN 28 HB3 ASN 28 17.472 -3.187 -3.823
238 HD21 ASN 28 HD21 ASN 28 17.884 -3.314 -5.895
239 HD22 ASN 28 HD22 ASN 28 18.778 -4.561 -6.688
240 H GLY 29 H GLY 29 19.772 -1.437 -3.082
241 HA2 GLY 29 HA2 GLY 29 22.511 -2.231 -3.701
242 HA3 GLY 29 HA3 GLY 29 21.562 -1.587 -5.033
Start of MODEL 11
1 H1 HIS 1 H HIS 1 -23.022 0.999 -2.732
2 HA HIS 1 HA HIS 1 -22.428 3.575 -3.222
3 HB2 HIS 1 HB2 HIS 1 -24.542 2.557 -2.146
4 HB3 HIS 1 HB3 HIS 1 -23.745 2.875 -0.608
5 HD1 HIS 1 HD1 HIS 1 -24.993 4.725 -3.667
6 HD2 HIS 1 HD2 HIS 1 -23.985 5.440 0.299
7 HE1 HIS 1 HE1 HIS 1 -25.675 7.103 -3.219
8 HE2 HIS 1 HE2 HIS 1 -24.978 7.540 -0.839
9 H SER 2 H SER 2 -21.736 2.016 -0.088
10 HA SER 2 HA SER 2 -20.000 4.233 0.646
11 HB2 SER 2 HB2 SER 2 -20.986 1.797 2.131
12 HB3 SER 2 HB3 SER 2 -19.768 2.882 2.801
13 HG SER 2 HG SER 2 -21.683 3.658 3.521
14 H ASP 3 H ASP 3 -18.963 2.996 -1.523
15 HA ASP 3 HA ASP 3 -17.165 0.882 -0.929
16 HB2 ASP 3 HB2 ASP 3 -16.792 2.871 -3.160
17 HB3 ASP 3 HB3 ASP 3 -16.321 1.175 -3.118
18 H ALA 4 H ALA 4 -17.161 4.019 0.099
19 HA ALA 4 HA ALA 4 -14.585 4.968 -0.180
20 HB1 ALA 4 HB1 ALA 4 -15.431 5.539 2.474
21 HB2 ALA 4 HB2 ALA 4 -15.443 6.594 1.060
22 HB3 ALA 4 HB3 ALA 4 -16.843 5.582 1.417
23 H VAL 5 H VAL 5 -15.835 2.902 2.443
24 HA VAL 5 HA VAL 5 -13.444 2.602 3.847
25 HB VAL 5 HB VAL 5 -15.365 1.870 4.967
26 HG11 VAL 5 HG11 VAL 5 -16.744 -0.063 4.018
27 HG12 VAL 5 HG12 VAL 5 -16.932 1.521 3.262
28 HG13 VAL 5 HG13 VAL 5 -15.943 0.283 2.486
29 HG21 VAL 5 HG21 VAL 5 -13.335 0.407 5.220
30 HG22 VAL 5 HG22 VAL 5 -14.868 -0.357 5.641
31 HG23 VAL 5 HG23 VAL 5 -14.097 -0.720 4.097
32 H PHE 6 H PHE 6 -14.723 0.813 1.091
33 HA PHE 6 HA PHE 6 -12.879 -1.293 1.070
34 HB2 PHE 6 HB2 PHE 6 -14.552 0.014 -1.054
35 HB3 PHE 6 HB3 PHE 6 -13.402 -1.250 -1.480
36 HD1 PHE 6 HD1 PHE 6 -16.362 -0.508 0.613
37 HD2 PHE 6 HD2 PHE 6 -13.920 -3.511 -1.157
38 HE1 PHE 6 HE1 PHE 6 -18.023 -2.216 1.228
39 HE2 PHE 6 HE2 PHE 6 -15.577 -5.223 -0.545
40 HZ PHE 6 HZ PHE 6 -17.632 -4.577 0.648
41 H THR 7 H THR 7 -12.825 1.743 -0.798
42 HA THR 7 HA THR 7 -10.246 1.312 -1.884
43 HB THR 7 HB THR 7 -11.931 2.873 -2.857
44 HG1 THR 7 HG1 THR 7 -9.321 3.810 -2.235
45 HG21 THR 7 HG21 THR 7 -11.149 4.570 -0.486
46 HG22 THR 7 HG22 THR 7 -12.758 3.966 -0.884
47 HG23 THR 7 HG23 THR 7 -11.995 5.183 -1.906
48 H ASP 8 H ASP 8 -11.405 2.987 0.991
49 HA ASP 8 HA ASP 8 -9.096 4.345 1.723
50 HB2 ASP 8 HB2 ASP 8 -11.517 4.215 2.798
51 HB3 ASP 8 HB3 ASP 8 -10.733 3.043 3.853
52 H ASN 9 H ASN 9 -10.019 0.985 2.300
53 HA ASN 9 HA ASN 9 -7.777 0.374 3.948
54 HB2 ASN 9 HB2 ASN 9 -9.915 -1.200 2.579
55 HB3 ASN 9 HB3 ASN 9 -8.480 -2.053 3.141
56 HD21 ASN 9 HD21 ASN 9 -10.580 0.530 4.382
57 HD22 ASN 9 HD22 ASN 9 -10.812 -0.178 5.940
58 H TYR 10 H TYR 10 -8.440 0.162 0.502
59 HA TYR 10 HA TYR 10 -6.162 -1.355 -0.204
60 HB2 TYR 10 HB2 TYR 10 -7.657 0.641 -1.915
61 HB3 TYR 10 HB3 TYR 10 -6.621 -0.662 -2.486
62 HD1 TYR 10 HD1 TYR 10 -7.751 -2.629 -0.287
63 HD2 TYR 10 HD2 TYR 10 -9.533 -0.155 -3.255
64 HE1 TYR 10 HE1 TYR 10 -9.693 -4.137 -0.371
65 HE2 TYR 10 HE2 TYR 10 -11.479 -1.656 -3.346
66 HH TYR 10 HH TYR 10 -12.132 -3.858 -2.810
67 H THR 11 H THR 11 -6.772 2.138 -0.125
68 HA THR 11 HA THR 11 -4.334 3.001 -1.169
69 HB THR 11 HB THR 11 -4.755 5.117 0.140
70 HG1 THR 11 HG1 THR 11 -6.872 5.171 1.163
71 HG21 THR 11 HG21 THR 11 -6.825 3.896 -1.658
72 HG22 THR 11 HG22 THR 11 -5.625 5.134 -2.028
73 HG23 THR 11 HG23 THR 11 -7.021 5.530 -1.025
74 H ARG 12 H ARG 12 -5.259 2.289 2.179
75 HA ARG 12 HA ARG 12 -2.740 3.036 3.286
76 HB2 ARG 12 HB2 ARG 12 -3.574 1.856 5.321
77 HB3 ARG 12 HB3 ARG 12 -4.682 3.072 4.700
78 HG2 ARG 12 HG2 ARG 12 -5.998 1.298 3.624
79 HG3 ARG 12 HG3 ARG 12 -4.904 0.095 4.311
80 HD2 ARG 12 HD2 ARG 12 -5.522 1.357 6.555
81 HD3 ARG 12 HD3 ARG 12 -6.968 1.773 5.636
82 HE ARG 12 HE ARG 12 -7.638 -0.432 5.725
83 HH11 ARG 12 HH12 ARG 12 -4.375 -0.121 6.898
84 HH12 ARG 12 HH11 ARG 12 -4.314 -1.730 7.539
85 HH21 ARG 12 HH22 ARG 12 -7.570 -2.551 6.565
86 HH22 ARG 12 HH21 ARG 12 -6.131 -3.111 7.349
87 H LEU 13 H LEU 13 -4.220 -0.062 2.400
88 HA LEU 13 HA LEU 13 -2.194 -1.750 3.314
89 HB2 LEU 13 HB2 LEU 13 -4.320 -2.632 2.651
90 HB3 LEU 13 HB3 LEU 13 -4.105 -2.041 1.004
91 HG LEU 13 HG LEU 13 -2.021 -3.666 1.068
92 HD11 LEU 13 HD11 LEU 13 -3.086 -5.757 2.344
93 HD12 LEU 13 HD12 LEU 13 -3.673 -4.461 3.386
94 HD13 LEU 13 HD13 LEU 13 -1.943 -4.649 3.104
95 HD21 LEU 13 HD21 LEU 13 -3.305 -4.453 -0.565
96 HD22 LEU 13 HD22 LEU 13 -4.771 -3.876 0.228
97 HD23 LEU 13 HD23 LEU 13 -4.111 -5.460 0.637
98 H ARG 14 H ARG 14 -2.507 0.050 0.307
99 HA ARG 14 HA ARG 14 -0.437 -1.146 -1.141
100 HB2 ARG 14 HB2 ARG 14 -2.209 0.628 -1.850
101 HB3 ARG 14 HB3 ARG 14 -1.000 1.794 -1.331
102 HG2 ARG 14 HG2 ARG 14 0.551 0.316 -2.893
103 HG3 ARG 14 HG3 ARG 14 -1.000 -0.034 -3.660
104 HD2 ARG 14 HD2 ARG 14 -0.238 1.832 -4.820
105 HD3 ARG 14 HD3 ARG 14 -1.344 2.517 -3.630
106 HE ARG 14 HE ARG 14 1.320 2.455 -2.645
107 HH11 ARG 14 HH12 ARG 14 -0.804 4.185 -4.793
108 HH12 ARG 14 HH11 ARG 14 0.060 5.680 -4.655
109 HH21 ARG 14 HH22 ARG 14 2.467 4.417 -2.455
110 HH22 ARG 14 HH21 ARG 14 1.922 5.810 -3.325
111 H LYS 15 H LYS 15 -0.389 1.388 1.297
112 HA LYS 15 HA LYS 15 2.245 2.272 0.954
113 HB2 LYS 15 HB2 LYS 15 0.461 3.339 2.383
114 HB3 LYS 15 HB3 LYS 15 0.772 2.093 3.585
115 HG2 LYS 15 HG2 LYS 15 1.924 4.442 3.733
116 HG3 LYS 15 HG3 LYS 15 2.792 2.972 4.181
117 HD2 LYS 15 HD2 LYS 15 4.007 2.948 2.173
118 HD3 LYS 15 HD3 LYS 15 2.907 4.088 1.394
119 HE2 LYS 15 HE2 LYS 15 5.094 5.078 2.052
120 HE3 LYS 15 HE3 LYS 15 3.698 5.884 2.767
121 HZ1 LYS 15 HZ1 LYS 15 4.795 5.631 4.676
122 HZ2 LYS 15 HZ2 LYS 15 5.851 4.470 4.045
123 HZ3 LYS 15 HZ3 LYS 15 4.325 4.007 4.609
124 H GLN 16 H GLN 16 0.930 -0.349 2.945
125 HA GLN 16 HA GLN 16 3.330 -1.068 4.214
126 HB2 GLN 16 HB2 GLN 16 0.742 -2.466 3.668
127 HB3 GLN 16 HB3 GLN 16 2.100 -3.391 4.294
128 HG2 GLN 16 HG2 GLN 16 0.842 -0.982 5.587
129 HG3 GLN 16 HG3 GLN 16 0.650 -2.661 6.089
130 HE21 GLN 16 HE21 GLN 16 3.060 -3.703 6.125
131 HE22 GLN 16 HE22 GLN 16 4.123 -2.847 7.183
132 H MET 17 H MET 17 1.811 -2.287 1.243
133 HA MET 17 HA MET 17 3.850 -4.185 0.684
134 HB2 MET 17 HB2 MET 17 1.820 -2.907 -1.155
135 HB3 MET 17 HB3 MET 17 2.816 -4.298 -1.561
136 HG2 MET 17 HG2 MET 17 1.719 -5.259 0.647
137 HG3 MET 17 HG3 MET 17 0.460 -4.102 0.222
138 HE1 MET 17 HE1 MET 17 -1.505 -5.542 -2.409
139 HE2 MET 17 HE2 MET 17 -1.072 -4.184 -1.370
140 HE3 MET 17 HE3 MET 17 -0.318 -4.357 -2.956
141 H ALA 18 H ALA 18 3.321 -0.827 -0.210
142 HA ALA 18 HA ALA 18 5.430 -0.717 -2.133
143 HB1 ALA 18 HB1 ALA 18 3.339 0.859 -1.707
144 HB2 ALA 18 HB2 ALA 18 4.528 1.754 -0.760
145 HB3 ALA 18 HB3 ALA 18 4.815 1.447 -2.473
146 H VAL 19 H VAL 19 5.178 -0.153 1.316
147 HA VAL 19 HA VAL 19 7.595 1.221 1.712
148 HB VAL 19 HB VAL 19 5.790 -0.380 3.458
149 HG11 VAL 19 HG11 VAL 19 8.643 0.292 4.093
150 HG12 VAL 19 HG12 VAL 19 7.426 0.151 5.363
151 HG13 VAL 19 HG13 VAL 19 7.784 -1.230 4.326
152 HG21 VAL 19 HG21 VAL 19 5.348 1.630 4.468
153 HG22 VAL 19 HG22 VAL 19 6.952 2.279 4.131
154 HG23 VAL 19 HG23 VAL 19 5.754 2.177 2.841
155 H LYS 20 H LYS 20 6.853 -2.252 1.860
156 HA LYS 20 HA LYS 20 9.475 -3.083 2.506
157 HB2 LYS 20 HB2 LYS 20 7.005 -4.412 1.499
158 HB3 LYS 20 HB3 LYS 20 8.525 -5.284 1.349
159 HG2 LYS 20 HG2 LYS 20 8.746 -5.572 3.593
160 HG3 LYS 20 HG3 LYS 20 7.885 -4.080 3.982
161 HD2 LYS 20 HD2 LYS 20 6.505 -6.478 2.801
162 HD3 LYS 20 HD3 LYS 20 6.708 -6.266 4.542
163 HE2 LYS 20 HE2 LYS 20 5.683 -3.892 4.018
164 HE3 LYS 20 HE3 LYS 20 5.029 -4.737 2.616
165 HZ1 LYS 20 HZ1 LYS 20 3.624 -4.684 4.715
166 HZ2 LYS 20 HZ2 LYS 20 4.714 -5.811 5.351
167 HZ3 LYS 20 HZ3 LYS 20 3.823 -6.187 3.963
168 H LYS 21 H LYS 21 7.770 -2.721 -0.573
169 HA LYS 21 HA LYS 21 9.812 -3.793 -2.204
170 HB2 LYS 21 HB2 LYS 21 7.499 -1.943 -2.738
171 HB3 LYS 21 HB3 LYS 21 8.632 -2.382 -4.008
172 HG2 LYS 21 HG2 LYS 21 7.363 -4.551 -2.417
173 HG3 LYS 21 HG3 LYS 21 6.406 -3.720 -3.645
174 HD2 LYS 21 HD2 LYS 21 9.128 -4.839 -4.249
175 HD3 LYS 21 HD3 LYS 21 7.672 -5.832 -4.351
176 HE2 LYS 21 HE2 LYS 21 6.714 -4.207 -5.940
177 HE3 LYS 21 HE3 LYS 21 8.213 -3.282 -5.871
178 HZ1 LYS 21 HZ1 LYS 21 9.331 -5.409 -6.614
179 HZ2 LYS 21 HZ2 LYS 21 8.388 -4.612 -7.769
180 HZ3 LYS 21 HZ3 LYS 21 7.786 -5.987 -6.988
181 H TYR 22 H TYR 22 9.178 -0.560 -0.976
182 HA TYR 22 HA TYR 22 11.118 0.763 -2.579
183 HB2 TYR 22 HB2 TYR 22 9.546 1.470 -0.133
184 HB3 TYR 22 HB3 TYR 22 10.902 2.489 -0.602
185 HD1 TYR 22 HD1 TYR 22 8.408 0.717 -2.732
186 HD2 TYR 22 HD2 TYR 22 9.947 4.454 -1.403
187 HE1 TYR 22 HE1 TYR 22 6.966 1.879 -4.350
188 HE2 TYR 22 HE2 TYR 22 8.508 5.627 -3.016
189 HH TYR 22 HH TYR 22 5.995 4.033 -4.737
190 H LEU 23 H LEU 23 11.137 -0.222 0.848
191 HA LEU 23 HA LEU 23 13.772 0.515 1.404
192 HB2 LEU 23 HB2 LEU 23 13.621 -1.103 3.273
193 HB3 LEU 23 HB3 LEU 23 12.260 0.013 3.182
194 HG LEU 23 HG LEU 23 11.087 -1.944 1.925
195 HD11 LEU 23 HD11 LEU 23 12.605 -3.786 3.616
196 HD12 LEU 23 HD12 LEU 23 13.512 -3.143 2.247
197 HD13 LEU 23 HD13 LEU 23 11.990 -3.990 1.975
198 HD21 LEU 23 HD21 LEU 23 11.407 -1.288 4.740
199 HD22 LEU 23 HD22 LEU 23 10.927 -2.965 4.480
200 HD23 LEU 23 HD23 LEU 23 9.947 -1.654 3.821
201 H ASN 24 H ASN 24 12.453 -2.398 -0.043
202 HA ASN 24 HA ASN 24 14.846 -3.928 0.087
203 HB2 ASN 24 HB2 ASN 24 12.682 -5.015 -0.187
204 HB3 ASN 24 HB3 ASN 24 12.436 -4.192 -1.725
205 HD21 ASN 24 HD21 ASN 24 13.132 -5.139 -3.521
206 HD22 ASN 24 HD22 ASN 24 14.130 -6.549 -3.585
207 H SER 25 H SER 25 13.485 -1.697 -2.258
208 HA SER 25 HA SER 25 15.313 -2.285 -4.354
209 HB2 SER 25 HB2 SER 25 13.195 -1.200 -4.846
210 HB3 SER 25 HB3 SER 25 13.627 0.176 -3.831
211 HG SER 25 HG SER 25 14.000 0.585 -6.056
212 H ILE 26 H ILE 26 15.202 0.241 -1.863
213 HA ILE 26 HA ILE 26 17.588 1.536 -2.690
214 HB ILE 26 HB ILE 26 15.995 1.604 -0.143
215 HG12 ILE 26 HG12 ILE 26 15.262 3.694 -0.876
216 HG13 ILE 26 HG13 ILE 26 16.653 3.923 -1.929
217 HG21 ILE 26 HG21 ILE 26 18.080 1.971 0.775
218 HG22 ILE 26 HG22 ILE 26 18.701 2.746 -0.681
219 HG23 ILE 26 HG23 ILE 26 17.574 3.610 0.365
220 HD11 ILE 26 HD11 ILE 26 15.781 2.394 -3.530
221 HD12 ILE 26 HD12 ILE 26 14.489 1.901 -2.435
222 HD13 ILE 26 HD13 ILE 26 14.500 3.531 -3.108
223 H LEU 27 H LEU 27 16.898 -1.131 -0.536
224 HA LEU 27 HA LEU 27 19.549 -1.192 0.592
225 HB2 LEU 27 HB2 LEU 27 17.292 -3.188 0.702
226 HB3 LEU 27 HB3 LEU 27 18.795 -3.313 1.614
227 HG LEU 27 HG LEU 27 17.077 -0.894 1.953
228 HD11 LEU 27 HD11 LEU 27 15.412 -1.942 2.985
229 HD12 LEU 27 HD12 LEU 27 16.524 -2.950 3.910
230 HD13 LEU 27 HD13 LEU 27 16.031 -3.440 2.290
231 HD21 LEU 27 HD21 LEU 27 19.465 -1.518 2.965
232 HD22 LEU 27 HD22 LEU 27 18.444 -2.307 4.167
233 HD23 LEU 27 HD23 LEU 27 18.268 -0.579 3.858
234 H ASN 28 H ASN 28 17.736 -3.033 -1.827
235 HA ASN 28 HA ASN 28 20.001 -4.745 -2.390
236 HB2 ASN 28 HB2 ASN 28 18.557 -6.036 -3.632
237 HB3 ASN 28 HB3 ASN 28 17.408 -5.267 -2.541
238 HD21 ASN 28 HD21 ASN 28 15.641 -4.685 -3.551
239 HD22 ASN 28 HD22 ASN 28 15.541 -4.042 -5.151
240 H GLY 29 H GLY 29 18.728 -1.758 -3.506
241 HA2 GLY 29 HA2 GLY 29 20.440 -0.468 -4.804
242 HA3 GLY 29 HA3 GLY 29 20.514 -1.873 -5.857
Start of MODEL 12
1 H1 HIS 1 H HIS 1 -23.433 4.152 -1.724
2 HA HIS 1 HA HIS 1 -22.602 6.768 -1.550
3 HB2 HIS 1 HB2 HIS 1 -24.738 5.711 -0.632
4 HB3 HIS 1 HB3 HIS 1 -23.794 5.291 0.794
5 HD1 HIS 1 HD1 HIS 1 -23.652 8.572 -1.094
6 HD2 HIS 1 HD2 HIS 1 -24.832 7.062 2.593
7 HE1 HIS 1 HE1 HIS 1 -24.229 10.582 0.303
8 HE2 HIS 1 HE2 HIS 1 -24.858 9.649 2.556
9 H SER 2 H SER 2 -21.776 4.130 0.698
10 HA SER 2 HA SER 2 -19.579 5.796 1.726
11 HB2 SER 2 HB2 SER 2 -20.991 3.419 2.958
12 HB3 SER 2 HB3 SER 2 -19.589 4.217 3.669
13 HG SER 2 HG SER 2 -22.155 5.320 3.190
14 H ASP 3 H ASP 3 -18.102 5.336 0.075
15 HA ASP 3 HA ASP 3 -17.102 2.562 0.059
16 HB2 ASP 3 HB2 ASP 3 -17.473 4.533 -2.158
17 HB3 ASP 3 HB3 ASP 3 -16.142 3.383 -2.261
18 H ALA 4 H ALA 4 -16.431 5.804 0.755
19 HA ALA 4 HA ALA 4 -13.761 6.156 0.203
20 HB1 ALA 4 HB1 ALA 4 -15.672 7.269 2.084
21 HB2 ALA 4 HB2 ALA 4 -14.025 7.267 2.717
22 HB3 ALA 4 HB3 ALA 4 -14.379 8.060 1.182
23 H VAL 5 H VAL 5 -15.168 4.582 3.067
24 HA VAL 5 HA VAL 5 -12.736 3.968 4.334
25 HB VAL 5 HB VAL 5 -14.878 3.871 5.512
26 HG11 VAL 5 HG11 VAL 5 -16.600 2.452 5.015
27 HG12 VAL 5 HG12 VAL 5 -15.939 2.697 3.397
28 HG13 VAL 5 HG13 VAL 5 -15.540 1.236 4.302
29 HG21 VAL 5 HG21 VAL 5 -14.422 1.970 6.852
30 HG22 VAL 5 HG22 VAL 5 -13.646 1.124 5.514
31 HG23 VAL 5 HG23 VAL 5 -12.866 2.530 6.238
32 H PHE 6 H PHE 6 -14.658 2.214 1.952
33 HA PHE 6 HA PHE 6 -13.264 -0.223 2.048
34 HB2 PHE 6 HB2 PHE 6 -14.957 1.126 -0.032
35 HB3 PHE 6 HB3 PHE 6 -14.120 -0.376 -0.409
36 HD1 PHE 6 HD1 PHE 6 -16.667 1.173 1.752
37 HD2 PHE 6 HD2 PHE 6 -14.886 -2.458 0.424
38 HE1 PHE 6 HE1 PHE 6 -18.499 -0.102 2.789
39 HE2 PHE 6 HE2 PHE 6 -16.715 -3.738 1.458
40 HZ PHE 6 HZ PHE 6 -18.525 -2.560 2.642
41 H THR 7 H THR 7 -12.914 2.501 -0.224
42 HA THR 7 HA THR 7 -10.649 1.440 -1.543
43 HB THR 7 HB THR 7 -12.039 3.157 -2.589
44 HG1 THR 7 HG1 THR 7 -9.569 2.973 -2.844
45 HG21 THR 7 HG21 THR 7 -12.087 5.427 -1.853
46 HG22 THR 7 HG22 THR 7 -10.856 5.119 -0.628
47 HG23 THR 7 HG23 THR 7 -12.466 4.422 -0.455
48 H ASP 8 H ASP 8 -11.024 3.666 1.173
49 HA ASP 8 HA ASP 8 -8.393 4.525 1.435
50 HB2 ASP 8 HB2 ASP 8 -9.816 5.675 2.834
51 HB3 ASP 8 HB3 ASP 8 -10.692 4.223 3.311
52 H ASN 9 H ASN 9 -9.919 1.539 2.486
53 HA ASN 9 HA ASN 9 -7.725 0.634 4.064
54 HB2 ASN 9 HB2 ASN 9 -10.250 -0.129 4.013
55 HB3 ASN 9 HB3 ASN 9 -9.660 -1.274 2.811
56 HD21 ASN 9 HD21 ASN 9 -10.102 -0.685 6.064
57 HD22 ASN 9 HD22 ASN 9 -9.119 -1.956 6.699
58 H TYR 10 H TYR 10 -8.811 -0.014 0.752
