Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504669 | 2eml RC | 10303 | 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 -5.739 -29.424 6.036
2 HA2 GLY 1 1HA GLY 1 -4.346 -29.156 7.900
3 HA3 GLY 1 2HA GLY 1 -3.548 -27.820 7.084
4 H SER 2 H SER 2 -3.745 -26.847 9.261
5 HA SER 2 HA SER 2 -6.262 -25.356 9.438
6 HB2 SER 2 1HB SER 2 -6.590 -27.029 11.102
7 HB3 SER 2 2HB SER 2 -4.935 -26.870 11.689
8 HG SER 2 HG SER 2 -5.474 -25.130 12.790
9 H SER 3 H SER 3 -5.960 -23.236 9.695
10 HA SER 3 HA SER 3 -3.275 -22.315 10.489
11 HB2 SER 3 1HB SER 3 -3.598 -21.675 8.227
12 HB3 SER 3 2HB SER 3 -5.261 -21.168 8.527
13 HG SER 3 HG SER 3 -3.951 -19.352 8.421
14 H GLY 4 H GLY 4 -6.693 -21.286 10.474
15 HA2 GLY 4 1HA GLY 4 -7.866 -20.611 12.426
16 HA3 GLY 4 2HA GLY 4 -6.325 -20.282 13.205
17 H SER 5 H SER 5 -7.639 -19.203 10.082
18 HA SER 5 HA SER 5 -8.240 -16.577 10.913
19 HB2 SER 5 1HB SER 5 -5.460 -17.102 9.986
20 HB3 SER 5 2HB SER 5 -6.246 -15.636 9.400
21 HG SER 5 HG SER 5 -6.787 -15.459 11.823
22 H SER 6 H SER 6 -9.744 -15.952 9.526
23 HA SER 6 HA SER 6 -9.603 -16.944 6.756
24 HB2 SER 6 1HB SER 6 -11.863 -16.513 8.645
25 HB3 SER 6 2HB SER 6 -12.164 -16.193 6.937
26 HG SER 6 HG SER 6 -11.459 -18.316 6.490
27 H GLY 7 H GLY 7 -8.126 -14.681 7.488
28 HA2 GLY 7 1HA GLY 7 -7.792 -12.466 6.959
29 HA3 GLY 7 2HA GLY 7 -8.687 -12.873 5.503
30 H THR 8 H THR 8 -8.903 -11.540 8.732
31 HA THR 8 HA THR 8 -11.640 -10.627 8.176
32 HB THR 8 HB THR 8 -10.181 -10.519 10.820
33 HG1 THR 8 HG1 THR 8 -11.561 -12.380 11.282
34 HG21 THR 8 3HG2 THR 8 -11.919 -9.207 11.345
35 HG22 THR 8 1HG2 THR 8 -12.899 -10.671 11.270
36 HG23 THR 8 2HG2 THR 8 -12.781 -9.615 9.862
37 H GLY 9 H GLY 9 -9.540 -9.353 6.814
38 HA2 GLY 9 1HA GLY 9 -9.906 -6.641 7.822
39 HA3 GLY 9 2HA GLY 9 -8.247 -7.207 7.692
40 H GLU 10 H GLU 10 -8.721 -8.794 5.309
41 HA GLU 10 HA GLU 10 -7.890 -7.257 3.297
42 HB2 GLU 10 1HB GLU 10 -8.815 -8.799 1.726
43 HB3 GLU 10 2HB GLU 10 -8.409 -9.711 3.172
44 HG2 GLU 10 1HG GLU 10 -10.747 -9.674 3.861
45 HG3 GLU 10 2HG GLU 10 -11.159 -8.747 2.420
46 H LYS 11 H LYS 11 -8.599 -5.697 1.947
47 HA LYS 11 HA LYS 11 -11.448 -5.009 1.948
48 HB2 LYS 11 1HB LYS 11 -9.176 -3.279 2.813
49 HB3 LYS 11 2HB LYS 11 -10.498 -2.531 1.927
50 HG2 LYS 11 1HG LYS 11 -10.994 -4.231 4.344
51 HG3 LYS 11 2HG LYS 11 -10.607 -2.514 4.475
52 HD2 LYS 11 1HD LYS 11 -12.529 -1.968 3.068
53 HD3 LYS 11 2HD LYS 11 -12.909 -3.685 2.911
54 HE2 LYS 11 1HE LYS 11 -14.341 -2.730 4.584
55 HE3 LYS 11 2HE LYS 11 -13.180 -3.793 5.377
56 HZ1 LYS 11 3HZ LYS 11 -12.181 -1.141 5.215
57 HZ2 LYS 11 1HZ LYS 11 -12.428 -2.109 6.581
58 HZ3 LYS 11 2HZ LYS 11 -13.690 -1.157 5.980
59 HA PRO 12 HA PRO 12 -10.987 -4.381 -2.370
60 HB2 PRO 12 1HB PRO 12 -12.628 -2.269 -2.833
61 HB3 PRO 12 2HB PRO 12 -13.229 -3.885 -2.442
62 HG2 PRO 12 1HG PRO 12 -12.894 -1.505 -0.657
63 HG3 PRO 12 2HG PRO 12 -14.241 -2.654 -0.748
64 HD2 PRO 12 1HD PRO 12 -12.329 -2.798 1.164
65 HD3 PRO 12 2HD PRO 12 -13.139 -4.237 0.515
66 H TYR 13 H TYR 13 -9.761 -2.197 -0.176
67 HA TYR 13 HA TYR 13 -8.320 -0.776 -2.301
68 HB2 TYR 13 1HB TYR 13 -9.330 0.606 0.186
69 HB3 TYR 13 2HB TYR 13 -8.559 1.344 -1.213
70 HD1 TYR 13 HD2 TYR 13 -9.797 1.402 -3.398
71 HD2 TYR 13 HD1 TYR 13 -11.666 0.234 0.242
72 HE1 TYR 13 HE2 TYR 13 -12.004 1.792 -4.412
73 HE2 TYR 13 HE1 TYR 13 -13.878 0.620 -0.763
74 HH TYR 13 HH TYR 13 -14.631 0.629 -3.602
75 H GLU 14 H GLU 14 -6.302 -1.495 -2.057
76 HA GLU 14 HA GLU 14 -5.045 -1.201 0.572
77 HB2 GLU 14 1HB GLU 14 -5.674 -3.571 0.350
78 HB3 GLU 14 2HB GLU 14 -4.780 -3.664 -1.161
79 HG2 GLU 14 1HG GLU 14 -2.776 -2.867 0.294
80 HG3 GLU 14 2HG GLU 14 -3.761 -3.456 1.632
81 H CYS 15 H CYS 15 -3.208 -0.100 0.433
82 HA CYS 15 HA CYS 15 -2.181 0.798 -2.044
83 HB2 CYS 15 1HB CYS 15 -2.009 1.792 0.400
84 HB3 CYS 15 2HB CYS 15 -0.507 0.873 0.430
85 H SER 16 H SER 16 -0.133 0.391 -2.997
86 HA SER 16 HA SER 16 0.914 -2.299 -2.402
87 HB2 SER 16 1HB SER 16 -0.222 -1.662 -4.708
88 HB3 SER 16 2HB SER 16 1.375 -0.996 -5.053
89 HG SER 16 HG SER 16 2.192 -3.118 -4.411
90 H VAL 17 H VAL 17 1.841 0.937 -3.536
91 HA VAL 17 HA VAL 17 4.550 0.737 -3.704
92 HB VAL 17 HB VAL 17 4.562 3.129 -2.670
93 HG11 VAL 17 1HG1 VAL 17 4.546 3.758 -4.804
94 HG12 VAL 17 2HG1 VAL 17 4.080 2.106 -5.211
95 HG13 VAL 17 3HG1 VAL 17 2.842 3.342 -4.982
96 HG21 VAL 17 3HG2 VAL 17 1.602 2.785 -3.126
97 HG22 VAL 17 1HG2 VAL 17 2.365 2.807 -1.536
98 HG23 VAL 17 2HG2 VAL 17 2.437 4.235 -2.569
99 H CYS 18 H CYS 18 2.647 1.101 -0.742
100 HA CYS 18 HA CYS 18 5.087 0.527 0.810
101 HB2 CYS 18 1HB CYS 18 4.220 1.806 2.620
102 HB3 CYS 18 2HB CYS 18 3.995 2.784 1.173
103 H GLY 19 H GLY 19 1.722 -0.259 0.268
104 HA2 GLY 19 1HA GLY 19 0.803 -2.403 0.603
105 HA3 GLY 19 2HA GLY 19 2.123 -2.772 1.703
106 H LYS 20 H LYS 20 -0.772 -0.738 1.402
107 HA LYS 20 HA LYS 20 -1.273 -1.200 4.263
108 HB2 LYS 20 1HB LYS 20 -0.384 1.149 3.633
109 HB3 LYS 20 2HB LYS 20 -1.980 1.405 2.940
110 HG2 LYS 20 1HG LYS 20 -3.033 1.299 5.007
