Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505162 | 2eou RC | 10158 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -10.030 -16.250 2.057
2 HA2 GLY 1 1HA GLY 1 -8.714 -16.193 0.178
3 HA3 GLY 1 2HA GLY 1 -9.968 -17.172 -0.569
4 H SER 2 H SER 2 -8.393 -14.193 -0.576
5 HA SER 2 HA SER 2 -8.796 -12.171 -1.582
6 HB2 SER 2 1HB SER 2 -9.443 -12.398 -3.963
7 HB3 SER 2 2HB SER 2 -8.213 -13.572 -3.496
8 HG SER 2 HG SER 2 -10.952 -14.228 -3.396
9 H SER 3 H SER 3 -10.794 -12.750 0.270
10 HA SER 3 HA SER 3 -13.344 -12.157 -0.998
11 HB2 SER 3 1HB SER 3 -13.299 -13.798 0.825
12 HB3 SER 3 2HB SER 3 -12.644 -12.579 1.919
13 HG SER 3 HG SER 3 -15.153 -13.087 1.510
14 H GLY 4 H GLY 4 -14.442 -10.250 -0.844
15 HA2 GLY 4 1HA GLY 4 -14.629 -7.956 -0.745
16 HA3 GLY 4 2HA GLY 4 -14.139 -8.184 0.927
17 H SER 5 H SER 5 -12.593 -8.225 -2.289
18 HA SER 5 HA SER 5 -10.173 -7.093 -1.173
19 HB2 SER 5 1HB SER 5 -10.403 -8.853 -3.101
20 HB3 SER 5 2HB SER 5 -10.640 -7.431 -4.118
21 HG SER 5 HG SER 5 -8.493 -7.386 -2.346
22 H SER 6 H SER 6 -12.181 -5.331 -0.731
23 HA SER 6 HA SER 6 -11.504 -3.137 -2.569
24 HB2 SER 6 1HB SER 6 -13.792 -2.310 -2.484
25 HB3 SER 6 2HB SER 6 -13.789 -3.973 -3.070
26 HG SER 6 HG SER 6 -15.339 -3.273 -1.305
27 H GLY 7 H GLY 7 -12.819 -4.017 0.611
28 HA2 GLY 7 1HA GLY 7 -11.766 -3.131 2.603
29 HA3 GLY 7 2HA GLY 7 -11.446 -1.650 1.712
30 H ALA 8 H ALA 8 -12.746 0.003 2.122
31 HA ALA 8 HA ALA 8 -15.441 -0.570 3.171
32 HB1 ALA 8 3HB ALA 8 -15.003 1.838 4.225
33 HB2 ALA 8 1HB ALA 8 -14.542 0.344 5.042
34 HB3 ALA 8 2HB ALA 8 -13.335 1.268 4.147
35 H ALA 9 H ALA 9 -15.043 -0.324 0.456
36 HA ALA 9 HA ALA 9 -15.739 0.797 -1.401
37 HB1 ALA 9 3HB ALA 9 -17.889 0.657 -0.322
38 HB2 ALA 9 1HB ALA 9 -17.544 2.099 0.633
39 HB3 ALA 9 2HB ALA 9 -17.740 2.225 -1.115
40 H LYS 10 H LYS 10 -13.392 1.801 -0.301
41 HA LYS 10 HA LYS 10 -13.317 4.394 -1.484
42 HB2 LYS 10 1HB LYS 10 -14.240 4.656 0.960
43 HB3 LYS 10 2HB LYS 10 -12.554 4.440 1.412
44 HG2 LYS 10 1HG LYS 10 -11.945 6.346 -0.013
45 HG3 LYS 10 2HG LYS 10 -13.651 6.577 -0.405
46 HD2 LYS 10 1HD LYS 10 -12.610 6.596 2.419
47 HD3 LYS 10 2HD LYS 10 -12.708 8.053 1.428
48 HE2 LYS 10 1HE LYS 10 -15.080 6.264 1.878
49 HE3 LYS 10 2HE LYS 10 -14.662 7.560 2.998
50 HZ1 LYS 10 3HZ LYS 10 -14.686 8.458 0.290
51 HZ2 LYS 10 1HZ LYS 10 -15.515 9.069 1.632
52 HZ3 LYS 10 2HZ LYS 10 -16.178 7.798 0.735
53 H THR 11 H THR 11 -11.253 4.994 -2.030
54 HA THR 11 HA THR 11 -9.283 3.062 -2.250
55 HB THR 11 HB THR 11 -7.720 4.885 -2.798
56 HG1 THR 11 HG1 THR 11 -8.763 6.332 -1.143
57 HG21 THR 11 3HG2 THR 11 -8.701 5.358 -4.802
58 HG22 THR 11 1HG2 THR 11 -10.246 5.788 -4.069
59 HG23 THR 11 2HG2 THR 11 -9.804 4.092 -4.262
60 H THR 12 H THR 12 -8.018 2.130 -0.796
61 HA THR 12 HA THR 12 -7.110 3.701 1.519
62 HB THR 12 HB THR 12 -7.654 0.790 1.895
63 HG1 THR 12 HG1 THR 12 -9.558 2.185 0.995
64 HG21 THR 12 3HG2 THR 12 -8.468 2.149 4.125
65 HG22 THR 12 1HG2 THR 12 -7.165 3.175 3.527
66 HG23 THR 12 2HG2 THR 12 -6.856 1.475 3.883
67 H SER 13 H SER 13 -5.224 2.659 2.629
68 HA SER 13 HA SER 13 -3.293 1.865 0.620
69 HB2 SER 13 1HB SER 13 -2.781 2.186 3.578
70 HB3 SER 13 2HB SER 13 -1.622 2.310 2.255
71 HG SER 13 HG SER 13 -2.580 4.324 3.281
72 H GLU 14 H GLU 14 -4.803 -0.176 0.493
73 HA GLU 14 HA GLU 14 -4.245 -2.181 2.499
74 HB2 GLU 14 1HB GLU 14 -6.410 -2.334 1.584
75 HB3 GLU 14 2HB GLU 14 -5.819 -2.161 -0.063
76 HG2 GLU 14 1HG GLU 14 -4.722 -4.378 0.163
77 HG3 GLU 14 2HG GLU 14 -5.497 -4.549 1.737
78 H CYS 15 H CYS 15 -2.838 -3.854 2.356
79 HA CYS 15 HA CYS 15 -0.680 -3.638 0.500
80 HB2 CYS 15 1HB CYS 15 -0.591 -4.479 2.924
81 HB3 CYS 15 2HB CYS 15 -1.203 -6.003 2.292
82 H GLN 16 H GLN 16 -0.982 -4.170 -1.569
83 HA GLN 16 HA GLN 16 -2.875 -6.080 -2.466
84 HB2 GLN 16 1HB GLN 16 -1.698 -5.811 -4.673
85 HB3 GLN 16 2HB GLN 16 -2.276 -4.314 -3.952
86 HG2 GLN 16 1HG GLN 16 -0.108 -3.657 -3.322
87 HG3 GLN 16 2HG GLN 16 0.549 -5.266 -3.616
88 HE21 GLN 16 1HE2 GLN 16 2.132 -4.185 -4.922
89 HE22 GLN 16 2HE2 GLN 16 1.753 -3.744 -6.549
90 H GLU 17 H GLU 17 0.248 -6.390 -1.180
91 HA GLU 17 HA GLU 17 1.072 -8.734 -2.581
92 HB2 GLU 17 1HB GLU 17 1.995 -7.251 -0.164
93 HB3 GLU 17 2HB GLU 17 2.538 -8.910 -0.373
94 HG2 GLU 17 1HG GLU 17 2.897 -6.701 -2.385
95 HG3 GLU 17 2HG GLU 17 4.130 -7.272 -1.262
96 H CYS 18 H CYS 18 -0.491 -8.147 0.546
97 HA CYS 18 HA CYS 18 -1.141 -11.020 0.665
98 HB2 CYS 18 1HB CYS 18 -1.226 -10.764 3.132
99 HB3 CYS 18 2HB CYS 18 0.373 -10.440 2.469
100 H GLY 19 H GLY 19 -2.265 -7.750 1.461
101 HA2 GLY 19 1HA GLY 19 -4.530 -7.166 0.718
102 HA3 GLY 19 2HA GLY 19 -5.030 -8.768 1.239
103 H LYS 20 H LYS 20 -3.011 -6.351 2.880
104 HA LYS 20 HA LYS 20 -4.902 -6.451 5.134
105 HB2 LYS 20 1HB LYS 20 -2.336 -7.099 5.278
106 HB3 LYS 20 2HB LYS 20 -2.140 -5.358 5.432
107 HG2 LYS 20 1HG LYS 20 -3.197 -5.279 7.468
108 HG3 LYS 20 2HG LYS 20 -4.119 -6.754 7.168
109 HD2 LYS 20 1HD LYS 20 -2.361 -8.129 7.743
110 HD3 LYS 20 2HD LYS 20 -1.144 -6.908 7.362
111 HE2 LYS 20 1HE LYS 20 -1.523 -5.749 9.363
112 HE3 LYS 20 2HE LYS 20 -3.066 -6.554 9.640
113 HZ1 LYS 20 3HZ LYS 20 -1.555 -8.661 9.722
114 HZ2 LYS 20 1HZ LYS 20 -1.717 -7.671 11.085
115 HZ3 LYS 20 2HZ LYS 20 -0.344 -7.544 10.106
116 H ILE 21 H ILE 21 -6.161 -4.734 5.350
117 HA ILE 21 HA ILE 21 -5.614 -2.274 3.975
118 HB ILE 21 HB ILE 21 -7.787 -2.886 5.982
119 HG12 ILE 21 1HG1 ILE 21 -9.139 -2.951 3.746
120 HG13 ILE 21 2HG1 ILE 21 -7.571 -3.271 3.013
121 HG21 ILE 21 1HG2 ILE 21 -7.057 -0.439 5.274
122 HG22 ILE 21 2HG2 ILE 21 -8.065 -0.813 3.877
123 HG23 ILE 21 3HG2 ILE 21 -8.749 -0.878 5.501
124 HD11 ILE 21 3HD1 ILE 21 -8.190 -4.941 5.335
125 HD12 ILE 21 1HD1 ILE 21 -9.261 -5.165 3.952
126 HD13 ILE 21 2HD1 ILE 21 -7.520 -5.375 3.762
127 H PHE 22 H PHE 22 -4.765 -0.436 4.751
128 HA PHE 22 HA PHE 22 -4.276 -0.251 7.649
129 HB2 PHE 22 1HB PHE 22 -2.388 0.521 5.415
130 HB3 PHE 22 2HB PHE 22 -2.122 0.880 7.118
131 HD1 PHE 22 HD1 PHE 22 -1.681 -0.940 8.713
132 HD2 PHE 22 HD2 PHE 22 -1.994 -1.649 4.528
133 HE1 PHE 22 HE1 PHE 22 -0.591 -3.126 9.006
134 HE2 PHE 22 HE2 PHE 22 -0.905 -3.837 4.814
135 HZ PHE 22 HZ PHE 22 -0.203 -4.578 7.055
136 H ARG 23 H ARG 23 -4.856 1.611 8.591
137 HA ARG 23 HA ARG 23 -6.566 3.423 7.503
138 HB2 ARG 23 1HB ARG 23 -5.831 3.173 9.939
139 HB3 ARG 23 2HB ARG 23 -4.504 4.254 9.536
140 HG2 ARG 23 1HG ARG 23 -6.106 5.667 10.435
141 HG3 ARG 23 2HG ARG 23 -6.329 5.851 8.694
142 HD2 ARG 23 1HD ARG 23 -8.320 4.708 8.691
143 HD3 ARG 23 2HD ARG 23 -7.907 3.773 10.128
144 HE ARG 23 HE ARG 23 -9.218 6.324 10.040
145 HH11 ARG 23 1HH1 ARG 23 -7.238 4.201 11.962
146 HH12 ARG 23 2HH1 ARG 23 -7.737 4.889 13.472
147 HH21 ARG 23 1HH2 ARG 23 -9.882 7.239 12.022
148 HH22 ARG 23 2HH2 ARG 23 -9.241 6.616 13.505
149 H HIS 24 H HIS 24 -3.180 4.330 8.153
150 HA HIS 24 HA HIS 24 -3.297 6.076 5.785
151 HB2 HIS 24 1HB HIS 24 -1.236 7.138 7.011
152 HB3 HIS 24 2HB HIS 24 -2.871 7.526 7.539
153 HD2 HIS 24 HD2 HIS 24 -3.672 6.049 9.922
154 HE1 HIS 24 HE1 HIS 24 0.347 5.409 11.119
155 HE2 HIS 24 HE2 HIS 24 -2.074 5.257 11.795
156 H SER 25 H SER 25 -1.580 6.111 4.330
157 HA SER 25 HA SER 25 -0.448 3.812 3.499
158 HB2 SER 25 1HB SER 25 0.900 6.522 3.395
159 HB3 SER 25 2HB SER 25 1.286 5.142 2.366
160 HG SER 25 HG SER 25 -0.120 6.490 1.265
161 H SER 26 H SER 26 1.165 6.112 5.691
162 HA SER 26 HA SER 26 3.557 5.038 6.161
163 HB2 SER 26 1HB SER 26 1.604 5.915 8.301
164 HB3 SER 26 2HB SER 26 3.332 5.682 8.565
165 HG SER 26 HG SER 26 2.579 7.324 6.447
166 H LEU 27 H LEU 27 0.724 3.927 8.028
167 HA LEU 27 HA LEU 27 1.803 1.819 9.361
168 HB2 LEU 27 1HB LEU 27 -0.892 2.280 8.175
169 HB3 LEU 27 2HB LEU 27 -0.528 0.705 8.878
170 HG LEU 27 HG LEU 27 -0.230 3.283 10.404
171 HD11 LEU 27 1HD1 LEU 27 -2.561 1.460 10.767
172 HD12 LEU 27 2HD1 LEU 27 -2.598 2.667 9.482
173 HD13 LEU 27 3HD1 LEU 27 -2.395 3.172 11.159
174 HD21 LEU 27 3HD2 LEU 27 0.940 1.127 11.111
175 HD22 LEU 27 1HD2 LEU 27 -0.674 0.509 11.464
176 HD23 LEU 27 2HD2 LEU 27 -0.070 1.933 12.313
177 H LEU 28 H LEU 28 0.535 1.733 6.042
178 HA LEU 28 HA LEU 28 1.118 -1.001 5.597
179 HB2 LEU 28 1HB LEU 28 -0.473 -0.058 4.172
180 HB3 LEU 28 2HB LEU 28 0.546 1.333 3.808
181 HG LEU 28 HG LEU 28 2.047 -0.206 2.526
182 HD11 LEU 28 1HD1 LEU 28 1.625 -2.336 3.371
183 HD12 LEU 28 2HD1 LEU 28 0.853 -2.351 1.787
184 HD13 LEU 28 3HD1 LEU 28 -0.123 -2.146 3.241
185 HD21 LEU 28 3HD2 LEU 28 -0.030 1.169 1.670
186 HD22 LEU 28 1HD2 LEU 28 -0.673 -0.440 1.343
187 HD23 LEU 28 2HD2 LEU 28 0.844 0.071 0.601
188 H ILE 29 H ILE 29 2.953 1.958 5.169
189 HA ILE 29 HA ILE 29 5.029 0.997 3.570
190 HB ILE 29 HB ILE 29 5.135 3.105 5.730
191 HG12 ILE 29 1HG1 ILE 29 4.721 3.279 2.738
192 HG13 ILE 29 2HG1 ILE 29 3.529 3.636 3.983
193 HG21 ILE 29 1HG2 ILE 29 7.122 3.921 4.416
194 HG22 ILE 29 2HG2 ILE 29 7.369 2.425 5.317
195 HG23 ILE 29 3HG2 ILE 29 7.102 2.371 3.574
196 HD11 ILE 29 3HD1 ILE 29 6.014 5.180 3.312
197 HD12 ILE 29 1HD1 ILE 29 4.335 5.703 3.181
198 HD13 ILE 29 2HD1 ILE 29 5.062 5.462 4.770
199 H GLU 30 H GLU 30 4.673 0.994 7.098
200 HA GLU 30 HA GLU 30 7.219 -0.212 7.573
201 HB2 GLU 30 1HB GLU 30 4.788 0.266 9.282
202 HB3 GLU 30 2HB GLU 30 6.171 -0.637 9.885
203 HG2 GLU 30 1HG GLU 30 6.204 2.203 8.891
204 HG3 GLU 30 2HG GLU 30 6.279 1.683 10.574
205 H HIS 31 H HIS 31 3.952 -1.390 7.110
206 HA HIS 31 HA HIS 31 4.394 -4.042 7.998
207 HB2 HIS 31 1HB HIS 31 2.140 -3.466 7.877
208 HB3 HIS 31 2HB HIS 31 2.314 -2.711 6.295
209 HD1 HIS 31 HD1 HIS 31 1.875 -6.047 7.940
210 HD2 HIS 31 HD2 HIS 31 2.055 -4.431 4.117
211 HE1 HIS 31 HE1 HIS 31 1.112 -7.882 6.398
212 H GLN 32 H GLN 32 4.417 -2.575 4.759
213 HA GLN 32 HA GLN 32 4.892 -4.820 3.233
214 HB2 GLN 32 1HB GLN 32 5.785 -1.966 2.908
215 HB3 GLN 32 2HB GLN 32 6.181 -3.193 1.712
216 HG2 GLN 32 1HG GLN 32 3.665 -3.669 1.653
217 HG3 GLN 32 2HG GLN 32 3.495 -2.122 2.482
218 HE21 GLN 32 1HE2 GLN 32 2.238 -2.007 0.301
219 HE22 GLN 32 2HE2 GLN 32 3.106 -1.257 -0.991
220 H ALA 33 H ALA 33 7.239 -2.802 4.954
221 HA ALA 33 HA ALA 33 9.624 -3.783 4.089
222 HB1 ALA 33 3HB ALA 33 9.854 -3.654 6.902
223 HB2 ALA 33 1HB ALA 33 10.314 -2.438 5.710
224 HB3 ALA 33 2HB ALA 33 8.695 -2.419 6.411
225 H LEU 34 H LEU 34 7.432 -5.322 6.399
226 HA LEU 34 HA LEU 34 9.040 -7.425 7.232
227 HB2 LEU 34 1HB LEU 34 7.142 -8.381 8.097
228 HB3 LEU 34 2HB LEU 34 6.650 -6.695 7.945
229 HG LEU 34 HG LEU 34 5.640 -7.435 5.683
230 HD11 LEU 34 1HD1 LEU 34 6.473 -9.992 6.870
231 HD12 LEU 34 2HD1 LEU 34 6.182 -9.559 5.186
232 HD13 LEU 34 3HD1 LEU 34 4.825 -9.948 6.243
233 HD21 LEU 34 3HD2 LEU 34 4.040 -8.716 7.762
234 HD22 LEU 34 1HD2 LEU 34 3.670 -7.331 6.735
235 HD23 LEU 34 2HD2 LEU 34 4.622 -7.110 8.204
236 H HIS 35 H HIS 35 7.005 -7.148 4.355
237 HA HIS 35 HA HIS 35 7.259 -9.783 3.437
238 HB2 HIS 35 1HB HIS 35 6.766 -7.178 2.002
239 HB3 HIS 35 2HB HIS 35 6.807 -8.721 1.153
240 HD1 HIS 35 HD1 HIS 35 5.163 -10.539 2.813
241 HD2 HIS 35 HD2 HIS 35 4.166 -6.538 2.307
242 HE1 HIS 35 HE1 HIS 35 2.700 -10.394 3.299
243 H ALA 36 H ALA 36 9.166 -6.889 2.628
244 HA ALA 36 HA ALA 36 10.888 -7.693 0.757
245 HB1 ALA 36 3HB ALA 36 12.010 -5.868 1.348
246 HB2 ALA 36 1HB ALA 36 10.935 -5.733 2.740
247 HB3 ALA 36 2HB ALA 36 12.474 -6.582 2.892
248 H GLY 37 H GLY 37 11.511 -9.782 0.539
249 HA2 GLY 37 1HA GLY 37 13.752 -10.820 1.639
250 HA3 GLY 37 2HA GLY 37 12.511 -11.298 2.788
251 H GLU 38 H GLU 38 10.445 -12.156 1.492
252 HA GLU 38 HA GLU 38 11.412 -14.496 0.099
253 HB2 GLU 38 1HB GLU 38 9.079 -15.247 0.180
254 HB3 GLU 38 2HB GLU 38 9.640 -14.728 1.763
255 HG2 GLU 38 1HG GLU 38 8.549 -12.501 1.272
256 HG3 GLU 38 2HG GLU 38 7.788 -13.289 -0.109
257 H SER 39 H SER 39 9.999 -15.236 -1.840
258 HA SER 39 HA SER 39 10.031 -13.036 -3.781
259 HB2 SER 39 1HB SER 39 10.115 -14.833 -5.493
260 HB3 SER 39 2HB SER 39 11.456 -14.929 -4.352
261 HG SER 39 HG SER 39 10.756 -16.951 -4.331
262 H GLY 40 H GLY 40 8.196 -12.249 -4.577
263 HA2 GLY 40 1HA GLY 40 5.670 -13.334 -3.748
264 HA3 GLY 40 2HA GLY 40 5.916 -11.930 -4.776
265 HA PRO 41 HA PRO 41 4.604 -15.876 -7.155
266 HB2 PRO 41 1HB PRO 41 1.929 -15.441 -7.322
267 HB3 PRO 41 2HB PRO 41 2.670 -16.381 -6.022
268 HG2 PRO 41 1HG PRO 41 1.770 -13.525 -6.020
269 HG3 PRO 41 2HG PRO 41 1.555 -14.767 -4.772
270 HD2 PRO 41 1HD PRO 41 3.474 -12.862 -4.617
271 HD3 PRO 41 2HD PRO 41 3.694 -14.495 -3.955
272 H SER 42 H SER 42 5.745 -14.733 -8.802
273 HA SER 42 HA SER 42 4.985 -12.433 -10.109
274 HB2 SER 42 1HB SER 42 7.109 -13.692 -10.496
275 HB3 SER 42 2HB SER 42 6.195 -14.869 -11.439
276 HG SER 42 HG SER 42 6.827 -13.499 -12.963
277 H SER 43 H SER 43 3.037 -11.960 -10.877
278 HA SER 43 HA SER 43 1.399 -14.053 -12.089
279 HB2 SER 43 1HB SER 43 0.629 -12.227 -10.342
280 HB3 SER 43 2HB SER 43 0.453 -11.230 -11.787
281 HG SER 43 HG SER 43 -1.301 -12.875 -10.893
282 H GLY 44 H GLY 44 2.450 -10.730 -12.857
283 HA2 GLY 44 1HA GLY 44 3.529 -10.531 -15.115
284 HA3 GLY 44 2HA GLY 44 2.134 -11.418 -15.714
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -17.011 -18.606 7.944
2 HA2 GLY 1 1HA GLY 1 -14.691 -18.730 7.368
3 HA3 GLY 1 2HA GLY 1 -15.154 -18.851 5.677
4 H SER 2 H SER 2 -13.240 -17.124 6.086
5 HA SER 2 HA SER 2 -13.866 -14.543 6.934
6 HB2 SER 2 1HB SER 2 -11.950 -13.817 5.541
7 HB3 SER 2 2HB SER 2 -11.568 -15.245 6.502
8 HG SER 2 HG SER 2 -11.942 -16.507 4.634
9 H SER 3 H SER 3 -15.106 -12.984 6.131
10 HA SER 3 HA SER 3 -16.584 -13.411 3.712
11 HB2 SER 3 1HB SER 3 -17.587 -11.181 4.247
12 HB3 SER 3 2HB SER 3 -17.692 -12.336 5.575
13 HG SER 3 HG SER 3 -16.962 -10.458 6.457
14 H GLY 4 H GLY 4 -16.770 -11.668 2.040
15 HA2 GLY 4 1HA GLY 4 -14.081 -10.935 1.174
16 HA3 GLY 4 2HA GLY 4 -15.535 -10.907 0.189
17 H SER 5 H SER 5 -15.257 -8.838 -0.586
18 HA SER 5 HA SER 5 -15.046 -6.545 -0.543
19 HB2 SER 5 1HB SER 5 -17.513 -7.258 0.039
20 HB3 SER 5 2HB SER 5 -17.127 -6.557 1.611
21 HG SER 5 HG SER 5 -17.709 -5.317 -0.714
22 H SER 6 H SER 6 -13.079 -7.650 1.068
23 HA SER 6 HA SER 6 -12.993 -6.653 3.694
24 HB2 SER 6 1HB SER 6 -10.523 -6.997 3.500
25 HB3 SER 6 2HB SER 6 -11.468 -8.399 2.999
26 HG SER 6 HG SER 6 -9.749 -6.864 1.558
27 H GLY 7 H GLY 7 -11.398 -5.392 0.757
28 HA2 GLY 7 1HA GLY 7 -11.995 -2.685 1.406
29 HA3 GLY 7 2HA GLY 7 -10.336 -3.076 1.836
30 H ALA 8 H ALA 8 -12.641 -3.012 -0.842
31 HA ALA 8 HA ALA 8 -10.356 -2.702 -2.681
32 HB1 ALA 8 3HB ALA 8 -12.919 -3.658 -3.792
33 HB2 ALA 8 1HB ALA 8 -11.263 -4.114 -4.193
34 HB3 ALA 8 2HB ALA 8 -12.041 -4.787 -2.760
35 H ALA 9 H ALA 9 -13.808 -1.933 -2.254
36 HA ALA 9 HA ALA 9 -14.156 -0.064 -4.227
37 HB1 ALA 9 3HB ALA 9 -15.395 -0.570 -1.607
38 HB2 ALA 9 1HB ALA 9 -15.638 1.049 -2.263
39 HB3 ALA 9 2HB ALA 9 -16.134 -0.364 -3.195
40 H LYS 10 H LYS 10 -13.098 0.625 -0.890
41 HA LYS 10 HA LYS 10 -12.499 3.361 -1.484
42 HB2 LYS 10 1HB LYS 10 -11.746 1.657 0.899
43 HB3 LYS 10 2HB LYS 10 -11.543 3.401 0.798
44 HG2 LYS 10 1HG LYS 10 -13.820 3.804 0.922
45 HG3 LYS 10 2HG LYS 10 -14.239 2.169 0.406
46 HD2 LYS 10 1HD LYS 10 -14.712 2.161 2.689
47 HD3 LYS 10 2HD LYS 10 -13.113 1.417 2.596
48 HE2 LYS 10 1HE LYS 10 -12.183 3.751 3.005
49 HE3 LYS 10 2HE LYS 10 -13.828 4.215 3.437
50 HZ1 LYS 10 3HZ LYS 10 -13.699 3.152 5.387
51 HZ2 LYS 10 1HZ LYS 10 -12.024 3.237 5.161
52 HZ3 LYS 10 2HZ LYS 10 -12.863 1.828 4.748
53 H THR 11 H THR 11 -10.448 4.350 -1.542
54 HA THR 11 HA THR 11 -8.385 2.651 -2.696
55 HB THR 11 HB THR 11 -7.215 4.863 -3.106
56 HG1 THR 11 HG1 THR 11 -8.819 5.820 -1.407
57 HG21 THR 11 3HG2 THR 11 -8.138 4.578 -5.113
58 HG22 THR 11 1HG2 THR 11 -9.563 5.456 -4.560
59 HG23 THR 11 2HG2 THR 11 -9.489 3.702 -4.396
60 H THR 12 H THR 12 -8.883 2.366 0.113
61 HA THR 12 HA THR 12 -7.109 3.783 1.744
62 HB THR 12 HB THR 12 -7.730 0.882 2.228
63 HG1 THR 12 HG1 THR 12 -9.509 2.992 2.891
64 HG21 THR 12 3HG2 THR 12 -6.469 1.634 3.998
65 HG22 THR 12 1HG2 THR 12 -8.089 2.025 4.574
66 HG23 THR 12 2HG2 THR 12 -7.075 3.285 3.869
67 H SER 13 H SER 13 -5.165 2.856 2.834
68 HA SER 13 HA SER 13 -3.266 2.034 0.834
69 HB2 SER 13 1HB SER 13 -2.773 2.312 3.803
70 HB3 SER 13 2HB SER 13 -1.589 2.408 2.499
71 HG SER 13 HG SER 13 -2.887 4.394 3.581
72 H GLU 14 H GLU 14 -4.795 -0.003 0.679
73 HA GLU 14 HA GLU 14 -4.231 -2.056 2.628
74 HB2 GLU 14 1HB GLU 14 -6.398 -2.137 1.655
75 HB3 GLU 14 2HB GLU 14 -5.749 -2.028 0.025
76 HG2 GLU 14 1HG GLU 14 -4.629 -4.269 0.512
77 HG3 GLU 14 2HG GLU 14 -5.711 -4.364 1.900
78 H CYS 15 H CYS 15 -2.844 -3.749 2.440
79 HA CYS 15 HA CYS 15 -0.680 -3.480 0.577
80 HB2 CYS 15 1HB CYS 15 -0.552 -4.300 3.008
81 HB3 CYS 15 2HB CYS 15 -1.143 -5.840 2.392
82 H GLN 16 H GLN 16 -1.520 -3.816 -1.477
83 HA GLN 16 HA GLN 16 -3.228 -5.793 -2.336
84 HB2 GLN 16 1HB GLN 16 -2.169 -5.539 -4.562
85 HB3 GLN 16 2HB GLN 16 -2.540 -3.998 -3.800
86 HG2 GLN 16 1HG GLN 16 -0.446 -3.564 -4.567
87 HG3 GLN 16 2HG GLN 16 -0.056 -4.187 -2.965
88 HE21 GLN 16 1HE2 GLN 16 1.671 -4.140 -5.222
89 HE22 GLN 16 2HE2 GLN 16 2.061 -5.777 -5.613
90 H GLU 17 H GLU 17 -0.021 -6.130 -1.196
91 HA GLU 17 HA GLU 17 0.749 -8.478 -2.557
92 HB2 GLU 17 1HB GLU 17 1.571 -7.464 0.170
93 HB3 GLU 17 2HB GLU 17 2.374 -8.760 -0.706
94 HG2 GLU 17 1HG GLU 17 3.353 -7.344 -2.194
95 HG3 GLU 17 2HG GLU 17 2.064 -6.148 -2.074
96 H CYS 18 H CYS 18 -0.549 -8.066 0.741
97 HA CYS 18 HA CYS 18 -1.385 -10.887 0.672
98 HB2 CYS 18 1HB CYS 18 -1.484 -10.687 3.167
99 HB3 CYS 18 2HB CYS 18 0.128 -10.472 2.494
100 H GLY 19 H GLY 19 -2.438 -7.611 1.483
101 HA2 GLY 19 1HA GLY 19 -4.706 -6.995 0.786
102 HA3 GLY 19 2HA GLY 19 -5.225 -8.582 1.334
103 H LYS 20 H LYS 20 -3.036 -6.383 3.015
104 HA LYS 20 HA LYS 20 -4.913 -6.367 5.270
105 HB2 LYS 20 1HB LYS 20 -2.365 -7.061 5.363
106 HB3 LYS 20 2HB LYS 20 -2.121 -5.324 5.484
107 HG2 LYS 20 1HG LYS 20 -3.102 -5.188 7.550
108 HG3 LYS 20 2HG LYS 20 -4.091 -6.627 7.295
109 HD2 LYS 20 1HD LYS 20 -2.239 -8.069 7.647
110 HD3 LYS 20 2HD LYS 20 -1.093 -6.729 7.563
111 HE2 LYS 20 1HE LYS 20 -3.228 -6.906 9.674
112 HE3 LYS 20 2HE LYS 20 -1.636 -7.637 9.875
113 HZ1 LYS 20 3HZ LYS 20 -1.533 -5.519 10.865
114 HZ2 LYS 20 1HZ LYS 20 -2.286 -4.765 9.550
115 HZ3 LYS 20 2HZ LYS 20 -0.713 -5.367 9.393
116 H ILE 21 H ILE 21 -6.152 -4.635 5.491
117 HA ILE 21 HA ILE 21 -5.554 -2.171 4.129
118 HB ILE 21 HB ILE 21 -7.789 -2.829 6.052
119 HG12 ILE 21 1HG1 ILE 21 -9.026 -2.660 3.710
120 HG13 ILE 21 2HG1 ILE 21 -7.438 -3.112 3.101
121 HG21 ILE 21 1HG2 ILE 21 -8.881 -0.833 5.027
122 HG22 ILE 21 2HG2 ILE 21 -7.465 -0.461 6.009
123 HG23 ILE 21 3HG2 ILE 21 -7.343 -0.457 4.250
124 HD11 ILE 21 3HD1 ILE 21 -7.796 -5.230 3.616
125 HD12 ILE 21 1HD1 ILE 21 -8.165 -4.811 5.288
126 HD13 ILE 21 2HD1 ILE 21 -9.443 -4.795 4.073
127 H PHE 22 H PHE 22 -4.741 -0.332 4.955
128 HA PHE 22 HA PHE 22 -4.290 -0.205 7.861
129 HB2 PHE 22 1HB PHE 22 -2.375 0.608 5.665
130 HB3 PHE 22 2HB PHE 22 -2.135 0.953 7.375
131 HD1 PHE 22 HD1 PHE 22 -1.742 -0.896 8.965
132 HD2 PHE 22 HD2 PHE 22 -1.921 -1.534 4.760
133 HE1 PHE 22 HE1 PHE 22 -0.645 -3.080 9.253
134 HE2 PHE 22 HE2 PHE 22 -0.825 -3.719 5.042
135 HZ PHE 22 HZ PHE 22 -0.186 -4.495 7.290
136 H ARG 23 H ARG 23 -4.799 1.672 8.842
137 HA ARG 23 HA ARG 23 -6.540 3.488 7.792
138 HB2 ARG 23 1HB ARG 23 -5.644 3.179 10.224
139 HB3 ARG 23 2HB ARG 23 -4.488 4.424 9.768
140 HG2 ARG 23 1HG ARG 23 -6.206 5.610 10.779
141 HG3 ARG 23 2HG ARG 23 -6.541 5.788 9.055
142 HD2 ARG 23 1HD ARG 23 -8.099 3.825 9.265
143 HD3 ARG 23 2HD ARG 23 -7.879 3.930 11.012
144 HE ARG 23 HE ARG 23 -9.283 5.735 11.039
145 HH11 ARG 23 1HH1 ARG 23 -8.205 5.187 7.774
146 HH12 ARG 23 2HH1 ARG 23 -9.273 6.365 7.086
147 HH21 ARG 23 1HH2 ARG 23 -10.693 7.288 10.144
148 HH22 ARG 23 2HH2 ARG 23 -10.687 7.560 8.435
149 H HIS 24 H HIS 24 -3.149 4.394 8.415
150 HA HIS 24 HA HIS 24 -3.296 6.175 6.076
151 HB2 HIS 24 1HB HIS 24 -1.207 7.203 7.277
152 HB3 HIS 24 2HB HIS 24 -2.826 7.585 7.853
153 HD2 HIS 24 HD2 HIS 24 -3.568 6.134 10.248
154 HE1 HIS 24 HE1 HIS 24 0.465 5.326 11.288
155 HE2 HIS 24 HE2 HIS 24 -1.934 5.258 12.051
156 H SER 25 H SER 25 -1.698 6.145 4.530
157 HA SER 25 HA SER 25 -0.571 3.872 3.669
158 HB2 SER 25 1HB SER 25 0.615 6.649 3.516
159 HB3 SER 25 2HB SER 25 1.242 5.276 2.604
160 HG SER 25 HG SER 25 -0.213 5.842 1.197
161 H SER 26 H SER 26 1.125 6.162 5.809
162 HA SER 26 HA SER 26 3.525 5.074 6.197
163 HB2 SER 26 1HB SER 26 1.696 5.882 8.472
164 HB3 SER 26 2HB SER 26 3.455 5.785 8.548
165 HG SER 26 HG SER 26 1.845 7.596 7.098
166 H LEU 27 H LEU 27 0.662 3.914 7.981
167 HA LEU 27 HA LEU 27 1.786 1.818 9.348
168 HB2 LEU 27 1HB LEU 27 -0.920 2.315 8.217
169 HB3 LEU 27 2HB LEU 27 -0.561 0.712 8.856
170 HG LEU 27 HG LEU 27 -0.308 3.271 10.434
171 HD11 LEU 27 1HD1 LEU 27 -2.648 2.686 9.708
172 HD12 LEU 27 2HD1 LEU 27 -2.387 2.775 11.449
173 HD13 LEU 27 3HD1 LEU 27 -2.484 1.205 10.651
174 HD21 LEU 27 3HD2 LEU 27 0.485 2.041 12.126
175 HD22 LEU 27 1HD2 LEU 27 0.854 0.836 10.892
176 HD23 LEU 27 2HD2 LEU 27 -0.643 0.719 11.818
177 H LEU 28 H LEU 28 0.475 1.754 6.045
178 HA LEU 28 HA LEU 28 1.050 -0.977 5.575
179 HB2 LEU 28 1HB LEU 28 -0.538 -0.089 4.145
180 HB3 LEU 28 2HB LEU 28 0.400 1.374 3.851
181 HG LEU 28 HG LEU 28 2.011 -0.093 2.548
182 HD11 LEU 28 1HD1 LEU 28 1.089 -2.219 3.549
183 HD12 LEU 28 2HD1 LEU 28 1.309 -2.219 1.800
184 HD13 LEU 28 3HD1 LEU 28 -0.302 -2.012 2.485
185 HD21 LEU 28 3HD2 LEU 28 -0.824 0.326 1.619
186 HD22 LEU 28 1HD2 LEU 28 0.500 -0.154 0.557
187 HD23 LEU 28 2HD2 LEU 28 0.556 1.400 1.389
188 H ILE 29 H ILE 29 2.889 1.979 5.161
189 HA ILE 29 HA ILE 29 4.948 1.003 3.533
190 HB ILE 29 HB ILE 29 5.084 3.140 5.663
191 HG12 ILE 29 1HG1 ILE 29 4.632 3.316 2.676
192 HG13 ILE 29 2HG1 ILE 29 3.420 3.600 3.920
193 HG21 ILE 29 1HG2 ILE 29 7.153 1.936 4.136
194 HG22 ILE 29 2HG2 ILE 29 6.920 3.582 3.549
195 HG23 ILE 29 3HG2 ILE 29 7.259 3.294 5.256
196 HD11 ILE 29 3HD1 ILE 29 4.110 5.720 3.211
197 HD12 ILE 29 1HD1 ILE 29 4.927 5.458 4.752
198 HD13 ILE 29 2HD1 ILE 29 5.815 5.267 3.240
199 H GLU 30 H GLU 30 4.588 1.015 7.057
200 HA GLU 30 HA GLU 30 7.154 -0.140 7.551
201 HB2 GLU 30 1HB GLU 30 4.698 0.198 9.271
202 HB3 GLU 30 2HB GLU 30 6.183 -0.537 9.860
203 HG2 GLU 30 1HG GLU 30 5.764 2.287 8.934
204 HG3 GLU 30 2HG GLU 30 6.207 1.724 10.544
205 H HIS 31 H HIS 31 3.909 -1.384 7.084
206 HA HIS 31 HA HIS 31 4.452 -4.038 7.947
207 HB2 HIS 31 1HB HIS 31 2.181 -3.535 7.941
208 HB3 HIS 31 2HB HIS 31 2.260 -2.730 6.377
209 HD1 HIS 31 HD1 HIS 31 1.717 -6.033 7.959
210 HD2 HIS 31 HD2 HIS 31 2.218 -4.484 4.137
211 HE1 HIS 31 HE1 HIS 31 1.001 -7.865 6.393
212 H GLN 32 H GLN 32 4.395 -2.472 4.767
213 HA GLN 32 HA GLN 32 4.771 -4.642 3.122
214 HB2 GLN 32 1HB GLN 32 5.717 -1.800 2.958
215 HB3 GLN 32 2HB GLN 32 6.179 -2.959 1.718
216 HG2 GLN 32 1HG GLN 32 3.634 -3.446 1.592
217 HG3 GLN 32 2HG GLN 32 3.480 -1.879 2.386
218 HE21 GLN 32 1HE2 GLN 32 2.360 -1.258 0.433
219 HE22 GLN 32 2HE2 GLN 32 3.270 -0.755 -0.947
220 H ALA 33 H ALA 33 7.248 -2.796 4.866
221 HA ALA 33 HA ALA 33 9.566 -3.847 3.937
222 HB1 ALA 33 3HB ALA 33 9.197 -3.667 6.899
223 HB2 ALA 33 1HB ALA 33 10.583 -3.202 5.912
224 HB3 ALA 33 2HB ALA 33 9.121 -2.214 5.903
225 H LEU 34 H LEU 34 7.300 -5.426 6.136
226 HA LEU 34 HA LEU 34 8.806 -7.628 6.889
227 HB2 LEU 34 1HB LEU 34 6.864 -8.532 7.673
228 HB3 LEU 34 2HB LEU 34 6.388 -6.842 7.522
229 HG LEU 34 HG LEU 34 5.479 -7.551 5.204
230 HD11 LEU 34 1HD1 LEU 34 6.059 -9.680 4.738
231 HD12 LEU 34 2HD1 LEU 34 4.608 -10.048 5.671
232 HD13 LEU 34 3HD1 LEU 34 6.194 -10.133 6.437
233 HD21 LEU 34 3HD2 LEU 34 3.508 -8.730 6.696
234 HD22 LEU 34 1HD2 LEU 34 3.709 -6.994 6.452
235 HD23 LEU 34 2HD2 LEU 34 4.368 -7.764 7.896
236 H HIS 35 H HIS 35 6.866 -7.133 3.973
237 HA HIS 35 HA HIS 35 7.154 -9.737 2.930
238 HB2 HIS 35 1HB HIS 35 6.558 -7.079 1.635
239 HB3 HIS 35 2HB HIS 35 6.625 -8.580 0.716
240 HD1 HIS 35 HD1 HIS 35 5.075 -10.506 2.385
241 HD2 HIS 35 HD2 HIS 35 3.934 -6.535 1.946
242 HE1 HIS 35 HE1 HIS 35 2.615 -10.453 2.902
243 H ALA 36 H ALA 36 8.949 -6.737 2.267
244 HA ALA 36 HA ALA 36 10.720 -7.697 0.369
245 HB1 ALA 36 3HB ALA 36 10.558 -5.342 0.890
246 HB2 ALA 36 1HB ALA 36 11.209 -5.625 2.505
247 HB3 ALA 36 2HB ALA 36 12.226 -5.880 1.086
248 H GLY 37 H GLY 37 11.089 -7.676 3.911
249 HA2 GLY 37 1HA GLY 37 13.642 -8.897 3.933
250 HA3 GLY 37 2HA GLY 37 12.528 -8.819 5.289
251 H GLU 38 H GLU 38 10.397 -10.269 4.455
252 HA GLU 38 HA GLU 38 11.528 -12.956 4.394
253 HB2 GLU 38 1HB GLU 38 8.680 -12.050 4.852
254 HB3 GLU 38 2HB GLU 38 9.272 -13.696 5.022
255 HG2 GLU 38 1HG GLU 38 9.984 -11.311 6.706
256 HG3 GLU 38 2HG GLU 38 9.088 -12.749 7.194
257 H SER 39 H SER 39 12.143 -12.971 2.175
258 HA SER 39 HA SER 39 9.877 -13.155 0.300
259 HB2 SER 39 1HB SER 39 11.539 -11.340 -0.171
260 HB3 SER 39 2HB SER 39 12.769 -12.585 -0.386
261 HG SER 39 HG SER 39 12.034 -12.899 -2.320
262 H GLY 40 H GLY 40 10.341 -14.650 -1.593
263 HA2 GLY 40 1HA GLY 40 11.354 -17.176 -0.494
264 HA3 GLY 40 2HA GLY 40 10.266 -17.013 -1.865
265 HA PRO 41 HA PRO 41 14.941 -17.203 -3.033
266 HB2 PRO 41 1HB PRO 41 15.356 -19.882 -3.177
267 HB3 PRO 41 2HB PRO 41 15.678 -18.937 -1.718
268 HG2 PRO 41 1HG PRO 41 13.303 -20.630 -2.392
269 HG3 PRO 41 2HG PRO 41 14.194 -20.509 -0.863
270 HD2 PRO 41 1HD PRO 41 11.842 -19.235 -1.283
271 HD3 PRO 41 2HD PRO 41 13.116 -18.568 -0.244
272 H SER 42 H SER 42 12.124 -19.101 -3.916
273 HA SER 42 HA SER 42 13.064 -19.281 -6.687
274 HB2 SER 42 1HB SER 42 10.700 -20.604 -5.334
275 HB3 SER 42 2HB SER 42 11.192 -20.861 -7.008
276 HG SER 42 HG SER 42 11.956 -22.352 -5.192
277 H SER 43 H SER 43 11.449 -18.866 -8.410
278 HA SER 43 HA SER 43 10.204 -17.319 -9.535
279 HB2 SER 43 1HB SER 43 8.539 -17.641 -7.029
280 HB3 SER 43 2HB SER 43 7.983 -16.814 -8.484
281 HG SER 43 HG SER 43 8.101 -18.726 -9.603
282 H GLY 44 H GLY 44 12.370 -16.180 -8.222
283 HA2 GLY 44 1HA GLY 44 13.005 -13.907 -8.137
284 HA3 GLY 44 2HA GLY 44 11.335 -13.477 -7.802
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -22.147 -17.787 3.528
2 HA2 GLY 1 1HA GLY 1 -20.446 -16.336 1.600
3 HA3 GLY 1 2HA GLY 1 -21.792 -15.621 2.475
4 H SER 2 H SER 2 -19.538 -14.244 2.583
5 HA SER 2 HA SER 2 -17.859 -15.020 4.785
6 HB2 SER 2 1HB SER 2 -16.815 -12.791 4.454
7 HB3 SER 2 2HB SER 2 -16.910 -13.719 2.957
8 HG SER 2 HG SER 2 -19.044 -12.031 3.549
9 H SER 3 H SER 3 -19.061 -15.179 6.636
10 HA SER 3 HA SER 3 -20.924 -13.157 7.441
11 HB2 SER 3 1HB SER 3 -19.730 -15.510 8.920
12 HB3 SER 3 2HB SER 3 -20.966 -14.450 9.597
13 HG SER 3 HG SER 3 -21.463 -15.543 7.086
14 H GLY 4 H GLY 4 -20.332 -11.224 8.155
15 HA2 GLY 4 1HA GLY 4 -19.249 -9.593 9.359
16 HA3 GLY 4 2HA GLY 4 -18.606 -10.878 10.370
17 H SER 5 H SER 5 -18.173 -9.832 6.986
18 HA SER 5 HA SER 5 -15.271 -9.782 7.486
19 HB2 SER 5 1HB SER 5 -15.793 -11.788 6.198
20 HB3 SER 5 2HB SER 5 -16.676 -10.825 5.014
21 HG SER 5 HG SER 5 -14.038 -10.103 5.535
22 H SER 6 H SER 6 -15.149 -7.571 7.692
23 HA SER 6 HA SER 6 -16.007 -5.981 5.366
24 HB2 SER 6 1HB SER 6 -16.959 -5.440 7.676
25 HB3 SER 6 2HB SER 6 -15.341 -4.877 8.096
26 HG SER 6 HG SER 6 -15.534 -3.479 6.205
27 H GLY 7 H GLY 7 -14.123 -6.450 4.155
28 HA2 GLY 7 1HA GLY 7 -11.846 -4.785 4.931
29 HA3 GLY 7 2HA GLY 7 -11.533 -6.488 4.633
30 H ALA 8 H ALA 8 -13.709 -4.257 2.936
31 HA ALA 8 HA ALA 8 -12.084 -4.664 0.510
32 HB1 ALA 8 3HB ALA 8 -15.059 -4.303 0.417
33 HB2 ALA 8 1HB ALA 8 -13.980 -4.953 -0.817
34 HB3 ALA 8 2HB ALA 8 -14.332 -5.895 0.632
35 H ALA 9 H ALA 9 -11.003 -2.705 0.709
36 HA ALA 9 HA ALA 9 -12.681 -0.290 0.513
37 HB1 ALA 9 3HB ALA 9 -11.216 -0.443 2.525
38 HB2 ALA 9 1HB ALA 9 -9.819 -0.419 1.448
39 HB3 ALA 9 2HB ALA 9 -10.907 0.968 1.513
40 H LYS 10 H LYS 10 -11.885 1.435 -0.859
41 HA LYS 10 HA LYS 10 -10.186 0.462 -3.062
42 HB2 LYS 10 1HB LYS 10 -11.566 1.843 -4.594
43 HB3 LYS 10 2HB LYS 10 -12.473 0.539 -3.840
44 HG2 LYS 10 1HG LYS 10 -12.509 3.207 -2.535
45 HG3 LYS 10 2HG LYS 10 -13.441 2.981 -4.017
46 HD2 LYS 10 1HD LYS 10 -14.628 1.113 -3.012
47 HD3 LYS 10 2HD LYS 10 -13.655 1.260 -1.546
48 HE2 LYS 10 1HE LYS 10 -15.561 2.394 -0.936
49 HE3 LYS 10 2HE LYS 10 -14.559 3.711 -1.544
50 HZ1 LYS 10 3HZ LYS 10 -15.940 4.075 -3.247
51 HZ2 LYS 10 1HZ LYS 10 -17.076 3.209 -2.340
52 HZ3 LYS 10 2HZ LYS 10 -16.189 2.430 -3.551
53 H THR 11 H THR 11 -10.824 2.893 -0.755
54 HA THR 11 HA THR 11 -8.758 4.609 -1.972
55 HB THR 11 HB THR 11 -9.833 6.542 -0.835
56 HG1 THR 11 HG1 THR 11 -12.207 5.941 -0.351
57 HG21 THR 11 3HG2 THR 11 -10.340 5.707 -3.241
58 HG22 THR 11 1HG2 THR 11 -11.383 6.934 -2.523
59 HG23 THR 11 2HG2 THR 11 -11.906 5.250 -2.571
60 H THR 12 H THR 12 -8.324 2.428 -0.149
61 HA THR 12 HA THR 12 -7.238 3.932 2.138
62 HB THR 12 HB THR 12 -8.078 1.059 2.403
63 HG1 THR 12 HG1 THR 12 -9.806 2.798 1.793
64 HG21 THR 12 3HG2 THR 12 -6.939 1.496 4.311
65 HG22 THR 12 1HG2 THR 12 -8.466 2.225 4.803
66 HG23 THR 12 2HG2 THR 12 -7.167 3.239 4.174
67 H SER 13 H SER 13 -5.260 3.169 2.999
68 HA SER 13 HA SER 13 -3.460 2.161 1.039
69 HB2 SER 13 1HB SER 13 -2.776 2.262 3.958
70 HB3 SER 13 2HB SER 13 -1.761 2.626 2.564
71 HG SER 13 HG SER 13 -3.309 4.451 2.253
72 H GLU 14 H GLU 14 -4.572 0.133 0.575
73 HA GLU 14 HA GLU 14 -4.255 -1.942 2.618
74 HB2 GLU 14 1HB GLU 14 -6.413 -2.048 1.706
75 HB3 GLU 14 2HB GLU 14 -5.836 -1.761 0.071
76 HG2 GLU 14 1HG GLU 14 -4.763 -3.992 0.108
77 HG3 GLU 14 2HG GLU 14 -5.491 -4.273 1.689
78 H CYS 15 H CYS 15 -3.052 -3.800 2.284
79 HA CYS 15 HA CYS 15 -0.861 -3.508 0.410
80 HB2 CYS 15 1HB CYS 15 -0.652 -4.286 2.843
81 HB3 CYS 15 2HB CYS 15 -1.303 -5.825 2.287
82 H GLN 16 H GLN 16 -1.178 -4.135 -1.623
83 HA GLN 16 HA GLN 16 -3.141 -6.017 -2.419
84 HB2 GLN 16 1HB GLN 16 -2.024 -5.859 -4.652
85 HB3 GLN 16 2HB GLN 16 -2.484 -4.307 -3.964
86 HG2 GLN 16 1HG GLN 16 -0.250 -3.789 -3.397
87 HG3 GLN 16 2HG GLN 16 0.285 -5.439 -3.713
88 HE21 GLN 16 1HE2 GLN 16 1.758 -5.045 -5.272
89 HE22 GLN 16 2HE2 GLN 16 1.386 -4.355 -6.811
90 H GLU 17 H GLU 17 0.052 -6.347 -1.254
91 HA GLU 17 HA GLU 17 0.786 -8.756 -2.548
92 HB2 GLU 17 1HB GLU 17 1.684 -7.486 0.036
93 HB3 GLU 17 2HB GLU 17 2.376 -8.979 -0.581
94 HG2 GLU 17 1HG GLU 17 2.333 -6.412 -2.141
95 HG3 GLU 17 2HG GLU 17 3.664 -6.893 -1.091
96 H CYS 18 H CYS 18 -0.620 -8.118 0.658
97 HA CYS 18 HA CYS 18 -1.410 -10.954 0.779
98 HB2 CYS 18 1HB CYS 18 -1.484 -10.644 3.251
99 HB3 CYS 18 2HB CYS 18 0.123 -10.421 2.568
100 H GLY 19 H GLY 19 -2.439 -7.634 1.444
101 HA2 GLY 19 1HA GLY 19 -4.689 -7.002 0.744
102 HA3 GLY 19 2HA GLY 19 -5.231 -8.582 1.290
103 H LYS 20 H LYS 20 -3.054 -6.377 2.984
104 HA LYS 20 HA LYS 20 -4.952 -6.351 5.221
105 HB2 LYS 20 1HB LYS 20 -2.394 -7.027 5.331
106 HB3 LYS 20 2HB LYS 20 -2.173 -5.288 5.465
107 HG2 LYS 20 1HG LYS 20 -3.175 -5.177 7.521
108 HG3 LYS 20 2HG LYS 20 -4.148 -6.624 7.245
109 HD2 LYS 20 1HD LYS 20 -2.402 -8.054 7.762
110 HD3 LYS 20 2HD LYS 20 -1.170 -6.839 7.414
111 HE2 LYS 20 1HE LYS 20 -1.223 -7.115 9.772
112 HE3 LYS 20 2HE LYS 20 -2.002 -5.573 9.419
113 HZ1 LYS 20 3HZ LYS 20 -3.068 -7.859 10.721
114 HZ2 LYS 20 1HZ LYS 20 -4.017 -7.449 9.382
115 HZ3 LYS 20 2HZ LYS 20 -3.719 -6.303 10.590
116 H ILE 21 H ILE 21 -6.137 -4.599 5.555
117 HA ILE 21 HA ILE 21 -5.566 -2.147 4.134
118 HB ILE 21 HB ILE 21 -7.796 -2.811 6.061
119 HG12 ILE 21 1HG1 ILE 21 -9.060 -2.646 3.753
120 HG13 ILE 21 2HG1 ILE 21 -7.472 -3.025 3.093
121 HG21 ILE 21 1HG2 ILE 21 -8.126 -0.617 4.134
122 HG22 ILE 21 2HG2 ILE 21 -8.627 -0.735 5.820
123 HG23 ILE 21 3HG2 ILE 21 -6.961 -0.318 5.424
124 HD11 ILE 21 3HD1 ILE 21 -8.982 -4.981 3.444
125 HD12 ILE 21 1HD1 ILE 21 -7.409 -5.104 4.231
126 HD13 ILE 21 2HD1 ILE 21 -8.840 -4.698 5.179
127 H PHE 22 H PHE 22 -4.640 -0.367 4.932
128 HA PHE 22 HA PHE 22 -4.206 -0.216 7.843
129 HB2 PHE 22 1HB PHE 22 -2.321 0.635 5.635
130 HB3 PHE 22 2HB PHE 22 -2.056 0.924 7.351
131 HD1 PHE 22 HD1 PHE 22 -1.629 -0.969 8.872
132 HD2 PHE 22 HD2 PHE 22 -1.902 -1.485 4.656
133 HE1 PHE 22 HE1 PHE 22 -0.534 -3.162 9.073
134 HE2 PHE 22 HE2 PHE 22 -0.808 -3.680 4.851
135 HZ PHE 22 HZ PHE 22 -0.123 -4.522 7.061
136 H ARG 23 H ARG 23 -4.741 1.643 8.832
137 HA ARG 23 HA ARG 23 -6.486 3.462 7.801
138 HB2 ARG 23 1HB ARG 23 -5.475 3.130 10.228
139 HB3 ARG 23 2HB ARG 23 -4.464 4.485 9.743
140 HG2 ARG 23 1HG ARG 23 -6.227 5.529 10.796
141 HG3 ARG 23 2HG ARG 23 -6.702 5.611 9.098