59 HA TYR 10 HA TYR 10 -6.861 -1.934 0.115
60 HB2 TYR 10 HB2 TYR 10 -8.219 0.011 -1.762
61 HB3 TYR 10 HB3 TYR 10 -7.437 -1.500 -2.213
62 HD1 TYR 10 HD1 TYR 10 -8.487 -3.216 0.041
63 HD2 TYR 10 HD2 TYR 10 -10.420 -0.405 -2.502
64 HE1 TYR 10 HE1 TYR 10 -10.614 -4.411 0.348
65 HE2 TYR 10 HE2 TYR 10 -12.553 -1.592 -2.202
66 HH TYR 10 HH TYR 10 -13.031 -3.937 0.191
67 H THR 11 H THR 11 -6.916 1.582 -0.370
68 HA THR 11 HA THR 11 -4.409 1.761 -1.651
69 HB THR 11 HB THR 11 -6.139 3.562 -1.673
70 HG1 THR 11 HG1 THR 11 -4.139 4.216 -2.330
71 HG21 THR 11 HG21 THR 11 -6.748 3.522 0.692
72 HG22 THR 11 HG22 THR 11 -6.209 5.133 0.215
73 HG23 THR 11 HG23 THR 11 -5.132 4.076 1.128
74 H ARG 12 H ARG 12 -5.369 1.996 1.745
75 HA ARG 12 HA ARG 12 -2.849 2.755 2.758
76 HB2 ARG 12 HB2 ARG 12 -4.976 2.958 4.014
77 HB3 ARG 12 HB3 ARG 12 -5.039 1.207 4.153
78 HG2 ARG 12 HG2 ARG 12 -3.060 1.182 5.506
79 HG3 ARG 12 HG3 ARG 12 -2.812 2.910 5.246
80 HD2 ARG 12 HD2 ARG 12 -5.401 2.017 6.404
81 HD3 ARG 12 HD3 ARG 12 -3.971 1.978 7.435
82 HE ARG 12 HE ARG 12 -5.370 4.309 6.492
83 HH11 ARG 12 HH12 ARG 12 -2.350 3.062 7.694
84 HH12 ARG 12 HH11 ARG 12 -1.798 4.597 8.277
85 HH21 ARG 12 HH22 ARG 12 -4.655 6.336 7.256
86 HH22 ARG 12 HH21 ARG 12 -3.110 6.458 8.028
87 H LEU 13 H LEU 13 -4.354 -0.403 2.242
88 HA LEU 13 HA LEU 13 -2.322 -1.940 3.459
89 HB2 LEU 13 HB2 LEU 13 -4.537 -2.834 3.028
90 HB3 LEU 13 HB3 LEU 13 -4.287 -2.667 1.291
91 HG LEU 13 HG LEU 13 -2.275 -4.298 1.751
92 HD11 LEU 13 HD11 LEU 13 -2.467 -4.337 4.157
93 HD12 LEU 13 HD12 LEU 13 -2.847 -5.931 3.506
94 HD13 LEU 13 HD13 LEU 13 -4.146 -4.866 4.045
95 HD21 LEU 13 HD21 LEU 13 -4.221 -6.168 1.704
96 HD22 LEU 13 HD22 LEU 13 -3.719 -5.230 0.296
97 HD23 LEU 13 HD23 LEU 13 -5.137 -4.739 1.224
98 H ARG 14 H ARG 14 -2.803 -0.790 0.159
99 HA ARG 14 HA ARG 14 -0.755 -2.250 -1.079
100 HB2 ARG 14 HB2 ARG 14 -2.644 -0.657 -2.033
101 HB3 ARG 14 HB3 ARG 14 -1.350 0.533 -1.976
102 HG2 ARG 14 HG2 ARG 14 0.042 -0.981 -3.354
103 HG3 ARG 14 HG3 ARG 14 -1.341 -2.070 -3.486
104 HD2 ARG 14 HD2 ARG 14 -1.708 0.792 -4.213
105 HD3 ARG 14 HD3 ARG 14 -0.833 -0.253 -5.331
106 HE ARG 14 HE ARG 14 -3.655 -0.335 -4.710
107 HH11 ARG 14 HH12 ARG 14 -0.925 -2.014 -6.068
108 HH12 ARG 14 HH11 ARG 14 -1.893 -3.079 -7.032
109 HH21 ARG 14 HH22 ARG 14 -4.941 -1.731 -5.975
110 HH22 ARG 14 HH21 ARG 14 -4.178 -2.916 -6.979
111 H LYS 15 H LYS 15 -0.716 0.805 0.672
112 HA LYS 15 HA LYS 15 1.874 1.639 0.008
113 HB2 LYS 15 HB2 LYS 15 0.344 3.156 1.086
114 HB3 LYS 15 HB3 LYS 15 0.225 2.111 2.495
115 HG2 LYS 15 HG2 LYS 15 1.654 3.757 3.229
116 HG3 LYS 15 HG3 LYS 15 2.779 2.508 2.692
117 HD2 LYS 15 HD2 LYS 15 1.920 4.557 0.717
118 HD3 LYS 15 HD3 LYS 15 3.058 5.045 1.976
119 HE2 LYS 15 HE2 LYS 15 4.724 3.698 1.182
120 HE3 LYS 15 HE3 LYS 15 3.600 2.516 0.513
121 HZ1 LYS 15 HZ1 LYS 15 3.853 5.216 -0.657
122 HZ2 LYS 15 HZ2 LYS 15 3.244 3.808 -1.369
123 HZ3 LYS 15 HZ3 LYS 15 4.907 3.969 -1.102
124 H GLN 16 H GLN 16 0.703 -0.536 2.526
125 HA GLN 16 HA GLN 16 3.159 -0.818 3.896
126 HB2 GLN 16 HB2 GLN 16 0.633 -2.429 3.766
127 HB3 GLN 16 HB3 GLN 16 2.040 -3.064 4.609
128 HG2 GLN 16 HG2 GLN 16 1.111 -0.315 5.255
129 HG3 GLN 16 HG3 GLN 16 0.196 -1.691 5.869
130 HE21 GLN 16 HE21 GLN 16 3.279 -0.053 5.902
131 HE22 GLN 16 HE22 GLN 16 3.874 -0.786 7.349
132 H MET 17 H MET 17 1.615 -2.762 1.355
133 HA MET 17 HA MET 17 3.712 -4.674 1.200
134 HB2 MET 17 HB2 MET 17 1.774 -4.002 -1.009
135 HB3 MET 17 HB3 MET 17 2.585 -5.534 -0.712
136 HG2 MET 17 HG2 MET 17 0.791 -4.471 1.398
137 HG3 MET 17 HG3 MET 17 0.062 -5.136 -0.062
138 HE1 MET 17 HE1 MET 17 1.214 -8.815 -0.068
139 HE2 MET 17 HE2 MET 17 0.442 -7.493 -0.943
140 HE3 MET 17 HE3 MET 17 2.199 -7.543 -0.792
141 H ALA 18 H ALA 18 3.030 -1.647 -0.452
142 HA ALA 18 HA ALA 18 5.075 -1.936 -2.423
143 HB1 ALA 18 HB1 ALA 18 4.334 0.031 -3.260
144 HB2 ALA 18 HB2 ALA 18 2.939 -0.334 -2.244
145 HB3 ALA 18 HB3 ALA 18 4.181 0.778 -1.669
146 H VAL 19 H VAL 19 4.974 -0.802 0.853
147 HA VAL 19 HA VAL 19 7.258 0.828 0.882
148 HB VAL 19 HB VAL 19 5.718 -0.658 2.948
149 HG11 VAL 19 HG11 VAL 19 7.868 -1.234 3.722
150 HG12 VAL 19 HG12 VAL 19 8.524 0.356 3.327
151 HG13 VAL 19 HG13 VAL 19 7.390 0.176 4.667
152 HG21 VAL 19 HG21 VAL 19 5.941 1.997 1.993
153 HG22 VAL 19 HG22 VAL 19 4.886 1.377 3.263
154 HG23 VAL 19 HG23 VAL 19 6.490 1.988 3.669
155 H LYS 20 H LYS 20 6.867 -2.659 1.266
156 HA LYS 20 HA LYS 20 9.450 -3.309 2.090
157 HB2 LYS 20 HB2 LYS 20 7.434 -4.843 0.453
158 HB3 LYS 20 HB3 LYS 20 8.962 -5.542 0.973
159 HG2 LYS 20 HG2 LYS 20 7.754 -6.237 2.728
160 HG3 LYS 20 HG3 LYS 20 8.036 -4.599 3.324
161 HD2 LYS 20 HD2 LYS 20 5.861 -4.110 1.882
162 HD3 LYS 20 HD3 LYS 20 5.571 -5.822 2.201
163 HE2 LYS 20 HE2 LYS 20 5.863 -3.571 4.169
164 HE3 LYS 20 HE3 LYS 20 4.500 -4.668 3.950
165 HZ1 LYS 20 HZ1 LYS 20 6.505 -4.940 5.777
166 HZ2 LYS 20 HZ2 LYS 20 6.924 -6.051 4.574
167 HZ3 LYS 20 HZ3 LYS 20 5.409 -6.145 5.320
168 H LYS 21 H LYS 21 8.122 -3.006 -1.188
169 HA LYS 21 HA LYS 21 10.475 -3.735 -2.557
170 HB2 LYS 21 HB2 LYS 21 7.934 -2.362 -3.264
171 HB3 LYS 21 HB3 LYS 21 9.288 -2.164 -4.368
172 HG2 LYS 21 HG2 LYS 21 8.566 -4.904 -3.456
173 HG3 LYS 21 HG3 LYS 21 7.568 -4.111 -4.678
174 HD2 LYS 21 HD2 LYS 21 9.528 -3.784 -6.087
175 HD3 LYS 21 HD3 LYS 21 10.554 -4.522 -4.855
176 HE2 LYS 21 HE2 LYS 21 10.079 -6.146 -6.569
177 HE3 LYS 21 HE3 LYS 21 9.254 -6.613 -5.082
178 HZ1 LYS 21 HZ1 LYS 21 7.697 -4.959 -6.873
179 HZ2 LYS 21 HZ2 LYS 21 7.250 -6.346 -6.016
180 HZ3 LYS 21 HZ3 LYS 21 8.079 -6.490 -7.483
181 H TYR 22 H TYR 22 9.295 -0.655 -1.335
182 HA TYR 22 HA TYR 22 11.132 1.028 -2.628
183 HB2 TYR 22 HB2 TYR 22 9.454 1.249 -0.161
184 HB3 TYR 22 HB3 TYR 22 10.685 2.469 -0.467
185 HD1 TYR 22 HD1 TYR 22 8.331 0.671 -2.747
186 HD2 TYR 22 HD2 TYR 22 9.639 4.404 -1.177
187 HE1 TYR 22 HE1 TYR 22 6.785 1.842 -4.259
188 HE2 TYR 22 HE2 TYR 22 8.096 5.585 -2.685
189 HH TYR 22 HH TYR 22 6.498 4.022 -5.271
190 H LEU 23 H LEU 23 11.250 -0.429 0.620
191 HA LEU 23 HA LEU 23 13.856 0.551 1.203
192 HB2 LEU 23 HB2 LEU 23 12.597 -1.852 2.483
193 HB3 LEU 23 HB3 LEU 23 13.737 -0.705 3.185
194 HG LEU 23 HG LEU 23 10.925 0.055 2.429
195 HD11 LEU 23 HD11 LEU 23 10.448 -0.165 4.874
196 HD12 LEU 23 HD12 LEU 23 11.970 -1.041 5.031
197 HD13 LEU 23 HD13 LEU 23 10.677 -1.695 4.026
198 HD21 LEU 23 HD21 LEU 23 11.464 2.084 3.162
199 HD22 LEU 23 HD22 LEU 23 13.146 1.553 3.159
200 HD23 LEU 23 HD23 LEU 23 12.186 1.435 4.635
201 H ASN 24 H ASN 24 12.605 -2.377 -0.254
202 HA ASN 24 HA ASN 24 14.916 -3.964 -0.083
203 HB2 ASN 24 HB2 ASN 24 12.512 -4.606 -0.807
204 HB3 ASN 24 HB3 ASN 24 13.019 -4.094 -2.414
205 HD21 ASN 24 HD21 ASN 24 15.111 -5.080 -3.164
206 HD22 ASN 24 HD22 ASN 24 15.345 -6.758 -2.825
207 H SER 25 H SER 25 13.808 -1.720 -2.598
208 HA SER 25 HA SER 25 16.014 -2.175 -4.333
209 HB2 SER 25 HB2 SER 25 13.842 -0.115 -4.165
210 HB3 SER 25 HB3 SER 25 15.206 0.148 -5.251
211 HG SER 25 HG SER 25 14.197 -1.120 -6.573
212 H ILE 26 H ILE 26 15.225 0.507 -2.125
213 HA ILE 26 HA ILE 26 17.590 1.960 -2.512
214 HB ILE 26 HB ILE 26 15.633 1.855 -0.234
215 HG12 ILE 26 HG12 ILE 26 14.788 3.833 -1.106
216 HG13 ILE 26 HG13 ILE 26 16.307 4.258 -1.887
217 HG21 ILE 26 HG21 ILE 26 17.506 2.425 0.985
218 HG22 ILE 26 HG22 ILE 26 18.262 3.264 -0.369
219 HG23 ILE 26 HG23 ILE 26 16.909 4.007 0.484
220 HD11 ILE 26 HD11 ILE 26 15.928 2.548 -3.573
221 HD12 ILE 26 HD12 ILE 26 14.417 2.095 -2.783
222 HD13 ILE 26 HD13 ILE 26 14.588 3.692 -3.510
223 H LEU 27 H LEU 27 16.739 -0.262 0.147
224 HA LEU 27 HA LEU 27 19.248 -0.207 1.400
225 HB2 LEU 27 HB2 LEU 27 17.229 -2.445 1.383
226 HB3 LEU 27 HB3 LEU 27 18.531 -2.228 2.551
227 HG LEU 27 HG LEU 27 16.357 -0.182 2.215
228 HD11 LEU 27 HD11 LEU 27 16.330 -2.698 3.859
229 HD12 LEU 27 HD12 LEU 27 15.126 -2.134 2.701
230 HD13 LEU 27 HD13 LEU 27 15.330 -1.295 4.239
231 HD21 LEU 27 HD21 LEU 27 17.552 -0.681 4.832
232 HD22 LEU 27 HD22 LEU 27 17.295 0.837 3.971
233 HD23 LEU 27 HD23 LEU 27 18.712 -0.152 3.613
234 H ASN 28 H ASN 28 17.986 -2.166 -1.225
235 HA ASN 28 HA ASN 28 19.934 -4.157 -1.314
236 HB2 ASN 28 HB2 ASN 28 18.129 -4.565 -2.715
237 HB3 ASN 28 HB3 ASN 28 18.124 -2.926 -3.357
238 HD21 ASN 28 HD21 ASN 28 20.202 -5.796 -3.232
239 HD22 ASN 28 HD22 ASN 28 20.770 -5.666 -4.858
240 H GLY 29 H GLY 29 19.998 -0.844 -2.452
241 HA2 GLY 29 HA2 GLY 29 22.287 -1.040 -4.099
242 HA3 GLY 29 HA3 GLY 29 21.672 0.434 -3.367
Start of MODEL 13
1 H1 HIS 1 H HIS 1 -21.968 0.600 4.915
2 HA HIS 1 HA HIS 1 -22.629 0.333 2.521
3 HB2 HIS 1 HB2 HIS 1 -24.212 1.238 4.325
4 HB3 HIS 1 HB3 HIS 1 -23.873 2.832 3.657
5 HD1 HIS 1 HD1 HIS 1 -24.669 -0.461 1.916
6 HD2 HIS 1 HD2 HIS 1 -26.033 3.455 2.162
7 HE1 HIS 1 HE1 HIS 1 -26.563 -0.304 0.268
8 HE2 HIS 1 HE2 HIS 1 -27.316 2.097 0.373
9 H SER 2 H SER 2 -20.119 1.481 2.250
10 HA SER 2 HA SER 2 -20.529 3.124 -0.052
11 HB2 SER 2 HB2 SER 2 -19.706 4.367 2.527
12 HB3 SER 2 HB3 SER 2 -18.887 4.914 1.064
13 HG SER 2 HG SER 2 -20.691 5.803 0.365
14 H ASP 3 H ASP 3 -18.907 2.822 -1.456
15 HA ASP 3 HA ASP 3 -16.892 0.940 -0.974
16 HB2 ASP 3 HB2 ASP 3 -17.669 1.375 -3.224
17 HB3 ASP 3 HB3 ASP 3 -17.116 3.045 -3.133
18 H ALA 4 H ALA 4 -17.085 4.134 0.027
19 HA ALA 4 HA ALA 4 -14.548 5.178 -0.206
20 HB1 ALA 4 HB1 ALA 4 -16.829 5.587 1.549
21 HB2 ALA 4 HB2 ALA 4 -15.289 5.926 2.341
22 HB3 ALA 4 HB3 ALA 4 -15.714 6.760 0.846
23 H VAL 5 H VAL 5 -15.762 3.088 2.413
24 HA VAL 5 HA VAL 5 -13.335 2.917 3.824
25 HB VAL 5 HB VAL 5 -15.492 2.282 4.812
26 HG11 VAL 5 HG11 VAL 5 -16.437 0.042 4.274
27 HG12 VAL 5 HG12 VAL 5 -16.560 1.206 2.953
28 HG13 VAL 5 HG13 VAL 5 -15.322 -0.051 2.912
29 HG21 VAL 5 HG21 VAL 5 -13.479 1.461 5.861
30 HG22 VAL 5 HG22 VAL 5 -14.729 0.220 5.948
31 HG23 VAL 5 HG23 VAL 5 -13.430 0.081 4.763
32 H PHE 6 H PHE 6 -14.692 0.955 1.223
33 HA PHE 6 HA PHE 6 -12.806 -1.123 1.280
34 HB2 PHE 6 HB2 PHE 6 -14.616 -0.025 -0.851
35 HB3 PHE 6 HB3 PHE 6 -13.465 -1.303 -1.228
36 HD1 PHE 6 HD1 PHE 6 -16.415 -0.426 0.794
37 HD2 PHE 6 HD2 PHE 6 -13.837 -3.540 -0.539
38 HE1 PHE 6 HE1 PHE 6 -18.008 -2.102 1.635
39 HE2 PHE 6 HE2 PHE 6 -15.427 -5.220 0.299
40 HZ PHE 6 HZ PHE 6 -17.516 -4.502 1.387
41 H THR 7 H THR 7 -12.928 1.762 -0.810
42 HA THR 7 HA THR 7 -10.400 1.300 -2.002
43 HB THR 7 HB THR 7 -12.109 2.721 -3.060
44 HG1 THR 7 HG1 THR 7 -9.752 4.209 -2.461
45 HG21 THR 7 HG21 THR 7 -11.482 4.617 -0.794
46 HG22 THR 7 HG22 THR 7 -13.029 3.840 -1.130
47 HG23 THR 7 HG23 THR 7 -12.391 5.052 -2.240
48 H ASP 8 H ASP 8 -11.454 3.198 0.778
49 HA ASP 8 HA ASP 8 -9.098 4.614 1.264
50 HB2 ASP 8 HB2 ASP 8 -10.804 5.386 2.589
51 HB3 ASP 8 HB3 ASP 8 -11.432 3.771 2.908
52 H ASN 9 H ASN 9 -10.031 1.335 2.136
53 HA ASN 9 HA ASN 9 -7.799 0.855 3.844
54 HB2 ASN 9 HB2 ASN 9 -9.870 -0.450 4.031
55 HB3 ASN 9 HB3 ASN 9 -9.612 -1.102 2.415
56 HD21 ASN 9 HD21 ASN 9 -9.720 -2.244 5.231
57 HD22 ASN 9 HD22 ASN 9 -8.320 -3.254 5.318
58 H TYR 10 H TYR 10 -8.432 0.442 0.421
59 HA TYR 10 HA TYR 10 -6.214 -1.193 -0.186
60 HB2 TYR 10 HB2 TYR 10 -7.630 0.794 -1.975
61 HB3 TYR 10 HB3 TYR 10 -6.589 -0.521 -2.509
62 HD1 TYR 10 HD1 TYR 10 -7.721 -2.497 -0.360
63 HD2 TYR 10 HD2 TYR 10 -9.524 0.028 -3.272
64 HE1 TYR 10 HE1 TYR 10 -9.665 -4.001 -0.452
65 HE2 TYR 10 HE2 TYR 10 -11.474 -1.469 -3.371
66 HH TYR 10 HH TYR 10 -11.799 -4.210 -1.182
67 H THR 11 H THR 11 -6.608 2.280 0.113
68 HA THR 11 HA THR 11 -4.155 3.045 -1.059
69 HB THR 11 HB THR 11 -4.475 5.199 -0.019
70 HG1 THR 11 HG1 THR 11 -6.682 4.205 1.445
71 HG21 THR 11 HG21 THR 11 -5.960 5.377 -1.697
72 HG22 THR 11 HG22 THR 11 -7.181 5.227 -0.433
73 HG23 THR 11 HG23 THR 11 -6.680 3.806 -1.348
74 H ARG 12 H ARG 12 -5.080 2.353 2.294
75 HA ARG 12 HA ARG 12 -2.501 2.944 3.366
76 HB2 ARG 12 HB2 ARG 12 -3.376 1.857 5.422
77 HB3 ARG 12 HB3 ARG 12 -4.440 3.107 4.792
78 HG2 ARG 12 HG2 ARG 12 -5.851 1.378 3.773
79 HG3 ARG 12 HG3 ARG 12 -4.794 0.137 4.450
80 HD2 ARG 12 HD2 ARG 12 -5.924 2.169 6.299
81 HD3 ARG 12 HD3 ARG 12 -7.009 0.927 5.677
82 HE ARG 12 HE ARG 12 -5.025 0.594 7.671
83 HH11 ARG 12 HH12 ARG 12 -6.509 -1.023 4.969
84 HH12 ARG 12 HH11 ARG 12 -6.200 -2.613 5.583
85 HH21 ARG 12 HH22 ARG 12 -4.613 -1.494 8.491
86 HH22 ARG 12 HH21 ARG 12 -5.122 -2.880 7.587
87 H LEU 13 H LEU 13 -4.201 -0.049 2.511
88 HA LEU 13 HA LEU 13 -2.287 -1.872 3.402
89 HB2 LEU 13 HB2 LEU 13 -4.523 -2.530 2.717
90 HB3 LEU 13 HB3 LEU 13 -4.166 -2.073 1.052
91 HG LEU 13 HG LEU 13 -2.303 -3.878 1.232
92 HD11 LEU 13 HD11 LEU 13 -2.168 -4.916 3.189
93 HD12 LEU 13 HD12 LEU 13 -3.733 -5.647 2.836
94 HD13 LEU 13 HD13 LEU 13 -3.649 -4.152 3.767
95 HD21 LEU 13 HD21 LEU 13 -4.077 -4.159 -0.301
96 HD22 LEU 13 HD22 LEU 13 -5.252 -4.419 0.989
97 HD23 LEU 13 HD23 LEU 13 -4.024 -5.641 0.655
98 H ARG 14 H ARG 14 -2.534 -0.111 0.355
99 HA ARG 14 HA ARG 14 -0.524 -1.436 -1.065
100 HB2 ARG 14 HB2 ARG 14 -2.239 0.464 -1.744
101 HB3 ARG 14 HB3 ARG 14 -0.868 1.509 -1.396
102 HG2 ARG 14 HG2 ARG 14 0.477 0.112 -2.986
103 HG3 ARG 14 HG3 ARG 14 -1.030 -0.688 -3.440
104 HD2 ARG 14 HD2 ARG 14 -1.878 1.752 -3.810
105 HD3 ARG 14 HD3 ARG 14 -0.159 2.131 -3.907
106 HE ARG 14 HE ARG 14 -0.436 0.052 -5.617
107 HH11 ARG 14 HH12 ARG 14 -2.076 3.103 -5.263
108 HH12 ARG 14 HH11 ARG 14 -2.440 3.251 -6.950
109 HH21 ARG 14 HH22 ARG 14 -0.909 0.236 -7.841
110 HH22 ARG 14 HH21 ARG 14 -1.777 1.620 -8.416
111 H LYS 15 H LYS 15 -0.356 1.226 1.242
112 HA LYS 15 HA LYS 15 2.306 1.971 0.874
113 HB2 LYS 15 HB2 LYS 15 0.510 3.095 2.305
114 HB3 LYS 15 HB3 LYS 15 0.932 1.933 3.556
115 HG2 LYS 15 HG2 LYS 15 2.114 3.934 4.017
116 HG3 LYS 15 HG3 LYS 15 3.287 2.762 3.413
117 HD2 LYS 15 HD2 LYS 15 2.605 3.922 1.098
118 HD3 LYS 15 HD3 LYS 15 2.301 5.273 2.192
119 HE2 LYS 15 HE2 LYS 15 4.621 5.146 1.195