111 HG3 LYS 20 2HG LYS 20 -1.672 0.470 5.766
112 HD2 LYS 20 1HD LYS 20 -1.453 3.275 4.703
113 HD3 LYS 20 2HD LYS 20 -2.002 2.931 6.345
114 HE2 LYS 20 1HE LYS 20 0.609 1.954 5.201
115 HE3 LYS 20 2HE LYS 20 0.441 3.439 6.136
116 HZ1 LYS 20 3HZ LYS 20 -0.776 1.345 7.549
117 HZ2 LYS 20 1HZ LYS 20 0.581 2.257 7.985
118 HZ3 LYS 20 2HZ LYS 20 0.770 0.836 7.087
119 H ALA 21 H ALA 21 -3.593 -0.692 4.844
120 HA ALA 21 HA ALA 21 -5.393 -1.382 2.615
121 HB1 ALA 21 3HB ALA 21 -4.793 -2.986 4.824
122 HB2 ALA 21 1HB ALA 21 -6.399 -2.328 5.138
123 HB3 ALA 21 2HB ALA 21 -6.087 -3.221 3.649
124 H PHE 22 H PHE 22 -7.564 -0.626 2.796
125 HA PHE 22 HA PHE 22 -8.191 1.273 4.898
126 HB2 PHE 22 1HB PHE 22 -8.232 2.169 2.013
127 HB3 PHE 22 2HB PHE 22 -8.589 3.143 3.435
128 HD1 PHE 22 HD1 PHE 22 -5.899 1.384 1.618
129 HD2 PHE 22 HD2 PHE 22 -6.874 4.215 4.644
130 HE1 PHE 22 HE1 PHE 22 -3.539 2.068 1.734
131 HE2 PHE 22 HE2 PHE 22 -4.515 4.904 4.764
132 HZ PHE 22 HZ PHE 22 -2.844 3.831 3.308
133 H SER 23 H SER 23 -10.444 2.242 4.469
134 HA SER 23 HA SER 23 -12.182 0.023 3.706
135 HB2 SER 23 1HB SER 23 -13.910 1.820 4.693
136 HB3 SER 23 2HB SER 23 -12.979 0.739 5.729
137 HG SER 23 HG SER 23 -12.661 3.475 5.257
138 H HIS 24 H HIS 24 -11.897 3.522 3.114
139 HA HIS 24 HA HIS 24 -13.518 3.168 0.683
140 HB2 HIS 24 1HB HIS 24 -13.988 4.909 2.681
141 HB3 HIS 24 2HB HIS 24 -12.926 5.898 1.684
142 HD1 HIS 24 HD1 HIS 24 -13.939 6.974 -0.341
143 HD2 HIS 24 HD2 HIS 24 -16.396 4.061 1.312
144 HE1 HIS 24 HE1 HIS 24 -16.124 7.161 -1.571
145 H ARG 25 H ARG 25 -12.869 4.242 -1.251
146 HA ARG 25 HA ARG 25 -10.129 3.992 -1.838
147 HB2 ARG 25 1HB ARG 25 -12.221 3.959 -3.401
148 HB3 ARG 25 2HB ARG 25 -11.961 5.696 -3.490
149 HG2 ARG 25 1HG ARG 25 -9.860 5.439 -4.509
150 HG3 ARG 25 2HG ARG 25 -9.783 3.725 -4.095
151 HD2 ARG 25 1HD ARG 25 -11.813 3.413 -5.571
152 HD3 ARG 25 2HD ARG 25 -11.552 5.066 -6.126
153 HE ARG 25 HE ARG 25 -10.107 2.750 -6.926
154 HH11 ARG 25 1HH1 ARG 25 -9.786 6.165 -6.330
155 HH12 ARG 25 2HH1 ARG 25 -8.456 6.364 -7.422
156 HH21 ARG 25 1HH2 ARG 25 -8.356 2.999 -8.368
157 HH22 ARG 25 2HH2 ARG 25 -7.644 4.562 -8.582
158 H GLN 26 H GLN 26 -12.156 6.870 -1.347
159 HA GLN 26 HA GLN 26 -10.317 8.851 -1.862
160 HB2 GLN 26 1HB GLN 26 -11.694 10.318 -0.649
161 HB3 GLN 26 2HB GLN 26 -12.787 9.067 -1.224
162 HG2 GLN 26 1HG GLN 26 -12.419 7.958 1.048
163 HG3 GLN 26 2HG GLN 26 -11.733 9.504 1.544
164 HE21 GLN 26 1HE2 GLN 26 -13.275 10.128 2.958
165 HE22 GLN 26 2HE2 GLN 26 -14.916 10.452 2.525
166 H SER 27 H SER 27 -10.646 6.857 1.010
167 HA SER 27 HA SER 27 -8.819 8.335 2.616
168 HB2 SER 27 1HB SER 27 -10.110 5.640 2.799
169 HB3 SER 27 2HB SER 27 -8.752 6.012 3.860
170 HG SER 27 HG SER 27 -9.967 7.923 4.477
171 H LEU 28 H LEU 28 -8.493 5.822 0.234
172 HA LEU 28 HA LEU 28 -5.814 5.092 0.953
173 HB2 LEU 28 1HB LEU 28 -7.041 3.418 -0.132
174 HB3 LEU 28 2HB LEU 28 -7.592 4.519 -1.393
175 HG LEU 28 HG LEU 28 -5.298 4.569 -2.307
176 HD11 LEU 28 1HD1 LEU 28 -4.774 3.020 0.130
177 HD12 LEU 28 2HD1 LEU 28 -3.700 4.045 -0.821
178 HD13 LEU 28 3HD1 LEU 28 -4.020 2.388 -1.334
179 HD21 LEU 28 3HD2 LEU 28 -5.860 2.863 -3.622
180 HD22 LEU 28 1HD2 LEU 28 -7.212 2.576 -2.527
181 HD23 LEU 28 2HD2 LEU 28 -5.697 1.700 -2.305
182 H SER 29 H SER 29 -7.314 7.287 -1.349
183 HA SER 29 HA SER 29 -5.023 7.900 -2.861
184 HB2 SER 29 1HB SER 29 -6.414 10.178 -3.097
185 HB3 SER 29 2HB SER 29 -6.887 8.696 -3.927
186 HG SER 29 HG SER 29 -8.063 9.983 -1.763
187 H VAL 30 H VAL 30 -6.562 9.867 -0.310
188 HA VAL 30 HA VAL 30 -4.639 11.809 -0.042
189 HB VAL 30 HB VAL 30 -6.350 10.562 2.109
190 HG11 VAL 30 1HG1 VAL 30 -4.364 11.670 3.067
191 HG12 VAL 30 2HG1 VAL 30 -4.816 13.156 2.231
192 HG13 VAL 30 3HG1 VAL 30 -5.867 12.493 3.482
193 HG21 VAL 30 3HG2 VAL 30 -7.138 13.190 1.513
194 HG22 VAL 30 1HG2 VAL 30 -6.859 12.397 -0.038
195 HG23 VAL 30 2HG2 VAL 30 -7.988 11.695 1.121
196 H HIS 31 H HIS 31 -4.556 8.511 1.083
197 HA HIS 31 HA HIS 31 -2.364 8.838 2.881
198 HB2 HIS 31 1HB HIS 31 -3.518 6.924 3.404
199 HB3 HIS 31 2HB HIS 31 -3.859 6.540 1.719
200 HD1 HIS 31 HD1 HIS 31 -1.188 6.187 4.337
201 HD2 HIS 31 HD2 HIS 31 -2.015 4.881 0.480
202 HE1 HIS 31 HE1 HIS 31 0.512 4.398 3.854
203 H GLN 32 H GLN 32 -2.633 7.485 -0.403
204 HA GLN 32 HA GLN 32 -0.032 6.787 -0.876
205 HB2 GLN 32 1HB GLN 32 -2.077 8.004 -2.723
206 HB3 GLN 32 2HB GLN 32 -0.506 7.457 -3.294
207 HG2 GLN 32 1HG GLN 32 -1.079 5.210 -2.275
208 HG3 GLN 32 2HG GLN 32 -2.723 5.823 -2.106
209 HE21 GLN 32 1HE2 GLN 32 -2.216 3.599 -3.605
210 HE22 GLN 32 2HE2 GLN 32 -2.466 3.950 -5.278
211 H ARG 33 H ARG 33 -1.309 9.955 -0.455
212 HA ARG 33 HA ARG 33 0.522 11.524 -1.836
213 HB2 ARG 33 1HB ARG 33 -0.813 12.088 0.818
214 HB3 ARG 33 2HB ARG 33 -0.011 13.290 -0.184
215 HG2 ARG 33 1HG ARG 33 -1.631 12.929 -1.955
216 HG3 ARG 33 2HG ARG 33 -2.417 11.672 -0.996
217 HD2 ARG 33 1HD ARG 33 -3.748 13.519 -0.581
218 HD3 ARG 33 2HD ARG 33 -2.645 13.529 0.795