142 HD2 ARG 23 1HD ARG 23 -8.651 4.842 10.002
143 HD3 ARG 23 2HD ARG 23 -7.852 3.305 9.675
144 HE ARG 23 HE ARG 23 -7.754 2.929 11.925
145 HH11 ARG 23 1HH1 ARG 23 -8.326 6.319 11.375
146 HH12 ARG 23 2HH1 ARG 23 -8.574 6.683 13.050
147 HH21 ARG 23 1HH2 ARG 23 -8.079 3.395 14.134
148 HH22 ARG 23 2HH2 ARG 23 -8.432 5.019 14.620
149 H HIS 24 H HIS 24 -3.096 4.379 8.414
150 HA HIS 24 HA HIS 24 -3.259 6.164 6.078
151 HB2 HIS 24 1HB HIS 24 -1.201 7.236 7.265
152 HB3 HIS 24 2HB HIS 24 -2.817 7.561 7.884
153 HD2 HIS 24 HD2 HIS 24 -3.450 6.123 10.298
154 HE1 HIS 24 HE1 HIS 24 0.617 5.312 11.194
155 HE2 HIS 24 HE2 HIS 24 -1.754 5.240 12.040
156 H SER 25 H SER 25 -1.717 6.090 4.500
157 HA SER 25 HA SER 25 -0.552 3.846 3.657
158 HB2 SER 25 1HB SER 25 1.217 5.237 2.549
159 HB3 SER 25 2HB SER 25 -0.420 5.855 2.326
160 HG SER 25 HG SER 25 -0.002 7.504 3.657
161 H SER 26 H SER 26 1.108 6.144 5.813
162 HA SER 26 HA SER 26 3.527 5.087 6.195
163 HB2 SER 26 1HB SER 26 1.790 5.732 8.581
164 HB3 SER 26 2HB SER 26 3.537 5.920 8.434
165 HG SER 26 HG SER 26 2.901 7.908 7.995
166 H LEU 27 H LEU 27 0.694 3.896 8.009
167 HA LEU 27 HA LEU 27 1.854 1.798 9.340
168 HB2 LEU 27 1HB LEU 27 -0.877 2.275 8.255
169 HB3 LEU 27 2HB LEU 27 -0.492 0.680 8.898
170 HG LEU 27 HG LEU 27 -0.257 3.258 10.448
171 HD11 LEU 27 1HD1 LEU 27 -2.276 2.588 11.588
172 HD12 LEU 27 2HD1 LEU 27 -2.386 1.130 10.603
173 HD13 LEU 27 3HD1 LEU 27 -2.588 2.714 9.856
174 HD21 LEU 27 3HD2 LEU 27 0.921 0.785 10.892
175 HD22 LEU 27 1HD2 LEU 27 -0.496 0.792 11.942
176 HD23 LEU 27 2HD2 LEU 27 0.704 2.079 12.072
177 H LEU 28 H LEU 28 0.446 1.722 6.075
178 HA LEU 28 HA LEU 28 1.030 -0.993 5.572
179 HB2 LEU 28 1HB LEU 28 -0.593 -0.037 4.197
180 HB3 LEU 28 2HB LEU 28 0.410 1.367 3.835
181 HG LEU 28 HG LEU 28 1.880 -0.118 2.475
182 HD11 LEU 28 1HD1 LEU 28 1.001 -2.198 3.734
183 HD12 LEU 28 2HD1 LEU 28 1.359 -2.325 2.012
184 HD13 LEU 28 3HD1 LEU 28 -0.310 -2.153 2.555
185 HD21 LEU 28 3HD2 LEU 28 -0.342 1.177 1.750
186 HD22 LEU 28 1HD2 LEU 28 -0.822 -0.466 1.323
187 HD23 LEU 28 2HD2 LEU 28 0.633 0.238 0.618
188 H ILE 29 H ILE 29 2.858 1.969 5.115
189 HA ILE 29 HA ILE 29 4.893 0.993 3.464
190 HB ILE 29 HB ILE 29 5.032 3.140 5.584
191 HG12 ILE 29 1HG1 ILE 29 4.551 3.234 2.600
192 HG13 ILE 29 2HG1 ILE 29 3.408 3.661 3.868
193 HG21 ILE 29 1HG2 ILE 29 7.055 3.902 4.542
194 HG22 ILE 29 2HG2 ILE 29 7.248 2.202 4.969
195 HG23 ILE 29 3HG2 ILE 29 6.933 2.660 3.295
196 HD11 ILE 29 3HD1 ILE 29 5.941 5.117 3.155
197 HD12 ILE 29 1HD1 ILE 29 4.285 5.657 2.877
198 HD13 ILE 29 2HD1 ILE 29 4.902 5.516 4.524
199 H GLU 30 H GLU 30 4.610 1.028 6.997
200 HA GLU 30 HA GLU 30 7.176 -0.141 7.441
201 HB2 GLU 30 1HB GLU 30 4.760 0.208 9.215
202 HB3 GLU 30 2HB GLU 30 6.262 -0.517 9.773
203 HG2 GLU 30 1HG GLU 30 6.264 2.189 8.507
204 HG3 GLU 30 2HG GLU 30 5.829 1.987 10.204
205 H HIS 31 H HIS 31 3.920 -1.371 7.040
206 HA HIS 31 HA HIS 31 4.444 -4.018 7.920
207 HB2 HIS 31 1HB HIS 31 2.179 -3.551 7.902
208 HB3 HIS 31 2HB HIS 31 2.262 -2.686 6.370
209 HD1 HIS 31 HD1 HIS 31 1.942 -6.126 7.804
210 HD2 HIS 31 HD2 HIS 31 1.979 -4.272 4.086
211 HE1 HIS 31 HE1 HIS 31 1.161 -7.874 6.173
212 H GLN 32 H GLN 32 4.274 -2.555 4.682
213 HA GLN 32 HA GLN 32 4.718 -4.770 3.120
214 HB2 GLN 32 1HB GLN 32 5.634 -1.920 2.787
215 HB3 GLN 32 2HB GLN 32 5.924 -3.142 1.556
216 HG2 GLN 32 1HG GLN 32 3.451 -3.552 1.521
217 HG3 GLN 32 2HG GLN 32 3.276 -2.134 2.553
218 HE21 GLN 32 1HE2 GLN 32 2.023 -2.190 0.156
219 HE22 GLN 32 2HE2 GLN 32 2.775 -1.087 -0.941
220 H ALA 33 H ALA 33 7.124 -2.778 4.789
221 HA ALA 33 HA ALA 33 9.477 -3.745 3.822
222 HB1 ALA 33 3HB ALA 33 8.621 -2.451 6.231
223 HB2 ALA 33 1HB ALA 33 9.858 -3.652 6.602
224 HB3 ALA 33 2HB ALA 33 10.187 -2.383 5.422
225 H LEU 34 H LEU 34 7.306 -5.346 6.090
226 HA LEU 34 HA LEU 34 8.960 -7.453 6.876
227 HB2 LEU 34 1HB LEU 34 7.099 -8.394 7.808
228 HB3 LEU 34 2HB LEU 34 6.571 -6.721 7.644
229 HG LEU 34 HG LEU 34 5.513 -7.498 5.426
230 HD11 LEU 34 1HD1 LEU 34 4.898 -10.102 6.292
231 HD12 LEU 34 2HD1 LEU 34 6.653 -9.948 6.356
232 HD13 LEU 34 3HD1 LEU 34 5.794 -9.619 4.852
233 HD21 LEU 34 3HD2 LEU 34 4.268 -8.659 7.898
234 HD22 LEU 34 1HD2 LEU 34 3.481 -7.908 6.510
235 HD23 LEU 34 2HD2 LEU 34 4.391 -6.917 7.649
236 H HIS 35 H HIS 35 6.812 -7.142 4.081
237 HA HIS 35 HA HIS 35 7.049 -9.756 3.108
238 HB2 HIS 35 1HB HIS 35 6.476 -7.126 1.756
239 HB3 HIS 35 2HB HIS 35 6.529 -8.638 0.854
240 HD1 HIS 35 HD1 HIS 35 4.994 -10.532 2.590
241 HD2 HIS 35 HD2 HIS 35 3.849 -6.575 2.049
242 HE1 HIS 35 HE1 HIS 35 2.536 -10.464 3.119
243 H ALA 36 H ALA 36 8.820 -6.836 2.072
244 HA ALA 36 HA ALA 36 10.561 -8.039 0.287
245 HB1 ALA 36 3HB ALA 36 12.132 -6.082 1.180
246 HB2 ALA 36 1HB ALA 36 10.734 -5.781 0.147
247 HB3 ALA 36 2HB ALA 36 10.608 -5.550 1.891
248 H GLY 37 H GLY 37 11.715 -9.819 0.715
249 HA2 GLY 37 1HA GLY 37 13.959 -10.361 1.702
250 HA3 GLY 37 2HA GLY 37 13.252 -9.884 3.239
251 H GLU 38 H GLU 38 12.427 -12.054 0.528
252 HA GLU 38 HA GLU 38 11.206 -13.928 2.367
253 HB2 GLU 38 1HB GLU 38 10.595 -15.189 0.376
254 HB3 GLU 38 2HB GLU 38 10.181 -13.493 0.173
255 HG2 GLU 38 1HG GLU 38 12.392 -13.259 -1.055
256 HG3 GLU 38 2HG GLU 38 12.432 -15.021 -1.084
257 H SER 39 H SER 39 13.904 -13.589 2.918
258 HA SER 39 HA SER 39 15.502 -15.611 1.690
259 HB2 SER 39 1HB SER 39 17.103 -15.117 3.533
260 HB3 SER 39 2HB SER 39 16.569 -13.667 2.682
261 HG SER 39 HG SER 39 15.428 -14.611 5.103
262 H GLY 40 H GLY 40 14.863 -17.675 1.881
263 HA2 GLY 40 1HA GLY 40 14.107 -18.637 4.569
264 HA3 GLY 40 2HA GLY 40 13.550 -19.355 3.065
265 HA PRO 41 HA PRO 41 17.029 -21.966 4.580
266 HB2 PRO 41 1HB PRO 41 15.857 -24.313 3.882
267 HB3 PRO 41 2HB PRO 41 15.543 -23.503 5.422
268 HG2 PRO 41 1HG PRO 41 13.913 -23.497 2.911
269 HG3 PRO 41 2HG PRO 41 13.375 -23.654 4.593
270 HD2 PRO 41 1HD PRO 41 13.215 -21.323 3.224
271 HD3 PRO 41 2HD PRO 41 13.497 -21.384 4.976
272 H SER 42 H SER 42 15.123 -22.209 1.600
273 HA SER 42 HA SER 42 15.687 -22.727 -0.547
274 HB2 SER 42 1HB SER 42 18.132 -21.261 0.430
275 HB3 SER 42 2HB SER 42 18.005 -21.835 -1.232
276 HG SER 42 HG SER 42 15.795 -20.648 -0.950
277 H SER 43 H SER 43 15.888 -24.901 1.099
278 HA SER 43 HA SER 43 18.256 -26.285 1.266
279 HB2 SER 43 1HB SER 43 16.879 -28.356 1.197
280 HB3 SER 43 2HB SER 43 16.208 -27.128 2.270
281 HG SER 43 HG SER 43 14.714 -28.217 0.754
282 H GLY 44 H GLY 44 16.036 -26.108 -1.494
283 HA2 GLY 44 1HA GLY 44 16.356 -26.564 -3.721
284 HA3 GLY 44 2HA GLY 44 18.074 -26.360 -3.415
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -12.319 -14.831 -4.316
2 HA2 GLY 1 1HA GLY 1 -13.759 -16.838 -3.596
3 HA3 GLY 1 2HA GLY 1 -13.641 -15.511 -2.449
4 H SER 2 H SER 2 -15.701 -16.340 -1.655
5 HA SER 2 HA SER 2 -17.983 -15.635 -3.369
6 HB2 SER 2 1HB SER 2 -19.317 -16.990 -1.716
7 HB3 SER 2 2HB SER 2 -18.116 -17.914 -2.617
8 HG SER 2 HG SER 2 -17.954 -16.983 0.053
9 H SER 3 H SER 3 -16.792 -15.335 -0.035
10 HA SER 3 HA SER 3 -18.748 -13.239 0.500
11 HB2 SER 3 1HB SER 3 -18.014 -15.182 2.115
12 HB3 SER 3 2HB SER 3 -16.677 -14.094 2.488
13 HG SER 3 HG SER 3 -18.426 -12.476 2.822
14 H GLY 4 H GLY 4 -18.295 -11.133 0.423
15 HA2 GLY 4 1HA GLY 4 -15.451 -10.350 0.244
16 HA3 GLY 4 2HA GLY 4 -16.739 -9.546 -0.641
17 H SER 5 H SER 5 -15.909 -10.391 2.723
18 HA SER 5 HA SER 5 -17.336 -8.100 3.734
19 HB2 SER 5 1HB SER 5 -16.561 -8.868 5.940
20 HB3 SER 5 2HB SER 5 -17.273 -10.192 5.020
21 HG SER 5 HG SER 5 -15.216 -10.943 4.559
22 H SER 6 H SER 6 -13.932 -9.107 3.557
23 HA SER 6 HA SER 6 -12.794 -6.874 4.770
24 HB2 SER 6 1HB SER 6 -11.744 -9.135 3.897
25 HB3 SER 6 2HB SER 6 -11.397 -8.170 2.463
26 HG SER 6 HG SER 6 -10.758 -7.055 4.932
27 H GLY 7 H GLY 7 -12.021 -4.917 4.023
28 HA2 GLY 7 1HA GLY 7 -11.608 -3.225 2.455
29 HA3 GLY 7 2HA GLY 7 -12.386 -4.208 1.223
30 H ALA 8 H ALA 8 -13.197 -2.490 4.239
31 HA ALA 8 HA ALA 8 -15.932 -2.131 3.465
32 HB1 ALA 8 3HB ALA 8 -15.119 -2.301 5.831
33 HB2 ALA 8 1HB ALA 8 -14.459 -0.675 5.650
34 HB3 ALA 8 2HB ALA 8 -16.197 -0.943 5.510
35 H ALA 9 H ALA 9 -13.118 0.029 3.734
36 HA ALA 9 HA ALA 9 -14.608 2.139 2.364
37 HB1 ALA 9 3HB ALA 9 -11.819 2.657 3.125
38 HB2 ALA 9 1HB ALA 9 -13.269 3.625 3.388
39 HB3 ALA 9 2HB ALA 9 -12.903 2.276 4.463
40 H LYS 10 H LYS 10 -13.160 3.467 0.793
41 HA LYS 10 HA LYS 10 -11.894 1.562 -1.065
42 HB2 LYS 10 1HB LYS 10 -13.313 4.160 -1.689
43 HB3 LYS 10 2HB LYS 10 -12.553 3.103 -2.872
44 HG2 LYS 10 1HG LYS 10 -14.767 2.168 -1.073
45 HG3 LYS 10 2HG LYS 10 -15.068 2.939 -2.633
46 HD2 LYS 10 1HD LYS 10 -13.550 1.186 -3.644
47 HD3 LYS 10 2HD LYS 10 -13.617 0.357 -2.087
48 HE2 LYS 10 1HE LYS 10 -15.265 -0.623 -3.510
49 HE3 LYS 10 2HE LYS 10 -16.104 0.336 -2.292
50 HZ1 LYS 10 3HZ LYS 10 -15.496 1.842 -4.649
51 HZ2 LYS 10 1HZ LYS 10 -16.973 1.645 -3.847
52 HZ3 LYS 10 2HZ LYS 10 -16.469 0.499 -4.984
53 H THR 11 H THR 11 -10.393 2.810 -2.663
54 HA THR 11 HA THR 11 -8.227 3.599 -2.752
55 HB THR 11 HB THR 11 -8.111 5.996 -2.652
56 HG1 THR 11 HG1 THR 11 -10.210 5.668 -0.835
57 HG21 THR 11 3HG2 THR 11 -9.435 6.218 -4.435
58 HG22 THR 11 1HG2 THR 11 -10.888 6.028 -3.455
59 HG23 THR 11 2HG2 THR 11 -10.059 4.606 -4.087
60 H THR 12 H THR 12 -8.336 2.098 -0.515
61 HA THR 12 HA THR 12 -7.145 3.732 1.619
62 HB THR 12 HB THR 12 -7.799 0.850 2.035
63 HG1 THR 12 HG1 THR 12 -9.614 2.210 0.987
64 HG21 THR 12 3HG2 THR 12 -7.069 3.098 3.623
65 HG22 THR 12 1HG2 THR 12 -7.342 1.433 4.135
66 HG23 THR 12 2HG2 THR 12 -8.683 2.579 4.106
67 H SER 13 H SER 13 -5.201 3.064 2.625
68 HA SER 13 HA SER 13 -3.254 2.050 0.813
69 HB2 SER 13 1HB SER 13 -2.774 2.287 3.768
70 HB3 SER 13 2HB SER 13 -1.663 2.599 2.435
71 HG SER 13 HG SER 13 -3.536 4.252 3.603
72 H GLU 14 H GLU 14 -4.569 -0.001 0.489
73 HA GLU 14 HA GLU 14 -4.124 -2.000 2.571
74 HB2 GLU 14 1HB GLU 14 -6.309 -2.147 1.726
75 HB3 GLU 14 2HB GLU 14 -5.778 -1.930 0.065
76 HG2 GLU 14 1HG GLU 14 -4.681 -4.157 0.190
77 HG3 GLU 14 2HG GLU 14 -5.402 -4.368 1.785
78 H CYS 15 H CYS 15 -2.915 -3.860 2.272
79 HA CYS 15 HA CYS 15 -0.759 -3.622 0.364
80 HB2 CYS 15 1HB CYS 15 -0.536 -4.397 2.792
81 HB3 CYS 15 2HB CYS 15 -1.227 -5.924 2.254
82 H GLN 16 H GLN 16 -1.092 -4.246 -1.666
83 HA GLN 16 HA GLN 16 -3.079 -6.122 -2.439
84 HB2 GLN 16 1HB GLN 16 -1.997 -5.946 -4.691
85 HB3 GLN 16 2HB GLN 16 -2.466 -4.404 -3.989
86 HG2 GLN 16 1HG GLN 16 -0.231 -3.861 -3.452
87 HG3 GLN 16 2HG GLN 16 0.321 -5.502 -3.786
88 HE21 GLN 16 1HE2 GLN 16 1.839 -4.832 -5.281
89 HE22 GLN 16 2HE2 GLN 16 1.406 -4.234 -6.843
90 H GLU 17 H GLU 17 0.130 -6.448 -1.325
91 HA GLU 17 HA GLU 17 0.854 -8.843 -2.652
92 HB2 GLU 17 1HB GLU 17 1.792 -7.585 -0.076
93 HB3 GLU 17 2HB GLU 17 2.480 -9.072 -0.714
94 HG2 GLU 17 1HG GLU 17 2.495 -6.368 -2.032
95 HG3 GLU 17 2HG GLU 17 3.870 -7.210 -1.320
96 H CYS 18 H CYS 18 -0.508 -8.229 0.577
97 HA CYS 18 HA CYS 18 -1.265 -11.074 0.705
98 HB2 CYS 18 1HB CYS 18 -1.323 -10.765 3.175
99 HB3 CYS 18 2HB CYS 18 0.275 -10.510 2.481
100 H GLY 19 H GLY 19 -2.335 -7.767 1.381
101 HA2 GLY 19 1HA GLY 19 -4.599 -7.168 0.691
102 HA3 GLY 19 2HA GLY 19 -5.115 -8.754 1.245
103 H LYS 20 H LYS 20 -2.985 -6.450 2.882
104 HA LYS 20 HA LYS 20 -4.858 -6.464 5.146
105 HB2 LYS 20 1HB LYS 20 -2.288 -7.104 5.241
106 HB3 LYS 20 2HB LYS 20 -2.093 -5.360 5.369
107 HG2 LYS 20 1HG LYS 20 -3.071 -5.260 7.433
108 HG3 LYS 20 2HG LYS 20 -4.044 -6.708 7.164
109 HD2 LYS 20 1HD LYS 20 -2.266 -8.138 7.631
110 HD3 LYS 20 2HD LYS 20 -1.058 -6.883 7.345
111 HE2 LYS 20 1HE LYS 20 -3.034 -6.653 9.588
112 HE3 LYS 20 2HE LYS 20 -1.556 -7.596 9.773
113 HZ1 LYS 20 3HZ LYS 20 -1.427 -5.224 10.520
114 HZ2 LYS 20 1HZ LYS 20 -1.561 -4.765 8.897
115 HZ3 LYS 20 2HZ LYS 20 -0.239 -5.688 9.408
116 H ILE 21 H ILE 21 -6.088 -4.735 5.429
117 HA ILE 21 HA ILE 21 -5.559 -2.286 4.002
118 HB ILE 21 HB ILE 21 -7.753 -2.977 5.960
119 HG12 ILE 21 1HG1 ILE 21 -9.034 -2.793 3.649
120 HG13 ILE 21 2HG1 ILE 21 -7.450 -3.192 2.995
121 HG21 ILE 21 1HG2 ILE 21 -8.362 -0.834 4.143
122 HG22 ILE 21 2HG2 ILE 21 -8.428 -0.863 5.904
123 HG23 ILE 21 3HG2 ILE 21 -6.920 -0.456 5.084
124 HD11 ILE 21 3HD1 ILE 21 -8.054 -4.966 5.146
125 HD12 ILE 21 1HD1 ILE 21 -9.400 -4.937 4.007
126 HD13 ILE 21 2HD1 ILE 21 -7.775 -5.329 3.443
127 H PHE 22 H PHE 22 -4.741 -0.433 4.783
128 HA PHE 22 HA PHE 22 -4.243 -0.257 7.680
129 HB2 PHE 22 1HB PHE 22 -2.385 0.573 5.442
130 HB3 PHE 22 2HB PHE 22 -2.113 0.912 7.148
131 HD1 PHE 22 HD1 PHE 22 -1.659 -0.937 8.718
132 HD2 PHE 22 HD2 PHE 22 -1.930 -1.562 4.517
133 HE1 PHE 22 HE1 PHE 22 -0.529 -3.108 8.971
134 HE2 PHE 22 HE2 PHE 22 -0.802 -3.735 4.763
135 HZ PHE 22 HZ PHE 22 -0.101 -4.511 6.993
136 H ARG 23 H ARG 23 -4.820 1.600 8.643
137 HA ARG 23 HA ARG 23 -6.586 3.383 7.596
138 HB2 ARG 23 1HB ARG 23 -5.750 3.132 10.018
139 HB3 ARG 23 2HB ARG 23 -4.503 4.288 9.570
140 HG2 ARG 23 1HG ARG 23 -6.049 5.719 10.409
141 HG3 ARG 23 2HG ARG 23 -6.593 5.671 8.731
142 HD2 ARG 23 1HD ARG 23 -8.305 4.088 9.261
143 HD3 ARG 23 2HD ARG 23 -7.674 3.874 10.893
144 HE ARG 23 HE ARG 23 -8.813 5.749 11.532
145 HH11 ARG 23 1HH1 ARG 23 -8.557 5.713 8.060
146 HH12 ARG 23 2HH1 ARG 23 -9.594 7.083 7.839
147 HH21 ARG 23 1HH2 ARG 23 -10.180 7.553 11.254
148 HH22 ARG 23 2HH2 ARG 23 -10.516 8.130 9.657
149 H HIS 24 H HIS 24 -3.198 4.338 8.164
150 HA HIS 24 HA HIS 24 -3.388 6.057 5.779
151 HB2 HIS 24 1HB HIS 24 -1.366 7.216 6.993
152 HB3 HIS 24 2HB HIS 24 -3.019 7.566 7.492
153 HD2 HIS 24 HD2 HIS 24 -3.803 6.134 9.905
154 HE1 HIS 24 HE1 HIS 24 0.219 5.639 11.161
155 HE2 HIS 24 HE2 HIS 24 -2.204 5.438 11.816
156 H SER 25 H SER 25 -1.728 6.066 4.288
157 HA SER 25 HA SER 25 -0.501 3.839 3.490
158 HB2 SER 25 1HB SER 25 0.738 6.601 3.426
159 HB3 SER 25 2HB SER 25 1.285 5.234 2.455
160 HG SER 25 HG SER 25 -0.426 5.419 1.201
161 H SER 26 H SER 26 1.063 6.150 5.708
162 HA SER 26 HA SER 26 3.452 5.087 6.214
163 HB2 SER 26 1HB SER 26 1.610 5.755 8.513
164 HB3 SER 26 2HB SER 26 3.363 5.936 8.445
165 HG SER 26 HG SER 26 2.852 7.907 7.887
166 H LEU 27 H LEU 27 0.669 4.010 8.170
167 HA LEU 27 HA LEU 27 1.737 1.894 9.465
168 HB2 LEU 27 1HB LEU 27 -0.974 2.311 8.280
169 HB3 LEU 27 2HB LEU 27 -0.587 0.781 9.066
170 HG LEU 27 HG LEU 27 -0.407 3.479 10.404
171 HD11 LEU 27 1HD1 LEU 27 -2.434 2.204 11.642
172 HD12 LEU 27 2HD1 LEU 27 -2.657 1.628 9.990
173 HD13 LEU 27 3HD1 LEU 27 -2.652 3.359 10.327
174 HD21 LEU 27 3HD2 LEU 27 0.795 1.109 11.091
175 HD22 LEU 27 1HD2 LEU 27 -0.699 1.075 12.029
176 HD23 LEU 27 2HD2 LEU 27 0.417 2.431 12.197
177 H LEU 28 H LEU 28 0.447 1.807 6.156
178 HA LEU 28 HA LEU 28 1.010 -0.935 5.718
179 HB2 LEU 28 1HB LEU 28 -0.592 0.001 4.303
180 HB3 LEU 28 2HB LEU 28 0.420 1.394 3.930
181 HG LEU 28 HG LEU 28 1.928 -0.198 2.670
182 HD11 LEU 28 1HD1 LEU 28 0.273 -2.195 1.894
183 HD12 LEU 28 2HD1 LEU 28 -0.149 -2.052 3.600
184 HD13 LEU 28 3HD1 LEU 28 1.523 -2.357 3.128
185 HD21 LEU 28 3HD2 LEU 28 0.730 1.101 1.230
186 HD22 LEU 28 1HD2 LEU 28 -0.825 0.608 1.901
187 HD23 LEU 28 2HD2 LEU 28 0.053 -0.476 0.822
188 H ILE 29 H ILE 29 2.825 2.030 5.163
189 HA ILE 29 HA ILE 29 4.882 1.070 3.571
190 HB ILE 29 HB ILE 29 5.068 3.138 5.765
191 HG12 ILE 29 1HG1 ILE 29 4.623 3.469 2.790
192 HG13 ILE 29 2HG1 ILE 29 3.368 3.607 4.017
193 HG21 ILE 29 1HG2 ILE 29 6.899 2.615 3.426
194 HG22 ILE 29 2HG2 ILE 29 7.030 3.963 4.555
195 HG23 ILE 29 3HG2 ILE 29 7.267 2.311 5.124
196 HD11 ILE 29 3HD1 ILE 29 5.483 5.329 4.758
197 HD12 ILE 29 1HD1 ILE 29 5.138 5.597 3.050
198 HD13 ILE 29 2HD1 ILE 29 3.849 5.748 4.244
199 H GLU 30 H GLU 30 4.618 1.061 7.112
200 HA GLU 30 HA GLU 30 7.153 -0.155 7.543
201 HB2 GLU 30 1HB GLU 30 4.723 0.264 9.263
202 HB3 GLU 30 2HB GLU 30 6.097 -0.665 9.844
203 HG2 GLU 30 1HG GLU 30 6.161 2.201 8.927
204 HG3 GLU 30 2HG GLU 30 6.204 1.641 10.598
205 H HIS 31 H HIS 31 3.893 -1.369 7.089
206 HA HIS 31 HA HIS 31 4.372 -4.034 7.899
207 HB2 HIS 31 1HB HIS 31 2.111 -3.483 7.784
208 HB3 HIS 31 2HB HIS 31 2.281 -2.692 6.220
209 HD1 HIS 31 HD1 HIS 31 1.816 -6.048 7.794
210 HD2 HIS 31 HD2 HIS 31 2.113 -4.387 3.998
211 HE1 HIS 31 HE1 HIS 31 1.098 -7.863 6.208
212 H GLN 32 H GLN 32 4.290 -2.544 4.665
213 HA GLN 32 HA GLN 32 4.820 -4.722 3.096
214 HB2 GLN 32 1HB GLN 32 5.823 -1.890 2.821
215 HB3 GLN 32 2HB GLN 32 6.025 -3.108 1.569
216 HG2 GLN 32 1HG GLN 32 3.532 -3.379 1.569
217 HG3 GLN 32 2HG GLN 32 3.453 -1.968 2.624
218 HE21 GLN 32 1HE2 GLN 32 2.163 -1.925 0.243
219 HE22 GLN 32 2HE2 GLN 32 2.957 -0.849 -0.850
220 H ALA 33 H ALA 33 7.137 -2.789 4.937
221 HA ALA 33 HA ALA 33 9.534 -3.742 4.033
222 HB1 ALA 33 3HB ALA 33 8.843 -2.130 6.046
223 HB2 ALA 33 1HB ALA 33 9.275 -3.566 6.975
224 HB3 ALA 33 2HB ALA 33 10.455 -2.828 5.891
225 H LEU 34 H LEU 34 7.348 -5.308 6.336
226 HA LEU 34 HA LEU 34 8.928 -7.430 7.138
227 HB2 LEU 34 1HB LEU 34 7.009 -8.420 7.930
228 HB3 LEU 34 2HB LEU 34 6.533 -6.726 7.829
229 HG LEU 34 HG LEU 34 5.550 -7.370 5.531
230 HD11 LEU 34 1HD1 LEU 34 6.693 -9.809 6.162
231 HD12 LEU 34 2HD1 LEU 34 5.509 -9.500 4.893
232 HD13 LEU 34 3HD1 LEU 34 4.974 -10.045 6.482
233 HD21 LEU 34 3HD2 LEU 34 4.255 -8.483 8.015
234 HD22 LEU 34 1HD2 LEU 34 3.451 -7.939 6.543
235 HD23 LEU 34 2HD2 LEU 34 4.274 -6.773 7.579
236 H HIS 35 H HIS 35 6.930 -7.122 4.234
237 HA HIS 35 HA HIS 35 7.232 -9.737 3.275
238 HB2 HIS 35 1HB HIS 35 6.720 -7.115 1.877
239 HB3 HIS 35 2HB HIS 35 6.792 -8.643 1.004
240 HD1 HIS 35 HD1 HIS 35 5.159 -10.506 2.640
241 HD2 HIS 35 HD2 HIS 35 4.104 -6.519 2.137
242 HE1 HIS 35 HE1 HIS 35 2.687 -10.402 3.094
243 H ALA 36 H ALA 36 8.975 -6.809 2.208
244 HA ALA 36 HA ALA 36 10.826 -8.011 0.557
245 HB1 ALA 36 3HB ALA 36 11.674 -5.954 0.380
246 HB2 ALA 36 1HB ALA 36 10.385 -5.460 1.478
247 HB3 ALA 36 2HB ALA 36 11.988 -5.839 2.111
248 H GLY 37 H GLY 37 11.749 -9.899 1.233
249 HA2 GLY 37 1HA GLY 37 13.743 -9.645 3.367
250 HA3 GLY 37 2HA GLY 37 12.556 -10.934 3.498
251 H GLU 38 H GLU 38 12.768 -12.761 2.265
252 HA GLU 38 HA GLU 38 15.353 -13.086 0.957
253 HB2 GLU 38 1HB GLU 38 13.228 -15.095 1.719
254 HB3 GLU 38 2HB GLU 38 14.751 -15.506 0.943
255 HG2 GLU 38 1HG GLU 38 16.002 -14.955 2.827
256 HG3 GLU 38 2HG GLU 38 14.692 -14.010 3.534
257 H SER 39 H SER 39 11.935 -13.805 0.246
258 HA SER 39 HA SER 39 12.061 -14.710 -2.300
259 HB2 SER 39 1HB SER 39 9.850 -13.736 -2.687
260 HB3 SER 39 2HB SER 39 9.954 -14.378 -1.047
261 HG SER 39 HG SER 39 9.232 -11.982 -1.707
262 H GLY 40 H GLY 40 13.461 -13.995 -3.796
263 HA2 GLY 40 1HA GLY 40 13.152 -11.214 -4.694
264 HA3 GLY 40 2HA GLY 40 14.764 -11.808 -4.323
265 HA PRO 41 HA PRO 41 15.233 -13.455 -8.353
266 HB2 PRO 41 1HB PRO 41 16.388 -15.876 -7.933
267 HB3 PRO 41 2HB PRO 41 17.242 -14.348 -7.686
268 HG2 PRO 41 1HG PRO 41 15.930 -16.132 -5.671
269 HG3 PRO 41 2HG PRO 41 17.492 -15.298 -5.578
270 HD2 PRO 41 1HD PRO 41 15.266 -14.360 -4.355
271 HD3 PRO 41 2HD PRO 41 16.527 -13.287 -4.996
272 H SER 42 H SER 42 13.377 -15.272 -6.065
273 HA SER 42 HA SER 42 12.389 -17.161 -8.025
274 HB2 SER 42 1HB SER 42 12.749 -17.548 -5.466
275 HB3 SER 42 2HB SER 42 11.170 -16.779 -5.308
276 HG SER 42 HG SER 42 10.316 -18.590 -5.905
277 H SER 43 H SER 43 10.974 -14.581 -6.015
278 HA SER 43 HA SER 43 8.616 -14.551 -7.741
279 HB2 SER 43 1HB SER 43 9.227 -13.322 -5.056
280 HB3 SER 43 2HB SER 43 7.797 -12.871 -5.984
281 HG SER 43 HG SER 43 7.090 -14.991 -5.875
282 H GLY 44 H GLY 44 10.936 -13.655 -8.978
283 HA2 GLY 44 1HA GLY 44 10.124 -11.201 -10.049
284 HA3 GLY 44 2HA GLY 44 11.343 -10.868 -8.828
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.226 -22.471 -0.828
2 HA2 GLY 1 1HA GLY 1 -9.938 -20.100 0.543
3 HA3 GLY 1 2HA GLY 1 -11.487 -20.751 0.031
4 H SER 2 H SER 2 -10.335 -19.345 2.539
5 HA SER 2 HA SER 2 -11.437 -21.252 4.499
6 HB2 SER 2 1HB SER 2 -10.068 -20.093 6.197
7 HB3 SER 2 2HB SER 2 -9.071 -20.767 4.908
8 HG SER 2 HG SER 2 -8.678 -18.779 4.146
9 H SER 3 H SER 3 -12.830 -20.468 6.108
10 HA SER 3 HA SER 3 -14.741 -18.624 5.319
11 HB2 SER 3 1HB SER 3 -14.033 -19.919 7.910
12 HB3 SER 3 2HB SER 3 -15.144 -18.550 7.954
13 HG SER 3 HG SER 3 -16.387 -19.708 6.340
14 H GLY 4 H GLY 4 -14.628 -16.499 5.069
15 HA2 GLY 4 1HA GLY 4 -13.940 -14.640 6.977
16 HA3 GLY 4 2HA GLY 4 -12.450 -14.961 6.101
17 H SER 5 H SER 5 -13.026 -12.494 5.872
18 HA SER 5 HA SER 5 -13.973 -12.185 3.146
19 HB2 SER 5 1HB SER 5 -15.565 -10.414 3.679
20 HB3 SER 5 2HB SER 5 -16.016 -11.896 4.522
21 HG SER 5 HG SER 5 -16.103 -10.447 6.105
22 H SER 6 H SER 6 -12.820 -10.696 2.075
23 HA SER 6 HA SER 6 -10.753 -9.268 3.527
24 HB2 SER 6 1HB SER 6 -10.388 -10.525 1.331
25 HB3 SER 6 2HB SER 6 -11.233 -9.190 0.547
26 HG SER 6 HG SER 6 -9.620 -7.825 1.106
27 H GLY 7 H GLY 7 -10.667 -7.118 3.876
28 HA2 GLY 7 1HA GLY 7 -13.054 -5.581 3.576
29 HA3 GLY 7 2HA GLY 7 -11.513 -4.999 4.189
30 H ALA 8 H ALA 8 -13.617 -5.189 1.479
31 HA ALA 8 HA ALA 8 -11.801 -4.459 -0.562
32 HB1 ALA 8 3HB ALA 8 -13.583 -4.592 -1.910
33 HB2 ALA 8 1HB ALA 8 -14.426 -5.208 -0.489
34 HB3 ALA 8 2HB ALA 8 -14.540 -3.499 -0.911
35 H ALA 9 H ALA 9 -10.515 -2.775 0.268
36 HA ALA 9 HA ALA 9 -11.850 -0.154 0.243
37 HB1 ALA 9 3HB ALA 9 -9.944 -1.225 2.290
38 HB2 ALA 9 1HB ALA 9 -10.082 0.508 1.996
39 HB3 ALA 9 2HB ALA 9 -11.491 -0.412 2.525
40 H LYS 10 H LYS 10 -11.136 0.042 -1.934
41 HA LYS 10 HA LYS 10 -8.389 -0.160 -2.657
42 HB2 LYS 10 1HB LYS 10 -9.057 0.749 -4.784
43 HB3 LYS 10 2HB LYS 10 -10.281 -0.398 -4.259
44 HG2 LYS 10 1HG LYS 10 -11.631 1.287 -4.950
45 HG3 LYS 10 2HG LYS 10 -11.392 1.793 -3.275
46 HD2 LYS 10 1HD LYS 10 -10.969 3.752 -4.419
47 HD3 LYS 10 2HD LYS 10 -9.344 3.082 -4.253
48 HE2 LYS 10 1HE LYS 10 -9.433 2.210 -6.504
49 HE3 LYS 10 2HE LYS 10 -11.109 2.731 -6.674
50 HZ1 LYS 10 3HZ LYS 10 -10.272 5.045 -6.303
51 HZ2 LYS 10 1HZ LYS 10 -9.773 4.330 -7.753
52 HZ3 LYS 10 2HZ LYS 10 -8.699 4.441 -6.451
53 H THR 11 H THR 11 -10.492 2.486 -1.670
54 HA THR 11 HA THR 11 -8.660 4.578 -2.239
55 HB THR 11 HB THR 11 -11.057 5.015 -1.970
56 HG1 THR 11 HG1 THR 11 -9.652 6.749 -1.559
57 HG21 THR 11 3HG2 THR 11 -10.918 4.891 0.982
58 HG22 THR 11 1HG2 THR 11 -11.013 3.347 0.136
59 HG23 THR 11 2HG2 THR 11 -12.268 4.563 -0.104
60 H THR 12 H THR 12 -8.931 2.310 0.333
61 HA THR 12 HA THR 12 -7.370 3.884 2.201
62 HB THR 12 HB THR 12 -8.170 0.979 2.440
63 HG1 THR 12 HG1 THR 12 -9.529 3.054 3.761
64 HG21 THR 12 3HG2 THR 12 -7.296 3.037 4.469
65 HG22 THR 12 1HG2 THR 12 -6.407 1.598 3.974
66 HG23 THR 12 2HG2 THR 12 -7.918 1.436 4.868
67 H SER 13 H SER 13 -5.362 3.062 3.127
68 HA SER 13 HA SER 13 -3.538 2.252 1.068
69 HB2 SER 13 1HB SER 13 -2.903 2.471 4.010
70 HB3 SER 13 2HB SER 13 -1.808 2.671 2.642
71 HG SER 13 HG SER 13 -3.527 4.458 2.164
72 H GLU 14 H GLU 14 -5.010 0.193 0.916
73 HA GLU 14 HA GLU 14 -4.322 -1.873 2.826
74 HB2 GLU 14 1HB GLU 14 -6.547 -2.000 2.037
75 HB3 GLU 14 2HB GLU 14 -6.050 -1.799 0.363
76 HG2 GLU 14 1HG GLU 14 -4.959 -4.012 0.459
77 HG3 GLU 14 2HG GLU 14 -5.579 -4.212 2.097
78 H CYS 15 H CYS 15 -3.110 -3.715 2.395
79 HA CYS 15 HA CYS 15 -1.045 -3.355 0.395
80 HB2 CYS 15 1HB CYS 15 -0.628 -4.133 2.780
81 HB3 CYS 15 2HB CYS 15 -1.341 -5.671 2.307
82 H GLN 16 H GLN 16 -1.545 -3.930 -1.624
83 HA GLN 16 HA GLN 16 -3.485 -5.865 -2.313
84 HB2 GLN 16 1HB GLN 16 -2.522 -5.652 -4.613
85 HB3 GLN 16 2HB GLN 16 -2.976 -4.122 -3.875
86 HG2 GLN 16 1HG GLN 16 -0.727 -3.546 -3.453
87 HG3 GLN 16 2HG GLN 16 -0.167 -5.178 -3.815
88 HE21 GLN 16 1HE2 GLN 16 1.305 -4.233 -5.305
89 HE22 GLN 16 2HE2 GLN 16 0.774 -3.739 -6.873
90 H GLU 17 H GLU 17 -0.248 -6.151 -1.311
91 HA GLU 17 HA GLU 17 0.507 -8.492 -2.706
92 HB2 GLU 17 1HB GLU 17 1.445 -7.497 -0.010
93 HB3 GLU 17 2HB GLU 17 2.248 -8.718 -0.987
94 HG2 GLU 17 1HG GLU 17 1.806 -5.867 -1.840
95 HG3 GLU 17 2HG GLU 17 3.294 -6.485 -1.126
96 H CYS 18 H CYS 18 -0.792 -8.022 0.576
97 HA CYS 18 HA CYS 18 -1.544 -10.872 0.589
98 HB2 CYS 18 1HB CYS 18 -1.527 -10.655 3.089
99 HB3 CYS 18 2HB CYS 18 0.051 -10.459 2.334
100 H GLY 19 H GLY 19 -2.577 -7.591 1.367
101 HA2 GLY 19 1HA GLY 19 -4.864 -6.967 0.831
102 HA3 GLY 19 2HA GLY 19 -5.361 -8.570 1.350
103 H LYS 20 H LYS 20 -3.152 -6.337 2.979
104 HA LYS 20 HA LYS 20 -4.934 -6.418 5.314
105 HB2 LYS 20 1HB LYS 20 -2.399 -7.117 5.322
106 HB3 LYS 20 2HB LYS 20 -2.128 -5.382 5.428
107 HG2 LYS 20 1HG LYS 20 -3.064 -5.225 7.525
108 HG3 LYS 20 2HG LYS 20 -4.022 -6.694 7.323
109 HD2 LYS 20 1HD LYS 20 -2.261 -8.075 7.840
110 HD3 LYS 20 2HD LYS 20 -1.049 -6.909 7.301
111 HE2 LYS 20 1HE LYS 20 -0.785 -6.811 9.585
112 HE3 LYS 20 2HE LYS 20 -1.932 -5.500 9.315
113 HZ1 LYS 20 3HZ LYS 20 -3.435 -7.798 9.660
114 HZ2 LYS 20 1HZ LYS 20 -3.277 -6.503 10.738
115 HZ3 LYS 20 2HZ LYS 20 -2.249 -7.840 10.866
116 H ILE 21 H ILE 21 -6.199 -4.708 5.563
117 HA ILE 21 HA ILE 21 -5.687 -2.216 4.247
118 HB ILE 21 HB ILE 21 -7.776 -2.899 6.320
119 HG12 ILE 21 1HG1 ILE 21 -9.217 -2.803 4.137
120 HG13 ILE 21 2HG1 ILE 21 -7.683 -3.104 3.328
121 HG21 ILE 21 1HG2 ILE 21 -8.815 -0.877 5.889
122 HG22 ILE 21 2HG2 ILE 21 -7.108 -0.434 5.870
123 HG23 ILE 21 3HG2 ILE 21 -7.979 -0.657 4.352
124 HD11 ILE 21 3HD1 ILE 21 -7.725 -5.257 3.861
125 HD12 ILE 21 1HD1 ILE 21 -8.128 -4.916 5.543
126 HD13 ILE 21 2HD1 ILE 21 -9.406 -5.000 4.329
127 H PHE 22 H PHE 22 -4.942 -0.325 5.069
128 HA PHE 22 HA PHE 22 -4.246 -0.255 7.927
129 HB2 PHE 22 1HB PHE 22 -2.505 0.620 5.613
130 HB3 PHE 22 2HB PHE 22 -2.150 0.948 7.306
131 HD1 PHE 22 HD1 PHE 22 -1.633 -0.923 8.842
132 HD2 PHE 22 HD2 PHE 22 -2.064 -1.494 4.646
133 HE1 PHE 22 HE1 PHE 22 -0.484 -3.091 9.023
134 HE2 PHE 22 HE2 PHE 22 -0.916 -3.663 4.820
135 HZ PHE 22 HZ PHE 22 -0.125 -4.465 7.010
136 H ARG 23 H ARG 23 -4.553 1.668 8.962
137 HA ARG 23 HA ARG 23 -6.443 3.459 8.056
138 HB2 ARG 23 1HB ARG 23 -5.459 3.118 10.426
139 HB3 ARG 23 2HB ARG 23 -4.268 4.318 9.943
140 HG2 ARG 23 1HG ARG 23 -5.825 5.640 10.966
141 HG3 ARG 23 2HG ARG 23 -6.380 5.716 9.293
142 HD2 ARG 23 1HD ARG 23 -8.193 4.354 9.691
143 HD3 ARG 23 2HD ARG 23 -7.434 3.574 11.078
144 HE ARG 23 HE ARG 23 -8.279 5.221 12.429
145 HH11 ARG 23 1HH1 ARG 23 -8.543 6.210 9.102
146 HH12 ARG 23 2HH1 ARG 23 -9.509 7.604 9.457
147 HH21 ARG 23 1HH2 ARG 23 -9.550 7.053 12.910
148 HH22 ARG 23 2HH2 ARG 23 -10.081 8.083 11.623
149 H HIS 24 H HIS 24 -3.026 4.374 8.498
150 HA HIS 24 HA HIS 24 -3.308 6.161 6.174
151 HB2 HIS 24 1HB HIS 24 -1.269 7.318 7.283
152 HB3 HIS 24 2HB HIS 24 -2.866 7.570 7.982
153 HD2 HIS 24 HD2 HIS 24 -3.294 6.260 10.467
154 HE1 HIS 24 HE1 HIS 24 0.805 5.352 11.075
155 HE2 HIS 24 HE2 HIS 24 -1.497 5.365 12.098
156 H SER 25 H SER 25 -1.746 6.175 4.590
157 HA SER 25 HA SER 25 -0.576 3.961 3.681
158 HB2 SER 25 1HB SER 25 0.347 6.810 3.539
159 HB3 SER 25 2HB SER 25 1.342 5.539 2.827
160 HG SER 25 HG SER 25 -1.375 5.514 2.223
161 H SER 26 H SER 26 1.102 6.206 5.882
162 HA SER 26 HA SER 26 3.515 5.113 6.226
163 HB2 SER 26 1HB SER 26 1.928 5.662 8.716
164 HB3 SER 26 2HB SER 26 3.610 6.055 8.362
165 HG SER 26 HG SER 26 1.295 7.435 7.743
166 H LEU 27 H LEU 27 0.695 3.959 8.086
167 HA LEU 27 HA LEU 27 1.829 1.831 9.379
168 HB2 LEU 27 1HB LEU 27 -0.906 2.338 8.308
169 HB3 LEU 27 2HB LEU 27 -0.530 0.747 8.967
170 HG LEU 27 HG LEU 27 -0.162 3.300 10.523
171 HD11 LEU 27 1HD1 LEU 27 -2.281 2.744 11.633
172 HD12 LEU 27 2HD1 LEU 27 -2.538 1.445 10.468
173 HD13 LEU 27 3HD1 LEU 27 -2.502 3.122 9.924
174 HD21 LEU 27 3HD2 LEU 27 -0.272 1.712 12.438
175 HD22 LEU 27 1HD2 LEU 27 1.124 1.472 11.387
176 HD23 LEU 27 2HD2 LEU 27 -0.259 0.383 11.278
177 H LEU 28 H LEU 28 0.409 1.808 6.119
178 HA LEU 28 HA LEU 28 0.951 -0.916 5.596
179 HB2 LEU 28 1HB LEU 28 -0.679 0.072 4.249
180 HB3 LEU 28 2HB LEU 28 0.342 1.460 3.876
181 HG LEU 28 HG LEU 28 1.753 0.005 2.465
182 HD11 LEU 28 1HD1 LEU 28 -0.241 -2.135 2.333
183 HD12 LEU 28 2HD1 LEU 28 0.658 -2.066 3.848
184 HD13 LEU 28 3HD1 LEU 28 1.520 -2.217 2.318
185 HD21 LEU 28 3HD2 LEU 28 0.435 0.340 0.665
186 HD22 LEU 28 1HD2 LEU 28 -0.584 1.184 1.832
187 HD23 LEU 28 2HD2 LEU 28 -0.948 -0.484 1.387
188 H ILE 29 H ILE 29 2.779 2.044 5.055
189 HA ILE 29 HA ILE 29 4.790 1.065 3.400
190 HB ILE 29 HB ILE 29 4.994 3.173 5.552
191 HG12 ILE 29 1HG1 ILE 29 4.470 3.344 2.578
192 HG13 ILE 29 2HG1 ILE 29 3.330 3.718 3.866
193 HG21 ILE 29 1HG2 ILE 29 7.026 3.889 4.595
194 HG22 ILE 29 2HG2 ILE 29 7.171 2.141 4.772
195 HG23 ILE 29 3HG2 ILE 29 6.823 2.841 3.191
196 HD11 ILE 29 3HD1 ILE 29 4.443 5.669 2.697
197 HD12 ILE 29 1HD1 ILE 29 4.481 5.669 4.460
198 HD13 ILE 29 2HD1 ILE 29 5.915 5.200 3.546
199 H GLU 30 H GLU 30 4.606 1.099 6.946
200 HA GLU 30 HA GLU 30 7.150 -0.117 7.330
201 HB2 GLU 30 1HB GLU 30 4.767 0.332 9.108
202 HB3 GLU 30 2HB GLU 30 6.160 -0.584 9.665
203 HG2 GLU 30 1HG GLU 30 6.191 2.266 8.699
204 HG3 GLU 30 2HG GLU 30 6.279 1.735 10.377
205 H HIS 31 H HIS 31 3.891 -1.321 6.917
206 HA HIS 31 HA HIS 31 4.384 -3.980 7.771
207 HB2 HIS 31 1HB HIS 31 2.124 -3.509 7.728
208 HB3 HIS 31 2HB HIS 31 2.232 -2.607 6.219
209 HD1 HIS 31 HD1 HIS 31 1.868 -6.078 7.563
210 HD2 HIS 31 HD2 HIS 31 1.970 -4.135 3.893
211 HE1 HIS 31 HE1 HIS 31 1.097 -7.780 5.880
212 H GLN 32 H GLN 32 4.288 -2.475 4.551
213 HA GLN 32 HA GLN 32 4.722 -4.673 2.964
214 HB2 GLN 32 1HB GLN 32 5.770 -1.858 2.670
215 HB3 GLN 32 2HB GLN 32 5.925 -3.078 1.413
216 HG2 GLN 32 1HG GLN 32 3.366 -3.303 1.633
217 HG3 GLN 32 2HG GLN 32 3.461 -1.743 2.448
218 HE21 GLN 32 1HE2 GLN 32 2.032 -2.008 0.143
219 HE22 GLN 32 2HE2 GLN 32 2.827 -1.169 -1.142
220 H ALA 33 H ALA 33 7.147 -2.730 4.669
221 HA ALA 33 HA ALA 33 9.487 -3.766 3.732
222 HB1 ALA 33 3HB ALA 33 9.472 -3.576 6.650
223 HB2 ALA 33 1HB ALA 33 10.435 -2.703 5.458
224 HB3 ALA 33 2HB ALA 33 8.798 -2.166 5.834
225 H LEU 34 H LEU 34 7.273 -5.268 6.032
226 HA LEU 34 HA LEU 34 8.850 -7.397 6.875
227 HB2 LEU 34 1HB LEU 34 6.943 -8.299 7.760
228 HB3 LEU 34 2HB LEU 34 6.462 -6.614 7.573
229 HG LEU 34 HG LEU 34 5.430 -7.365 5.342
230 HD11 LEU 34 1HD1 LEU 34 4.707 -9.940 6.046
231 HD12 LEU 34 2HD1 LEU 34 6.439 -9.878 6.371
232 HD13 LEU 34 3HD1 LEU 34 5.828 -9.476 4.766
233 HD21 LEU 34 3HD2 LEU 34 4.215 -8.416 7.893
234 HD22 LEU 34 1HD2 LEU 34 3.365 -7.946 6.421
235 HD23 LEU 34 2HD2 LEU 34 4.186 -6.724 7.393
236 H HIS 35 H HIS 35 6.784 -7.102 4.017
237 HA HIS 35 HA HIS 35 6.983 -9.728 3.091
238 HB2 HIS 35 1HB HIS 35 6.555 -7.104 1.677
239 HB3 HIS 35 2HB HIS 35 6.599 -8.629 0.797
240 HD1 HIS 35 HD1 HIS 35 4.929 -10.453 2.476
241 HD2 HIS 35 HD2 HIS 35 3.938 -6.466 1.861
242 HE1 HIS 35 HE1 HIS 35 2.455 -10.302 2.900
243 H ALA 36 H ALA 36 8.874 -6.896 2.022
244 HA ALA 36 HA ALA 36 10.667 -8.283 0.398
245 HB1 ALA 36 3HB ALA 36 10.318 -5.628 1.265
246 HB2 ALA 36 1HB ALA 36 11.990 -6.062 1.621
247 HB3 ALA 36 2HB ALA 36 11.368 -6.220 -0.022
248 H GLY 37 H GLY 37 11.089 -7.230 3.783
249 HA2 GLY 37 1HA GLY 37 12.082 -9.266 5.076
250 HA3 GLY 37 2HA GLY 37 13.432 -8.986 3.985
251 H GLU 38 H GLU 38 12.429 -8.464 7.028
252 HA GLU 38 HA GLU 38 13.297 -5.736 7.366
253 HB2 GLU 38 1HB GLU 38 11.546 -7.045 8.763
254 HB3 GLU 38 2HB GLU 38 12.941 -7.701 9.608
255 HG2 GLU 38 1HG GLU 38 12.348 -4.765 9.327
256 HG3 GLU 38 2HG GLU 38 11.914 -5.747 10.725
257 H SER 39 H SER 39 14.485 -8.866 8.600
258 HA SER 39 HA SER 39 16.988 -7.749 9.423
259 HB2 SER 39 1HB SER 39 15.806 -9.783 10.432
260 HB3 SER 39 2HB SER 39 16.416 -10.688 9.047
261 HG SER 39 HG SER 39 17.738 -10.625 11.060
262 H GLY 40 H GLY 40 16.019 -9.976 6.816
263 HA2 GLY 40 1HA GLY 40 17.925 -8.869 5.002
264 HA3 GLY 40 2HA GLY 40 18.474 -10.412 5.638
265 HA PRO 41 HA PRO 41 16.053 -12.636 2.747
266 HB2 PRO 41 1HB PRO 41 14.927 -14.623 4.216
267 HB3 PRO 41 2HB PRO 41 16.650 -14.576 3.823
268 HG2 PRO 41 1HG PRO 41 15.260 -13.760 6.345
269 HG3 PRO 41 2HG PRO 41 16.766 -14.674 6.143
270 HD2 PRO 41 1HD PRO 41 16.734 -12.034 6.743
271 HD3 PRO 41 2HD PRO 41 18.015 -12.775 5.763
272 H SER 42 H SER 42 13.796 -13.625 2.365
273 HA SER 42 HA SER 42 11.775 -11.799 3.492
274 HB2 SER 42 1HB SER 42 10.646 -11.773 1.400
275 HB3 SER 42 2HB SER 42 12.354 -11.553 1.020
276 HG SER 42 HG SER 42 12.444 -13.792 0.535
277 H SER 43 H SER 43 9.680 -12.623 3.881
278 HA SER 43 HA SER 43 9.530 -15.562 4.031
279 HB2 SER 43 1HB SER 43 8.511 -13.544 6.045
280 HB3 SER 43 2HB SER 43 8.191 -15.277 6.111
281 HG SER 43 HG SER 43 10.461 -15.597 6.259
282 H GLY 44 H GLY 44 7.610 -16.523 3.475
283 HA2 GLY 44 1HA GLY 44 5.957 -15.273 1.619