120 HE3 LYS 15 HE3 LYS 15 4.537 5.288 2.951
121 HZ1 LYS 15 HZ1 LYS 15 5.999 3.460 1.657
122 HZ2 LYS 15 HZ2 LYS 15 4.586 2.576 1.943
123 HZ3 LYS 15 HZ3 LYS 15 5.428 3.266 3.238
124 H GLN 16 H GLN 16 0.909 -0.508 2.992
125 HA GLN 16 HA GLN 16 3.265 -1.283 4.281
126 HB2 GLN 16 HB2 GLN 16 0.637 -2.593 3.743
127 HB3 GLN 16 HB3 GLN 16 1.957 -3.581 4.354
128 HG2 GLN 16 HG2 GLN 16 0.813 -1.127 5.667
129 HG3 GLN 16 HG3 GLN 16 0.558 -2.799 6.165
130 HE21 GLN 16 HE21 GLN 16 2.531 -4.019 6.744
131 HE22 GLN 16 HE22 GLN 16 3.789 -3.178 7.575
132 H MET 17 H MET 17 1.765 -2.524 1.311
133 HA MET 17 HA MET 17 3.761 -4.487 0.826
134 HB2 MET 17 HB2 MET 17 1.805 -3.192 -1.081
135 HB3 MET 17 HB3 MET 17 2.762 -4.625 -1.430
136 HG2 MET 17 HG2 MET 17 1.605 -5.536 0.740
137 HG3 MET 17 HG3 MET 17 0.407 -4.303 0.353
138 HE1 MET 17 HE1 MET 17 2.685 -6.820 -1.297
139 HE2 MET 17 HE2 MET 17 1.580 -8.048 -0.680
140 HE3 MET 17 HE3 MET 17 1.667 -7.730 -2.413
141 H ALA 18 H ALA 18 3.335 -1.136 -0.152
142 HA ALA 18 HA ALA 18 5.482 -1.123 -2.035
143 HB1 ALA 18 HB1 ALA 18 4.978 1.493 -1.015
144 HB2 ALA 18 HB2 ALA 18 4.564 0.818 -2.591
145 HB3 ALA 18 HB3 ALA 18 3.442 0.656 -1.240
146 H VAL 19 H VAL 19 5.235 -0.724 1.398
147 HA VAL 19 HA VAL 19 7.578 0.732 1.904
148 HB VAL 19 HB VAL 19 5.862 -1.095 3.506
149 HG11 VAL 19 HG11 VAL 19 8.678 -0.336 4.237
150 HG12 VAL 19 HG12 VAL 19 7.462 -0.753 5.446
151 HG13 VAL 19 HG13 VAL 19 7.941 -1.938 4.231
152 HG21 VAL 19 HG21 VAL 19 5.717 0.846 4.960
153 HG22 VAL 19 HG22 VAL 19 6.942 1.679 4.003
154 HG23 VAL 19 HG23 VAL 19 5.372 1.305 3.292
155 H LYS 20 H LYS 20 7.028 -2.776 1.750
156 HA LYS 20 HA LYS 20 9.696 -3.515 2.315
157 HB2 LYS 20 HB2 LYS 20 7.480 -4.990 0.886
158 HB3 LYS 20 HB3 LYS 20 9.024 -5.719 1.309
159 HG2 LYS 20 HG2 LYS 20 8.540 -5.788 3.540
160 HG3 LYS 20 HG3 LYS 20 7.448 -4.404 3.459
161 HD2 LYS 20 HD2 LYS 20 6.903 -7.200 2.465
162 HD3 LYS 20 HD3 LYS 20 6.173 -6.415 3.868
163 HE2 LYS 20 HE2 LYS 20 4.517 -5.976 2.394
164 HE3 LYS 20 HE3 LYS 20 5.558 -4.615 1.977
165 HZ1 LYS 20 HZ1 LYS 20 5.629 -5.400 -0.076
166 HZ2 LYS 20 HZ2 LYS 20 4.745 -6.775 0.357
167 HZ3 LYS 20 HZ3 LYS 20 6.432 -6.781 0.482
168 H LYS 21 H LYS 21 7.938 -3.095 -0.739
169 HA LYS 21 HA LYS 21 10.053 -3.857 -2.438
170 HB2 LYS 21 HB2 LYS 21 7.610 -2.144 -2.855
171 HB3 LYS 21 HB3 LYS 21 8.757 -2.459 -4.150
172 HG2 LYS 21 HG2 LYS 21 7.406 -4.656 -2.611
173 HG3 LYS 21 HG3 LYS 21 6.717 -3.939 -4.070
174 HD2 LYS 21 HD2 LYS 21 8.796 -4.534 -5.285
175 HD3 LYS 21 HD3 LYS 21 9.377 -5.347 -3.830
176 HE2 LYS 21 HE2 LYS 21 7.868 -7.066 -4.025
177 HE3 LYS 21 HE3 LYS 21 6.700 -6.083 -4.907
178 HZ1 LYS 21 HZ1 LYS 21 9.046 -6.307 -6.435
179 HZ2 LYS 21 HZ2 LYS 21 7.494 -6.872 -6.800
180 HZ3 LYS 21 HZ3 LYS 21 8.576 -7.858 -5.951
181 H TYR 22 H TYR 22 9.104 -0.740 -1.080
182 HA TYR 22 HA TYR 22 11.000 0.789 -2.552
183 HB2 TYR 22 HB2 TYR 22 9.249 1.297 -0.178
184 HB3 TYR 22 HB3 TYR 22 10.529 2.442 -0.563
185 HD1 TYR 22 HD1 TYR 22 8.240 0.500 -2.783
186 HD2 TYR 22 HD2 TYR 22 9.508 4.332 -1.435
187 HE1 TYR 22 HE1 TYR 22 6.778 1.564 -4.450
188 HE2 TYR 22 HE2 TYR 22 8.048 5.406 -3.098
189 HH TYR 22 HH TYR 22 5.706 3.630 -4.908
190 H LEU 23 H LEU 23 10.921 -0.318 0.835
191 HA LEU 23 HA LEU 23 13.497 0.617 1.494
192 HB2 LEU 23 HB2 LEU 23 13.264 -0.546 3.510
193 HB3 LEU 23 HB3 LEU 23 11.627 -0.072 3.062
194 HG LEU 23 HG LEU 23 11.520 -2.484 2.052
195 HD11 LEU 23 HD11 LEU 23 13.860 -2.609 3.921
196 HD12 LEU 23 HD12 LEU 23 13.707 -3.257 2.288
197 HD13 LEU 23 HD13 LEU 23 12.841 -4.018 3.622
198 HD21 LEU 23 HD21 LEU 23 11.303 -1.673 4.930
199 HD22 LEU 23 HD22 LEU 23 10.916 -3.314 4.412
200 HD23 LEU 23 HD23 LEU 23 10.020 -1.945 3.751
201 H ASN 24 H ASN 24 12.338 -2.420 0.155
202 HA ASN 24 HA ASN 24 14.804 -3.819 0.417
203 HB2 ASN 24 HB2 ASN 24 12.681 -5.013 0.188
204 HB3 ASN 24 HB3 ASN 24 12.452 -4.329 -1.418
205 HD21 ASN 24 HD21 ASN 24 14.098 -4.862 -3.036
206 HD22 ASN 24 HD22 ASN 24 14.828 -6.427 -2.983
207 H SER 25 H SER 25 13.287 -1.961 -2.178
208 HA SER 25 HA SER 25 15.244 -2.533 -4.146
209 HB2 SER 25 HB2 SER 25 12.895 -1.614 -4.525
210 HB3 SER 25 HB3 SER 25 13.540 -0.042 -4.052
211 HG SER 25 HG SER 25 14.398 -1.660 -6.221
212 H ILE 26 H ILE 26 14.809 0.168 -1.892
213 HA ILE 26 HA ILE 26 16.920 1.770 -2.764
214 HB ILE 26 HB ILE 26 15.722 1.454 -0.015
215 HG12 ILE 26 HG12 ILE 26 15.460 3.746 -1.960
216 HG13 ILE 26 HG13 ILE 26 14.355 2.376 -1.959
217 HG21 ILE 26 HG21 ILE 26 18.016 3.072 -0.944
218 HG22 ILE 26 HG22 ILE 26 16.853 3.871 0.113
219 HG23 ILE 26 HG23 ILE 26 17.669 2.403 0.651
220 HD11 ILE 26 HD11 ILE 26 14.391 3.176 0.676
221 HD12 ILE 26 HD12 ILE 26 14.448 4.691 -0.226
222 HD13 ILE 26 HD13 ILE 26 13.142 3.541 -0.515
223 H LEU 27 H LEU 27 16.878 -0.840 -0.365
224 HA LEU 27 HA LEU 27 19.607 -0.574 0.372
225 HB2 LEU 27 HB2 LEU 27 17.595 -2.785 0.671
226 HB3 LEU 27 HB3 LEU 27 19.258 -2.949 1.234
227 HG LEU 27 HG LEU 27 17.660 -0.623 2.187
228 HD11 LEU 27 HD11 LEU 27 16.641 -3.200 2.405
229 HD12 LEU 27 HD12 LEU 27 16.176 -1.790 3.356
230 HD13 LEU 27 HD13 LEU 27 17.417 -2.889 3.959
231 HD21 LEU 27 HD21 LEU 27 20.181 -1.433 2.657
232 HD22 LEU 27 HD22 LEU 27 19.341 -2.277 3.958
233 HD23 LEU 27 HD23 LEU 27 19.215 -0.523 3.819
234 H ASN 28 H ASN 28 17.898 -2.617 -1.955
235 HA ASN 28 HA ASN 28 19.866 -4.360 -2.721
236 HB2 ASN 28 HB2 ASN 28 17.586 -3.075 -4.143
237 HB3 ASN 28 HB3 ASN 28 18.777 -3.929 -5.121
238 HD21 ASN 28 HD21 ASN 28 16.238 -4.816 -5.109
239 HD22 ASN 28 HD22 ASN 28 16.118 -6.304 -4.239
240 H GLY 29 H GLY 29 19.507 -0.972 -3.626
241 HA2 GLY 29 HA2 GLY 29 20.819 0.361 -5.009
242 HA3 GLY 29 HA3 GLY 29 22.062 -0.234 -3.918
Start of MODEL 14
1 H1 HIS 1 H HIS 1 -22.100 8.650 1.493
2 HA HIS 1 HA HIS 1 -19.835 7.109 2.574
3 HB2 HIS 1 HB2 HIS 1 -22.594 6.031 1.958
4 HB3 HIS 1 HB3 HIS 1 -21.224 5.093 2.545
5 HD1 HIS 1 HD1 HIS 1 -23.448 7.950 3.687
6 HD2 HIS 1 HD2 HIS 1 -21.063 4.931 5.253
7 HE1 HIS 1 HE1 HIS 1 -23.814 8.026 6.173
8 HE2 HIS 1 HE2 HIS 1 -22.296 6.247 7.107
9 H SER 2 H SER 2 -18.563 7.528 0.764
10 HA SER 2 HA SER 2 -19.568 6.484 -1.797
11 HB2 SER 2 HB2 SER 2 -17.260 8.374 -1.275
12 HB3 SER 2 HB3 SER 2 -17.811 7.837 -2.862
13 HG SER 2 HG SER 2 -19.268 9.334 -2.788
14 H ASP 3 H ASP 3 -18.756 4.642 0.110
15 HA ASP 3 HA ASP 3 -17.439 2.807 0.379
16 HB2 ASP 3 HB2 ASP 3 -16.846 3.556 -2.471
17 HB3 ASP 3 HB3 ASP 3 -16.019 2.202 -1.706
18 H ALA 4 H ALA 4 -16.473 5.267 1.393
19 HA ALA 4 HA ALA 4 -13.792 5.804 0.788
20 HB1 ALA 4 HB1 ALA 4 -13.858 7.278 2.508
21 HB2 ALA 4 HB2 ALA 4 -15.593 6.996 2.357
22 HB3 ALA 4 HB3 ALA 4 -14.666 6.147 3.594
23 H VAL 5 H VAL 5 -15.253 3.516 3.046
24 HA VAL 5 HA VAL 5 -12.877 2.717 4.338
25 HB VAL 5 HB VAL 5 -15.124 2.227 5.228
26 HG11 VAL 5 HG11 VAL 5 -16.516 0.520 4.312
27 HG12 VAL 5 HG12 VAL 5 -16.118 1.638 3.006
28 HG13 VAL 5 HG13 VAL 5 -15.293 0.083 3.119
29 HG21 VAL 5 HG21 VAL 5 -14.564 -0.395 5.482
30 HG22 VAL 5 HG22 VAL 5 -13.008 0.197 4.899
31 HG23 VAL 5 HG23 VAL 5 -13.716 0.874 6.366
32 H PHE 6 H PHE 6 -14.519 1.549 1.439
33 HA PHE 6 HA PHE 6 -12.985 -0.758 1.014
34 HB2 PHE 6 HB2 PHE 6 -14.561 1.037 -0.811
35 HB3 PHE 6 HB3 PHE 6 -13.641 -0.318 -1.456
36 HD1 PHE 6 HD1 PHE 6 -16.137 0.433 1.210
37 HD2 PHE 6 HD2 PHE 6 -14.690 -2.351 -1.667
38 HE1 PHE 6 HE1 PHE 6 -18.007 -1.078 1.736
39 HE2 PHE 6 HE2 PHE 6 -16.558 -3.865 -1.145
40 HZ PHE 6 HZ PHE 6 -18.220 -3.229 0.557
41 H THR 7 H THR 7 -12.620 2.483 -0.423
42 HA THR 7 HA THR 7 -10.190 1.888 -1.750
43 HB THR 7 HB THR 7 -11.632 3.759 -2.436
44 HG1 THR 7 HG1 THR 7 -8.930 4.153 -1.769
45 HG21 THR 7 HG21 THR 7 -10.630 5.211 0.009
46 HG22 THR 7 HG22 THR 7 -12.218 4.450 -0.087
47 HG23 THR 7 HG23 THR 7 -11.808 5.776 -1.175
48 H ASP 8 H ASP 8 -10.942 3.295 1.396
49 HA ASP 8 HA ASP 8 -8.397 4.179 2.113
50 HB2 ASP 8 HB2 ASP 8 -9.990 4.888 3.613
51 HB3 ASP 8 HB3 ASP 8 -10.833 3.342 3.614
52 H ASN 9 H ASN 9 -9.825 0.970 2.242
53 HA ASN 9 HA ASN 9 -7.729 -0.222 3.760
54 HB2 ASN 9 HB2 ASN 9 -9.899 -1.276 3.725
55 HB3 ASN 9 HB3 ASN 9 -9.850 -1.423 1.970
56 HD21 ASN 9 HD21 ASN 9 -10.072 -3.404 4.202
57 HD22 ASN 9 HD22 ASN 9 -8.836 -4.567 3.876
58 H TYR 10 H TYR 10 -8.433 0.036 0.304
59 HA TYR 10 HA TYR 10 -6.285 -1.597 -0.562
60 HB2 TYR 10 HB2 TYR 10 -7.655 0.619 -2.098
61 HB3 TYR 10 HB3 TYR 10 -6.740 -0.723 -2.775
62 HD1 TYR 10 HD1 TYR 10 -7.802 -2.974 -1.152
63 HD2 TYR 10 HD2 TYR 10 -9.800 0.309 -2.976
64 HE1 TYR 10 HE1 TYR 10 -9.862 -4.312 -1.290
65 HE2 TYR 10 HE2 TYR 10 -11.865 -1.019 -3.118
66 HH TYR 10 HH TYR 10 -12.512 -3.416 -3.174
67 H THR 11 H THR 11 -6.657 1.919 -0.244
68 HA THR 11 HA THR 11 -4.096 2.595 -1.214
69 HB THR 11 HB THR 11 -5.823 4.283 -1.098
70 HG1 THR 11 HG1 THR 11 -4.534 5.808 0.397
71 HG21 THR 11 HG21 THR 11 -6.684 3.231 1.162
72 HG22 THR 11 HG22 THR 11 -6.950 4.936 0.797
73 HG23 THR 11 HG23 THR 11 -5.637 4.459 1.873
74 H ARG 12 H ARG 12 -5.314 1.950 2.044
75 HA ARG 12 HA ARG 12 -2.914 2.624 3.396
76 HB2 ARG 12 HB2 ARG 12 -5.028 2.561 4.583
77 HB3 ARG 12 HB3 ARG 12 -5.219 0.851 4.219
78 HG2 ARG 12 HG2 ARG 12 -2.987 0.577 5.499
79 HG3 ARG 12 HG3 ARG 12 -3.363 2.174 6.148
80 HD2 ARG 12 HD2 ARG 12 -5.436 0.024 6.200
81 HD3 ARG 12 HD3 ARG 12 -4.148 0.023 7.403
82 HE ARG 12 HE ARG 12 -5.255 2.583 7.327
83 HH11 ARG 12 HH12 ARG 12 -6.173 -0.659 8.200
84 HH12 ARG 12 HH11 ARG 12 -7.317 -0.153 9.398
85 HH21 ARG 12 HH22 ARG 12 -6.758 3.263 8.902
86 HH22 ARG 12 HH21 ARG 12 -7.650 2.079 9.796
87 H LEU 13 H LEU 13 -4.243 -0.433 2.199
88 HA LEU 13 HA LEU 13 -2.193 -2.086 3.225
89 HB2 LEU 13 HB2 LEU 13 -4.348 -2.971 2.543
90 HB3 LEU 13 HB3 LEU 13 -4.039 -2.490 0.876
91 HG LEU 13 HG LEU 13 -1.968 -4.101 1.153
92 HD11 LEU 13 HD11 LEU 13 -2.059 -4.803 3.346
93 HD12 LEU 13 HD12 LEU 13 -2.905 -6.109 2.516
94 HD13 LEU 13 HD13 LEU 13 -3.822 -4.865 3.366
95 HD21 LEU 13 HD21 LEU 13 -3.765 -4.349 -0.482
96 HD22 LEU 13 HD22 LEU 13 -4.795 -5.077 0.751
97 HD23 LEU 13 HD23 LEU 13 -3.327 -5.904 0.225
98 H ARG 14 H ARG 14 -2.613 -0.407 0.148
99 HA ARG 14 HA ARG 14 -0.450 -1.536 -1.227
100 HB2 ARG 14 HB2 ARG 14 -2.380 0.125 -1.970
101 HB3 ARG 14 HB3 ARG 14 -1.140 1.333 -1.660
102 HG2 ARG 14 HG2 ARG 14 0.334 -0.201 -3.166
103 HG3 ARG 14 HG3 ARG 14 -1.224 -0.806 -3.731
104 HD2 ARG 14 HD2 ARG 14 -1.844 1.649 -4.083
105 HD3 ARG 14 HD3 ARG 14 -0.122 1.982 -3.898
106 HE ARG 14 HE ARG 14 -1.424 0.781 -6.163
107 HH11 ARG 14 HH12 ARG 14 1.574 1.121 -4.426
108 HH12 ARG 14 HH11 ARG 14 2.563 0.762 -5.802
109 HH21 ARG 14 HH22 ARG 14 -0.133 0.306 -7.982
110 HH22 ARG 14 HH21 ARG 14 1.591 0.300 -7.825
111 H LYS 15 H LYS 15 -0.623 1.148 1.041
112 HA LYS 15 HA LYS 15 1.926 2.227 0.648
113 HB2 LYS 15 HB2 LYS 15 0.133 3.288 1.993
114 HB3 LYS 15 HB3 LYS 15 0.371 2.069 3.237
115 HG2 LYS 15 HG2 LYS 15 1.544 3.925 4.010
116 HG3 LYS 15 HG3 LYS 15 2.790 2.880 3.324
117 HD2 LYS 15 HD2 LYS 15 2.269 4.298 1.151
118 HD3 LYS 15 HD3 LYS 15 1.732 5.482 2.344
119 HE2 LYS 15 HE2 LYS 15 3.876 5.522 3.381
120 HE3 LYS 15 HE3 LYS 15 4.422 4.132 2.444
121 HZ1 LYS 15 HZ1 LYS 15 4.469 6.893 1.760
122 HZ2 LYS 15 HZ2 LYS 15 3.647 5.997 0.584
123 HZ3 LYS 15 HZ3 LYS 15 5.235 5.588 1.002
124 H GLN 16 H GLN 16 0.848 -0.500 2.598
125 HA GLN 16 HA GLN 16 3.326 -0.904 3.933
126 HB2 GLN 16 HB2 GLN 16 0.864 -2.572 3.528
127 HB3 GLN 16 HB3 GLN 16 2.299 -3.266 4.271
128 HG2 GLN 16 HG2 GLN 16 0.873 -0.813 5.274
129 HG3 GLN 16 HG3 GLN 16 0.628 -2.445 5.896
130 HE21 GLN 16 HE21 GLN 16 2.840 0.233 5.654
131 HE22 GLN 16 HE22 GLN 16 3.915 -0.282 6.904
132 H MET 17 H MET 17 1.804 -2.441 1.113
133 HA MET 17 HA MET 17 3.900 -4.259 0.597
134 HB2 MET 17 HB2 MET 17 1.853 -3.091 -1.297
135 HB3 MET 17 HB3 MET 17 2.874 -4.480 -1.642
136 HG2 MET 17 HG2 MET 17 1.798 -5.411 0.563
137 HG3 MET 17 HG3 MET 17 0.534 -4.247 0.174
138 HE1 MET 17 HE1 MET 17 -0.912 -5.456 -3.146
139 HE2 MET 17 HE2 MET 17 -0.786 -4.173 -1.943
140 HE3 MET 17 HE3 MET 17 0.489 -4.384 -3.145
141 H ALA 18 H ALA 18 3.246 -0.982 -0.546
142 HA ALA 18 HA ALA 18 5.438 -0.923 -2.381
143 HB1 ALA 18 HB1 ALA 18 3.218 0.675 -1.875
144 HB2 ALA 18 HB2 ALA 18 4.604 1.692 -1.482
145 HB3 ALA 18 HB3 ALA 18 4.475 0.956 -3.079
146 H VAL 19 H VAL 19 5.050 -0.298 1.006
147 HA VAL 19 HA VAL 19 7.332 1.336 1.394
148 HB VAL 19 HB VAL 19 5.551 -0.254 3.172
149 HG11 VAL 19 HG11 VAL 19 8.315 0.667 3.905
150 HG12 VAL 19 HG12 VAL 19 7.046 0.443 5.110
151 HG13 VAL 19 HG13 VAL 19 7.590 -0.923 4.135
152 HG21 VAL 19 HG21 VAL 19 6.392 2.395 4.014
153 HG22 VAL 19 HG22 VAL 19 5.724 2.390 2.382
154 HG23 VAL 19 HG23 VAL 19 4.771 1.763 3.727
155 H LYS 20 H LYS 20 6.805 -2.157 1.823
156 HA LYS 20 HA LYS 20 9.475 -2.737 2.568
157 HB2 LYS 20 HB2 LYS 20 8.847 -5.098 2.051
158 HB3 LYS 20 HB3 LYS 20 7.730 -4.287 3.140
159 HG2 LYS 20 HG2 LYS 20 6.427 -3.769 0.931
160 HG3 LYS 20 HG3 LYS 20 7.339 -5.151 0.319
161 HD2 LYS 20 HD2 LYS 20 5.283 -6.005 1.139
162 HD3 LYS 20 HD3 LYS 20 6.516 -6.436 2.327
163 HE2 LYS 20 HE2 LYS 20 5.743 -4.076 3.331
164 HE3 LYS 20 HE3 LYS 20 4.244 -4.551 2.535
165 HZ1 LYS 20 HZ1 LYS 20 4.317 -6.644 3.763
166 HZ2 LYS 20 HZ2 LYS 20 4.278 -5.317 4.811
167 HZ3 LYS 20 HZ3 LYS 20 5.729 -6.148 4.552
168 H LYS 21 H LYS 21 7.774 -2.746 -0.525
169 HA LYS 21 HA LYS 21 9.844 -3.902 -2.056
170 HB2 LYS 21 HB2 LYS 21 7.477 -3.701 -2.795
171 HB3 LYS 21 HB3 LYS 21 7.710 -1.967 -2.974
172 HG2 LYS 21 HG2 LYS 21 8.045 -2.624 -5.123
173 HG3 LYS 21 HG3 LYS 21 9.700 -2.743 -4.521
174 HD2 LYS 21 HD2 LYS 21 9.460 -5.119 -4.194
175 HD3 LYS 21 HD3 LYS 21 7.748 -5.042 -4.618
176 HE2 LYS 21 HE2 LYS 21 10.019 -4.329 -6.470
177 HE3 LYS 21 HE3 LYS 21 9.182 -5.880 -6.457
178 HZ1 LYS 21 HZ1 LYS 21 7.243 -3.892 -6.620
179 HZ2 LYS 21 HZ2 LYS 21 7.683 -5.009 -7.811
180 HZ3 LYS 21 HZ3 LYS 21 8.437 -3.496 -7.751