219 HE ARG 33 HE ARG 33 -1.738 15.119 -1.419
220 HH11 ARG 33 1HH1 ARG 33 -3.715 15.069 1.446
221 HH12 ARG 33 2HH1 ARG 33 -3.647 16.784 1.681
222 HH21 ARG 33 1HH2 ARG 33 -1.641 17.378 -1.120
223 HH22 ARG 33 2HH2 ARG 33 -2.468 18.097 0.220
224 H ILE 34 H ILE 34 0.755 10.086 1.386
225 HA ILE 34 HA ILE 34 3.035 11.284 2.345
226 HB ILE 34 HB ILE 34 3.341 9.442 3.786
227 HG12 ILE 34 1HG1 ILE 34 1.741 7.768 1.838
228 HG13 ILE 34 2HG1 ILE 34 3.490 7.709 2.029
229 HG21 ILE 34 1HG2 ILE 34 0.593 8.761 3.729
230 HG22 ILE 34 2HG2 ILE 34 1.418 9.902 4.789
231 HG23 ILE 34 3HG2 ILE 34 0.738 10.455 3.259
232 HD11 ILE 34 3HD1 ILE 34 2.430 7.327 4.588
233 HD12 ILE 34 1HD1 ILE 34 1.453 6.342 3.500
234 HD13 ILE 34 2HD1 ILE 34 3.203 6.131 3.547
235 H HIS 35 H HIS 35 2.731 9.139 -0.321
236 HA HIS 35 HA HIS 35 5.567 8.477 -0.357
237 HB2 HIS 35 1HB HIS 35 3.553 7.780 -2.487
238 HB3 HIS 35 2HB HIS 35 5.067 6.964 -2.108
239 HD1 HIS 35 HD1 HIS 35 4.842 6.323 0.788
240 HD2 HIS 35 HD2 HIS 35 1.594 6.063 -1.789
241 HE1 HIS 35 HE1 HIS 35 3.233 4.737 1.893
242 H SER 36 H SER 36 4.632 11.253 -0.688
243 HA SER 36 HA SER 36 5.157 11.866 -3.476
244 HB2 SER 36 1HB SER 36 3.430 13.135 -2.271
245 HB3 SER 36 2HB SER 36 4.642 13.705 -1.125
246 HG SER 36 HG SER 36 5.707 14.702 -2.920
247 H GLY 37 H GLY 37 7.123 12.213 -4.259
248 HA2 GLY 37 1HA GLY 37 9.448 12.306 -4.215
249 HA3 GLY 37 2HA GLY 37 9.078 13.867 -3.497
250 H LYS 38 H LYS 38 8.791 10.555 -2.230
251 HA LYS 38 HA LYS 38 10.728 11.273 -0.136
252 HB2 LYS 38 1HB LYS 38 7.957 10.187 0.165
253 HB3 LYS 38 2HB LYS 38 9.190 9.711 1.326
254 HG2 LYS 38 1HG LYS 38 8.583 12.583 0.689
255 HG3 LYS 38 2HG LYS 38 7.751 11.683 1.959
256 HD2 LYS 38 1HD LYS 38 9.747 11.385 3.189
257 HD3 LYS 38 2HD LYS 38 10.749 11.894 1.828
258 HE2 LYS 38 1HE LYS 38 9.364 14.119 2.077
259 HE3 LYS 38 2HE LYS 38 9.129 13.529 3.721
260 HZ1 LYS 38 3HZ LYS 38 11.496 13.442 4.028
261 HZ2 LYS 38 1HZ LYS 38 11.072 14.991 3.494
262 HZ3 LYS 38 2HZ LYS 38 11.774 13.888 2.420
263 H LYS 39 H LYS 39 11.349 9.858 -2.454
264 HA LYS 39 HA LYS 39 11.919 7.198 -1.334
265 HB2 LYS 39 1HB LYS 39 11.321 7.731 -4.247
266 HB3 LYS 39 2HB LYS 39 11.599 6.167 -3.491
267 HG2 LYS 39 1HG LYS 39 9.366 7.818 -2.453
268 HG3 LYS 39 2HG LYS 39 9.170 7.061 -4.035
269 HD2 LYS 39 1HD LYS 39 8.382 5.370 -2.726
270 HD3 LYS 39 2HD LYS 39 10.097 4.951 -2.717
271 HE2 LYS 39 1HE LYS 39 9.266 4.835 -0.468
272 HE3 LYS 39 2HE LYS 39 10.339 6.228 -0.600
273 HZ1 LYS 39 3HZ LYS 39 7.371 6.321 -0.682
274 HZ2 LYS 39 1HZ LYS 39 8.402 7.656 -0.805
275 HZ3 LYS 39 2HZ LYS 39 8.336 6.769 0.633
276 HA PRO 40 HA PRO 40 15.836 9.354 -2.535
277 HB2 PRO 40 1HB PRO 40 17.200 8.592 -0.315
278 HB3 PRO 40 2HB PRO 40 16.185 10.038 -0.369
279 HG2 PRO 40 1HG PRO 40 15.558 7.323 0.726
280 HG3 PRO 40 2HG PRO 40 15.200 8.918 1.415
281 HD2 PRO 40 1HD PRO 40 13.343 7.448 0.101
282 HD3 PRO 40 2HD PRO 40 13.353 9.223 0.070
283 H SER 41 H SER 41 17.437 8.390 -3.652
284 HA SER 41 HA SER 41 17.375 5.746 -4.405
285 HB2 SER 41 1HB SER 41 18.676 7.563 -5.534
286 HB3 SER 41 2HB SER 41 19.882 7.436 -4.254
287 HG SER 41 HG SER 41 20.367 5.382 -4.922
288 H GLY 42 H GLY 42 19.522 7.201 -1.957
289 HA2 GLY 42 1HA GLY 42 19.712 4.538 -0.703
290 HA3 GLY 42 2HA GLY 42 21.157 5.499 -0.978
291 HA PRO 43 HA PRO 43 18.744 6.621 3.043
292 HB2 PRO 43 1HB PRO 43 19.783 4.845 4.813
293 HB3 PRO 43 2HB PRO 43 18.294 4.542 3.911
294 HG2 PRO 43 1HG PRO 43 21.072 3.569 3.364
295 HG3 PRO 43 2HG PRO 43 19.538 2.683 3.276
296 HD2 PRO 43 1HD PRO 43 20.784 3.659 1.079
297 HD3 PRO 43 2HD PRO 43 19.017 3.539 1.201
298 H SER 44 H SER 44 22.029 5.235 2.924
299 HA SER 44 HA SER 44 23.013 7.702 4.201
300 HB2 SER 44 1HB SER 44 24.854 6.266 5.154
301 HB3 SER 44 2HB SER 44 23.249 5.929 5.803
302 HG SER 44 HG SER 44 24.917 4.255 4.593
303 H SER 45 H SER 45 23.628 8.757 2.353
304 HA SER 45 HA SER 45 25.893 7.566 0.911
305 HB2 SER 45 1HB SER 45 23.599 9.049 -0.395
306 HB3 SER 45 2HB SER 45 25.038 8.447 -1.217
307 HG SER 45 HG SER 45 22.827 7.153 -0.875
308 H GLY 46 H GLY 46 27.206 9.190 -0.251
309 HA2 GLY 46 1HA GLY 46 28.407 11.146 -0.301
310 HA3 GLY 46 2HA GLY 46 26.923 11.961 0.170
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -20.745 -23.497 3.966
2 HA2 GLY 1 1HA GLY 1 -18.785 -23.295 5.213
3 HA3 GLY 1 2HA GLY 1 -17.892 -23.034 3.722
4 H SER 2 H SER 2 -17.637 -20.958 2.921
5 HA SER 2 HA SER 2 -18.422 -18.817 4.787
6 HB2 SER 2 1HB SER 2 -16.024 -19.048 4.744
7 HB3 SER 2 2HB SER 2 -16.005 -19.047 2.981
8 HG SER 2 HG SER 2 -15.470 -17.002 4.059
9 H SER 3 H SER 3 -19.436 -17.026 4.027
10 HA SER 3 HA SER 3 -20.371 -17.144 1.259
11 HB2 SER 3 1HB SER 3 -21.966 -16.888 3.228
12 HB3 SER 3 2HB SER 3 -21.327 -15.254 3.413
13 HG SER 3 HG SER 3 -23.290 -15.848 1.932
14 H GLY 4 H GLY 4 -20.486 -15.158 -0.011
15 HA2 GLY 4 1HA GLY 4 -18.103 -13.925 -0.464
16 HA3 GLY 4 2HA GLY 4 -19.647 -13.173 -0.836
17 H SER 5 H SER 5 -20.673 -11.900 0.871
18 HA SER 5 HA SER 5 -18.754 -10.848 2.837