284 HA3 GLY 44 2HA GLY 44 5.554 -16.749 2.482
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -20.122 -9.869 10.588
2 HA2 GLY 1 1HA GLY 1 -21.520 -12.289 9.691
3 HA3 GLY 1 2HA GLY 1 -21.458 -10.910 8.604
4 H SER 2 H SER 2 -20.443 -13.173 7.649
5 HA SER 2 HA SER 2 -17.881 -13.964 8.164
6 HB2 SER 2 1HB SER 2 -17.726 -14.669 5.846
7 HB3 SER 2 2HB SER 2 -19.369 -14.946 6.422
8 HG SER 2 HG SER 2 -18.674 -13.606 4.305
9 H SER 3 H SER 3 -18.877 -11.198 6.177
10 HA SER 3 HA SER 3 -16.578 -10.310 5.094
11 HB2 SER 3 1HB SER 3 -18.702 -9.099 4.890
12 HB3 SER 3 2HB SER 3 -18.575 -8.573 6.569
13 HG SER 3 HG SER 3 -16.546 -8.007 4.691
14 H GLY 4 H GLY 4 -14.626 -9.636 5.733
15 HA2 GLY 4 1HA GLY 4 -14.271 -8.942 8.582
16 HA3 GLY 4 2HA GLY 4 -13.146 -10.001 7.744
17 H SER 5 H SER 5 -12.836 -8.701 5.340
18 HA SER 5 HA SER 5 -11.204 -6.450 6.173
19 HB2 SER 5 1HB SER 5 -11.455 -8.034 3.626
20 HB3 SER 5 2HB SER 5 -10.567 -6.510 3.663
21 HG SER 5 HG SER 5 -9.048 -7.969 4.150
22 H SER 6 H SER 6 -11.661 -4.364 5.844
23 HA SER 6 HA SER 6 -14.032 -3.719 4.216
24 HB2 SER 6 1HB SER 6 -13.095 -2.703 6.862
25 HB3 SER 6 2HB SER 6 -13.934 -1.581 5.791
26 HG SER 6 HG SER 6 -15.067 -4.100 6.164
27 H GLY 7 H GLY 7 -13.725 -2.443 2.511
28 HA2 GLY 7 1HA GLY 7 -12.502 -0.156 2.088
29 HA3 GLY 7 2HA GLY 7 -11.094 -1.206 2.160
30 H ALA 8 H ALA 8 -14.315 -1.390 0.635
31 HA ALA 8 HA ALA 8 -13.009 -2.348 -1.812
32 HB1 ALA 8 3HB ALA 8 -15.652 -2.666 -2.296
33 HB2 ALA 8 1HB ALA 8 -14.624 -3.890 -1.549
34 HB3 ALA 8 2HB ALA 8 -15.614 -2.833 -0.541
35 H ALA 9 H ALA 9 -15.526 -0.064 -0.755
36 HA ALA 9 HA ALA 9 -15.682 1.200 -3.327
37 HB1 ALA 9 3HB ALA 9 -17.221 2.745 -2.264
38 HB2 ALA 9 1HB ALA 9 -17.615 1.085 -1.816
39 HB3 ALA 9 2HB ALA 9 -16.771 2.130 -0.673
40 H LYS 10 H LYS 10 -14.694 2.438 -0.126
41 HA LYS 10 HA LYS 10 -13.397 4.721 -1.262
42 HB2 LYS 10 1HB LYS 10 -13.322 3.570 1.532
43 HB3 LYS 10 2HB LYS 10 -12.606 5.109 1.072
44 HG2 LYS 10 1HG LYS 10 -14.809 5.954 0.448
45 HG3 LYS 10 2HG LYS 10 -15.530 4.406 0.897
46 HD2 LYS 10 1HD LYS 10 -15.889 5.564 2.832
47 HD3 LYS 10 2HD LYS 10 -14.288 4.907 3.182
48 HE2 LYS 10 1HE LYS 10 -14.653 7.591 1.885
49 HE3 LYS 10 2HE LYS 10 -14.686 7.395 3.637
50 HZ1 LYS 10 3HZ LYS 10 -12.441 6.970 1.774
51 HZ2 LYS 10 1HZ LYS 10 -12.460 6.197 3.280
52 HZ3 LYS 10 2HZ LYS 10 -12.486 7.886 3.196
53 H THR 11 H THR 11 -11.197 5.168 -1.397
54 HA THR 11 HA THR 11 -9.522 2.850 -1.827
55 HB THR 11 HB THR 11 -9.422 4.689 -3.433
56 HG1 THR 11 HG1 THR 11 -7.432 3.422 -2.531
57 HG21 THR 11 3HG2 THR 11 -9.405 6.303 -1.114
58 HG22 THR 11 1HG2 THR 11 -9.402 6.824 -2.798
59 HG23 THR 11 2HG2 THR 11 -7.876 6.582 -1.947
60 H THR 12 H THR 12 -8.036 2.073 -0.473
61 HA THR 12 HA THR 12 -7.016 3.782 1.680
62 HB THR 12 HB THR 12 -7.733 0.942 2.316
63 HG1 THR 12 HG1 THR 12 -9.783 1.427 2.230
64 HG21 THR 12 3HG2 THR 12 -6.860 3.348 3.744
65 HG22 THR 12 1HG2 THR 12 -6.679 1.648 4.174
66 HG23 THR 12 2HG2 THR 12 -8.190 2.490 4.522
67 H SER 13 H SER 13 -5.013 3.067 2.595
68 HA SER 13 HA SER 13 -3.231 1.987 0.667
69 HB2 SER 13 1HB SER 13 -2.526 2.184 3.577
70 HB3 SER 13 2HB SER 13 -1.521 2.506 2.163
71 HG SER 13 HG SER 13 -2.056 4.509 2.448
72 H GLU 14 H GLU 14 -4.396 -0.054 0.304
73 HA GLU 14 HA GLU 14 -4.063 -2.061 2.401
74 HB2 GLU 14 1HB GLU 14 -6.208 -2.172 1.425
75 HB3 GLU 14 2HB GLU 14 -5.567 -2.009 -0.204
76 HG2 GLU 14 1HG GLU 14 -4.549 -4.239 -0.002
77 HG3 GLU 14 2HG GLU 14 -5.269 -4.401 1.599
78 H CYS 15 H CYS 15 -2.860 -3.939 2.139
79 HA CYS 15 HA CYS 15 -0.625 -3.692 0.309
80 HB2 CYS 15 1HB CYS 15 -0.461 -4.390 2.768
81 HB3 CYS 15 2HB CYS 15 -1.101 -5.947 2.252
82 H GLN 16 H GLN 16 -0.907 -4.378 -1.711
83 HA GLN 16 HA GLN 16 -2.845 -6.288 -2.493
84 HB2 GLN 16 1HB GLN 16 -1.737 -6.183 -4.703
85 HB3 GLN 16 2HB GLN 16 -2.093 -4.591 -4.046
86 HG2 GLN 16 1HG GLN 16 0.021 -4.221 -4.765
87 HG3 GLN 16 2HG GLN 16 0.379 -4.808 -3.142
88 HE21 GLN 16 1HE2 GLN 16 2.410 -5.544 -3.699
89 HE22 GLN 16 2HE2 GLN 16 2.657 -6.936 -4.692
90 H GLU 17 H GLU 17 0.347 -6.573 -1.280
91 HA GLU 17 HA GLU 17 1.114 -9.016 -2.460
92 HB2 GLU 17 1HB GLU 17 1.900 -7.702 0.140
93 HB3 GLU 17 2HB GLU 17 2.626 -9.197 -0.433
94 HG2 GLU 17 1HG GLU 17 2.612 -6.693 -2.084
95 HG3 GLU 17 2HG GLU 17 3.875 -7.041 -0.903
96 H CYS 18 H CYS 18 -0.342 -8.341 0.723
97 HA CYS 18 HA CYS 18 -1.166 -11.166 0.847
98 HB2 CYS 18 1HB CYS 18 -1.317 -10.823 3.307
99 HB3 CYS 18 2HB CYS 18 0.310 -10.590 2.676
100 H GLY 19 H GLY 19 -2.217 -7.833 1.373
101 HA2 GLY 19 1HA GLY 19 -4.442 -7.219 0.599
102 HA3 GLY 19 2HA GLY 19 -5.002 -8.787 1.160
103 H LYS 20 H LYS 20 -2.907 -6.492 2.850
104 HA LYS 20 HA LYS 20 -4.875 -6.435 5.029
105 HB2 LYS 20 1HB LYS 20 -2.398 -7.165 5.333
106 HB3 LYS 20 2HB LYS 20 -2.050 -5.443 5.263
107 HG2 LYS 20 1HG LYS 20 -3.117 -5.007 7.256
108 HG3 LYS 20 2HG LYS 20 -4.128 -6.450 7.151
109 HD2 LYS 20 1HD LYS 20 -2.370 -7.863 7.798
110 HD3 LYS 20 2HD LYS 20 -1.147 -6.633 7.469
111 HE2 LYS 20 1HE LYS 20 -1.300 -6.648 9.794
112 HE3 LYS 20 2HE LYS 20 -2.307 -5.281 9.321
113 HZ1 LYS 20 3HZ LYS 20 -3.080 -7.272 10.962
114 HZ2 LYS 20 1HZ LYS 20 -3.726 -7.783 9.484
115 HZ3 LYS 20 2HZ LYS 20 -4.136 -6.265 10.106
116 H ILE 21 H ILE 21 -6.033 -4.658 5.349
117 HA ILE 21 HA ILE 21 -5.443 -2.253 3.855
118 HB ILE 21 HB ILE 21 -7.694 -2.890 5.765
119 HG12 ILE 21 1HG1 ILE 21 -8.910 -2.653 3.419
120 HG13 ILE 21 2HG1 ILE 21 -7.319 -3.096 2.809
121 HG21 ILE 21 1HG2 ILE 21 -7.199 -0.487 5.695
122 HG22 ILE 21 2HG2 ILE 21 -7.366 -0.513 3.940
123 HG23 ILE 21 3HG2 ILE 21 -8.759 -0.861 4.963
124 HD11 ILE 21 3HD1 ILE 21 -8.875 -5.003 3.092
125 HD12 ILE 21 1HD1 ILE 21 -7.370 -5.165 3.998
126 HD13 ILE 21 2HD1 ILE 21 -8.856 -4.704 4.830
127 H PHE 22 H PHE 22 -4.676 -0.365 4.633
128 HA PHE 22 HA PHE 22 -4.221 -0.154 7.533
129 HB2 PHE 22 1HB PHE 22 -2.279 0.612 5.343
130 HB3 PHE 22 2HB PHE 22 -2.047 0.933 7.058
131 HD1 PHE 22 HD1 PHE 22 -1.644 -0.918 8.622
132 HD2 PHE 22 HD2 PHE 22 -1.901 -1.549 4.420
133 HE1 PHE 22 HE1 PHE 22 -0.582 -3.121 8.891
134 HE2 PHE 22 HE2 PHE 22 -0.840 -3.753 4.683
135 HZ PHE 22 HZ PHE 22 -0.179 -4.542 6.921
136 H ARG 23 H ARG 23 -4.901 1.690 8.423
137 HA ARG 23 HA ARG 23 -6.546 3.501 7.264
138 HB2 ARG 23 1HB ARG 23 -5.919 3.291 9.720
139 HB3 ARG 23 2HB ARG 23 -4.542 4.325 9.362
140 HG2 ARG 23 1HG ARG 23 -6.331 5.643 10.281
141 HG3 ARG 23 2HG ARG 23 -6.091 6.076 8.588
142 HD2 ARG 23 1HD ARG 23 -8.033 4.962 7.909
143 HD3 ARG 23 2HD ARG 23 -8.127 4.031 9.403
144 HE ARG 23 HE ARG 23 -9.134 6.685 8.947
145 HH11 ARG 23 1HH1 ARG 23 -8.043 4.403 11.338
146 HH12 ARG 23 2HH1 ARG 23 -8.920 5.145 12.635
147 HH21 ARG 23 1HH2 ARG 23 -10.294 7.670 10.646
148 HH22 ARG 23 2HH2 ARG 23 -10.201 7.002 12.240
149 H HIS 24 H HIS 24 -3.195 4.444 8.026
150 HA HIS 24 HA HIS 24 -3.230 6.147 5.626
151 HB2 HIS 24 1HB HIS 24 -1.226 7.246 6.901
152 HB3 HIS 24 2HB HIS 24 -2.879 7.618 7.383
153 HD2 HIS 24 HD2 HIS 24 -3.718 6.224 9.781
154 HE1 HIS 24 HE1 HIS 24 0.270 5.525 11.049
155 HE2 HIS 24 HE2 HIS 24 -2.164 5.434 11.692
156 H SER 25 H SER 25 -1.524 6.108 4.189
157 HA SER 25 HA SER 25 -0.340 3.832 3.436
158 HB2 SER 25 1HB SER 25 1.514 5.191 2.446
159 HB3 SER 25 2HB SER 25 -0.090 5.843 2.116
160 HG SER 25 HG SER 25 0.256 7.306 3.861
161 H SER 26 H SER 26 1.186 6.125 5.695
162 HA SER 26 HA SER 26 3.555 5.048 6.263
163 HB2 SER 26 1HB SER 26 1.622 5.739 8.484
164 HB3 SER 26 2HB SER 26 3.382 5.850 8.523
165 HG SER 26 HG SER 26 1.565 7.430 7.034
166 H LEU 27 H LEU 27 0.720 3.976 8.145
167 HA LEU 27 HA LEU 27 1.747 1.841 9.445
168 HB2 LEU 27 1HB LEU 27 -0.939 2.279 8.208
169 HB3 LEU 27 2HB LEU 27 -0.575 0.752 9.009
170 HG LEU 27 HG LEU 27 -0.343 3.432 10.366
171 HD11 LEU 27 1HD1 LEU 27 -2.692 2.517 9.482
172 HD12 LEU 27 2HD1 LEU 27 -2.509 3.375 11.012
173 HD13 LEU 27 3HD1 LEU 27 -2.586 1.613 10.993
174 HD21 LEU 27 3HD2 LEU 27 -0.370 2.095 12.401
175 HD22 LEU 27 1HD2 LEU 27 0.963 1.612 11.351
176 HD23 LEU 27 2HD2 LEU 27 -0.492 0.618 11.443
177 H LEU 28 H LEU 28 0.561 1.817 6.100
178 HA LEU 28 HA LEU 28 1.084 -0.935 5.650
179 HB2 LEU 28 1HB LEU 28 -0.462 0.031 4.199
180 HB3 LEU 28 2HB LEU 28 0.569 1.424 3.879
181 HG LEU 28 HG LEU 28 2.099 -0.136 2.624
182 HD11 LEU 28 1HD1 LEU 28 1.050 -2.236 1.816
183 HD12 LEU 28 2HD1 LEU 28 -0.238 -2.001 2.997
184 HD13 LEU 28 3HD1 LEU 28 1.422 -2.245 3.540
185 HD21 LEU 28 3HD2 LEU 28 -0.717 0.407 1.731
186 HD22 LEU 28 1HD2 LEU 28 0.484 -0.320 0.664
187 HD23 LEU 28 2HD2 LEU 28 0.757 1.290 1.330
188 H ILE 29 H ILE 29 2.991 1.983 5.324
189 HA ILE 29 HA ILE 29 5.075 0.989 3.738
190 HB ILE 29 HB ILE 29 5.217 3.086 5.908
191 HG12 ILE 29 1HG1 ILE 29 4.817 3.365 2.921
192 HG13 ILE 29 2HG1 ILE 29 3.563 3.575 4.138
193 HG21 ILE 29 1HG2 ILE 29 7.434 2.614 5.526
194 HG22 ILE 29 2HG2 ILE 29 7.159 2.157 3.846
195 HG23 ILE 29 3HG2 ILE 29 7.140 3.858 4.311
196 HD11 ILE 29 3HD1 ILE 29 5.258 5.352 5.082
197 HD12 ILE 29 1HD1 ILE 29 5.824 5.351 3.412
198 HD13 ILE 29 2HD1 ILE 29 4.142 5.742 3.774
199 H GLU 30 H GLU 30 4.606 0.951 7.247
200 HA GLU 30 HA GLU 30 7.136 -0.249 7.807
201 HB2 GLU 30 1HB GLU 30 4.627 0.089 9.447
202 HB3 GLU 30 2HB GLU 30 6.079 -0.680 10.072
203 HG2 GLU 30 1HG GLU 30 5.950 2.130 9.005
204 HG3 GLU 30 2HG GLU 30 5.868 1.692 10.710
205 H HIS 31 H HIS 31 3.890 -1.443 7.218
206 HA HIS 31 HA HIS 31 4.371 -4.119 8.042
207 HB2 HIS 31 1HB HIS 31 2.110 -3.631 7.966
208 HB3 HIS 31 2HB HIS 31 2.248 -2.731 6.458
209 HD1 HIS 31 HD1 HIS 31 1.797 -6.181 7.805
210 HD2 HIS 31 HD2 HIS 31 2.097 -4.282 4.122
211 HE1 HIS 31 HE1 HIS 31 1.077 -7.890 6.107
212 H GLN 32 H GLN 32 4.352 -2.537 4.859
213 HA GLN 32 HA GLN 32 4.818 -4.703 3.233
214 HB2 GLN 32 1HB GLN 32 5.692 -1.837 3.061
215 HB3 GLN 32 2HB GLN 32 6.177 -2.993 1.827
216 HG2 GLN 32 1HG GLN 32 3.686 -3.534 1.621
217 HG3 GLN 32 2HG GLN 32 3.425 -2.044 2.527
218 HE21 GLN 32 1HE2 GLN 32 2.415 -1.002 0.840
219 HE22 GLN 32 2HE2 GLN 32 3.256 -0.475 -0.574
220 H ALA 33 H ALA 33 7.193 -2.798 5.044
221 HA ALA 33 HA ALA 33 9.564 -3.770 4.138
222 HB1 ALA 33 3HB ALA 33 10.396 -3.527 6.506
223 HB2 ALA 33 1HB ALA 33 9.580 -2.116 5.832
224 HB3 ALA 33 2HB ALA 33 8.732 -3.168 6.966
225 H LEU 34 H LEU 34 7.343 -5.394 6.359
226 HA LEU 34 HA LEU 34 8.903 -7.549 7.120
227 HB2 LEU 34 1HB LEU 34 6.973 -8.537 7.870
228 HB3 LEU 34 2HB LEU 34 6.490 -6.845 7.784
229 HG LEU 34 HG LEU 34 5.544 -7.453 5.466
230 HD11 LEU 34 1HD1 LEU 34 6.495 -10.029 6.397
231 HD12 LEU 34 2HD1 LEU 34 5.962 -9.532 4.792
232 HD13 LEU 34 3HD1 LEU 34 4.779 -10.056 5.990
233 HD21 LEU 34 3HD2 LEU 34 4.174 -8.712 7.829
234 HD22 LEU 34 1HD2 LEU 34 3.442 -7.957 6.413
235 HD23 LEU 34 2HD2 LEU 34 4.282 -6.965 7.605
236 H HIS 35 H HIS 35 6.986 -7.108 4.184
237 HA HIS 35 HA HIS 35 7.382 -9.727 3.169
238 HB2 HIS 35 1HB HIS 35 6.631 -7.129 1.824
239 HB3 HIS 35 2HB HIS 35 6.701 -8.670 0.974
240 HD1 HIS 35 HD1 HIS 35 5.230 -10.581 2.639
241 HD2 HIS 35 HD2 HIS 35 4.048 -6.607 2.369
242 HE1 HIS 35 HE1 HIS 35 2.801 -10.556 3.291
243 H ALA 36 H ALA 36 8.846 -6.623 2.189
244 HA ALA 36 HA ALA 36 10.666 -7.484 0.353
245 HB1 ALA 36 3HB ALA 36 10.872 -5.254 0.473
246 HB2 ALA 36 1HB ALA 36 10.510 -5.213 2.199
247 HB3 ALA 36 2HB ALA 36 12.141 -5.600 1.648
248 H GLY 37 H GLY 37 11.182 -7.361 3.878
249 HA2 GLY 37 1HA GLY 37 13.727 -8.117 4.216
250 HA3 GLY 37 2HA GLY 37 12.438 -8.817 5.183
251 H GLU 38 H GLU 38 11.144 -10.357 3.263
252 HA GLU 38 HA GLU 38 13.044 -12.043 1.917
253 HB2 GLU 38 1HB GLU 38 12.764 -14.027 3.197
254 HB3 GLU 38 2HB GLU 38 13.179 -12.753 4.335
255 HG2 GLU 38 1HG GLU 38 10.778 -12.514 4.878
256 HG3 GLU 38 2HG GLU 38 10.439 -13.883 3.820
257 H SER 39 H SER 39 12.101 -13.262 0.341
258 HA SER 39 HA SER 39 9.343 -13.966 0.326
259 HB2 SER 39 1HB SER 39 9.325 -11.462 -0.189
260 HB3 SER 39 2HB SER 39 10.097 -11.878 -1.719
261 HG SER 39 HG SER 39 7.674 -11.744 -1.591
262 H GLY 40 H GLY 40 8.700 -14.963 -1.782
263 HA2 GLY 40 1HA GLY 40 11.062 -15.976 -3.237
264 HA3 GLY 40 2HA GLY 40 9.774 -17.049 -2.708
265 HA PRO 41 HA PRO 41 8.948 -15.684 -7.086
266 HB2 PRO 41 1HB PRO 41 8.588 -18.189 -8.069
267 HB3 PRO 41 2HB PRO 41 10.173 -17.412 -7.978
268 HG2 PRO 41 1HG PRO 41 8.938 -19.415 -6.129
269 HG3 PRO 41 2HG PRO 41 10.597 -19.340 -6.750
270 HD2 PRO 41 1HD PRO 41 9.931 -18.491 -4.267
271 HD3 PRO 41 2HD PRO 41 11.234 -17.744 -5.214
272 H SER 42 H SER 42 6.935 -14.874 -7.011
273 HA SER 42 HA SER 42 4.737 -16.466 -5.966
274 HB2 SER 42 1HB SER 42 4.963 -14.062 -5.363
275 HB3 SER 42 2HB SER 42 4.706 -13.641 -7.056
276 HG SER 42 HG SER 42 2.894 -14.877 -5.266
277 H SER 43 H SER 43 2.788 -16.833 -7.149
278 HA SER 43 HA SER 43 3.083 -17.984 -9.625
279 HB2 SER 43 1HB SER 43 0.594 -17.770 -9.839
280 HB3 SER 43 2HB SER 43 1.122 -18.427 -8.290
281 HG SER 43 HG SER 43 1.044 -15.955 -7.779
282 H GLY 44 H GLY 44 3.013 -17.338 -11.716
283 HA2 GLY 44 1HA GLY 44 2.030 -14.739 -12.479
284 HA3 GLY 44 2HA GLY 44 3.782 -14.863 -12.540
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -10.948 -22.884 7.283
2 HA2 GLY 1 1HA GLY 1 -13.183 -21.759 5.708
3 HA3 GLY 1 2HA GLY 1 -13.074 -21.625 7.457
4 H SER 2 H SER 2 -12.516 -20.064 4.571
5 HA SER 2 HA SER 2 -10.425 -18.335 5.689
6 HB2 SER 2 1HB SER 2 -9.916 -17.655 3.493
7 HB3 SER 2 2HB SER 2 -10.273 -19.375 3.332
8 HG SER 2 HG SER 2 -12.195 -18.905 2.417
9 H SER 3 H SER 3 -10.706 -15.954 4.868
10 HA SER 3 HA SER 3 -13.459 -15.039 4.902
11 HB2 SER 3 1HB SER 3 -12.767 -15.308 7.317
12 HB3 SER 3 2HB SER 3 -11.552 -14.061 7.036
13 HG SER 3 HG SER 3 -13.224 -12.625 6.519
14 H GLY 4 H GLY 4 -13.642 -12.717 4.494
15 HA2 GLY 4 1HA GLY 4 -11.661 -11.873 2.576
16 HA3 GLY 4 2HA GLY 4 -13.146 -11.028 2.987
17 H SER 5 H SER 5 -12.156 -9.016 3.113
18 HA SER 5 HA SER 5 -10.415 -8.660 5.463
19 HB2 SER 5 1HB SER 5 -9.184 -6.924 4.287
20 HB3 SER 5 2HB SER 5 -9.141 -8.411 3.340
21 HG SER 5 HG SER 5 -10.063 -6.007 2.629
22 H SER 6 H SER 6 -10.493 -6.472 6.390
23 HA SER 6 HA SER 6 -13.241 -5.491 6.388
24 HB2 SER 6 1HB SER 6 -10.933 -4.767 8.209
25 HB3 SER 6 2HB SER 6 -12.620 -4.304 8.434
26 HG SER 6 HG SER 6 -11.715 -6.268 9.573
27 H GLY 7 H GLY 7 -13.402 -4.263 4.533
28 HA2 GLY 7 1HA GLY 7 -12.770 -1.578 4.630
29 HA3 GLY 7 2HA GLY 7 -11.444 -2.336 3.763
30 H ALA 8 H ALA 8 -14.635 -1.156 3.576
31 HA ALA 8 HA ALA 8 -15.144 -2.434 0.998
32 HB1 ALA 8 3HB ALA 8 -17.087 -2.480 2.251
33 HB2 ALA 8 1HB ALA 8 -16.819 -0.869 2.917
34 HB3 ALA 8 2HB ALA 8 -17.329 -1.057 1.238
35 H ALA 9 H ALA 9 -13.016 -0.913 0.648
36 HA ALA 9 HA ALA 9 -13.860 1.011 -1.268
37 HB1 ALA 9 3HB ALA 9 -13.914 2.879 -0.077
38 HB2 ALA 9 1HB ALA 9 -13.541 1.968 1.387
39 HB3 ALA 9 2HB ALA 9 -12.235 2.626 0.401
40 H LYS 10 H LYS 10 -12.355 1.128 -2.813
41 HA LYS 10 HA LYS 10 -9.768 -0.117 -2.322
42 HB2 LYS 10 1HB LYS 10 -11.269 -0.617 -4.337
43 HB3 LYS 10 2HB LYS 10 -10.771 0.952 -4.955
44 HG2 LYS 10 1HG LYS 10 -9.337 -0.566 -5.987
45 HG3 LYS 10 2HG LYS 10 -8.379 0.114 -4.669
46 HD2 LYS 10 1HD LYS 10 -9.055 -1.872 -3.287
47 HD3 LYS 10 2HD LYS 10 -9.762 -2.564 -4.749
48 HE2 LYS 10 1HE LYS 10 -7.612 -3.505 -4.591
49 HE3 LYS 10 2HE LYS 10 -7.480 -2.247 -5.819
50 HZ1 LYS 10 3HZ LYS 10 -5.674 -2.383 -4.042
51 HZ2 LYS 10 1HZ LYS 10 -6.813 -1.697 -2.996
52 HZ3 LYS 10 2HZ LYS 10 -6.324 -0.858 -4.381
53 H THR 11 H THR 11 -10.179 2.401 -1.088
54 HA THR 11 HA THR 11 -8.241 4.052 -2.576
55 HB THR 11 HB THR 11 -10.484 5.105 -2.499
56 HG1 THR 11 HG1 THR 11 -8.502 6.368 -2.442
57 HG21 THR 11 3HG2 THR 11 -10.380 5.900 0.282
58 HG22 THR 11 1HG2 THR 11 -10.528 4.151 0.118
59 HG23 THR 11 2HG2 THR 11 -11.716 5.212 -0.640
60 H THR 12 H THR 12 -8.957 2.371 0.281
61 HA THR 12 HA THR 12 -7.327 3.909 2.070
62 HB THR 12 HB THR 12 -7.970 1.029 2.575
63 HG1 THR 12 HG1 THR 12 -10.067 1.759 3.297
64 HG21 THR 12 3HG2 THR 12 -8.587 2.882 4.679
65 HG22 THR 12 1HG2 THR 12 -6.957 3.181 4.079
66 HG23 THR 12 2HG2 THR 12 -7.402 1.576 4.659
67 H SER 13 H SER 13 -5.343 3.202 3.035
68 HA SER 13 HA SER 13 -3.477 2.208 1.123
69 HB2 SER 13 1HB SER 13 -2.860 2.442 4.053
70 HB3 SER 13 2HB SER 13 -1.814 2.758 2.669
71 HG SER 13 HG SER 13 -3.321 4.551 2.221
72 H GLU 14 H GLU 14 -4.749 0.148 0.828
73 HA GLU 14 HA GLU 14 -4.212 -1.852 2.893
74 HB2 GLU 14 1HB GLU 14 -6.434 -2.028 2.179
75 HB3 GLU 14 2HB GLU 14 -6.012 -1.762 0.493
76 HG2 GLU 14 1HG GLU 14 -4.872 -3.980 0.507
77 HG3 GLU 14 2HG GLU 14 -5.521 -4.239 2.125
78 H CYS 15 H CYS 15 -3.041 -3.730 2.506
79 HA CYS 15 HA CYS 15 -0.970 -3.469 0.510
80 HB2 CYS 15 1HB CYS 15 -0.631 -4.288 2.902
81 HB3 CYS 15 2HB CYS 15 -1.379 -5.796 2.386
82 H GLN 16 H GLN 16 -1.433 -4.028 -1.517
83 HA GLN 16 HA GLN 16 -3.448 -5.898 -2.227
84 HB2 GLN 16 1HB GLN 16 -2.578 -5.629 -4.525
85 HB3 GLN 16 2HB GLN 16 -2.869 -4.088 -3.729
86 HG2 GLN 16 1HG GLN 16 -0.843 -3.662 -4.656
87 HG3 GLN 16 2HG GLN 16 -0.322 -4.317 -3.104
88 HE21 GLN 16 1HE2 GLN 16 1.680 -4.809 -4.144
89 HE22 GLN 16 2HE2 GLN 16 1.829 -6.227 -5.120
90 H GLU 17 H GLU 17 -0.221 -6.256 -1.235
91 HA GLU 17 HA GLU 17 0.457 -8.605 -2.685
92 HB2 GLU 17 1HB GLU 17 1.525 -7.555 -0.059
93 HB3 GLU 17 2HB GLU 17 2.247 -8.859 -0.991
94 HG2 GLU 17 1HG GLU 17 3.057 -7.455 -2.599
95 HG3 GLU 17 2HG GLU 17 1.805 -6.244 -2.328
96 H CYS 18 H CYS 18 -0.890 -8.039 0.545
97 HA CYS 18 HA CYS 18 -1.588 -10.901 0.663
98 HB2 CYS 18 1HB CYS 18 -1.546 -10.627 3.156
99 HB3 CYS 18 2HB CYS 18 0.024 -10.444 2.382
100 H GLY 19 H GLY 19 -2.600 -7.612 1.499
101 HA2 GLY 19 1HA GLY 19 -4.897 -6.989 0.932
102 HA3 GLY 19 2HA GLY 19 -5.390 -8.583 1.482
103 H LYS 20 H LYS 20 -3.187 -6.274 3.023
104 HA LYS 20 HA LYS 20 -4.936 -6.329 5.387
105 HB2 LYS 20 1HB LYS 20 -2.378 -7.018 5.351
106 HB3 LYS 20 2HB LYS 20 -2.143 -5.281 5.499
107 HG2 LYS 20 1HG LYS 20 -3.027 -5.200 7.608
108 HG3 LYS 20 2HG LYS 20 -4.032 -6.630 7.360
109 HD2 LYS 20 1HD LYS 20 -2.138 -8.078 7.554
110 HD3 LYS 20 2HD LYS 20 -1.024 -6.709 7.546
111 HE2 LYS 20 1HE LYS 20 -1.141 -7.231 9.795
112 HE3 LYS 20 2HE LYS 20 -2.345 -5.953 9.648
113 HZ1 LYS 20 3HZ LYS 20 -3.274 -7.711 10.929
114 HZ2 LYS 20 1HZ LYS 20 -2.846 -8.874 9.777
115 HZ3 LYS 20 2HZ LYS 20 -4.041 -7.731 9.421
116 H ILE 21 H ILE 21 -6.161 -4.597 5.674
117 HA ILE 21 HA ILE 21 -5.646 -2.131 4.294
118 HB ILE 21 HB ILE 21 -7.736 -2.765 6.380
119 HG12 ILE 21 1HG1 ILE 21 -9.157 -2.663 4.156
120 HG13 ILE 21 2HG1 ILE 21 -7.619 -3.082 3.408
121 HG21 ILE 21 1HG2 ILE 21 -7.542 -0.463 4.442
122 HG22 ILE 21 2HG2 ILE 21 -8.892 -0.785 5.529
123 HG23 ILE 21 3HG2 ILE 21 -7.308 -0.373 6.188
124 HD11 ILE 21 3HD1 ILE 21 -8.376 -4.724 5.720
125 HD12 ILE 21 1HD1 ILE 21 -9.414 -4.876 4.303
126 HD13 ILE 21 2HD1 ILE 21 -7.684 -5.190 4.166
127 H PHE 22 H PHE 22 -4.871 -0.243 5.086
128 HA PHE 22 HA PHE 22 -4.192 -0.127 7.945
129 HB2 PHE 22 1HB PHE 22 -2.408 0.716 5.652
130 HB3 PHE 22 2HB PHE 22 -2.056 0.971 7.358
131 HD1 PHE 22 HD1 PHE 22 -1.475 -0.904 8.802
132 HD2 PHE 22 HD2 PHE 22 -2.171 -1.443 4.638
133 HE1 PHE 22 HE1 PHE 22 -0.400 -3.115 8.912
134 HE2 PHE 22 HE2 PHE 22 -1.098 -3.654 4.741
135 HZ PHE 22 HZ PHE 22 -0.212 -4.493 6.880
136 H ARG 23 H ARG 23 -4.795 1.694 8.935
137 HA ARG 23 HA ARG 23 -6.520 3.535 7.940
138 HB2 ARG 23 1HB ARG 23 -5.915 3.329 10.326
139 HB3 ARG 23 2HB ARG 23 -4.374 4.109 9.992
140 HG2 ARG 23 1HG ARG 23 -5.788 5.759 10.913
141 HG3 ARG 23 2HG ARG 23 -5.678 6.100 9.185
142 HD2 ARG 23 1HD ARG 23 -7.825 4.671 9.008
143 HD3 ARG 23 2HD ARG 23 -7.961 4.946 10.744
144 HE ARG 23 HE ARG 23 -7.645 7.437 9.826
145 HH11 ARG 23 1HH1 ARG 23 -9.716 4.842 8.780
146 HH12 ARG 23 2HH1 ARG 23 -10.966 5.896 8.206
147 HH21 ARG 23 1HH2 ARG 23 -9.282 8.835 9.074
148 HH22 ARG 23 2HH2 ARG 23 -10.718 8.167 8.373
149 H HIS 24 H HIS 24 -3.097 4.388 8.468
150 HA HIS 24 HA HIS 24 -3.289 6.180 6.138
151 HB2 HIS 24 1HB HIS 24 -1.230 7.272 7.313
152 HB3 HIS 24 2HB HIS 24 -2.849 7.604 7.921
153 HD2 HIS 24 HD2 HIS 24 -3.504 6.015 10.291
154 HE1 HIS 24 HE1 HIS 24 0.584 5.542 11.321
155 HE2 HIS 24 HE2 HIS 24 -1.800 5.256 12.083
156 H SER 25 H SER 25 -1.711 6.138 4.580
157 HA SER 25 HA SER 25 -0.552 3.893 3.728
158 HB2 SER 25 1HB SER 25 1.181 5.247 2.594
159 HB3 SER 25 2HB SER 25 -0.417 5.982 2.468
160 HG SER 25 HG SER 25 1.188 7.510 3.040
161 H SER 26 H SER 26 1.104 6.163 5.918
162 HA SER 26 HA SER 26 3.509 5.088 6.320
163 HB2 SER 26 1HB SER 26 1.766 5.699 8.708
164 HB3 SER 26 2HB SER 26 3.509 5.917 8.550
165 HG SER 26 HG SER 26 3.201 7.685 7.347
166 H LEU 27 H LEU 27 0.820 3.992 8.392
167 HA LEU 27 HA LEU 27 1.930 1.844 9.588
168 HB2 LEU 27 1HB LEU 27 -0.831 2.299 8.542
169 HB3 LEU 27 2HB LEU 27 -0.418 0.751 9.278
170 HG LEU 27 HG LEU 27 -0.117 3.407 10.674
171 HD11 LEU 27 1HD1 LEU 27 -2.427 3.212 10.339
172 HD12 LEU 27 2HD1 LEU 27 -2.151 2.559 11.954
173 HD13 LEU 27 3HD1 LEU 27 -2.406 1.466 10.594
174 HD21 LEU 27 3HD2 LEU 27 -0.452 0.926 12.198
175 HD22 LEU 27 1HD2 LEU 27 0.664 2.270 12.441
176 HD23 LEU 27 2HD2 LEU 27 1.040 1.014 11.261
177 H LEU 28 H LEU 28 0.550 1.864 6.321
178 HA LEU 28 HA LEU 28 1.046 -0.886 5.809
179 HB2 LEU 28 1HB LEU 28 -0.603 0.111 4.486
180 HB3 LEU 28 2HB LEU 28 0.424 1.486 4.086
181 HG LEU 28 HG LEU 28 1.808 -0.012 2.679
182 HD11 LEU 28 1HD1 LEU 28 0.632 -2.045 4.072
183 HD12 LEU 28 2HD1 LEU 28 1.523 -2.226 2.560
184 HD13 LEU 28 3HD1 LEU 28 -0.236 -2.096 2.537
185 HD21 LEU 28 3HD2 LEU 28 -0.892 -0.440 1.593
186 HD22 LEU 28 1HD2 LEU 28 0.500 0.387 0.893
187 HD23 LEU 28 2HD2 LEU 28 -0.521 1.219 2.066
188 H ILE 29 H ILE 29 2.880 2.068 5.287
189 HA ILE 29 HA ILE 29 4.863 1.113 3.586
190 HB ILE 29 HB ILE 29 5.157 3.152 5.795
191 HG12 ILE 29 1HG1 ILE 29 4.577 3.539 2.851
192 HG13 ILE 29 2HG1 ILE 29 3.374 3.648 4.132
193 HG21 ILE 29 1HG2 ILE 29 7.332 2.467 5.138
194 HG22 ILE 29 2HG2 ILE 29 6.895 2.490 3.431
195 HG23 ILE 29 3HG2 ILE 29 7.018 4.002 4.329
196 HD11 ILE 29 3HD1 ILE 29 5.302 5.606 3.213
197 HD12 ILE 29 1HD1 ILE 29 3.832 5.818 4.164
198 HD13 ILE 29 2HD1 ILE 29 5.343 5.380 4.962
199 H GLU 30 H GLU 30 4.666 0.998 7.121
200 HA GLU 30 HA GLU 30 7.228 -0.196 7.474
201 HB2 GLU 30 1HB GLU 30 4.831 0.199 9.236
202 HB3 GLU 30 2HB GLU 30 6.173 -0.802 9.774
203 HG2 GLU 30 1HG GLU 30 6.370 2.084 8.942
204 HG3 GLU 30 2HG GLU 30 6.336 1.491 10.602
205 H HIS 31 H HIS 31 3.967 -1.428 7.060
206 HA HIS 31 HA HIS 31 4.494 -4.111 7.774
207 HB2 HIS 31 1HB HIS 31 2.225 -3.577 7.736
208 HB3 HIS 31 2HB HIS 31 2.345 -2.742 6.190
209 HD1 HIS 31 HD1 HIS 31 2.047 -6.173 7.672
210 HD2 HIS 31 HD2 HIS 31 2.042 -4.349 3.939
211 HE1 HIS 31 HE1 HIS 31 1.280 -7.944 6.059
212 H GLN 32 H GLN 32 4.346 -2.503 4.601
213 HA GLN 32 HA GLN 32 4.830 -4.617 2.935
214 HB2 GLN 32 1HB GLN 32 5.876 -1.791 2.754
215 HB3 GLN 32 2HB GLN 32 6.008 -2.960 1.446
216 HG2 GLN 32 1HG GLN 32 3.515 -3.170 1.503
217 HG3 GLN 32 2HG GLN 32 3.495 -1.820 2.636
218 HE21 GLN 32 1HE2 GLN 32 2.195 -1.767 0.179
219 HE22 GLN 32 2HE2 GLN 32 2.957 -0.589 -0.828
220 H ALA 33 H ALA 33 7.194 -2.792 4.823
221 HA ALA 33 HA ALA 33 9.570 -3.712 3.841
222 HB1 ALA 33 3HB ALA 33 9.073 -3.538 6.799
223 HB2 ALA 33 1HB ALA 33 10.553 -3.181 5.908
224 HB3 ALA 33 2HB ALA 33 9.161 -2.107 5.772
225 H LEU 34 H LEU 34 7.272 -5.449 5.849
226 HA LEU 34 HA LEU 34 8.896 -7.619 6.574
227 HB2 LEU 34 1HB LEU 34 7.005 -8.576 7.408
228 HB3 LEU 34 2HB LEU 34 6.482 -6.896 7.305
229 HG LEU 34 HG LEU 34 5.474 -7.542 5.040
230 HD11 LEU 34 1HD1 LEU 34 4.804 -10.146 5.449
231 HD12 LEU 34 2HD1 LEU 34 6.483 -10.124 5.987
232 HD13 LEU 34 3HD1 LEU 34 6.073 -9.590 4.357
233 HD21 LEU 34 3HD2 LEU 34 3.434 -8.328 6.086
234 HD22 LEU 34 1HD2 LEU 34 4.176 -7.069 7.075
235 HD23 LEU 34 2HD2 LEU 34 4.322 -8.763 7.547
236 H HIS 35 H HIS 35 6.831 -7.087 3.750
237 HA HIS 35 HA HIS 35 7.096 -9.641 2.612
238 HB2 HIS 35 1HB HIS 35 6.522 -6.939 1.402
239 HB3 HIS 35 2HB HIS 35 6.542 -8.417 0.445
240 HD1 HIS 35 HD1 HIS 35 4.987 -10.356 2.089
241 HD2 HIS 35 HD2 HIS 35 3.916 -6.354 1.784
242 HE1 HIS 35 HE1 HIS 35 2.539 -10.270 2.657
243 H ALA 36 H ALA 36 9.001 -6.683 2.184
244 HA ALA 36 HA ALA 36 10.823 -7.982 0.351
245 HB1 ALA 36 3HB ALA 36 12.071 -5.709 0.759
246 HB2 ALA 36 1HB ALA 36 10.614 -5.775 -0.233
247 HB3 ALA 36 2HB ALA 36 10.518 -5.227 1.441
248 H GLY 37 H GLY 37 10.666 -9.260 2.873
249 HA2 GLY 37 1HA GLY 37 13.319 -8.634 4.013
250 HA3 GLY 37 2HA GLY 37 11.992 -9.321 4.938
251 H GLU 38 H GLU 38 11.145 -11.460 3.935
252 HA GLU 38 HA GLU 38 13.475 -13.190 3.657
253 HB2 GLU 38 1HB GLU 38 10.616 -13.597 4.421
254 HB3 GLU 38 2HB GLU 38 11.522 -14.963 3.787
255 HG2 GLU 38 1HG GLU 38 12.257 -13.312 6.194
256 HG3 GLU 38 2HG GLU 38 11.566 -14.934 6.211
257 H SER 39 H SER 39 10.357 -12.655 2.026
258 HA SER 39 HA SER 39 11.167 -14.264 -0.236
259 HB2 SER 39 1HB SER 39 8.949 -13.723 -1.142
260 HB3 SER 39 2HB SER 39 8.825 -14.284 0.525
261 HG SER 39 HG SER 39 8.936 -11.893 1.000
262 H GLY 40 H GLY 40 12.971 -12.231 0.086
263 HA2 GLY 40 1HA GLY 40 12.273 -10.329 -2.063
264 HA3 GLY 40 2HA GLY 40 13.412 -9.985 -0.770
265 HA PRO 41 HA PRO 41 15.906 -11.185 -4.450
266 HB2 PRO 41 1HB PRO 41 17.840 -9.331 -4.013
267 HB3 PRO 41 2HB PRO 41 16.352 -8.976 -4.898
268 HG2 PRO 41 1HG PRO 41 17.041 -8.400 -2.042
269 HG3 PRO 41 2HG PRO 41 16.224 -7.364 -3.227
270 HD2 PRO 41 1HD PRO 41 14.878 -8.742 -1.324
271 HD3 PRO 41 2HD PRO 41 14.192 -8.408 -2.927
272 H SER 42 H SER 42 18.477 -11.395 -4.401
273 HA SER 42 HA SER 42 19.153 -12.795 -1.896
274 HB2 SER 42 1HB SER 42 19.853 -13.470 -4.756
275 HB3 SER 42 2HB SER 42 20.667 -14.203 -3.375
276 HG SER 42 HG SER 42 19.031 -15.490 -3.188
277 H SER 43 H SER 43 20.518 -11.021 -4.654
278 HA SER 43 HA SER 43 22.672 -10.092 -2.871
279 HB2 SER 43 1HB SER 43 22.822 -11.084 -5.702
280 HB3 SER 43 2HB SER 43 24.007 -9.922 -5.107
281 HG SER 43 HG SER 43 24.080 -12.501 -4.799
282 H GLY 44 H GLY 44 20.314 -8.696 -3.090
283 HA2 GLY 44 1HA GLY 44 20.480 -6.201 -3.181
284 HA3 GLY 44 2HA GLY 44 21.060 -6.422 -4.825
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -16.297 -6.971 15.197
2 HA2 GLY 1 1HA GLY 1 -17.575 -8.975 15.994
3 HA3 GLY 1 2HA GLY 1 -18.455 -8.039 14.795
4 H SER 2 H SER 2 -19.263 -10.529 14.998
5 HA SER 2 HA SER 2 -17.799 -12.316 13.274
6 HB2 SER 2 1HB SER 2 -19.442 -13.935 13.796
7 HB3 SER 2 2HB SER 2 -19.263 -12.987 15.273
8 HG SER 2 HG SER 2 -21.299 -12.716 13.313
9 H SER 3 H SER 3 -18.114 -12.695 11.160
10 HA SER 3 HA SER 3 -18.879 -12.477 9.028
11 HB2 SER 3 1HB SER 3 -21.527 -11.782 10.320
12 HB3 SER 3 2HB SER 3 -21.279 -12.314 8.657
13 HG SER 3 HG SER 3 -21.373 -14.276 9.370
14 H GLY 4 H GLY 4 -17.539 -10.305 10.094
15 HA2 GLY 4 1HA GLY 4 -18.441 -8.218 8.345
16 HA3 GLY 4 2HA GLY 4 -18.676 -7.815 10.040
17 H SER 5 H SER 5 -16.081 -9.394 8.169
18 HA SER 5 HA SER 5 -14.215 -7.401 9.274
19 HB2 SER 5 1HB SER 5 -13.669 -10.358 8.913
20 HB3 SER 5 2HB SER 5 -12.509 -9.159 9.482
21 HG SER 5 HG SER 5 -13.714 -10.455 11.112
22 H SER 6 H SER 6 -14.264 -6.204 7.363
23 HA SER 6 HA SER 6 -12.465 -7.108 5.328
24 HB2 SER 6 1HB SER 6 -13.958 -7.097 3.448
25 HB3 SER 6 2HB SER 6 -14.651 -8.175 4.660
26 HG SER 6 HG SER 6 -15.385 -5.455 4.314
27 H GLY 7 H GLY 7 -11.546 -5.422 4.241
28 HA2 GLY 7 1HA GLY 7 -11.481 -2.901 5.267
29 HA3 GLY 7 2HA GLY 7 -11.135 -3.250 3.580
30 H ALA 8 H ALA 8 -12.711 -1.131 5.286
31 HA ALA 8 HA ALA 8 -15.347 -1.231 4.153
32 HB1 ALA 8 3HB ALA 8 -14.006 0.268 6.184
33 HB2 ALA 8 1HB ALA 8 -14.817 1.376 5.077
34 HB3 ALA 8 2HB ALA 8 -15.736 0.103 5.882
35 H ALA 9 H ALA 9 -12.569 0.966 3.720
36 HA ALA 9 HA ALA 9 -13.744 1.861 1.183
37 HB1 ALA 9 3HB ALA 9 -11.774 3.072 3.078
38 HB2 ALA 9 1HB ALA 9 -11.829 3.599 1.396
39 HB3 ALA 9 2HB ALA 9 -13.259 3.756 2.417
40 H LYS 10 H LYS 10 -12.483 1.952 -0.722
41 HA LYS 10 HA LYS 10 -10.568 -0.216 -0.922
42 HB2 LYS 10 1HB LYS 10 -12.491 0.492 -2.595
43 HB3 LYS 10 2HB LYS 10 -11.242 1.554 -3.231
44 HG2 LYS 10 1HG LYS 10 -10.686 -1.355 -2.833
45 HG3 LYS 10 2HG LYS 10 -11.562 -0.794 -4.259
46 HD2 LYS 10 1HD LYS 10 -8.941 0.426 -3.448
47 HD3 LYS 10 2HD LYS 10 -9.011 -1.041 -4.427
48 HE2 LYS 10 1HE LYS 10 -8.957 0.514 -6.092
49 HE3 LYS 10 2HE LYS 10 -10.699 0.424 -5.843
50 HZ1 LYS 10 3HZ LYS 10 -9.181 2.684 -5.743
51 HZ2 LYS 10 1HZ LYS 10 -9.447 2.324 -4.111
52 HZ3 LYS 10 2HZ LYS 10 -10.760 2.524 -5.159
53 H THR 11 H THR 11 -10.603 3.195 -1.976
54 HA THR 11 HA THR 11 -8.021 3.537 -2.732
55 HB THR 11 HB THR 11 -9.756 5.323 -2.761
56 HG1 THR 11 HG1 THR 11 -7.947 6.357 -3.162
57 HG21 THR 11 3HG2 THR 11 -10.182 6.666 -0.825
58 HG22 THR 11 1HG2 THR 11 -8.979 5.786 0.118
59 HG23 THR 11 2HG2 THR 11 -10.468 4.984 -0.380
60 H THR 12 H THR 12 -9.148 2.894 0.461
61 HA THR 12 HA THR 12 -7.237 3.945 2.114
62 HB THR 12 HB THR 12 -8.025 1.091 2.545
63 HG1 THR 12 HG1 THR 12 -10.065 2.068 3.393
64 HG21 THR 12 3HG2 THR 12 -7.300 1.592 4.590
65 HG22 THR 12 1HG2 THR 12 -8.592 2.782 4.737
66 HG23 THR 12 2HG2 THR 12 -7.016 3.264 4.108
67 H SER 13 H SER 13 -5.247 3.222 2.953
68 HA SER 13 HA SER 13 -3.477 2.132 1.024
69 HB2 SER 13 1HB SER 13 -2.793 2.283 3.943
70 HB3 SER 13 2HB SER 13 -1.764 2.586 2.544
71 HG SER 13 HG SER 13 -2.487 4.493 3.723
72 H GLU 14 H GLU 14 -4.448 0.095 0.531
73 HA GLU 14 HA GLU 14 -4.159 -1.950 2.623
74 HB2 GLU 14 1HB GLU 14 -6.361 -2.033 1.809
75 HB3 GLU 14 2HB GLU 14 -5.850 -1.792 0.144
76 HG2 GLU 14 1HG GLU 14 -4.772 -4.045 0.238
77 HG3 GLU 14 2HG GLU 14 -5.533 -4.271 1.812
78 H CYS 15 H CYS 15 -2.925 -3.767 2.299
79 HA CYS 15 HA CYS 15 -0.838 -3.532 0.318
80 HB2 CYS 15 1HB CYS 15 -0.498 -4.292 2.719
81 HB3 CYS 15 2HB CYS 15 -1.260 -5.809 2.253
82 H GLN 16 H GLN 16 -1.231 -4.161 -1.700
83 HA GLN 16 HA GLN 16 -3.241 -6.037 -2.409
84 HB2 GLN 16 1HB GLN 16 -2.320 -5.834 -4.690
85 HB3 GLN 16 2HB GLN 16 -2.602 -4.267 -3.942
86 HG2 GLN 16 1HG GLN 16 -0.550 -3.888 -4.821
87 HG3 GLN 16 2HG GLN 16 -0.068 -4.537 -3.255
88 HE21 GLN 16 1HE2 GLN 16 -0.889 -5.654 -6.521
89 HE22 GLN 16 2HE2 GLN 16 0.344 -6.861 -6.604
90 H GLU 17 H GLU 17 -0.030 -6.380 -1.345
91 HA GLU 17 HA GLU 17 0.678 -8.764 -2.705
92 HB2 GLU 17 1HB GLU 17 1.649 -7.688 -0.051
93 HB3 GLU 17 2HB GLU 17 2.406 -8.994 -0.952
94 HG2 GLU 17 1HG GLU 17 3.136 -7.565 -2.644
95 HG3 GLU 17 2HG GLU 17 2.022 -6.285 -2.168
96 H CYS 18 H CYS 18 -0.794 -8.134 0.458
97 HA CYS 18 HA CYS 18 -1.542 -10.982 0.581
98 HB2 CYS 18 1HB CYS 18 -1.509 -10.746 3.060
99 HB3 CYS 18 2HB CYS 18 0.073 -10.525 2.320
100 H GLY 19 H GLY 19 -2.482 -7.665 1.378
101 HA2 GLY 19 1HA GLY 19 -4.755 -6.991 0.773
102 HA3 GLY 19 2HA GLY 19 -5.295 -8.566 1.334
103 H LYS 20 H LYS 20 -3.041 -6.324 2.894
104 HA LYS 20 HA LYS 20 -4.793 -6.338 5.250
105 HB2 LYS 20 1HB LYS 20 -2.220 -6.968 5.199
106 HB3 LYS 20 2HB LYS 20 -2.023 -5.225 5.322
107 HG2 LYS 20 1HG LYS 20 -2.866 -5.137 7.441
108 HG3 LYS 20 2HG LYS 20 -3.874 -6.568 7.218
109 HD2 LYS 20 1HD LYS 20 -2.102 -8.027 7.587
110 HD3 LYS 20 2HD LYS 20 -0.888 -6.799 7.218
111 HE2 LYS 20 1HE LYS 20 -1.507 -5.610 9.288
112 HE3 LYS 20 2HE LYS 20 -2.657 -6.893 9.661
113 HZ1 LYS 20 3HZ LYS 20 0.293 -7.149 9.463
114 HZ2 LYS 20 1HZ LYS 20 -0.761 -8.461 9.638
115 HZ3 LYS 20 2HZ LYS 20 -0.651 -7.296 10.858
116 H ILE 21 H ILE 21 -6.087 -4.643 5.456
117 HA ILE 21 HA ILE 21 -5.625 -2.182 4.062
118 HB ILE 21 HB ILE 21 -7.699 -2.873 6.147
119 HG12 ILE 21 1HG1 ILE 21 -9.143 -2.786 3.967
120 HG13 ILE 21 2HG1 ILE 21 -7.606 -3.059 3.154
121 HG21 ILE 21 1HG2 ILE 21 -8.836 -0.882 5.576
122 HG22 ILE 21 2HG2 ILE 21 -7.156 -0.424 5.849
123 HG23 ILE 21 3HG2 ILE 21 -7.771 -0.580 4.204
124 HD11 ILE 21 3HD1 ILE 21 -9.309 -4.978 4.182
125 HD12 ILE 21 1HD1 ILE 21 -7.646 -5.218 3.646
126 HD13 ILE 21 2HD1 ILE 21 -7.987 -4.897 5.347
127 H PHE 22 H PHE 22 -4.950 -0.239 4.839
128 HA PHE 22 HA PHE 22 -4.270 -0.057 7.690
129 HB2 PHE 22 1HB PHE 22 -2.465 0.702 5.384
130 HB3 PHE 22 2HB PHE 22 -2.145 1.081 7.074
131 HD1 PHE 22 HD1 PHE 22 -1.744 -0.773 8.689
132 HD2 PHE 22 HD2 PHE 22 -1.978 -1.421 4.489
133 HE1 PHE 22 HE1 PHE 22 -0.630 -2.949 8.966
134 HE2 PHE 22 HE2 PHE 22 -0.865 -3.599 4.760
135 HZ PHE 22 HZ PHE 22 -0.190 -4.365 7.001
136 H ARG 23 H ARG 23 -4.729 1.857 8.630
137 HA ARG 23 HA ARG 23 -6.516 3.638 7.548
138 HB2 ARG 23 1HB ARG 23 -5.658 3.367 9.986
139 HB3 ARG 23 2HB ARG 23 -4.463 4.573 9.529
140 HG2 ARG 23 1HG ARG 23 -6.214 5.758 10.548
141 HG3 ARG 23 2HG ARG 23 -6.401 6.032 8.815
142 HD2 ARG 23 1HD ARG 23 -8.089 4.221 8.758