181 H TYR 22 H TYR 22 9.048 -0.549 -1.267
182 HA TYR 22 HA TYR 22 11.030 0.623 -2.921
183 HB2 TYR 22 HB2 TYR 22 9.358 1.585 -0.628
184 HB3 TYR 22 HB3 TYR 22 10.678 2.585 -1.222
185 HD1 TYR 22 HD1 TYR 22 8.278 0.426 -3.088
186 HD2 TYR 22 HD2 TYR 22 9.677 4.370 -2.323
187 HE1 TYR 22 HE1 TYR 22 6.819 1.283 -4.872
188 HE2 TYR 22 HE2 TYR 22 8.220 5.239 -4.104
189 HH TYR 22 HH TYR 22 6.465 3.107 -6.245
190 H LEU 23 H LEU 23 10.928 0.066 0.599
191 HA LEU 23 HA LEU 23 13.549 0.936 1.116
192 HB2 LEU 23 HB2 LEU 23 13.325 -0.203 3.250
193 HB3 LEU 23 HB3 LEU 23 11.864 0.701 2.857
194 HG LEU 23 HG LEU 23 11.030 -1.626 1.979
195 HD11 LEU 23 HD11 LEU 23 12.593 -2.775 4.188
196 HD12 LEU 23 HD12 LEU 23 13.500 -2.425 2.717
197 HD13 LEU 23 HD13 LEU 23 12.094 -3.488 2.654
198 HD21 LEU 23 HD21 LEU 23 9.668 -1.048 3.647
199 HD22 LEU 23 HD22 LEU 23 10.974 -0.302 4.568
200 HD23 LEU 23 HD23 LEU 23 10.696 -2.040 4.681
201 H ASN 24 H ASN 24 12.241 -2.233 0.284
202 HA ASN 24 HA ASN 24 14.609 -3.709 0.720
203 HB2 ASN 24 HB2 ASN 24 12.473 -4.839 0.555
204 HB3 ASN 24 HB3 ASN 24 12.248 -4.253 -1.091
205 HD21 ASN 24 HD21 ASN 24 13.583 -5.092 -2.749
206 HD22 ASN 24 HD22 ASN 24 14.338 -6.637 -2.579
207 H SER 25 H SER 25 13.310 -2.048 -2.114
208 HA SER 25 HA SER 25 15.305 -2.957 -3.921
209 HB2 SER 25 HB2 SER 25 13.564 -0.485 -4.091
210 HB3 SER 25 HB3 SER 25 14.456 -1.217 -5.424
211 HG SER 25 HG SER 25 13.169 -3.118 -5.075
212 H ILE 26 H ILE 26 14.879 0.093 -2.142
213 HA ILE 26 HA ILE 26 17.158 1.404 -3.066
214 HB ILE 26 HB ILE 26 15.798 1.625 -0.380
215 HG12 ILE 26 HG12 ILE 26 15.627 3.495 -2.742
216 HG13 ILE 26 HG13 ILE 26 14.504 2.160 -2.511
217 HG21 ILE 26 HG21 ILE 26 17.341 3.078 0.282
218 HG22 ILE 26 HG22 ILE 26 18.301 2.626 -1.126
219 HG23 ILE 26 HG23 ILE 26 17.192 3.994 -1.218
220 HD11 ILE 26 HD11 ILE 26 13.293 3.751 -1.488
221 HD12 ILE 26 HD12 ILE 26 14.314 3.336 -0.110
222 HD13 ILE 26 HD13 ILE 26 14.705 4.737 -1.107
223 H LEU 27 H LEU 27 16.751 -0.777 -0.303
224 HA LEU 27 HA LEU 27 19.401 -0.528 0.662
225 HB2 LEU 27 HB2 LEU 27 17.158 -2.443 1.086
226 HB3 LEU 27 HB3 LEU 27 18.768 -2.876 1.657
227 HG LEU 27 HG LEU 27 17.519 -0.272 2.454
228 HD11 LEU 27 HD11 LEU 27 16.849 -1.585 4.565
229 HD12 LEU 27 HD12 LEU 27 16.917 -3.004 3.520
230 HD13 LEU 27 HD13 LEU 27 15.809 -1.684 3.143
231 HD21 LEU 27 HD21 LEU 27 19.936 -0.769 2.860
232 HD22 LEU 27 HD22 LEU 27 19.428 -2.096 3.905
233 HD23 LEU 27 HD23 LEU 27 19.000 -0.435 4.317
234 H ASN 28 H ASN 28 17.837 -2.813 -1.539
235 HA ASN 28 HA ASN 28 19.818 -4.693 -1.850
236 HB2 ASN 28 HB2 ASN 28 17.496 -4.591 -2.940
237 HB3 ASN 28 HB3 ASN 28 18.260 -3.625 -4.199
238 HD21 ASN 28 HD21 ASN 28 17.039 -6.025 -4.751
239 HD22 ASN 28 HD22 ASN 28 18.235 -7.181 -5.219
240 H GLY 29 H GLY 29 19.606 -1.480 -3.289
241 HA2 GLY 29 HA2 GLY 29 22.107 -1.916 -4.743
242 HA3 GLY 29 HA3 GLY 29 21.045 -0.525 -4.901
Start of MODEL 15
1 H1 HIS 1 H HIS 1 -21.778 9.201 1.283
2 HA HIS 1 HA HIS 1 -20.846 7.655 -0.946
3 HB2 HIS 1 HB2 HIS 1 -19.340 10.099 -0.054
4 HB3 HIS 1 HB3 HIS 1 -18.491 8.721 -0.748
5 HD1 HIS 1 HD1 HIS 1 -20.538 8.024 -2.982
6 HD2 HIS 1 HD2 HIS 1 -19.146 11.848 -2.145
7 HE1 HIS 1 HE1 HIS 1 -20.852 9.333 -5.106
8 HE2 HIS 1 HE2 HIS 1 -19.924 11.620 -4.602
9 H SER 2 H SER 2 -20.290 5.784 -0.070
10 HA SER 2 HA SER 2 -18.960 5.797 2.559
11 HB2 SER 2 HB2 SER 2 -20.107 3.618 3.008
12 HB3 SER 2 HB3 SER 2 -21.215 4.984 2.879
13 HG SER 2 HG SER 2 -21.394 4.292 0.583
14 H ASP 3 H ASP 3 -18.715 5.031 -0.667
15 HA ASP 3 HA ASP 3 -17.286 2.582 -0.562
16 HB2 ASP 3 HB2 ASP 3 -18.185 3.100 -2.665
17 HB3 ASP 3 HB3 ASP 3 -17.571 4.750 -2.624
18 H ALA 4 H ALA 4 -16.471 5.602 0.552
19 HA ALA 4 HA ALA 4 -13.790 5.911 -0.185
20 HB1 ALA 4 HB1 ALA 4 -14.267 7.796 0.900
21 HB2 ALA 4 HB2 ALA 4 -15.589 7.040 1.791
22 HB3 ALA 4 HB3 ALA 4 -13.935 6.910 2.389
23 H VAL 5 H VAL 5 -15.279 4.033 2.403
24 HA VAL 5 HA VAL 5 -12.931 3.345 3.788
25 HB VAL 5 HB VAL 5 -15.126 3.001 4.778
26 HG11 VAL 5 HG11 VAL 5 -16.790 1.723 3.910
27 HG12 VAL 5 HG12 VAL 5 -15.970 2.132 2.402
28 HG13 VAL 5 HG13 VAL 5 -15.675 0.573 3.173
29 HG21 VAL 5 HG21 VAL 5 -14.814 0.569 5.484
30 HG22 VAL 5 HG22 VAL 5 -13.415 0.558 4.410
31 HG23 VAL 5 HG23 VAL 5 -13.468 1.670 5.778
32 H PHE 6 H PHE 6 -14.567 1.858 1.039
33 HA PHE 6 HA PHE 6 -13.096 -0.522 0.923
34 HB2 PHE 6 HB2 PHE 6 -14.549 1.087 -1.166
35 HB3 PHE 6 HB3 PHE 6 -13.701 -0.399 -1.579
36 HD1 PHE 6 HD1 PHE 6 -16.390 0.991 0.550
37 HD2 PHE 6 HD2 PHE 6 -14.680 -2.491 -1.202
38 HE1 PHE 6 HE1 PHE 6 -18.360 -0.315 1.232
39 HE2 PHE 6 HE2 PHE 6 -16.648 -3.803 -0.523
40 HZ PHE 6 HZ PHE 6 -18.492 -2.715 0.695
41 H THR 7 H THR 7 -12.598 2.512 -0.879
42 HA THR 7 HA THR 7 -10.165 1.688 -2.072
43 HB THR 7 HB THR 7 -11.531 3.506 -3.011
44 HG1 THR 7 HG1 THR 7 -9.413 3.585 -3.650
45 HG21 THR 7 HG21 THR 7 -10.643 5.024 -0.556
46 HG22 THR 7 HG22 THR 7 -12.295 4.583 -0.988
47 HG23 THR 7 HG23 THR 7 -11.411 5.755 -1.965
48 H ASP 8 H ASP 8 -10.930 3.485 0.866
49 HA ASP 8 HA ASP 8 -8.383 4.385 1.534
50 HB2 ASP 8 HB2 ASP 8 -10.009 5.277 2.905
51 HB3 ASP 8 HB3 ASP 8 -10.849 3.739 3.088
52 H ASN 9 H ASN 9 -9.953 1.293 2.281
53 HA ASN 9 HA ASN 9 -7.922 0.218 3.880
54 HB2 ASN 9 HB2 ASN 9 -10.306 -0.661 3.467
55 HB3 ASN 9 HB3 ASN 9 -9.632 -1.447 2.042
56 HD21 ASN 9 HD21 ASN 9 -10.760 -2.993 3.912
57 HD22 ASN 9 HD22 ASN 9 -9.561 -3.875 4.789
58 H TYR 10 H TYR 10 -8.438 0.056 0.378
59 HA TYR 10 HA TYR 10 -6.245 -1.644 -0.171
60 HB2 TYR 10 HB2 TYR 10 -7.486 0.382 -2.040
61 HB3 TYR 10 HB3 TYR 10 -6.580 -1.060 -2.487
62 HD1 TYR 10 HD1 TYR 10 -7.814 -3.034 -0.616
63 HD2 TYR 10 HD2 TYR 10 -9.577 -0.005 -3.028
64 HE1 TYR 10 HE1 TYR 10 -9.905 -4.325 -0.698
65 HE2 TYR 10 HE2 TYR 10 -11.674 -1.287 -3.116
66 HH TYR 10 HH TYR 10 -12.773 -3.132 -1.482
67 H THR 11 H THR 11 -6.611 1.875 -0.139
68 HA THR 11 HA THR 11 -4.056 2.513 -1.128
69 HB THR 11 HB THR 11 -5.790 4.128 0.751
70 HG1 THR 11 HG1 THR 11 -6.868 4.714 -0.993
71 HG21 THR 11 HG21 THR 11 -3.162 4.595 -0.346
72 HG22 THR 11 HG22 THR 11 -4.081 5.561 0.808
73 HG23 THR 11 HG23 THR 11 -4.306 5.806 -0.923
74 H ARG 12 H ARG 12 -5.253 2.053 2.175
75 HA ARG 12 HA ARG 12 -2.783 2.716 3.429
76 HB2 ARG 12 HB2 ARG 12 -4.837 2.914 4.678
77 HB3 ARG 12 HB3 ARG 12 -5.205 1.212 4.427
78 HG2 ARG 12 HG2 ARG 12 -3.069 0.716 5.707
79 HG3 ARG 12 HG3 ARG 12 -3.081 2.420 6.167
80 HD2 ARG 12 HD2 ARG 12 -5.527 0.750 6.565
81 HD3 ARG 12 HD3 ARG 12 -4.193 0.639 7.713
82 HE ARG 12 HE ARG 12 -5.104 3.323 7.152
83 HH11 ARG 12 HH12 ARG 12 -5.412 0.514 9.185
84 HH12 ARG 12 HH11 ARG 12 -6.088 1.391 10.518
85 HH21 ARG 12 HH22 ARG 12 -5.994 4.489 8.899
86 HH22 ARG 12 HH21 ARG 12 -6.420 3.652 10.353
87 H LEU 13 H LEU 13 -4.346 -0.332 2.529
88 HA LEU 13 HA LEU 13 -2.413 -2.042 3.664
89 HB2 LEU 13 HB2 LEU 13 -4.553 -2.916 3.096
90 HB3 LEU 13 HB3 LEU 13 -4.375 -2.421 1.414
91 HG LEU 13 HG LEU 13 -2.317 -4.107 1.551
92 HD11 LEU 13 HD11 LEU 13 -3.362 -6.118 2.869
93 HD12 LEU 13 HD12 LEU 13 -4.112 -4.831 3.813
94 HD13 LEU 13 HD13 LEU 13 -2.356 -4.924 3.690
95 HD21 LEU 13 HD21 LEU 13 -4.586 -5.768 1.204
96 HD22 LEU 13 HD22 LEU 13 -3.573 -5.021 -0.031
97 HD23 LEU 13 HD23 LEU 13 -4.990 -4.168 0.583
98 H ARG 14 H ARG 14 -2.734 -0.622 0.440
99 HA ARG 14 HA ARG 14 -0.642 -1.986 -0.815
100 HB2 ARG 14 HB2 ARG 14 -2.441 -0.363 -1.778
101 HB3 ARG 14 HB3 ARG 14 -1.248 0.885 -1.439
102 HG2 ARG 14 HG2 ARG 14 0.323 -0.789 -2.766
103 HG3 ARG 14 HG3 ARG 14 -1.222 -1.268 -3.471
104 HD2 ARG 14 HD2 ARG 14 -0.498 0.414 -4.897
105 HD3 ARG 14 HD3 ARG 14 -1.594 1.262 -3.808
106 HE ARG 14 HE ARG 14 0.187 2.453 -2.986
107 HH11 ARG 14 HH12 ARG 14 1.355 -0.236 -4.865
108 HH12 ARG 14 HH11 ARG 14 3.002 0.299 -4.846
109 HH21 ARG 14 HH22 ARG 14 2.353 3.167 -2.955
110 HH22 ARG 14 HH21 ARG 14 3.569 2.234 -3.759
111 H LYS 15 H LYS 15 -0.640 0.883 1.220
112 HA LYS 15 HA LYS 15 1.956 1.785 0.755
113 HB2 LYS 15 HB2 LYS 15 0.555 3.207 2.000
114 HB3 LYS 15 HB3 LYS 15 0.138 1.939 3.146
115 HG2 LYS 15 HG2 LYS 15 1.655 3.679 4.056
116 HG3 LYS 15 HG3 LYS 15 2.301 2.039 4.153
117 HD2 LYS 15 HD2 LYS 15 4.104 3.322 3.393
118 HD3 LYS 15 HD3 LYS 15 3.463 2.572 1.930
119 HE2 LYS 15 HE2 LYS 15 2.571 5.297 2.813
120 HE3 LYS 15 HE3 LYS 15 4.041 5.077 1.866
121 HZ1 LYS 15 HZ1 LYS 15 1.265 4.825 1.062
122 HZ2 LYS 15 HZ2 LYS 15 2.309 3.649 0.438
123 HZ3 LYS 15 HZ3 LYS 15 2.617 5.289 0.157
124 H GLN 16 H GLN 16 0.767 -0.627 3.064
125 HA GLN 16 HA GLN 16 3.194 -1.117 4.374
126 HB2 GLN 16 HB2 GLN 16 0.649 -2.627 4.015
127 HB3 GLN 16 HB3 GLN 16 2.043 -3.492 4.648
128 HG2 GLN 16 HG2 GLN 16 0.958 -0.950 5.833
129 HG3 GLN 16 HG3 GLN 16 0.521 -2.567 6.381
130 HE21 GLN 16 HE21 GLN 16 2.378 -0.029 7.105
131 HE22 GLN 16 HE22 GLN 16 3.682 -0.812 7.923
132 H MET 17 H MET 17 1.734 -2.704 1.552
133 HA MET 17 HA MET 17 3.855 -4.558 1.185
134 HB2 MET 17 HB2 MET 17 1.827 -3.569 -0.827
135 HB3 MET 17 HB3 MET 17 2.822 -5.010 -0.986
136 HG2 MET 17 HG2 MET 17 1.070 -4.765 1.398
137 HG3 MET 17 HG3 MET 17 0.328 -5.129 -0.158
138 HE1 MET 17 HE1 MET 17 0.486 -7.134 2.641
139 HE2 MET 17 HE2 MET 17 -0.580 -7.173 1.236
140 HE3 MET 17 HE3 MET 17 0.377 -8.594 1.657
141 H ALA 18 H ALA 18 3.188 -1.331 -0.034
142 HA ALA 18 HA ALA 18 5.294 -1.332 -1.968
143 HB1 ALA 18 HB1 ALA 18 4.317 1.242 -0.890
144 HB2 ALA 18 HB2 ALA 18 4.548 0.722 -2.560
145 HB3 ALA 18 HB3 ALA 18 3.124 0.197 -1.662
146 H VAL 19 H VAL 19 5.069 -0.663 1.424
147 HA VAL 19 HA VAL 19 7.311 0.994 1.754
148 HB VAL 19 HB VAL 19 5.732 -0.781 3.538
149 HG11 VAL 19 HG11 VAL 19 7.976 -1.412 4.170
150 HG12 VAL 19 HG12 VAL 19 8.457 0.283 4.271
151 HG13 VAL 19 HG13 VAL 19 7.285 -0.372 5.415
152 HG21 VAL 19 HG21 VAL 19 6.690 2.065 3.820
153 HG22 VAL 19 HG22 VAL 19 5.144 1.583 3.121
154 HG23 VAL 19 HG23 VAL 19 5.483 1.255 4.820
155 H LYS 20 H LYS 20 7.013 -2.544 2.004
156 HA LYS 20 HA LYS 20 9.761 -3.003 2.508
157 HB2 LYS 20 HB2 LYS 20 9.275 -5.304 2.280
158 HB3 LYS 20 HB3 LYS 20 7.820 -4.585 2.959
159 HG2 LYS 20 HG2 LYS 20 7.125 -4.423 0.424
160 HG3 LYS 20 HG3 LYS 20 8.290 -5.739 0.263
161 HD2 LYS 20 HD2 LYS 20 5.969 -6.526 0.630
162 HD3 LYS 20 HD3 LYS 20 7.091 -7.062 1.883
163 HE2 LYS 20 HE2 LYS 20 6.202 -5.633 3.470
164 HE3 LYS 20 HE3 LYS 20 5.535 -4.538 2.260
165 HZ1 LYS 20 HZ1 LYS 20 3.993 -6.433 1.671
166 HZ2 LYS 20 HZ2 LYS 20 3.713 -5.674 3.157
167 HZ3 LYS 20 HZ3 LYS 20 4.493 -7.175 3.108
168 H LYS 21 H LYS 21 7.829 -2.884 -0.436
169 HA LYS 21 HA LYS 21 9.814 -3.857 -2.196
170 HB2 LYS 21 HB2 LYS 21 7.554 -1.953 -2.833
171 HB3 LYS 21 HB3 LYS 21 8.428 -2.962 -3.977
172 HG2 LYS 21 HG2 LYS 21 7.052 -4.293 -1.708
173 HG3 LYS 21 HG3 LYS 21 6.070 -3.657 -3.030
174 HD2 LYS 21 HD2 LYS 21 7.559 -4.929 -4.608
175 HD3 LYS 21 HD3 LYS 21 8.284 -5.696 -3.193
176 HE2 LYS 21 HE2 LYS 21 6.578 -7.140 -4.094
177 HE3 LYS 21 HE3 LYS 21 6.042 -6.510 -2.537
178 HZ1 LYS 21 HZ1 LYS 21 4.202 -5.895 -3.587
179 HZ2 LYS 21 HZ2 LYS 21 4.860 -6.203 -5.114
180 HZ3 LYS 21 HZ3 LYS 21 5.115 -4.705 -4.370
181 H TYR 22 H TYR 22 9.020 -0.632 -1.024
182 HA TYR 22 HA TYR 22 10.807 0.739 -2.773
183 HB2 TYR 22 HB2 TYR 22 9.295 1.497 -0.292
184 HB3 TYR 22 HB3 TYR 22 10.495 2.590 -0.972
185 HD1 TYR 22 HD1 TYR 22 8.143 0.370 -2.804
186 HD2 TYR 22 HD2 TYR 22 9.180 4.363 -1.762
187 HE1 TYR 22 HE1 TYR 22 6.465 1.214 -4.392
188 HE2 TYR 22 HE2 TYR 22 7.504 5.218 -3.346
189 HH TYR 22 HH TYR 22 5.928 4.702 -4.816
190 H LEU 23 H LEU 23 11.021 -0.486 0.531
191 HA LEU 23 HA LEU 23 13.583 0.624 1.077
192 HB2 LEU 23 HB2 LEU 23 13.407 -0.354 3.118
193 HB3 LEU 23 HB3 LEU 23 11.709 -0.372 2.647
194 HG LEU 23 HG LEU 23 12.247 -2.767 1.784
195 HD11 LEU 23 HD11 LEU 23 14.003 -3.550 3.721
196 HD12 LEU 23 HD12 LEU 23 14.697 -2.018 3.190
197 HD13 LEU 23 HD13 LEU 23 14.404 -3.305 2.021
198 HD21 LEU 23 HD21 LEU 23 11.356 -3.623 3.731
199 HD22 LEU 23 HD22 LEU 23 10.884 -1.927 3.836
200 HD23 LEU 23 HD23 LEU 23 12.266 -2.516 4.760
201 H ASN 24 H ASN 24 12.460 -2.463 -0.197
202 HA ASN 24 HA ASN 24 14.892 -3.855 -0.096
203 HB2 ASN 24 HB2 ASN 24 13.812 -5.502 -1.256
204 HB3 ASN 24 HB3 ASN 24 12.402 -4.566 -0.769
205 HD21 ASN 24 HD21 ASN 24 14.826 -4.638 -3.360
206 HD22 ASN 24 HD22 ASN 24 13.710 -4.331 -4.643
207 H SER 25 H SER 25 13.451 -1.930 -2.715
208 HA SER 25 HA SER 25 15.602 -2.282 -4.521
209 HB2 SER 25 HB2 SER 25 13.510 -1.620 -5.442
210 HB3 SER 25 HB3 SER 25 13.387 -0.237 -4.354
211 HG SER 25 HG SER 25 14.049 0.366 -6.467
212 H ILE 26 H ILE 26 14.945 0.035 -1.980
213 HA ILE 26 HA ILE 26 16.984 1.888 -2.705
214 HB ILE 26 HB ILE 26 15.473 1.443 -0.138
215 HG12 ILE 26 HG12 ILE 26 15.424 3.835 -1.971
216 HG13 ILE 26 HG13 ILE 26 14.388 2.438 -2.240
217 HG21 ILE 26 HG21 ILE 26 16.669 3.970 -0.055
218 HG22 ILE 26 HG22 ILE 26 17.036 2.575 0.959
219 HG23 ILE 26 HG23 ILE 26 17.948 2.851 -0.525
220 HD11 ILE 26 HD11 ILE 26 13.780 4.627 -0.712
221 HD12 ILE 26 HD12 ILE 26 12.968 3.063 -0.649
222 HD13 ILE 26 HD13 ILE 26 14.265 3.430 0.488
223 H LEU 27 H LEU 27 16.804 -0.765 -0.355
224 HA LEU 27 HA LEU 27 19.484 -0.390 0.574
225 HB2 LEU 27 HB2 LEU 27 17.364 -2.454 0.968
226 HB3 LEU 27 HB3 LEU 27 19.019 -2.805 1.461
227 HG LEU 27 HG LEU 27 17.437 -0.441 2.460
228 HD11 LEU 27 HD11 LEU 27 16.768 -2.990 3.011
229 HD12 LEU 27 HD12 LEU 27 16.579 -1.656 4.149
230 HD13 LEU 27 HD13 LEU 27 17.989 -2.710 4.253
231 HD21 LEU 27 HD21 LEU 27 20.054 -1.697 3.261
232 HD22 LEU 27 HD22 LEU 27 19.183 -0.535 4.263
233 HD23 LEU 27 HD23 LEU 27 19.774 -0.059 2.670
234 H ASN 28 H ASN 28 17.911 -2.466 -1.793
235 HA ASN 28 HA ASN 28 19.875 -4.316 -2.316
236 HB2 ASN 28 HB2 ASN 28 17.732 -4.453 -3.412
237 HB3 ASN 28 HB3 ASN 28 18.011 -2.930 -4.251
238 HD21 ASN 28 HD21 ASN 28 17.732 -3.863 -6.264
239 HD22 ASN 28 HD22 ASN 28 18.910 -4.912 -6.969
240 H GLY 29 H GLY 29 19.727 -0.947 -3.305