19 HB2 SER 5 1HB SER 5 -19.345 -8.588 2.339
20 HB3 SER 5 2HB SER 5 -18.991 -9.361 0.795
21 HG SER 5 HG SER 5 -20.884 -8.294 0.499
22 H SER 6 H SER 6 -19.617 -10.139 4.781
23 HA SER 6 HA SER 6 -22.389 -10.988 5.268
24 HB2 SER 6 1HB SER 6 -20.724 -12.161 6.619
25 HB3 SER 6 2HB SER 6 -20.092 -10.624 7.208
26 HG SER 6 HG SER 6 -22.086 -12.058 8.201
27 H GLY 7 H GLY 7 -20.075 -8.486 6.332
28 HA2 GLY 7 1HA GLY 7 -22.102 -6.443 6.048
29 HA3 GLY 7 2HA GLY 7 -21.655 -6.782 7.713
30 H THR 8 H THR 8 -21.280 -4.275 6.741
31 HA THR 8 HA THR 8 -19.073 -3.466 5.446
32 HB THR 8 HB THR 8 -20.552 -1.863 6.506
33 HG1 THR 8 HG1 THR 8 -18.828 -0.653 6.300
34 HG21 THR 8 3HG2 THR 8 -20.216 -3.423 8.783
35 HG22 THR 8 1HG2 THR 8 -21.099 -1.901 8.672
36 HG23 THR 8 2HG2 THR 8 -19.406 -1.905 9.167
37 H GLY 9 H GLY 9 -16.978 -3.935 5.505
38 HA2 GLY 9 1HA GLY 9 -15.311 -3.838 7.703
39 HA3 GLY 9 2HA GLY 9 -15.845 -5.508 7.596
40 H GLU 10 H GLU 10 -15.937 -5.876 4.861
41 HA GLU 10 HA GLU 10 -13.375 -6.624 4.217
42 HB2 GLU 10 1HB GLU 10 -15.550 -7.235 3.039
43 HB3 GLU 10 2HB GLU 10 -15.374 -5.731 2.145
44 HG2 GLU 10 1HG GLU 10 -13.624 -6.500 0.913
45 HG3 GLU 10 2HG GLU 10 -13.071 -7.597 2.177
46 H LYS 11 H LYS 11 -11.837 -5.801 2.676
47 HA LYS 11 HA LYS 11 -11.940 -2.895 2.259
48 HB2 LYS 11 1HB LYS 11 -9.688 -4.476 3.492
49 HB3 LYS 11 2HB LYS 11 -9.436 -2.892 2.771
50 HG2 LYS 11 1HG LYS 11 -10.830 -1.841 4.370
51 HG3 LYS 11 2HG LYS 11 -11.431 -3.391 4.963
52 HD2 LYS 11 1HD LYS 11 -8.517 -2.685 5.100
53 HD3 LYS 11 2HD LYS 11 -9.648 -2.174 6.355
54 HE2 LYS 11 1HE LYS 11 -10.216 -4.445 6.855
55 HE3 LYS 11 2HE LYS 11 -9.301 -5.033 5.468
56 HZ1 LYS 11 3HZ LYS 11 -7.353 -4.836 6.555
57 HZ2 LYS 11 1HZ LYS 11 -8.329 -4.981 7.930
58 HZ3 LYS 11 2HZ LYS 11 -7.822 -3.453 7.410
59 HA PRO 12 HA PRO 12 -10.946 -4.977 -1.703
60 HB2 PRO 12 1HB PRO 12 -12.246 -3.145 -3.227
61 HB3 PRO 12 2HB PRO 12 -13.065 -4.511 -2.460
62 HG2 PRO 12 1HG PRO 12 -12.897 -1.658 -1.567
63 HG3 PRO 12 2HG PRO 12 -14.295 -2.749 -1.571
64 HD2 PRO 12 1HD PRO 12 -12.857 -2.231 0.664
65 HD3 PRO 12 2HD PRO 12 -13.640 -3.797 0.375
66 H TYR 13 H TYR 13 -10.148 -2.044 -0.234
67 HA TYR 13 HA TYR 13 -8.356 -1.297 -2.446
68 HB2 TYR 13 1HB TYR 13 -9.065 0.477 -0.118
69 HB3 TYR 13 2HB TYR 13 -8.401 0.939 -1.681
70 HD1 TYR 13 HD2 TYR 13 -10.062 -0.104 -3.679
71 HD2 TYR 13 HD1 TYR 13 -11.209 1.248 0.189
72 HE1 TYR 13 HE2 TYR 13 -12.332 0.343 -4.514
73 HE2 TYR 13 HE1 TYR 13 -13.482 1.698 -0.636
74 HH TYR 13 HH TYR 13 -14.414 2.237 -3.261
75 H GLU 14 H GLU 14 -6.224 -1.475 -2.182
76 HA GLU 14 HA GLU 14 -5.040 -1.404 0.468
77 HB2 GLU 14 1HB GLU 14 -5.641 -3.774 0.174
78 HB3 GLU 14 2HB GLU 14 -4.729 -3.817 -1.328
79 HG2 GLU 14 1HG GLU 14 -2.710 -3.144 0.056
80 HG3 GLU 14 2HG GLU 14 -3.692 -3.524 1.470
81 H CYS 15 H CYS 15 -3.435 -0.005 0.255
82 HA CYS 15 HA CYS 15 -2.328 0.886 -2.128
83 HB2 CYS 15 1HB CYS 15 -2.170 1.774 0.364
84 HB3 CYS 15 2HB CYS 15 -0.641 0.900 0.336
85 H SER 16 H SER 16 -0.255 0.570 -3.079
86 HA SER 16 HA SER 16 0.855 -2.115 -2.582
87 HB2 SER 16 1HB SER 16 1.526 -2.115 -4.973
88 HB3 SER 16 2HB SER 16 -0.221 -1.995 -4.764
89 HG SER 16 HG SER 16 -0.143 -0.184 -5.804
90 H VAL 17 H VAL 17 1.672 1.173 -3.647
91 HA VAL 17 HA VAL 17 4.381 1.058 -3.864
92 HB VAL 17 HB VAL 17 4.413 3.413 -2.894
93 HG11 VAL 17 1HG1 VAL 17 4.039 2.713 -5.324
94 HG12 VAL 17 2HG1 VAL 17 2.335 3.068 -5.033
95 HG13 VAL 17 3HG1 VAL 17 3.544 4.341 -4.861
96 HG21 VAL 17 3HG2 VAL 17 2.514 3.196 -1.392
97 HG22 VAL 17 1HG2 VAL 17 2.221 4.475 -2.570
98 HG23 VAL 17 2HG2 VAL 17 1.441 2.905 -2.761
99 H CYS 18 H CYS 18 2.518 1.253 -0.864
100 HA CYS 18 HA CYS 18 5.002 0.721 0.630
101 HB2 CYS 18 1HB CYS 18 4.093 1.889 2.510
102 HB3 CYS 18 2HB CYS 18 3.878 2.924 1.102
103 H GLY 19 H GLY 19 1.601 -0.086 0.235
104 HA2 GLY 19 1HA GLY 19 0.784 -2.303 0.474
105 HA3 GLY 19 2HA GLY 19 2.128 -2.653 1.550
106 H LYS 20 H LYS 20 -0.835 -0.708 1.328
107 HA LYS 20 HA LYS 20 -1.302 -1.270 4.176
108 HB2 LYS 20 1HB LYS 20 -0.475 1.142 3.528
109 HB3 LYS 20 2HB LYS 20 -2.145 1.358 3.020
110 HG2 LYS 20 1HG LYS 20 -2.966 1.142 5.175
111 HG3 LYS 20 2HG LYS 20 -1.518 0.312 5.749
112 HD2 LYS 20 1HD LYS 20 -0.246 2.337 5.673
113 HD3 LYS 20 2HD LYS 20 -1.558 3.192 4.858
114 HE2 LYS 20 1HE LYS 20 -1.861 3.906 7.016
115 HE3 LYS 20 2HE LYS 20 -2.915 2.493 6.991
116 HZ1 LYS 20 3HZ LYS 20 -1.684 2.269 8.935
117 HZ2 LYS 20 1HZ LYS 20 -0.239 2.768 8.211
118 HZ3 LYS 20 2HZ LYS 20 -0.883 1.247 7.851
119 H ALA 21 H ALA 21 -3.655 -0.675 4.755
120 HA ALA 21 HA ALA 21 -5.449 -1.343 2.521
121 HB1 ALA 21 3HB ALA 21 -6.541 -2.469 4.868
122 HB2 ALA 21 1HB ALA 21 -5.944 -3.302 3.432
123 HB3 ALA 21 2HB ALA 21 -4.855 -2.978 4.781
124 H PHE 22 H PHE 22 -7.494 -0.435 2.587
125 HA PHE 22 HA PHE 22 -8.183 1.271 4.857
126 HB2 PHE 22 1HB PHE 22 -8.175 2.307 2.016
127 HB3 PHE 22 2HB PHE 22 -8.611 3.207 3.464
128 HD1 PHE 22 HD1 PHE 22 -5.819 1.628 1.648
129 HD2 PHE 22 HD2 PHE 22 -6.964 4.224 4.821