143 HD3 ARG 23 2HD ARG 23 -7.945 4.071 10.508
144 HE ARG 23 HE ARG 23 -9.409 6.057 9.068
145 HH11 ARG 23 1HH1 ARG 23 -7.633 5.442 11.999
146 HH12 ARG 23 2HH1 ARG 23 -8.469 6.652 12.914
147 HH21 ARG 23 1HH2 ARG 23 -10.517 7.653 10.262
148 HH22 ARG 23 2HH2 ARG 23 -10.110 7.909 11.926
149 H HIS 24 H HIS 24 -3.129 4.556 8.174
150 HA HIS 24 HA HIS 24 -3.254 6.268 5.781
151 HB2 HIS 24 1HB HIS 24 -1.238 7.403 7.005
152 HB3 HIS 24 2HB HIS 24 -2.885 7.757 7.517
153 HD2 HIS 24 HD2 HIS 24 -3.649 6.459 9.968
154 HE1 HIS 24 HE1 HIS 24 0.358 5.670 11.116
155 HE2 HIS 24 HE2 HIS 24 -2.054 5.658 11.840
156 H SER 25 H SER 25 -1.521 6.301 4.346
157 HA SER 25 HA SER 25 -0.349 4.049 3.520
158 HB2 SER 25 1HB SER 25 1.157 6.673 3.575
159 HB3 SER 25 2HB SER 25 1.369 5.352 2.426
160 HG SER 25 HG SER 25 -1.091 5.849 2.158
161 H SER 26 H SER 26 1.241 6.260 5.821
162 HA SER 26 HA SER 26 3.574 5.095 6.365
163 HB2 SER 26 1HB SER 26 1.685 5.826 8.609
164 HB3 SER 26 2HB SER 26 3.448 5.888 8.627
165 HG SER 26 HG SER 26 3.203 7.475 6.876
166 H LEU 27 H LEU 27 0.691 4.095 8.216
167 HA LEU 27 HA LEU 27 1.652 1.916 9.505
168 HB2 LEU 27 1HB LEU 27 -1.018 2.455 8.271
169 HB3 LEU 27 2HB LEU 27 -0.705 0.912 9.063
170 HG LEU 27 HG LEU 27 -0.398 3.580 10.430
171 HD11 LEU 27 1HD1 LEU 27 -2.732 1.677 10.557
172 HD12 LEU 27 2HD1 LEU 27 -2.724 3.218 9.701
173 HD13 LEU 27 3HD1 LEU 27 -2.548 3.184 11.455
174 HD21 LEU 27 3HD2 LEU 27 0.878 1.887 11.513
175 HD22 LEU 27 1HD2 LEU 27 -0.445 0.727 11.394
176 HD23 LEU 27 2HD2 LEU 27 -0.591 2.123 12.461
177 H LEU 28 H LEU 28 0.551 2.010 6.142
178 HA LEU 28 HA LEU 28 0.958 -0.770 5.669
179 HB2 LEU 28 1HB LEU 28 -0.567 0.276 4.240
180 HB3 LEU 28 2HB LEU 28 0.526 1.618 3.911
181 HG LEU 28 HG LEU 28 1.972 -0.004 2.644
182 HD11 LEU 28 1HD1 LEU 28 1.543 -2.171 2.810
183 HD12 LEU 28 2HD1 LEU 28 0.022 -1.905 1.958
184 HD13 LEU 28 3HD1 LEU 28 0.067 -1.850 3.720
185 HD21 LEU 28 3HD2 LEU 28 0.726 0.211 0.658
186 HD22 LEU 28 1HD2 LEU 28 0.247 1.581 1.660
187 HD23 LEU 28 2HD2 LEU 28 -0.812 0.177 1.523
188 H ILE 29 H ILE 29 2.934 2.108 5.334
189 HA ILE 29 HA ILE 29 4.989 1.088 3.743
190 HB ILE 29 HB ILE 29 5.205 3.120 5.968
191 HG12 ILE 29 1HG1 ILE 29 4.807 3.506 2.993
192 HG13 ILE 29 2HG1 ILE 29 3.551 3.692 4.213
193 HG21 ILE 29 1HG2 ILE 29 7.077 2.337 3.754
194 HG22 ILE 29 2HG2 ILE 29 7.168 3.905 4.554
195 HG23 ILE 29 3HG2 ILE 29 7.398 2.426 5.486
196 HD11 ILE 29 3HD1 ILE 29 5.463 5.358 5.167
197 HD12 ILE 29 1HD1 ILE 29 5.702 5.510 3.426
198 HD13 ILE 29 2HD1 ILE 29 4.122 5.849 4.132
199 H GLU 30 H GLU 30 4.547 0.988 7.256
200 HA GLU 30 HA GLU 30 7.037 -0.286 7.788
201 HB2 GLU 30 1HB GLU 30 4.519 0.098 9.392
202 HB3 GLU 30 2HB GLU 30 5.875 -0.831 10.015
203 HG2 GLU 30 1HG GLU 30 5.905 2.067 9.208
204 HG3 GLU 30 2HG GLU 30 5.969 1.425 10.848
205 H HIS 31 H HIS 31 3.795 -1.417 7.091
206 HA HIS 31 HA HIS 31 4.212 -4.125 7.834
207 HB2 HIS 31 1HB HIS 31 1.960 -3.530 7.698
208 HB3 HIS 31 2HB HIS 31 2.173 -2.688 6.166
209 HD1 HIS 31 HD1 HIS 31 1.526 -6.052 7.618
210 HD2 HIS 31 HD2 HIS 31 2.133 -4.342 3.880
211 HE1 HIS 31 HE1 HIS 31 0.842 -7.810 5.955
212 H GLN 32 H GLN 32 4.265 -2.467 4.686
213 HA GLN 32 HA GLN 32 4.768 -4.570 3.009
214 HB2 GLN 32 1HB GLN 32 5.861 -1.760 2.940
215 HB3 GLN 32 2HB GLN 32 6.101 -2.909 1.630
216 HG2 GLN 32 1HG GLN 32 3.611 -3.119 1.481
217 HG3 GLN 32 2HG GLN 32 3.499 -1.783 2.626
218 HE21 GLN 32 1HE2 GLN 32 2.567 -1.944 -0.123
219 HE22 GLN 32 2HE2 GLN 32 3.346 -0.658 -0.974
220 H ALA 33 H ALA 33 7.125 -2.787 4.963
221 HA ALA 33 HA ALA 33 9.501 -3.789 4.102
222 HB1 ALA 33 3HB ALA 33 9.614 -2.223 5.826
223 HB2 ALA 33 1HB ALA 33 8.545 -3.157 6.873
224 HB3 ALA 33 2HB ALA 33 10.193 -3.711 6.574
225 H LEU 34 H LEU 34 7.064 -5.472 5.981
226 HA LEU 34 HA LEU 34 8.573 -7.683 6.797
227 HB2 LEU 34 1HB LEU 34 6.588 -8.647 7.425
228 HB3 LEU 34 2HB LEU 34 6.156 -6.938 7.395
229 HG LEU 34 HG LEU 34 5.311 -7.441 4.999
230 HD11 LEU 34 1HD1 LEU 34 4.396 -10.012 5.443
231 HD12 LEU 34 2HD1 LEU 34 6.091 -10.074 5.925
232 HD13 LEU 34 3HD1 LEU 34 5.654 -9.527 4.306
233 HD21 LEU 34 3HD2 LEU 34 3.164 -8.436 6.068
234 HD22 LEU 34 1HD2 LEU 34 3.694 -6.819 6.529
235 HD23 LEU 34 2HD2 LEU 34 4.020 -8.189 7.591
236 H HIS 35 H HIS 35 6.781 -7.073 3.813
237 HA HIS 35 HA HIS 35 7.153 -9.654 2.702
238 HB2 HIS 35 1HB HIS 35 6.512 -6.981 1.454
239 HB3 HIS 35 2HB HIS 35 6.602 -8.474 0.525
240 HD1 HIS 35 HD1 HIS 35 5.048 -10.441 2.098
241 HD2 HIS 35 HD2 HIS 35 3.894 -6.459 1.821
242 HE1 HIS 35 HE1 HIS 35 2.587 -10.416 2.616
243 H ALA 36 H ALA 36 8.760 -6.554 1.971
244 HA ALA 36 HA ALA 36 10.760 -7.776 0.344
245 HB1 ALA 36 3HB ALA 36 11.785 -5.328 1.042
246 HB2 ALA 36 1HB ALA 36 10.735 -5.650 -0.338
247 HB3 ALA 36 2HB ALA 36 10.045 -5.078 1.182
248 H GLY 37 H GLY 37 12.279 -9.072 1.149
249 HA2 GLY 37 1HA GLY 37 14.380 -9.219 2.317
250 HA3 GLY 37 2HA GLY 37 13.707 -8.183 3.567
251 H GLU 38 H GLU 38 13.583 -11.416 2.165
252 HA GLU 38 HA GLU 38 11.978 -12.472 4.308
253 HB2 GLU 38 1HB GLU 38 12.510 -14.680 3.229
254 HB3 GLU 38 2HB GLU 38 11.724 -13.512 2.177
255 HG2 GLU 38 1HG GLU 38 14.693 -13.654 2.183
256 HG3 GLU 38 2HG GLU 38 13.780 -14.917 1.360
257 H SER 39 H SER 39 12.631 -13.521 6.105
258 HA SER 39 HA SER 39 15.400 -14.354 6.403
259 HB2 SER 39 1HB SER 39 14.142 -12.319 8.260
260 HB3 SER 39 2HB SER 39 15.709 -13.091 8.501
261 HG SER 39 HG SER 39 14.960 -11.091 6.722
262 H GLY 40 H GLY 40 15.754 -15.669 8.315
263 HA2 GLY 40 1HA GLY 40 13.808 -16.416 10.157
264 HA3 GLY 40 2HA GLY 40 13.623 -17.481 8.771
265 HA PRO 41 HA PRO 41 17.987 -18.251 10.787
266 HB2 PRO 41 1HB PRO 41 18.152 -17.523 13.397
267 HB3 PRO 41 2HB PRO 41 18.613 -16.451 12.069
268 HG2 PRO 41 1HG PRO 41 16.071 -16.524 13.648
269 HG3 PRO 41 2HG PRO 41 17.026 -15.123 13.129
270 HD2 PRO 41 1HD PRO 41 14.784 -15.919 11.836
271 HD3 PRO 41 2HD PRO 41 16.152 -15.159 10.997
272 H SER 42 H SER 42 14.862 -18.687 12.095
273 HA SER 42 HA SER 42 14.978 -20.400 14.151
274 HB2 SER 42 1HB SER 42 13.294 -20.569 11.658
275 HB3 SER 42 2HB SER 42 13.087 -21.709 12.988
276 HG SER 42 HG SER 42 12.032 -19.331 12.784
277 H SER 43 H SER 43 15.290 -21.514 10.776
278 HA SER 43 HA SER 43 17.229 -23.511 11.617
279 HB2 SER 43 1HB SER 43 16.043 -25.401 10.770
280 HB3 SER 43 2HB SER 43 14.917 -24.541 11.819
281 HG SER 43 HG SER 43 13.945 -23.661 9.989
282 H GLY 44 H GLY 44 18.813 -23.651 10.165
283 HA2 GLY 44 1HA GLY 44 18.566 -22.225 7.660
284 HA3 GLY 44 2HA GLY 44 20.018 -22.989 8.291
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -12.731 -19.263 15.715
2 HA2 GLY 1 1HA GLY 1 -11.713 -17.343 14.771
3 HA3 GLY 1 2HA GLY 1 -10.651 -18.655 14.281
4 H SER 2 H SER 2 -13.615 -16.982 13.235
5 HA SER 2 HA SER 2 -12.991 -17.620 10.458
6 HB2 SER 2 1HB SER 2 -15.384 -16.228 11.685
7 HB3 SER 2 2HB SER 2 -15.211 -16.623 9.975
8 HG SER 2 HG SER 2 -14.939 -18.862 10.748
9 H SER 3 H SER 3 -11.545 -16.327 9.527
10 HA SER 3 HA SER 3 -11.138 -13.611 10.332
11 HB2 SER 3 1HB SER 3 -10.044 -15.216 8.013
12 HB3 SER 3 2HB SER 3 -9.546 -13.566 8.386
13 HG SER 3 HG SER 3 -8.110 -14.963 9.363
14 H GLY 4 H GLY 4 -11.658 -11.727 9.261
15 HA2 GLY 4 1HA GLY 4 -12.473 -11.076 6.843
16 HA3 GLY 4 2HA GLY 4 -13.890 -11.963 7.384
17 H SER 5 H SER 5 -11.727 -9.361 8.505
18 HA SER 5 HA SER 5 -13.854 -8.175 10.060
19 HB2 SER 5 1HB SER 5 -11.281 -8.209 10.564
20 HB3 SER 5 2HB SER 5 -11.248 -6.796 9.509
21 HG SER 5 HG SER 5 -12.234 -5.657 10.995
22 H SER 6 H SER 6 -14.269 -5.783 9.830
23 HA SER 6 HA SER 6 -15.236 -5.265 7.206
24 HB2 SER 6 1HB SER 6 -15.002 -3.335 9.527
25 HB3 SER 6 2HB SER 6 -16.045 -3.161 8.115
26 HG SER 6 HG SER 6 -17.304 -4.805 8.832
27 H GLY 7 H GLY 7 -14.482 -3.937 5.620
28 HA2 GLY 7 1HA GLY 7 -12.406 -2.030 5.993
29 HA3 GLY 7 2HA GLY 7 -11.759 -3.518 5.318
30 H ALA 8 H ALA 8 -14.752 -1.662 4.765
31 HA ALA 8 HA ALA 8 -14.168 -1.783 1.882
32 HB1 ALA 8 3HB ALA 8 -16.843 -1.307 3.186
33 HB2 ALA 8 1HB ALA 8 -16.523 -1.610 1.478
34 HB3 ALA 8 2HB ALA 8 -16.257 -2.887 2.665
35 H ALA 9 H ALA 9 -13.631 0.040 0.886
36 HA ALA 9 HA ALA 9 -14.850 2.554 1.495
37 HB1 ALA 9 3HB ALA 9 -12.079 3.135 1.799
38 HB2 ALA 9 1HB ALA 9 -13.401 3.419 2.932
39 HB3 ALA 9 2HB ALA 9 -12.526 1.888 2.963
40 H LYS 10 H LYS 10 -14.130 4.270 0.053
41 HA LYS 10 HA LYS 10 -13.967 3.564 -2.584
42 HB2 LYS 10 1HB LYS 10 -14.351 5.878 -1.509
43 HB3 LYS 10 2HB LYS 10 -12.602 6.047 -1.571
44 HG2 LYS 10 1HG LYS 10 -12.645 5.761 -3.988
45 HG3 LYS 10 2HG LYS 10 -14.398 5.554 -3.939
46 HD2 LYS 10 1HD LYS 10 -13.013 8.019 -2.905
47 HD3 LYS 10 2HD LYS 10 -13.562 7.858 -4.575
48 HE2 LYS 10 1HE LYS 10 -15.849 7.441 -3.748
49 HE3 LYS 10 2HE LYS 10 -15.277 7.689 -2.099
50 HZ1 LYS 10 3HZ LYS 10 -16.264 9.700 -2.896
51 HZ2 LYS 10 1HZ LYS 10 -15.302 9.694 -4.288
52 HZ3 LYS 10 2HZ LYS 10 -14.596 9.949 -2.772
53 H THR 11 H THR 11 -11.215 4.547 -0.541
54 HA THR 11 HA THR 11 -9.474 2.684 -1.870
55 HB THR 11 HB THR 11 -9.290 4.394 -3.526
56 HG1 THR 11 HG1 THR 11 -7.251 3.782 -3.291
57 HG21 THR 11 3HG2 THR 11 -8.244 6.561 -1.910
58 HG22 THR 11 1HG2 THR 11 -9.897 6.148 -1.456
59 HG23 THR 11 2HG2 THR 11 -9.522 6.580 -3.125
60 H THR 12 H THR 12 -7.827 2.086 -0.570
61 HA THR 12 HA THR 12 -6.982 3.829 1.610
62 HB THR 12 HB THR 12 -7.884 1.000 2.169
63 HG1 THR 12 HG1 THR 12 -9.737 2.177 1.859
64 HG21 THR 12 3HG2 THR 12 -6.246 1.561 3.748
65 HG22 THR 12 1HG2 THR 12 -7.766 1.940 4.558
66 HG23 THR 12 2HG2 THR 12 -6.793 3.234 3.856
67 H SER 13 H SER 13 -5.080 2.911 2.781
68 HA SER 13 HA SER 13 -3.174 1.939 0.870
69 HB2 SER 13 1HB SER 13 -2.616 2.135 3.815
70 HB3 SER 13 2HB SER 13 -1.536 2.443 2.456
71 HG SER 13 HG SER 13 -3.296 4.125 3.720
72 H GLU 14 H GLU 14 -4.459 -0.090 0.514
73 HA GLU 14 HA GLU 14 -4.099 -2.111 2.590
74 HB2 GLU 14 1HB GLU 14 -6.256 -2.229 1.673
75 HB3 GLU 14 2HB GLU 14 -5.669 -2.001 0.031
76 HG2 GLU 14 1HG GLU 14 -4.605 -4.239 0.159
77 HG3 GLU 14 2HG GLU 14 -5.362 -4.460 1.736
78 H CYS 15 H CYS 15 -2.861 -3.945 2.346
79 HA CYS 15 HA CYS 15 -0.652 -3.726 0.510
80 HB2 CYS 15 1HB CYS 15 -0.513 -4.528 2.927
81 HB3 CYS 15 2HB CYS 15 -1.225 -6.037 2.362
82 H GLN 16 H GLN 16 -0.921 -4.315 -1.541
83 HA GLN 16 HA GLN 16 -2.887 -6.191 -2.392
84 HB2 GLN 16 1HB GLN 16 -1.794 -5.940 -4.622
85 HB3 GLN 16 2HB GLN 16 -2.263 -4.415 -3.882
86 HG2 GLN 16 1HG GLN 16 -0.043 -3.867 -3.349
87 HG3 GLN 16 2HG GLN 16 0.519 -5.511 -3.651
88 HE21 GLN 16 1HE2 GLN 16 1.975 -5.156 -5.223
89 HE22 GLN 16 2HE2 GLN 16 1.608 -4.463 -6.762
90 H GLU 17 H GLU 17 0.243 -6.527 -1.142
91 HA GLU 17 HA GLU 17 1.005 -8.902 -2.538
92 HB2 GLU 17 1HB GLU 17 2.020 -7.421 -0.146
93 HB3 GLU 17 2HB GLU 17 2.574 -9.065 -0.431
94 HG2 GLU 17 1HG GLU 17 2.699 -7.131 -2.680
95 HG3 GLU 17 2HG GLU 17 3.874 -6.982 -1.374
96 H CYS 18 H CYS 18 -0.538 -8.211 0.564
97 HA CYS 18 HA CYS 18 -1.149 -11.083 0.814
98 HB2 CYS 18 1HB CYS 18 -1.215 -10.742 3.262
99 HB3 CYS 18 2HB CYS 18 0.371 -10.388 2.584
100 H GLY 19 H GLY 19 -2.303 -7.798 1.512
101 HA2 GLY 19 1HA GLY 19 -4.570 -7.248 0.754
102 HA3 GLY 19 2HA GLY 19 -5.058 -8.845 1.302
103 H LYS 20 H LYS 20 -2.978 -6.554 3.005
104 HA LYS 20 HA LYS 20 -4.933 -6.546 5.199
105 HB2 LYS 20 1HB LYS 20 -2.406 -7.285 5.406
106 HB3 LYS 20 2HB LYS 20 -2.135 -5.551 5.531
107 HG2 LYS 20 1HG LYS 20 -3.238 -5.386 7.544
108 HG3 LYS 20 2HG LYS 20 -4.190 -6.846 7.263
109 HD2 LYS 20 1HD LYS 20 -2.511 -8.237 7.957
110 HD3 LYS 20 2HD LYS 20 -1.235 -7.119 7.469
111 HE2 LYS 20 1HE LYS 20 -1.613 -5.739 9.376
112 HE3 LYS 20 2HE LYS 20 -3.084 -6.617 9.793
113 HZ1 LYS 20 3HZ LYS 20 -1.883 -8.007 11.001
114 HZ2 LYS 20 1HZ LYS 20 -0.478 -7.139 10.635
115 HZ3 LYS 20 2HZ LYS 20 -0.950 -8.435 9.656
116 H ILE 21 H ILE 21 -6.161 -4.797 5.339
117 HA ILE 21 HA ILE 21 -5.526 -2.364 3.977
118 HB ILE 21 HB ILE 21 -7.727 -2.995 5.946
119 HG12 ILE 21 1HG1 ILE 21 -8.999 -2.688 3.630
120 HG13 ILE 21 2HG1 ILE 21 -7.436 -3.174 2.982
121 HG21 ILE 21 1HG2 ILE 21 -7.287 -0.564 4.220
122 HG22 ILE 21 2HG2 ILE 21 -8.793 -0.934 5.058
123 HG23 ILE 21 3HG2 ILE 21 -7.323 -0.628 5.982
124 HD11 ILE 21 3HD1 ILE 21 -8.346 -4.880 5.153
125 HD12 ILE 21 1HD1 ILE 21 -9.445 -4.855 3.774
126 HD13 ILE 21 2HD1 ILE 21 -7.754 -5.300 3.546
127 H PHE 22 H PHE 22 -4.914 -0.397 4.805
128 HA PHE 22 HA PHE 22 -4.282 -0.269 7.670
129 HB2 PHE 22 1HB PHE 22 -2.432 0.492 5.403
130 HB3 PHE 22 2HB PHE 22 -2.146 0.895 7.093
131 HD1 PHE 22 HD1 PHE 22 -1.700 -0.898 8.731
132 HD2 PHE 22 HD2 PHE 22 -1.995 -1.678 4.557
133 HE1 PHE 22 HE1 PHE 22 -0.586 -3.067 9.061
134 HE2 PHE 22 HE2 PHE 22 -0.882 -3.849 4.881
135 HZ PHE 22 HZ PHE 22 -0.177 -4.546 7.135
136 H ARG 23 H ARG 23 -4.764 1.625 8.634
137 HA ARG 23 HA ARG 23 -6.534 3.423 7.591
138 HB2 ARG 23 1HB ARG 23 -5.631 3.151 10.010
139 HB3 ARG 23 2HB ARG 23 -4.438 4.350 9.531
140 HG2 ARG 23 1HG ARG 23 -6.165 5.541 10.587
141 HG3 ARG 23 2HG ARG 23 -6.376 5.824 8.858
142 HD2 ARG 23 1HD ARG 23 -8.215 4.376 8.733
143 HD3 ARG 23 2HD ARG 23 -7.833 3.619 10.280
144 HE ARG 23 HE ARG 23 -8.416 6.397 10.560
145 HH11 ARG 23 1HH1 ARG 23 -9.860 3.252 10.184
146 HH12 ARG 23 2HH1 ARG 23 -11.345 3.697 10.959
147 HH21 ARG 23 1HH2 ARG 23 -10.366 6.996 11.581
148 HH22 ARG 23 2HH2 ARG 23 -11.631 5.827 11.753
149 H HIS 24 H HIS 24 -3.129 4.329 8.139
150 HA HIS 24 HA HIS 24 -3.306 6.044 5.751
151 HB2 HIS 24 1HB HIS 24 -1.256 7.170 6.944
152 HB3 HIS 24 2HB HIS 24 -2.897 7.545 7.463
153 HD2 HIS 24 HD2 HIS 24 -3.670 6.171 9.899
154 HE1 HIS 24 HE1 HIS 24 0.353 5.530 11.081
155 HE2 HIS 24 HE2 HIS 24 -2.063 5.423 11.783
156 H SER 25 H SER 25 -1.620 6.059 4.271
157 HA SER 25 HA SER 25 -0.448 3.789 3.465
158 HB2 SER 25 1HB SER 25 0.734 6.570 3.347
159 HB3 SER 25 2HB SER 25 1.393 5.195 2.460
160 HG SER 25 HG SER 25 -0.950 6.632 2.040
161 H SER 26 H SER 26 1.125 6.090 5.683
162 HA SER 26 HA SER 26 3.524 5.021 6.164
163 HB2 SER 26 1HB SER 26 1.658 5.748 8.431
164 HB3 SER 26 2HB SER 26 3.420 5.822 8.438
165 HG SER 26 HG SER 26 1.572 7.484 7.120
166 H LEU 27 H LEU 27 0.749 3.959 8.140
167 HA LEU 27 HA LEU 27 1.811 1.844 9.437
168 HB2 LEU 27 1HB LEU 27 -0.897 2.268 8.252
169 HB3 LEU 27 2HB LEU 27 -0.516 0.732 9.027
170 HG LEU 27 HG LEU 27 -0.207 3.371 10.438
171 HD11 LEU 27 1HD1 LEU 27 -2.455 2.223 11.484
172 HD12 LEU 27 2HD1 LEU 27 -2.641 1.909 9.758
173 HD13 LEU 27 3HD1 LEU 27 -2.430 3.562 10.336
174 HD21 LEU 27 3HD2 LEU 27 -0.717 0.664 11.626
175 HD22 LEU 27 1HD2 LEU 27 -0.054 2.107 12.395
176 HD23 LEU 27 2HD2 LEU 27 0.914 1.206 11.228
177 H LEU 28 H LEU 28 0.581 1.780 6.110
178 HA LEU 28 HA LEU 28 1.125 -0.975 5.684
179 HB2 LEU 28 1HB LEU 28 -0.471 -0.042 4.261
180 HB3 LEU 28 2HB LEU 28 0.541 1.352 3.891
181 HG LEU 28 HG LEU 28 2.055 -0.233 2.635
182 HD11 LEU 28 1HD1 LEU 28 1.469 -2.402 2.208
183 HD12 LEU 28 2HD1 LEU 28 -0.249 -2.109 2.475
184 HD13 LEU 28 3HD1 LEU 28 0.849 -2.228 3.850
185 HD21 LEU 28 3HD2 LEU 28 -0.785 0.052 1.657
186 HD22 LEU 28 1HD2 LEU 28 0.635 -0.255 0.657
187 HD23 LEU 28 2HD2 LEU 28 0.480 1.275 1.522
188 H ILE 29 H ILE 29 2.984 1.963 5.307
189 HA ILE 29 HA ILE 29 5.045 0.994 3.673
190 HB ILE 29 HB ILE 29 5.211 3.095 5.838
191 HG12 ILE 29 1HG1 ILE 29 4.641 3.298 2.873
192 HG13 ILE 29 2HG1 ILE 29 3.519 3.649 4.183
193 HG21 ILE 29 1HG2 ILE 29 7.212 1.945 4.119
194 HG22 ILE 29 2HG2 ILE 29 7.013 3.663 3.780
195 HG23 ILE 29 3HG2 ILE 29 7.392 3.126 5.416
196 HD11 ILE 29 3HD1 ILE 29 4.212 5.743 3.514
197 HD12 ILE 29 1HD1 ILE 29 5.266 5.411 4.888
198 HD13 ILE 29 2HD1 ILE 29 5.875 5.220 3.244
199 H GLU 30 H GLU 30 4.647 0.944 7.189
200 HA GLU 30 HA GLU 30 7.208 -0.237 7.679
201 HB2 GLU 30 1HB GLU 30 4.757 0.146 9.394
202 HB3 GLU 30 2HB GLU 30 6.210 -0.649 9.984
203 HG2 GLU 30 1HG GLU 30 5.949 2.192 9.035
204 HG3 GLU 30 2HG GLU 30 6.243 1.635 10.681
205 H HIS 31 H HIS 31 3.955 -1.427 7.167
206 HA HIS 31 HA HIS 31 4.456 -4.098 8.019
207 HB2 HIS 31 1HB HIS 31 2.191 -3.513 8.019
208 HB3 HIS 31 2HB HIS 31 2.285 -2.771 6.425
209 HD1 HIS 31 HD1 HIS 31 1.872 -6.070 8.124
210 HD2 HIS 31 HD2 HIS 31 2.020 -4.538 4.264
211 HE1 HIS 31 HE1 HIS 31 1.075 -7.930 6.631
212 H GLN 32 H GLN 32 4.488 -2.470 4.878
213 HA GLN 32 HA GLN 32 4.839 -4.675 3.229
214 HB2 GLN 32 1HB GLN 32 5.729 -1.814 3.009
215 HB3 GLN 32 2HB GLN 32 6.135 -2.984 1.761
216 HG2 GLN 32 1HG GLN 32 3.543 -3.466 1.864
217 HG3 GLN 32 2HG GLN 32 3.507 -1.819 2.492
218 HE21 GLN 32 1HE2 GLN 32 2.393 -1.111 0.657
219 HE22 GLN 32 2HE2 GLN 32 3.188 -0.895 -0.862
220 H ALA 33 H ALA 33 7.280 -2.729 4.914
221 HA ALA 33 HA ALA 33 9.616 -3.720 3.956
222 HB1 ALA 33 3HB ALA 33 9.065 -2.103 5.970
223 HB2 ALA 33 1HB ALA 33 9.396 -3.555 6.916
224 HB3 ALA 33 2HB ALA 33 10.629 -2.907 5.833
225 H LEU 34 H LEU 34 7.455 -5.322 6.247
226 HA LEU 34 HA LEU 34 9.054 -7.466 6.984
227 HB2 LEU 34 1HB LEU 34 7.152 -8.452 7.818
228 HB3 LEU 34 2HB LEU 34 6.686 -6.753 7.759
229 HG LEU 34 HG LEU 34 5.685 -7.423 5.431
230 HD11 LEU 34 1HD1 LEU 34 5.884 -9.576 4.927
231 HD12 LEU 34 2HD1 LEU 34 4.757 -9.915 6.240
232 HD13 LEU 34 3HD1 LEU 34 6.495 -9.964 6.536
233 HD21 LEU 34 3HD2 LEU 34 3.961 -8.557 7.482
234 HD22 LEU 34 1HD2 LEU 34 3.732 -7.131 6.469
235 HD23 LEU 34 2HD2 LEU 34 4.670 -7.013 7.958
236 H HIS 35 H HIS 35 7.032 -7.043 4.122
237 HA HIS 35 HA HIS 35 7.335 -9.674 3.121
238 HB2 HIS 35 1HB HIS 35 6.630 -7.067 1.769
239 HB3 HIS 35 2HB HIS 35 6.638 -8.615 0.929
240 HD1 HIS 35 HD1 HIS 35 5.146 -10.476 2.621
241 HD2 HIS 35 HD2 HIS 35 4.080 -6.467 2.387
242 HE1 HIS 35 HE1 HIS 35 2.736 -10.379 3.332
243 H ALA 36 H ALA 36 9.076 -6.650 2.491
244 HA ALA 36 HA ALA 36 10.917 -7.956 0.680
245 HB1 ALA 36 3HB ALA 36 10.045 -5.491 0.635
246 HB2 ALA 36 1HB ALA 36 11.381 -5.212 1.752
247 HB3 ALA 36 2HB ALA 36 11.697 -5.862 0.143
248 H GLY 37 H GLY 37 10.959 -9.187 3.169
249 HA2 GLY 37 1HA GLY 37 13.486 -8.242 4.363
250 HA3 GLY 37 2HA GLY 37 12.281 -9.208 5.201
251 H GLU 38 H GLU 38 13.811 -10.774 5.782
252 HA GLU 38 HA GLU 38 14.566 -12.556 3.569
253 HB2 GLU 38 1HB GLU 38 16.713 -13.008 4.622
254 HB3 GLU 38 2HB GLU 38 16.553 -11.290 4.284
255 HG2 GLU 38 1HG GLU 38 16.141 -10.792 6.567
256 HG3 GLU 38 2HG GLU 38 15.978 -12.500 6.973
257 H SER 39 H SER 39 12.280 -12.768 5.207
258 HA SER 39 HA SER 39 12.907 -15.261 6.637
259 HB2 SER 39 1HB SER 39 12.468 -13.277 8.180
260 HB3 SER 39 2HB SER 39 10.807 -13.311 7.588
261 HG SER 39 HG SER 39 10.640 -14.656 9.231
262 H GLY 40 H GLY 40 11.379 -16.896 6.496
263 HA2 GLY 40 1HA GLY 40 9.154 -17.668 5.948
264 HA3 GLY 40 2HA GLY 40 9.040 -16.356 4.784
265 HA PRO 41 HA PRO 41 10.518 -20.448 2.852
266 HB2 PRO 41 1HB PRO 41 8.213 -21.147 1.599
267 HB3 PRO 41 2HB PRO 41 8.617 -21.680 3.235
268 HG2 PRO 41 1HG PRO 41 6.832 -19.442 2.359
269 HG3 PRO 41 2HG PRO 41 6.576 -20.642 3.639
270 HD2 PRO 41 1HD PRO 41 7.409 -18.117 4.154
271 HD3 PRO 41 2HD PRO 41 7.904 -19.506 5.143
272 H SER 42 H SER 42 10.314 -20.968 0.431
273 HA SER 42 HA SER 42 10.574 -18.447 -1.023
274 HB2 SER 42 1HB SER 42 11.418 -21.273 -1.686
275 HB3 SER 42 2HB SER 42 11.589 -19.921 -2.805
276 HG SER 42 HG SER 42 12.600 -19.583 -0.233
277 H SER 43 H SER 43 9.883 -18.580 -3.405
278 HA SER 43 HA SER 43 7.117 -19.568 -3.458
279 HB2 SER 43 1HB SER 43 6.781 -17.921 -5.285
280 HB3 SER 43 2HB SER 43 7.328 -17.163 -3.790
281 HG SER 43 HG SER 43 8.783 -17.662 -6.157
282 H GLY 44 H GLY 44 10.111 -20.453 -4.495
283 HA2 GLY 44 1HA GLY 44 10.436 -22.433 -5.783
284 HA3 GLY 44 2HA GLY 44 8.952 -22.073 -6.654
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -7.213 -16.375 11.455
2 HA2 GLY 1 1HA GLY 1 -4.620 -15.185 12.033
3 HA3 GLY 1 2HA GLY 1 -4.927 -15.564 10.345
4 H SER 2 H SER 2 -6.609 -14.458 9.239
5 HA SER 2 HA SER 2 -7.535 -12.008 10.587
6 HB2 SER 2 1HB SER 2 -7.239 -10.796 8.452
7 HB3 SER 2 2HB SER 2 -5.711 -11.432 9.062
8 HG SER 2 HG SER 2 -6.011 -13.212 7.606
9 H SER 3 H SER 3 -9.669 -11.908 10.666
10 HA SER 3 HA SER 3 -11.313 -12.451 8.391
11 HB2 SER 3 1HB SER 3 -12.678 -14.236 9.549
12 HB3 SER 3 2HB SER 3 -11.074 -14.750 9.027
13 HG SER 3 HG SER 3 -10.355 -14.497 11.155
14 H GLY 4 H GLY 4 -13.613 -12.031 8.834
15 HA2 GLY 4 1HA GLY 4 -15.355 -10.983 9.956
16 HA3 GLY 4 2HA GLY 4 -14.318 -10.838 11.367
17 H SER 5 H SER 5 -13.969 -9.645 8.033
18 HA SER 5 HA SER 5 -14.536 -6.950 8.637
19 HB2 SER 5 1HB SER 5 -12.395 -7.211 9.921
20 HB3 SER 5 2HB SER 5 -11.579 -7.545 8.394
21 HG SER 5 HG SER 5 -12.753 -5.394 7.837
22 H SER 6 H SER 6 -15.239 -6.207 6.759
23 HA SER 6 HA SER 6 -14.646 -7.487 4.288
24 HB2 SER 6 1HB SER 6 -16.814 -6.450 4.626
25 HB3 SER 6 2HB SER 6 -16.061 -4.877 4.884
26 HG SER 6 HG SER 6 -16.949 -5.430 2.695
27 H GLY 7 H GLY 7 -13.805 -6.352 2.364
28 HA2 GLY 7 1HA GLY 7 -11.448 -4.759 3.113
29 HA3 GLY 7 2HA GLY 7 -11.615 -5.705 1.641
30 H ALA 8 H ALA 8 -13.994 -3.462 2.964
31 HA ALA 8 HA ALA 8 -14.256 -2.129 0.451
32 HB1 ALA 8 3HB ALA 8 -15.815 -2.398 2.738
33 HB2 ALA 8 1HB ALA 8 -15.424 -0.680 2.658
34 HB3 ALA 8 2HB ALA 8 -16.207 -1.471 1.290
35 H ALA 9 H ALA 9 -14.174 0.300 0.313
36 HA ALA 9 HA ALA 9 -13.073 2.295 0.471
37 HB1 ALA 9 3HB ALA 9 -11.447 1.573 2.820
38 HB2 ALA 9 1HB ALA 9 -12.419 3.011 2.506
39 HB3 ALA 9 2HB ALA 9 -13.195 1.523 3.048
40 H LYS 10 H LYS 10 -12.097 0.557 -1.301
41 HA LYS 10 HA LYS 10 -9.532 -0.391 -1.144
42 HB2 LYS 10 1HB LYS 10 -11.218 -0.476 -3.097
43 HB3 LYS 10 2HB LYS 10 -10.495 1.044 -3.605
44 HG2 LYS 10 1HG LYS 10 -8.301 -0.059 -3.718
45 HG3 LYS 10 2HG LYS 10 -9.065 -1.585 -3.269
46 HD2 LYS 10 1HD LYS 10 -8.895 -1.666 -5.609
47 HD3 LYS 10 2HD LYS 10 -10.576 -1.228 -5.296
48 HE2 LYS 10 1HE LYS 10 -9.972 0.259 -6.965
49 HE3 LYS 10 2HE LYS 10 -9.721 1.208 -5.501
50 HZ1 LYS 10 3HZ LYS 10 -7.655 1.535 -6.190
51 HZ2 LYS 10 1HZ LYS 10 -7.841 0.459 -7.483
52 HZ3 LYS 10 2HZ LYS 10 -7.344 -0.114 -5.971
53 H THR 11 H THR 11 -10.542 2.911 -1.956
54 HA THR 11 HA THR 11 -8.211 4.108 -2.653
55 HB THR 11 HB THR 11 -10.321 5.338 -2.503
56 HG1 THR 11 HG1 THR 11 -8.409 6.571 -2.511
57 HG21 THR 11 3HG2 THR 11 -10.573 4.285 -0.010
58 HG22 THR 11 1HG2 THR 11 -11.501 5.660 -0.608
59 HG23 THR 11 2HG2 THR 11 -10.055 5.929 0.365
60 H THR 12 H THR 12 -8.970 2.743 0.420
61 HA THR 12 HA THR 12 -7.095 4.166 2.002
62 HB THR 12 HB THR 12 -7.986 1.342 2.557
63 HG1 THR 12 HG1 THR 12 -9.709 2.667 3.762
64 HG21 THR 12 3HG2 THR 12 -7.187 3.690 4.272
65 HG22 THR 12 1HG2 THR 12 -6.362 2.140 4.114
66 HG23 THR 12 2HG2 THR 12 -7.931 2.227 4.914
67 H SER 13 H SER 13 -5.153 3.225 2.992
68 HA SER 13 HA SER 13 -3.403 2.182 0.985
69 HB2 SER 13 1HB SER 13 -2.668 2.294 3.892
70 HB3 SER 13 2HB SER 13 -1.665 2.611 2.476
71 HG SER 13 HG SER 13 -3.395 4.426 2.252
72 H GLU 14 H GLU 14 -4.565 0.182 0.554
73 HA GLU 14 HA GLU 14 -4.321 -1.876 2.619
74 HB2 GLU 14 1HB GLU 14 -6.463 -1.935 1.662
75 HB3 GLU 14 2HB GLU 14 -5.842 -1.693 0.035
76 HG2 GLU 14 1HG GLU 14 -4.807 -3.958 0.176
77 HG3 GLU 14 2HG GLU 14 -5.650 -4.184 1.707
78 H CYS 15 H CYS 15 -3.070 -3.688 2.401
79 HA CYS 15 HA CYS 15 -0.853 -3.496 0.572
80 HB2 CYS 15 1HB CYS 15 -0.769 -4.301 3.007
81 HB3 CYS 15 2HB CYS 15 -1.432 -5.817 2.404
82 H GLN 16 H GLN 16 -1.171 -4.060 -1.485
83 HA GLN 16 HA GLN 16 -3.128 -5.934 -2.335
84 HB2 GLN 16 1HB GLN 16 -2.136 -5.658 -4.559
85 HB3 GLN 16 2HB GLN 16 -2.390 -4.104 -3.776
86 HG2 GLN 16 1HG GLN 16 -0.301 -3.767 -4.579
87 HG3 GLN 16 2HG GLN 16 0.113 -4.483 -3.022
88 HE21 GLN 16 1HE2 GLN 16 -0.368 -5.212 -6.434
89 HE22 GLN 16 2HE2 GLN 16 0.717 -6.555 -6.488
90 H GLU 17 H GLU 17 0.047 -6.268 -1.142
91 HA GLU 17 HA GLU 17 0.823 -8.629 -2.505
92 HB2 GLU 17 1HB GLU 17 1.718 -7.222 -0.025
93 HB3 GLU 17 2HB GLU 17 2.275 -8.863 -0.318
94 HG2 GLU 17 1HG GLU 17 2.559 -6.712 -2.384
95 HG3 GLU 17 2HG GLU 17 3.751 -6.941 -1.106
96 H CYS 18 H CYS 18 -0.750 -8.059 0.623
97 HA CYS 18 HA CYS 18 -1.471 -10.917 0.684
98 HB2 CYS 18 1HB CYS 18 -1.588 -10.663 3.171
99 HB3 CYS 18 2HB CYS 18 0.030 -10.461 2.508
100 H GLY 19 H GLY 19 -2.518 -7.625 1.463
101 HA2 GLY 19 1HA GLY 19 -4.769 -6.990 0.739
102 HA3 GLY 19 2HA GLY 19 -5.306 -8.581 1.258
103 H LYS 20 H LYS 20 -3.167 -6.344 2.971
104 HA LYS 20 HA LYS 20 -5.089 -6.353 5.195
105 HB2 LYS 20 1HB LYS 20 -2.571 -7.113 5.362
106 HB3 LYS 20 2HB LYS 20 -2.274 -5.384 5.485
107 HG2 LYS 20 1HG LYS 20 -3.301 -5.210 7.526
108 HG3 LYS 20 2HG LYS 20 -4.330 -6.618 7.249
109 HD2 LYS 20 1HD LYS 20 -2.459 -8.105 7.564
110 HD3 LYS 20 2HD LYS 20 -1.346 -6.740 7.682
111 HE2 LYS 20 1HE LYS 20 -1.784 -7.514 9.896
112 HE3 LYS 20 2HE LYS 20 -2.622 -5.977 9.690
113 HZ1 LYS 20 3HZ LYS 20 -4.104 -8.430 9.106
114 HZ2 LYS 20 1HZ LYS 20 -4.651 -6.966 9.755
115 HZ3 LYS 20 2HZ LYS 20 -3.807 -8.061 10.730
116 H ILE 21 H ILE 21 -6.268 -4.588 5.468
117 HA ILE 21 HA ILE 21 -5.638 -2.137 4.105
118 HB ILE 21 HB ILE 21 -7.836 -2.743 6.086
119 HG12 ILE 21 1HG1 ILE 21 -9.181 -2.603 3.855
120 HG13 ILE 21 2HG1 ILE 21 -7.625 -2.921 3.096
121 HG21 ILE 21 1HG2 ILE 21 -7.276 -0.352 4.357
122 HG22 ILE 21 2HG2 ILE 21 -8.889 -0.712 4.968
123 HG23 ILE 21 3HG2 ILE 21 -7.568 -0.409 6.095
124 HD11 ILE 21 3HD1 ILE 21 -7.748 -5.080 3.571
125 HD12 ILE 21 1HD1 ILE 21 -8.148 -4.761 5.258
126 HD13 ILE 21 2HD1 ILE 21 -9.424 -4.793 4.040
127 H PHE 22 H PHE 22 -4.949 -0.221 4.955
128 HA PHE 22 HA PHE 22 -4.343 -0.147 7.831
129 HB2 PHE 22 1HB PHE 22 -2.485 0.660 5.585
130 HB3 PHE 22 2HB PHE 22 -2.193 0.996 7.289
131 HD1 PHE 22 HD1 PHE 22 -1.763 -0.859 8.858
132 HD2 PHE 22 HD2 PHE 22 -2.083 -1.486 4.660
133 HE1 PHE 22 HE1 PHE 22 -0.676 -3.053 9.106
134 HE2 PHE 22 HE2 PHE 22 -0.998 -3.681 4.902
135 HZ PHE 22 HZ PHE 22 -0.293 -4.467 7.127
136 H ARG 23 H ARG 23 -4.810 1.730 8.833
137 HA ARG 23 HA ARG 23 -6.566 3.564 7.846
138 HB2 ARG 23 1HB ARG 23 -5.559 3.238 10.246
139 HB3 ARG 23 2HB ARG 23 -4.451 4.508 9.744
140 HG2 ARG 23 1HG ARG 23 -6.301 5.457 10.961
141 HG3 ARG 23 2HG ARG 23 -6.367 5.971 9.274
142 HD2 ARG 23 1HD ARG 23 -7.863 3.529 10.094
143 HD3 ARG 23 2HD ARG 23 -8.516 5.108 10.529
144 HE ARG 23 HE ARG 23 -7.853 5.147 7.812
145 HH11 ARG 23 1HH1 ARG 23 -10.116 3.613 9.967
146 HH12 ARG 23 2HH1 ARG 23 -11.346 3.435 8.759
147 HH21 ARG 23 1HH2 ARG 23 -9.463 4.918 6.213
148 HH22 ARG 23 2HH2 ARG 23 -10.973 4.177 6.624
149 H HIS 24 H HIS 24 -3.144 4.431 8.347
150 HA HIS 24 HA HIS 24 -3.348 6.184 5.988
151 HB2 HIS 24 1HB HIS 24 -1.283 7.293 7.145
152 HB3 HIS 24 2HB HIS 24 -2.904 7.641 7.739
153 HD2 HIS 24 HD2 HIS 24 -3.565 6.247 10.182
154 HE1 HIS 24 HE1 HIS 24 0.500 5.526 11.160
155 HE2 HIS 24 HE2 HIS 24 -1.883 5.439 11.973
156 H SER 25 H SER 25 -1.747 6.148 4.441
157 HA SER 25 HA SER 25 -0.597 3.901 3.593
158 HB2 SER 25 1HB SER 25 0.669 6.648 3.502
159 HB3 SER 25 2HB SER 25 1.213 5.275 2.538
160 HG SER 25 HG SER 25 -1.479 6.103 2.475
161 H SER 26 H SER 26 1.091 6.159 5.774
162 HA SER 26 HA SER 26 3.469 5.035 6.198
163 HB2 SER 26 1HB SER 26 1.744 5.705 8.581
164 HB3 SER 26 2HB SER 26 3.488 5.903 8.409
165 HG SER 26 HG SER 26 1.401 7.456 7.363
166 H LEU 27 H LEU 27 0.728 4.015 8.243
167 HA LEU 27 HA LEU 27 1.777 1.868 9.494
168 HB2 LEU 27 1HB LEU 27 -0.949 2.377 8.395
169 HB3 LEU 27 2HB LEU 27 -0.590 0.808 9.112
170 HG LEU 27 HG LEU 27 -0.233 3.423 10.567
171 HD11 LEU 27 1HD1 LEU 27 -2.410 3.518 10.969
172 HD12 LEU 27 2HD1 LEU 27 -2.418 1.846 11.528
173 HD13 LEU 27 3HD1 LEU 27 -2.652 2.204 9.817
174 HD21 LEU 27 3HD2 LEU 27 1.080 1.776 11.598
175 HD22 LEU 27 1HD2 LEU 27 -0.141 0.527 11.356
176 HD23 LEU 27 2HD2 LEU 27 -0.415 1.810 12.534
177 H LEU 28 H LEU 28 0.461 1.855 6.199
178 HA LEU 28 HA LEU 28 0.964 -0.910 5.748
179 HB2 LEU 28 1HB LEU 28 -0.694 0.040 4.403
180 HB3 LEU 28 2HB LEU 28 0.316 1.421 3.981
181 HG LEU 28 HG LEU 28 1.763 -0.231 2.691
182 HD11 LEU 28 1HD1 LEU 28 -0.062 -2.053 3.857
183 HD12 LEU 28 2HD1 LEU 28 1.274 -2.390 2.756
184 HD13 LEU 28 3HD1 LEU 28 -0.336 -2.059 2.115
185 HD21 LEU 28 3HD2 LEU 28 -0.907 0.815 2.009
186 HD22 LEU 28 1HD2 LEU 28 -0.266 -0.425 0.932
187 HD23 LEU 28 2HD2 LEU 28 0.648 1.057 1.213
188 H ILE 29 H ILE 29 2.767 2.050 5.159
189 HA ILE 29 HA ILE 29 4.759 1.089 3.477
190 HB ILE 29 HB ILE 29 5.033 3.159 5.660
191 HG12 ILE 29 1HG1 ILE 29 4.452 3.484 2.708
192 HG13 ILE 29 2HG1 ILE 29 3.259 3.635 3.994
193 HG21 ILE 29 1HG2 ILE 29 6.893 4.000 4.179
194 HG22 ILE 29 2HG2 ILE 29 7.217 2.494 5.036
195 HG23 ILE 29 3HG2 ILE 29 6.794 2.460 3.324
196 HD11 ILE 29 3HD1 ILE 29 3.744 5.818 3.756
197 HD12 ILE 29 1HD1 ILE 29 5.057 5.410 4.859
198 HD13 ILE 29 2HD1 ILE 29 5.360 5.506 3.124
199 H GLU 30 H GLU 30 4.597 1.052 7.020
200 HA GLU 30 HA GLU 30 7.156 -0.165 7.353
201 HB2 GLU 30 1HB GLU 30 4.804 0.242 9.190
202 HB3 GLU 30 2HB GLU 30 6.246 -0.622 9.703
203 HG2 GLU 30 1HG GLU 30 6.156 2.223 8.724
204 HG3 GLU 30 2HG GLU 30 6.288 1.710 10.406
205 H HIS 31 H HIS 31 3.872 -1.346 7.026
206 HA HIS 31 HA HIS 31 4.370 -4.014 7.837
207 HB2 HIS 31 1HB HIS 31 2.110 -3.422 7.846
208 HB3 HIS 31 2HB HIS 31 2.200 -2.670 6.256
209 HD1 HIS 31 HD1 HIS 31 1.685 -5.945 7.944
210 HD2 HIS 31 HD2 HIS 31 2.000 -4.455 4.079
211 HE1 HIS 31 HE1 HIS 31 0.889 -7.798 6.443
212 H GLN 32 H GLN 32 4.265 -2.458 4.647
213 HA GLN 32 HA GLN 32 4.620 -4.643 3.017
214 HB2 GLN 32 1HB GLN 32 5.745 -1.855 2.743
215 HB3 GLN 32 2HB GLN 32 5.815 -3.060 1.464
216 HG2 GLN 32 1HG GLN 32 3.439 -3.117 1.287
217 HG3 GLN 32 2HG GLN 32 3.255 -2.115 2.725
218 HE21 GLN 32 1HE2 GLN 32 2.497 -1.836 -0.196
219 HE22 GLN 32 2HE2 GLN 32 3.060 -0.260 -0.624
220 H ALA 33 H ALA 33 7.095 -2.803 4.756
221 HA ALA 33 HA ALA 33 9.407 -3.858 3.760
222 HB1 ALA 33 3HB ALA 33 8.694 -2.383 6.014
223 HB2 ALA 33 1HB ALA 33 9.572 -3.780 6.637
224 HB3 ALA 33 2HB ALA 33 10.325 -2.728 5.439
225 H LEU 34 H LEU 34 7.137 -5.392 5.964
226 HA LEU 34 HA LEU 34 8.669 -7.558 6.803
227 HB2 LEU 34 1HB LEU 34 6.714 -8.495 7.568
228 HB3 LEU 34 2HB LEU 34 6.291 -6.787 7.480
229 HG LEU 34 HG LEU 34 5.418 -7.533 5.077
230 HD11 LEU 34 1HD1 LEU 34 4.782 -9.984 6.671
231 HD12 LEU 34 2HD1 LEU 34 6.229 -9.910 5.667
232 HD13 LEU 34 3HD1 LEU 34 4.637 -9.711 4.935
233 HD21 LEU 34 3HD2 LEU 34 4.276 -7.067 7.653
234 HD22 LEU 34 1HD2 LEU 34 3.350 -8.319 6.824
235 HD23 LEU 34 2HD2 LEU 34 3.591 -6.749 6.059
236 H HIS 35 H HIS 35 6.855 -7.069 3.828
237 HA HIS 35 HA HIS 35 7.168 -9.744 2.880
238 HB2 HIS 35 1HB HIS 35 6.458 -7.184 1.438
239 HB3 HIS 35 2HB HIS 35 6.417 -8.782 0.698
240 HD1 HIS 35 HD1 HIS 35 4.856 -10.519 2.364
241 HD2 HIS 35 HD2 HIS 35 3.987 -6.459 2.215
242 HE1 HIS 35 HE1 HIS 35 2.474 -10.312 3.143
243 H ALA 36 H ALA 36 8.726 -6.658 2.024
244 HA ALA 36 HA ALA 36 10.514 -7.613 0.130
245 HB1 ALA 36 3HB ALA 36 11.310 -5.448 2.036
246 HB2 ALA 36 1HB ALA 36 11.621 -5.584 0.305
247 HB3 ALA 36 2HB ALA 36 10.000 -5.193 0.882
248 H GLY 37 H GLY 37 11.190 -7.032 3.593
249 HA2 GLY 37 1HA GLY 37 12.641 -8.077 5.035
250 HA3 GLY 37 2HA GLY 37 12.633 -9.442 3.928
251 H GLU 38 H GLU 38 14.844 -9.819 4.205
252 HA GLU 38 HA GLU 38 16.819 -7.817 3.832
253 HB2 GLU 38 1HB GLU 38 16.926 -10.829 3.803
254 HB3 GLU 38 2HB GLU 38 18.354 -9.835 3.554
255 HG2 GLU 38 1HG GLU 38 16.637 -9.433 5.965
256 HG3 GLU 38 2HG GLU 38 17.825 -10.734 5.915
257 H SER 39 H SER 39 17.731 -7.040 2.037
258 HA SER 39 HA SER 39 16.680 -7.820 -0.523
259 HB2 SER 39 1HB SER 39 17.210 -5.448 0.105
260 HB3 SER 39 2HB SER 39 18.921 -5.871 0.056
261 HG SER 39 HG SER 39 18.864 -5.855 -2.053
262 H GLY 40 H GLY 40 18.192 -8.174 -2.397
263 HA2 GLY 40 1HA GLY 40 20.653 -9.584 -1.655
264 HA3 GLY 40 2HA GLY 40 19.424 -10.479 -2.536
265 HA PRO 41 HA PRO 41 21.072 -9.087 -6.347
266 HB2 PRO 41 1HB PRO 41 18.839 -8.836 -7.871
267 HB3 PRO 41 2HB PRO 41 19.502 -10.402 -7.389
268 HG2 PRO 41 1HG PRO 41 17.229 -8.860 -6.198
269 HG3 PRO 41 2HG PRO 41 17.345 -10.596 -6.540
270 HD2 PRO 41 1HD PRO 41 17.706 -9.572 -4.059
271 HD3 PRO 41 2HD PRO 41 18.564 -11.018 -4.629
272 H SER 42 H SER 42 21.901 -7.045 -5.834
273 HA SER 42 HA SER 42 20.104 -4.748 -6.042
274 HB2 SER 42 1HB SER 42 23.029 -4.859 -5.267
275 HB3 SER 42 2HB SER 42 21.993 -3.435 -5.187
276 HG SER 42 HG SER 42 21.989 -4.305 -3.166
277 H SER 43 H SER 43 20.470 -6.112 -8.424
278 HA SER 43 HA SER 43 22.378 -4.480 -9.944
279 HB2 SER 43 1HB SER 43 20.996 -7.093 -10.541
280 HB3 SER 43 2HB SER 43 21.822 -6.166 -11.793
281 HG SER 43 HG SER 43 23.640 -6.228 -10.139
282 H GLY 44 H GLY 44 19.024 -5.674 -10.158
283 HA2 GLY 44 1HA GLY 44 18.005 -3.142 -10.944
284 HA3 GLY 44 2HA GLY 44 18.198 -4.182 -12.348