241 HA2 GLY 29 HA2 GLY 29 22.381 -1.267 -4.564
242 HA3 GLY 29 HA3 GLY 29 21.198 -0.069 -5.067
Start of MODEL 16
1 H1 HIS 1 H HIS 1 -25.403 5.559 -0.360
2 HA HIS 1 HA HIS 1 -23.424 4.209 1.176
3 HB2 HIS 1 HB2 HIS 1 -25.439 3.215 -0.103
4 HB3 HIS 1 HB3 HIS 1 -24.392 3.283 -1.518
5 HD1 HIS 1 HD1 HIS 1 -23.307 1.116 -1.940
6 HD2 HIS 1 HD2 HIS 1 -23.873 1.778 2.122
7 HE1 HIS 1 HE1 HIS 1 -22.390 -0.925 -0.792
8 HE2 HIS 1 HE2 HIS 1 -22.821 -0.539 1.660
9 H SER 2 H SER 2 -21.372 4.894 1.058
10 HA SER 2 HA SER 2 -20.182 5.185 -1.624
11 HB2 SER 2 HB2 SER 2 -20.391 7.264 -0.044
12 HB3 SER 2 HB3 SER 2 -19.016 6.538 0.788
13 HG SER 2 HG SER 2 -19.149 7.263 -1.954
14 H ASP 3 H ASP 3 -18.434 3.986 -2.084
15 HA ASP 3 HA ASP 3 -17.596 1.995 -0.167
16 HB2 ASP 3 HB2 ASP 3 -15.997 1.453 -2.200
17 HB3 ASP 3 HB3 ASP 3 -17.706 1.028 -2.253
18 H ALA 4 H ALA 4 -16.946 4.531 0.736
19 HA ALA 4 HA ALA 4 -14.279 5.283 0.098
20 HB1 ALA 4 HB1 ALA 4 -14.641 7.037 1.456
21 HB2 ALA 4 HB2 ALA 4 -16.319 6.495 1.407
22 HB3 ALA 4 HB3 ALA 4 -15.282 6.031 2.756
23 H VAL 5 H VAL 5 -15.718 3.394 2.733
24 HA VAL 5 HA VAL 5 -13.381 2.991 4.227
25 HB VAL 5 HB VAL 5 -15.601 2.490 5.120
26 HG11 VAL 5 HG11 VAL 5 -16.896 0.616 4.424
27 HG12 VAL 5 HG12 VAL 5 -16.486 1.535 2.974
28 HG13 VAL 5 HG13 VAL 5 -15.614 0.050 3.355
29 HG21 VAL 5 HG21 VAL 5 -13.630 0.220 5.042
30 HG22 VAL 5 HG22 VAL 5 -13.828 1.452 6.288
31 HG23 VAL 5 HG23 VAL 5 -15.058 0.207 6.076
32 H PHE 6 H PHE 6 -14.747 1.205 1.508
33 HA PHE 6 HA PHE 6 -12.992 -0.996 1.599
34 HB2 PHE 6 HB2 PHE 6 -14.673 0.226 -0.572
35 HB3 PHE 6 HB3 PHE 6 -13.600 -1.126 -0.917
36 HD1 PHE 6 HD1 PHE 6 -16.527 -0.054 1.052
37 HD2 PHE 6 HD2 PHE 6 -14.159 -3.332 -0.277
38 HE1 PHE 6 HE1 PHE 6 -18.254 -1.618 1.842
39 HE2 PHE 6 HE2 PHE 6 -15.883 -4.901 0.509
40 HZ PHE 6 HZ PHE 6 -17.934 -4.045 1.570
41 H THR 7 H THR 7 -12.904 1.924 -0.443
42 HA THR 7 HA THR 7 -10.427 1.362 -1.652
43 HB THR 7 HB THR 7 -12.017 3.017 -2.557
44 HG1 THR 7 HG1 THR 7 -9.554 4.294 -1.929
45 HG21 THR 7 HG21 THR 7 -12.024 5.303 -1.556
46 HG22 THR 7 HG22 THR 7 -11.164 4.646 -0.164
47 HG23 THR 7 HG23 THR 7 -12.790 4.080 -0.543
48 H ASP 8 H ASP 8 -11.275 3.120 1.285
49 HA ASP 8 HA ASP 8 -8.816 4.293 1.852
50 HB2 ASP 8 HB2 ASP 8 -10.424 5.046 3.301
51 HB3 ASP 8 HB3 ASP 8 -11.174 3.460 3.462
52 H ASN 9 H ASN 9 -9.974 1.024 2.484
53 HA ASN 9 HA ASN 9 -7.756 0.219 4.065
54 HB2 ASN 9 HB2 ASN 9 -10.036 -1.144 2.721
55 HB3 ASN 9 HB3 ASN 9 -8.644 -2.133 3.154
56 HD21 ASN 9 HD21 ASN 9 -11.276 -0.209 4.330
57 HD22 ASN 9 HD22 ASN 9 -11.169 -0.703 5.982
58 H TYR 10 H TYR 10 -8.505 0.013 0.620
59 HA TYR 10 HA TYR 10 -6.253 -1.557 -0.088
60 HB2 TYR 10 HB2 TYR 10 -7.746 0.370 -1.872
61 HB3 TYR 10 HB3 TYR 10 -6.804 -1.031 -2.368
62 HD1 TYR 10 HD1 TYR 10 -7.863 -2.926 -0.212
63 HD2 TYR 10 HD2 TYR 10 -9.814 -0.243 -2.876
64 HE1 TYR 10 HE1 TYR 10 -9.887 -4.321 -0.125
65 HE2 TYR 10 HE2 TYR 10 -11.844 -1.630 -2.796
66 HH TYR 10 HH TYR 10 -12.417 -4.025 -2.303
67 H THR 11 H THR 11 -6.867 1.932 -0.097
68 HA THR 11 HA THR 11 -4.477 2.768 -1.272
69 HB THR 11 HB THR 11 -4.850 4.932 -0.108
70 HG1 THR 11 HG1 THR 11 -5.750 4.443 1.822
71 HG21 THR 11 HG21 THR 11 -7.574 4.235 -0.993
72 HG22 THR 11 HG22 THR 11 -6.285 3.852 -2.134
73 HG23 THR 11 HG23 THR 11 -6.488 5.505 -1.556
74 H ARG 12 H ARG 12 -5.270 2.329 2.170
75 HA ARG 12 HA ARG 12 -2.697 3.049 3.117
76 HB2 ARG 12 HB2 ARG 12 -5.043 1.610 4.322
77 HB3 ARG 12 HB3 ARG 12 -3.523 1.734 5.197
78 HG2 ARG 12 HG2 ARG 12 -3.647 4.140 5.163
79 HG3 ARG 12 HG3 ARG 12 -5.097 4.081 4.159
80 HD2 ARG 12 HD2 ARG 12 -6.018 4.382 6.242
81 HD3 ARG 12 HD3 ARG 12 -6.030 2.623 6.120
82 HE ARG 12 HE ARG 12 -3.671 3.091 7.311
83 HH11 ARG 12 HH12 ARG 12 -6.888 4.248 7.968
84 HH12 ARG 12 HH11 ARG 12 -6.623 4.409 9.673
85 HH21 ARG 12 HH22 ARG 12 -3.310 3.299 9.554
86 HH22 ARG 12 HH21 ARG 12 -4.587 3.870 10.573
87 H LEU 13 H LEU 13 -4.223 -0.059 2.380
88 HA LEU 13 HA LEU 13 -2.174 -1.727 3.309
89 HB2 LEU 13 HB2 LEU 13 -4.248 -2.720 2.829
90 HB3 LEU 13 HB3 LEU 13 -4.280 -2.057 1.197
91 HG LEU 13 HG LEU 13 -2.211 -3.596 0.823
92 HD11 LEU 13 HD11 LEU 13 -1.668 -4.489 2.860
93 HD12 LEU 13 HD12 LEU 13 -2.726 -5.750 2.229
94 HD13 LEU 13 HD13 LEU 13 -3.347 -4.580 3.394
95 HD21 LEU 13 HD21 LEU 13 -4.683 -3.744 -0.010
96 HD22 LEU 13 HD22 LEU 13 -4.778 -5.088 1.128
97 HD23 LEU 13 HD23 LEU 13 -3.602 -5.126 -0.186
98 H ARG 14 H ARG 14 -2.653 -0.143 0.192
99 HA ARG 14 HA ARG 14 -0.616 -1.405 -1.245
100 HB2 ARG 14 HB2 ARG 14 -2.454 0.253 -2.030
101 HB3 ARG 14 HB3 ARG 14 -1.279 1.499 -1.631
102 HG2 ARG 14 HG2 ARG 14 -0.448 -0.758 -3.387
103 HG3 ARG 14 HG3 ARG 14 -1.444 0.537 -4.054
104 HD2 ARG 14 HD2 ARG 14 0.983 1.226 -2.462
105 HD3 ARG 14 HD3 ARG 14 1.170 0.687 -4.130
106 HE ARG 14 HE ARG 14 0.118 3.209 -3.227
107 HH11 ARG 14 HH12 ARG 14 0.213 0.902 -5.832
108 HH12 ARG 14 HH11 ARG 14 -0.185 2.067 -7.051
109 HH21 ARG 14 HH22 ARG 14 -0.408 4.751 -4.823
110 HH22 ARG 14 HH21 ARG 14 -0.538 4.256 -6.476
111 H LYS 15 H LYS 15 -0.525 1.298 0.999
112 HA LYS 15 HA LYS 15 2.091 2.180 0.461
113 HB2 LYS 15 HB2 LYS 15 0.367 3.415 1.798
114 HB3 LYS 15 HB3 LYS 15 0.652 2.287 3.116
115 HG2 LYS 15 HG2 LYS 15 1.920 4.185 3.637
116 HG3 LYS 15 HG3 LYS 15 3.081 3.009 3.017
117 HD2 LYS 15 HD2 LYS 15 2.716 4.146 0.744
118 HD3 LYS 15 HD3 LYS 15 1.979 5.456 1.670
119 HE2 LYS 15 HE2 LYS 15 4.729 4.381 2.251
120 HE3 LYS 15 HE3 LYS 15 4.438 5.711 1.131
121 HZ1 LYS 15 HZ1 LYS 15 4.893 6.752 3.137
122 HZ2 LYS 15 HZ2 LYS 15 4.011 5.635 4.050
123 HZ3 LYS 15 HZ3 LYS 15 3.202 6.765 3.086
124 H GLN 16 H GLN 16 0.839 -0.356 2.551
125 HA GLN 16 HA GLN 16 3.284 -0.885 3.898
126 HB2 GLN 16 HB2 GLN 16 0.671 -2.297 3.595
127 HB3 GLN 16 HB3 GLN 16 2.046 -3.200 4.216
128 HG2 GLN 16 HG2 GLN 16 1.396 -0.565 5.431
129 HG3 GLN 16 HG3 GLN 16 0.394 -1.960 5.825
130 HE21 GLN 16 HE21 GLN 16 3.719 -0.792 5.782
131 HE22 GLN 16 HE22 GLN 16 4.268 -1.763 7.102
132 H MET 17 H MET 17 1.672 -2.401 1.119
133 HA MET 17 HA MET 17 3.700 -4.342 0.685
134 HB2 MET 17 HB2 MET 17 2.595 -4.500 -1.614
135 HB3 MET 17 HB3 MET 17 1.590 -4.862 -0.217
136 HG2 MET 17 HG2 MET 17 0.535 -2.720 -0.339
137 HG3 MET 17 HG3 MET 17 1.651 -2.192 -1.596
138 HE1 MET 17 HE1 MET 17 -0.263 -5.894 -1.659
139 HE2 MET 17 HE2 MET 17 -0.894 -4.715 -0.509
140 HE3 MET 17 HE3 MET 17 -1.823 -5.125 -1.952
141 H ALA 18 H ALA 18 3.057 -1.138 -0.658
142 HA ALA 18 HA ALA 18 5.181 -1.236 -2.564
143 HB1 ALA 18 HB1 ALA 18 4.183 1.381 -1.597
144 HB2 ALA 18 HB2 ALA 18 4.474 0.814 -3.241
145 HB3 ALA 18 HB3 ALA 18 3.023 0.306 -2.377
146 H VAL 19 H VAL 19 4.916 -0.331 0.783
147 HA VAL 19 HA VAL 19 7.206 1.280 1.019
148 HB VAL 19 HB VAL 19 5.539 -0.289 2.916
149 HG11 VAL 19 HG11 VAL 19 8.379 0.491 3.404
150 HG12 VAL 19 HG12 VAL 19 7.212 0.579 4.725
151 HG13 VAL 19 HG13 VAL 19 7.508 -0.957 3.908
152 HG21 VAL 19 HG21 VAL 19 4.822 1.737 3.543
153 HG22 VAL 19 HG22 VAL 19 6.458 2.391 3.628
154 HG23 VAL 19 HG23 VAL 19 5.616 2.320 2.080
155 H LYS 20 H LYS 20 6.771 -2.217 1.480
156 HA LYS 20 HA LYS 20 9.396 -2.824 2.227
157 HB2 LYS 20 HB2 LYS 20 7.116 -4.356 1.082
158 HB3 LYS 20 HB3 LYS 20 8.706 -5.103 1.020
159 HG2 LYS 20 HG2 LYS 20 8.815 -5.392 3.266
160 HG3 LYS 20 HG3 LYS 20 7.852 -3.953 3.611
161 HD2 LYS 20 HD2 LYS 20 6.688 -6.445 2.387
162 HD3 LYS 20 HD3 LYS 20 6.764 -6.180 4.130
163 HE2 LYS 20 HE2 LYS 20 5.548 -3.996 3.706
164 HE3 LYS 20 HE3 LYS 20 5.266 -4.580 2.067
165 HZ1 LYS 20 HZ1 LYS 20 3.385 -5.081 3.457
166 HZ2 LYS 20 HZ2 LYS 20 4.364 -5.888 4.576
167 HZ3 LYS 20 HZ3 LYS 20 4.151 -6.526 3.024
168 H LYS 21 H LYS 21 7.893 -2.657 -0.974
169 HA LYS 21 HA LYS 21 10.034 -3.610 -2.489
170 HB2 LYS 21 HB2 LYS 21 7.760 -1.741 -3.080
171 HB3 LYS 21 HB3 LYS 21 8.999 -2.042 -4.292
172 HG2 LYS 21 HG2 LYS 21 7.581 -4.320 -2.971
173 HG3 LYS 21 HG3 LYS 21 6.841 -3.452 -4.318
174 HD2 LYS 21 HD2 LYS 21 8.781 -3.945 -5.713
175 HD3 LYS 21 HD3 LYS 21 9.551 -4.781 -4.363
176 HE2 LYS 21 HE2 LYS 21 8.613 -6.481 -5.687
177 HE3 LYS 21 HE3 LYS 21 7.502 -6.287 -4.332
178 HZ1 LYS 21 HZ1 LYS 21 6.903 -6.145 -7.030
179 HZ2 LYS 21 HZ2 LYS 21 6.763 -4.564 -6.446
180 HZ3 LYS 21 HZ3 LYS 21 5.872 -5.811 -5.731
181 H TYR 22 H TYR 22 9.387 -0.410 -1.185
182 HA TYR 22 HA TYR 22 11.430 0.946 -2.608
183 HB2 TYR 22 HB2 TYR 22 9.790 1.552 -0.176
184 HB3 TYR 22 HB3 TYR 22 11.170 2.573 -0.565
185 HD1 TYR 22 HD1 TYR 22 8.653 0.941 -2.786
186 HD2 TYR 22 HD2 TYR 22 10.312 4.583 -1.342
187 HE1 TYR 22 HE1 TYR 22 7.266 2.199 -4.381
188 HE2 TYR 22 HE2 TYR 22 8.929 5.851 -2.932
189 HH TYR 22 HH TYR 22 6.417 5.064 -4.220
190 H LEU 23 H LEU 23 11.291 -0.392 0.684
191 HA LEU 23 HA LEU 23 13.958 0.283 1.355
192 HB2 LEU 23 HB2 LEU 23 12.391 -1.992 2.537
193 HB3 LEU 23 HB3 LEU 23 13.654 -1.027 3.298
194 HG LEU 23 HG LEU 23 10.879 -0.070 2.596
195 HD11 LEU 23 HD11 LEU 23 10.804 0.132 5.155
196 HD12 LEU 23 HD12 LEU 23 12.158 -0.997 5.143
197 HD13 LEU 23 HD13 LEU 23 10.612 -1.468 4.438
198 HD21 LEU 23 HD21 LEU 23 12.408 1.546 4.443
199 HD22 LEU 23 HD22 LEU 23 11.554 2.016 2.974
200 HD23 LEU 23 HD23 LEU 23 13.210 1.414 2.878
201 H ASN 24 H ASN 24 12.476 -2.527 -0.139
202 HA ASN 24 HA ASN 24 14.671 -4.281 0.053
203 HB2 ASN 24 HB2 ASN 24 12.206 -4.740 -0.649
204 HB3 ASN 24 HB3 ASN 24 12.767 -4.336 -2.269
205 HD21 ASN 24 HD21 ASN 24 14.211 -5.694 -3.310
206 HD22 ASN 24 HD22 ASN 24 14.521 -7.304 -2.764
207 H SER 25 H SER 25 13.624 -2.165 -2.614
208 HA SER 25 HA SER 25 15.871 -2.746 -4.254
209 HB2 SER 25 HB2 SER 25 13.959 -1.957 -5.393
210 HB3 SER 25 HB3 SER 25 13.770 -0.586 -4.300
211 HG SER 25 HG SER 25 15.116 -0.700 -6.593
212 H ILE 26 H ILE 26 15.068 -0.052 -2.092
213 HA ILE 26 HA ILE 26 17.317 1.532 -2.597
214 HB ILE 26 HB ILE 26 15.665 1.267 -0.086
215 HG12 ILE 26 HG12 ILE 26 15.666 3.562 -2.028
216 HG13 ILE 26 HG13 ILE 26 14.692 2.128 -2.333
217 HG21 ILE 26 HG21 ILE 26 17.617 3.459 -0.768
218 HG22 ILE 26 HG22 ILE 26 16.667 3.294 0.709
219 HG23 ILE 26 HG23 ILE 26 17.953 2.140 0.354
220 HD11 ILE 26 HD11 ILE 26 14.139 4.362 -0.651
221 HD12 ILE 26 HD12 ILE 26 13.103 2.998 -1.072
222 HD13 ILE 26 HD13 ILE 26 14.180 2.891 0.320
223 H LEU 27 H LEU 27 16.781 -0.730 0.111
224 HA LEU 27 HA LEU 27 19.389 -0.567 1.140
225 HB2 LEU 27 HB2 LEU 27 17.268 -2.687 1.350
226 HB3 LEU 27 HB3 LEU 27 18.808 -2.793 2.201
227 HG LEU 27 HG LEU 27 17.069 -0.391 2.580
228 HD11 LEU 27 HD11 LEU 27 15.929 -1.501 4.422
229 HD12 LEU 27 HD12 LEU 27 16.736 -3.017 4.024
230 HD13 LEU 27 HD13 LEU 27 15.584 -2.308 2.893
231 HD21 LEU 27 HD21 LEU 27 18.101 -0.714 4.916
232 HD22 LEU 27 HD22 LEU 27 19.140 -0.137 3.612
233 HD23 LEU 27 HD23 LEU 27 19.207 -1.828 4.112
234 H ASN 28 H ASN 28 17.937 -2.718 -1.251
235 HA ASN 28 HA ASN 28 19.878 -4.637 -1.531
236 HB2 ASN 28 HB2 ASN 28 17.846 -4.801 -2.795
237 HB3 ASN 28 HB3 ASN 28 18.189 -3.300 -3.650
238 HD21 ASN 28 HD21 ASN 28 19.821 -6.386 -2.996
239 HD22 ASN 28 HD22 ASN 28 20.356 -6.639 -4.620
240 H GLY 29 H GLY 29 19.900 -1.328 -2.731
241 HA2 GLY 29 HA2 GLY 29 21.763 -0.031 -3.239
242 HA3 GLY 29 HA3 GLY 29 22.772 -1.458 -3.057
Start of MODEL 17
1 H1 HIS 1 H HIS 1 -15.425 2.930 -5.785
2 HA HIS 1 HA HIS 1 -15.579 5.547 -6.098
3 HB2 HIS 1 HB2 HIS 1 -17.700 3.477 -6.509
4 HB3 HIS 1 HB3 HIS 1 -18.087 5.169 -6.802
5 HD1 HIS 1 HD1 HIS 1 -15.406 2.686 -7.874
6 HD2 HIS 1 HD2 HIS 1 -17.535 5.944 -9.329
7 HE1 HIS 1 HE1 HIS 1 -14.690 2.940 -10.271
8 HE2 HIS 1 HE2 HIS 1 -15.927 4.969 -11.106
9 H SER 2 H SER 2 -17.873 3.826 -3.983
10 HA SER 2 HA SER 2 -18.463 6.400 -2.678
11 HB2 SER 2 HB2 SER 2 -20.155 3.892 -2.804
12 HB3 SER 2 HB3 SER 2 -20.594 5.378 -1.962
13 HG SER 2 HG SER 2 -20.173 6.329 -4.199
14 H ASP 3 H ASP 3 -18.010 2.935 -2.043
15 HA ASP 3 HA ASP 3 -17.996 3.069 0.750
16 HB2 ASP 3 HB2 ASP 3 -16.580 1.148 -1.109
17 HB3 ASP 3 HB3 ASP 3 -16.724 0.919 0.632
18 H ALA 4 H ALA 4 -16.812 4.864 1.428
19 HA ALA 4 HA ALA 4 -14.186 5.478 0.673
20 HB1 ALA 4 HB1 ALA 4 -14.312 7.156 2.184
21 HB2 ALA 4 HB2 ALA 4 -16.025 6.737 2.156
22 HB3 ALA 4 HB3 ALA 4 -14.988 6.122 3.443
23 H VAL 5 H VAL 5 -15.443 3.398 3.232
24 HA VAL 5 HA VAL 5 -12.965 2.907 4.509
25 HB VAL 5 HB VAL 5 -15.101 2.458 5.619
26 HG11 VAL 5 HG11 VAL 5 -15.473 -0.046 4.048
27 HG12 VAL 5 HG12 VAL 5 -16.658 0.924 4.925
28 HG13 VAL 5 HG13 VAL 5 -16.041 1.479 3.368
29 HG21 VAL 5 HG21 VAL 5 -13.095 0.273 5.289
30 HG22 VAL 5 HG22 VAL 5 -13.419 1.300 6.685
31 HG23 VAL 5 HG23 VAL 5 -14.528 -0.009 6.277
32 H PHE 6 H PHE 6 -14.715 1.250 1.924
33 HA PHE 6 HA PHE 6 -13.088 -1.020 1.730
34 HB2 PHE 6 HB2 PHE 6 -14.938 0.404 -0.138
35 HB3 PHE 6 HB3 PHE 6 -13.893 -0.858 -0.781
36 HD1 PHE 6 HD1 PHE 6 -16.180 -0.307 2.117
37 HD2 PHE 6 HD2 PHE 6 -14.747 -2.981 -0.869
38 HE1 PHE 6 HE1 PHE 6 -17.780 -2.013 2.882
39 HE2 PHE 6 HE2 PHE 6 -16.345 -4.690 -0.110
40 HZ PHE 6 HZ PHE 6 -17.865 -4.207 1.767
41 H THR 7 H THR 7 -12.973 1.986 -0.183
42 HA THR 7 HA THR 7 -10.590 1.305 -1.554
43 HB THR 7 HB THR 7 -12.194 2.993 -2.394
44 HG1 THR 7 HG1 THR 7 -10.485 4.578 -2.918
45 HG21 THR 7 HG21 THR 7 -12.482 4.020 -0.052
46 HG22 THR 7 HG22 THR 7 -12.456 5.113 -1.436
47 HG23 THR 7 HG23 THR 7 -11.022 4.933 -0.425
48 H ASP 8 H ASP 8 -11.248 3.127 1.392
49 HA ASP 8 HA ASP 8 -8.744 4.254 1.823
50 HB2 ASP 8 HB2 ASP 8 -11.026 3.471 3.564
51 HB3 ASP 8 HB3 ASP 8 -9.486 3.802 4.353
52 H ASN 9 H ASN 9 -9.920 1.009 2.533
53 HA ASN 9 HA ASN 9 -7.666 0.166 4.027
54 HB2 ASN 9 HB2 ASN 9 -9.984 -1.167 2.716
55 HB3 ASN 9 HB3 ASN 9 -8.590 -2.169 3.113
56 HD21 ASN 9 HD21 ASN 9 -10.328 0.502 4.683
57 HD22 ASN 9 HD22 ASN 9 -10.523 -0.297 6.202
58 H TYR 10 H TYR 10 -8.525 -0.098 0.602
59 HA TYR 10 HA TYR 10 -6.283 -1.635 -0.167
60 HB2 TYR 10 HB2 TYR 10 -7.849 0.289 -1.894
61 HB3 TYR 10 HB3 TYR 10 -6.885 -1.079 -2.439