130 HE1 PHE 22 HE1 PHE 22 -3.482 2.358 1.890
131 HE2 PHE 22 HE2 PHE 22 -4.629 4.959 5.067
132 HZ PHE 22 HZ PHE 22 -2.884 4.027 3.600
133 H SER 23 H SER 23 -10.437 2.241 4.503
134 HA SER 23 HA SER 23 -12.172 0.069 3.629
135 HB2 SER 23 1HB SER 23 -13.903 1.833 4.667
136 HB3 SER 23 2HB SER 23 -12.979 0.716 5.671
137 HG SER 23 HG SER 23 -12.022 2.367 6.528
138 H HIS 24 H HIS 24 -11.860 3.580 3.147
139 HA HIS 24 HA HIS 24 -13.476 3.314 0.702
140 HB2 HIS 24 1HB HIS 24 -13.953 4.989 2.754
141 HB3 HIS 24 2HB HIS 24 -12.882 6.008 1.795
142 HD1 HIS 24 HD1 HIS 24 -13.884 7.158 -0.193
143 HD2 HIS 24 HD2 HIS 24 -16.353 4.189 1.339
144 HE1 HIS 24 HE1 HIS 24 -16.061 7.390 -1.429
145 H ARG 25 H ARG 25 -12.819 4.481 -1.186
146 HA ARG 25 HA ARG 25 -10.087 4.220 -1.789
147 HB2 ARG 25 1HB ARG 25 -12.467 5.366 -3.159
148 HB3 ARG 25 2HB ARG 25 -10.883 5.830 -3.765
149 HG2 ARG 25 1HG ARG 25 -10.311 3.483 -4.095
150 HG3 ARG 25 2HG ARG 25 -11.890 3.008 -3.466
151 HD2 ARG 25 1HD ARG 25 -12.991 4.159 -5.298
152 HD3 ARG 25 2HD ARG 25 -11.435 4.723 -5.904
153 HE ARG 25 HE ARG 25 -11.574 1.873 -5.701
154 HH11 ARG 25 1HH1 ARG 25 -12.400 4.611 -7.686
155 HH12 ARG 25 2HH1 ARG 25 -12.422 3.700 -9.160
156 HH21 ARG 25 1HH2 ARG 25 -11.600 0.664 -7.635
157 HH22 ARG 25 2HH2 ARG 25 -11.967 1.455 -9.130
158 H GLN 26 H GLN 26 -12.060 7.112 -1.163
159 HA GLN 26 HA GLN 26 -10.303 9.128 -1.595
160 HB2 GLN 26 1HB GLN 26 -12.428 8.719 0.455
161 HB3 GLN 26 2HB GLN 26 -11.371 10.114 0.625
162 HG2 GLN 26 1HG GLN 26 -12.195 11.145 -1.230
163 HG3 GLN 26 2HG GLN 26 -12.618 9.628 -2.022
164 HE21 GLN 26 1HE2 GLN 26 -14.691 9.167 -2.119
165 HE22 GLN 26 2HE2 GLN 26 -15.924 9.792 -1.084
166 H SER 27 H SER 27 -10.431 7.100 1.313
167 HA SER 27 HA SER 27 -8.399 8.393 2.745
168 HB2 SER 27 1HB SER 27 -9.642 5.677 2.839
169 HB3 SER 27 2HB SER 27 -8.157 5.952 3.748
170 HG SER 27 HG SER 27 -9.317 6.939 5.178
171 H LEU 28 H LEU 28 -8.243 5.546 0.617
172 HA LEU 28 HA LEU 28 -5.494 5.080 0.848
173 HB2 LEU 28 1HB LEU 28 -6.834 3.391 -0.108
174 HB3 LEU 28 2HB LEU 28 -7.479 4.487 -1.328
175 HG LEU 28 HG LEU 28 -5.273 4.533 -2.422
176 HD11 LEU 28 1HD1 LEU 28 -3.430 3.417 -1.670
177 HD12 LEU 28 2HD1 LEU 28 -4.375 2.221 -0.784
178 HD13 LEU 28 3HD1 LEU 28 -4.172 3.845 -0.128
179 HD21 LEU 28 3HD2 LEU 28 -5.296 2.106 -3.146
180 HD22 LEU 28 1HD2 LEU 28 -6.811 2.992 -3.327
181 HD23 LEU 28 2HD2 LEU 28 -6.600 1.871 -1.981
182 H SER 29 H SER 29 -7.296 6.991 -1.547
183 HA SER 29 HA SER 29 -5.156 7.765 -3.145
184 HB2 SER 29 1HB SER 29 -7.627 8.141 -3.586
185 HB3 SER 29 2HB SER 29 -7.524 9.529 -2.503
186 HG SER 29 HG SER 29 -6.799 10.596 -4.147
187 H VAL 30 H VAL 30 -6.637 9.621 -0.482
188 HA VAL 30 HA VAL 30 -4.764 11.696 -0.450
189 HB VAL 30 HB VAL 30 -6.381 10.619 1.865
190 HG11 VAL 30 1HG1 VAL 30 -6.090 12.867 2.823
191 HG12 VAL 30 2HG1 VAL 30 -4.556 12.014 2.642
192 HG13 VAL 30 3HG1 VAL 30 -5.005 13.278 1.496
193 HG21 VAL 30 3HG2 VAL 30 -7.316 11.698 -0.476
194 HG22 VAL 30 1HG2 VAL 30 -8.176 11.689 1.064
195 HG23 VAL 30 2HG2 VAL 30 -7.235 13.102 0.588
196 H HIS 31 H HIS 31 -4.739 8.538 1.086
197 HA HIS 31 HA HIS 31 -2.582 8.978 2.846
198 HB2 HIS 31 1HB HIS 31 -3.702 7.047 3.391
199 HB3 HIS 31 2HB HIS 31 -3.946 6.585 1.709
200 HD1 HIS 31 HD1 HIS 31 -1.242 6.606 4.356
201 HD2 HIS 31 HD2 HIS 31 -2.141 4.774 0.737
202 HE1 HIS 31 HE1 HIS 31 0.501 4.818 4.056
203 H GLN 32 H GLN 32 -2.673 7.509 -0.397
204 HA GLN 32 HA GLN 32 -0.065 6.838 -0.770
205 HB2 GLN 32 1HB GLN 32 -2.045 8.052 -2.683
206 HB3 GLN 32 2HB GLN 32 -0.436 7.573 -3.207
207 HG2 GLN 32 1HG GLN 32 -0.867 5.287 -2.551
208 HG3 GLN 32 2HG GLN 32 -2.448 5.742 -1.920
209 HE21 GLN 32 1HE2 GLN 32 -1.897 3.782 -3.922
210 HE22 GLN 32 2HE2 GLN 32 -2.687 4.293 -5.371
211 H ARG 33 H ARG 33 -1.350 10.019 -0.415
212 HA ARG 33 HA ARG 33 0.564 11.576 -1.688
213 HB2 ARG 33 1HB ARG 33 -0.963 12.115 0.863
214 HB3 ARG 33 2HB ARG 33 -0.027 13.327 -0.001
215 HG2 ARG 33 1HG ARG 33 -1.477 12.895 -1.996
216 HG3 ARG 33 2HG ARG 33 -2.486 11.886 -0.957
217 HD2 ARG 33 1HD ARG 33 -2.604 13.941 0.579
218 HD3 ARG 33 2HD ARG 33 -1.997 14.843 -0.809
219 HE ARG 33 HE ARG 33 -4.639 13.746 -0.467
220 HH11 ARG 33 1HH1 ARG 33 -2.260 14.879 -2.742
221 HH12 ARG 33 2HH1 ARG 33 -3.422 15.246 -3.973
222 HH21 ARG 33 1HH2 ARG 33 -6.179 14.226 -2.080
223 HH22 ARG 33 2HH2 ARG 33 -5.651 14.875 -3.595
224 H ILE 34 H ILE 34 0.600 10.181 1.567
225 HA ILE 34 HA ILE 34 2.812 11.341 2.667
226 HB ILE 34 HB ILE 34 3.098 9.422 4.042
227 HG12 ILE 34 1HG1 ILE 34 1.497 7.867 1.997
228 HG13 ILE 34 2HG1 ILE 34 3.240 7.755 2.220
229 HG21 ILE 34 1HG2 ILE 34 0.490 10.462 3.444
230 HG22 ILE 34 2HG2 ILE 34 0.370 8.788 3.983
231 HG23 ILE 34 3HG2 ILE 34 1.174 9.985 4.998
232 HD11 ILE 34 3HD1 ILE 34 2.285 5.895 3.308
233 HD12 ILE 34 1HD1 ILE 34 2.776 7.018 4.576
234 HD13 ILE 34 2HD1 ILE 34 1.078 6.896 4.115
235 H HIS 35 H HIS 35 2.702 9.207 -0.040
236 HA HIS 35 HA HIS 35 5.523 8.554 0.068
237 HB2 HIS 35 1HB HIS 35 3.673 8.060 -2.258