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -20.949 -20.278 4.733
2 HA2 GLY 1 1HA GLY 1 -21.139 -17.976 3.898
3 HA3 GLY 1 2HA GLY 1 -22.031 -17.602 5.366
4 H SER 2 H SER 2 -19.257 -16.946 3.962
5 HA SER 2 HA SER 2 -17.930 -16.349 6.444
6 HB2 SER 2 1HB SER 2 -15.984 -17.662 6.181
7 HB3 SER 2 2HB SER 2 -17.313 -18.773 5.853
8 HG SER 2 HG SER 2 -15.756 -18.998 4.254
9 H SER 3 H SER 3 -16.712 -14.559 6.255
10 HA SER 3 HA SER 3 -16.379 -13.451 3.557
11 HB2 SER 3 1HB SER 3 -17.608 -11.959 4.952
12 HB3 SER 3 2HB SER 3 -16.472 -12.159 6.286
13 HG SER 3 HG SER 3 -15.794 -11.020 3.778
14 H GLY 4 H GLY 4 -14.410 -12.804 2.778
15 HA2 GLY 4 1HA GLY 4 -12.090 -13.881 4.189
16 HA3 GLY 4 2HA GLY 4 -12.137 -13.359 2.512
17 H SER 5 H SER 5 -12.824 -10.857 2.441
18 HA SER 5 HA SER 5 -10.859 -9.503 4.162
19 HB2 SER 5 1HB SER 5 -10.246 -9.266 1.867
20 HB3 SER 5 2HB SER 5 -11.895 -8.849 1.400
21 HG SER 5 HG SER 5 -11.476 -6.852 1.870
22 H SER 6 H SER 6 -11.372 -7.566 5.178
23 HA SER 6 HA SER 6 -14.236 -6.869 5.216
24 HB2 SER 6 1HB SER 6 -13.884 -6.254 7.636
25 HB3 SER 6 2HB SER 6 -13.763 -7.979 7.292
26 HG SER 6 HG SER 6 -11.766 -7.935 7.930
27 H GLY 7 H GLY 7 -14.261 -5.050 4.008
28 HA2 GLY 7 1HA GLY 7 -12.824 -2.742 5.080
29 HA3 GLY 7 2HA GLY 7 -12.507 -3.167 3.405
30 H ALA 8 H ALA 8 -13.321 -0.953 3.045
31 HA ALA 8 HA ALA 8 -16.264 -0.945 2.881
32 HB1 ALA 8 3HB ALA 8 -16.180 1.508 3.145
33 HB2 ALA 8 1HB ALA 8 -15.572 0.647 4.559
34 HB3 ALA 8 2HB ALA 8 -14.443 1.395 3.428
35 H ALA 9 H ALA 9 -13.376 0.647 1.513
36 HA ALA 9 HA ALA 9 -14.311 0.068 -1.170
37 HB1 ALA 9 3HB ALA 9 -13.628 2.810 -1.263
38 HB2 ALA 9 1HB ALA 9 -15.183 2.057 -1.613
39 HB3 ALA 9 2HB ALA 9 -14.816 2.602 0.024
40 H LYS 10 H LYS 10 -12.692 1.036 -2.810
41 HA LYS 10 HA LYS 10 -10.059 0.205 -1.963
42 HB2 LYS 10 1HB LYS 10 -11.356 0.880 -4.566
43 HB3 LYS 10 2HB LYS 10 -9.602 0.949 -4.464
44 HG2 LYS 10 1HG LYS 10 -11.099 -1.477 -3.553
45 HG3 LYS 10 2HG LYS 10 -10.710 -1.228 -5.257
46 HD2 LYS 10 1HD LYS 10 -8.349 -1.108 -4.736
47 HD3 LYS 10 2HD LYS 10 -8.696 -1.229 -3.009
48 HE2 LYS 10 1HE LYS 10 -9.580 -3.357 -4.929
49 HE3 LYS 10 2HE LYS 10 -7.946 -3.348 -4.266
50 HZ1 LYS 10 3HZ LYS 10 -10.071 -3.037 -2.322
51 HZ2 LYS 10 1HZ LYS 10 -8.670 -3.983 -2.255
52 HZ3 LYS 10 2HZ LYS 10 -10.027 -4.541 -3.096
53 H THR 11 H THR 11 -10.860 2.491 -0.599
54 HA THR 11 HA THR 11 -9.066 4.533 -1.742
55 HB THR 11 HB THR 11 -10.415 6.216 -0.447
56 HG1 THR 11 HG1 THR 11 -12.353 5.597 0.410
57 HG21 THR 11 3HG2 THR 11 -10.726 5.989 -2.841
58 HG22 THR 11 1HG2 THR 11 -12.286 6.265 -2.067
59 HG23 THR 11 2HG2 THR 11 -11.838 4.643 -2.597
60 H THR 12 H THR 12 -8.181 2.425 -0.084
61 HA THR 12 HA THR 12 -7.181 3.988 2.178
62 HB THR 12 HB THR 12 -7.896 1.144 2.733
63 HG1 THR 12 HG1 THR 12 -9.894 1.732 2.140
64 HG21 THR 12 3HG2 THR 12 -8.415 3.250 4.705
65 HG22 THR 12 1HG2 THR 12 -6.732 3.140 4.192
66 HG23 THR 12 2HG2 THR 12 -7.540 1.729 4.876
67 H SER 13 H SER 13 -5.151 3.337 2.949
68 HA SER 13 HA SER 13 -3.424 2.218 1.013
69 HB2 SER 13 1HB SER 13 -2.698 2.411 3.924
70 HB3 SER 13 2HB SER 13 -1.680 2.672 2.509
71 HG SER 13 HG SER 13 -2.506 4.583 3.754
72 H GLU 14 H GLU 14 -4.414 0.172 0.564
73 HA GLU 14 HA GLU 14 -4.094 -1.855 2.665
74 HB2 GLU 14 1HB GLU 14 -6.294 -1.919 1.798
75 HB3 GLU 14 2HB GLU 14 -5.730 -1.775 0.139
76 HG2 GLU 14 1HG GLU 14 -4.712 -4.022 0.338
77 HG3 GLU 14 2HG GLU 14 -5.419 -4.160 1.947
78 H CYS 15 H CYS 15 -2.931 -3.745 2.302
79 HA CYS 15 HA CYS 15 -0.783 -3.481 0.377
80 HB2 CYS 15 1HB CYS 15 -0.471 -4.243 2.777
81 HB3 CYS 15 2HB CYS 15 -1.240 -5.756 2.308
82 H GLN 16 H GLN 16 -1.145 -4.107 -1.647
83 HA GLN 16 HA GLN 16 -3.152 -5.960 -2.403
84 HB2 GLN 16 1HB GLN 16 -2.069 -5.820 -4.659
85 HB3 GLN 16 2HB GLN 16 -2.513 -4.266 -3.966
86 HG2 GLN 16 1HG GLN 16 -0.279 -3.734 -3.460
87 HG3 GLN 16 2HG GLN 16 0.256 -5.393 -3.725
88 HE21 GLN 16 1HE2 GLN 16 0.866 -6.010 -5.714
89 HE22 GLN 16 2HE2 GLN 16 0.817 -4.999 -7.114
90 H GLU 17 H GLU 17 0.059 -6.335 -1.304
91 HA GLU 17 HA GLU 17 0.760 -8.736 -2.615
92 HB2 GLU 17 1HB GLU 17 1.649 -7.694 0.080
93 HB3 GLU 17 2HB GLU 17 2.424 -8.995 -0.813
94 HG2 GLU 17 1HG GLU 17 2.115 -6.243 -1.960
95 HG3 GLU 17 2HG GLU 17 3.483 -6.692 -0.943
96 H CYS 18 H CYS 18 -0.547 -8.176 0.654
97 HA CYS 18 HA CYS 18 -1.420 -10.989 0.691
98 HB2 CYS 18 1HB CYS 18 -1.441 -10.773 3.160
99 HB3 CYS 18 2HB CYS 18 0.156 -10.496 2.472
100 H GLY 19 H GLY 19 -2.384 -7.667 1.420
101 HA2 GLY 19 1HA GLY 19 -4.633 -6.989 0.763
102 HA3 GLY 19 2HA GLY 19 -5.194 -8.566 1.298
103 H LYS 20 H LYS 20 -2.984 -6.351 2.952
104 HA LYS 20 HA LYS 20 -4.833 -6.350 5.234
105 HB2 LYS 20 1HB LYS 20 -2.276 -7.045 5.290
106 HB3 LYS 20 2HB LYS 20 -2.044 -5.308 5.440
107 HG2 LYS 20 1HG LYS 20 -3.001 -5.216 7.516
108 HG3 LYS 20 2HG LYS 20 -4.000 -6.645 7.239
109 HD2 LYS 20 1HD LYS 20 -2.246 -8.108 7.676
110 HD3 LYS 20 2HD LYS 20 -1.016 -6.877 7.377
111 HE2 LYS 20 1HE LYS 20 -1.349 -5.868 9.446
112 HE3 LYS 20 2HE LYS 20 -2.947 -6.584 9.647
113 HZ1 LYS 20 3HZ LYS 20 -2.079 -8.367 10.620
114 HZ2 LYS 20 1HZ LYS 20 -0.626 -7.508 10.734
115 HZ3 LYS 20 2HZ LYS 20 -0.889 -8.557 9.433
116 H ILE 21 H ILE 21 -6.069 -4.616 5.456
117 HA ILE 21 HA ILE 21 -5.490 -2.157 4.087
118 HB ILE 21 HB ILE 21 -7.679 -2.851 6.048
119 HG12 ILE 21 1HG1 ILE 21 -8.955 -2.529 3.732
120 HG13 ILE 21 2HG1 ILE 21 -7.385 -2.994 3.084
121 HG21 ILE 21 1HG2 ILE 21 -7.594 -0.463 4.223
122 HG22 ILE 21 2HG2 ILE 21 -8.727 -0.799 5.532
123 HG23 ILE 21 3HG2 ILE 21 -7.048 -0.405 5.899
124 HD11 ILE 21 3HD1 ILE 21 -7.926 -4.832 5.111
125 HD12 ILE 21 1HD1 ILE 21 -9.442 -4.625 4.235
126 HD13 ILE 21 2HD1 ILE 21 -7.981 -5.102 3.370
127 H PHE 22 H PHE 22 -4.894 -0.201 4.945
128 HA PHE 22 HA PHE 22 -4.280 -0.103 7.814
129 HB2 PHE 22 1HB PHE 22 -2.415 0.707 5.575
130 HB3 PHE 22 2HB PHE 22 -2.142 1.065 7.277
131 HD1 PHE 22 HD1 PHE 22 -1.695 -0.765 8.869
132 HD2 PHE 22 HD2 PHE 22 -1.978 -1.445 4.677
133 HE1 PHE 22 HE1 PHE 22 -0.579 -2.940 9.150
134 HE2 PHE 22 HE2 PHE 22 -0.863 -3.621 4.951
135 HZ PHE 22 HZ PHE 22 -0.163 -4.371 7.190
136 H ARG 23 H ARG 23 -4.682 1.818 8.795
137 HA ARG 23 HA ARG 23 -6.482 3.613 7.750
138 HB2 ARG 23 1HB ARG 23 -5.630 3.311 10.177
139 HB3 ARG 23 2HB ARG 23 -4.410 4.498 9.737
140 HG2 ARG 23 1HG ARG 23 -6.104 5.741 10.746
141 HG3 ARG 23 2HG ARG 23 -6.356 5.979 9.015
142 HD2 ARG 23 1HD ARG 23 -8.249 4.666 8.975
143 HD3 ARG 23 2HD ARG 23 -7.772 3.751 10.404
144 HE ARG 23 HE ARG 23 -8.780 5.337 11.721
145 HH11 ARG 23 1HH1 ARG 23 -8.465 6.555 8.475
146 HH12 ARG 23 2HH1 ARG 23 -9.447 7.953 8.765
147 HH21 ARG 23 1HH2 ARG 23 -10.074 7.173 12.116
148 HH22 ARG 23 2HH2 ARG 23 -10.361 8.304 10.836
149 H HIS 24 H HIS 24 -3.061 4.451 8.319
150 HA HIS 24 HA HIS 24 -3.217 6.241 5.984
151 HB2 HIS 24 1HB HIS 24 -1.171 7.329 7.171
152 HB3 HIS 24 2HB HIS 24 -2.790 7.657 7.780
153 HD2 HIS 24 HD2 HIS 24 -3.435 6.188 10.189
154 HE1 HIS 24 HE1 HIS 24 0.640 5.495 11.141
155 HE2 HIS 24 HE2 HIS 24 -1.739 5.357 11.956
156 H SER 25 H SER 25 -1.633 6.173 4.436
157 HA SER 25 HA SER 25 -0.479 3.922 3.603
158 HB2 SER 25 1HB SER 25 0.955 6.587 3.507
159 HB3 SER 25 2HB SER 25 1.200 5.225 2.413
160 HG SER 25 HG SER 25 -0.187 6.737 1.470
161 H SER 26 H SER 26 1.208 6.198 5.767
162 HA SER 26 HA SER 26 3.587 5.078 6.198
163 HB2 SER 26 1HB SER 26 1.813 5.819 8.532
164 HB3 SER 26 2HB SER 26 3.573 5.907 8.452
165 HG SER 26 HG SER 26 3.310 7.512 6.813
166 H LEU 27 H LEU 27 0.791 4.045 8.162
167 HA LEU 27 HA LEU 27 1.854 1.915 9.465
168 HB2 LEU 27 1HB LEU 27 -0.857 2.482 8.389
169 HB3 LEU 27 2HB LEU 27 -0.533 0.861 8.999
170 HG LEU 27 HG LEU 27 -0.208 3.401 10.594
171 HD11 LEU 27 1HD1 LEU 27 -2.449 3.341 10.644
172 HD12 LEU 27 2HD1 LEU 27 -2.216 2.003 11.769
173 HD13 LEU 27 3HD1 LEU 27 -2.520 1.677 10.063
174 HD21 LEU 27 3HD2 LEU 27 -0.194 1.713 12.490
175 HD22 LEU 27 1HD2 LEU 27 1.252 1.781 11.482
176 HD23 LEU 27 2HD2 LEU 27 0.080 0.483 11.256
177 H LEU 28 H LEU 28 0.467 1.832 6.192
178 HA LEU 28 HA LEU 28 0.980 -0.912 5.743
179 HB2 LEU 28 1HB LEU 28 -0.630 0.053 4.358
180 HB3 LEU 28 2HB LEU 28 0.401 1.426 3.963
181 HG LEU 28 HG LEU 28 1.853 -0.202 2.678
182 HD11 LEU 28 1HD1 LEU 28 1.428 -2.364 2.954
183 HD12 LEU 28 2HD1 LEU 28 -0.037 -2.122 2.004
184 HD13 LEU 28 3HD1 LEU 28 -0.103 -2.030 3.763
185 HD21 LEU 28 3HD2 LEU 28 -0.919 -0.117 1.553
186 HD22 LEU 28 1HD2 LEU 28 0.628 0.107 0.736
187 HD23 LEU 28 2HD2 LEU 28 -0.002 1.372 1.792
188 H ILE 29 H ILE 29 2.838 2.017 5.125
189 HA ILE 29 HA ILE 29 4.844 1.003 3.504
190 HB ILE 29 HB ILE 29 5.083 3.101 5.663
191 HG12 ILE 29 1HG1 ILE 29 4.640 3.353 2.680
192 HG13 ILE 29 2HG1 ILE 29 3.412 3.599 3.916
193 HG21 ILE 29 1HG2 ILE 29 6.903 2.715 3.300
194 HG22 ILE 29 2HG2 ILE 29 7.117 3.800 4.672
195 HG23 ILE 29 3HG2 ILE 29 7.246 2.056 4.899
196 HD11 ILE 29 3HD1 ILE 29 5.072 5.515 2.803
197 HD12 ILE 29 1HD1 ILE 29 4.047 5.697 4.227
198 HD13 ILE 29 2HD1 ILE 29 5.738 5.229 4.411
199 H GLU 30 H GLU 30 4.631 1.012 7.046
200 HA GLU 30 HA GLU 30 7.160 -0.230 7.447
201 HB2 GLU 30 1HB GLU 30 4.752 0.149 9.221
202 HB3 GLU 30 2HB GLU 30 6.202 -0.682 9.768
203 HG2 GLU 30 1HG GLU 30 6.368 2.068 8.608
204 HG3 GLU 30 2HG GLU 30 5.915 1.822 10.293
205 H HIS 31 H HIS 31 3.888 -1.404 7.010
206 HA HIS 31 HA HIS 31 4.350 -4.075 7.832
207 HB2 HIS 31 1HB HIS 31 2.094 -3.544 7.763
208 HB3 HIS 31 2HB HIS 31 2.236 -2.688 6.230
209 HD1 HIS 31 HD1 HIS 31 1.577 -6.030 7.682
210 HD2 HIS 31 HD2 HIS 31 2.222 -4.364 3.931
211 HE1 HIS 31 HE1 HIS 31 0.868 -7.791 6.033
212 H GLN 32 H GLN 32 4.265 -2.563 4.611
213 HA GLN 32 HA GLN 32 4.712 -4.738 3.014
214 HB2 GLN 32 1HB GLN 32 5.874 -1.963 2.738
215 HB3 GLN 32 2HB GLN 32 5.893 -3.174 1.464
216 HG2 GLN 32 1HG GLN 32 3.489 -3.183 1.370
217 HG3 GLN 32 2HG GLN 32 3.399 -2.084 2.746
218 HE21 GLN 32 1HE2 GLN 32 2.899 -2.145 -0.387
219 HE22 GLN 32 2HE2 GLN 32 3.395 -0.555 -0.846
220 H ALA 33 H ALA 33 7.122 -2.879 4.820
221 HA ALA 33 HA ALA 33 9.473 -3.904 3.898
222 HB1 ALA 33 3HB ALA 33 9.656 -2.260 5.537
223 HB2 ALA 33 1HB ALA 33 8.622 -3.135 6.666
224 HB3 ALA 33 2HB ALA 33 10.257 -3.711 6.339
225 H LEU 34 H LEU 34 7.232 -5.446 6.157
226 HA LEU 34 HA LEU 34 8.755 -7.622 6.939
227 HB2 LEU 34 1HB LEU 34 6.814 -8.553 7.729
228 HB3 LEU 34 2HB LEU 34 6.366 -6.852 7.617
229 HG LEU 34 HG LEU 34 5.480 -7.617 5.240
230 HD11 LEU 34 1HD1 LEU 34 4.500 -9.864 5.372
231 HD12 LEU 34 2HD1 LEU 34 5.350 -10.136 6.892
232 HD13 LEU 34 3HD1 LEU 34 6.263 -9.905 5.401
233 HD21 LEU 34 3HD2 LEU 34 3.572 -7.015 6.198
234 HD22 LEU 34 1HD2 LEU 34 4.360 -7.115 7.773
235 HD23 LEU 34 2HD2 LEU 34 3.519 -8.520 7.118
236 H HIS 35 H HIS 35 6.879 -7.145 3.994
237 HA HIS 35 HA HIS 35 7.113 -9.786 3.010
238 HB2 HIS 35 1HB HIS 35 6.580 -7.144 1.654
239 HB3 HIS 35 2HB HIS 35 6.619 -8.668 0.772
240 HD1 HIS 35 HD1 HIS 35 5.022 -10.512 2.506
241 HD2 HIS 35 HD2 HIS 35 3.960 -6.541 1.902
242 HE1 HIS 35 HE1 HIS 35 2.559 -10.394 2.996
243 H ALA 36 H ALA 36 8.860 -6.822 2.061
244 HA ALA 36 HA ALA 36 10.629 -7.689 0.250
245 HB1 ALA 36 3HB ALA 36 12.354 -6.185 1.462
246 HB2 ALA 36 1HB ALA 36 10.871 -5.463 0.838
247 HB3 ALA 36 2HB ALA 36 11.020 -5.826 2.558
248 H GLY 37 H GLY 37 11.555 -9.650 0.192
249 HA2 GLY 37 1HA GLY 37 13.714 -10.264 1.928
250 HA3 GLY 37 2HA GLY 37 12.307 -11.228 2.351
251 H GLU 38 H GLU 38 14.006 -12.910 1.756
252 HA GLU 38 HA GLU 38 14.345 -13.303 -1.104
253 HB2 GLU 38 1HB GLU 38 15.352 -14.770 1.327
254 HB3 GLU 38 2HB GLU 38 15.570 -15.401 -0.300
255 HG2 GLU 38 1HG GLU 38 16.547 -12.713 0.634
256 HG3 GLU 38 2HG GLU 38 17.531 -14.174 0.566
257 H SER 39 H SER 39 13.526 -15.035 -2.275
258 HA SER 39 HA SER 39 10.944 -15.789 -1.964
259 HB2 SER 39 1HB SER 39 13.247 -17.239 -3.250
260 HB3 SER 39 2HB SER 39 11.618 -17.915 -3.278
261 HG SER 39 HG SER 39 12.244 -16.534 -5.108
262 H GLY 40 H GLY 40 13.763 -17.541 -0.697
263 HA2 GLY 40 1HA GLY 40 13.924 -19.241 0.845
264 HA3 GLY 40 2HA GLY 40 12.643 -18.368 1.674
265 HA PRO 41 HA PRO 41 11.092 -22.605 0.560
266 HB2 PRO 41 1HB PRO 41 10.110 -23.161 3.029
267 HB3 PRO 41 2HB PRO 41 11.784 -23.488 2.565
268 HG2 PRO 41 1HG PRO 41 10.664 -21.186 4.115
269 HG3 PRO 41 2HG PRO 41 12.136 -22.127 4.417
270 HD2 PRO 41 1HD PRO 41 12.181 -19.694 3.231
271 HD3 PRO 41 2HD PRO 41 13.352 -20.970 2.838
272 H SER 42 H SER 42 9.869 -19.621 1.393
273 HA SER 42 HA SER 42 7.080 -20.484 1.485
274 HB2 SER 42 1HB SER 42 6.644 -18.023 1.860
275 HB3 SER 42 2HB SER 42 7.625 -18.801 3.103
276 HG SER 42 HG SER 42 8.790 -17.465 0.903
277 H SER 43 H SER 43 6.945 -21.233 -0.684
278 HA SER 43 HA SER 43 7.455 -19.462 -2.883
279 HB2 SER 43 1HB SER 43 6.685 -21.242 -4.286
280 HB3 SER 43 2HB SER 43 7.608 -21.987 -2.981
281 HG SER 43 HG SER 43 5.590 -23.038 -3.401
282 H GLY 44 H GLY 44 6.055 -18.210 -4.010
283 HA2 GLY 44 1HA GLY 44 3.318 -18.406 -4.210
284 HA3 GLY 44 2HA GLY 44 3.598 -17.474 -2.746
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -21.077 -14.895 -0.284
2 HA2 GLY 1 1HA GLY 1 -19.404 -16.115 0.737
3 HA3 GLY 1 2HA GLY 1 -18.365 -15.087 -0.239
4 H SER 2 H SER 2 -18.248 -12.739 0.819
5 HA SER 2 HA SER 2 -17.950 -12.966 3.720
6 HB2 SER 2 1HB SER 2 -15.746 -12.571 1.752
7 HB3 SER 2 2HB SER 2 -15.673 -11.657 3.259
8 HG SER 2 HG SER 2 -15.128 -14.252 2.829
9 H SER 3 H SER 3 -18.148 -11.042 4.829
10 HA SER 3 HA SER 3 -18.609 -8.619 3.231
11 HB2 SER 3 1HB SER 3 -20.745 -9.872 4.032
12 HB3 SER 3 2HB SER 3 -20.328 -9.228 5.620
13 HG SER 3 HG SER 3 -21.755 -7.871 4.380
14 H GLY 4 H GLY 4 -16.823 -7.500 3.820
15 HA2 GLY 4 1HA GLY 4 -16.354 -7.150 6.717
16 HA3 GLY 4 2HA GLY 4 -15.086 -7.082 5.502
17 H SER 5 H SER 5 -16.708 -5.208 7.544
18 HA SER 5 HA SER 5 -17.832 -3.068 6.354
19 HB2 SER 5 1HB SER 5 -17.221 -3.401 8.831
20 HB3 SER 5 2HB SER 5 -15.683 -2.640 8.425
21 HG SER 5 HG SER 5 -17.123 -1.067 9.124
22 H SER 6 H SER 6 -14.329 -3.600 6.626
23 HA SER 6 HA SER 6 -13.952 -1.581 4.510
24 HB2 SER 6 1HB SER 6 -11.781 -1.058 5.467
25 HB3 SER 6 2HB SER 6 -13.015 -0.903 6.717
26 HG SER 6 HG SER 6 -11.526 -3.279 6.350
27 H GLY 7 H GLY 7 -13.186 -2.335 2.652
28 HA2 GLY 7 1HA GLY 7 -11.394 -4.659 2.680
29 HA3 GLY 7 2HA GLY 7 -12.855 -4.743 1.707
30 H ALA 8 H ALA 8 -12.350 -4.519 -0.363
31 HA ALA 8 HA ALA 8 -10.193 -2.672 -1.109
32 HB1 ALA 8 3HB ALA 8 -10.548 -5.245 -1.857
33 HB2 ALA 8 1HB ALA 8 -11.348 -4.405 -3.186
34 HB3 ALA 8 2HB ALA 8 -9.662 -4.051 -2.806
35 H ALA 9 H ALA 9 -12.755 -1.649 -0.370
36 HA ALA 9 HA ALA 9 -13.659 -0.569 -2.961
37 HB1 ALA 9 3HB ALA 9 -15.859 -0.165 -1.716
38 HB2 ALA 9 1HB ALA 9 -15.477 -1.820 -2.191
39 HB3 ALA 9 2HB ALA 9 -15.242 -1.304 -0.520
40 H LYS 10 H LYS 10 -11.533 0.602 -1.674
41 HA LYS 10 HA LYS 10 -12.462 3.269 -1.348
42 HB2 LYS 10 1HB LYS 10 -12.824 1.975 0.937
43 HB3 LYS 10 2HB LYS 10 -11.107 2.303 1.131
44 HG2 LYS 10 1HG LYS 10 -12.279 4.050 2.213
45 HG3 LYS 10 2HG LYS 10 -11.617 4.722 0.721
46 HD2 LYS 10 1HD LYS 10 -13.970 4.005 -0.236
47 HD3 LYS 10 2HD LYS 10 -14.443 4.136 1.460
48 HE2 LYS 10 1HE LYS 10 -14.865 6.265 0.655
49 HE3 LYS 10 2HE LYS 10 -13.257 6.435 1.357
50 HZ1 LYS 10 3HZ LYS 10 -13.352 7.475 -0.804
51 HZ2 LYS 10 1HZ LYS 10 -13.870 6.033 -1.521
52 HZ3 LYS 10 2HZ LYS 10 -12.316 6.139 -0.863
53 H THR 11 H THR 11 -10.668 4.789 -0.926
54 HA THR 11 HA THR 11 -8.327 3.975 -2.374
55 HB THR 11 HB THR 11 -9.385 6.266 -2.528
56 HG1 THR 11 HG1 THR 11 -6.670 5.708 -2.172
57 HG21 THR 11 3HG2 THR 11 -7.915 7.523 -0.459
58 HG22 THR 11 1HG2 THR 11 -8.852 6.224 0.276
59 HG23 THR 11 2HG2 THR 11 -9.664 7.468 -0.674
60 H THR 12 H THR 12 -9.119 3.203 0.600
61 HA THR 12 HA THR 12 -7.110 4.076 2.314
62 HB THR 12 HB THR 12 -8.139 1.257 2.448
63 HG1 THR 12 HG1 THR 12 -9.582 3.559 3.306
64 HG21 THR 12 3HG2 THR 12 -7.859 3.249 4.678
65 HG22 THR 12 1HG2 THR 12 -6.476 2.319 4.103
66 HG23 THR 12 2HG2 THR 12 -7.885 1.488 4.764
67 H SER 13 H SER 13 -5.150 3.122 3.005
68 HA SER 13 HA SER 13 -3.594 2.022 0.859
69 HB2 SER 13 1HB SER 13 -2.743 2.344 3.741
70 HB3 SER 13 2HB SER 13 -1.708 2.265 2.315
71 HG SER 13 HG SER 13 -1.952 4.331 2.107
72 H GLU 14 H GLU 14 -4.225 -0.030 0.362
73 HA GLU 14 HA GLU 14 -4.105 -2.025 2.526
74 HB2 GLU 14 1HB GLU 14 -6.286 -2.081 1.620
75 HB3 GLU 14 2HB GLU 14 -5.693 -1.944 -0.029
76 HG2 GLU 14 1HG GLU 14 -4.701 -4.199 0.187
77 HG3 GLU 14 2HG GLU 14 -5.433 -4.330 1.785
78 H CYS 15 H CYS 15 -2.881 -3.864 2.269
79 HA CYS 15 HA CYS 15 -0.732 -3.674 0.346
80 HB2 CYS 15 1HB CYS 15 -0.525 -4.391 2.808
81 HB3 CYS 15 2HB CYS 15 -1.166 -5.943 2.278
82 H GLN 16 H GLN 16 -1.193 -4.291 -1.674
83 HA GLN 16 HA GLN 16 -3.144 -6.210 -2.371
84 HB2 GLN 16 1HB GLN 16 -2.163 -6.070 -4.639
85 HB3 GLN 16 2HB GLN 16 -2.484 -4.488 -3.941
86 HG2 GLN 16 1HG GLN 16 -0.413 -4.142 -4.821
87 HG3 GLN 16 2HG GLN 16 0.017 -4.652 -3.189
88 HE21 GLN 16 1HE2 GLN 16 2.082 -5.169 -4.160
89 HE22 GLN 16 2HE2 GLN 16 2.288 -6.688 -4.957
90 H GLU 17 H GLU 17 0.109 -6.499 -1.338
91 HA GLU 17 HA GLU 17 0.826 -8.917 -2.593
92 HB2 GLU 17 1HB GLU 17 1.740 -7.541 -0.081
93 HB3 GLU 17 2HB GLU 17 2.372 -9.120 -0.530
94 HG2 GLU 17 1HG GLU 17 2.429 -6.963 -2.567
95 HG3 GLU 17 2HG GLU 17 3.576 -6.882 -1.231
96 H CYS 18 H CYS 18 -0.468 -8.313 0.673
97 HA CYS 18 HA CYS 18 -1.274 -11.143 0.784
98 HB2 CYS 18 1HB CYS 18 -1.347 -10.795 3.268
99 HB3 CYS 18 2HB CYS 18 0.258 -10.642 2.561
100 H GLY 19 H GLY 19 -2.322 -7.827 1.412
101 HA2 GLY 19 1HA GLY 19 -4.583 -7.214 0.755
102 HA3 GLY 19 2HA GLY 19 -5.108 -8.798 1.307
103 H LYS 20 H LYS 20 -2.956 -6.518 2.949
104 HA LYS 20 HA LYS 20 -4.840 -6.507 5.205
105 HB2 LYS 20 1HB LYS 20 -2.290 -7.220 5.316
106 HB3 LYS 20 2HB LYS 20 -2.047 -5.484 5.457
107 HG2 LYS 20 1HG LYS 20 -3.074 -5.366 7.507
108 HG3 LYS 20 2HG LYS 20 -4.034 -6.821 7.229
109 HD2 LYS 20 1HD LYS 20 -2.268 -8.237 7.740
110 HD3 LYS 20 2HD LYS 20 -1.052 -6.998 7.419
111 HE2 LYS 20 1HE LYS 20 -1.122 -7.286 9.770
112 HE3 LYS 20 2HE LYS 20 -1.944 -5.765 9.426
113 HZ1 LYS 20 3HZ LYS 20 -3.566 -8.195 9.578
114 HZ2 LYS 20 1HZ LYS 20 -3.955 -6.608 10.017
115 HZ3 LYS 20 2HZ LYS 20 -2.978 -7.550 11.027
116 H ILE 21 H ILE 21 -6.102 -4.776 5.293
117 HA ILE 21 HA ILE 21 -5.485 -2.337 3.939
118 HB ILE 21 HB ILE 21 -7.681 -2.999 5.902
119 HG12 ILE 21 1HG1 ILE 21 -8.956 -2.670 3.593
120 HG13 ILE 21 2HG1 ILE 21 -7.388 -3.126 2.935
121 HG21 ILE 21 1HG2 ILE 21 -7.392 -0.656 6.022
122 HG22 ILE 21 2HG2 ILE 21 -7.167 -0.521 4.279
123 HG23 ILE 21 3HG2 ILE 21 -8.753 -0.925 4.934
124 HD11 ILE 21 3HD1 ILE 21 -7.655 -5.266 3.491
125 HD12 ILE 21 1HD1 ILE 21 -8.312 -4.872 5.080
126 HD13 ILE 21 2HD1 ILE 21 -9.361 -4.853 3.662
127 H PHE 22 H PHE 22 -4.947 -0.341 4.785
128 HA PHE 22 HA PHE 22 -4.314 -0.203 7.644
129 HB2 PHE 22 1HB PHE 22 -2.429 0.577 5.410
130 HB3 PHE 22 2HB PHE 22 -2.160 0.913 7.117
131 HD1 PHE 22 HD1 PHE 22 -1.746 -0.941 8.691
132 HD2 PHE 22 HD2 PHE 22 -2.014 -1.570 4.490
133 HE1 PHE 22 HE1 PHE 22 -0.659 -3.133 8.954
134 HE2 PHE 22 HE2 PHE 22 -0.929 -3.763 4.746
135 HZ PHE 22 HZ PHE 22 -0.251 -4.548 6.980
136 H ARG 23 H ARG 23 -4.976 1.631 8.567
137 HA ARG 23 HA ARG 23 -6.655 3.446 7.452
138 HB2 ARG 23 1HB ARG 23 -5.956 3.190 9.902
139 HB3 ARG 23 2HB ARG 23 -4.638 4.291 9.523
140 HG2 ARG 23 1HG ARG 23 -6.236 5.716 10.363
141 HG3 ARG 23 2HG ARG 23 -6.521 5.832 8.625
142 HD2 ARG 23 1HD ARG 23 -8.405 4.402 8.748
143 HD3 ARG 23 2HD ARG 23 -8.013 3.912 10.395
144 HE ARG 23 HE ARG 23 -8.438 6.698 10.298
145 HH11 ARG 23 1HH1 ARG 23 -10.160 3.678 10.121
146 HH12 ARG 23 2HH1 ARG 23 -11.638 4.334 10.742
147 HH21 ARG 23 1HH2 ARG 23 -10.379 7.574 11.116
148 HH22 ARG 23 2HH2 ARG 23 -11.762 6.551 11.306
149 H HIS 24 H HIS 24 -3.296 4.385 8.182
150 HA HIS 24 HA HIS 24 -3.377 6.152 5.831
151 HB2 HIS 24 1HB HIS 24 -1.313 7.174 7.077
152 HB3 HIS 24 2HB HIS 24 -2.944 7.556 7.623
153 HD2 HIS 24 HD2 HIS 24 -3.739 6.024 9.973
154 HE1 HIS 24 HE1 HIS 24 0.284 5.344 11.135
155 HE2 HIS 24 HE2 HIS 24 -2.134 5.183 11.819
156 H SER 25 H SER 25 -1.644 6.210 4.390
157 HA SER 25 HA SER 25 -0.539 3.916 3.505
158 HB2 SER 25 1HB SER 25 0.685 6.680 3.456
159 HB3 SER 25 2HB SER 25 1.328 5.319 2.538
160 HG SER 25 HG SER 25 -1.345 6.243 2.332
161 H SER 26 H SER 26 1.106 6.143 5.749
162 HA SER 26 HA SER 26 3.475 5.017 6.207
163 HB2 SER 26 1HB SER 26 1.691 5.650 8.558
164 HB3 SER 26 2HB SER 26 3.440 5.841 8.437
165 HG SER 26 HG SER 26 1.391 7.423 7.364
166 H LEU 27 H LEU 27 0.669 3.945 8.134
167 HA LEU 27 HA LEU 27 1.701 1.783 9.387
168 HB2 LEU 27 1HB LEU 27 -0.998 2.297 8.223
169 HB3 LEU 27 2HB LEU 27 -0.649 0.722 8.932
170 HG LEU 27 HG LEU 27 -0.258 3.280 10.462
171 HD11 LEU 27 1HD1 LEU 27 -2.515 3.469 10.008
172 HD12 LEU 27 2HD1 LEU 27 -2.513 2.542 11.508
173 HD13 LEU 27 3HD1 LEU 27 -2.761 1.723 9.966
174 HD21 LEU 27 3HD2 LEU 27 0.832 1.247 11.306
175 HD22 LEU 27 1HD2 LEU 27 -0.731 0.431 11.332
176 HD23 LEU 27 2HD2 LEU 27 -0.441 1.813 12.388
177 H LEU 28 H LEU 28 0.453 1.815 6.064
178 HA LEU 28 HA LEU 28 0.975 -0.935 5.573
179 HB2 LEU 28 1HB LEU 28 -0.641 0.058 4.202
180 HB3 LEU 28 2HB LEU 28 0.398 1.430 3.823
181 HG LEU 28 HG LEU 28 1.838 -0.138 2.502
182 HD11 LEU 28 1HD1 LEU 28 1.510 -2.302 3.005
183 HD12 LEU 28 2HD1 LEU 28 0.215 -2.190 1.813
184 HD13 LEU 28 3HD1 LEU 28 -0.153 -2.037 3.531
185 HD21 LEU 28 3HD2 LEU 28 0.296 1.295 1.356
186 HD22 LEU 28 1HD2 LEU 28 -1.049 0.210 1.708
187 HD23 LEU 28 2HD2 LEU 28 0.231 -0.301 0.607
188 H ILE 29 H ILE 29 2.792 2.036 5.055
189 HA ILE 29 HA ILE 29 4.850 1.008 3.460
190 HB ILE 29 HB ILE 29 5.058 3.217 5.510
191 HG12 ILE 29 1HG1 ILE 29 4.473 3.432 2.552
192 HG13 ILE 29 2HG1 ILE 29 3.234 3.489 3.801
193 HG21 ILE 29 1HG2 ILE 29 7.234 2.435 4.793
194 HG22 ILE 29 2HG2 ILE 29 6.754 2.572 3.102
195 HG23 ILE 29 3HG2 ILE 29 6.906 4.021 4.095
196 HD11 ILE 29 3HD1 ILE 29 4.498 5.646 2.745
197 HD12 ILE 29 1HD1 ILE 29 3.689 5.612 4.311
198 HD13 ILE 29 2HD1 ILE 29 5.433 5.367 4.213
199 H GLU 30 H GLU 30 4.421 1.041 6.958
200 HA GLU 30 HA GLU 30 7.036 -0.022 7.496
201 HB2 GLU 30 1HB GLU 30 4.588 0.322 9.230
202 HB3 GLU 30 2HB GLU 30 6.118 -0.310 9.822
203 HG2 GLU 30 1HG GLU 30 5.806 2.391 8.539
204 HG3 GLU 30 2HG GLU 30 5.732 2.108 10.277
205 H HIS 31 H HIS 31 3.898 -1.309 6.810
206 HA HIS 31 HA HIS 31 4.412 -3.929 7.869
207 HB2 HIS 31 1HB HIS 31 2.139 -3.484 7.816
208 HB3 HIS 31 2HB HIS 31 2.228 -2.670 6.257
209 HD1 HIS 31 HD1 HIS 31 1.751 -6.003 7.816
210 HD2 HIS 31 HD2 HIS 31 2.191 -4.398 4.009
211 HE1 HIS 31 HE1 HIS 31 1.067 -7.832 6.232
212 H GLN 32 H GLN 32 4.334 -2.487 4.624
213 HA GLN 32 HA GLN 32 4.778 -4.702 3.068
214 HB2 GLN 32 1HB GLN 32 5.844 -1.896 2.766
215 HB3 GLN 32 2HB GLN 32 6.030 -3.128 1.525
216 HG2 GLN 32 1HG GLN 32 3.569 -3.345 1.433
217 HG3 GLN 32 2HG GLN 32 3.443 -2.017 2.585
218 HE21 GLN 32 1HE2 GLN 32 2.353 -2.083 -0.041
219 HE22 GLN 32 2HE2 GLN 32 3.100 -0.816 -0.945
220 H ALA 33 H ALA 33 7.181 -2.782 4.823
221 HA ALA 33 HA ALA 33 9.536 -3.816 3.932
222 HB1 ALA 33 3HB ALA 33 10.013 -3.713 6.621
223 HB2 ALA 33 1HB ALA 33 10.077 -2.337 5.520
224 HB3 ALA 33 2HB ALA 33 8.611 -2.657 6.449
225 H LEU 34 H LEU 34 7.351 -5.304 6.293
226 HA LEU 34 HA LEU 34 8.864 -7.456 7.103
227 HB2 LEU 34 1HB LEU 34 6.935 -8.362 7.920
228 HB3 LEU 34 2HB LEU 34 6.436 -6.686 7.703
229 HG LEU 34 HG LEU 34 5.623 -7.614 5.358
230 HD11 LEU 34 1HD1 LEU 34 4.824 -9.861 5.452
231 HD12 LEU 34 2HD1 LEU 34 5.345 -10.035 7.127
232 HD13 LEU 34 3HD1 LEU 34 6.544 -9.881 5.843
233 HD21 LEU 34 3HD2 LEU 34 4.401 -7.311 7.989
234 HD22 LEU 34 1HD2 LEU 34 3.520 -8.413 6.930
235 HD23 LEU 34 2HD2 LEU 34 3.845 -6.759 6.408
236 H HIS 35 H HIS 35 6.984 -7.089 4.139
237 HA HIS 35 HA HIS 35 7.232 -9.733 3.210
238 HB2 HIS 35 1HB HIS 35 6.786 -7.111 1.789
239 HB3 HIS 35 2HB HIS 35 6.845 -8.646 0.928
240 HD1 HIS 35 HD1 HIS 35 5.160 -10.464 2.581
241 HD2 HIS 35 HD2 HIS 35 4.171 -6.475 1.970
242 HE1 HIS 35 HE1 HIS 35 2.683 -10.316 2.986
243 H ALA 36 H ALA 36 9.312 -6.910 2.888
244 HA ALA 36 HA ALA 36 11.265 -8.544 1.414
245 HB1 ALA 36 3HB ALA 36 10.712 -6.569 0.203
246 HB2 ALA 36 1HB ALA 36 10.946 -5.557 1.629
247 HB3 ALA 36 2HB ALA 36 12.330 -6.343 0.868
248 H GLY 37 H GLY 37 13.605 -7.390 1.900
249 HA2 GLY 37 1HA GLY 37 14.746 -6.426 3.958
250 HA3 GLY 37 2HA GLY 37 13.938 -7.732 4.813
251 H GLU 38 H GLU 38 15.904 -7.394 1.852
252 HA GLU 38 HA GLU 38 17.437 -9.747 2.744
253 HB2 GLU 38 1HB GLU 38 16.630 -8.811 0.007
254 HB3 GLU 38 2HB GLU 38 18.023 -9.862 0.218
255 HG2 GLU 38 1HG GLU 38 16.272 -11.314 -0.257
256 HG3 GLU 38 2HG GLU 38 16.448 -11.407 1.494
257 H SER 39 H SER 39 19.593 -9.583 2.962
258 HA SER 39 HA SER 39 20.779 -6.961 2.804
259 HB2 SER 39 1HB SER 39 21.210 -8.696 4.633
260 HB3 SER 39 2HB SER 39 22.224 -9.530 3.455
261 HG SER 39 HG SER 39 23.729 -8.149 3.894
262 H GLY 40 H GLY 40 21.306 -6.238 0.833
263 HA2 GLY 40 1HA GLY 40 23.482 -7.174 -0.592
264 HA3 GLY 40 2HA GLY 40 22.076 -7.935 -1.322
265 HA PRO 41 HA PRO 41 22.851 -3.668 -3.150
266 HB2 PRO 41 1HB PRO 41 23.304 -4.502 -5.693
267 HB3 PRO 41 2HB PRO 41 24.591 -4.337 -4.493
268 HG2 PRO 41 1HG PRO 41 23.132 -6.796 -5.381
269 HG3 PRO 41 2HG PRO 41 24.865 -6.571 -5.077
270 HD2 PRO 41 1HD PRO 41 23.212 -7.748 -3.284
271 HD3 PRO 41 2HD PRO 41 24.621 -6.784 -2.795
272 H SER 42 H SER 42 20.825 -6.375 -3.649
273 HA SER 42 HA SER 42 19.188 -5.931 -5.709
274 HB2 SER 42 1HB SER 42 18.227 -6.433 -2.882
275 HB3 SER 42 2HB SER 42 17.295 -6.735 -4.348
276 HG SER 42 HG SER 42 19.483 -8.122 -3.304
277 H SER 43 H SER 43 18.776 -3.951 -6.514
278 HA SER 43 HA SER 43 16.824 -2.318 -5.218
279 HB2 SER 43 1HB SER 43 19.640 -1.241 -5.488
280 HB3 SER 43 2HB SER 43 18.224 -0.249 -5.142
281 HG SER 43 HG SER 43 19.302 -2.332 -3.548
282 H GLY 44 H GLY 44 15.535 -2.019 -6.915
283 HA2 GLY 44 1HA GLY 44 16.535 -0.584 -9.220
284 HA3 GLY 44 2HA GLY 44 16.010 -2.226 -9.565
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -7.750 -9.527 18.647
2 HA2 GLY 1 1HA GLY 1 -7.848 -11.837 16.814
3 HA3 GLY 1 2HA GLY 1 -9.253 -11.087 17.557
4 H SER 2 H SER 2 -9.886 -11.212 15.192
5 HA SER 2 HA SER 2 -9.832 -8.610 14.094
6 HB2 SER 2 1HB SER 2 -8.548 -8.966 12.078
7 HB3 SER 2 2HB SER 2 -7.529 -9.364 13.460
8 HG SER 2 HG SER 2 -8.050 -10.892 11.415
9 H SER 3 H SER 3 -11.095 -8.437 12.123
10 HA SER 3 HA SER 3 -12.509 -10.795 11.211
11 HB2 SER 3 1HB SER 3 -13.890 -8.572 12.718
12 HB3 SER 3 2HB SER 3 -14.752 -9.681 11.651
13 HG SER 3 HG SER 3 -13.686 -10.105 14.160
14 H GLY 4 H GLY 4 -14.259 -10.072 9.552
15 HA2 GLY 4 1HA GLY 4 -12.919 -8.199 7.750
16 HA3 GLY 4 2HA GLY 4 -14.182 -9.339 7.311
17 H SER 5 H SER 5 -14.118 -6.893 9.883
18 HA SER 5 HA SER 5 -16.745 -6.062 9.545
19 HB2 SER 5 1HB SER 5 -15.443 -5.522 11.545
20 HB3 SER 5 2HB SER 5 -14.395 -4.467 10.598
21 HG SER 5 HG SER 5 -17.176 -4.124 11.054
22 H SER 6 H SER 6 -13.806 -4.382 8.417
23 HA SER 6 HA SER 6 -15.414 -3.243 6.230
24 HB2 SER 6 1HB SER 6 -14.072 -1.161 6.423
25 HB3 SER 6 2HB SER 6 -15.031 -1.482 7.867
26 HG SER 6 HG SER 6 -12.925 -0.908 8.446
27 H GLY 7 H GLY 7 -14.323 -2.873 4.262
28 HA2 GLY 7 1HA GLY 7 -11.637 -3.151 3.716
29 HA3 GLY 7 2HA GLY 7 -12.282 -4.786 3.687
30 H ALA 8 H ALA 8 -11.283 -2.643 1.644
31 HA ALA 8 HA ALA 8 -11.631 -2.255 -0.573
32 HB1 ALA 8 3HB ALA 8 -12.156 -4.177 -1.546
33 HB2 ALA 8 1HB ALA 8 -12.918 -4.756 -0.065
34 HB3 ALA 8 2HB ALA 8 -13.860 -3.840 -1.242
35 H ALA 9 H ALA 9 -12.942 -0.655 1.406
36 HA ALA 9 HA ALA 9 -15.593 -0.083 0.372
37 HB1 ALA 9 3HB ALA 9 -14.892 1.924 2.176
38 HB2 ALA 9 1HB ALA 9 -15.886 0.502 2.494
39 HB3 ALA 9 2HB ALA 9 -14.151 0.454 2.808
40 H LYS 10 H LYS 10 -12.514 1.675 0.733
41 HA LYS 10 HA LYS 10 -13.046 3.096 -1.746
42 HB2 LYS 10 1HB LYS 10 -13.999 4.380 0.309
43 HB3 LYS 10 2HB LYS 10 -12.313 4.742 0.655
44 HG2 LYS 10 1HG LYS 10 -12.090 6.121 -1.147
45 HG3 LYS 10 2HG LYS 10 -13.324 5.276 -2.085
46 HD2 LYS 10 1HD LYS 10 -13.948 6.933 0.352
47 HD3 LYS 10 2HD LYS 10 -13.948 7.586 -1.288
48 HE2 LYS 10 1HE LYS 10 -15.522 5.509 -1.730
49 HE3 LYS 10 2HE LYS 10 -15.820 5.665 0.001
50 HZ1 LYS 10 3HZ LYS 10 -16.607 7.415 -2.179
51 HZ2 LYS 10 1HZ LYS 10 -16.091 8.191 -0.767
52 HZ3 LYS 10 2HZ LYS 10 -17.381 7.099 -0.709
53 H THR 11 H THR 11 -11.105 4.741 -2.069
54 HA THR 11 HA THR 11 -8.804 3.268 -2.460
55 HB THR 11 HB THR 11 -7.613 5.484 -2.629
56 HG1 THR 11 HG1 THR 11 -8.561 7.186 -1.817
57 HG21 THR 11 3HG2 THR 11 -8.526 5.949 -4.700
58 HG22 THR 11 1HG2 THR 11 -10.178 5.668 -4.153
59 HG23 THR 11 2HG2 THR 11 -9.097 4.303 -4.431
60 H THR 12 H THR 12 -7.899 2.157 -0.814
61 HA THR 12 HA THR 12 -6.889 3.732 1.460
62 HB THR 12 HB THR 12 -7.562 0.859 1.890
63 HG1 THR 12 HG1 THR 12 -9.585 1.276 1.408
64 HG21 THR 12 3HG2 THR 12 -8.260 2.876 3.892
65 HG22 THR 12 1HG2 THR 12 -6.549 2.859 3.466
66 HG23 THR 12 2HG2 THR 12 -7.325 1.390 4.060
67 H SER 13 H SER 13 -4.949 2.914 2.443
68 HA SER 13 HA SER 13 -3.087 1.922 0.512
69 HB2 SER 13 1HB SER 13 -2.622 2.253 3.481
70 HB3 SER 13 2HB SER 13 -1.413 2.252 2.197
71 HG SER 13 HG SER 13 -2.108 4.226 1.532
72 H GLU 14 H GLU 14 -4.645 -0.067 0.346
73 HA GLU 14 HA GLU 14 -4.239 -2.098 2.351
74 HB2 GLU 14 1HB GLU 14 -6.334 -2.252 1.330
75 HB3 GLU 14 2HB GLU 14 -5.678 -1.977 -0.278
76 HG2 GLU 14 1HG GLU 14 -4.608 -4.201 -0.181
77 HG3 GLU 14 2HG GLU 14 -5.386 -4.472 1.377
78 H CYS 15 H CYS 15 -2.882 -3.820 2.282
79 HA CYS 15 HA CYS 15 -0.622 -3.655 0.523
80 HB2 CYS 15 1HB CYS 15 -0.651 -4.408 2.988
81 HB3 CYS 15 2HB CYS 15 -1.216 -5.957 2.370
82 H GLN 16 H GLN 16 -1.506 -3.997 -1.546
83 HA GLN 16 HA GLN 16 -3.159 -6.021 -2.392
84 HB2 GLN 16 1HB GLN 16 -1.945 -5.820 -4.607
85 HB3 GLN 16 2HB GLN 16 -2.588 -4.324 -3.942
86 HG2 GLN 16 1HG GLN 16 0.221 -5.040 -3.309
87 HG3 GLN 16 2HG GLN 16 -0.153 -4.477 -4.937
88 HE21 GLN 16 1HE2 GLN 16 1.492 -2.894 -3.795
89 HE22 GLN 16 2HE2 GLN 16 0.756 -1.475 -3.140
90 H GLU 17 H GLU 17 0.063 -6.269 -1.251
91 HA GLU 17 HA GLU 17 0.861 -8.640 -2.560
92 HB2 GLU 17 1HB GLU 17 1.735 -7.173 -0.112
93 HB3 GLU 17 2HB GLU 17 2.301 -8.821 -0.347
94 HG2 GLU 17 1HG GLU 17 2.965 -7.968 -2.711
95 HG3 GLU 17 2HG GLU 17 2.867 -6.378 -1.958
96 H CYS 18 H CYS 18 -0.354 -8.174 0.763
97 HA CYS 18 HA CYS 18 -1.138 -11.008 0.788
98 HB2 CYS 18 1HB CYS 18 -1.199 -10.770 3.254
99 HB3 CYS 18 2HB CYS 18 0.388 -10.412 2.581
100 H GLY 19 H GLY 19 -2.290 -7.739 1.491
101 HA2 GLY 19 1HA GLY 19 -4.574 -7.211 0.779
102 HA3 GLY 19 2HA GLY 19 -5.045 -8.798 1.368
103 H LYS 20 H LYS 20 -2.907 -6.538 3.020
104 HA LYS 20 HA LYS 20 -4.821 -6.475 5.244
105 HB2 LYS 20 1HB LYS 20 -2.277 -7.184 5.392
106 HB3 LYS 20 2HB LYS 20 -2.028 -5.446 5.496
107 HG2 LYS 20 1HG LYS 20 -3.032 -5.283 7.544
108 HG3 LYS 20 2HG LYS 20 -4.045 -6.705 7.283
109 HD2 LYS 20 1HD LYS 20 -2.360 -8.173 7.860
110 HD3 LYS 20 2HD LYS 20 -1.081 -7.024 7.462
111 HE2 LYS 20 1HE LYS 20 -1.094 -7.171 9.813
112 HE3 LYS 20 2HE LYS 20 -1.900 -5.651 9.429
113 HZ1 LYS 20 3HZ LYS 20 -3.569 -6.370 10.679
114 HZ2 LYS 20 1HZ LYS 20 -2.910 -7.923 10.810
115 HZ3 LYS 20 2HZ LYS 20 -3.898 -7.532 9.495
116 H ILE 21 H ILE 21 -6.076 -4.741 5.343
117 HA ILE 21 HA ILE 21 -5.425 -2.306 3.970
118 HB ILE 21 HB ILE 21 -7.700 -2.920 5.858
119 HG12 ILE 21 1HG1 ILE 21 -8.917 -2.798 3.528
120 HG13 ILE 21 2HG1 ILE 21 -7.319 -3.181 2.899
121 HG21 ILE 21 1HG2 ILE 21 -7.350 -0.606 3.957
122 HG22 ILE 21 2HG2 ILE 21 -8.758 -0.921 4.969
123 HG23 ILE 21 3HG2 ILE 21 -7.210 -0.520 5.713
124 HD11 ILE 21 3HD1 ILE 21 -9.257 -4.947 3.879
125 HD12 ILE 21 1HD1 ILE 21 -7.611 -5.318 3.368
126 HD13 ILE 21 2HD1 ILE 21 -7.946 -4.944 5.059
127 H PHE 22 H PHE 22 -4.730 -0.396 4.791
128 HA PHE 22 HA PHE 22 -4.270 -0.245 7.694
129 HB2 PHE 22 1HB PHE 22 -2.358 0.570 5.497
130 HB3 PHE 22 2HB PHE 22 -2.135 0.955 7.201
131 HD1 PHE 22 HD1 PHE 22 -1.747 -0.870 8.833
132 HD2 PHE 22 HD2 PHE 22 -1.827 -1.565 4.635
133 HE1 PHE 22 HE1 PHE 22 -0.609 -3.025 9.172
134 HE2 PHE 22 HE2 PHE 22 -0.691 -3.722 4.967
135 HZ PHE 22 HZ PHE 22 -0.081 -4.455 7.237
136 H ARG 23 H ARG 23 -4.816 1.634 8.653
137 HA ARG 23 HA ARG 23 -6.586 3.406 7.583
138 HB2 ARG 23 1HB ARG 23 -5.718 3.154 10.015
139 HB3 ARG 23 2HB ARG 23 -4.535 4.370 9.553
140 HG2 ARG 23 1HG ARG 23 -6.213 5.635 10.498
141 HG3 ARG 23 2HG ARG 23 -6.593 5.731 8.777
142 HD2 ARG 23 1HD ARG 23 -8.660 5.208 9.583
143 HD3 ARG 23 2HD ARG 23 -8.025 3.580 9.349