62 HD1 TYR 10 HD1 TYR 10 -7.775 -3.130 -0.448
63 HD2 TYR 10 HD2 TYR 10 -9.986 -0.268 -2.689
64 HE1 TYR 10 HE1 TYR 10 -9.759 -4.579 -0.329
65 HE2 TYR 10 HE2 TYR 10 -11.977 -1.709 -2.576
66 HH TYR 10 HH TYR 10 -11.826 -4.950 -1.248
67 H THR 11 H THR 11 -6.908 1.859 -0.243
68 HA THR 11 HA THR 11 -4.523 2.667 -1.440
69 HB THR 11 HB THR 11 -6.105 4.173 0.652
70 HG1 THR 11 HG1 THR 11 -7.328 3.521 -1.220
71 HG21 THR 11 HG21 THR 11 -4.471 5.395 -1.546
72 HG22 THR 11 HG22 THR 11 -3.723 4.938 -0.016
73 HG23 THR 11 HG23 THR 11 -5.030 6.121 -0.040
74 H ARG 12 H ARG 12 -5.308 2.360 2.019
75 HA ARG 12 HA ARG 12 -2.737 3.099 2.939
76 HB2 ARG 12 HB2 ARG 12 -4.797 3.162 4.328
77 HB3 ARG 12 HB3 ARG 12 -4.809 1.404 4.342
78 HG2 ARG 12 HG2 ARG 12 -2.660 1.392 5.499
79 HG3 ARG 12 HG3 ARG 12 -2.640 3.157 5.477
80 HD2 ARG 12 HD2 ARG 12 -4.683 3.199 6.818
81 HD3 ARG 12 HD3 ARG 12 -4.717 1.436 6.828
82 HE ARG 12 HE ARG 12 -3.058 1.435 8.423
83 HH11 ARG 12 HH12 ARG 12 -3.424 4.635 7.102
84 HH12 ARG 12 HH11 ARG 12 -2.414 5.384 8.295
85 HH21 ARG 12 HH22 ARG 12 -1.727 2.409 9.998
86 HH22 ARG 12 HH21 ARG 12 -1.449 4.116 9.941
87 H LEU 13 H LEU 13 -4.236 -0.019 2.224
88 HA LEU 13 HA LEU 13 -2.190 -1.663 3.220
89 HB2 LEU 13 HB2 LEU 13 -4.331 -2.591 2.711
90 HB3 LEU 13 HB3 LEU 13 -4.206 -2.090 1.026
91 HG LEU 13 HG LEU 13 -2.124 -3.707 1.049
92 HD11 LEU 13 HD11 LEU 13 -1.917 -4.514 3.166
93 HD12 LEU 13 HD12 LEU 13 -3.015 -5.726 2.508
94 HD13 LEU 13 HD13 LEU 13 -3.646 -4.411 3.497
95 HD21 LEU 13 HD21 LEU 13 -3.416 -4.912 -0.305
96 HD22 LEU 13 HD22 LEU 13 -4.740 -3.840 0.150
97 HD23 LEU 13 HD23 LEU 13 -4.502 -5.362 1.010
98 H ARG 14 H ARG 14 -2.647 -0.126 0.079
99 HA ARG 14 HA ARG 14 -0.609 -1.414 -1.331
100 HB2 ARG 14 HB2 ARG 14 -2.433 0.240 -2.148
101 HB3 ARG 14 HB3 ARG 14 -1.258 1.487 -1.753
102 HG2 ARG 14 HG2 ARG 14 0.332 0.009 -3.226
103 HG3 ARG 14 HG3 ARG 14 -1.194 -0.571 -3.897
104 HD2 ARG 14 HD2 ARG 14 -1.793 1.552 -4.673
105 HD3 ARG 14 HD3 ARG 14 -0.624 2.360 -3.629
106 HE ARG 14 HE ARG 14 0.558 0.617 -5.592
107 HH11 ARG 14 HH12 ARG 14 -0.601 3.830 -4.921
108 HH12 ARG 14 HH11 ARG 14 0.370 4.578 -6.145
109 HH21 ARG 14 HH22 ARG 14 1.842 1.589 -7.208
110 HH22 ARG 14 HH21 ARG 14 1.759 3.302 -7.446
111 H LYS 15 H LYS 15 -0.517 1.314 0.881
112 HA LYS 15 HA LYS 15 2.105 2.180 0.347
113 HB2 LYS 15 HB2 LYS 15 0.346 3.408 1.677
114 HB3 LYS 15 HB3 LYS 15 0.695 2.320 3.014
115 HG2 LYS 15 HG2 LYS 15 2.007 4.111 3.557
116 HG3 LYS 15 HG3 LYS 15 3.153 3.129 2.641
117 HD2 LYS 15 HD2 LYS 15 2.266 4.506 0.607
118 HD3 LYS 15 HD3 LYS 15 1.752 5.648 1.851
119 HE2 LYS 15 HE2 LYS 15 4.015 5.842 2.665
120 HE3 LYS 15 HE3 LYS 15 4.560 4.590 1.549
121 HZ1 LYS 15 HZ1 LYS 15 4.772 7.162 1.016
122 HZ2 LYS 15 HZ2 LYS 15 3.225 6.903 0.382
123 HZ3 LYS 15 HZ3 LYS 15 4.537 6.005 -0.196
124 H GLN 16 H GLN 16 0.832 -0.329 2.457
125 HA GLN 16 HA GLN 16 3.268 -0.853 3.822
126 HB2 GLN 16 HB2 GLN 16 0.631 -2.202 3.555
127 HB3 GLN 16 HB3 GLN 16 1.986 -3.178 4.106
128 HG2 GLN 16 HG2 GLN 16 1.263 -0.566 5.391
129 HG3 GLN 16 HG3 GLN 16 0.543 -2.098 5.883
130 HE21 GLN 16 HE21 GLN 16 3.462 -0.208 5.756
131 HE22 GLN 16 HE22 GLN 16 4.360 -1.148 6.894
132 H MET 17 H MET 17 1.663 -2.394 1.053
133 HA MET 17 HA MET 17 3.685 -4.348 0.651
134 HB2 MET 17 HB2 MET 17 2.589 -4.527 -1.652
135 HB3 MET 17 HB3 MET 17 1.577 -4.870 -0.255
136 HG2 MET 17 HG2 MET 17 0.530 -2.727 -0.404
137 HG3 MET 17 HG3 MET 17 1.653 -2.215 -1.662
138 HE1 MET 17 HE1 MET 17 -1.960 -4.957 -1.997
139 HE2 MET 17 HE2 MET 17 -1.067 -4.511 -0.543
140 HE3 MET 17 HE3 MET 17 -2.063 -3.312 -1.368
141 H ALA 18 H ALA 18 3.065 -1.153 -0.723
142 HA ALA 18 HA ALA 18 5.193 -1.281 -2.623
143 HB1 ALA 18 HB1 ALA 18 4.214 1.352 -1.682
144 HB2 ALA 18 HB2 ALA 18 4.497 0.764 -3.321
145 HB3 ALA 18 HB3 ALA 18 3.044 0.278 -2.449
146 H VAL 19 H VAL 19 4.941 -0.396 0.722
147 HA VAL 19 HA VAL 19 7.216 1.232 0.968
148 HB VAL 19 HB VAL 19 5.579 -0.383 2.851
149 HG11 VAL 19 HG11 VAL 19 7.158 0.276 4.706
150 HG12 VAL 19 HG12 VAL 19 7.713 -1.028 3.654
151 HG13 VAL 19 HG13 VAL 19 8.357 0.602 3.455
152 HG21 VAL 19 HG21 VAL 19 6.550 2.362 3.410
153 HG22 VAL 19 HG22 VAL 19 5.427 2.155 2.066
154 HG23 VAL 19 HG23 VAL 19 4.964 1.643 3.689
155 H LYS 20 H LYS 20 6.822 -2.276 1.381
156 HA LYS 20 HA LYS 20 9.463 -2.860 2.095
157 HB2 LYS 20 HB2 LYS 20 7.173 -4.399 0.994
158 HB3 LYS 20 HB3 LYS 20 8.765 -5.131 0.851
159 HG2 LYS 20 HG2 LYS 20 7.630 -5.884 2.861
160 HG3 LYS 20 HG3 LYS 20 9.074 -4.952 3.263
161 HD2 LYS 20 HD2 LYS 20 7.600 -3.985 4.711
162 HD3 LYS 20 HD3 LYS 20 7.320 -2.961 3.300
163 HE2 LYS 20 HE2 LYS 20 5.192 -3.600 4.170
164 HE3 LYS 20 HE3 LYS 20 5.445 -4.485 2.666
165 HZ1 LYS 20 HZ1 LYS 20 4.724 -5.583 5.035
166 HZ2 LYS 20 HZ2 LYS 20 6.386 -5.893 4.985
167 HZ3 LYS 20 HZ3 LYS 20 5.389 -6.428 3.728
168 H LYS 21 H LYS 21 7.942 -2.485 -1.057
169 HA LYS 21 HA LYS 21 10.074 -3.462 -2.621
170 HB2 LYS 21 HB2 LYS 21 7.985 -1.394 -3.333
171 HB3 LYS 21 HB3 LYS 21 9.006 -2.252 -4.479
172 HG2 LYS 21 HG2 LYS 21 7.271 -3.801 -2.613
173 HG3 LYS 21 HG3 LYS 21 6.566 -3.042 -4.043
174 HD2 LYS 21 HD2 LYS 21 8.124 -4.239 -5.473
175 HD3 LYS 21 HD3 LYS 21 8.906 -4.950 -4.059
176 HE2 LYS 21 HE2 LYS 21 5.972 -5.323 -4.498
177 HE3 LYS 21 HE3 LYS 21 7.128 -6.314 -5.386
178 HZ1 LYS 21 HZ1 LYS 21 7.901 -6.298 -2.706
179 HZ2 LYS 21 HZ2 LYS 21 7.312 -7.600 -3.612
180 HZ3 LYS 21 HZ3 LYS 21 6.241 -6.621 -2.743
181 H TYR 22 H TYR 22 9.376 -0.294 -1.265
182 HA TYR 22 HA TYR 22 11.391 1.112 -2.689
183 HB2 TYR 22 HB2 TYR 22 9.728 1.679 -0.263
184 HB3 TYR 22 HB3 TYR 22 11.090 2.727 -0.643
185 HD1 TYR 22 HD1 TYR 22 8.595 1.054 -2.861
186 HD2 TYR 22 HD2 TYR 22 10.217 4.721 -1.439
187 HE1 TYR 22 HE1 TYR 22 7.190 2.288 -4.458
188 HE2 TYR 22 HE2 TYR 22 8.816 5.965 -3.032
189 HH TYR 22 HH TYR 22 6.280 4.462 -4.813
190 H LEU 23 H LEU 23 11.264 -0.243 0.596
191 HA LEU 23 HA LEU 23 13.941 0.470 1.242
192 HB2 LEU 23 HB2 LEU 23 12.405 -1.766 2.524
193 HB3 LEU 23 HB3 LEU 23 13.633 -0.725 3.240
194 HG LEU 23 HG LEU 23 10.909 0.253 2.402
195 HD11 LEU 23 HD11 LEU 23 11.840 -1.048 4.910
196 HD12 LEU 23 HD12 LEU 23 10.282 -1.155 4.091
197 HD13 LEU 23 HD13 LEU 23 10.692 0.286 5.022
198 HD21 LEU 23 HD21 LEU 23 11.595 2.274 3.037
199 HD22 LEU 23 HD22 LEU 23 13.233 1.621 3.025
200 HD23 LEU 23 HD23 LEU 23 12.305 1.649 4.525
201 H ASN 24 H ASN 24 12.421 -2.383 -0.133
202 HA ASN 24 HA ASN 24 14.578 -4.163 0.107
203 HB2 ASN 24 HB2 ASN 24 12.671 -5.283 -0.502
204 HB3 ASN 24 HB3 ASN 24 12.134 -4.002 -1.585
205 HD21 ASN 24 HD21 ASN 24 12.729 -4.040 -3.704
206 HD22 ASN 24 HD22 ASN 24 13.574 -5.358 -4.434
207 H SER 25 H SER 25 13.614 -2.093 -2.627
208 HA SER 25 HA SER 25 15.877 -2.756 -4.214
209 HB2 SER 25 HB2 SER 25 13.787 -1.911 -5.201
210 HB3 SER 25 HB3 SER 25 14.032 -0.361 -4.397
211 HG SER 25 HG SER 25 15.047 0.108 -6.183
212 H ILE 26 H ILE 26 15.148 -0.160 -1.950
213 HA ILE 26 HA ILE 26 17.413 1.437 -2.511
214 HB ILE 26 HB ILE 26 15.660 1.238 -0.068
215 HG12 ILE 26 HG12 ILE 26 15.917 3.591 -1.912
216 HG13 ILE 26 HG13 ILE 26 14.918 2.218 -2.375
217 HG21 ILE 26 HG21 ILE 26 18.069 2.946 -0.575
218 HG22 ILE 26 HG22 ILE 26 16.774 3.486 0.491
219 HG23 ILE 26 HG23 ILE 26 17.656 2.004 0.858
220 HD11 ILE 26 HD11 ILE 26 13.325 3.432 -1.350
221 HD12 ILE 26 HD12 ILE 26 13.970 2.642 0.090
222 HD13 ILE 26 HD13 ILE 26 14.477 4.281 -0.320
223 H LEU 27 H LEU 27 16.796 -0.651 0.320
224 HA LEU 27 HA LEU 27 19.429 -0.576 1.288
225 HB2 LEU 27 HB2 LEU 27 17.106 -2.412 1.708
226 HB3 LEU 27 HB3 LEU 27 18.678 -2.800 2.404
227 HG LEU 27 HG LEU 27 17.416 -0.140 2.940
228 HD11 LEU 27 HD11 LEU 27 15.623 -1.448 3.601
229 HD12 LEU 27 HD12 LEU 27 16.571 -1.315 5.081
230 HD13 LEU 27 HD13 LEU 27 16.654 -2.786 4.111
231 HD21 LEU 27 HD21 LEU 27 19.587 -0.202 3.751
232 HD22 LEU 27 HD22 LEU 27 19.475 -1.901 4.214
233 HD23 LEU 27 HD23 LEU 27 18.635 -0.671 5.160
234 H ASN 28 H ASN 28 17.815 -2.776 -0.945
235 HA ASN 28 HA ASN 28 19.568 -4.855 -1.132
236 HB2 ASN 28 HB2 ASN 28 17.694 -5.050 -2.500
237 HB3 ASN 28 HB3 ASN 28 17.909 -3.445 -3.193
238 HD21 ASN 28 HD21 ASN 28 18.011 -3.895 -5.305
239 HD22 ASN 28 HD22 ASN 28 19.185 -4.929 -6.037
240 H GLY 29 H GLY 29 19.944 -1.624 -2.495
241 HA2 GLY 29 HA2 GLY 29 22.184 -2.096 -4.108
242 HA3 GLY 29 HA3 GLY 29 21.766 -0.550 -3.385
Start of MODEL 18
1 H1 HIS 1 H HIS 1 -22.960 7.254 -4.783
2 HA HIS 1 HA HIS 1 -21.332 5.154 -4.079
3 HB2 HIS 1 HB2 HIS 1 -21.925 5.947 -6.415
4 HB3 HIS 1 HB3 HIS 1 -20.630 7.129 -6.253
5 HD1 HIS 1 HD1 HIS 1 -20.731 3.403 -5.459
6 HD2 HIS 1 HD2 HIS 1 -18.555 6.160 -7.679
7 HE1 HIS 1 HE1 HIS 1 -18.851 2.096 -6.499
8 HE2 HIS 1 HE2 HIS 1 -17.499 3.801 -7.768
9 H SER 2 H SER 2 -20.511 5.955 -1.986
10 HA SER 2 HA SER 2 -18.243 7.795 -2.208
11 HB2 SER 2 HB2 SER 2 -18.283 7.728 0.301
12 HB3 SER 2 HB3 SER 2 -19.771 8.338 -0.422
13 HG SER 2 HG SER 2 -20.756 6.808 0.604
14 H ASP 3 H ASP 3 -18.981 4.671 -0.653
15 HA ASP 3 HA ASP 3 -17.532 3.040 0.106
16 HB2 ASP 3 HB2 ASP 3 -16.092 2.282 -2.005
17 HB3 ASP 3 HB3 ASP 3 -17.827 1.992 -1.908
18 H ALA 4 H ALA 4 -16.529 5.517 0.864
19 HA ALA 4 HA ALA 4 -13.835 5.927 0.085
20 HB1 ALA 4 HB1 ALA 4 -14.144 7.805 1.222
21 HB2 ALA 4 HB2 ALA 4 -15.714 7.207 1.760
22 HB3 ALA 4 HB3 ALA 4 -14.273 6.898 2.729
23 H VAL 5 H VAL 5 -15.329 4.211 2.802
24 HA VAL 5 HA VAL 5 -12.961 3.559 4.168
25 HB VAL 5 HB VAL 5 -15.137 3.335 5.231
26 HG11 VAL 5 HG11 VAL 5 -15.590 1.097 3.260
27 HG12 VAL 5 HG12 VAL 5 -16.624 1.447 4.647
28 HG13 VAL 5 HG13 VAL 5 -16.466 2.625 3.343
29 HG21 VAL 5 HG21 VAL 5 -13.482 2.044 6.282
30 HG22 VAL 5 HG22 VAL 5 -14.855 0.951 6.100
31 HG23 VAL 5 HG23 VAL 5 -13.484 0.837 4.996
32 H PHE 6 H PHE 6 -14.715 1.911 1.585
33 HA PHE 6 HA PHE 6 -13.267 -0.490 1.594
34 HB2 PHE 6 HB2 PHE 6 -14.825 0.962 -0.530
35 HB3 PHE 6 HB3 PHE 6 -13.986 -0.544 -0.888
36 HD1 PHE 6 HD1 PHE 6 -16.689 0.999 1.066
37 HD2 PHE 6 HD2 PHE 6 -14.814 -2.637 -0.109
38 HE1 PHE 6 HE1 PHE 6 -18.611 -0.269 1.934
39 HE2 PHE 6 HE2 PHE 6 -16.733 -3.911 0.756
40 HZ PHE 6 HZ PHE 6 -18.636 -2.727 1.778
41 H THR 7 H THR 7 -12.845 2.389 -0.464
42 HA THR 7 HA THR 7 -10.492 1.466 -1.725
43 HB THR 7 HB THR 7 -11.941 3.292 -2.616
44 HG1 THR 7 HG1 THR 7 -9.152 3.631 -2.283
45 HG21 THR 7 HG21 THR 7 -11.628 5.567 -1.770
46 HG22 THR 7 HG22 THR 7 -10.586 4.952 -0.486
47 HG23 THR 7 HG23 THR 7 -12.294 4.514 -0.522
48 H ASP 8 H ASP 8 -11.055 3.423 1.154
49 HA ASP 8 HA ASP 8 -8.466 4.317 1.630
50 HB2 ASP 8 HB2 ASP 8 -10.066 5.272 3.021
51 HB3 ASP 8 HB3 ASP 8 -10.806 3.720 3.403
52 H ASN 9 H ASN 9 -9.993 1.246 2.481
53 HA ASN 9 HA ASN 9 -7.880 0.229 4.043
54 HB2 ASN 9 HB2 ASN 9 -10.164 -0.714 4.057
55 HB3 ASN 9 HB3 ASN 9 -9.922 -1.299 2.414
56 HD21 ASN 9 HD21 ASN 9 -10.470 -2.717 4.943
57 HD22 ASN 9 HD22 ASN 9 -9.204 -3.883 5.098
58 H TYR 10 H TYR 10 -8.615 -0.029 0.592
59 HA TYR 10 HA TYR 10 -6.512 -1.806 -0.047
60 HB2 TYR 10 HB2 TYR 10 -7.788 0.224 -1.887
61 HB3 TYR 10 HB3 TYR 10 -6.966 -1.262 -2.350
62 HD1 TYR 10 HD1 TYR 10 -8.178 -3.112 -0.313
63 HD2 TYR 10 HD2 TYR 10 -9.930 -0.131 -2.793
64 HE1 TYR 10 HE1 TYR 10 -10.320 -4.320 -0.243
65 HE2 TYR 10 HE2 TYR 10 -12.076 -1.331 -2.729
66 HH TYR 10 HH TYR 10 -13.247 -2.949 -1.563
67 H THR 11 H THR 11 -6.775 1.730 -0.200
68 HA THR 11 HA THR 11 -4.246 2.239 -1.295
69 HB THR 11 HB THR 11 -4.477 4.515 -0.285
70 HG1 THR 11 HG1 THR 11 -6.535 4.906 0.772
71 HG21 THR 11 HG21 THR 11 -6.509 5.130 -1.554
72 HG22 THR 11 HG22 THR 11 -6.900 3.418 -1.717
73 HG23 THR 11 HG23 THR 11 -5.441 4.065 -2.466
74 H ARG 12 H ARG 12 -5.302 2.133 2.100
75 HA ARG 12 HA ARG 12 -2.827 2.766 3.252
76 HB2 ARG 12 HB2 ARG 12 -5.210 1.231 4.271
77 HB3 ARG 12 HB3 ARG 12 -3.787 1.506 5.267
78 HG2 ARG 12 HG2 ARG 12 -4.089 3.912 5.061
79 HG3 ARG 12 HG3 ARG 12 -5.495 3.654 4.026
80 HD2 ARG 12 HD2 ARG 12 -6.773 2.790 5.780
81 HD3 ARG 12 HD3 ARG 12 -5.354 2.468 6.775
82 HE ARG 12 HE ARG 12 -5.670 5.250 6.246
83 HH11 ARG 12 HH12 ARG 12 -6.827 2.631 8.226
84 HH12 ARG 12 HH11 ARG 12 -7.314 3.660 9.532
85 HH21 ARG 12 HH22 ARG 12 -6.308 6.616 7.958
86 HH22 ARG 12 HH21 ARG 12 -7.019 5.927 9.378
87 H LEU 13 H LEU 13 -4.252 -0.352 2.370
88 HA LEU 13 HA LEU 13 -2.177 -1.952 3.436
89 HB2 LEU 13 HB2 LEU 13 -4.336 -2.897 2.965
90 HB3 LEU 13 HB3 LEU 13 -4.188 -2.486 1.257
91 HG LEU 13 HG LEU 13 -2.126 -4.084 1.340
92 HD11 LEU 13 HD11 LEU 13 -3.747 -5.121 3.659
93 HD12 LEU 13 HD12 LEU 13 -2.170 -4.341 3.790
94 HD13 LEU 13 HD13 LEU 13 -2.325 -5.879 2.941
95 HD21 LEU 13 HD21 LEU 13 -3.784 -4.776 -0.074
96 HD22 LEU 13 HD22 LEU 13 -5.030 -4.714 1.173
97 HD23 LEU 13 HD23 LEU 13 -3.873 -6.045 1.148
98 H ARG 14 H ARG 14 -2.728 -0.527 0.253
99 HA ARG 14 HA ARG 14 -0.670 -1.801 -1.143
100 HB2 ARG 14 HB2 ARG 14 -2.576 -0.169 -1.931
101 HB3 ARG 14 HB3 ARG 14 -1.339 1.060 -1.703
102 HG2 ARG 14 HG2 ARG 14 -0.633 -1.345 -3.291
103 HG3 ARG 14 HG3 ARG 14 -1.701 -0.145 -4.021
104 HD2 ARG 14 HD2 ARG 14 0.152 1.510 -3.087
105 HD3 ARG 14 HD3 ARG 14 1.156 0.069 -3.238
106 HE ARG 14 HE ARG 14 -0.292 0.437 -5.617
107 HH11 ARG 14 HH12 ARG 14 2.308 1.877 -3.804
108 HH12 ARG 14 HH11 ARG 14 3.095 2.531 -5.202
109 HH21 ARG 14 HH22 ARG 14 0.736 1.293 -7.466
110 HH22 ARG 14 HH21 ARG 14 2.200 2.198 -7.284
111 H LYS 15 H LYS 15 -0.633 1.014 0.961
112 HA LYS 15 HA LYS 15 1.956 1.932 0.355
113 HB2 LYS 15 HB2 LYS 15 0.200 3.184 1.643
114 HB3 LYS 15 HB3 LYS 15 0.546 2.144 3.019
115 HG2 LYS 15 HG2 LYS 15 1.737 4.147 3.373
116 HG3 LYS 15 HG3 LYS 15 2.929 2.941 2.882
117 HD2 LYS 15 HD2 LYS 15 2.405 3.899 0.481
118 HD3 LYS 15 HD3 LYS 15 1.904 5.317 1.406
119 HE2 LYS 15 HE2 LYS 15 4.188 5.016 2.605
120 HE3 LYS 15 HE3 LYS 15 4.606 4.050 1.191
121 HZ1 LYS 15 HZ1 LYS 15 5.144 5.966 0.235
122 HZ2 LYS 15 HZ2 LYS 15 4.420 6.887 1.455