238 HB3 HIS 35 2HB HIS 35 5.140 7.186 -1.828
239 HD1 HIS 35 HD1 HIS 35 4.723 6.272 0.941
240 HD2 HIS 35 HD2 HIS 35 1.598 6.407 -1.793
241 HE1 HIS 35 HE1 HIS 35 2.998 4.663 1.812
242 H SER 36 H SER 36 4.731 11.364 -0.105
243 HA SER 36 HA SER 36 5.679 12.096 -2.783
244 HB2 SER 36 1HB SER 36 3.573 13.138 -1.916
245 HB3 SER 36 2HB SER 36 4.528 13.903 -0.646
246 HG SER 36 HG SER 36 5.172 14.222 -3.376
247 H GLY 37 H GLY 37 7.689 12.800 -3.095
248 HA2 GLY 37 1HA GLY 37 9.206 14.551 -1.728
249 HA3 GLY 37 2HA GLY 37 9.460 13.070 -0.815
250 H LYS 38 H LYS 38 11.194 11.955 -1.375
251 HA LYS 38 HA LYS 38 12.828 12.605 -3.555
252 HB2 LYS 38 1HB LYS 38 13.439 11.358 -1.401
253 HB3 LYS 38 2HB LYS 38 12.825 9.915 -2.198
254 HG2 LYS 38 1HG LYS 38 14.456 10.488 -4.083
255 HG3 LYS 38 2HG LYS 38 15.202 11.589 -2.922
256 HD2 LYS 38 1HD LYS 38 14.714 8.681 -2.321
257 HD3 LYS 38 2HD LYS 38 16.200 9.260 -3.078
258 HE2 LYS 38 1HE LYS 38 16.743 10.586 -1.179
259 HE3 LYS 38 2HE LYS 38 15.150 10.332 -0.467
260 HZ1 LYS 38 3HZ LYS 38 15.741 8.341 0.346
261 HZ2 LYS 38 1HZ LYS 38 17.323 8.919 0.178
262 HZ3 LYS 38 2HZ LYS 38 16.657 7.920 -1.013
263 H LYS 39 H LYS 39 13.322 11.436 -5.465
264 HA LYS 39 HA LYS 39 11.418 9.396 -6.321
265 HB2 LYS 39 1HB LYS 39 11.753 12.094 -7.583
266 HB3 LYS 39 2HB LYS 39 11.328 10.709 -8.580
267 HG2 LYS 39 1HG LYS 39 9.335 10.332 -7.246
268 HG3 LYS 39 2HG LYS 39 9.771 11.678 -6.190
269 HD2 LYS 39 1HD LYS 39 9.559 12.186 -9.115
270 HD3 LYS 39 2HD LYS 39 8.070 11.982 -8.191
271 HE2 LYS 39 1HE LYS 39 8.544 14.305 -8.217
272 HE3 LYS 39 2HE LYS 39 8.947 13.724 -6.602
273 HZ1 LYS 39 3HZ LYS 39 10.596 15.263 -7.732
274 HZ2 LYS 39 1HZ LYS 39 10.993 13.951 -8.723
275 HZ3 LYS 39 2HZ LYS 39 11.219 13.846 -7.050
276 HA PRO 40 HA PRO 40 15.023 7.612 -8.102
277 HB2 PRO 40 1HB PRO 40 13.864 6.025 -9.975
278 HB3 PRO 40 2HB PRO 40 13.813 5.664 -8.245
279 HG2 PRO 40 1HG PRO 40 11.727 6.933 -9.977
280 HG3 PRO 40 2HG PRO 40 11.537 5.698 -8.718
281 HD2 PRO 40 1HD PRO 40 10.990 8.315 -8.287
282 HD3 PRO 40 2HD PRO 40 11.610 7.246 -7.012
283 H SER 41 H SER 41 16.167 7.358 -10.172
284 HA SER 41 HA SER 41 16.127 9.746 -11.682
285 HB2 SER 41 1HB SER 41 17.589 7.137 -11.912
286 HB3 SER 41 2HB SER 41 17.685 8.311 -13.223
287 HG SER 41 HG SER 41 19.344 8.489 -11.561
288 H GLY 42 H GLY 42 14.370 10.204 -12.881
289 HA2 GLY 42 1HA GLY 42 13.459 8.134 -14.785
290 HA3 GLY 42 2HA GLY 42 12.384 9.316 -14.054
291 HA PRO 43 HA PRO 43 13.764 10.825 -18.251
292 HB2 PRO 43 1HB PRO 43 11.261 11.260 -19.207
293 HB3 PRO 43 2HB PRO 43 12.087 9.704 -19.349
294 HG2 PRO 43 1HG PRO 43 10.023 10.580 -17.365
295 HG3 PRO 43 2HG PRO 43 10.157 9.040 -18.234
296 HD2 PRO 43 1HD PRO 43 10.955 9.338 -15.663
297 HD3 PRO 43 2HD PRO 43 11.754 8.220 -16.788
298 H SER 44 H SER 44 13.027 12.935 -19.308
299 HA SER 44 HA SER 44 11.873 14.864 -17.460
300 HB2 SER 44 1HB SER 44 14.745 14.828 -18.279
301 HB3 SER 44 2HB SER 44 13.939 16.389 -18.129
302 HG SER 44 HG SER 44 14.248 14.397 -16.137
303 H SER 45 H SER 45 11.921 17.128 -18.584
304 HA SER 45 HA SER 45 11.163 16.710 -21.402
305 HB2 SER 45 1HB SER 45 9.385 17.400 -19.633
306 HB3 SER 45 2HB SER 45 10.138 18.991 -19.733
307 HG SER 45 HG SER 45 8.605 17.623 -21.601
308 H GLY 46 H GLY 46 11.738 18.273 -22.934
309 HA2 GLY 46 1HA GLY 46 13.388 20.522 -22.112
310 HA3 GLY 46 2HA GLY 46 14.215 19.274 -23.032
Start of MODEL 3
1 H1 GLY 1 H GLY 1 4.093 -13.031 16.189
2 HA2 GLY 1 1HA GLY 1 2.191 -13.425 18.321
3 HA3 GLY 1 2HA GLY 1 3.840 -12.840 18.486
4 H SER 2 H SER 2 1.085 -11.583 16.622
5 HA SER 2 HA SER 2 1.449 -9.018 18.021
6 HB2 SER 2 1HB SER 2 0.482 -7.949 16.040
7 HB3 SER 2 2HB SER 2 1.871 -8.937 15.589
8 HG SER 2 HG SER 2 -0.622 -10.168 15.537
9 H SER 3 H SER 3 -0.040 -10.989 19.277
10 HA SER 3 HA SER 3 -2.741 -11.141 18.818
11 HB2 SER 3 1HB SER 3 -1.406 -10.904 21.526
12 HB3 SER 3 2HB SER 3 -3.008 -11.573 21.218
13 HG SER 3 HG SER 3 -0.485 -12.615 20.497
14 H GLY 4 H GLY 4 -4.570 -10.014 19.644
15 HA2 GLY 4 1HA GLY 4 -5.648 -8.163 20.641
16 HA3 GLY 4 2HA GLY 4 -4.107 -7.320 20.687
17 H SER 5 H SER 5 -6.845 -8.200 18.695
18 HA SER 5 HA SER 5 -6.687 -5.813 17.183
19 HB2 SER 5 1HB SER 5 -5.984 -6.570 15.061
20 HB3 SER 5 2HB SER 5 -4.819 -7.273 16.183
21 HG SER 5 HG SER 5 -6.358 -9.151 16.135
22 H SER 6 H SER 6 -8.244 -5.977 15.212
23 HA SER 6 HA SER 6 -10.673 -7.246 16.211
24 HB2 SER 6 1HB SER 6 -10.370 -5.350 13.873
25 HB3 SER 6 2HB SER 6 -11.867 -5.800 14.689
26 HG SER 6 HG SER 6 -10.510 -4.907 16.618
27 H GLY 7 H GLY 7 -12.163 -8.254 14.607
28 HA2 GLY 7 1HA GLY 7 -10.708 -10.240 13.095
29 HA3 GLY 7 2HA GLY 7 -12.447 -10.176 13.334
30 H THR 8 H THR 8 -10.858 -7.330 12.208
31 HA THR 8 HA THR 8 -11.696 -7.915 9.448
32 HB THR 8 HB THR 8 -12.495 -5.603 9.197
33 HG1 THR 8 HG1 THR 8 -11.854 -4.238 10.676
34 HG21 THR 8 3HG2 THR 8 -13.818 -7.684 10.387
35 HG22 THR 8 1HG2 THR 8 -14.565 -6.176 9.861
36 HG23 THR 8 2HG2 THR 8 -14.070 -6.376 11.542
37 H GLY 9 H GLY 9 -10.314 -7.276 7.873