144 HE ARG 23 HE ARG 23 -8.172 3.276 11.600
145 HH11 ARG 23 1HH1 ARG 23 -8.020 6.694 10.960
146 HH12 ARG 23 2HH1 ARG 23 -8.241 7.147 12.618
147 HH21 ARG 23 1HH2 ARG 23 -8.464 3.859 13.785
148 HH22 ARG 23 2HH2 ARG 23 -8.493 5.533 14.224
149 H HIS 24 H HIS 24 -3.171 4.291 8.120
150 HA HIS 24 HA HIS 24 -3.357 6.030 5.748
151 HB2 HIS 24 1HB HIS 24 -1.363 7.217 6.935
152 HB3 HIS 24 2HB HIS 24 -3.003 7.516 7.503
153 HD2 HIS 24 HD2 HIS 24 -3.642 6.227 9.980
154 HE1 HIS 24 HE1 HIS 24 0.415 5.474 10.970
155 HE2 HIS 24 HE2 HIS 24 -1.967 5.440 11.788
156 H SER 25 H SER 25 -1.661 6.056 4.282
157 HA SER 25 HA SER 25 -0.453 3.805 3.489
158 HB2 SER 25 1HB SER 25 0.534 6.642 3.349
159 HB3 SER 25 2HB SER 25 1.480 5.327 2.652
160 HG SER 25 HG SER 25 0.197 5.930 1.018
161 H SER 26 H SER 26 1.121 6.126 5.691
162 HA SER 26 HA SER 26 3.502 5.051 6.210
163 HB2 SER 26 1HB SER 26 1.724 5.697 8.555
164 HB3 SER 26 2HB SER 26 3.453 5.994 8.370
165 HG SER 26 HG SER 26 2.511 7.342 6.454
166 H LEU 27 H LEU 27 0.668 3.989 8.103
167 HA LEU 27 HA LEU 27 1.729 1.882 9.446
168 HB2 LEU 27 1HB LEU 27 -0.967 2.363 8.274
169 HB3 LEU 27 2HB LEU 27 -0.618 0.788 8.982
170 HG LEU 27 HG LEU 27 -0.322 3.388 10.476
171 HD11 LEU 27 1HD1 LEU 27 -2.497 1.916 11.464
172 HD12 LEU 27 2HD1 LEU 27 -2.707 1.997 9.715
173 HD13 LEU 27 3HD1 LEU 27 -2.529 3.481 10.650
174 HD21 LEU 27 3HD2 LEU 27 -0.614 1.667 12.396
175 HD22 LEU 27 1HD2 LEU 27 0.953 1.823 11.602
176 HD23 LEU 27 2HD2 LEU 27 -0.120 0.488 11.179
177 H LEU 28 H LEU 28 0.454 1.780 6.131
178 HA LEU 28 HA LEU 28 1.001 -0.967 5.714
179 HB2 LEU 28 1HB LEU 28 -0.583 -0.035 4.281
180 HB3 LEU 28 2HB LEU 28 0.434 1.355 3.911
181 HG LEU 28 HG LEU 28 1.954 -0.279 2.687
182 HD11 LEU 28 1HD1 LEU 28 -0.042 -2.096 3.689
183 HD12 LEU 28 2HD1 LEU 28 1.494 -2.440 2.896
184 HD13 LEU 28 3HD1 LEU 28 0.046 -2.164 1.929
185 HD21 LEU 28 3HD2 LEU 28 -0.847 0.176 1.666
186 HD22 LEU 28 1HD2 LEU 28 0.553 -0.241 0.679
187 HD23 LEU 28 2HD2 LEU 28 0.506 1.300 1.534
188 H ILE 29 H ILE 29 2.851 1.976 5.188
189 HA ILE 29 HA ILE 29 4.920 0.922 3.627
190 HB ILE 29 HB ILE 29 5.089 3.143 5.668
191 HG12 ILE 29 1HG1 ILE 29 4.602 3.282 2.685
192 HG13 ILE 29 2HG1 ILE 29 3.355 3.466 3.913
193 HG21 ILE 29 1HG2 ILE 29 6.897 3.782 3.781
194 HG22 ILE 29 2HG2 ILE 29 7.290 2.883 5.245
195 HG23 ILE 29 3HG2 ILE 29 7.008 2.023 3.732
196 HD11 ILE 29 3HD1 ILE 29 4.939 5.459 2.783
197 HD12 ILE 29 1HD1 ILE 29 3.832 5.611 4.147
198 HD13 ILE 29 2HD1 ILE 29 5.537 5.257 4.429
199 H GLU 30 H GLU 30 4.454 0.984 7.123
200 HA GLU 30 HA GLU 30 7.043 -0.072 7.729
201 HB2 GLU 30 1HB GLU 30 4.518 0.260 9.341
202 HB3 GLU 30 2HB GLU 30 5.963 -0.488 10.006
203 HG2 GLU 30 1HG GLU 30 5.691 2.325 8.979
204 HG3 GLU 30 2HG GLU 30 5.895 1.816 10.655
205 H HIS 31 H HIS 31 3.867 -1.419 7.133
206 HA HIS 31 HA HIS 31 4.473 -4.049 8.058
207 HB2 HIS 31 1HB HIS 31 2.186 -3.608 8.015
208 HB3 HIS 31 2HB HIS 31 2.263 -2.833 6.436
209 HD1 HIS 31 HD1 HIS 31 1.976 -6.173 8.074
210 HD2 HIS 31 HD2 HIS 31 2.136 -4.579 4.241
211 HE1 HIS 31 HE1 HIS 31 1.298 -8.045 6.539
212 H GLN 32 H GLN 32 4.304 -2.564 4.832
213 HA GLN 32 HA GLN 32 4.804 -4.712 3.225
214 HB2 GLN 32 1HB GLN 32 5.780 -1.870 3.021
215 HB3 GLN 32 2HB GLN 32 6.094 -3.055 1.760
216 HG2 GLN 32 1HG GLN 32 3.592 -3.424 1.675
217 HG3 GLN 32 2HG GLN 32 3.447 -1.982 2.678
218 HE21 GLN 32 1HE2 GLN 32 2.192 -1.822 0.393
219 HE22 GLN 32 2HE2 GLN 32 3.039 -0.851 -0.757
220 H ALA 33 H ALA 33 7.227 -2.756 4.933
221 HA ALA 33 HA ALA 33 9.576 -3.754 4.049
222 HB1 ALA 33 3HB ALA 33 10.550 -3.223 6.147
223 HB2 ALA 33 1HB ALA 33 9.231 -2.079 5.893
224 HB3 ALA 33 2HB ALA 33 9.017 -3.444 6.990
225 H LEU 34 H LEU 34 7.324 -5.394 6.211
226 HA LEU 34 HA LEU 34 8.921 -7.551 6.967
227 HB2 LEU 34 1HB LEU 34 7.013 -8.511 7.795
228 HB3 LEU 34 2HB LEU 34 6.534 -6.818 7.708
229 HG LEU 34 HG LEU 34 5.485 -7.417 5.452
230 HD11 LEU 34 1HD1 LEU 34 4.922 -10.119 6.170
231 HD12 LEU 34 2HD1 LEU 34 6.669 -9.902 6.068
232 HD13 LEU 34 3HD1 LEU 34 5.648 -9.490 4.691
233 HD21 LEU 34 3HD2 LEU 34 4.093 -6.906 7.309
234 HD22 LEU 34 1HD2 LEU 34 4.428 -8.460 8.072
235 HD23 LEU 34 2HD2 LEU 34 3.469 -8.393 6.594
236 H HIS 35 H HIS 35 6.831 -7.138 4.137
237 HA HIS 35 HA HIS 35 7.173 -9.737 3.095
238 HB2 HIS 35 1HB HIS 35 6.402 -7.117 1.817
239 HB3 HIS 35 2HB HIS 35 6.482 -8.622 0.906
240 HD1 HIS 35 HD1 HIS 35 5.109 -10.588 2.694
241 HD2 HIS 35 HD2 HIS 35 3.770 -6.683 2.232
242 HE1 HIS 35 HE1 HIS 35 2.676 -10.632 3.332
243 H ALA 36 H ALA 36 8.878 -6.691 2.471
244 HA ALA 36 HA ALA 36 10.543 -7.467 0.415
245 HB1 ALA 36 3HB ALA 36 12.205 -5.825 1.618
246 HB2 ALA 36 1HB ALA 36 10.716 -5.231 0.881
247 HB3 ALA 36 2HB ALA 36 10.796 -5.487 2.625
248 H GLY 37 H GLY 37 11.526 -9.415 0.413
249 HA2 GLY 37 1HA GLY 37 13.901 -10.038 1.370
250 HA3 GLY 37 2HA GLY 37 12.936 -10.317 2.813
251 H GLU 38 H GLU 38 11.410 -12.020 2.828
252 HA GLU 38 HA GLU 38 11.944 -14.067 0.779
253 HB2 GLU 38 1HB GLU 38 11.522 -14.206 3.723
254 HB3 GLU 38 2HB GLU 38 10.921 -15.541 2.749
255 HG2 GLU 38 1HG GLU 38 13.163 -15.860 1.817
256 HG3 GLU 38 2HG GLU 38 13.759 -14.540 2.821
257 H SER 39 H SER 39 10.299 -13.218 -0.597
258 HA SER 39 HA SER 39 7.563 -13.198 0.356
259 HB2 SER 39 1HB SER 39 6.989 -12.383 -1.854
260 HB3 SER 39 2HB SER 39 8.401 -11.502 -1.272
261 HG SER 39 HG SER 39 8.525 -13.765 -2.979
262 H GLY 40 H GLY 40 9.520 -15.055 -1.955
263 HA2 GLY 40 1HA GLY 40 8.848 -17.555 -1.597
264 HA3 GLY 40 2HA GLY 40 7.322 -16.975 -2.249
265 HA PRO 41 HA PRO 41 10.683 -17.930 -5.573
266 HB2 PRO 41 1HB PRO 41 10.300 -20.586 -5.984
267 HB3 PRO 41 2HB PRO 41 11.495 -19.952 -4.845
268 HG2 PRO 41 1HG PRO 41 8.746 -21.012 -4.312
269 HG3 PRO 41 2HG PRO 41 10.250 -21.301 -3.418
270 HD2 PRO 41 1HD PRO 41 8.377 -19.531 -2.586
271 HD3 PRO 41 2HD PRO 41 10.112 -19.296 -2.290
272 H SER 42 H SER 42 7.388 -18.280 -4.991
273 HA SER 42 HA SER 42 6.802 -18.721 -7.842
274 HB2 SER 42 1HB SER 42 5.210 -19.245 -5.342
275 HB3 SER 42 2HB SER 42 4.416 -19.106 -6.911
276 HG SER 42 HG SER 42 6.634 -20.781 -6.752
277 H SER 43 H SER 43 5.584 -17.268 -8.981
278 HA SER 43 HA SER 43 5.372 -14.612 -7.818
279 HB2 SER 43 1HB SER 43 6.254 -15.267 -10.210
280 HB3 SER 43 2HB SER 43 4.541 -15.240 -10.627
281 HG SER 43 HG SER 43 4.833 -13.171 -10.809
282 H GLY 44 H GLY 44 3.514 -13.572 -7.336
283 HA2 GLY 44 1HA GLY 44 1.280 -13.241 -6.923
284 HA3 GLY 44 2HA GLY 44 0.976 -14.157 -8.391
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -10.570 -16.652 7.504
2 HA2 GLY 1 1HA GLY 1 -12.460 -18.126 6.293
3 HA3 GLY 1 2HA GLY 1 -13.108 -17.993 7.921
4 H SER 2 H SER 2 -14.877 -16.954 6.621
5 HA SER 2 HA SER 2 -14.883 -14.701 5.183
6 HB2 SER 2 1HB SER 2 -17.041 -14.136 6.097
7 HB3 SER 2 2HB SER 2 -16.913 -15.895 6.056
8 HG SER 2 HG SER 2 -17.597 -14.556 8.100
9 H SER 3 H SER 3 -14.453 -14.793 8.701
10 HA SER 3 HA SER 3 -14.356 -12.038 9.157
11 HB2 SER 3 1HB SER 3 -13.240 -12.584 11.257
12 HB3 SER 3 2HB SER 3 -14.532 -13.744 10.948
13 HG SER 3 HG SER 3 -12.901 -15.055 11.407
14 H GLY 4 H GLY 4 -12.703 -10.541 9.223
15 HA2 GLY 4 1HA GLY 4 -10.115 -10.486 9.228
16 HA3 GLY 4 2HA GLY 4 -10.315 -11.290 7.678
17 H SER 5 H SER 5 -11.957 -10.076 6.202
18 HA SER 5 HA SER 5 -10.822 -7.590 5.568
19 HB2 SER 5 1HB SER 5 -12.720 -7.371 3.968
20 HB3 SER 5 2HB SER 5 -11.913 -8.936 3.867
21 HG SER 5 HG SER 5 -14.448 -8.549 4.191
22 H SER 6 H SER 6 -10.930 -5.901 6.908
23 HA SER 6 HA SER 6 -13.456 -5.316 8.276
24 HB2 SER 6 1HB SER 6 -10.627 -4.362 8.733
25 HB3 SER 6 2HB SER 6 -12.018 -3.660 9.561
26 HG SER 6 HG SER 6 -11.077 -6.330 9.692
27 H GLY 7 H GLY 7 -10.862 -3.446 6.682
28 HA2 GLY 7 1HA GLY 7 -12.375 -1.118 6.298
29 HA3 GLY 7 2HA GLY 7 -10.944 -1.560 5.378
30 H ALA 8 H ALA 8 -13.661 -0.364 4.691
31 HA ALA 8 HA ALA 8 -14.564 -2.345 2.723
32 HB1 ALA 8 3HB ALA 8 -16.277 -1.394 4.196
33 HB2 ALA 8 1HB ALA 8 -15.887 0.220 3.600
34 HB3 ALA 8 2HB ALA 8 -16.569 -0.984 2.506
35 H ALA 9 H ALA 9 -13.568 1.051 2.987
36 HA ALA 9 HA ALA 9 -13.712 1.614 0.216
37 HB1 ALA 9 3HB ALA 9 -13.748 3.435 1.751
38 HB2 ALA 9 1HB ALA 9 -12.205 2.951 2.455
39 HB3 ALA 9 2HB ALA 9 -12.265 3.574 0.806
40 H LYS 10 H LYS 10 -12.365 1.145 -1.397
41 HA LYS 10 HA LYS 10 -10.046 -0.474 -0.908
42 HB2 LYS 10 1HB LYS 10 -11.574 -0.779 -2.863
43 HB3 LYS 10 2HB LYS 10 -10.981 0.744 -3.512
44 HG2 LYS 10 1HG LYS 10 -9.807 -0.971 -4.628
45 HG3 LYS 10 2HG LYS 10 -8.676 -0.261 -3.473
46 HD2 LYS 10 1HD LYS 10 -9.053 -2.092 -1.931
47 HD3 LYS 10 2HD LYS 10 -10.275 -2.778 -3.005
48 HE2 LYS 10 1HE LYS 10 -8.394 -2.838 -4.759
49 HE3 LYS 10 2HE LYS 10 -7.304 -2.610 -3.392
50 HZ1 LYS 10 3HZ LYS 10 -7.548 -4.941 -3.878
51 HZ2 LYS 10 1HZ LYS 10 -9.232 -4.842 -3.746
52 HZ3 LYS 10 2HZ LYS 10 -8.261 -4.610 -2.381
53 H THR 11 H THR 11 -10.648 2.835 -1.985
54 HA THR 11 HA THR 11 -8.199 3.670 -2.824
55 HB THR 11 HB THR 11 -10.140 5.159 -2.753
56 HG1 THR 11 HG1 THR 11 -8.234 6.464 -1.149
57 HG21 THR 11 3HG2 THR 11 -10.974 6.135 -0.766
58 HG22 THR 11 1HG2 THR 11 -9.624 5.526 0.191
59 HG23 THR 11 2HG2 THR 11 -10.841 4.409 -0.428
60 H THR 12 H THR 12 -9.040 2.629 0.344
61 HA THR 12 HA THR 12 -7.156 3.944 1.917
62 HB THR 12 HB THR 12 -7.932 1.060 2.335
63 HG1 THR 12 HG1 THR 12 -9.470 3.395 2.499
64 HG21 THR 12 3HG2 THR 12 -7.884 1.858 4.744
65 HG22 THR 12 1HG2 THR 12 -7.116 3.327 4.143
66 HG23 THR 12 2HG2 THR 12 -6.325 1.766 3.925
67 H SER 13 H SER 13 -5.183 3.009 2.893
68 HA SER 13 HA SER 13 -3.392 2.134 0.826
69 HB2 SER 13 1HB SER 13 -2.774 2.372 3.774
70 HB3 SER 13 2HB SER 13 -1.643 2.455 2.423
71 HG SER 13 HG SER 13 -2.582 4.413 1.814
72 H GLU 14 H GLU 14 -4.986 0.139 0.724
73 HA GLU 14 HA GLU 14 -4.391 -1.944 2.631
74 HB2 GLU 14 1HB GLU 14 -6.597 -1.985 1.770
75 HB3 GLU 14 2HB GLU 14 -6.036 -1.833 0.111
76 HG2 GLU 14 1HG GLU 14 -4.971 -4.097 0.385
77 HG3 GLU 14 2HG GLU 14 -5.848 -4.231 1.908
78 H CYS 15 H CYS 15 -3.100 -3.711 2.344
79 HA CYS 15 HA CYS 15 -1.009 -3.474 0.382
80 HB2 CYS 15 1HB CYS 15 -0.778 -4.291 2.811
81 HB3 CYS 15 2HB CYS 15 -1.421 -5.821 2.223
82 H GLN 16 H GLN 16 -1.521 -3.990 -1.658
83 HA GLN 16 HA GLN 16 -3.464 -5.887 -2.414
84 HB2 GLN 16 1HB GLN 16 -2.488 -5.660 -4.684
85 HB3 GLN 16 2HB GLN 16 -2.836 -4.112 -3.925
86 HG2 GLN 16 1HG GLN 16 -0.775 -3.669 -4.760
87 HG3 GLN 16 2HG GLN 16 -0.318 -4.299 -3.179
88 HE21 GLN 16 1HE2 GLN 16 1.716 -4.894 -3.955
89 HE22 GLN 16 2HE2 GLN 16 1.936 -6.275 -4.970
90 H GLU 17 H GLU 17 -0.240 -6.239 -1.362
91 HA GLU 17 HA GLU 17 0.436 -8.627 -2.742
92 HB2 GLU 17 1HB GLU 17 1.497 -7.197 -0.337
93 HB3 GLU 17 2HB GLU 17 2.031 -8.840 -0.663
94 HG2 GLU 17 1HG GLU 17 2.217 -6.598 -2.657
95 HG3 GLU 17 2HG GLU 17 3.517 -7.047 -1.554
96 H CYS 18 H CYS 18 -0.749 -8.033 0.564
97 HA CYS 18 HA CYS 18 -1.501 -10.876 0.719
98 HB2 CYS 18 1HB CYS 18 -1.513 -10.539 3.185
99 HB3 CYS 18 2HB CYS 18 0.066 -10.260 2.457
100 H GLY 19 H GLY 19 -2.611 -7.584 1.424
101 HA2 GLY 19 1HA GLY 19 -4.889 -7.003 0.780
102 HA3 GLY 19 2HA GLY 19 -5.377 -8.609 1.301
103 H LYS 20 H LYS 20 -3.281 -6.282 2.958
104 HA LYS 20 HA LYS 20 -5.164 -6.345 5.219
105 HB2 LYS 20 1HB LYS 20 -2.621 -7.086 5.333
106 HB3 LYS 20 2HB LYS 20 -2.363 -5.356 5.519
107 HG2 LYS 20 1HG LYS 20 -3.414 -5.279 7.561
108 HG3 LYS 20 2HG LYS 20 -4.375 -6.725 7.241
109 HD2 LYS 20 1HD LYS 20 -2.641 -8.155 7.769
110 HD3 LYS 20 2HD LYS 20 -1.402 -6.945 7.426
111 HE2 LYS 20 1HE LYS 20 -2.235 -5.685 9.439
112 HE3 LYS 20 2HE LYS 20 -3.228 -7.091 9.817
113 HZ1 LYS 20 3HZ LYS 20 -0.660 -8.028 9.364
114 HZ2 LYS 20 1HZ LYS 20 -1.480 -7.947 10.842
115 HZ3 LYS 20 2HZ LYS 20 -0.490 -6.666 10.353
116 H ILE 21 H ILE 21 -6.371 -4.591 5.443
117 HA ILE 21 HA ILE 21 -5.789 -2.143 4.093
118 HB ILE 21 HB ILE 21 -7.873 -2.740 6.197
119 HG12 ILE 21 1HG1 ILE 21 -9.334 -2.589 4.033
120 HG13 ILE 21 2HG1 ILE 21 -7.821 -2.931 3.203
121 HG21 ILE 21 1HG2 ILE 21 -8.975 -0.705 5.067
122 HG22 ILE 21 2HG2 ILE 21 -7.672 -0.423 6.220
123 HG23 ILE 21 3HG2 ILE 21 -7.351 -0.335 4.489
124 HD11 ILE 21 3HD1 ILE 21 -7.867 -5.082 3.777
125 HD12 ILE 21 1HD1 ILE 21 -8.366 -4.730 5.431
126 HD13 ILE 21 2HD1 ILE 21 -9.568 -4.795 4.142
127 H PHE 22 H PHE 22 -5.060 -0.217 4.888
128 HA PHE 22 HA PHE 22 -4.284 -0.122 7.722
129 HB2 PHE 22 1HB PHE 22 -2.571 0.658 5.356
130 HB3 PHE 22 2HB PHE 22 -2.182 1.047 7.028
131 HD1 PHE 22 HD1 PHE 22 -1.730 -0.803 8.640
132 HD2 PHE 22 HD2 PHE 22 -2.109 -1.465 4.452
133 HE1 PHE 22 HE1 PHE 22 -0.606 -2.978 8.885
134 HE2 PHE 22 HE2 PHE 22 -0.987 -3.642 4.691
135 HZ PHE 22 HZ PHE 22 -0.235 -4.401 6.910
136 H ARG 23 H ARG 23 -4.790 1.722 8.741
137 HA ARG 23 HA ARG 23 -6.569 3.559 7.797
138 HB2 ARG 23 1HB ARG 23 -5.728 3.248 10.181
139 HB3 ARG 23 2HB ARG 23 -4.393 4.306 9.745
140 HG2 ARG 23 1HG ARG 23 -5.928 5.721 10.765
141 HG3 ARG 23 2HG ARG 23 -6.197 5.979 9.040
142 HD2 ARG 23 1HD ARG 23 -8.329 5.789 10.116
143 HD3 ARG 23 2HD ARG 23 -8.063 4.338 9.150
144 HE ARG 23 HE ARG 23 -7.167 3.656 11.627
145 HH11 ARG 23 1HH1 ARG 23 -10.153 4.942 10.383
146 HH12 ARG 23 2HH1 ARG 23 -11.134 4.193 11.599
147 HH21 ARG 23 1HH2 ARG 23 -8.448 2.664 13.233
148 HH22 ARG 23 2HH2 ARG 23 -10.163 2.899 13.221
149 H HIS 24 H HIS 24 -3.078 4.237 8.125
150 HA HIS 24 HA HIS 24 -3.333 6.093 5.849
151 HB2 HIS 24 1HB HIS 24 -1.213 7.141 7.014
152 HB3 HIS 24 2HB HIS 24 -2.835 7.558 7.560
153 HD2 HIS 24 HD2 HIS 24 -3.623 6.137 9.975
154 HE1 HIS 24 HE1 HIS 24 0.400 5.421 11.114
155 HE2 HIS 24 HE2 HIS 24 -2.012 5.333 11.832
156 H SER 25 H SER 25 -1.048 6.551 4.892
157 HA SER 25 HA SER 25 -0.127 4.174 3.727
158 HB2 SER 25 1HB SER 25 0.922 6.987 3.810
159 HB3 SER 25 2HB SER 25 1.876 5.707 3.062
160 HG SER 25 HG SER 25 -0.245 5.271 1.910
161 H SER 26 H SER 26 1.528 6.295 6.070
162 HA SER 26 HA SER 26 3.842 5.073 6.554
163 HB2 SER 26 1HB SER 26 3.873 6.055 8.640
164 HB3 SER 26 2HB SER 26 2.527 6.933 7.914
165 HG SER 26 HG SER 26 1.939 6.164 9.952
166 H LEU 27 H LEU 27 0.819 3.986 8.103
167 HA LEU 27 HA LEU 27 1.773 1.786 9.450
168 HB2 LEU 27 1HB LEU 27 -0.852 2.439 8.195
169 HB3 LEU 27 2HB LEU 27 -0.593 0.824 8.851
170 HG LEU 27 HG LEU 27 -0.244 3.342 10.468
171 HD11 LEU 27 1HD1 LEU 27 -2.670 1.973 9.622
172 HD12 LEU 27 2HD1 LEU 27 -2.462 3.555 10.373
173 HD13 LEU 27 3HD1 LEU 27 -2.522 2.105 11.374
174 HD21 LEU 27 3HD2 LEU 27 0.886 1.657 11.578
175 HD22 LEU 27 1HD2 LEU 27 -0.240 0.408 11.047
176 HD23 LEU 27 2HD2 LEU 27 -0.724 1.559 12.293
177 H LEU 28 H LEU 28 0.530 1.875 6.114
178 HA LEU 28 HA LEU 28 1.036 -0.850 5.563
179 HB2 LEU 28 1HB LEU 28 -0.503 0.202 4.158
180 HB3 LEU 28 2HB LEU 28 0.565 1.573 3.864
181 HG LEU 28 HG LEU 28 2.039 0.002 2.558
182 HD11 LEU 28 1HD1 LEU 28 1.607 -2.168 2.891
183 HD12 LEU 28 2HD1 LEU 28 0.319 -1.934 1.709
184 HD13 LEU 28 3HD1 LEU 28 -0.042 -1.858 3.434
185 HD21 LEU 28 3HD2 LEU 28 0.147 1.580 1.696
186 HD22 LEU 28 1HD2 LEU 28 -0.678 0.066 1.324
187 HD23 LEU 28 2HD2 LEU 28 0.894 0.413 0.603
188 H ILE 29 H ILE 29 2.983 2.053 5.281
189 HA ILE 29 HA ILE 29 5.049 1.027 3.680
190 HB ILE 29 HB ILE 29 5.222 3.149 5.824
191 HG12 ILE 29 1HG1 ILE 29 4.787 3.395 2.839
192 HG13 ILE 29 2HG1 ILE 29 3.553 3.635 4.071
193 HG21 ILE 29 1HG2 ILE 29 7.173 3.927 4.424
194 HG22 ILE 29 2HG2 ILE 29 7.426 2.442 5.340
195 HG23 ILE 29 3HG2 ILE 29 7.099 2.365 3.609
196 HD11 ILE 29 3HD1 ILE 29 5.561 5.458 3.075
197 HD12 ILE 29 1HD1 ILE 29 4.099 5.781 4.006
198 HD13 ILE 29 2HD1 ILE 29 5.591 5.334 4.834
199 H GLU 30 H GLU 30 4.550 0.984 7.178
200 HA GLU 30 HA GLU 30 7.087 -0.200 7.759
201 HB2 GLU 30 1HB GLU 30 4.584 0.300 9.338
202 HB3 GLU 30 2HB GLU 30 5.872 -0.695 10.004
203 HG2 GLU 30 1HG GLU 30 6.171 2.151 9.070
204 HG3 GLU 30 2HG GLU 30 6.011 1.631 10.747
205 H HIS 31 H HIS 31 3.865 -1.394 7.096
206 HA HIS 31 HA HIS 31 4.376 -4.079 7.932
207 HB2 HIS 31 1HB HIS 31 2.106 -3.509 7.941
208 HB3 HIS 31 2HB HIS 31 2.195 -2.740 6.359
209 HD1 HIS 31 HD1 HIS 31 1.858 -6.086 7.999
210 HD2 HIS 31 HD2 HIS 31 1.896 -4.458 4.177
211 HE1 HIS 31 HE1 HIS 31 1.064 -7.924 6.478
212 H GLN 32 H GLN 32 4.409 -2.380 4.829
213 HA GLN 32 HA GLN 32 4.757 -4.528 3.116
214 HB2 GLN 32 1HB GLN 32 5.661 -1.669 3.013
215 HB3 GLN 32 2HB GLN 32 6.132 -2.793 1.745
216 HG2 GLN 32 1HG GLN 32 3.532 -3.296 1.745
217 HG3 GLN 32 2HG GLN 32 3.474 -1.656 2.388
218 HE21 GLN 32 1HE2 GLN 32 2.353 -1.103 0.440
219 HE22 GLN 32 2HE2 GLN 32 3.237 -0.804 -1.013
220 H ALA 33 H ALA 33 7.212 -2.690 4.898
221 HA ALA 33 HA ALA 33 9.543 -3.678 3.936
222 HB1 ALA 33 3HB ALA 33 9.597 -2.078 5.690
223 HB2 ALA 33 1HB ALA 33 8.781 -3.176 6.804
224 HB3 ALA 33 2HB ALA 33 10.432 -3.514 6.282
225 H LEU 34 H LEU 34 7.305 -5.356 6.088
226 HA LEU 34 HA LEU 34 8.868 -7.560 6.751
227 HB2 LEU 34 1HB LEU 34 6.958 -8.509 7.566
228 HB3 LEU 34 2HB LEU 34 6.472 -6.816 7.494
229 HG LEU 34 HG LEU 34 5.479 -7.440 5.189
230 HD11 LEU 34 1HD1 LEU 34 4.787 -10.078 5.973
231 HD12 LEU 34 2HD1 LEU 34 6.545 -9.945 5.974
232 HD13 LEU 34 3HD1 LEU 34 5.632 -9.545 4.520
233 HD21 LEU 34 3HD2 LEU 34 4.439 -7.982 7.910
234 HD22 LEU 34 1HD2 LEU 34 3.498 -8.585 6.545
235 HD23 LEU 34 2HD2 LEU 34 3.860 -6.864 6.675
236 H HIS 35 H HIS 35 6.822 -7.000 3.919
237 HA HIS 35 HA HIS 35 7.118 -9.573 2.792
238 HB2 HIS 35 1HB HIS 35 6.401 -6.898 1.598
239 HB3 HIS 35 2HB HIS 35 6.454 -8.375 0.642
240 HD1 HIS 35 HD1 HIS 35 5.026 -10.373 2.332
241 HD2 HIS 35 HD2 HIS 35 3.785 -6.418 2.052
242 HE1 HIS 35 HE1 HIS 35 2.593 -10.385 2.969
243 H ALA 36 H ALA 36 8.799 -6.507 2.134
244 HA ALA 36 HA ALA 36 10.702 -7.844 0.400
245 HB1 ALA 36 3HB ALA 36 10.252 -4.990 1.199
246 HB2 ALA 36 1HB ALA 36 11.717 -5.483 0.349
247 HB3 ALA 36 2HB ALA 36 10.138 -5.729 -0.399
248 H GLY 37 H GLY 37 12.065 -9.137 1.525
249 HA2 GLY 37 1HA GLY 37 13.957 -7.823 3.299
250 HA3 GLY 37 2HA GLY 37 12.995 -9.098 4.032
251 H GLU 38 H GLU 38 13.759 -11.107 3.926
252 HA GLU 38 HA GLU 38 16.023 -11.613 2.124
253 HB2 GLU 38 1HB GLU 38 15.248 -12.641 4.813
254 HB3 GLU 38 2HB GLU 38 16.156 -13.708 3.752
255 HG2 GLU 38 1HG GLU 38 17.795 -12.667 5.011
256 HG3 GLU 38 2HG GLU 38 17.792 -11.753 3.504
257 H SER 39 H SER 39 15.758 -12.908 0.436
258 HA SER 39 HA SER 39 13.458 -14.751 0.433
259 HB2 SER 39 1HB SER 39 13.142 -12.948 -1.183
260 HB3 SER 39 2HB SER 39 14.714 -13.291 -1.905
261 HG SER 39 HG SER 39 13.942 -15.169 -2.720
262 H GLY 40 H GLY 40 13.724 -16.708 -0.868
263 HA2 GLY 40 1HA GLY 40 14.931 -18.495 -1.719
264 HA3 GLY 40 2HA GLY 40 16.384 -17.510 -1.638
265 HA PRO 41 HA PRO 41 15.644 -19.630 2.683
266 HB2 PRO 41 1HB PRO 41 14.174 -21.909 2.558
267 HB3 PRO 41 2HB PRO 41 13.462 -20.323 2.877
268 HG2 PRO 41 1HG PRO 41 13.586 -21.863 0.312
269 HG3 PRO 41 2HG PRO 41 12.233 -20.951 1.006
270 HD2 PRO 41 1HD PRO 41 13.803 -19.956 -0.964
271 HD3 PRO 41 2HD PRO 41 13.059 -18.926 0.277
272 H SER 42 H SER 42 16.673 -20.666 -0.269
273 HA SER 42 HA SER 42 17.524 -23.225 -0.174
274 HB2 SER 42 1HB SER 42 18.772 -20.736 -1.239
275 HB3 SER 42 2HB SER 42 19.764 -22.194 -1.193
276 HG SER 42 HG SER 42 17.520 -21.610 -2.726
277 H SER 43 H SER 43 19.063 -20.505 1.497
278 HA SER 43 HA SER 43 20.487 -20.413 3.268
279 HB2 SER 43 1HB SER 43 18.842 -21.873 4.370
280 HB3 SER 43 2HB SER 43 19.640 -23.291 3.689
281 HG SER 43 HG SER 43 20.473 -23.066 5.703
282 H GLY 44 H GLY 44 21.633 -20.844 0.802
283 HA2 GLY 44 1HA GLY 44 23.530 -21.619 -0.247
284 HA3 GLY 44 2HA GLY 44 24.226 -21.540 1.364
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -13.992 -15.693 9.481
2 HA2 GLY 1 1HA GLY 1 -15.762 -13.696 9.836
3 HA3 GLY 1 2HA GLY 1 -15.798 -15.146 10.829
4 H SER 2 H SER 2 -13.938 -12.108 10.631
5 HA SER 2 HA SER 2 -13.894 -12.028 13.563
6 HB2 SER 2 1HB SER 2 -12.101 -10.371 13.315
7 HB3 SER 2 2HB SER 2 -11.720 -11.839 12.416
8 HG SER 2 HG SER 2 -13.071 -9.803 11.070
9 H SER 3 H SER 3 -15.961 -11.258 13.980
10 HA SER 3 HA SER 3 -17.258 -9.159 12.700
11 HB2 SER 3 1HB SER 3 -18.594 -8.954 14.785
12 HB3 SER 3 2HB SER 3 -18.423 -10.627 14.254
13 HG SER 3 HG SER 3 -18.025 -10.501 16.462
14 H GLY 4 H GLY 4 -17.603 -6.957 13.345
15 HA2 GLY 4 1HA GLY 4 -17.016 -5.029 14.641
16 HA3 GLY 4 2HA GLY 4 -15.499 -5.814 15.055
17 H SER 5 H SER 5 -13.891 -4.648 14.244
18 HA SER 5 HA SER 5 -13.994 -2.798 12.211
19 HB2 SER 5 1HB SER 5 -11.530 -3.040 12.061
20 HB3 SER 5 2HB SER 5 -12.093 -2.954 13.730
21 HG SER 5 HG SER 5 -10.851 -5.006 12.393
22 H SER 6 H SER 6 -14.992 -3.337 10.334
23 HA SER 6 HA SER 6 -14.052 -5.703 8.878
24 HB2 SER 6 1HB SER 6 -16.051 -5.436 7.492
25 HB3 SER 6 2HB SER 6 -16.492 -5.468 9.199
26 HG SER 6 HG SER 6 -17.272 -3.697 7.575
27 H GLY 7 H GLY 7 -12.060 -4.812 8.186
28 HA2 GLY 7 1HA GLY 7 -10.662 -3.492 6.895
29 HA3 GLY 7 2HA GLY 7 -11.853 -3.878 5.662
30 H ALA 8 H ALA 8 -11.463 -1.867 4.647
31 HA ALA 8 HA ALA 8 -13.032 0.294 5.800
32 HB1 ALA 8 3HB ALA 8 -10.622 0.583 6.528
33 HB2 ALA 8 1HB ALA 8 -10.248 0.886 4.832
34 HB3 ALA 8 2HB ALA 8 -11.358 1.951 5.694
35 H ALA 9 H ALA 9 -13.024 2.212 4.150
36 HA ALA 9 HA ALA 9 -14.304 1.449 1.853
37 HB1 ALA 9 3HB ALA 9 -12.638 3.936 2.218
38 HB2 ALA 9 1HB ALA 9 -13.890 3.697 0.998
39 HB3 ALA 9 2HB ALA 9 -14.320 3.735 2.709
40 H LYS 10 H LYS 10 -13.591 1.828 -0.440
41 HA LYS 10 HA LYS 10 -11.474 0.097 -1.089
42 HB2 LYS 10 1HB LYS 10 -13.230 1.964 -2.611
43 HB3 LYS 10 2HB LYS 10 -11.781 1.365 -3.407
44 HG2 LYS 10 1HG LYS 10 -13.867 -0.406 -2.158
45 HG3 LYS 10 2HG LYS 10 -13.834 0.041 -3.865
46 HD2 LYS 10 1HD LYS 10 -11.550 -0.938 -4.012
47 HD3 LYS 10 2HD LYS 10 -11.727 -1.495 -2.346
48 HE2 LYS 10 1HE LYS 10 -12.400 -3.371 -3.464
49 HE3 LYS 10 2HE LYS 10 -13.949 -2.546 -3.296
50 HZ1 LYS 10 3HZ LYS 10 -12.291 -2.917 -5.685
51 HZ2 LYS 10 1HZ LYS 10 -13.249 -1.526 -5.579
52 HZ3 LYS 10 2HZ LYS 10 -13.968 -3.055 -5.506
53 H THR 11 H THR 11 -11.698 3.644 -1.273
54 HA THR 11 HA THR 11 -9.012 3.999 -2.139
55 HB THR 11 HB THR 11 -9.355 6.386 -1.587
56 HG1 THR 11 HG1 THR 11 -10.940 5.630 0.210
57 HG21 THR 11 3HG2 THR 11 -11.758 6.361 -2.918
58 HG22 THR 11 1HG2 THR 11 -11.067 4.795 -3.342
59 HG23 THR 11 2HG2 THR 11 -10.168 6.275 -3.676
60 H THR 12 H THR 12 -8.057 2.529 -0.495
61 HA THR 12 HA THR 12 -7.108 4.104 1.766
62 HB THR 12 HB THR 12 -7.884 1.287 2.381
63 HG1 THR 12 HG1 THR 12 -9.972 1.840 2.755
64 HG21 THR 12 3HG2 THR 12 -7.404 3.832 3.873
65 HG22 THR 12 1HG2 THR 12 -6.735 2.225 4.154
66 HG23 THR 12 2HG2 THR 12 -8.406 2.575 4.598
67 H SER 13 H SER 13 -5.151 3.291 2.702
68 HA SER 13 HA SER 13 -3.390 2.157 0.776
69 HB2 SER 13 1HB SER 13 -2.753 2.395 3.708
70 HB3 SER 13 2HB SER 13 -1.667 2.552 2.328
71 HG SER 13 HG SER 13 -2.887 4.480 1.790
72 H GLU 14 H GLU 14 -4.221 0.112 0.268
73 HA GLU 14 HA GLU 14 -4.088 -1.891 2.419
74 HB2 GLU 14 1HB GLU 14 -6.246 -1.957 1.471
75 HB3 GLU 14 2HB GLU 14 -5.624 -1.797 -0.166
76 HG2 GLU 14 1HG GLU 14 -4.624 -4.050 0.043
77 HG3 GLU 14 2HG GLU 14 -5.388 -4.204 1.624
78 H CYS 15 H CYS 15 -2.827 -3.701 2.210
79 HA CYS 15 HA CYS 15 -0.637 -3.514 0.345
80 HB2 CYS 15 1HB CYS 15 -0.461 -4.249 2.779
81 HB3 CYS 15 2HB CYS 15 -1.177 -5.774 2.269
82 H GLN 16 H GLN 16 -1.029 -4.099 -1.698
83 HA GLN 16 HA GLN 16 -2.966 -5.994 -2.491
84 HB2 GLN 16 1HB GLN 16 -1.915 -5.824 -4.721
85 HB3 GLN 16 2HB GLN 16 -2.232 -4.248 -4.006
86 HG2 GLN 16 1HG GLN 16 -0.131 -3.907 -4.800
87 HG3 GLN 16 2HG GLN 16 0.248 -4.488 -3.179
88 HE21 GLN 16 1HE2 GLN 16 2.281 -5.198 -3.827
89 HE22 GLN 16 2HE2 GLN 16 2.494 -6.616 -4.790
90 H GLU 17 H GLU 17 0.206 -6.339 -1.288
91 HA GLU 17 HA GLU 17 0.969 -8.738 -2.572
92 HB2 GLU 17 1HB GLU 17 1.774 -7.677 0.143
93 HB3 GLU 17 2HB GLU 17 2.586 -8.972 -0.725
94 HG2 GLU 17 1HG GLU 17 3.549 -7.555 -2.231
95 HG3 GLU 17 2HG GLU 17 2.269 -6.352 -2.084
96 H CYS 18 H CYS 18 -0.517 -8.145 0.609
97 HA CYS 18 HA CYS 18 -1.343 -10.973 0.650
98 HB2 CYS 18 1HB CYS 18 -1.437 -10.750 3.117
99 HB3 CYS 18 2HB CYS 18 0.179 -10.472 2.475
100 H GLY 19 H GLY 19 -2.338 -7.653 1.347
101 HA2 GLY 19 1HA GLY 19 -4.569 -6.981 0.625
102 HA3 GLY 19 2HA GLY 19 -5.140 -8.561 1.140
103 H LYS 20 H LYS 20 -2.989 -6.337 2.861
104 HA LYS 20 HA LYS 20 -4.921 -6.328 5.076
105 HB2 LYS 20 1HB LYS 20 -2.383 -7.072 5.233
106 HB3 LYS 20 2HB LYS 20 -2.122 -5.341 5.399
107 HG2 LYS 20 1HG LYS 20 -3.121 -5.243 7.443
108 HG3 LYS 20 2HG LYS 20 -4.191 -6.607 7.110
109 HD2 LYS 20 1HD LYS 20 -2.550 -8.175 7.603
110 HD3 LYS 20 2HD LYS 20 -1.235 -7.025 7.350
111 HE2 LYS 20 1HE LYS 20 -3.217 -6.637 9.564
112 HE3 LYS 20 2HE LYS 20 -1.844 -7.724 9.763
113 HZ1 LYS 20 3HZ LYS 20 -0.543 -5.995 10.158
114 HZ2 LYS 20 1HZ LYS 20 -1.880 -4.964 10.065
115 HZ3 LYS 20 2HZ LYS 20 -0.957 -5.278 8.684
116 H ILE 21 H ILE 21 -6.173 -4.586 5.134
117 HA ILE 21 HA ILE 21 -5.478 -2.134 3.839
118 HB ILE 21 HB ILE 21 -7.745 -2.698 5.754
119 HG12 ILE 21 1HG1 ILE 21 -9.046 -2.728 3.531
120 HG13 ILE 21 2HG1 ILE 21 -7.477 -2.946 2.764
121 HG21 ILE 21 1HG2 ILE 21 -8.764 -0.701 4.949
122 HG22 ILE 21 2HG2 ILE 21 -7.119 -0.294 5.433
123 HG23 ILE 21 3HG2 ILE 21 -7.514 -0.486 3.725
124 HD11 ILE 21 3HD1 ILE 21 -8.989 -4.990 3.407
125 HD12 ILE 21 1HD1 ILE 21 -7.234 -5.067 3.554
126 HD13 ILE 21 2HD1 ILE 21 -8.227 -4.770 4.982
127 H PHE 22 H PHE 22 -4.777 -0.235 4.692
128 HA PHE 22 HA PHE 22 -4.296 -0.136 7.592
129 HB2 PHE 22 1HB PHE 22 -2.370 0.657 5.400
130 HB3 PHE 22 2HB PHE 22 -2.140 1.036 7.104
131 HD1 PHE 22 HD1 PHE 22 -1.708 -0.759 8.725
132 HD2 PHE 22 HD2 PHE 22 -1.952 -1.523 4.545
133 HE1 PHE 22 HE1 PHE 22 -0.608 -2.934 9.062
134 HE2 PHE 22 HE2 PHE 22 -0.854 -3.700 4.876
135 HZ PHE 22 HZ PHE 22 -0.181 -4.409 7.136
136 H ARG 23 H ARG 23 -4.669 1.796 8.577
137 HA ARG 23 HA ARG 23 -6.446 3.606 7.513
138 HB2 ARG 23 1HB ARG 23 -5.569 3.274 9.955
139 HB3 ARG 23 2HB ARG 23 -4.416 4.527 9.515
140 HG2 ARG 23 1HG ARG 23 -6.102 5.758 10.465
141 HG3 ARG 23 2HG ARG 23 -6.536 5.831 8.756
142 HD2 ARG 23 1HD ARG 23 -7.924 3.695 9.308
143 HD3 ARG 23 2HD ARG 23 -7.792 4.267 10.971
144 HE ARG 23 HE ARG 23 -9.262 5.958 10.476
145 HH11 ARG 23 1HH1 ARG 23 -8.141 4.495 7.522
146 HH12 ARG 23 2HH1 ARG 23 -9.275 5.340 6.520
147 HH21 ARG 23 1HH2 ARG 23 -10.760 7.075 9.168
148 HH22 ARG 23 2HH2 ARG 23 -10.763 6.807 7.458
149 H HIS 24 H HIS 24 -3.050 4.465 8.174
150 HA HIS 24 HA HIS 24 -3.145 6.240 5.825
151 HB2 HIS 24 1HB HIS 24 -1.133 7.336 7.053
152 HB3 HIS 24 2HB HIS 24 -2.763 7.651 7.640
153 HD2 HIS 24 HD2 HIS 24 -3.430 6.204 10.045
154 HE1 HIS 24 HE1 HIS 24 0.631 5.469 11.032
155 HE2 HIS 24 HE2 HIS 24 -1.757 5.358 11.827
156 H SER 25 H SER 25 -1.519 6.179 4.319
157 HA SER 25 HA SER 25 -0.351 3.927 3.506
158 HB2 SER 25 1HB SER 25 1.487 5.297 2.494
159 HB3 SER 25 2HB SER 25 -0.125 5.953 2.210
160 HG SER 25 HG SER 25 1.869 7.249 3.190
161 H SER 26 H SER 26 1.293 6.191 5.716
162 HA SER 26 HA SER 26 3.654 5.058 6.204
163 HB2 SER 26 1HB SER 26 1.857 5.772 8.524
164 HB3 SER 26 2HB SER 26 3.611 5.919 8.428
165 HG SER 26 HG SER 26 3.150 7.449 6.647
166 H LEU 27 H LEU 27 0.814 4.042 8.114
167 HA LEU 27 HA LEU 27 1.830 1.904 9.434
168 HB2 LEU 27 1HB LEU 27 -0.851 2.475 8.284
169 HB3 LEU 27 2HB LEU 27 -0.547 0.859 8.916
170 HG LEU 27 HG LEU 27 -0.172 3.376 10.531
171 HD11 LEU 27 1HD1 LEU 27 -2.433 3.478 10.275
172 HD12 LEU 27 2HD1 LEU 27 -2.346 2.338 11.618
173 HD13 LEU 27 3HD1 LEU 27 -2.592 1.747 9.974
174 HD21 LEU 27 3HD2 LEU 27 -0.027 1.939 12.403
175 HD22 LEU 27 1HD2 LEU 27 1.037 1.252 11.176
176 HD23 LEU 27 2HD2 LEU 27 -0.550 0.540 11.465
177 H LEU 28 H LEU 28 0.497 1.811 6.136
178 HA LEU 28 HA LEU 28 1.014 -0.928 5.695
179 HB2 LEU 28 1HB LEU 28 -0.547 0.048 4.265
180 HB3 LEU 28 2HB LEU 28 0.504 1.416 3.903
181 HG LEU 28 HG LEU 28 1.969 -0.158 2.621
182 HD11 LEU 28 1HD1 LEU 28 1.427 -2.345 2.244
183 HD12 LEU 28 2HD1 LEU 28 -0.294 -2.085 2.525
184 HD13 LEU 28 3HD1 LEU 28 0.820 -2.158 3.890
185 HD21 LEU 28 3HD2 LEU 28 -0.810 -0.228 1.509
186 HD22 LEU 28 1HD2 LEU 28 0.721 0.043 0.675
187 HD23 LEU 28 2HD2 LEU 28 0.044 1.303 1.708
188 H ILE 29 H ILE 29 2.920 1.982 5.153
189 HA ILE 29 HA ILE 29 4.966 0.922 3.591
190 HB ILE 29 HB ILE 29 5.186 3.064 5.709
191 HG12 ILE 29 1HG1 ILE 29 4.747 3.315 2.726
192 HG13 ILE 29 2HG1 ILE 29 3.486 3.493 3.941
193 HG21 ILE 29 1HG2 ILE 29 7.070 3.778 4.034
194 HG22 ILE 29 2HG2 ILE 29 7.387 2.571 5.279
195 HG23 ILE 29 3HG2 ILE 29 7.063 2.064 3.622
196 HD11 ILE 29 3HD1 ILE 29 5.227 5.457 2.921
197 HD12 ILE 29 1HD1 ILE 29 3.993 5.628 4.169
198 HD13 ILE 29 2HD1 ILE 29 5.647 5.212 4.616
199 H GLU 30 H GLU 30 4.545 0.916 7.099
200 HA GLU 30 HA GLU 30 7.091 -0.271 7.637
201 HB2 GLU 30 1HB GLU 30 4.611 -0.001 9.343
202 HB3 GLU 30 2HB GLU 30 6.151 -0.617 9.927
203 HG2 GLU 30 1HG GLU 30 6.092 2.048 8.613
204 HG3 GLU 30 2HG GLU 30 5.466 1.894 10.253
205 H HIS 31 H HIS 31 3.831 -1.466 7.125
206 HA HIS 31 HA HIS 31 4.308 -4.129 7.978
207 HB2 HIS 31 1HB HIS 31 2.049 -3.638 7.898
208 HB3 HIS 31 2HB HIS 31 2.186 -2.758 6.379
209 HD1 HIS 31 HD1 HIS 31 1.526 -6.115 7.780
210 HD2 HIS 31 HD2 HIS 31 2.226 -4.413 4.055
211 HE1 HIS 31 HE1 HIS 31 0.847 -7.863 6.104
212 H GLN 32 H GLN 32 4.255 -2.618 4.758
213 HA GLN 32 HA GLN 32 4.713 -4.803 3.168
214 HB2 GLN 32 1HB GLN 32 5.818 -2.005 2.903
215 HB3 GLN 32 2HB GLN 32 5.931 -3.220 1.637
216 HG2 GLN 32 1HG GLN 32 3.541 -3.315 1.437
217 HG3 GLN 32 2HG GLN 32 3.346 -2.237 2.818
218 HE21 GLN 32 1HE2 GLN 32 2.956 -2.271 -0.321
219 HE22 GLN 32 2HE2 GLN 32 3.413 -0.660 -0.747
220 H ALA 33 H ALA 33 7.127 -2.880 4.915
221 HA ALA 33 HA ALA 33 9.476 -3.915 4.027
222 HB1 ALA 33 3HB ALA 33 8.742 -2.363 6.152
223 HB2 ALA 33 1HB ALA 33 9.401 -3.793 6.946
224 HB3 ALA 33 2HB ALA 33 10.387 -2.890 5.796
225 H LEU 34 H LEU 34 7.296 -5.418 6.383
226 HA LEU 34 HA LEU 34 8.819 -7.578 7.166
227 HB2 LEU 34 1HB LEU 34 6.878 -8.534 7.953
228 HB3 LEU 34 2HB LEU 34 6.446 -6.828 7.869
229 HG LEU 34 HG LEU 34 5.464 -7.458 5.545
230 HD11 LEU 34 1HD1 LEU 34 4.633 -10.031 6.422
231 HD12 LEU 34 2HD1 LEU 34 6.396 -9.982 6.419
232 HD13 LEU 34 3HD1 LEU 34 5.500 -9.590 4.951
233 HD21 LEU 34 3HD2 LEU 34 3.460 -7.304 6.541
234 HD22 LEU 34 1HD2 LEU 34 4.398 -7.072 8.017
235 HD23 LEU 34 2HD2 LEU 34 3.775 -8.672 7.612
236 H HIS 35 H HIS 35 6.846 -7.218 4.254
237 HA HIS 35 HA HIS 35 7.106 -9.850 3.304
238 HB2 HIS 35 1HB HIS 35 6.585 -7.229 1.910
239 HB3 HIS 35 2HB HIS 35 6.640 -8.758 1.039
240 HD1 HIS 35 HD1 HIS 35 5.026 -10.610 2.717
241 HD2 HIS 35 HD2 HIS 35 3.970 -6.627 2.183
242 HE1 HIS 35 HE1 HIS 35 2.560 -10.498 3.196
243 H ALA 36 H ALA 36 8.938 -6.918 2.439
244 HA ALA 36 HA ALA 36 10.697 -7.878 0.609
245 HB1 ALA 36 3HB ALA 36 11.642 -6.124 2.858
246 HB2 ALA 36 1HB ALA 36 12.161 -6.129 1.172
247 HB3 ALA 36 2HB ALA 36 10.554 -5.539 1.599
248 H GLY 37 H GLY 37 11.359 -7.882 4.123
249 HA2 GLY 37 1HA GLY 37 12.352 -10.519 4.178
250 HA3 GLY 37 2HA GLY 37 13.702 -9.410 3.987
251 H GLU 38 H GLU 38 12.712 -11.216 6.229
252 HA GLU 38 HA GLU 38 12.662 -9.159 8.339
253 HB2 GLU 38 1HB GLU 38 10.596 -10.552 8.173
254 HB3 GLU 38 2HB GLU 38 11.574 -11.973 8.515
255 HG2 GLU 38 1HG GLU 38 12.255 -10.818 10.661
256 HG3 GLU 38 2HG GLU 38 10.971 -9.658 10.325
257 H SER 39 H SER 39 13.642 -12.536 7.748
258 HA SER 39 HA SER 39 15.871 -12.132 9.626
259 HB2 SER 39 1HB SER 39 14.264 -14.539 8.851
260 HB3 SER 39 2HB SER 39 15.917 -14.753 9.428
261 HG SER 39 HG SER 39 14.316 -14.821 11.107
262 H GLY 40 H GLY 40 15.016 -13.311 6.414
263 HA2 GLY 40 1HA GLY 40 17.835 -12.992 5.639
264 HA3 GLY 40 2HA GLY 40 17.003 -14.490 5.250
265 HA PRO 41 HA PRO 41 15.086 -10.870 2.618
266 HB2 PRO 41 1HB PRO 41 16.760 -8.766 2.245
267 HB3 PRO 41 2HB PRO 41 15.585 -8.836 3.563
268 HG2 PRO 41 1HG PRO 41 18.518 -9.429 3.609
269 HG3 PRO 41 2HG PRO 41 17.541 -8.526 4.781
270 HD2 PRO 41 1HD PRO 41 18.280 -11.101 5.176
271 HD3 PRO 41 2HD PRO 41 16.748 -10.443 5.785
272 H SER 42 H SER 42 15.863 -9.843 0.433
273 HA SER 42 HA SER 42 17.714 -11.778 -0.774
274 HB2 SER 42 1HB SER 42 15.238 -11.360 -1.565
275 HB3 SER 42 2HB SER 42 15.952 -9.980 -2.398
276 HG SER 42 HG SER 42 17.116 -11.311 -3.647
277 H SER 43 H SER 43 19.707 -10.885 -0.537
278 HA SER 43 HA SER 43 20.099 -8.157 -1.576
279 HB2 SER 43 1HB SER 43 20.755 -8.417 0.774
280 HB3 SER 43 2HB SER 43 21.832 -9.743 0.336
281 HG SER 43 HG SER 43 22.082 -7.167 -0.802
282 H GLY 44 H GLY 44 19.853 -10.294 -3.369
283 HA2 GLY 44 1HA GLY 44 20.894 -11.042 -5.279
284 HA3 GLY 44 2HA GLY 44 22.234 -9.975 -4.886