123 HZ3 LYS 15 HZ3 LYS 15 3.491 6.320 0.160
124 H GLN 16 H GLN 16 0.783 -0.519 2.587
125 HA GLN 16 HA GLN 16 3.247 -0.914 3.942
126 HB2 GLN 16 HB2 GLN 16 0.776 -2.614 3.646
127 HB3 GLN 16 HB3 GLN 16 2.169 -3.133 4.586
128 HG2 GLN 16 HG2 GLN 16 0.343 -0.808 5.095
129 HG3 GLN 16 HG3 GLN 16 0.648 -2.210 6.120
130 HE21 GLN 16 HE21 GLN 16 3.033 -2.444 6.730
131 HE22 GLN 16 HE22 GLN 16 3.820 -0.997 7.251
132 H MET 17 H MET 17 1.663 -2.614 1.255
133 HA MET 17 HA MET 17 3.733 -4.526 0.910
134 HB2 MET 17 HB2 MET 17 2.631 -4.821 -1.376
135 HB3 MET 17 HB3 MET 17 1.632 -5.131 0.038
136 HG2 MET 17 HG2 MET 17 0.544 -3.010 -0.190
137 HG3 MET 17 HG3 MET 17 1.642 -2.539 -1.485
138 HE1 MET 17 HE1 MET 17 -2.152 -4.551 -1.331
139 HE2 MET 17 HE2 MET 17 -1.141 -5.994 -1.393
140 HE3 MET 17 HE3 MET 17 -0.873 -4.782 -0.139
141 H ALA 18 H ALA 18 3.020 -1.407 -0.591
142 HA ALA 18 HA ALA 18 5.148 -1.553 -2.489
143 HB1 ALA 18 HB1 ALA 18 4.392 0.438 -3.273
144 HB2 ALA 18 HB2 ALA 18 2.954 -0.049 -2.374
145 HB3 ALA 18 HB3 ALA 18 4.097 1.089 -1.660
146 H VAL 19 H VAL 19 4.875 -0.537 0.816
147 HA VAL 19 HA VAL 19 7.101 1.166 0.988
148 HB VAL 19 HB VAL 19 5.516 -0.418 2.941
149 HG11 VAL 19 HG11 VAL 19 8.283 0.631 3.467
150 HG12 VAL 19 HG12 VAL 19 7.098 0.405 4.755
151 HG13 VAL 19 HG13 VAL 19 7.636 -0.976 3.798
152 HG21 VAL 19 HG21 VAL 19 6.417 2.383 3.355
153 HG22 VAL 19 HG22 VAL 19 5.262 2.067 2.060
154 HG23 VAL 19 HG23 VAL 19 4.866 1.627 3.722
155 H LYS 20 H LYS 20 6.814 -2.333 1.546
156 HA LYS 20 HA LYS 20 9.467 -2.814 2.281
157 HB2 LYS 20 HB2 LYS 20 7.226 -4.454 1.228
158 HB3 LYS 20 HB3 LYS 20 8.840 -5.144 1.106
159 HG2 LYS 20 HG2 LYS 20 7.722 -5.864 3.140
160 HG3 LYS 20 HG3 LYS 20 9.145 -4.888 3.509
161 HD2 LYS 20 HD2 LYS 20 7.653 -3.910 4.930
162 HD3 LYS 20 HD3 LYS 20 7.343 -2.938 3.489
163 HE2 LYS 20 HE2 LYS 20 5.234 -3.598 4.383
164 HE3 LYS 20 HE3 LYS 20 5.505 -4.532 2.913
165 HZ1 LYS 20 HZ1 LYS 20 5.029 -5.469 5.520
166 HZ2 LYS 20 HZ2 LYS 20 6.563 -5.989 5.035
167 HZ3 LYS 20 HZ3 LYS 20 5.207 -6.363 4.095
168 H LYS 21 H LYS 21 7.929 -2.837 -0.913
169 HA LYS 21 HA LYS 21 10.092 -3.726 -2.422
170 HB2 LYS 21 HB2 LYS 21 7.694 -2.042 -3.000
171 HB3 LYS 21 HB3 LYS 21 8.959 -2.149 -4.217
172 HG2 LYS 21 HG2 LYS 21 7.641 -4.560 -2.998
173 HG3 LYS 21 HG3 LYS 21 7.062 -3.772 -4.468
174 HD2 LYS 21 HD2 LYS 21 9.935 -4.541 -4.301
175 HD3 LYS 21 HD3 LYS 21 8.737 -5.810 -4.568
176 HE2 LYS 21 HE2 LYS 21 9.181 -5.234 -6.733
177 HE3 LYS 21 HE3 LYS 21 7.862 -4.115 -6.392
178 HZ1 LYS 21 HZ1 LYS 21 10.157 -2.824 -5.589
179 HZ2 LYS 21 HZ2 LYS 21 9.239 -2.496 -6.971
180 HZ3 LYS 21 HZ3 LYS 21 10.560 -3.548 -7.064
181 H TYR 22 H TYR 22 9.339 -0.520 -1.194
182 HA TYR 22 HA TYR 22 11.317 0.874 -2.671
183 HB2 TYR 22 HB2 TYR 22 9.675 1.479 -0.241
184 HB3 TYR 22 HB3 TYR 22 11.018 2.537 -0.660
185 HD1 TYR 22 HD1 TYR 22 8.499 0.777 -2.784
186 HD2 TYR 22 HD2 TYR 22 10.136 4.495 -1.521
187 HE1 TYR 22 HE1 TYR 22 7.061 1.951 -4.398
188 HE2 TYR 22 HE2 TYR 22 8.702 5.680 -3.130
189 HH TYR 22 HH TYR 22 6.947 4.044 -5.579
190 H LEU 23 H LEU 23 11.259 -0.368 0.662
191 HA LEU 23 HA LEU 23 13.884 0.425 1.318
192 HB2 LEU 23 HB2 LEU 23 12.446 -1.942 2.485
193 HB3 LEU 23 HB3 LEU 23 13.665 -0.925 3.251
194 HG LEU 23 HG LEU 23 10.818 -0.161 2.612
195 HD11 LEU 23 HD11 LEU 23 10.740 -1.475 4.525
196 HD12 LEU 23 HD12 LEU 23 10.864 0.163 5.165
197 HD13 LEU 23 HD13 LEU 23 12.288 -0.876 5.121
198 HD21 LEU 23 HD21 LEU 23 12.150 1.699 4.307
199 HD22 LEU 23 HD22 LEU 23 11.411 1.972 2.729
200 HD23 LEU 23 HD23 LEU 23 13.104 1.489 2.839
201 H ASN 24 H ASN 24 12.566 -2.555 -0.043
202 HA ASN 24 HA ASN 24 14.897 -4.109 0.084
203 HB2 ASN 24 HB2 ASN 24 13.095 -5.423 -0.439
204 HB3 ASN 24 HB3 ASN 24 12.366 -4.199 -1.474
205 HD21 ASN 24 HD21 ASN 24 12.128 -5.063 -3.405
206 HD22 ASN 24 HD22 ASN 24 13.337 -5.931 -4.283
207 H SER 25 H SER 25 13.634 -2.057 -2.529
208 HA SER 25 HA SER 25 15.816 -2.537 -4.286
209 HB2 SER 25 HB2 SER 25 13.712 -0.367 -4.217
210 HB3 SER 25 HB3 SER 25 14.913 -0.511 -5.500
211 HG SER 25 HG SER 25 14.076 -2.736 -5.722
212 H ILE 26 H ILE 26 15.031 0.085 -2.035
213 HA ILE 26 HA ILE 26 17.213 1.745 -2.643
214 HB ILE 26 HB ILE 26 15.591 1.456 -0.119
215 HG12 ILE 26 HG12 ILE 26 15.634 3.798 -2.001
216 HG13 ILE 26 HG13 ILE 26 14.654 2.381 -2.361
217 HG21 ILE 26 HG21 ILE 26 17.618 3.596 -0.751
218 HG22 ILE 26 HG22 ILE 26 16.604 3.498 0.688
219 HG23 ILE 26 HG23 ILE 26 17.853 2.285 0.405
220 HD11 ILE 26 HD11 ILE 26 13.453 2.670 -0.266
221 HD12 ILE 26 HD12 ILE 26 14.447 4.078 0.114
222 HD13 ILE 26 HD13 ILE 26 13.353 4.118 -1.269
223 H LEU 27 H LEU 27 16.812 -0.492 0.111
224 HA LEU 27 HA LEU 27 19.444 -0.262 1.055
225 HB2 LEU 27 HB2 LEU 27 17.302 -2.329 1.378
226 HB3 LEU 27 HB3 LEU 27 18.905 -2.580 2.065
227 HG LEU 27 HG LEU 27 17.330 -0.113 2.712
228 HD11 LEU 27 HD11 LEU 27 17.170 -2.708 4.232
229 HD12 LEU 27 HD12 LEU 27 15.914 -2.115 3.145
230 HD13 LEU 27 HD13 LEU 27 16.331 -1.198 4.592
231 HD21 LEU 27 HD21 LEU 27 19.659 -0.113 3.342
232 HD22 LEU 27 HD22 LEU 27 19.481 -1.681 4.130
233 HD23 LEU 27 HD23 LEU 27 18.661 -0.264 4.789
234 H ASN 28 H ASN 28 17.977 -2.461 -1.280
235 HA ASN 28 HA ASN 28 19.969 -4.332 -1.594
236 HB2 ASN 28 HB2 ASN 28 17.902 -3.177 -3.397
237 HB3 ASN 28 HB3 ASN 28 19.183 -4.128 -4.144
238 HD21 ASN 28 HD21 ASN 28 17.845 -5.793 -4.740
239 HD22 ASN 28 HD22 ASN 28 17.134 -6.881 -3.601
240 H GLY 29 H GLY 29 19.857 -1.029 -2.779
241 HA2 GLY 29 HA2 GLY 29 21.780 -0.938 -4.701
242 HA3 GLY 29 HA3 GLY 29 21.583 0.324 -3.494
Start of MODEL 19
1 H1 HIS 1 H HIS 1 -15.098 -3.597 -6.490
2 HA HIS 1 HA HIS 1 -17.639 -2.125 -6.738
3 HB2 HIS 1 HB2 HIS 1 -16.564 -3.233 -4.148
4 HB3 HIS 1 HB3 HIS 1 -18.179 -2.612 -4.476
5 HD1 HIS 1 HD1 HIS 1 -18.903 -4.216 -6.972
6 HD2 HIS 1 HD2 HIS 1 -17.050 -5.854 -3.634
7 HE1 HIS 1 HE1 HIS 1 -19.428 -6.675 -7.050
8 HE2 HIS 1 HE2 HIS 1 -18.368 -7.630 -4.974
9 H SER 2 H SER 2 -17.445 0.001 -6.553
10 HA SER 2 HA SER 2 -14.970 1.103 -5.444
11 HB2 SER 2 HB2 SER 2 -15.963 1.726 -7.768
12 HB3 SER 2 HB3 SER 2 -17.077 2.731 -6.839
13 HG SER 2 HG SER 2 -15.457 4.095 -7.091
14 H ASP 3 H ASP 3 -15.104 1.410 -3.310
15 HA ASP 3 HA ASP 3 -17.328 3.034 -2.302
16 HB2 ASP 3 HB2 ASP 3 -17.468 0.447 -1.826
17 HB3 ASP 3 HB3 ASP 3 -16.276 0.822 -0.584
18 H ALA 4 H ALA 4 -16.839 4.281 -0.442
19 HA ALA 4 HA ALA 4 -14.291 5.419 -0.404
20 HB1 ALA 4 HB1 ALA 4 -16.003 5.552 2.031
21 HB2 ALA 4 HB2 ALA 4 -15.080 6.824 1.228
22 HB3 ALA 4 HB3 ALA 4 -16.595 6.257 0.527
23 H VAL 5 H VAL 5 -15.765 3.096 1.854
24 HA VAL 5 HA VAL 5 -13.484 2.862 3.519
25 HB VAL 5 HB VAL 5 -15.761 2.227 4.245
26 HG11 VAL 5 HG11 VAL 5 -15.426 -0.298 2.653
27 HG12 VAL 5 HG12 VAL 5 -16.865 0.299 3.482
28 HG13 VAL 5 HG13 VAL 5 -16.291 1.102 2.021
29 HG21 VAL 5 HG21 VAL 5 -14.867 0.895 5.799
30 HG22 VAL 5 HG22 VAL 5 -14.434 -0.337 4.614
31 HG23 VAL 5 HG23 VAL 5 -13.362 1.035 4.891
32 H PHE 6 H PHE 6 -14.650 1.020 0.739
33 HA PHE 6 HA PHE 6 -12.816 -1.091 0.857
34 HB2 PHE 6 HB2 PHE 6 -14.471 0.133 -1.310
35 HB3 PHE 6 HB3 PHE 6 -13.229 -1.033 -1.751
36 HD1 PHE 6 HD1 PHE 6 -15.966 -0.672 0.761
37 HD2 PHE 6 HD2 PHE 6 -13.878 -3.220 -1.934
38 HE1 PHE 6 HE1 PHE 6 -17.506 -2.511 1.312
39 HE2 PHE 6 HE2 PHE 6 -15.415 -5.062 -1.388
40 HZ PHE 6 HZ PHE 6 -17.232 -4.709 0.236
41 H THR 7 H THR 7 -12.674 1.890 -1.092
42 HA THR 7 HA THR 7 -10.052 1.417 -2.057
43 HB THR 7 HB THR 7 -11.690 2.946 -3.154
44 HG1 THR 7 HG1 THR 7 -9.228 3.070 -3.273
45 HG21 THR 7 HG21 THR 7 -12.300 4.994 -2.289
46 HG22 THR 7 HG22 THR 7 -10.883 5.094 -1.243
47 HG23 THR 7 HG23 THR 7 -12.218 4.023 -0.820
48 H ASP 8 H ASP 8 -11.330 3.209 0.698
49 HA ASP 8 HA ASP 8 -9.039 4.573 1.481
50 HB2 ASP 8 HB2 ASP 8 -11.486 3.602 2.867
51 HB3 ASP 8 HB3 ASP 8 -10.126 4.088 3.877
52 H ASN 9 H ASN 9 -10.064 1.268 2.225
53 HA ASN 9 HA ASN 9 -7.893 0.704 3.974
54 HB2 ASN 9 HB2 ASN 9 -10.170 -0.520 3.726
55 HB3 ASN 9 HB3 ASN 9 -9.374 -1.407 2.429
56 HD21 ASN 9 HD21 ASN 9 -10.395 -2.386 4.956
57 HD22 ASN 9 HD22 ASN 9 -9.057 -3.109 5.776
58 H TYR 10 H TYR 10 -8.435 0.299 0.522
59 HA TYR 10 HA TYR 10 -6.188 -1.308 -0.029
60 HB2 TYR 10 HB2 TYR 10 -7.565 0.678 -1.849
61 HB3 TYR 10 HB3 TYR 10 -6.500 -0.627 -2.360
62 HD1 TYR 10 HD1 TYR 10 -7.680 -2.620 -0.252
63 HD2 TYR 10 HD2 TYR 10 -9.416 -0.095 -3.204
64 HE1 TYR 10 HE1 TYR 10 -9.610 -4.137 -0.406
65 HE2 TYR 10 HE2 TYR 10 -11.351 -1.605 -3.365
66 HH TYR 10 HH TYR 10 -11.927 -4.103 -1.104
67 H THR 11 H THR 11 -6.604 2.156 0.297
68 HA THR 11 HA THR 11 -4.126 2.942 -0.811
69 HB THR 11 HB THR 11 -5.669 4.408 1.333
70 HG1 THR 11 HG1 THR 11 -7.046 5.022 -0.183
71 HG21 THR 11 HG21 THR 11 -4.482 6.075 -0.657
72 HG22 THR 11 HG22 THR 11 -3.253 4.976 -0.029
73 HG23 THR 11 HG23 THR 11 -4.152 6.017 1.074
74 H ARG 12 H ARG 12 -5.136 2.201 2.504
75 HA ARG 12 HA ARG 12 -2.597 2.810 3.659
76 HB2 ARG 12 HB2 ARG 12 -3.523 1.649 5.667
77 HB3 ARG 12 HB3 ARG 12 -4.552 2.935 5.048
78 HG2 ARG 12 HG2 ARG 12 -5.976 1.281 3.959
79 HG3 ARG 12 HG3 ARG 12 -4.940 -0.012 4.565
80 HD2 ARG 12 HD2 ARG 12 -6.049 1.921 6.528
81 HD3 ARG 12 HD3 ARG 12 -7.151 0.737 5.826
82 HE ARG 12 HE ARG 12 -5.041 -0.763 6.624
83 HH11 ARG 12 HH12 ARG 12 -7.064 1.581 8.216
84 HH12 ARG 12 HH11 ARG 12 -6.910 0.847 9.778
85 HH21 ARG 12 HH22 ARG 12 -4.829 -1.738 8.675
86 HH22 ARG 12 HH21 ARG 12 -5.637 -1.041 10.038
87 H LEU 13 H LEU 13 -4.230 -0.191 2.708
88 HA LEU 13 HA LEU 13 -2.281 -1.983 3.621
89 HB2 LEU 13 HB2 LEU 13 -4.501 -2.700 2.967
90 HB3 LEU 13 HB3 LEU 13 -4.190 -2.220 1.300
91 HG LEU 13 HG LEU 13 -2.237 -3.986 1.526
92 HD11 LEU 13 HD11 LEU 13 -2.308 -4.829 3.631
93 HD12 LEU 13 HD12 LEU 13 -3.460 -5.925 2.870
94 HD13 LEU 13 HD13 LEU 13 -4.041 -4.549 3.808
95 HD21 LEU 13 HD21 LEU 13 -3.849 -5.713 0.695
96 HD22 LEU 13 HD22 LEU 13 -3.929 -4.163 -0.142
97 HD23 LEU 13 HD23 LEU 13 -5.152 -4.582 1.059
98 H ARG 14 H ARG 14 -2.608 -0.265 0.553
99 HA ARG 14 HA ARG 14 -0.570 -1.548 -0.866
100 HB2 ARG 14 HB2 ARG 14 -2.333 0.209 -1.634
101 HB3 ARG 14 HB3 ARG 14 -1.107 1.387 -1.183
102 HG2 ARG 14 HG2 ARG 14 0.411 -0.174 -2.694
103 HG3 ARG 14 HG3 ARG 14 -1.152 -0.545 -3.426
104 HD2 ARG 14 HD2 ARG 14 -0.398 1.259 -4.680
105 HD3 ARG 14 HD3 ARG 14 -1.471 2.012 -3.501
106 HE ARG 14 HE ARG 14 1.221 1.953 -2.579
107 HH11 ARG 14 HH12 ARG 14 -0.957 3.631 -4.715
108 HH12 ARG 14 HH11 ARG 14 -0.078 5.123 -4.651
109 HH21 ARG 14 HH22 ARG 14 2.386 3.911 -2.487
110 HH22 ARG 14 HH21 ARG 14 1.824 5.281 -3.384
111 H LYS 15 H LYS 15 -0.462 1.097 1.450
112 HA LYS 15 HA LYS 15 2.154 1.969 1.040
113 HB2 LYS 15 HB2 LYS 15 0.803 3.297 2.438
114 HB3 LYS 15 HB3 LYS 15 0.372 1.934 3.463
115 HG2 LYS 15 HG2 LYS 15 1.912 3.458 4.582
116 HG3 LYS 15 HG3 LYS 15 2.629 1.861 4.355
117 HD2 LYS 15 HD2 LYS 15 4.289 3.495 3.813
118 HD3 LYS 15 HD3 LYS 15 3.756 2.747 2.305
119 HE2 LYS 15 HE2 LYS 15 3.914 5.108 1.951
120 HE3 LYS 15 HE3 LYS 15 2.206 4.671 1.979
121 HZ1 LYS 15 HZ1 LYS 15 3.337 5.438 4.535
122 HZ2 LYS 15 HZ2 LYS 15 1.850 5.847 3.842
123 HZ3 LYS 15 HZ3 LYS 15 3.251 6.678 3.388
124 H GLN 16 H GLN 16 0.923 -0.600 3.155
125 HA GLN 16 HA GLN 16 3.349 -1.293 4.361
126 HB2 GLN 16 HB2 GLN 16 0.760 -2.700 3.889
127 HB3 GLN 16 HB3 GLN 16 2.137 -3.645 4.439
128 HG2 GLN 16 HG2 GLN 16 1.181 -1.172 5.850
129 HG3 GLN 16 HG3 GLN 16 0.591 -2.789 6.227
130 HE21 GLN 16 HE21 GLN 16 2.953 -0.484 6.835
131 HE22 GLN 16 HE22 GLN 16 4.044 -1.468 7.744
132 H MET 17 H MET 17 1.807 -2.560 1.423
133 HA MET 17 HA MET 17 3.868 -4.430 0.850
134 HB2 MET 17 HB2 MET 17 1.838 -3.199 -1.023
135 HB3 MET 17 HB3 MET 17 2.794 -4.640 -1.341
136 HG2 MET 17 HG2 MET 17 1.079 -4.585 1.084
137 HG3 MET 17 HG3 MET 17 0.315 -4.790 -0.490
138 HE1 MET 17 HE1 MET 17 1.132 -7.724 2.156
139 HE2 MET 17 HE2 MET 17 -0.018 -6.445 1.764
140 HE3 MET 17 HE3 MET 17 -0.117 -8.004 0.943
141 H ALA 18 H ALA 18 3.280 -1.085 -0.046
142 HA ALA 18 HA ALA 18 5.357 -0.960 -2.006
143 HB1 ALA 18 HB1 ALA 18 4.446 1.514 -0.653
144 HB2 ALA 18 HB2 ALA 18 4.689 1.182 -2.368
145 HB3 ALA 18 HB3 ALA 18 3.243 0.589 -1.551
146 H VAL 19 H VAL 19 5.202 -0.615 1.437
147 HA VAL 19 HA VAL 19 7.498 0.937 1.885
148 HB VAL 19 HB VAL 19 5.889 -0.951 3.517
149 HG11 VAL 19 HG11 VAL 19 7.477 -0.796 5.395
150 HG12 VAL 19 HG12 VAL 19 8.132 -1.707 4.033
151 HG13 VAL 19 HG13 VAL 19 8.653 -0.046 4.316
152 HG21 VAL 19 HG21 VAL 19 6.100 1.070 5.088
153 HG22 VAL 19 HG22 VAL 19 6.801 1.901 3.700
154 HG23 VAL 19 HG23 VAL 19 5.159 1.266 3.610
155 H LYS 20 H LYS 20 7.094 -2.599 1.797
156 HA LYS 20 HA LYS 20 9.834 -3.186 2.208
157 HB2 LYS 20 HB2 LYS 20 9.273 -5.437 1.768
158 HB3 LYS 20 HB3 LYS 20 7.849 -4.745 2.533
159 HG2 LYS 20 HG2 LYS 20 7.142 -4.316 0.027
160 HG3 LYS 20 HG3 LYS 20 8.251 -5.658 -0.262
161 HD2 LYS 20 HD2 LYS 20 5.909 -6.389 0.054
162 HD3 LYS 20 HD3 LYS 20 7.008 -7.066 1.257
163 HE2 LYS 20 HE2 LYS 20 5.694 -4.508 1.945
164 HE3 LYS 20 HE3 LYS 20 4.659 -5.933 1.879
165 HZ1 LYS 20 HZ1 LYS 20 6.511 -5.169 3.879
166 HZ2 LYS 20 HZ2 LYS 20 6.921 -6.692 3.268
167 HZ3 LYS 20 HZ3 LYS 20 5.376 -6.423 3.902
168 H LYS 21 H LYS 21 7.871 -2.704 -0.675
169 HA LYS 21 HA LYS 21 9.770 -3.578 -2.567
170 HB2 LYS 21 HB2 LYS 21 7.455 -1.654 -2.767
171 HB3 LYS 21 HB3 LYS 21 8.435 -2.111 -4.154
172 HG2 LYS 21 HG2 LYS 21 7.180 -4.233 -2.475
173 HG3 LYS 21 HG3 LYS 21 6.206 -3.354 -3.656
174 HD2 LYS 21 HD2 LYS 21 8.827 -4.604 -4.413
175 HD3 LYS 21 HD3 LYS 21 7.333 -5.543 -4.398
176 HE2 LYS 21 HE2 LYS 21 6.327 -4.043 -5.999
177 HE3 LYS 21 HE3 LYS 21 7.734 -2.982 -5.940
178 HZ1 LYS 21 HZ1 LYS 21 9.033 -4.509 -7.077
179 HZ2 LYS 21 HZ2 LYS 21 7.541 -4.630 -7.865
180 HZ3 LYS 21 HZ3 LYS 21 8.003 -5.809 -6.743
181 H TYR 22 H TYR 22 9.141 -0.418 -1.116
182 HA TYR 22 HA TYR 22 11.042 0.980 -2.715
183 HB2 TYR 22 HB2 TYR 22 9.466 1.611 -0.250