38 HA2 GLY 9 1HA GLY 9 -8.312 -5.256 8.325
39 HA3 GLY 9 2HA GLY 9 -7.653 -6.885 8.285
40 H GLU 10 H GLU 10 -9.345 -7.987 6.322
41 HA GLU 10 HA GLU 10 -8.013 -7.090 3.974
42 HB2 GLU 10 1HB GLU 10 -8.978 -9.448 4.600
43 HB3 GLU 10 2HB GLU 10 -10.451 -8.825 3.871
44 HG2 GLU 10 1HG GLU 10 -7.888 -8.618 2.371
45 HG3 GLU 10 2HG GLU 10 -8.722 -10.169 2.454
46 H LYS 11 H LYS 11 -8.492 -5.218 3.033
47 HA LYS 11 HA LYS 11 -11.330 -4.471 2.766
48 HB2 LYS 11 1HB LYS 11 -8.891 -2.689 2.891
49 HB3 LYS 11 2HB LYS 11 -10.529 -2.125 2.588
50 HG2 LYS 11 1HG LYS 11 -9.706 -3.595 5.080
51 HG3 LYS 11 2HG LYS 11 -9.726 -1.836 4.934
52 HD2 LYS 11 1HD LYS 11 -12.021 -1.734 4.858
53 HD3 LYS 11 2HD LYS 11 -12.178 -3.365 4.199
54 HE2 LYS 11 1HE LYS 11 -12.960 -3.533 6.402
55 HE3 LYS 11 2HE LYS 11 -11.319 -4.176 6.460
56 HZ1 LYS 11 3HZ LYS 11 -12.182 -2.408 8.191
57 HZ2 LYS 11 1HZ LYS 11 -11.674 -1.325 6.995
58 HZ3 LYS 11 2HZ LYS 11 -10.574 -2.421 7.665
59 HA PRO 12 HA PRO 12 -10.973 -4.645 -1.606
60 HB2 PRO 12 1HB PRO 12 -12.677 -2.667 -2.348
61 HB3 PRO 12 2HB PRO 12 -13.227 -4.211 -1.687
62 HG2 PRO 12 1HG PRO 12 -12.901 -1.571 -0.314
63 HG3 PRO 12 2HG PRO 12 -14.222 -2.747 -0.179
64 HD2 PRO 12 1HD PRO 12 -12.255 -2.545 1.672
65 HD3 PRO 12 2HD PRO 12 -13.047 -4.086 1.284
66 H TYR 13 H TYR 13 -9.622 -2.226 0.165
67 HA TYR 13 HA TYR 13 -8.439 -0.998 -2.231
68 HB2 TYR 13 1HB TYR 13 -9.245 0.466 0.291
69 HB3 TYR 13 2HB TYR 13 -8.392 1.177 -1.074
70 HD1 TYR 13 HD2 TYR 13 -9.553 1.566 -3.200
71 HD2 TYR 13 HD1 TYR 13 -11.612 0.024 0.189
72 HE1 TYR 13 HE2 TYR 13 -11.702 2.112 -4.264
73 HE2 TYR 13 HE1 TYR 13 -13.766 0.564 -0.866
74 HH TYR 13 HH TYR 13 -13.990 1.572 -4.174
75 H GLU 14 H GLU 14 -6.383 -1.612 -2.259
76 HA GLU 14 HA GLU 14 -4.879 -1.572 0.275
77 HB2 GLU 14 1HB GLU 14 -5.333 -3.865 -0.777
78 HB3 GLU 14 2HB GLU 14 -4.216 -3.376 -2.043
79 HG2 GLU 14 1HG GLU 14 -2.440 -3.116 -0.419
80 HG3 GLU 14 2HG GLU 14 -3.552 -3.517 0.889
81 H CYS 15 H CYS 15 -3.167 -0.269 0.325
82 HA CYS 15 HA CYS 15 -2.546 1.479 -1.777
83 HB2 CYS 15 1HB CYS 15 -2.035 1.557 0.823
84 HB3 CYS 15 2HB CYS 15 -0.495 0.876 0.307
85 H SER 16 H SER 16 -1.386 1.207 -3.559
86 HA SER 16 HA SER 16 0.090 -1.249 -3.961
87 HB2 SER 16 1HB SER 16 -0.317 1.096 -5.834
88 HB3 SER 16 2HB SER 16 0.331 -0.484 -6.275
89 HG SER 16 HG SER 16 -1.915 -1.022 -5.117
90 H VAL 17 H VAL 17 1.130 0.613 -2.001
91 HA VAL 17 HA VAL 17 3.778 1.061 -3.199
92 HB VAL 17 HB VAL 17 2.362 2.962 -1.326
93 HG11 VAL 17 1HG1 VAL 17 4.603 3.054 -0.680
94 HG12 VAL 17 2HG1 VAL 17 5.185 2.848 -2.334
95 HG13 VAL 17 3HG1 VAL 17 4.445 4.372 -1.841
96 HG21 VAL 17 3HG2 VAL 17 2.552 4.550 -3.204
97 HG22 VAL 17 1HG2 VAL 17 3.203 3.254 -4.208
98 HG23 VAL 17 2HG2 VAL 17 1.550 3.154 -3.600
99 H CYS 18 H CYS 18 2.372 1.550 0.035
100 HA CYS 18 HA CYS 18 4.616 0.147 1.223
101 HB2 CYS 18 1HB CYS 18 3.529 0.820 3.381
102 HB3 CYS 18 2HB CYS 18 3.934 2.169 2.324
103 H GLY 19 H GLY 19 1.229 -0.375 0.569
104 HA2 GLY 19 1HA GLY 19 0.340 -2.580 0.361
105 HA3 GLY 19 2HA GLY 19 1.536 -3.137 1.522
106 H LYS 20 H LYS 20 -0.579 -0.327 1.837
107 HA LYS 20 HA LYS 20 -1.555 -1.395 4.365
108 HB2 LYS 20 1HB LYS 20 -0.759 1.067 3.803
109 HB3 LYS 20 2HB LYS 20 -2.431 1.249 3.289
110 HG2 LYS 20 1HG LYS 20 -3.257 1.011 5.414
111 HG3 LYS 20 2HG LYS 20 -1.865 0.078 5.967
112 HD2 LYS 20 1HD LYS 20 -0.558 1.966 6.274
113 HD3 LYS 20 2HD LYS 20 -1.522 2.937 5.159
114 HE2 LYS 20 1HE LYS 20 -3.376 2.914 6.777
115 HE3 LYS 20 2HE LYS 20 -2.374 1.989 7.894
116 HZ1 LYS 20 3HZ LYS 20 -1.848 4.744 6.921
117 HZ2 LYS 20 1HZ LYS 20 -0.790 3.852 7.895
118 HZ3 LYS 20 2HZ LYS 20 -2.311 4.298 8.485
119 H ALA 21 H ALA 21 -3.979 -0.673 4.788
120 HA ALA 21 HA ALA 21 -5.633 -1.341 2.459
121 HB1 ALA 21 3HB ALA 21 -6.105 -3.364 3.238
122 HB2 ALA 21 1HB ALA 21 -5.138 -3.072 4.684
123 HB3 ALA 21 2HB ALA 21 -6.841 -2.614 4.655
124 H PHE 22 H PHE 22 -7.449 -0.163 2.306
125 HA PHE 22 HA PHE 22 -8.335 1.340 4.676
126 HB2 PHE 22 1HB PHE 22 -8.170 2.411 1.851
127 HB3 PHE 22 2HB PHE 22 -8.799 3.281 3.247
128 HD1 PHE 22 HD1 PHE 22 -5.779 1.960 1.637
129 HD2 PHE 22 HD2 PHE 22 -7.333 4.260 4.863
130 HE1 PHE 22 HE1 PHE 22 -3.518 2.801 2.121
131 HE2 PHE 22 HE2 PHE 22 -5.075 5.107 5.351
132 HZ PHE 22 HZ PHE 22 -3.164 4.378 3.979
133 H SER 23 H SER 23 -10.561 1.830 4.777
134 HA SER 23 HA SER 23 -12.238 -0.178 3.621
135 HB2 SER 23 1HB SER 23 -12.583 2.050 5.562
136 HB3 SER 23 2HB SER 23 -14.030 1.470 4.738
137 HG SER 23 HG SER 23 -13.881 -0.399 5.753
138 H HIS 24 H HIS 24 -11.783 3.290 3.129
139 HA HIS 24 HA HIS 24 -13.647 3.183 0.858
140 HB2 HIS 24 1HB HIS 24 -13.673 4.952 2.873
141 HB3 HIS 24 2HB HIS 24 -12.553 5.782 1.797
142 HD1 HIS 24 HD1 HIS 24 -13.569 7.128 -0.035
143 HD2 HIS 24 HD2 HIS 24 -16.260 4.418 1.602
144 HE1 HIS 24 HE1 HIS 24 -15.784 7.648 -1.107
145 H ARG 25 H ARG 25 -12.986 4.826 -0.927
146 HA ARG 25 HA ARG 25 -10.379 3.987 -1.864
147 HB2 ARG 25 1HB ARG 25 -12.620 4.229 -3.213