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -15.642 -16.231 2.330
2 HA2 GLY 1 1HA GLY 1 -14.880 -14.170 0.617
3 HA3 GLY 1 2HA GLY 1 -13.872 -15.546 1.040
4 H SER 2 H SER 2 -16.911 -15.376 -0.795
5 HA SER 2 HA SER 2 -15.547 -16.781 -2.988
6 HB2 SER 2 1HB SER 2 -17.598 -17.804 -1.846
7 HB3 SER 2 2HB SER 2 -18.534 -16.535 -2.637
8 HG SER 2 HG SER 2 -16.943 -18.524 -3.888
9 H SER 3 H SER 3 -18.052 -14.300 -2.459
10 HA SER 3 HA SER 3 -17.947 -13.354 -5.147
11 HB2 SER 3 1HB SER 3 -19.088 -12.048 -2.664
12 HB3 SER 3 2HB SER 3 -19.376 -11.515 -4.320
13 HG SER 3 HG SER 3 -21.037 -12.820 -4.075
14 H GLY 4 H GLY 4 -16.646 -12.162 -2.064
15 HA2 GLY 4 1HA GLY 4 -14.243 -11.238 -2.844
16 HA3 GLY 4 2HA GLY 4 -15.311 -9.947 -3.375
17 H SER 5 H SER 5 -13.194 -9.869 -1.372
18 HA SER 5 HA SER 5 -14.425 -9.776 1.212
19 HB2 SER 5 1HB SER 5 -12.309 -9.062 2.027
20 HB3 SER 5 2HB SER 5 -11.957 -10.203 0.729
21 HG SER 5 HG SER 5 -11.981 -7.373 0.482
22 H SER 6 H SER 6 -15.300 -8.088 2.275
23 HA SER 6 HA SER 6 -15.593 -5.584 0.773
24 HB2 SER 6 1HB SER 6 -17.534 -5.146 2.190
25 HB3 SER 6 2HB SER 6 -17.671 -6.744 1.457
26 HG SER 6 HG SER 6 -16.687 -7.500 3.510
27 H GLY 7 H GLY 7 -13.559 -4.702 1.327
28 HA2 GLY 7 1HA GLY 7 -13.181 -4.075 4.181
29 HA3 GLY 7 2HA GLY 7 -11.913 -4.065 2.965
30 H ALA 8 H ALA 8 -12.909 -2.537 0.979
31 HA ALA 8 HA ALA 8 -14.193 -0.160 1.819
32 HB1 ALA 8 3HB ALA 8 -12.288 1.380 1.733
33 HB2 ALA 8 1HB ALA 8 -12.127 0.213 3.045
34 HB3 ALA 8 2HB ALA 8 -11.192 0.009 1.563
35 H ALA 9 H ALA 9 -13.530 1.695 0.120
36 HA ALA 9 HA ALA 9 -14.146 0.548 -2.452
37 HB1 ALA 9 3HB ALA 9 -14.802 2.899 -1.246
38 HB2 ALA 9 1HB ALA 9 -13.538 3.412 -2.363
39 HB3 ALA 9 2HB ALA 9 -14.964 2.570 -2.971
40 H LYS 10 H LYS 10 -11.639 -0.301 -1.608
41 HA LYS 10 HA LYS 10 -9.401 -0.321 -2.119
42 HB2 LYS 10 1HB LYS 10 -10.936 -0.073 -4.654
43 HB3 LYS 10 2HB LYS 10 -9.189 0.108 -4.753
44 HG2 LYS 10 1HG LYS 10 -9.647 -2.162 -5.179
45 HG3 LYS 10 2HG LYS 10 -9.008 -2.090 -3.535
46 HD2 LYS 10 1HD LYS 10 -11.951 -1.899 -3.878
47 HD3 LYS 10 2HD LYS 10 -11.196 -3.471 -4.150
48 HE2 LYS 10 1HE LYS 10 -10.583 -1.873 -1.691
49 HE3 LYS 10 2HE LYS 10 -12.031 -2.875 -1.778
50 HZ1 LYS 10 3HZ LYS 10 -10.830 -4.777 -1.729
51 HZ2 LYS 10 1HZ LYS 10 -9.730 -3.795 -0.899
52 HZ3 LYS 10 2HZ LYS 10 -9.504 -4.116 -2.544
53 H THR 11 H THR 11 -10.003 2.102 -0.991
54 HA THR 11 HA THR 11 -8.401 3.984 -2.599
55 HB THR 11 HB THR 11 -9.570 5.802 -1.276
56 HG1 THR 11 HG1 THR 11 -11.797 4.872 -0.641
57 HG21 THR 11 3HG2 THR 11 -10.190 4.712 -3.654
58 HG22 THR 11 1HG2 THR 11 -11.077 6.065 -2.952
59 HG23 THR 11 2HG2 THR 11 -11.702 4.423 -2.793
60 H THR 12 H THR 12 -8.852 2.398 0.433
61 HA THR 12 HA THR 12 -7.111 4.097 1.953
62 HB THR 12 HB THR 12 -7.735 1.264 2.724
63 HG1 THR 12 HG1 THR 12 -9.762 1.926 2.284
64 HG21 THR 12 3HG2 THR 12 -7.044 3.816 4.104
65 HG22 THR 12 1HG2 THR 12 -6.418 2.189 4.369
66 HG23 THR 12 2HG2 THR 12 -8.023 2.625 4.959
67 H SER 13 H SER 13 -5.112 3.284 2.979
68 HA SER 13 HA SER 13 -3.311 2.302 0.996
69 HB2 SER 13 1HB SER 13 -2.712 2.581 3.941
70 HB3 SER 13 2HB SER 13 -1.586 2.688 2.588
71 HG SER 13 HG SER 13 -2.516 4.709 3.682
72 H GLU 14 H GLU 14 -4.759 0.284 0.798
73 HA GLU 14 HA GLU 14 -4.221 -1.754 2.797
74 HB2 GLU 14 1HB GLU 14 -6.426 -1.840 1.962
75 HB3 GLU 14 2HB GLU 14 -5.891 -1.669 0.296
76 HG2 GLU 14 1HG GLU 14 -4.869 -3.910 0.430
77 HG3 GLU 14 2HG GLU 14 -5.516 -4.077 2.061
78 H CYS 15 H CYS 15 -3.113 -3.688 2.397
79 HA CYS 15 HA CYS 15 -0.968 -3.427 0.458
80 HB2 CYS 15 1HB CYS 15 -0.627 -4.169 2.861
81 HB3 CYS 15 2HB CYS 15 -1.402 -5.685 2.414
82 H GLN 16 H GLN 16 -1.391 -4.051 -1.558
83 HA GLN 16 HA GLN 16 -3.400 -5.920 -2.261
84 HB2 GLN 16 1HB GLN 16 -2.374 -5.786 -4.539
85 HB3 GLN 16 2HB GLN 16 -2.792 -4.226 -3.842
86 HG2 GLN 16 1HG GLN 16 -0.575 -3.650 -3.480
87 HG3 GLN 16 2HG GLN 16 -0.025 -5.322 -3.571
88 HE21 GLN 16 1HE2 GLN 16 1.030 -5.805 -5.346
89 HE22 GLN 16 2HE2 GLN 16 0.821 -5.069 -6.895
90 H GLU 17 H GLU 17 -0.174 -6.282 -1.212
91 HA GLU 17 HA GLU 17 0.515 -8.684 -2.529
92 HB2 GLU 17 1HB GLU 17 1.446 -7.638 0.151
93 HB3 GLU 17 2HB GLU 17 2.214 -8.929 -0.762
94 HG2 GLU 17 1HG GLU 17 2.503 -7.234 -2.628
95 HG3 GLU 17 2HG GLU 17 2.059 -6.012 -1.439
96 H CYS 18 H CYS 18 -0.816 -8.091 0.720
97 HA CYS 18 HA CYS 18 -1.646 -10.918 0.798
98 HB2 CYS 18 1HB CYS 18 -1.674 -10.648 3.279
99 HB3 CYS 18 2HB CYS 18 -0.076 -10.445 2.568
100 H GLY 19 H GLY 19 -2.624 -7.594 1.496
101 HA2 GLY 19 1HA GLY 19 -4.889 -6.951 0.841
102 HA3 GLY 19 2HA GLY 19 -5.429 -8.516 1.432
103 H LYS 20 H LYS 20 -3.122 -6.467 3.105
104 HA LYS 20 HA LYS 20 -4.973 -6.328 5.365
105 HB2 LYS 20 1HB LYS 20 -2.420 -7.040 5.398
106 HB3 LYS 20 2HB LYS 20 -2.173 -5.302 5.516
107 HG2 LYS 20 1HG LYS 20 -3.128 -5.167 7.598
108 HG3 LYS 20 2HG LYS 20 -4.102 -6.621 7.364
109 HD2 LYS 20 1HD LYS 20 -2.371 -8.031 7.903
110 HD3 LYS 20 2HD LYS 20 -1.133 -6.877 7.403
111 HE2 LYS 20 1HE LYS 20 -0.956 -6.892 9.724
112 HE3 LYS 20 2HE LYS 20 -1.942 -5.468 9.397
113 HZ1 LYS 20 3HZ LYS 20 -3.158 -6.448 11.035
114 HZ2 LYS 20 1HZ LYS 20 -2.709 -8.022 10.606
115 HZ3 LYS 20 2HZ LYS 20 -3.869 -7.196 9.695
116 H ILE 21 H ILE 21 -6.108 -4.551 5.743
117 HA ILE 21 HA ILE 21 -5.533 -2.117 4.284
118 HB ILE 21 HB ILE 21 -7.748 -2.756 6.235
119 HG12 ILE 21 1HG1 ILE 21 -9.028 -2.532 3.934
120 HG13 ILE 21 2HG1 ILE 21 -7.455 -2.952 3.266
121 HG21 ILE 21 1HG2 ILE 21 -7.495 -0.420 6.289
122 HG22 ILE 21 2HG2 ILE 21 -7.191 -0.330 4.555
123 HG23 ILE 21 3HG2 ILE 21 -8.807 -0.715 5.148
124 HD11 ILE 21 3HD1 ILE 21 -7.891 -5.083 3.632
125 HD12 ILE 21 1HD1 ILE 21 -7.992 -4.763 5.364
126 HD13 ILE 21 2HD1 ILE 21 -9.439 -4.656 4.361
127 H PHE 22 H PHE 22 -4.800 -0.223 5.110
128 HA PHE 22 HA PHE 22 -4.250 -0.111 7.998
129 HB2 PHE 22 1HB PHE 22 -2.374 0.720 5.775
130 HB3 PHE 22 2HB PHE 22 -2.097 1.014 7.489
131 HD1 PHE 22 HD1 PHE 22 -1.697 -0.888 9.017
132 HD2 PHE 22 HD2 PHE 22 -1.947 -1.394 4.799
133 HE1 PHE 22 HE1 PHE 22 -0.612 -3.087 9.220
134 HE2 PHE 22 HE2 PHE 22 -0.863 -3.594 4.995
135 HZ PHE 22 HZ PHE 22 -0.195 -4.444 7.208
136 H ARG 23 H ARG 23 -4.773 1.755 8.981
137 HA ARG 23 HA ARG 23 -6.505 3.583 7.926
138 HB2 ARG 23 1HB ARG 23 -5.736 3.270 10.360
139 HB3 ARG 23 2HB ARG 23 -4.450 4.402 9.966
140 HG2 ARG 23 1HG ARG 23 -6.046 5.785 10.872
141 HG3 ARG 23 2HG ARG 23 -6.389 5.920 9.147
142 HD2 ARG 23 1HD ARG 23 -8.021 3.946 9.586
143 HD3 ARG 23 2HD ARG 23 -7.896 4.449 11.271
144 HE ARG 23 HE ARG 23 -8.490 6.758 10.060
145 HH11 ARG 23 1HH1 ARG 23 -9.891 3.582 9.787
146 HH12 ARG 23 2HH1 ARG 23 -11.477 4.172 9.413
147 HH21 ARG 23 1HH2 ARG 23 -10.574 7.546 9.570
148 HH22 ARG 23 2HH2 ARG 23 -11.864 6.426 9.289
149 H HIS 24 H HIS 24 -3.112 4.455 8.590
150 HA HIS 24 HA HIS 24 -3.232 6.286 6.289
151 HB2 HIS 24 1HB HIS 24 -1.151 7.286 7.479
152 HB3 HIS 24 2HB HIS 24 -2.748 7.611 8.147
153 HD2 HIS 24 HD2 HIS 24 -3.357 5.996 10.485
154 HE1 HIS 24 HE1 HIS 24 0.739 5.276 11.322
155 HE2 HIS 24 HE2 HIS 24 -1.623 5.083 12.174
156 H SER 25 H SER 25 -1.687 6.226 4.708
157 HA SER 25 HA SER 25 -0.597 3.971 3.790
158 HB2 SER 25 1HB SER 25 1.195 5.333 2.701
159 HB3 SER 25 2HB SER 25 -0.416 6.032 2.532
160 HG SER 25 HG SER 25 1.744 7.155 3.565
161 H SER 26 H SER 26 1.158 6.160 5.987
162 HA SER 26 HA SER 26 3.537 5.013 6.330
163 HB2 SER 26 1HB SER 26 1.868 5.622 8.768
164 HB3 SER 26 2HB SER 26 3.608 5.822 8.560
165 HG SER 26 HG SER 26 3.279 7.692 7.646
166 H LEU 27 H LEU 27 0.834 3.950 8.402
167 HA LEU 27 HA LEU 27 1.893 1.765 9.573
168 HB2 LEU 27 1HB LEU 27 -0.844 2.345 8.555
169 HB3 LEU 27 2HB LEU 27 -0.496 0.728 9.163
170 HG LEU 27 HG LEU 27 -0.023 3.215 10.792
171 HD11 LEU 27 1HD1 LEU 27 -2.282 3.417 10.620
172 HD12 LEU 27 2HD1 LEU 27 -2.207 2.230 11.922
173 HD13 LEU 27 3HD1 LEU 27 -2.523 1.705 10.268
174 HD21 LEU 27 3HD2 LEU 27 1.137 1.082 11.401
175 HD22 LEU 27 1HD2 LEU 27 -0.453 0.358 11.646
176 HD23 LEU 27 2HD2 LEU 27 0.060 1.717 12.646
177 H LEU 28 H LEU 28 0.507 1.837 6.306
178 HA LEU 28 HA LEU 28 0.975 -0.910 5.763
179 HB2 LEU 28 1HB LEU 28 -0.658 0.095 4.440
180 HB3 LEU 28 2HB LEU 28 0.358 1.490 4.083
181 HG LEU 28 HG LEU 28 1.772 0.016 2.658
182 HD11 LEU 28 1HD1 LEU 28 -0.452 -1.990 2.911
183 HD12 LEU 28 2HD1 LEU 28 1.045 -2.094 3.838
184 HD13 LEU 28 3HD1 LEU 28 1.092 -2.168 2.077
185 HD21 LEU 28 3HD2 LEU 28 -1.098 -0.077 1.774
186 HD22 LEU 28 1HD2 LEU 28 0.352 0.131 0.791
187 HD23 LEU 28 2HD2 LEU 28 -0.186 1.431 1.855
188 H ILE 29 H ILE 29 2.862 2.014 5.334
189 HA ILE 29 HA ILE 29 4.832 1.044 3.604
190 HB ILE 29 HB ILE 29 5.077 3.109 5.793
191 HG12 ILE 29 1HG1 ILE 29 4.538 3.323 2.825
192 HG13 ILE 29 2HG1 ILE 29 3.431 3.732 4.131
193 HG21 ILE 29 1HG2 ILE 29 7.050 3.898 4.493
194 HG22 ILE 29 2HG2 ILE 29 7.274 2.324 5.256
195 HG23 ILE 29 3HG2 ILE 29 6.942 2.426 3.528
196 HD11 ILE 29 3HD1 ILE 29 5.960 5.157 3.359
197 HD12 ILE 29 1HD1 ILE 29 4.304 5.754 3.249
198 HD13 ILE 29 2HD1 ILE 29 5.047 5.501 4.828
199 H GLU 30 H GLU 30 4.627 0.949 7.140
200 HA GLU 30 HA GLU 30 7.175 -0.274 7.500
201 HB2 GLU 30 1HB GLU 30 4.776 0.094 9.280
202 HB3 GLU 30 2HB GLU 30 6.182 -0.818 9.810
203 HG2 GLU 30 1HG GLU 30 6.168 2.064 8.943
204 HG3 GLU 30 2HG GLU 30 6.267 1.475 10.601
205 H HIS 31 H HIS 31 3.897 -1.465 7.098
206 HA HIS 31 HA HIS 31 4.433 -4.160 7.809
207 HB2 HIS 31 1HB HIS 31 2.171 -3.667 7.883
208 HB3 HIS 31 2HB HIS 31 2.216 -2.742 6.385
209 HD1 HIS 31 HD1 HIS 31 1.780 -6.191 7.709
210 HD2 HIS 31 HD2 HIS 31 1.999 -4.279 4.026
211 HE1 HIS 31 HE1 HIS 31 0.980 -7.879 6.026
212 H GLN 32 H GLN 32 4.225 -2.490 4.679
213 HA GLN 32 HA GLN 32 4.601 -4.619 2.974
214 HB2 GLN 32 1HB GLN 32 5.532 -1.759 2.781
215 HB3 GLN 32 2HB GLN 32 5.762 -2.910 1.471
216 HG2 GLN 32 1HG GLN 32 3.356 -3.245 1.325
217 HG3 GLN 32 2HG GLN 32 3.112 -2.117 2.657
218 HE21 GLN 32 1HE2 GLN 32 1.963 -1.848 0.111
219 HE22 GLN 32 2HE2 GLN 32 2.598 -0.419 -0.621
220 H ALA 33 H ALA 33 7.075 -2.698 4.638
221 HA ALA 33 HA ALA 33 9.389 -3.627 3.571
222 HB1 ALA 33 3HB ALA 33 9.632 -3.679 6.443
223 HB2 ALA 33 1HB ALA 33 10.303 -2.537 5.277
224 HB3 ALA 33 2HB ALA 33 8.676 -2.295 5.913
225 H LEU 34 H LEU 34 7.323 -5.331 5.875
226 HA LEU 34 HA LEU 34 8.982 -7.483 6.468
227 HB2 LEU 34 1HB LEU 34 7.156 -8.463 7.423
228 HB3 LEU 34 2HB LEU 34 6.617 -6.787 7.349
229 HG LEU 34 HG LEU 34 5.587 -7.604 5.047
230 HD11 LEU 34 1HD1 LEU 34 5.766 -10.115 6.703
231 HD12 LEU 34 2HD1 LEU 34 6.453 -9.843 5.102
232 HD13 LEU 34 3HD1 LEU 34 4.703 -9.903 5.311
233 HD21 LEU 34 3HD2 LEU 34 4.125 -8.467 7.500
234 HD22 LEU 34 1HD2 LEU 34 3.539 -7.583 6.090
235 HD23 LEU 34 2HD2 LEU 34 4.538 -6.764 7.291
236 H HIS 35 H HIS 35 6.808 -6.974 3.735
237 HA HIS 35 HA HIS 35 7.025 -9.563 2.632
238 HB2 HIS 35 1HB HIS 35 6.319 -6.891 1.421
239 HB3 HIS 35 2HB HIS 35 6.304 -8.386 0.490
240 HD1 HIS 35 HD1 HIS 35 4.881 -10.330 2.215
241 HD2 HIS 35 HD2 HIS 35 3.749 -6.337 2.016
242 HE1 HIS 35 HE1 HIS 35 2.478 -10.274 2.954
243 H ALA 36 H ALA 36 8.731 -6.536 1.859
244 HA ALA 36 HA ALA 36 10.305 -7.166 -0.212
245 HB1 ALA 36 3HB ALA 36 12.194 -5.944 1.184
246 HB2 ALA 36 1HB ALA 36 10.784 -5.081 0.568
247 HB3 ALA 36 2HB ALA 36 10.835 -5.600 2.254
248 H GLY 37 H GLY 37 10.794 -8.327 3.095
249 HA2 GLY 37 1HA GLY 37 13.271 -9.570 2.756
250 HA3 GLY 37 2HA GLY 37 12.051 -10.060 3.921
251 H GLU 38 H GLU 38 12.807 -12.238 3.532
252 HA GLU 38 HA GLU 38 12.373 -13.407 0.931
253 HB2 GLU 38 1HB GLU 38 14.127 -14.061 2.761
254 HB3 GLU 38 2HB GLU 38 12.806 -15.017 3.420
255 HG2 GLU 38 1HG GLU 38 13.496 -15.285 0.536
256 HG3 GLU 38 2HG GLU 38 14.511 -16.065 1.746
257 H SER 39 H SER 39 10.030 -12.273 1.723
258 HA SER 39 HA SER 39 8.359 -14.464 2.727
259 HB2 SER 39 1HB SER 39 8.070 -11.494 2.635
260 HB3 SER 39 2HB SER 39 6.604 -12.474 2.601
261 HG SER 39 HG SER 39 7.825 -11.778 4.720
262 H GLY 40 H GLY 40 7.997 -15.784 1.004
263 HA2 GLY 40 1HA GLY 40 6.425 -14.619 -1.188
264 HA3 GLY 40 2HA GLY 40 7.831 -15.598 -1.582
265 HA PRO 41 HA PRO 41 3.850 -18.126 -0.557
266 HB2 PRO 41 1HB PRO 41 2.589 -18.170 -2.960
267 HB3 PRO 41 2HB PRO 41 2.240 -16.965 -1.715
268 HG2 PRO 41 1HG PRO 41 3.972 -16.730 -4.145
269 HG3 PRO 41 2HG PRO 41 2.809 -15.566 -3.483
270 HD2 PRO 41 1HD PRO 41 5.478 -15.343 -3.087
271 HD3 PRO 41 2HD PRO 41 4.287 -14.807 -1.885
272 H SER 42 H SER 42 3.203 -20.196 -1.733
273 HA SER 42 HA SER 42 5.595 -21.575 -2.488
274 HB2 SER 42 1HB SER 42 3.895 -22.711 -1.157
275 HB3 SER 42 2HB SER 42 2.710 -22.495 -2.445
276 HG SER 42 HG SER 42 4.027 -23.820 -3.767
277 H SER 43 H SER 43 6.220 -20.471 -4.401
278 HA SER 43 HA SER 43 4.476 -20.742 -6.728
279 HB2 SER 43 1HB SER 43 7.022 -19.219 -6.205
280 HB3 SER 43 2HB SER 43 6.397 -19.434 -7.840
281 HG SER 43 HG SER 43 5.577 -17.527 -7.036
282 H GLY 44 H GLY 44 5.212 -21.702 -8.694
283 HA2 GLY 44 1HA GLY 44 6.933 -24.011 -8.199
284 HA3 GLY 44 2HA GLY 44 5.871 -23.784 -9.581
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -15.145 -21.497 7.771
2 HA2 GLY 1 1HA GLY 1 -13.488 -22.556 6.201
3 HA3 GLY 1 2HA GLY 1 -14.804 -23.633 5.758
4 H SER 2 H SER 2 -13.682 -20.297 5.661
5 HA SER 2 HA SER 2 -14.687 -19.885 3.048
6 HB2 SER 2 1HB SER 2 -16.785 -19.753 4.561
7 HB3 SER 2 2HB SER 2 -16.127 -18.204 5.088
8 HG SER 2 HG SER 2 -16.633 -18.918 2.387
9 H SER 3 H SER 3 -13.566 -18.288 2.103
10 HA SER 3 HA SER 3 -11.378 -17.098 3.286
11 HB2 SER 3 1HB SER 3 -11.184 -15.744 1.330
12 HB3 SER 3 2HB SER 3 -11.898 -17.270 0.807
13 HG SER 3 HG SER 3 -12.880 -15.152 0.098
14 H GLY 4 H GLY 4 -10.927 -15.061 4.131
15 HA2 GLY 4 1HA GLY 4 -13.307 -13.554 5.027
16 HA3 GLY 4 2HA GLY 4 -11.851 -13.738 5.993
17 H SER 5 H SER 5 -13.310 -12.117 3.269
18 HA SER 5 HA SER 5 -10.934 -10.532 2.751
19 HB2 SER 5 1HB SER 5 -12.227 -9.528 0.949
20 HB3 SER 5 2HB SER 5 -12.399 -11.282 0.888
21 HG SER 5 HG SER 5 -14.450 -11.120 1.467
22 H SER 6 H SER 6 -10.991 -8.184 2.777
23 HA SER 6 HA SER 6 -13.027 -6.879 4.361
24 HB2 SER 6 1HB SER 6 -11.665 -7.743 6.157
25 HB3 SER 6 2HB SER 6 -10.192 -7.160 5.381
26 HG SER 6 HG SER 6 -10.787 -5.080 5.819
27 H GLY 7 H GLY 7 -12.823 -4.563 4.369
28 HA2 GLY 7 1HA GLY 7 -11.843 -2.529 3.658
29 HA3 GLY 7 2HA GLY 7 -10.779 -3.440 2.598
30 H ALA 8 H ALA 8 -14.168 -2.495 3.042
31 HA ALA 8 HA ALA 8 -15.178 -3.255 0.580
32 HB1 ALA 8 3HB ALA 8 -16.830 -1.395 0.910
33 HB2 ALA 8 1HB ALA 8 -16.671 -2.506 2.271
34 HB3 ALA 8 2HB ALA 8 -15.904 -0.918 2.333
35 H ALA 9 H ALA 9 -15.822 -1.808 -1.238
36 HA ALA 9 HA ALA 9 -13.677 -0.819 -2.625
37 HB1 ALA 9 3HB ALA 9 -15.599 -1.196 -3.879
38 HB2 ALA 9 1HB ALA 9 -16.606 -0.218 -2.812
39 HB3 ALA 9 2HB ALA 9 -15.446 0.561 -3.889
40 H LYS 10 H LYS 10 -12.280 0.604 -1.752
41 HA LYS 10 HA LYS 10 -13.014 3.344 -1.570
42 HB2 LYS 10 1HB LYS 10 -13.892 2.517 0.606
43 HB3 LYS 10 2HB LYS 10 -12.267 1.997 1.031
44 HG2 LYS 10 1HG LYS 10 -12.446 4.030 2.104
45 HG3 LYS 10 2HG LYS 10 -11.621 4.463 0.605
46 HD2 LYS 10 1HD LYS 10 -13.630 5.308 -0.351
47 HD3 LYS 10 2HD LYS 10 -14.608 4.636 0.956
48 HE2 LYS 10 1HE LYS 10 -13.963 6.260 2.454
49 HE3 LYS 10 2HE LYS 10 -12.448 6.584 1.613
50 HZ1 LYS 10 3HZ LYS 10 -14.945 7.202 0.220
51 HZ2 LYS 10 1HZ LYS 10 -13.448 7.987 0.153
52 HZ3 LYS 10 2HZ LYS 10 -14.471 8.230 1.477
53 H THR 11 H THR 11 -11.211 4.728 -1.372
54 HA THR 11 HA THR 11 -8.747 3.545 -2.259
55 HB THR 11 HB THR 11 -7.900 5.844 -2.383
56 HG1 THR 11 HG1 THR 11 -9.495 7.533 -1.848
57 HG21 THR 11 3HG2 THR 11 -9.853 4.741 -3.941
58 HG22 THR 11 1HG2 THR 11 -9.010 6.248 -4.299
59 HG23 THR 11 2HG2 THR 11 -10.579 6.285 -3.494
60 H THR 12 H THR 12 -8.027 2.294 -0.516
61 HA THR 12 HA THR 12 -6.986 3.860 1.753
62 HB THR 12 HB THR 12 -7.678 0.967 2.093
63 HG1 THR 12 HG1 THR 12 -9.461 3.117 1.870
64 HG21 THR 12 3HG2 THR 12 -6.698 1.595 4.036
65 HG22 THR 12 1HG2 THR 12 -8.307 2.217 4.399
66 HG23 THR 12 2HG2 THR 12 -7.058 3.303 3.789
67 H SER 13 H SER 13 -5.060 2.971 2.765
68 HA SER 13 HA SER 13 -3.182 2.053 0.797
69 HB2 SER 13 1HB SER 13 -2.634 2.282 3.752
70 HB3 SER 13 2HB SER 13 -1.506 2.473 2.410
71 HG SER 13 HG SER 13 -2.814 4.354 1.826
72 H GLU 14 H GLU 14 -4.669 0.043 0.579
73 HA GLU 14 HA GLU 14 -4.177 -2.004 2.575
74 HB2 GLU 14 1HB GLU 14 -6.348 -2.131 1.708
75 HB3 GLU 14 2HB GLU 14 -5.806 -1.864 0.057
76 HG2 GLU 14 1HG GLU 14 -4.744 -4.093 0.085
77 HG3 GLU 14 2HG GLU 14 -5.410 -4.356 1.695
78 H CYS 15 H CYS 15 -2.930 -3.823 2.306
79 HA CYS 15 HA CYS 15 -0.786 -3.600 0.384
80 HB2 CYS 15 1HB CYS 15 -0.567 -4.345 2.831
81 HB3 CYS 15 2HB CYS 15 -1.218 -5.890 2.294
82 H GLN 16 H GLN 16 -1.119 -4.260 -1.634
83 HA GLN 16 HA GLN 16 -3.096 -6.163 -2.369
84 HB2 GLN 16 1HB GLN 16 -2.173 -5.957 -4.626
85 HB3 GLN 16 2HB GLN 16 -2.395 -4.377 -3.886
86 HG2 GLN 16 1HG GLN 16 -0.331 -4.094 -4.786
87 HG3 GLN 16 2HG GLN 16 0.121 -4.716 -3.200
88 HE21 GLN 16 1HE2 GLN 16 -0.350 -5.575 -6.571
89 HE22 GLN 16 2HE2 GLN 16 0.699 -6.948 -6.563
90 H GLU 17 H GLU 17 0.129 -6.439 -1.279
91 HA GLU 17 HA GLU 17 0.883 -8.836 -2.573
92 HB2 GLU 17 1HB GLU 17 1.785 -7.487 -0.040
93 HB3 GLU 17 2HB GLU 17 2.449 -9.036 -0.541
94 HG2 GLU 17 1HG GLU 17 3.391 -8.117 -2.494
95 HG3 GLU 17 2HG GLU 17 2.467 -6.625 -2.326
96 H CYS 18 H CYS 18 -0.621 -8.204 0.580
97 HA CYS 18 HA CYS 18 -1.340 -11.060 0.711
98 HB2 CYS 18 1HB CYS 18 -1.404 -10.755 3.194
99 HB3 CYS 18 2HB CYS 18 0.200 -10.567 2.492
100 H GLY 19 H GLY 19 -2.376 -7.750 1.406
101 HA2 GLY 19 1HA GLY 19 -4.639 -7.128 0.738
102 HA3 GLY 19 2HA GLY 19 -5.166 -8.711 1.288
103 H LYS 20 H LYS 20 -3.020 -6.404 2.907
104 HA LYS 20 HA LYS 20 -4.880 -6.414 5.183
105 HB2 LYS 20 1HB LYS 20 -2.357 -7.129 5.316
106 HB3 LYS 20 2HB LYS 20 -2.069 -5.395 5.359
107 HG2 LYS 20 1HG LYS 20 -3.029 -5.145 7.423
108 HG3 LYS 20 2HG LYS 20 -4.063 -6.563 7.235
109 HD2 LYS 20 1HD LYS 20 -2.302 -8.044 7.702
110 HD3 LYS 20 2HD LYS 20 -1.075 -6.802 7.440
111 HE2 LYS 20 1HE LYS 20 -1.134 -6.960 9.747
112 HE3 LYS 20 2HE LYS 20 -2.220 -5.607 9.435
113 HZ1 LYS 20 3HZ LYS 20 -3.979 -6.744 10.186
114 HZ2 LYS 20 1HZ LYS 20 -2.836 -7.732 10.949
115 HZ3 LYS 20 2HZ LYS 20 -3.500 -8.197 9.465
116 H ILE 21 H ILE 21 -6.095 -4.672 5.441
117 HA ILE 21 HA ILE 21 -5.527 -2.227 4.032
118 HB ILE 21 HB ILE 21 -7.713 -2.853 6.021
119 HG12 ILE 21 1HG1 ILE 21 -9.034 -2.745 3.745
120 HG13 ILE 21 2HG1 ILE 21 -7.464 -3.134 3.050
121 HG21 ILE 21 1HG2 ILE 21 -7.901 -0.660 4.019
122 HG22 ILE 21 2HG2 ILE 21 -8.664 -0.815 5.601
123 HG23 ILE 21 3HG2 ILE 21 -6.956 -0.390 5.484
124 HD11 ILE 21 3HD1 ILE 21 -7.706 -5.267 3.572
125 HD12 ILE 21 1HD1 ILE 21 -8.030 -4.872 5.260
126 HD13 ILE 21 2HD1 ILE 21 -9.351 -4.901 4.091
127 H PHE 22 H PHE 22 -4.771 -0.337 4.830
128 HA PHE 22 HA PHE 22 -4.213 -0.191 7.715
129 HB2 PHE 22 1HB PHE 22 -2.362 0.613 5.463
130 HB3 PHE 22 2HB PHE 22 -2.077 0.966 7.164
131 HD1 PHE 22 HD1 PHE 22 -1.708 -0.912 8.759
132 HD2 PHE 22 HD2 PHE 22 -1.851 -1.495 4.545
133 HE1 PHE 22 HE1 PHE 22 -0.595 -3.090 9.026
134 HE2 PHE 22 HE2 PHE 22 -0.739 -3.674 4.805
135 HZ PHE 22 HZ PHE 22 -0.111 -4.475 7.048
136 H ARG 23 H ARG 23 -4.808 1.652 8.682
137 HA ARG 23 HA ARG 23 -6.540 3.464 7.623
138 HB2 ARG 23 1HB ARG 23 -5.675 3.156 10.061
139 HB3 ARG 23 2HB ARG 23 -4.509 4.398 9.624
140 HG2 ARG 23 1HG ARG 23 -6.147 5.703 10.503
141 HG3 ARG 23 2HG ARG 23 -6.680 5.663 8.821
142 HD2 ARG 23 1HD ARG 23 -8.233 3.863 9.341
143 HD3 ARG 23 2HD ARG 23 -7.671 3.842 11.012
144 HE ARG 23 HE ARG 23 -8.629 6.414 10.233
145 HH11 ARG 23 1HH1 ARG 23 -9.627 3.246 11.279
146 HH12 ARG 23 2HH1 ARG 23 -11.119 3.799 11.964
147 HH21 ARG 23 1HH2 ARG 23 -10.591 7.154 11.132
148 HH22 ARG 23 2HH2 ARG 23 -11.667 6.022 11.879
149 H HIS 24 H HIS 24 -3.157 4.383 8.271
150 HA HIS 24 HA HIS 24 -3.300 6.181 5.946
151 HB2 HIS 24 1HB HIS 24 -1.235 7.226 7.144
152 HB3 HIS 24 2HB HIS 24 -2.849 7.559 7.764
153 HD2 HIS 24 HD2 HIS 24 -3.504 6.049 10.145
154 HE1 HIS 24 HE1 HIS 24 0.567 5.296 11.073
155 HE2 HIS 24 HE2 HIS 24 -1.811 5.167 11.891
156 H SER 25 H SER 25 -1.585 6.269 4.479
157 HA SER 25 HA SER 25 -0.488 3.983 3.553
158 HB2 SER 25 1HB SER 25 1.322 5.388 2.526
159 HB3 SER 25 2HB SER 25 -0.305 6.022 2.280
160 HG SER 25 HG SER 25 0.780 7.756 2.970
161 H SER 26 H SER 26 1.142 6.193 5.820
162 HA SER 26 HA SER 26 3.545 5.095 6.213
163 HB2 SER 26 1HB SER 26 1.806 5.666 8.610
164 HB3 SER 26 2HB SER 26 3.545 5.908 8.440
165 HG SER 26 HG SER 26 1.422 7.455 7.482
166 H LEU 27 H LEU 27 0.753 3.952 8.120
167 HA LEU 27 HA LEU 27 1.832 1.793 9.354
168 HB2 LEU 27 1HB LEU 27 -0.876 2.335 8.249
169 HB3 LEU 27 2HB LEU 27 -0.524 0.713 8.843
170 HG LEU 27 HG LEU 27 -0.240 3.223 10.491
171 HD11 LEU 27 1HD1 LEU 27 -2.534 1.356 10.073
172 HD12 LEU 27 2HD1 LEU 27 -2.524 3.115 10.192
173 HD13 LEU 27 3HD1 LEU 27 -2.299 2.133 11.639
174 HD21 LEU 27 3HD2 LEU 27 1.172 1.336 11.186
175 HD22 LEU 27 1HD2 LEU 27 -0.260 0.310 11.273
176 HD23 LEU 27 2HD2 LEU 27 -0.094 1.686 12.364
177 H LEU 28 H LEU 28 0.511 1.819 6.055
178 HA LEU 28 HA LEU 28 1.023 -0.897 5.499
179 HB2 LEU 28 1HB LEU 28 -0.504 0.151 4.086
180 HB3 LEU 28 2HB LEU 28 0.559 1.529 3.806
181 HG LEU 28 HG LEU 28 2.043 0.001 2.483
182 HD11 LEU 28 1HD1 LEU 28 -0.107 -1.903 3.230
183 HD12 LEU 28 2HD1 LEU 28 1.624 -2.169 3.025
184 HD13 LEU 28 3HD1 LEU 28 0.581 -2.024 1.610
185 HD21 LEU 28 3HD2 LEU 28 0.763 0.195 0.507
186 HD22 LEU 28 1HD2 LEU 28 0.273 1.541 1.536
187 HD23 LEU 28 2HD2 LEU 28 -0.759 0.118 1.394
188 H ILE 29 H ILE 29 2.974 2.007 5.182
189 HA ILE 29 HA ILE 29 5.048 0.930 3.616
190 HB ILE 29 HB ILE 29 5.199 3.136 5.674
191 HG12 ILE 29 1HG1 ILE 29 4.766 3.244 2.681
192 HG13 ILE 29 2HG1 ILE 29 3.544 3.565 3.906
193 HG21 ILE 29 1HG2 ILE 29 7.171 3.869 4.325
194 HG22 ILE 29 2HG2 ILE 29 7.407 2.360 5.206
195 HG23 ILE 29 3HG2 ILE 29 7.087 2.327 3.472
196 HD11 ILE 29 3HD1 ILE 29 5.988 5.186 3.268
197 HD12 ILE 29 1HD1 ILE 29 4.296 5.655 3.111
198 HD13 ILE 29 2HD1 ILE 29 5.007 5.440 4.711
199 H GLU 30 H GLU 30 4.479 0.946 7.092
200 HA GLU 30 HA GLU 30 7.036 -0.147 7.764
201 HB2 GLU 30 1HB GLU 30 4.512 -0.145 9.425
202 HB3 GLU 30 2HB GLU 30 6.157 -0.359 10.008
203 HG2 GLU 30 1HG GLU 30 6.478 2.007 8.872
204 HG3 GLU 30 2HG GLU 30 4.743 2.107 9.171
205 H HIS 31 H HIS 31 3.896 -1.445 6.971
206 HA HIS 31 HA HIS 31 4.458 -4.104 7.883
207 HB2 HIS 31 1HB HIS 31 2.177 -3.677 7.836
208 HB3 HIS 31 2HB HIS 31 2.265 -2.816 6.302
209 HD1 HIS 31 HD1 HIS 31 1.919 -6.229 7.754
210 HD2 HIS 31 HD2 HIS 31 2.181 -4.448 4.010
211 HE1 HIS 31 HE1 HIS 31 1.252 -8.013 6.112
212 H GLN 32 H GLN 32 4.365 -2.511 4.710
213 HA GLN 32 HA GLN 32 4.867 -4.645 3.057
214 HB2 GLN 32 1HB GLN 32 5.723 -1.768 2.915
215 HB3 GLN 32 2HB GLN 32 6.179 -2.909 1.656
216 HG2 GLN 32 1HG GLN 32 3.616 -3.436 1.632
217 HG3 GLN 32 2HG GLN 32 3.496 -1.837 2.364
218 HE21 GLN 32 1HE2 GLN 32 2.278 -1.479 0.328
219 HE22 GLN 32 2HE2 GLN 32 3.168 -0.968 -1.062
220 H ALA 33 H ALA 33 7.112 -2.919 5.126
221 HA ALA 33 HA ALA 33 9.542 -3.791 4.127
222 HB1 ALA 33 3HB ALA 33 8.575 -2.654 6.598
223 HB2 ALA 33 1HB ALA 33 9.865 -3.821 6.891
224 HB3 ALA 33 2HB ALA 33 10.138 -2.458 5.804
225 H LEU 34 H LEU 34 7.294 -5.450 6.288
226 HA LEU 34 HA LEU 34 8.874 -7.608 7.036
227 HB2 LEU 34 1HB LEU 34 6.962 -8.575 7.829
228 HB3 LEU 34 2HB LEU 34 6.451 -6.892 7.706
229 HG LEU 34 HG LEU 34 5.610 -7.698 5.328
230 HD11 LEU 34 1HD1 LEU 34 5.573 -10.216 6.986
231 HD12 LEU 34 2HD1 LEU 34 6.475 -9.953 5.494
232 HD13 LEU 34 3HD1 LEU 34 4.712 -9.982 5.464
233 HD21 LEU 34 3HD2 LEU 34 4.101 -6.722 6.839
234 HD22 LEU 34 1HD2 LEU 34 4.278 -8.039 8.000
235 HD23 LEU 34 2HD2 LEU 34 3.423 -8.311 6.481
236 H HIS 35 H HIS 35 6.953 -7.115 4.117
237 HA HIS 35 HA HIS 35 7.231 -9.712 3.060
238 HB2 HIS 35 1HB HIS 35 6.696 -7.038 1.772
239 HB3 HIS 35 2HB HIS 35 6.758 -8.534 0.845
240 HD1 HIS 35 HD1 HIS 35 5.166 -10.434 2.550
241 HD2 HIS 35 HD2 HIS 35 4.059 -6.473 1.962
242 HE1 HIS 35 HE1 HIS 35 2.694 -10.352 3.003
243 H ALA 36 H ALA 36 9.048 -6.725 2.373
244 HA ALA 36 HA ALA 36 10.905 -7.939 0.622
245 HB1 ALA 36 3HB ALA 36 11.892 -5.887 0.472
246 HB2 ALA 36 1HB ALA 36 10.312 -5.410 1.097
247 HB3 ALA 36 2HB ALA 36 11.691 -5.540 2.190
248 H GLY 37 H GLY 37 11.780 -9.789 1.531
249 HA2 GLY 37 1HA GLY 37 14.075 -9.421 3.169
250 HA3 GLY 37 2HA GLY 37 12.761 -10.123 4.101
251 H GLU 38 H GLU 38 12.952 -12.244 4.283
252 HA GLU 38 HA GLU 38 14.659 -13.827 2.716
253 HB2 GLU 38 1HB GLU 38 13.976 -14.449 4.987
254 HB3 GLU 38 2HB GLU 38 12.322 -14.677 4.436
255 HG2 GLU 38 1HG GLU 38 13.259 -16.424 2.846
256 HG3 GLU 38 2HG GLU 38 14.742 -16.324 3.793
257 H SER 39 H SER 39 14.255 -13.674 0.540
258 HA SER 39 HA SER 39 11.729 -13.819 -0.675
259 HB2 SER 39 1HB SER 39 14.039 -13.103 -1.653
260 HB3 SER 39 2HB SER 39 14.206 -14.812 -2.053
261 HG SER 39 HG SER 39 13.123 -14.229 -3.767
262 H GLY 40 H GLY 40 14.209 -16.341 -0.237
263 HA2 GLY 40 1HA GLY 40 13.216 -18.513 0.578
264 HA3 GLY 40 2HA GLY 40 12.108 -18.347 -0.776
265 HA PRO 41 HA PRO 41 16.392 -20.288 -1.902
266 HB2 PRO 41 1HB PRO 41 16.074 -22.880 -1.160
267 HB3 PRO 41 2HB PRO 41 16.808 -21.664 -0.109
268 HG2 PRO 41 1HG PRO 41 14.009 -22.727 -0.109
269 HG3 PRO 41 2HG PRO 41 15.081 -22.398 1.265
270 HD2 PRO 41 1HD PRO 41 13.109 -20.701 0.517
271 HD3 PRO 41 2HD PRO 41 14.631 -20.138 1.236
272 H SER 42 H SER 42 16.687 -22.131 -3.476
273 HA SER 42 HA SER 42 16.129 -22.897 -5.561
274 HB2 SER 42 1HB SER 42 13.886 -23.925 -3.822
275 HB3 SER 42 2HB SER 42 14.073 -24.406 -5.509
276 HG SER 42 HG SER 42 16.402 -24.808 -4.612
277 H SER 43 H SER 43 15.567 -20.270 -5.497
278 HA SER 43 HA SER 43 12.827 -19.805 -6.318
279 HB2 SER 43 1HB SER 43 13.984 -18.113 -4.966
280 HB3 SER 43 2HB SER 43 15.202 -17.926 -6.227
281 HG SER 43 HG SER 43 13.161 -17.487 -7.570
282 H GLY 44 H GLY 44 16.050 -19.431 -7.803
283 HA2 GLY 44 1HA GLY 44 16.676 -19.911 -9.991
284 HA3 GLY 44 2HA GLY 44 15.005 -20.319 -10.351
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -19.638 -20.090 10.005
2 HA2 GLY 1 1HA GLY 1 -18.233 -21.419 11.418
3 HA3 GLY 1 2HA GLY 1 -17.287 -21.108 9.969
4 H SER 2 H SER 2 -16.425 -18.588 10.225
5 HA SER 2 HA SER 2 -15.324 -18.178 12.878
6 HB2 SER 2 1HB SER 2 -12.976 -18.115 12.009
7 HB3 SER 2 2HB SER 2 -13.695 -19.725 11.987
8 HG SER 2 HG SER 2 -14.084 -18.260 9.688
9 H SER 3 H SER 3 -14.628 -16.086 13.241
10 HA SER 3 HA SER 3 -15.825 -14.024 11.866
11 HB2 SER 3 1HB SER 3 -14.549 -12.533 13.183
12 HB3 SER 3 2HB SER 3 -14.690 -13.987 14.170
13 HG SER 3 HG SER 3 -12.601 -14.569 13.510
14 H GLY 4 H GLY 4 -15.451 -12.974 10.019
15 HA2 GLY 4 1HA GLY 4 -12.773 -12.796 8.917
16 HA3 GLY 4 2HA GLY 4 -13.900 -13.761 7.974
17 H SER 5 H SER 5 -13.425 -10.546 9.382
18 HA SER 5 HA SER 5 -15.452 -9.393 7.665
19 HB2 SER 5 1HB SER 5 -13.583 -8.230 9.731
20 HB3 SER 5 2HB SER 5 -14.643 -7.227 8.740
21 HG SER 5 HG SER 5 -16.408 -8.459 9.580
22 H SER 6 H SER 6 -14.878 -7.379 6.411
23 HA SER 6 HA SER 6 -12.199 -7.522 5.224
24 HB2 SER 6 1HB SER 6 -13.243 -7.246 2.954
25 HB3 SER 6 2HB SER 6 -13.557 -8.809 3.707
26 HG SER 6 HG SER 6 -15.410 -7.678 2.728
27 H GLY 7 H GLY 7 -11.927 -5.601 3.631
28 HA2 GLY 7 1HA GLY 7 -12.595 -3.212 5.137
29 HA3 GLY 7 2HA GLY 7 -11.508 -3.310 3.759
30 H ALA 8 H ALA 8 -13.602 -1.361 4.283
31 HA ALA 8 HA ALA 8 -15.463 -1.953 2.080
32 HB1 ALA 8 3HB ALA 8 -16.293 0.367 3.457
33 HB2 ALA 8 1HB ALA 8 -17.057 -1.223 3.437
34 HB3 ALA 8 2HB ALA 8 -15.861 -0.834 4.673
35 H ALA 9 H ALA 9 -13.728 0.816 3.519
36 HA ALA 9 HA ALA 9 -14.015 2.555 1.355
37 HB1 ALA 9 3HB ALA 9 -12.636 2.539 3.843
38 HB2 ALA 9 1HB ALA 9 -11.526 3.093 2.589
39 HB3 ALA 9 2HB ALA 9 -13.068 3.915 2.828
40 H LYS 10 H LYS 10 -13.494 1.961 -0.664
41 HA LYS 10 HA LYS 10 -11.508 0.166 -1.429
42 HB2 LYS 10 1HB LYS 10 -13.084 2.279 -2.811
43 HB3 LYS 10 2HB LYS 10 -11.667 1.651 -3.644
44 HG2 LYS 10 1HG LYS 10 -13.561 0.411 -4.374
45 HG3 LYS 10 2HG LYS 10 -12.591 -0.643 -3.342
46 HD2 LYS 10 1HD LYS 10 -14.667 -1.060 -2.481
47 HD3 LYS 10 2HD LYS 10 -14.195 0.307 -1.468
48 HE2 LYS 10 1HE LYS 10 -15.361 1.802 -3.109
49 HE3 LYS 10 2HE LYS 10 -15.970 0.352 -3.904
50 HZ1 LYS 10 3HZ LYS 10 -17.680 0.729 -2.494
51 HZ2 LYS 10 1HZ LYS 10 -16.727 1.525 -1.344
52 HZ3 LYS 10 2HZ LYS 10 -16.712 -0.164 -1.431
53 H THR 11 H THR 11 -11.393 3.728 -1.628
54 HA THR 11 HA THR 11 -8.640 3.818 -2.297
55 HB THR 11 HB THR 11 -8.797 6.241 -1.751
56 HG1 THR 11 HG1 THR 11 -11.189 5.358 -0.618
57 HG21 THR 11 3HG2 THR 11 -10.747 6.685 -3.393
58 HG22 THR 11 1HG2 THR 11 -10.826 4.929 -3.528
59 HG23 THR 11 2HG2 THR 11 -9.347 5.782 -3.969
60 H THR 12 H THR 12 -7.600 2.502 -0.741
61 HA THR 12 HA THR 12 -6.892 3.948 1.679
62 HB THR 12 HB THR 12 -7.811 1.081 1.908
63 HG1 THR 12 HG1 THR 12 -9.777 1.809 2.181
64 HG21 THR 12 3HG2 THR 12 -7.914 1.817 4.362
65 HG22 THR 12 1HG2 THR 12 -6.939 3.196 3.858
66 HG23 THR 12 2HG2 THR 12 -6.319 1.557 3.657
67 H SER 13 H SER 13 -4.994 3.067 2.741
68 HA SER 13 HA SER 13 -3.064 2.140 0.843
69 HB2 SER 13 1HB SER 13 -2.674 2.331 3.831
70 HB3 SER 13 2HB SER 13 -1.448 2.443 2.568
71 HG SER 13 HG SER 13 -2.843 4.407 3.666
72 H GLU 14 H GLU 14 -4.502 0.148 0.472
73 HA GLU 14 HA GLU 14 -4.169 -1.954 2.443
74 HB2 GLU 14 1HB GLU 14 -6.276 -2.012 1.397
75 HB3 GLU 14 2HB GLU 14 -5.587 -1.764 -0.201
76 HG2 GLU 14 1HG GLU 14 -4.595 -4.009 -0.102
77 HG3 GLU 14 2HG GLU 14 -5.348 -4.254 1.473
78 H CYS 15 H CYS 15 -2.958 -3.815 2.178
79 HA CYS 15 HA CYS 15 -0.677 -3.546 0.408
80 HB2 CYS 15 1HB CYS 15 -0.601 -4.295 2.869
81 HB3 CYS 15 2HB CYS 15 -1.191 -5.846 2.282
82 H GLN 16 H GLN 16 -1.606 -3.902 -1.631
83 HA GLN 16 HA GLN 16 -3.294 -5.907 -2.434
84 HB2 GLN 16 1HB GLN 16 -2.148 -5.741 -4.671
85 HB3 GLN 16 2HB GLN 16 -2.688 -4.211 -3.992
86 HG2 GLN 16 1HG GLN 16 0.098 -5.074 -3.446
87 HG3 GLN 16 2HG GLN 16 -0.298 -4.498 -5.065
88 HE21 GLN 16 1HE2 GLN 16 1.338 -3.393 -2.798
89 HE22 GLN 16 2HE2 GLN 16 0.749 -1.783 -2.588
90 H GLU 17 H GLU 17 -0.055 -6.204 -1.346
91 HA GLU 17 HA GLU 17 0.699 -8.586 -2.642
92 HB2 GLU 17 1HB GLU 17 1.534 -7.450 0.030
93 HB3 GLU 17 2HB GLU 17 2.302 -8.835 -0.733
94 HG2 GLU 17 1HG GLU 17 3.340 -7.572 -2.313
95 HG3 GLU 17 2HG GLU 17 2.086 -6.334 -2.309
96 H CYS 18 H CYS 18 -0.497 -8.138 0.692
97 HA CYS 18 HA CYS 18 -1.353 -10.951 0.677
98 HB2 CYS 18 1HB CYS 18 -1.443 -10.688 3.168
99 HB3 CYS 18 2HB CYS 18 0.165 -10.487 2.480
100 H GLY 19 H GLY 19 -2.426 -7.661 1.391
101 HA2 GLY 19 1HA GLY 19 -4.693 -7.060 0.718
102 HA3 GLY 19 2HA GLY 19 -5.205 -8.651 1.262
103 H LYS 20 H LYS 20 -3.051 -6.406 2.937
104 HA LYS 20 HA LYS 20 -4.960 -6.381 5.172
105 HB2 LYS 20 1HB LYS 20 -2.430 -7.156 5.308
106 HB3 LYS 20 2HB LYS 20 -2.147 -5.428 5.471
107 HG2 LYS 20 1HG LYS 20 -3.215 -5.307 7.505
108 HG3 LYS 20 2HG LYS 20 -4.182 -6.752 7.203
109 HD2 LYS 20 1HD LYS 20 -2.496 -8.175 7.822
110 HD3 LYS 20 2HD LYS 20 -1.224 -7.040 7.363
111 HE2 LYS 20 1HE LYS 20 -2.103 -5.619 9.331
112 HE3 LYS 20 2HE LYS 20 -2.892 -7.106 9.853
113 HZ1 LYS 20 3HZ LYS 20 -0.886 -8.137 10.242
114 HZ2 LYS 20 1HZ LYS 20 -0.542 -6.550 10.717
115 HZ3 LYS 20 2HZ LYS 20 -0.019 -7.114 9.211
116 H ILE 21 H ILE 21 -6.186 -4.623 5.254
117 HA ILE 21 HA ILE 21 -5.457 -2.175 3.957
118 HB ILE 21 HB ILE 21 -7.758 -2.789 5.814
119 HG12 ILE 21 1HG1 ILE 21 -8.949 -2.521 3.477
120 HG13 ILE 21 2HG1 ILE 21 -7.357 -2.939 2.852
121 HG21 ILE 21 1HG2 ILE 21 -7.088 -0.374 5.688
122 HG22 ILE 21 2HG2 ILE 21 -7.466 -0.431 3.967
123 HG23 ILE 21 3HG2 ILE 21 -8.734 -0.721 5.158
124 HD11 ILE 21 3HD1 ILE 21 -8.627 -4.645 4.941
125 HD12 ILE 21 1HD1 ILE 21 -9.119 -4.792 3.254
126 HD13 ILE 21 2HD1 ILE 21 -7.438 -5.071 3.711
127 H PHE 22 H PHE 22 -4.766 -0.276 4.830
128 HA PHE 22 HA PHE 22 -4.274 -0.219 7.731
129 HB2 PHE 22 1HB PHE 22 -2.378 0.643 5.538
130 HB3 PHE 22 2HB PHE 22 -2.136 0.985 7.248
131 HD1 PHE 22 HD1 PHE 22 -1.634 -0.826 8.818
132 HD2 PHE 22 HD2 PHE 22 -1.978 -1.529 4.634
133 HE1 PHE 22 HE1 PHE 22 -0.507 -2.995 9.094
134 HE2 PHE 22 HE2 PHE 22 -0.853 -3.700 4.903
135 HZ PHE 22 HZ PHE 22 -0.116 -4.436 7.135
136 H ARG 23 H ARG 23 -4.670 1.686 8.755
137 HA ARG 23 HA ARG 23 -6.486 3.488 7.776
138 HB2 ARG 23 1HB ARG 23 -5.610 3.182 10.175
139 HB3 ARG 23 2HB ARG 23 -4.353 4.327 9.726
140 HG2 ARG 23 1HG ARG 23 -5.962 5.650 10.743
141 HG3 ARG 23 2HG ARG 23 -6.286 5.862 9.021
142 HD2 ARG 23 1HD ARG 23 -8.362 5.533 10.227
143 HD3 ARG 23 2HD ARG 23 -8.055 4.164 9.160