184 HB3 TYR 22 HB3 TYR 22 10.800 2.664 -0.708
185 HD1 TYR 22 HD1 TYR 22 8.158 0.902 -2.684
186 HD2 TYR 22 HD2 TYR 22 9.975 4.605 -1.640
187 HE1 TYR 22 HE1 TYR 22 6.685 2.066 -4.273
188 HE2 TYR 22 HE2 TYR 22 8.506 5.780 -3.225
189 HH TYR 22 HH TYR 22 7.193 4.916 -5.502
190 H LEU 23 H LEU 23 11.083 -0.103 0.681
191 HA LEU 23 HA LEU 23 13.746 0.654 1.192
192 HB2 LEU 23 HB2 LEU 23 13.551 -0.494 3.217
193 HB3 LEU 23 HB3 LEU 23 11.921 0.072 2.858
194 HG LEU 23 HG LEU 23 11.663 -2.344 1.841
195 HD11 LEU 23 HD11 LEU 23 14.212 -2.631 2.528
196 HD12 LEU 23 HD12 LEU 23 13.067 -3.971 2.573
197 HD13 LEU 23 HD13 LEU 23 13.475 -3.110 4.057
198 HD21 LEU 23 HD21 LEU 23 10.872 -3.113 4.062
199 HD22 LEU 23 HD22 LEU 23 10.297 -1.502 3.632
200 HD23 LEU 23 HD23 LEU 23 11.621 -1.688 4.784
201 H ASN 24 H ASN 24 12.327 -2.284 -0.107
202 HA ASN 24 HA ASN 24 14.631 -3.909 0.059
203 HB2 ASN 24 HB2 ASN 24 12.502 -4.958 -0.277
204 HB3 ASN 24 HB3 ASN 24 12.209 -4.028 -1.744
205 HD21 ASN 24 HD21 ASN 24 13.726 -4.401 -3.540
206 HD22 ASN 24 HD22 ASN 24 14.329 -6.003 -3.777
207 H SER 25 H SER 25 13.342 -1.861 -2.534
208 HA SER 25 HA SER 25 15.368 -2.493 -4.415
209 HB2 SER 25 HB2 SER 25 13.423 -0.191 -4.207
210 HB3 SER 25 HB3 SER 25 14.557 -0.362 -5.547
211 HG SER 25 HG SER 25 12.366 -1.981 -4.849
212 H ILE 26 H ILE 26 14.928 0.214 -2.163
213 HA ILE 26 HA ILE 26 17.172 1.704 -2.896
214 HB ILE 26 HB ILE 26 15.847 1.463 -0.194
215 HG12 ILE 26 HG12 ILE 26 15.610 3.701 -2.201
216 HG13 ILE 26 HG13 ILE 26 14.525 2.315 -2.212
217 HG21 ILE 26 HG21 ILE 26 17.390 2.802 0.672
218 HG22 ILE 26 HG22 ILE 26 18.318 2.632 -0.817
219 HG23 ILE 26 HG23 ILE 26 17.177 3.964 -0.637
220 HD11 ILE 26 HD11 ILE 26 13.471 2.953 -0.294
221 HD12 ILE 26 HD12 ILE 26 14.876 3.823 0.322
222 HD13 ILE 26 HD13 ILE 26 13.896 4.528 -0.964
223 H LEU 27 H LEU 27 16.838 -0.708 -0.294
224 HA LEU 27 HA LEU 27 19.581 -0.635 0.436
225 HB2 LEU 27 HB2 LEU 27 17.497 -2.760 0.918
226 HB3 LEU 27 HB3 LEU 27 19.073 -2.682 1.704
227 HG LEU 27 HG LEU 27 17.060 -0.467 1.972
228 HD11 LEU 27 HD11 LEU 27 17.347 -2.556 4.071
229 HD12 LEU 27 HD12 LEU 27 16.298 -2.875 2.690
230 HD13 LEU 27 HD13 LEU 27 15.994 -1.479 3.724
231 HD21 LEU 27 HD21 LEU 27 18.828 0.446 2.983
232 HD22 LEU 27 HD22 LEU 27 19.705 -1.084 3.022
233 HD23 LEU 27 HD23 LEU 27 18.531 -0.707 4.283
234 H ASN 28 H ASN 28 17.670 -2.755 -1.654
235 HA ASN 28 HA ASN 28 19.329 -4.808 -2.212
236 HB2 ASN 28 HB2 ASN 28 17.266 -4.746 -3.363
237 HB3 ASN 28 HB3 ASN 28 17.620 -3.177 -4.082
238 HD21 ASN 28 HD21 ASN 28 17.508 -6.431 -4.626
239 HD22 ASN 28 HD22 ASN 28 18.500 -6.514 -6.038
240 H GLY 29 H GLY 29 19.682 -1.501 -3.400
241 HA2 GLY 29 HA2 GLY 29 22.424 -2.197 -4.231
242 HA3 GLY 29 HA3 GLY 29 21.385 -1.254 -5.290
Start of MODEL 20
1 H1 HIS 1 H HIS 1 -18.547 9.220 0.154
2 HA HIS 1 HA HIS 1 -18.116 9.605 2.878
3 HB2 HIS 1 HB2 HIS 1 -20.770 8.718 1.770
4 HB3 HIS 1 HB3 HIS 1 -20.452 9.831 3.097
5 HD1 HIS 1 HD1 HIS 1 -22.282 10.592 0.714
6 HD2 HIS 1 HD2 HIS 1 -18.245 11.532 0.989
7 HE1 HIS 1 HE1 HIS 1 -21.953 12.586 -0.783
8 HE2 HIS 1 HE2 HIS 1 -19.487 13.084 -0.667
9 H SER 2 H SER 2 -19.400 6.761 1.179
10 HA SER 2 HA SER 2 -19.085 5.217 3.665
11 HB2 SER 2 HB2 SER 2 -21.344 5.387 2.320
12 HB3 SER 2 HB3 SER 2 -20.589 4.165 1.298
13 HG SER 2 HG SER 2 -20.837 3.946 4.115
14 H ASP 3 H ASP 3 -18.789 4.779 0.136
15 HA ASP 3 HA ASP 3 -17.241 2.454 0.228
16 HB2 ASP 3 HB2 ASP 3 -18.254 3.030 -1.842
17 HB3 ASP 3 HB3 ASP 3 -17.499 4.621 -1.853
18 H ALA 4 H ALA 4 -16.425 5.630 1.070
19 HA ALA 4 HA ALA 4 -13.788 5.938 0.344
20 HB1 ALA 4 HB1 ALA 4 -13.860 6.905 2.939
21 HB2 ALA 4 HB2 ALA 4 -14.251 7.802 1.470
22 HB3 ALA 4 HB3 ALA 4 -15.533 7.015 2.390
23 H VAL 5 H VAL 5 -15.113 4.056 3.027
24 HA VAL 5 HA VAL 5 -12.666 3.389 4.250
25 HB VAL 5 HB VAL 5 -14.836 3.081 5.363
26 HG11 VAL 5 HG11 VAL 5 -15.817 2.095 3.137
27 HG12 VAL 5 HG12 VAL 5 -15.310 0.561 3.846
28 HG13 VAL 5 HG13 VAL 5 -16.454 1.594 4.704
29 HG21 VAL 5 HG21 VAL 5 -13.304 0.498 5.079
30 HG22 VAL 5 HG22 VAL 5 -12.852 1.841 6.129
31 HG23 VAL 5 HG23 VAL 5 -14.347 0.954 6.426
32 H PHE 6 H PHE 6 -14.520 1.847 1.672
33 HA PHE 6 HA PHE 6 -13.057 -0.533 1.484
34 HB2 PHE 6 HB2 PHE 6 -14.793 1.018 -0.391
35 HB3 PHE 6 HB3 PHE 6 -13.838 -0.316 -1.030
36 HD1 PHE 6 HD1 PHE 6 -16.106 0.408 1.844
37 HD2 PHE 6 HD2 PHE 6 -14.827 -2.382 -1.105
38 HE1 PHE 6 HE1 PHE 6 -17.827 -1.179 2.603
39 HE2 PHE 6 HE2 PHE 6 -16.546 -3.972 -0.352
40 HZ PHE 6 HZ PHE 6 -18.050 -3.371 1.504
41 H THR 7 H THR 7 -12.722 2.457 -0.429
42 HA THR 7 HA THR 7 -10.386 1.608 -1.788
43 HB THR 7 HB THR 7 -11.869 3.403 -2.635
44 HG1 THR 7 HG1 THR 7 -9.180 4.247 -2.188
45 HG21 THR 7 HG21 THR 7 -12.274 4.519 -0.467
46 HG22 THR 7 HG22 THR 7 -11.733 5.644 -1.713
47 HG23 THR 7 HG23 THR 7 -10.607 5.092 -0.473
48 H ASP 8 H ASP 8 -10.930 3.477 1.151
49 HA ASP 8 HA ASP 8 -8.356 4.428 1.592
50 HB2 ASP 8 HB2 ASP 8 -10.694 3.809 3.324
51 HB3 ASP 8 HB3 ASP 8 -9.139 4.034 4.120
52 H ASN 9 H ASN 9 -9.805 1.348 2.614
53 HA ASN 9 HA ASN 9 -7.585 0.351 3.999
54 HB2 ASN 9 HB2 ASN 9 -9.912 -0.973 2.623
55 HB3 ASN 9 HB3 ASN 9 -8.646 -1.927 3.391
56 HD21 ASN 9 HD21 ASN 9 -11.617 -1.050 3.893
57 HD22 ASN 9 HD22 ASN 9 -11.625 -0.765 5.597
58 H TYR 10 H TYR 10 -8.423 0.275 0.585
59 HA TYR 10 HA TYR 10 -6.344 -1.532 -0.166
60 HB2 TYR 10 HB2 TYR 10 -7.809 0.452 -1.914
61 HB3 TYR 10 HB3 TYR 10 -6.931 -0.976 -2.448
62 HD1 TYR 10 HD1 TYR 10 -7.945 -2.870 -0.295
63 HD2 TYR 10 HD2 TYR 10 -9.949 -0.067 -2.790
64 HE1 TYR 10 HE1 TYR 10 -10.005 -4.203 -0.126
65 HE2 TYR 10 HE2 TYR 10 -12.015 -1.391 -2.628
66 HH TYR 10 HH TYR 10 -12.897 -3.194 -0.667
67 H THR 11 H THR 11 -6.709 1.990 -0.213
68 HA THR 11 HA THR 11 -4.248 2.564 -1.467
69 HB THR 11 HB THR 11 -5.778 4.311 0.471
70 HG1 THR 11 HG1 THR 11 -7.185 3.994 -1.152
71 HG21 THR 11 HG21 THR 11 -4.693 6.136 -0.916
72 HG22 THR 11 HG22 THR 11 -3.636 4.884 -1.568
73 HG23 THR 11 HG23 THR 11 -3.620 5.241 0.159
74 H ARG 12 H ARG 12 -5.170 2.293 1.943
75 HA ARG 12 HA ARG 12 -2.593 3.011 2.938
76 HB2 ARG 12 HB2 ARG 12 -3.450 2.285 5.109
77 HB3 ARG 12 HB3 ARG 12 -4.622 3.301 4.282
78 HG2 ARG 12 HG2 ARG 12 -6.010 1.662 5.004
79 HG3 ARG 12 HG3 ARG 12 -5.528 0.952 3.462
80 HD2 ARG 12 HD2 ARG 12 -5.216 -0.816 4.907
81 HD3 ARG 12 HD3 ARG 12 -3.605 -0.103 4.864
82 HE ARG 12 HE ARG 12 -3.816 0.362 7.085
83 HH11 ARG 12 HH12 ARG 12 -6.993 -0.111 5.743
84 HH12 ARG 12 HH11 ARG 12 -7.798 -0.002 7.274
85 HH21 ARG 12 HH22 ARG 12 -4.864 0.507 9.106
86 HH22 ARG 12 HH21 ARG 12 -6.586 0.351 9.186
87 H LEU 13 H LEU 13 -4.289 -0.065 2.448
88 HA LEU 13 HA LEU 13 -2.334 -1.748 3.537
89 HB2 LEU 13 HB2 LEU 13 -4.479 -2.644 3.124
90 HB3 LEU 13 HB3 LEU 13 -4.431 -2.171 1.427
91 HG LEU 13 HG LEU 13 -2.411 -3.870 1.367
92 HD11 LEU 13 HD11 LEU 13 -2.096 -4.818 3.371
93 HD12 LEU 13 HD12 LEU 13 -3.498 -5.800 2.946
94 HD13 LEU 13 HD13 LEU 13 -3.699 -4.364 3.950
95 HD21 LEU 13 HD21 LEU 13 -4.355 -5.690 1.129
96 HD22 LEU 13 HD22 LEU 13 -4.051 -4.446 -0.084
97 HD23 LEU 13 HD23 LEU 13 -5.336 -4.224 1.105
98 H ARG 14 H ARG 14 -2.758 -0.507 0.250
99 HA ARG 14 HA ARG 14 -0.747 -1.984 -1.007
100 HB2 ARG 14 HB2 ARG 14 -2.537 -0.413 -2.017
101 HB3 ARG 14 HB3 ARG 14 -1.361 0.865 -1.742
102 HG2 ARG 14 HG2 ARG 14 0.266 -0.585 -3.069
103 HG3 ARG 14 HG3 ARG 14 -1.157 -1.503 -3.567
104 HD2 ARG 14 HD2 ARG 14 -2.091 0.879 -4.153
105 HD3 ARG 14 HD3 ARG 14 -0.381 1.304 -4.206
106 HE ARG 14 HE ARG 14 -0.210 0.174 -6.182
107 HH11 ARG 14 HH12 ARG 14 -3.107 -0.853 -4.548
108 HH12 ARG 14 HH11 ARG 14 -3.672 -1.812 -5.876
109 HH21 ARG 14 HH22 ARG 14 -0.943 -1.086 -7.937
110 HH22 ARG 14 HH21 ARG 14 -2.440 -1.944 -7.803
111 H LYS 15 H LYS 15 -0.599 0.972 0.887
112 HA LYS 15 HA LYS 15 2.037 1.723 0.259
113 HB2 LYS 15 HB2 LYS 15 0.356 3.160 1.421
114 HB3 LYS 15 HB3 LYS 15 0.577 2.182 2.866
115 HG2 LYS 15 HG2 LYS 15 1.907 4.076 3.198
116 HG3 LYS 15 HG3 LYS 15 3.036 2.804 2.727
117 HD2 LYS 15 HD2 LYS 15 2.687 3.714 0.329
118 HD3 LYS 15 HD3 LYS 15 2.061 5.152 1.140
119 HE2 LYS 15 HE2 LYS 15 4.301 4.877 2.532
120 HE3 LYS 15 HE3 LYS 15 4.821 4.053 1.063
121 HZ1 LYS 15 HZ1 LYS 15 3.609 6.325 0.165
122 HZ2 LYS 15 HZ2 LYS 15 5.277 6.070 0.287
123 HZ3 LYS 15 HZ3 LYS 15 4.447 6.846 1.540
124 H GLN 16 H GLN 16 0.726 -0.517 2.631
125 HA GLN 16 HA GLN 16 3.156 -0.932 4.043
126 HB2 GLN 16 HB2 GLN 16 0.504 -2.287 3.916
127 HB3 GLN 16 HB3 GLN 16 1.852 -3.172 4.616
128 HG2 GLN 16 HG2 GLN 16 1.250 -0.400 5.540
129 HG3 GLN 16 HG3 GLN 16 0.298 -1.759 6.134
130 HE21 GLN 16 HE21 GLN 16 3.475 -0.321 6.008
131 HE22 GLN 16 HE22 GLN 16 4.143 -1.206 7.333
132 H MET 17 H MET 17 1.509 -2.741 1.466
133 HA MET 17 HA MET 17 3.494 -4.764 1.277
134 HB2 MET 17 HB2 MET 17 2.383 -5.176 -0.988
135 HB3 MET 17 HB3 MET 17 1.374 -5.347 0.442
136 HG2 MET 17 HG2 MET 17 0.358 -3.219 0.063
137 HG3 MET 17 HG3 MET 17 1.484 -2.862 -1.244
138 HE1 MET 17 HE1 MET 17 0.754 -3.779 -4.017
139 HE2 MET 17 HE2 MET 17 1.899 -4.664 -3.008
140 HE3 MET 17 HE3 MET 17 0.614 -5.530 -3.852
141 H ALA 18 H ALA 18 2.930 -1.724 -0.429
142 HA ALA 18 HA ALA 18 5.037 -2.102 -2.320
143 HB1 ALA 18 HB1 ALA 18 4.120 0.637 -1.654
144 HB2 ALA 18 HB2 ALA 18 4.383 -0.122 -3.224
145 HB3 ALA 18 HB3 ALA 18 2.925 -0.486 -2.303
146 H VAL 19 H VAL 19 4.845 -0.893 0.920
147 HA VAL 19 HA VAL 19 7.133 0.726 0.993
148 HB VAL 19 HB VAL 19 5.529 -0.725 3.033
149 HG11 VAL 19 HG11 VAL 19 8.325 0.285 3.488
150 HG12 VAL 19 HG12 VAL 19 7.151 0.101 4.793
151 HG13 VAL 19 HG13 VAL 19 7.663 -1.307 3.861
152 HG21 VAL 19 HG21 VAL 19 4.848 1.341 3.605
153 HG22 VAL 19 HG22 VAL 19 6.468 2.025 3.472
154 HG23 VAL 19 HG23 VAL 19 5.488 1.793 2.024
155 H LYS 20 H LYS 20 6.722 -2.755 1.379
156 HA LYS 20 HA LYS 20 9.357 -3.325 2.225
157 HB2 LYS 20 HB2 LYS 20 7.072 -4.890 1.145
158 HB3 LYS 20 HB3 LYS 20 8.664 -5.633 1.059
159 HG2 LYS 20 HG2 LYS 20 7.913 -6.406 3.079
160 HG3 LYS 20 HG3 LYS 20 8.800 -4.963 3.576
161 HD2 LYS 20 HD2 LYS 20 6.612 -5.136 4.687
162 HD3 LYS 20 HD3 LYS 20 6.732 -3.694 3.676
163 HE2 LYS 20 HE2 LYS 20 5.324 -4.578 2.042
164 HE3 LYS 20 HE3 LYS 20 5.554 -6.233 2.604
165 HZ1 LYS 20 HZ1 LYS 20 4.110 -4.120 4.110
166 HZ2 LYS 20 HZ2 LYS 20 4.264 -5.744 4.558
167 HZ3 LYS 20 HZ3 LYS 20 3.366 -5.326 3.186
168 H LYS 21 H LYS 21 7.846 -3.178 -0.966
169 HA LYS 21 HA LYS 21 10.053 -4.140 -2.436
170 HB2 LYS 21 HB2 LYS 21 7.586 -3.780 -3.164
171 HB3 LYS 21 HB3 LYS 21 8.099 -2.139 -3.535
172 HG2 LYS 21 HG2 LYS 21 8.254 -3.327 -5.552
173 HG3 LYS 21 HG3 LYS 21 9.912 -3.175 -4.966
174 HD2 LYS 21 HD2 LYS 21 9.814 -5.401 -5.599
175 HD3 LYS 21 HD3 LYS 21 9.463 -5.488 -3.871
176 HE2 LYS 21 HE2 LYS 21 7.200 -5.189 -5.786
177 HE3 LYS 21 HE3 LYS 21 7.979 -6.763 -5.635
178 HZ1 LYS 21 HZ1 LYS 21 6.888 -7.122 -3.759
179 HZ2 LYS 21 HZ2 LYS 21 6.049 -5.669 -3.974
180 HZ3 LYS 21 HZ3 LYS 21 7.480 -5.693 -3.072
181 H TYR 22 H TYR 22 9.108 -0.905 -1.399
182 HA TYR 22 HA TYR 22 11.110 0.475 -2.867
183 HB2 TYR 22 HB2 TYR 22 9.292 1.180 -0.593
184 HB3 TYR 22 HB3 TYR 22 10.605 2.270 -1.024
185 HD1 TYR 22 HD1 TYR 22 8.345 0.213 -3.167
186 HD2 TYR 22 HD2 TYR 22 9.641 4.110 -2.054
187 HE1 TYR 22 HE1 TYR 22 6.951 1.179 -4.948
188 HE2 TYR 22 HE2 TYR 22 8.249 5.087 -3.831
189 HH TYR 22 HH TYR 22 7.262 4.352 -6.009
190 H LEU 23 H LEU 23 10.867 -0.391 0.582
191 HA LEU 23 HA LEU 23 13.384 0.544 1.351
192 HB2 LEU 23 HB2 LEU 23 12.991 -0.450 3.368
193 HB3 LEU 23 HB3 LEU 23 11.351 -0.363 2.727
194 HG LEU 23 HG LEU 23 11.821 -2.787 1.911
195 HD11 LEU 23 HD11 LEU 23 13.644 -3.850 2.620
196 HD12 LEU 23 HD12 LEU 23 13.474 -3.223 4.259
197 HD13 LEU 23 HD13 LEU 23 14.285 -2.258 3.026
198 HD21 LEU 23 HD21 LEU 23 11.551 -2.462 4.878
199 HD22 LEU 23 HD22 LEU 23 10.751 -3.613 3.807
200 HD23 LEU 23 HD23 LEU 23 10.285 -1.912 3.780
201 H ASN 24 H ASN 24 12.401 -2.488 -0.112
202 HA ASN 24 HA ASN 24 14.818 -3.895 0.322
203 HB2 ASN 24 HB2 ASN 24 12.987 -5.250 -0.226
204 HB3 ASN 24 HB3 ASN 24 12.517 -4.230 -1.582
205 HD21 ASN 24 HD21 ASN 24 13.133 -4.815 -3.546
206 HD22 ASN 24 HD22 ASN 24 14.312 -6.025 -3.910
207 H SER 25 H SER 25 13.616 -1.973 -2.406
208 HA SER 25 HA SER 25 15.900 -2.393 -4.044
209 HB2 SER 25 HB2 SER 25 13.843 -0.173 -4.146
210 HB3 SER 25 HB3 SER 25 14.988 -0.573 -5.426
211 HG SER 25 HG SER 25 13.110 -2.427 -4.395
212 H ILE 26 H ILE 26 14.868 0.320 -1.991
213 HA ILE 26 HA ILE 26 16.948 2.073 -2.466
214 HB ILE 26 HB ILE 26 15.517 1.583 0.148
215 HG12 ILE 26 HG12 ILE 26 14.980 3.874 -1.702
216 HG13 ILE 26 HG13 ILE 26 14.294 2.297 -2.075
217 HG21 ILE 26 HG21 ILE 26 17.808 3.066 -0.239
218 HG22 ILE 26 HG22 ILE 26 16.521 4.267 -0.339
219 HG23 ILE 26 HG23 ILE 26 16.665 3.247 1.092
220 HD11 ILE 26 HD11 ILE 26 12.956 2.297 -0.181
221 HD12 ILE 26 HD12 ILE 26 13.923 3.536 0.620
222 HD13 ILE 26 HD13 ILE 26 12.886 3.968 -0.739
223 H LEU 27 H LEU 27 16.798 -0.540 -0.062
224 HA LEU 27 HA LEU 27 19.363 -0.078 1.029
225 HB2 LEU 27 HB2 LEU 27 17.424 -2.343 1.064
226 HB3 LEU 27 HB3 LEU 27 19.065 -2.610 1.650
227 HG LEU 27 HG LEU 27 17.481 -0.331 2.750
228 HD11 LEU 27 HD11 LEU 27 16.270 -2.714 2.720
229 HD12 LEU 27 HD12 LEU 27 16.134 -1.582 4.065
230 HD13 LEU 27 HD13 LEU 27 17.276 -2.923 4.154
231 HD21 LEU 27 HD21 LEU 27 18.810 -0.792 4.726
232 HD22 LEU 27 HD22 LEU 27 19.857 -0.614 3.318
233 HD23 LEU 27 HD23 LEU 27 19.501 -2.220 3.956
234 H ASN 28 H ASN 28 18.203 -2.173 -1.570
235 HA ASN 28 HA ASN 28 20.420 -3.712 -2.067
236 HB2 ASN 28 HB2 ASN 28 18.409 -2.493 -3.952
237 HB3 ASN 28 HB3 ASN 28 19.681 -3.570 -4.521
238 HD21 ASN 28 HD21 ASN 28 17.678 -4.743 -5.198
239 HD22 ASN 28 HD22 ASN 28 17.014 -5.879 -4.078
240 H GLY 29 H GLY 29 19.857 -0.351 -2.975
241 HA2 GLY 29 HA2 GLY 29 22.246 0.745 -2.872
242 HA3 GLY 29 HA3 GLY 29 22.456 -0.235 -4.316