144 HE ARG 23 HE ARG 23 -7.029 3.280 11.459
145 HH11 ARG 23 1HH1 ARG 23 -10.055 4.854 10.759
146 HH12 ARG 23 2HH1 ARG 23 -10.911 4.068 12.044
147 HH21 ARG 23 1HH2 ARG 23 -8.145 2.238 13.154
148 HH22 ARG 23 2HH2 ARG 23 -9.823 2.581 13.406
149 H HIS 24 H HIS 24 -3.044 4.314 8.234
150 HA HIS 24 HA HIS 24 -3.268 6.092 5.895
151 HB2 HIS 24 1HB HIS 24 -1.220 7.225 7.104
152 HB3 HIS 24 2HB HIS 24 -2.869 7.596 7.600
153 HD2 HIS 24 HD2 HIS 24 -3.671 6.256 10.035
154 HE1 HIS 24 HE1 HIS 24 0.333 5.564 11.256
155 HE2 HIS 24 HE2 HIS 24 -2.091 5.494 11.936
156 H SER 25 H SER 25 -1.643 6.079 4.375
157 HA SER 25 HA SER 25 -0.426 3.852 3.566
158 HB2 SER 25 1HB SER 25 0.680 6.660 3.453
159 HB3 SER 25 2HB SER 25 1.428 5.308 2.603
160 HG SER 25 HG SER 25 -0.028 5.534 1.122
161 H SER 26 H SER 26 1.191 6.173 5.737
162 HA SER 26 HA SER 26 3.578 5.084 6.211
163 HB2 SER 26 1HB SER 26 1.788 5.828 8.528
164 HB3 SER 26 2HB SER 26 3.543 5.971 8.431
165 HG SER 26 HG SER 26 3.100 7.475 6.636
166 H LEU 27 H LEU 27 0.715 4.021 8.058
167 HA LEU 27 HA LEU 27 1.798 1.929 9.441
168 HB2 LEU 27 1HB LEU 27 -0.909 2.408 8.287
169 HB3 LEU 27 2HB LEU 27 -0.556 0.847 9.025
170 HG LEU 27 HG LEU 27 -0.250 3.483 10.456
171 HD11 LEU 27 1HD1 LEU 27 -2.380 2.231 11.603
172 HD12 LEU 27 2HD1 LEU 27 -2.624 1.866 9.896
173 HD13 LEU 27 3HD1 LEU 27 -2.487 3.542 10.428
174 HD21 LEU 27 3HD2 LEU 27 -0.329 1.989 12.454
175 HD22 LEU 27 1HD2 LEU 27 1.094 1.765 11.435
176 HD23 LEU 27 2HD2 LEU 27 -0.234 0.608 11.360
177 H LEU 28 H LEU 28 0.497 1.827 6.138
178 HA LEU 28 HA LEU 28 1.031 -0.930 5.734
179 HB2 LEU 28 1HB LEU 28 -0.583 -0.033 4.321
180 HB3 LEU 28 2HB LEU 28 0.401 1.379 3.938
181 HG LEU 28 HG LEU 28 1.914 -0.154 2.641
182 HD11 LEU 28 1HD1 LEU 28 -0.145 -2.094 3.534
183 HD12 LEU 28 2HD1 LEU 28 1.586 -2.312 3.281
184 HD13 LEU 28 3HD1 LEU 28 0.494 -2.261 1.898
185 HD21 LEU 28 3HD2 LEU 28 -0.944 -0.094 1.687
186 HD22 LEU 28 1HD2 LEU 28 0.514 -0.169 0.698
187 HD23 LEU 28 2HD2 LEU 28 0.153 1.286 1.628
188 H ILE 29 H ILE 29 2.872 2.009 5.205
189 HA ILE 29 HA ILE 29 4.900 1.011 3.569
190 HB ILE 29 HB ILE 29 5.061 3.151 5.694
191 HG12 ILE 29 1HG1 ILE 29 4.620 3.272 2.703
192 HG13 ILE 29 2HG1 ILE 29 3.446 3.670 3.953
193 HG21 ILE 29 1HG2 ILE 29 7.285 2.449 5.279
194 HG22 ILE 29 2HG2 ILE 29 7.004 2.353 3.541
195 HG23 ILE 29 3HG2 ILE 29 7.044 3.924 4.342
196 HD11 ILE 29 3HD1 ILE 29 4.268 5.709 3.098
197 HD12 ILE 29 1HD1 ILE 29 5.006 5.493 4.685
198 HD13 ILE 29 2HD1 ILE 29 5.942 5.168 3.225
199 H GLU 30 H GLU 30 4.607 1.018 7.099
200 HA GLU 30 HA GLU 30 7.166 -0.157 7.552
201 HB2 GLU 30 1HB GLU 30 4.729 0.204 9.288
202 HB3 GLU 30 2HB GLU 30 6.182 -0.601 9.865
203 HG2 GLU 30 1HG GLU 30 5.983 2.237 8.885
204 HG3 GLU 30 2HG GLU 30 6.159 1.712 10.558
205 H HIS 31 H HIS 31 3.903 -1.394 7.150
206 HA HIS 31 HA HIS 31 4.436 -4.051 7.972
207 HB2 HIS 31 1HB HIS 31 2.167 -3.528 7.945
208 HB3 HIS 31 2HB HIS 31 2.266 -2.735 6.376
209 HD1 HIS 31 HD1 HIS 31 1.849 -6.079 7.972
210 HD2 HIS 31 HD2 HIS 31 2.076 -4.449 4.157
211 HE1 HIS 31 HE1 HIS 31 1.098 -7.906 6.415
212 H GLN 32 H GLN 32 4.239 -2.562 4.745
213 HA GLN 32 HA GLN 32 4.706 -4.736 3.152
214 HB2 GLN 32 1HB GLN 32 5.699 -1.902 2.865
215 HB3 GLN 32 2HB GLN 32 5.895 -3.113 1.604
216 HG2 GLN 32 1HG GLN 32 3.287 -3.377 1.971
217 HG3 GLN 32 2HG GLN 32 3.455 -1.716 2.537
218 HE21 GLN 32 1HE2 GLN 32 1.980 -1.514 0.600
219 HE22 GLN 32 2HE2 GLN 32 2.739 -1.202 -0.920
220 H ALA 33 H ALA 33 7.069 -2.873 4.991
221 HA ALA 33 HA ALA 33 9.442 -3.822 3.989
222 HB1 ALA 33 3HB ALA 33 8.987 -2.143 5.895
223 HB2 ALA 33 1HB ALA 33 9.065 -3.556 6.947
224 HB3 ALA 33 2HB ALA 33 10.456 -3.117 5.955
225 H LEU 34 H LEU 34 7.262 -5.406 6.273
226 HA LEU 34 HA LEU 34 8.856 -7.543 7.043
227 HB2 LEU 34 1HB LEU 34 6.956 -8.501 7.890
228 HB3 LEU 34 2HB LEU 34 6.462 -6.814 7.765
229 HG LEU 34 HG LEU 34 5.526 -7.605 5.433
230 HD11 LEU 34 1HD1 LEU 34 6.310 -9.833 5.390
231 HD12 LEU 34 2HD1 LEU 34 4.580 -9.928 5.717
232 HD13 LEU 34 3HD1 LEU 34 5.738 -10.146 7.029
233 HD21 LEU 34 3HD2 LEU 34 4.103 -6.660 7.076
234 HD22 LEU 34 1HD2 LEU 34 4.271 -8.064 8.130
235 HD23 LEU 34 2HD2 LEU 34 3.381 -8.202 6.614
236 H HIS 35 H HIS 35 6.863 -7.144 4.157
237 HA HIS 35 HA HIS 35 7.086 -9.762 3.168
238 HB2 HIS 35 1HB HIS 35 6.605 -7.110 1.820
239 HB3 HIS 35 2HB HIS 35 6.656 -8.618 0.914
240 HD1 HIS 35 HD1 HIS 35 5.029 -10.481 2.617
241 HD2 HIS 35 HD2 HIS 35 3.977 -6.509 2.002
242 HE1 HIS 35 HE1 HIS 35 2.556 -10.364 3.057
243 H ALA 36 H ALA 36 9.194 -6.964 2.898
244 HA ALA 36 HA ALA 36 10.970 -8.291 1.034
245 HB1 ALA 36 3HB ALA 36 12.186 -6.270 0.958
246 HB2 ALA 36 1HB ALA 36 10.487 -5.806 1.043
247 HB3 ALA 36 2HB ALA 36 11.501 -5.711 2.484
248 H GLY 37 H GLY 37 10.769 -9.884 3.215
249 HA2 GLY 37 1HA GLY 37 13.424 -9.563 4.458
250 HA3 GLY 37 2HA GLY 37 12.026 -9.988 5.434
251 H GLU 38 H GLU 38 13.394 -11.098 2.330
252 HA GLU 38 HA GLU 38 13.290 -13.842 3.397
253 HB2 GLU 38 1HB GLU 38 12.791 -14.611 1.090
254 HB3 GLU 38 2HB GLU 38 11.521 -13.606 1.773
255 HG2 GLU 38 1HG GLU 38 11.654 -12.694 -0.299
256 HG3 GLU 38 2HG GLU 38 12.839 -11.692 0.537
257 H SER 39 H SER 39 14.737 -15.357 2.135
258 HA SER 39 HA SER 39 17.235 -13.971 1.407
259 HB2 SER 39 1HB SER 39 17.160 -15.320 3.614
260 HB3 SER 39 2HB SER 39 17.165 -16.745 2.575
261 HG SER 39 HG SER 39 19.068 -14.789 2.041
262 H GLY 40 H GLY 40 18.433 -14.775 -0.314
263 HA2 GLY 40 1HA GLY 40 18.700 -16.818 -1.796
264 HA3 GLY 40 2HA GLY 40 16.964 -16.674 -2.032
265 HA PRO 41 HA PRO 41 19.144 -14.379 -5.439
266 HB2 PRO 41 1HB PRO 41 17.719 -15.516 -7.450
267 HB3 PRO 41 2HB PRO 41 19.192 -16.236 -6.791
268 HG2 PRO 41 1HG PRO 41 16.333 -16.900 -6.203
269 HG3 PRO 41 2HG PRO 41 17.704 -17.993 -6.469
270 HD2 PRO 41 1HD PRO 41 16.775 -17.397 -3.997
271 HD3 PRO 41 2HD PRO 41 18.487 -17.738 -4.317
272 H SER 42 H SER 42 18.132 -12.467 -4.704
273 HA SER 42 HA SER 42 15.338 -11.997 -5.039
274 HB2 SER 42 1HB SER 42 17.648 -10.110 -4.532
275 HB3 SER 42 2HB SER 42 15.956 -9.612 -4.548
276 HG SER 42 HG SER 42 15.919 -10.222 -2.547
277 H SER 43 H SER 43 14.578 -12.142 -7.075
278 HA SER 43 HA SER 43 16.021 -10.832 -9.251
279 HB2 SER 43 1HB SER 43 13.833 -12.869 -9.099
280 HB3 SER 43 2HB SER 43 14.001 -11.903 -10.565
281 HG SER 43 HG SER 43 15.437 -14.017 -9.787
282 H GLY 44 H GLY 44 12.767 -10.851 -7.806
283 HA2 GLY 44 1HA GLY 44 11.819 -8.669 -9.376
284 HA3 GLY 44 2HA GLY 44 11.050 -9.324 -7.938
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -23.410 -16.699 -3.529
2 HA2 GLY 1 1HA GLY 1 -23.556 -18.468 -1.722
3 HA3 GLY 1 2HA GLY 1 -22.143 -19.162 -2.505
4 H SER 2 H SER 2 -21.039 -18.961 -0.483
5 HA SER 2 HA SER 2 -20.649 -16.455 0.790
6 HB2 SER 2 1HB SER 2 -18.820 -17.631 2.011
7 HB3 SER 2 2HB SER 2 -20.345 -18.516 2.034
8 HG SER 2 HG SER 2 -18.379 -19.025 0.074
9 H SER 3 H SER 3 -19.803 -14.837 -0.390
10 HA SER 3 HA SER 3 -17.462 -15.357 -2.067
11 HB2 SER 3 1HB SER 3 -19.132 -14.114 -3.222
12 HB3 SER 3 2HB SER 3 -19.359 -13.017 -1.860
13 HG SER 3 HG SER 3 -17.746 -12.706 -3.909
14 H GLY 4 H GLY 4 -18.523 -13.097 0.475
15 HA2 GLY 4 1HA GLY 4 -17.257 -12.324 2.278
16 HA3 GLY 4 2HA GLY 4 -15.836 -13.081 1.574
17 H SER 5 H SER 5 -16.772 -10.243 2.554
18 HA SER 5 HA SER 5 -15.198 -8.833 0.545
19 HB2 SER 5 1HB SER 5 -17.657 -8.644 -0.064
20 HB3 SER 5 2HB SER 5 -17.869 -7.729 1.428
21 HG SER 5 HG SER 5 -17.295 -6.665 -0.773
22 H SER 6 H SER 6 -13.715 -7.666 1.552
23 HA SER 6 HA SER 6 -14.327 -6.625 4.241
24 HB2 SER 6 1HB SER 6 -11.721 -7.748 3.193
25 HB3 SER 6 2HB SER 6 -11.871 -6.879 4.720
26 HG SER 6 HG SER 6 -12.035 -9.089 5.098
27 H GLY 7 H GLY 7 -12.863 -4.763 4.857
28 HA2 GLY 7 1HA GLY 7 -12.451 -2.526 4.451
29 HA3 GLY 7 2HA GLY 7 -11.379 -3.183 3.223
30 H ALA 8 H ALA 8 -14.893 -2.707 3.628
31 HA ALA 8 HA ALA 8 -15.102 -2.008 0.807
32 HB1 ALA 8 3HB ALA 8 -17.482 -1.925 2.567
33 HB2 ALA 8 1HB ALA 8 -17.300 -2.557 0.930
34 HB3 ALA 8 2HB ALA 8 -16.723 -3.496 2.308
35 H ALA 9 H ALA 9 -14.141 0.024 0.710
36 HA ALA 9 HA ALA 9 -15.823 2.231 1.192
37 HB1 ALA 9 3HB ALA 9 -14.913 1.628 3.536
38 HB2 ALA 9 1HB ALA 9 -13.413 2.357 2.962
39 HB3 ALA 9 2HB ALA 9 -14.894 3.314 3.019
40 H LYS 10 H LYS 10 -14.439 4.367 0.993
41 HA LYS 10 HA LYS 10 -13.378 4.538 -1.503
42 HB2 LYS 10 1HB LYS 10 -13.905 6.448 0.043
43 HB3 LYS 10 2HB LYS 10 -12.363 6.156 0.839
44 HG2 LYS 10 1HG LYS 10 -11.137 6.821 -1.039
45 HG3 LYS 10 2HG LYS 10 -12.535 6.685 -2.108
46 HD2 LYS 10 1HD LYS 10 -12.457 8.958 -1.830
47 HD3 LYS 10 2HD LYS 10 -13.522 8.520 -0.492
48 HE2 LYS 10 1HE LYS 10 -11.302 8.345 0.856
49 HE3 LYS 10 2HE LYS 10 -10.646 9.341 -0.442
50 HZ1 LYS 10 3HZ LYS 10 -11.412 10.715 1.369
51 HZ2 LYS 10 1HZ LYS 10 -12.957 10.029 1.292
52 HZ3 LYS 10 2HZ LYS 10 -12.388 10.976 0.012
53 H THR 11 H THR 11 -11.234 4.717 -2.353
54 HA THR 11 HA THR 11 -9.556 2.667 -2.100
55 HB THR 11 HB THR 11 -9.215 4.527 -3.700
56 HG1 THR 11 HG1 THR 11 -7.390 3.464 -3.853
57 HG21 THR 11 3HG2 THR 11 -7.450 6.044 -1.933
58 HG22 THR 11 1HG2 THR 11 -9.150 6.134 -1.473
59 HG23 THR 11 2HG2 THR 11 -8.649 6.613 -3.094
60 H THR 12 H THR 12 -7.935 1.921 -0.806
61 HA THR 12 HA THR 12 -7.166 3.517 1.531
62 HB THR 12 HB THR 12 -7.651 0.604 1.960
63 HG1 THR 12 HG1 THR 12 -9.798 0.871 2.179
64 HG21 THR 12 3HG2 THR 12 -7.304 3.054 3.553
65 HG22 THR 12 1HG2 THR 12 -6.864 1.388 3.925
66 HG23 THR 12 2HG2 THR 12 -8.525 1.935 4.157
67 H SER 13 H SER 13 -5.236 2.658 2.633
68 HA SER 13 HA SER 13 -3.269 1.848 0.690
69 HB2 SER 13 1HB SER 13 -2.812 2.165 3.656
70 HB3 SER 13 2HB SER 13 -1.643 2.342 2.348
71 HG SER 13 HG SER 13 -2.300 4.374 3.071
72 H GLU 14 H GLU 14 -4.750 -0.226 0.549
73 HA GLU 14 HA GLU 14 -4.159 -2.222 2.555
74 HB2 GLU 14 1HB GLU 14 -6.322 -2.391 1.610
75 HB3 GLU 14 2HB GLU 14 -5.702 -2.257 -0.030
76 HG2 GLU 14 1HG GLU 14 -4.547 -4.461 0.348
77 HG3 GLU 14 2HG GLU 14 -5.473 -4.595 1.841
78 H CYS 15 H CYS 15 -2.783 -3.939 2.371
79 HA CYS 15 HA CYS 15 -0.601 -3.654 0.530
80 HB2 CYS 15 1HB CYS 15 -0.464 -4.464 2.951
81 HB3 CYS 15 2HB CYS 15 -1.084 -6.002 2.359
82 H GLN 16 H GLN 16 -0.801 -4.261 -1.521
83 HA GLN 16 HA GLN 16 -2.697 -6.167 -2.430
84 HB2 GLN 16 1HB GLN 16 -1.415 -5.963 -4.606
85 HB3 GLN 16 2HB GLN 16 -2.074 -4.467 -3.958
86 HG2 GLN 16 1HG GLN 16 0.045 -3.734 -3.229
87 HG3 GLN 16 2HG GLN 16 0.762 -5.324 -3.482
88 HE21 GLN 16 1HE2 GLN 16 2.222 -3.607 -4.602
89 HE22 GLN 16 2HE2 GLN 16 1.947 -3.422 -6.297
90 H GLU 17 H GLU 17 0.430 -6.457 -1.112
91 HA GLU 17 HA GLU 17 1.278 -8.823 -2.428
92 HB2 GLU 17 1HB GLU 17 2.044 -7.614 0.230
93 HB3 GLU 17 2HB GLU 17 2.818 -9.041 -0.442
94 HG2 GLU 17 1HG GLU 17 2.697 -6.426 -1.909
95 HG3 GLU 17 2HG GLU 17 3.998 -6.837 -0.793
96 H CYS 18 H CYS 18 -0.200 -8.285 0.769
97 HA CYS 18 HA CYS 18 -0.939 -11.136 0.812
98 HB2 CYS 18 1HB CYS 18 -1.089 -10.904 3.262
99 HB3 CYS 18 2HB CYS 18 0.518 -10.500 2.665
100 H GLY 19 H GLY 19 -2.104 -7.857 1.467
101 HA2 GLY 19 1HA GLY 19 -4.338 -7.285 0.673
102 HA3 GLY 19 2HA GLY 19 -4.854 -8.891 1.166
103 H LYS 20 H LYS 20 -2.925 -6.461 2.895
104 HA LYS 20 HA LYS 20 -4.907 -6.582 5.068
105 HB2 LYS 20 1HB LYS 20 -2.348 -7.216 5.322
106 HB3 LYS 20 2HB LYS 20 -2.165 -5.475 5.483
107 HG2 LYS 20 1HG LYS 20 -3.306 -5.399 7.473
108 HG3 LYS 20 2HG LYS 20 -4.210 -6.877 7.135
109 HD2 LYS 20 1HD LYS 20 -2.512 -8.239 7.841
110 HD3 LYS 20 2HD LYS 20 -1.255 -7.075 7.413
111 HE2 LYS 20 1HE LYS 20 -3.178 -6.640 9.686
112 HE3 LYS 20 2HE LYS 20 -1.636 -7.470 9.887
113 HZ1 LYS 20 3HZ LYS 20 -1.292 -5.215 10.444
114 HZ2 LYS 20 1HZ LYS 20 -2.079 -4.661 9.052
115 HZ3 LYS 20 2HZ LYS 20 -0.580 -5.434 8.925
116 H ILE 21 H ILE 21 -6.165 -4.865 5.289
117 HA ILE 21 HA ILE 21 -5.655 -2.422 3.893
118 HB ILE 21 HB ILE 21 -7.757 -3.032 5.975
119 HG12 ILE 21 1HG1 ILE 21 -9.193 -3.081 3.807
120 HG13 ILE 21 2HG1 ILE 21 -7.658 -3.345 2.988
121 HG21 ILE 21 1HG2 ILE 21 -7.203 -0.603 5.556
122 HG22 ILE 21 2HG2 ILE 21 -7.795 -0.844 3.913
123 HG23 ILE 21 3HG2 ILE 21 -8.881 -1.070 5.284
124 HD11 ILE 21 3HD1 ILE 21 -9.251 -5.307 3.928
125 HD12 ILE 21 1HD1 ILE 21 -7.512 -5.466 3.685
126 HD13 ILE 21 2HD1 ILE 21 -8.149 -5.095 5.288
127 H PHE 22 H PHE 22 -5.055 -0.440 4.680
128 HA PHE 22 HA PHE 22 -4.352 -0.262 7.526
129 HB2 PHE 22 1HB PHE 22 -2.585 0.493 5.192
130 HB3 PHE 22 2HB PHE 22 -2.268 0.970 6.857
131 HD1 PHE 22 HD1 PHE 22 -1.735 -0.750 8.552
132 HD2 PHE 22 HD2 PHE 22 -2.092 -1.689 4.416
133 HE1 PHE 22 HE1 PHE 22 -0.545 -2.869 8.934
134 HE2 PHE 22 HE2 PHE 22 -0.904 -3.810 4.792
135 HZ PHE 22 HZ PHE 22 -0.129 -4.403 7.053
136 H ARG 23 H ARG 23 -4.898 1.611 8.482
137 HA ARG 23 HA ARG 23 -6.723 3.359 7.457
138 HB2 ARG 23 1HB ARG 23 -5.923 3.164 9.857
139 HB3 ARG 23 2HB ARG 23 -4.587 4.216 9.407
140 HG2 ARG 23 1HG ARG 23 -6.146 5.658 10.344
141 HG3 ARG 23 2HG ARG 23 -6.392 5.847 8.607
142 HD2 ARG 23 1HD ARG 23 -8.203 4.067 8.843
143 HD3 ARG 23 2HD ARG 23 -8.073 4.330 10.581
144 HE ARG 23 HE ARG 23 -9.229 6.283 10.326
145 HH11 ARG 23 1HH1 ARG 23 -7.987 5.297 7.227
146 HH12 ARG 23 2HH1 ARG 23 -8.824 6.536 6.351
147 HH21 ARG 23 1HH2 ARG 23 -10.336 7.918 9.184
148 HH22 ARG 23 2HH2 ARG 23 -10.159 8.026 7.466
149 H HIS 24 H HIS 24 -3.235 4.071 7.726
150 HA HIS 24 HA HIS 24 -3.524 5.851 5.396
151 HB2 HIS 24 1HB HIS 24 -1.419 6.973 6.601
152 HB3 HIS 24 2HB HIS 24 -3.075 7.451 6.965
153 HD2 HIS 24 HD2 HIS 24 -4.103 6.154 9.387
154 HE1 HIS 24 HE1 HIS 24 -0.200 5.643 10.969
155 HE2 HIS 24 HE2 HIS 24 -2.670 5.535 11.449
156 H SER 25 H SER 25 -1.181 6.376 4.533
157 HA SER 25 HA SER 25 -0.165 3.971 3.478
158 HB2 SER 25 1HB SER 25 1.169 6.689 3.541
159 HB3 SER 25 2HB SER 25 1.570 5.356 2.458
160 HG SER 25 HG SER 25 -0.246 5.687 1.344
161 H SER 26 H SER 26 1.412 6.291 5.685
162 HA SER 26 HA SER 26 3.736 5.159 6.291
163 HB2 SER 26 1HB SER 26 3.038 5.683 8.829
164 HB3 SER 26 2HB SER 26 3.388 6.957 7.661
165 HG SER 26 HG SER 26 1.456 7.544 8.407
166 H LEU 27 H LEU 27 0.677 4.055 7.738
167 HA LEU 27 HA LEU 27 1.671 1.989 9.295
168 HB2 LEU 27 1HB LEU 27 -0.941 2.475 7.935
169 HB3 LEU 27 2HB LEU 27 -0.651 0.928 8.728
170 HG LEU 27 HG LEU 27 -0.403 3.573 10.146
171 HD11 LEU 27 1HD1 LEU 27 -2.643 3.625 9.634
172 HD12 LEU 27 2HD1 LEU 27 -2.657 2.721 11.147
173 HD13 LEU 27 3HD1 LEU 27 -2.791 1.868 9.609
174 HD21 LEU 27 3HD2 LEU 27 -0.646 2.168 12.145
175 HD22 LEU 27 1HD2 LEU 27 0.770 1.722 11.192
176 HD23 LEU 27 2HD2 LEU 27 -0.689 0.732 11.120
177 H LEU 28 H LEU 28 0.450 1.801 5.952
178 HA LEU 28 HA LEU 28 1.070 -0.927 5.589
179 HB2 LEU 28 1HB LEU 28 -0.491 -0.037 4.103
180 HB3 LEU 28 2HB LEU 28 0.523 1.355 3.728
181 HG LEU 28 HG LEU 28 2.042 -0.133 2.470
182 HD11 LEU 28 1HD1 LEU 28 1.583 -2.211 3.657
183 HD12 LEU 28 2HD1 LEU 28 1.319 -2.400 1.924
184 HD13 LEU 28 3HD1 LEU 28 -0.059 -2.227 3.012
185 HD21 LEU 28 3HD2 LEU 28 -0.446 -0.798 1.135
186 HD22 LEU 28 1HD2 LEU 28 0.850 0.290 0.637
187 HD23 LEU 28 2HD2 LEU 28 -0.421 0.869 1.713
188 H ILE 29 H ILE 29 2.925 2.011 5.178
189 HA ILE 29 HA ILE 29 5.028 1.031 3.620
190 HB ILE 29 HB ILE 29 5.131 3.144 5.776
191 HG12 ILE 29 1HG1 ILE 29 4.764 3.396 2.782
192 HG13 ILE 29 2HG1 ILE 29 3.491 3.596 3.981
193 HG21 ILE 29 1HG2 ILE 29 7.356 2.724 5.430
194 HG22 ILE 29 2HG2 ILE 29 7.111 2.200 3.765
195 HG23 ILE 29 3HG2 ILE 29 7.058 3.917 4.166
196 HD11 ILE 29 3HD1 ILE 29 5.626 5.434 3.161
197 HD12 ILE 29 1HD1 ILE 29 4.002 5.766 3.763
198 HD13 ILE 29 2HD1 ILE 29 5.299 5.371 4.893
199 H GLU 30 H GLU 30 4.573 1.027 7.133
200 HA GLU 30 HA GLU 30 7.112 -0.150 7.695
201 HB2 GLU 30 1HB GLU 30 4.612 0.295 9.304
202 HB3 GLU 30 2HB GLU 30 5.958 -0.627 9.957
203 HG2 GLU 30 1HG GLU 30 6.080 2.221 8.991
204 HG3 GLU 30 2HG GLU 30 6.025 1.699 10.674
205 H HIS 31 H HIS 31 3.868 -1.380 7.148
206 HA HIS 31 HA HIS 31 4.380 -4.043 7.987
207 HB2 HIS 31 1HB HIS 31 2.111 -3.495 7.916
208 HB3 HIS 31 2HB HIS 31 2.245 -2.732 6.334
209 HD1 HIS 31 HD1 HIS 31 1.599 -5.977 7.984
210 HD2 HIS 31 HD2 HIS 31 2.290 -4.555 4.142
211 HE1 HIS 31 HE1 HIS 31 0.927 -7.848 6.444
212 H GLN 32 H GLN 32 4.450 -2.435 4.831
213 HA GLN 32 HA GLN 32 4.852 -4.585 3.166
214 HB2 GLN 32 1HB GLN 32 5.881 -1.765 3.075
215 HB3 GLN 32 2HB GLN 32 6.307 -2.919 1.818
216 HG2 GLN 32 1HG GLN 32 3.765 -3.304 1.627
217 HG3 GLN 32 2HG GLN 32 3.630 -1.779 2.501
218 HE21 GLN 32 1HE2 GLN 32 2.499 -1.284 0.413
219 HE22 GLN 32 2HE2 GLN 32 3.461 -0.630 -0.864
220 H ALA 33 H ALA 33 7.213 -2.918 5.187
221 HA ALA 33 HA ALA 33 9.582 -3.953 4.278
222 HB1 ALA 33 3HB ALA 33 10.445 -3.680 6.549
223 HB2 ALA 33 1HB ALA 33 9.442 -2.310 6.072
224 HB3 ALA 33 2HB ALA 33 8.797 -3.540 7.160
225 H LEU 34 H LEU 34 7.220 -5.514 6.397
226 HA LEU 34 HA LEU 34 8.628 -7.756 7.169
227 HB2 LEU 34 1HB LEU 34 6.622 -8.665 7.795
228 HB3 LEU 34 2HB LEU 34 6.205 -6.956 7.697
229 HG LEU 34 HG LEU 34 5.460 -7.610 5.260
230 HD11 LEU 34 1HD1 LEU 34 6.122 -9.844 5.111
231 HD12 LEU 34 2HD1 LEU 34 4.388 -9.927 5.420
232 HD13 LEU 34 3HD1 LEU 34 5.532 -10.224 6.729
233 HD21 LEU 34 3HD2 LEU 34 3.656 -6.854 6.342
234 HD22 LEU 34 1HD2 LEU 34 4.131 -7.618 7.859
235 HD23 LEU 34 2HD2 LEU 34 3.281 -8.554 6.629
236 H HIS 35 H HIS 35 7.102 -7.059 4.090
237 HA HIS 35 HA HIS 35 7.547 -9.730 3.072
238 HB2 HIS 35 1HB HIS 35 6.618 -7.218 1.664
239 HB3 HIS 35 2HB HIS 35 6.627 -8.835 0.966
240 HD1 HIS 35 HD1 HIS 35 5.187 -10.605 2.680
241 HD2 HIS 35 HD2 HIS 35 4.160 -6.581 2.554
242 HE1 HIS 35 HE1 HIS 35 2.829 -10.485 3.546
243 H ALA 36 H ALA 36 9.877 -8.300 3.981
244 HA ALA 36 HA ALA 36 11.517 -8.643 1.628
245 HB1 ALA 36 3HB ALA 36 11.569 -5.972 3.021
246 HB2 ALA 36 1HB ALA 36 12.495 -6.461 1.602
247 HB3 ALA 36 2HB ALA 36 10.745 -6.276 1.492
248 H GLY 37 H GLY 37 13.841 -8.538 2.137
249 HA2 GLY 37 1HA GLY 37 14.696 -8.414 4.868
250 HA3 GLY 37 2HA GLY 37 14.571 -10.071 4.294
251 H GLU 38 H GLU 38 16.655 -10.679 4.139
252 HA GLU 38 HA GLU 38 18.661 -8.915 3.048
253 HB2 GLU 38 1HB GLU 38 20.226 -10.694 3.510
254 HB3 GLU 38 2HB GLU 38 19.155 -10.502 4.891
255 HG2 GLU 38 1HG GLU 38 18.129 -12.512 4.557
256 HG3 GLU 38 2HG GLU 38 18.436 -12.506 2.821
257 H SER 39 H SER 39 16.624 -9.348 1.205
258 HA SER 39 HA SER 39 18.151 -10.446 -0.995
259 HB2 SER 39 1HB SER 39 16.233 -11.899 -1.740
260 HB3 SER 39 2HB SER 39 17.057 -12.466 -0.287
261 HG SER 39 HG SER 39 14.631 -12.361 -0.327
262 H GLY 40 H GLY 40 17.217 -9.933 -3.087
263 HA2 GLY 40 1HA GLY 40 14.962 -8.671 -3.790
264 HA3 GLY 40 2HA GLY 40 15.844 -7.374 -2.997
265 HA PRO 41 HA PRO 41 18.206 -8.712 -7.043
266 HB2 PRO 41 1HB PRO 41 16.596 -9.808 -8.933
267 HB3 PRO 41 2HB PRO 41 17.482 -10.775 -7.748
268 HG2 PRO 41 1HG PRO 41 14.613 -9.920 -7.730
269 HG3 PRO 41 2HG PRO 41 15.313 -11.496 -7.319
270 HD2 PRO 41 1HD PRO 41 14.566 -9.698 -5.437
271 HD3 PRO 41 2HD PRO 41 15.929 -10.812 -5.206
272 H SER 42 H SER 42 15.241 -7.163 -6.552
273 HA SER 42 HA SER 42 14.901 -5.891 -9.064
274 HB2 SER 42 1HB SER 42 13.395 -4.358 -7.838
275 HB3 SER 42 2HB SER 42 13.064 -6.048 -7.459
276 HG SER 42 HG SER 42 14.648 -4.301 -5.879
277 H SER 43 H SER 43 15.131 -3.556 -9.446
278 HA SER 43 HA SER 43 17.774 -2.697 -9.056
279 HB2 SER 43 1HB SER 43 15.285 -1.265 -9.981
280 HB3 SER 43 2HB SER 43 16.849 -0.454 -9.883
281 HG SER 43 HG SER 43 17.643 -2.183 -11.264
282 H GLY 44 H GLY 44 18.749 -1.519 -7.518
283 HA2 GLY 44 1HA GLY 44 19.023 -0.142 -5.683
284 HA3 GLY 44 2HA GLY 44 17.314 0.256 -5.780
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -18.225 -14.161 4.801
2 HA2 GLY 1 1HA GLY 1 -15.349 -14.516 4.480
3 HA3 GLY 1 2HA GLY 1 -16.056 -13.127 3.669
4 H SER 2 H SER 2 -15.776 -11.316 4.766
5 HA SER 2 HA SER 2 -15.940 -11.422 7.707
6 HB2 SER 2 1HB SER 2 -13.981 -10.034 5.917
7 HB3 SER 2 2HB SER 2 -14.387 -9.306 7.471
8 HG SER 2 HG SER 2 -12.680 -10.638 7.855
9 H SER 3 H SER 3 -17.355 -10.086 8.642
10 HA SER 3 HA SER 3 -18.824 -8.229 6.919
11 HB2 SER 3 1HB SER 3 -19.454 -9.499 9.582
12 HB3 SER 3 2HB SER 3 -20.414 -8.172 8.927
13 HG SER 3 HG SER 3 -20.976 -9.448 7.200
14 H GLY 4 H GLY 4 -18.278 -6.157 6.951
15 HA2 GLY 4 1HA GLY 4 -18.113 -4.072 8.100
16 HA3 GLY 4 2HA GLY 4 -17.522 -4.934 9.513
17 H SER 5 H SER 5 -16.619 -4.303 6.125
18 HA SER 5 HA SER 5 -13.829 -4.038 7.038
19 HB2 SER 5 1HB SER 5 -14.357 -6.042 5.553
20 HB3 SER 5 2HB SER 5 -14.650 -4.882 4.258
21 HG SER 5 HG SER 5 -12.466 -5.754 4.380
22 H SER 6 H SER 6 -13.146 -2.014 6.941
23 HA SER 6 HA SER 6 -14.494 -0.089 5.232
24 HB2 SER 6 1HB SER 6 -13.290 1.599 6.458
25 HB3 SER 6 2HB SER 6 -13.897 0.420 7.621
26 HG SER 6 HG SER 6 -11.354 1.145 7.102
27 H GLY 7 H GLY 7 -13.145 -1.977 3.736
28 HA2 GLY 7 1HA GLY 7 -11.327 -0.271 2.267
29 HA3 GLY 7 2HA GLY 7 -10.570 -1.687 2.980
30 H ALA 8 H ALA 8 -13.820 -1.445 1.611
31 HA ALA 8 HA ALA 8 -13.193 -3.679 -0.154
32 HB1 ALA 8 3HB ALA 8 -15.470 -2.917 1.292
33 HB2 ALA 8 1HB ALA 8 -15.892 -2.740 -0.411
34 HB3 ALA 8 2HB ALA 8 -15.299 -4.287 0.195
35 H ALA 9 H ALA 9 -14.588 -0.412 -0.391
36 HA ALA 9 HA ALA 9 -13.844 -0.404 -3.244
37 HB1 ALA 9 3HB ALA 9 -16.043 -0.082 -3.548
38 HB2 ALA 9 1HB ALA 9 -16.304 0.411 -1.875
39 HB3 ALA 9 2HB ALA 9 -15.699 1.575 -3.053
40 H LYS 10 H LYS 10 -14.372 1.763 -0.463
41 HA LYS 10 HA LYS 10 -13.233 4.067 -1.379
42 HB2 LYS 10 1HB LYS 10 -13.127 2.821 1.365
43 HB3 LYS 10 2HB LYS 10 -12.488 4.427 1.038
44 HG2 LYS 10 1HG LYS 10 -14.793 4.986 0.122
45 HG3 LYS 10 2HG LYS 10 -15.330 3.484 0.877
46 HD2 LYS 10 1HD LYS 10 -14.873 4.265 3.031
47 HD3 LYS 10 2HD LYS 10 -13.816 5.549 2.439
48 HE2 LYS 10 1HE LYS 10 -15.561 6.924 1.901
49 HE3 LYS 10 2HE LYS 10 -16.665 5.584 1.594
50 HZ1 LYS 10 3HZ LYS 10 -16.436 5.226 4.136
51 HZ2 LYS 10 1HZ LYS 10 -17.471 6.430 3.553
52 HZ3 LYS 10 2HZ LYS 10 -15.944 6.844 4.150
53 H THR 11 H THR 11 -11.249 4.794 -1.871
54 HA THR 11 HA THR 11 -9.122 2.998 -2.290
55 HB THR 11 HB THR 11 -7.758 4.982 -2.800
56 HG1 THR 11 HG1 THR 11 -10.040 6.502 -2.024
57 HG21 THR 11 3HG2 THR 11 -10.481 4.614 -3.930
58 HG22 THR 11 1HG2 THR 11 -8.905 4.454 -4.704
59 HG23 THR 11 2HG2 THR 11 -9.585 6.055 -4.410
60 H THR 12 H THR 12 -8.095 2.005 -0.674
61 HA THR 12 HA THR 12 -7.107 3.658 1.555
62 HB THR 12 HB THR 12 -7.843 0.753 1.874
63 HG1 THR 12 HG1 THR 12 -9.604 2.490 1.348
64 HG21 THR 12 3HG2 THR 12 -6.456 1.372 3.637
65 HG22 THR 12 1HG2 THR 12 -8.067 1.648 4.298
66 HG23 THR 12 2HG2 THR 12 -7.111 3.008 3.709
67 H SER 13 H SER 13 -5.213 2.661 2.678
68 HA SER 13 HA SER 13 -3.279 1.839 0.697
69 HB2 SER 13 1HB SER 13 -2.705 2.038 3.641
70 HB3 SER 13 2HB SER 13 -1.633 2.360 2.278
71 HG SER 13 HG SER 13 -3.197 4.144 1.823
72 H GLU 14 H GLU 14 -4.707 -0.204 0.462
73 HA GLU 14 HA GLU 14 -4.199 -2.233 2.474
74 HB2 GLU 14 1HB GLU 14 -6.371 -2.336 1.538
75 HB3 GLU 14 2HB GLU 14 -5.756 -2.199 -0.103
76 HG2 GLU 14 1HG GLU 14 -4.613 -4.442 0.331
77 HG3 GLU 14 2HG GLU 14 -5.674 -4.563 1.734
78 H CYS 15 H CYS 15 -2.761 -3.867 2.329
79 HA CYS 15 HA CYS 15 -0.633 -3.646 0.438
80 HB2 CYS 15 1HB CYS 15 -0.501 -4.457 2.873
81 HB3 CYS 15 2HB CYS 15 -1.094 -5.998 2.262
82 H GLN 16 H GLN 16 -1.425 -4.007 -1.617
83 HA GLN 16 HA GLN 16 -3.159 -5.989 -2.454
84 HB2 GLN 16 1HB GLN 16 -2.128 -5.727 -4.690
85 HB3 GLN 16 2HB GLN 16 -2.493 -4.187 -3.925
86 HG2 GLN 16 1HG GLN 16 -0.005 -4.352 -3.122
87 HG3 GLN 16 2HG GLN 16 0.139 -5.444 -4.498
88 HE21 GLN 16 1HE2 GLN 16 1.644 -3.290 -4.617
89 HE22 GLN 16 2HE2 GLN 16 1.017 -2.123 -5.725
90 H GLU 17 H GLU 17 0.037 -6.310 -1.307
91 HA GLU 17 HA GLU 17 0.783 -8.679 -2.681
92 HB2 GLU 17 1HB GLU 17 1.726 -7.548 -0.041
93 HB3 GLU 17 2HB GLU 17 2.477 -8.907 -0.866
94 HG2 GLU 17 1HG GLU 17 2.162 -6.250 -2.210
95 HG3 GLU 17 2HG GLU 17 3.522 -6.591 -1.142
96 H CYS 18 H CYS 18 -0.484 -8.133 0.604
97 HA CYS 18 HA CYS 18 -1.234 -10.979 0.698
98 HB2 CYS 18 1HB CYS 18 -1.290 -10.680 3.172
99 HB3 CYS 18 2HB CYS 18 0.302 -10.406 2.472
100 H GLY 19 H GLY 19 -2.353 -7.699 1.442
101 HA2 GLY 19 1HA GLY 19 -4.629 -7.126 0.755
102 HA3 GLY 19 2HA GLY 19 -5.118 -8.727 1.291
103 H LYS 20 H LYS 20 -3.007 -6.434 2.962
104 HA LYS 20 HA LYS 20 -4.906 -6.463 5.207
105 HB2 LYS 20 1HB LYS 20 -2.358 -7.182 5.331
106 HB3 LYS 20 2HB LYS 20 -2.114 -5.448 5.500
107 HG2 LYS 20 1HG LYS 20 -3.154 -5.360 7.543
108 HG3 LYS 20 2HG LYS 20 -4.122 -6.803 7.233
109 HD2 LYS 20 1HD LYS 20 -2.426 -8.232 7.820
110 HD3 LYS 20 2HD LYS 20 -1.160 -7.081 7.384
111 HE2 LYS 20 1HE LYS 20 -1.990 -5.699 9.369
112 HE3 LYS 20 2HE LYS 20 -2.867 -7.148 9.856
113 HZ1 LYS 20 3HZ LYS 20 -0.242 -6.542 10.411
114 HZ2 LYS 20 1HZ LYS 20 -0.164 -7.755 9.234
115 HZ3 LYS 20 2HZ LYS 20 -1.016 -8.024 10.670
116 H ILE 21 H ILE 21 -6.194 -4.743 5.221
117 HA ILE 21 HA ILE 21 -5.579 -2.293 3.924
118 HB ILE 21 HB ILE 21 -7.727 -2.892 5.961
119 HG12 ILE 21 1HG1 ILE 21 -9.142 -2.848 3.799
120 HG13 ILE 21 2HG1 ILE 21 -7.611 -3.065 2.958
121 HG21 ILE 21 1HG2 ILE 21 -7.583 -0.609 4.001
122 HG22 ILE 21 2HG2 ILE 21 -8.812 -0.883 5.235
123 HG23 ILE 21 3HG2 ILE 21 -7.161 -0.480 5.708
124 HD11 ILE 21 3HD1 ILE 21 -7.359 -5.205 3.684
125 HD12 ILE 21 1HD1 ILE 21 -8.265 -4.928 5.171
126 HD13 ILE 21 2HD1 ILE 21 -9.119 -5.107 3.638
127 H PHE 22 H PHE 22 -4.903 -0.350 4.725
128 HA PHE 22 HA PHE 22 -4.224 -0.222 7.583
129 HB2 PHE 22 1HB PHE 22 -2.452 0.556 5.261
130 HB3 PHE 22 2HB PHE 22 -2.126 0.994 6.934
131 HD1 PHE 22 HD1 PHE 22 -1.627 -0.776 8.595
132 HD2 PHE 22 HD2 PHE 22 -1.974 -1.607 4.435
133 HE1 PHE 22 HE1 PHE 22 -0.465 -2.919 8.930
134 HE2 PHE 22 HE2 PHE 22 -0.814 -3.752 4.763
135 HZ PHE 22 HZ PHE 22 -0.058 -4.410 7.013
136 H ARG 23 H ARG 23 -4.716 1.651 8.576
137 HA ARG 23 HA ARG 23 -6.526 3.442 7.571
138 HB2 ARG 23 1HB ARG 23 -5.761 3.170 9.977
139 HB3 ARG 23 2HB ARG 23 -4.406 4.216 9.573
140 HG2 ARG 23 1HG ARG 23 -6.036 5.587 10.581
141 HG3 ARG 23 2HG ARG 23 -6.094 5.938 8.853
142 HD2 ARG 23 1HD ARG 23 -8.341 5.763 9.617
143 HD3 ARG 23 2HD ARG 23 -7.990 4.312 8.678
144 HE ARG 23 HE ARG 23 -7.591 4.059 11.531
145 HH11 ARG 23 1HH1 ARG 23 -9.782 3.682 8.851
146 HH12 ARG 23 2HH1 ARG 23 -10.790 2.535 9.668
147 HH21 ARG 23 1HH2 ARG 23 -8.911 2.549 12.617
148 HH22 ARG 23 2HH2 ARG 23 -10.295 1.891 11.810
149 H HIS 24 H HIS 24 -3.055 4.176 7.982
150 HA HIS 24 HA HIS 24 -3.274 5.993 5.671
151 HB2 HIS 24 1HB HIS 24 -1.187 7.066 6.936
152 HB3 HIS 24 2HB HIS 24 -2.844 7.535 7.306
153 HD2 HIS 24 HD2 HIS 24 -3.888 6.167 9.679
154 HE1 HIS 24 HE1 HIS 24 0.003 5.577 11.262
155 HE2 HIS 24 HE2 HIS 24 -2.470 5.469 11.726
156 H SER 25 H SER 25 -1.166 6.377 4.559
157 HA SER 25 HA SER 25 -0.086 4.035 3.570
158 HB2 SER 25 1HB SER 25 1.752 5.461 2.672
159 HB3 SER 25 2HB SER 25 0.149 6.136 2.379
160 HG SER 25 HG SER 25 0.538 7.399 4.346
161 H SER 26 H SER 26 1.527 6.280 5.828
162 HA SER 26 HA SER 26 3.838 5.101 6.398
163 HB2 SER 26 1HB SER 26 3.134 5.576 8.953
164 HB3 SER 26 2HB SER 26 3.538 6.863 7.818
165 HG SER 26 HG SER 26 1.567 7.545 7.978
166 H LEU 27 H LEU 27 0.789 4.041 7.910
167 HA LEU 27 HA LEU 27 1.755 1.919 9.387
168 HB2 LEU 27 1HB LEU 27 -0.865 2.455 8.054
169 HB3 LEU 27 2HB LEU 27 -0.586 0.909 8.852
170 HG LEU 27 HG LEU 27 -0.252 3.537 10.276
171 HD11 LEU 27 1HD1 LEU 27 -2.478 3.726 9.763
172 HD12 LEU 27 2HD1 LEU 27 -2.562 2.779 11.248
173 HD13 LEU 27 3HD1 LEU 27 -2.723 1.981 9.683
174 HD21 LEU 27 3HD2 LEU 27 -0.579 2.139 12.261
175 HD22 LEU 27 1HD2 LEU 27 0.807 1.605 11.309
176 HD23 LEU 27 2HD2 LEU 27 -0.713 0.712 11.231
177 H LEU 28 H LEU 28 0.512 1.828 6.050
178 HA LEU 28 HA LEU 28 1.057 -0.905 5.623
179 HB2 LEU 28 1HB LEU 28 -0.474 0.053 4.153
180 HB3 LEU 28 2HB LEU 28 0.567 1.435 3.822
181 HG LEU 28 HG LEU 28 2.101 -0.204 2.623
182 HD11 LEU 28 1HD1 LEU 28 0.033 -2.003 3.537
183 HD12 LEU 28 2HD1 LEU 28 1.611 -2.360 2.837
184 HD13 LEU 28 3HD1 LEU 28 0.226 -2.070 1.785
185 HD21 LEU 28 3HD2 LEU 28 0.936 1.276 1.259
186 HD22 LEU 28 1HD2 LEU 28 -0.631 0.581 1.676
187 HD23 LEU 28 2HD2 LEU 28 0.476 -0.306 0.627
188 H ILE 29 H ILE 29 2.987 1.995 5.239
189 HA ILE 29 HA ILE 29 5.070 0.941 3.689
190 HB ILE 29 HB ILE 29 5.155 3.125 5.772
191 HG12 ILE 29 1HG1 ILE 29 4.853 3.176 2.763
192 HG13 ILE 29 2HG1 ILE 29 3.640 3.640 3.951
193 HG21 ILE 29 1HG2 ILE 29 7.176 2.417 3.649
194 HG22 ILE 29 2HG2 ILE 29 7.235 3.838 4.690
195 HG23 ILE 29 3HG2 ILE 29 7.383 2.226 5.390
196 HD11 ILE 29 3HD1 ILE 29 4.459 5.668 3.228
197 HD12 ILE 29 1HD1 ILE 29 5.389 5.385 4.699
198 HD13 ILE 29 2HD1 ILE 29 6.118 5.079 3.122
199 H GLU 30 H GLU 30 4.582 1.003 7.193
200 HA GLU 30 HA GLU 30 7.104 -0.164 7.820
201 HB2 GLU 30 1HB GLU 30 4.555 0.091 9.421
202 HB3 GLU 30 2HB GLU 30 6.059 -0.546 10.072
203 HG2 GLU 30 1HG GLU 30 6.002 2.152 8.796
204 HG3 GLU 30 2HG GLU 30 5.441 1.937 10.454
205 H HIS 31 H HIS 31 3.908 -1.419 7.133
206 HA HIS 31 HA HIS 31 4.429 -4.082 8.010
207 HB2 HIS 31 1HB HIS 31 2.154 -3.561 7.920
208 HB3 HIS 31 2HB HIS 31 2.293 -2.789 6.344
209 HD1 HIS 31 HD1 HIS 31 1.830 -6.105 7.973
210 HD2 HIS 31 HD2 HIS 31 2.220 -4.544 4.143
211 HE1 HIS 31 HE1 HIS 31 1.152 -7.962 6.418
212 H GLN 32 H GLN 32 4.378 -2.524 4.815
213 HA GLN 32 HA GLN 32 4.880 -4.669 3.188
214 HB2 GLN 32 1HB GLN 32 5.796 -1.810 3.041
215 HB3 GLN 32 2HB GLN 32 6.245 -2.968 1.796
216 HG2 GLN 32 1HG GLN 32 3.721 -3.451 1.643
217 HG3 GLN 32 2HG GLN 32 3.535 -1.926 2.507
218 HE21 GLN 32 1HE2 GLN 32 2.370 -1.386 0.496
219 HE22 GLN 32 2HE2 GLN 32 3.281 -0.746 -0.825
220 H ALA 33 H ALA 33 7.238 -2.791 5.049
221 HA ALA 33 HA ALA 33 9.613 -3.789 4.155
222 HB1 ALA 33 3HB ALA 33 9.904 -2.204 5.777
223 HB2 ALA 33 1HB ALA 33 8.673 -2.898 6.832
224 HB3 ALA 33 2HB ALA 33 10.259 -3.660 6.706
225 H LEU 34 H LEU 34 7.291 -5.391 6.258
226 HA LEU 34 HA LEU 34 8.840 -7.542 7.113
227 HB2 LEU 34 1HB LEU 34 6.895 -8.483 7.861
228 HB3 LEU 34 2HB LEU 34 6.409 -6.796 7.706
229 HG LEU 34 HG LEU 34 5.505 -7.471 5.400
230 HD11 LEU 34 1HD1 LEU 34 6.070 -9.553 4.802
231 HD12 LEU 34 2HD1 LEU 34 4.746 -10.047 5.856
232 HD13 LEU 34 3HD1 LEU 34 6.401 -10.047 6.462
233 HD21 LEU 34 3HD2 LEU 34 4.059 -6.885 7.242
234 HD22 LEU 34 1HD2 LEU 34 4.245 -8.493 7.942
235 HD23 LEU 34 2HD2 LEU 34 3.403 -8.293 6.405
236 H HIS 35 H HIS 35 6.965 -7.118 4.147
237 HA HIS 35 HA HIS 35 7.296 -9.735 3.152
238 HB2 HIS 35 1HB HIS 35 6.727 -7.101 1.798
239 HB3 HIS 35 2HB HIS 35 6.822 -8.617 0.907
240 HD1 HIS 35 HD1 HIS 35 5.228 -10.523 2.543
241 HD2 HIS 35 HD2 HIS 35 4.098 -6.555 2.053
242 HE1 HIS 35 HE1 HIS 35 2.755 -10.467 2.999
243 H ALA 36 H ALA 36 9.172 -6.767 2.685
244 HA ALA 36 HA ALA 36 11.081 -8.076 0.961
245 HB1 ALA 36 3HB ALA 36 10.552 -5.339 1.866
246 HB2 ALA 36 1HB ALA 36 12.259 -5.722 1.643
247 HB3 ALA 36 2HB ALA 36 11.126 -5.931 0.307
248 H GLY 37 H GLY 37 11.599 -9.789 2.538
249 HA2 GLY 37 1HA GLY 37 13.953 -9.030 4.063
250 HA3 GLY 37 2HA GLY 37 12.624 -9.683 5.009
251 H GLU 38 H GLU 38 13.705 -10.630 1.770
252 HA GLU 38 HA GLU 38 14.695 -13.164 2.845
253 HB2 GLU 38 1HB GLU 38 12.360 -12.814 1.025
254 HB3 GLU 38 2HB GLU 38 13.430 -14.179 0.739
255 HG2 GLU 38 1HG GLU 38 13.104 -14.782 3.168
256 HG3 GLU 38 2HG GLU 38 11.817 -13.578 3.197
257 H SER 39 H SER 39 16.548 -13.744 1.919
258 HA SER 39 HA SER 39 18.024 -12.217 0.218
259 HB2 SER 39 1HB SER 39 19.348 -14.250 -0.289
260 HB3 SER 39 2HB SER 39 18.973 -14.113 1.428
261 HG SER 39 HG SER 39 17.374 -15.657 1.176
262 H GLY 40 H GLY 40 18.059 -11.748 -1.893
263 HA2 GLY 40 1HA GLY 40 15.925 -12.456 -3.587
264 HA3 GLY 40 2HA GLY 40 17.414 -11.673 -4.094
265 HA PRO 41 HA PRO 41 17.317 -15.790 -6.153
266 HB2 PRO 41 1HB PRO 41 18.334 -14.880 -8.500
267 HB3 PRO 41 2HB PRO 41 16.611 -14.819 -8.111
268 HG2 PRO 41 1HG PRO 41 18.671 -12.654 -7.934
269 HG3 PRO 41 2HG PRO 41 17.009 -12.569 -8.547
270 HD2 PRO 41 1HD PRO 41 17.695 -11.710 -6.072
271 HD3 PRO 41 2HD PRO 41 16.104 -12.410 -6.433
272 H SER 42 H SER 42 19.007 -16.360 -4.633
273 HA SER 42 HA SER 42 21.182 -16.661 -3.925
274 HB2 SER 42 1HB SER 42 21.221 -17.443 -6.845
275 HB3 SER 42 2HB SER 42 22.539 -17.801 -5.730
276 HG SER 42 HG SER 42 20.129 -19.034 -6.023
277 H SER 43 H SER 43 20.937 -14.015 -4.159
278 HA SER 43 HA SER 43 23.168 -13.068 -5.810
279 HB2 SER 43 1HB SER 43 20.815 -11.966 -5.778
280 HB3 SER 43 2HB SER 43 21.332 -11.278 -4.239
281 HG SER 43 HG SER 43 21.987 -10.530 -6.745
282 H GLY 44 H GLY 44 25.061 -12.502 -4.944
283 HA2 GLY 44 1HA GLY 44 25.920 -11.156 -2.908
284 HA3 GLY 44 2HA GLY 44 25.277 -12.524 -2.011