148 HB3 ARG 25 2HB ARG 25 -12.123 5.910 -3.352
149 HG2 ARG 25 1HG ARG 25 -10.161 3.790 -4.052
150 HG3 ARG 25 2HG ARG 25 -11.478 4.135 -5.175
151 HD2 ARG 25 1HD ARG 25 -9.916 5.612 -5.944
152 HD3 ARG 25 2HD ARG 25 -10.722 6.626 -4.749
153 HE ARG 25 HE ARG 25 -8.797 6.635 -3.511
154 HH11 ARG 25 1HH1 ARG 25 -8.627 4.078 -5.867
155 HH12 ARG 25 2HH1 ARG 25 -6.967 3.708 -5.538
156 HH21 ARG 25 1HH2 ARG 25 -6.612 6.157 -3.068
157 HH22 ARG 25 2HH2 ARG 25 -5.822 4.891 -3.945
158 H GLN 26 H GLN 26 -12.032 7.100 -1.340
159 HA GLN 26 HA GLN 26 -10.017 8.843 -1.962
160 HB2 GLN 26 1HB GLN 26 -12.408 9.323 -1.142
161 HB3 GLN 26 2HB GLN 26 -11.726 9.259 0.478
162 HG2 GLN 26 1HG GLN 26 -10.403 11.149 0.125
163 HG3 GLN 26 2HG GLN 26 -10.580 11.054 -1.626
164 HE21 GLN 26 1HE2 GLN 26 -11.860 12.265 1.296
165 HE22 GLN 26 2HE2 GLN 26 -13.217 13.097 0.626
166 H SER 27 H SER 27 -10.541 7.249 1.171
167 HA SER 27 HA SER 27 -8.544 8.390 2.663
168 HB2 SER 27 1HB SER 27 -9.467 5.509 2.649
169 HB3 SER 27 2HB SER 27 -8.440 6.209 3.900
170 HG SER 27 HG SER 27 -10.091 7.349 4.648
171 H LEU 28 H LEU 28 -8.237 5.568 0.519
172 HA LEU 28 HA LEU 28 -5.484 5.160 0.944
173 HB2 LEU 28 1HB LEU 28 -6.732 3.389 0.010
174 HB3 LEU 28 2HB LEU 28 -7.344 4.408 -1.291
175 HG LEU 28 HG LEU 28 -5.020 4.494 -2.210
176 HD11 LEU 28 1HD1 LEU 28 -3.271 3.460 -1.253
177 HD12 LEU 28 2HD1 LEU 28 -4.240 2.089 -0.714
178 HD13 LEU 28 3HD1 LEU 28 -4.238 3.587 0.216
179 HD21 LEU 28 3HD2 LEU 28 -5.379 2.635 -3.464
180 HD22 LEU 28 1HD2 LEU 28 -6.954 2.727 -2.676
181 HD23 LEU 28 2HD2 LEU 28 -5.725 1.619 -2.063
182 H SER 29 H SER 29 -7.255 7.055 -1.459
183 HA SER 29 HA SER 29 -5.077 7.771 -3.071
184 HB2 SER 29 1HB SER 29 -7.466 8.105 -3.688
185 HB3 SER 29 2HB SER 29 -7.558 9.415 -2.511
186 HG SER 29 HG SER 29 -5.502 10.022 -3.934
187 H VAL 30 H VAL 30 -6.536 9.450 -0.298
188 HA VAL 30 HA VAL 30 -4.769 11.653 -0.321
189 HB VAL 30 HB VAL 30 -6.355 10.496 1.975
190 HG11 VAL 30 1HG1 VAL 30 -5.020 13.187 1.698
191 HG12 VAL 30 2HG1 VAL 30 -6.081 12.698 3.021
192 HG13 VAL 30 3HG1 VAL 30 -4.531 11.888 2.786
193 HG21 VAL 30 3HG2 VAL 30 -7.757 12.609 1.391
194 HG22 VAL 30 1HG2 VAL 30 -6.969 12.473 -0.180
195 HG23 VAL 30 2HG2 VAL 30 -7.951 11.143 0.432
196 H HIS 31 H HIS 31 -4.689 8.541 1.349
197 HA HIS 31 HA HIS 31 -2.478 9.057 3.004
198 HB2 HIS 31 1HB HIS 31 -3.580 7.143 3.651
199 HB3 HIS 31 2HB HIS 31 -3.842 6.605 1.994
200 HD1 HIS 31 HD1 HIS 31 -1.019 6.867 4.518
201 HD2 HIS 31 HD2 HIS 31 -2.112 4.682 1.158
202 HE1 HIS 31 HE1 HIS 31 0.721 5.065 4.292
203 H GLN 32 H GLN 32 -2.649 7.478 -0.182
204 HA GLN 32 HA GLN 32 -0.074 6.774 -0.623
205 HB2 GLN 32 1HB GLN 32 -2.153 7.927 -2.439
206 HB3 GLN 32 2HB GLN 32 -0.532 7.644 -3.060
207 HG2 GLN 32 1HG GLN 32 -0.757 5.273 -2.253
208 HG3 GLN 32 2HG GLN 32 -2.457 5.626 -1.948
209 HE21 GLN 32 1HE2 GLN 32 -2.851 3.907 -3.479
210 HE22 GLN 32 2HE2 GLN 32 -2.819 4.252 -5.171
211 H ARG 33 H ARG 33 -1.338 10.022 -0.478
212 HA ARG 33 HA ARG 33 0.560 11.530 -1.731
213 HB2 ARG 33 1HB ARG 33 -0.870 12.038 0.876
214 HB3 ARG 33 2HB ARG 33 0.142 13.245 0.096
215 HG2 ARG 33 1HG ARG 33 -1.404 12.700 -1.971
216 HG3 ARG 33 2HG ARG 33 -2.516 12.195 -0.697
217 HD2 ARG 33 1HD ARG 33 -2.693 14.321 0.174
218 HD3 ARG 33 2HD ARG 33 -1.130 14.826 -0.467
219 HE ARG 33 HE ARG 33 -3.055 14.272 -2.515
220 HH11 ARG 33 1HH1 ARG 33 -1.910 16.673 -0.269
221 HH12 ARG 33 2HH1 ARG 33 -2.489 18.012 -1.203
222 HH21 ARG 33 1HH2 ARG 33 -3.823 16.027 -3.754
223 HH22 ARG 33 2HH2 ARG 33 -3.578 17.643 -3.184
224 H ILE 34 H ILE 34 0.771 10.145 1.527
225 HA ILE 34 HA ILE 34 3.103 11.250 2.440
226 HB ILE 34 HB ILE 34 3.398 9.360 3.856
227 HG12 ILE 34 1HG1 ILE 34 1.531 7.818 2.042
228 HG13 ILE 34 2HG1 ILE 34 3.284 7.654 2.035
229 HG21 ILE 34 1HG2 ILE 34 1.590 10.101 4.915
230 HG22 ILE 34 2HG2 ILE 34 0.787 10.492 3.395
231 HG23 ILE 34 3HG2 ILE 34 0.665 8.865 4.063
232 HD11 ILE 34 3HD1 ILE 34 3.192 6.916 4.380
233 HD12 ILE 34 1HD1 ILE 34 1.432 7.006 4.315
234 HD13 ILE 34 2HD1 ILE 34 2.295 5.859 3.290
235 H HIS 35 H HIS 35 2.707 8.776 -0.003
236 HA HIS 35 HA HIS 35 5.495 8.095 -0.118
237 HB2 HIS 35 1HB HIS 35 3.401 7.545 -2.223
238 HB3 HIS 35 2HB HIS 35 4.909 6.676 -1.954
239 HD1 HIS 35 HD1 HIS 35 4.775 6.020 0.981
240 HD2 HIS 35 HD2 HIS 35 1.478 5.774 -1.535
241 HE1 HIS 35 HE1 HIS 35 3.193 4.419 2.101
242 H SER 36 H SER 36 3.379 10.372 -1.694
243 HA SER 36 HA SER 36 4.933 10.969 -3.951
244 HB2 SER 36 1HB SER 36 2.945 12.600 -2.373
245 HB3 SER 36 2HB SER 36 3.729 13.222 -3.824
246 HG SER 36 HG SER 36 1.639 11.552 -3.623
247 H GLY 37 H GLY 37 4.794 12.627 -0.795
248 HA2 GLY 37 1HA GLY 37 7.315 13.983 -1.473
249 HA3 GLY 37 2HA GLY 37 6.191 14.484 -0.218
250 H LYS 38 H LYS 38 8.693 14.447 0.564
251 HA LYS 38 HA LYS 38 10.165 13.614 2.086
252 HB2 LYS 38 1HB LYS 38 7.672 12.112 2.885
253 HB3 LYS 38 2HB LYS 38 9.177 12.012 3.790
254 HG2 LYS 38 1HG LYS 38 9.098 14.455 4.129
255 HG3 LYS 38 2HG LYS 38 7.538 14.490 3.303
256 HD2 LYS 38 1HD LYS 38 6.920 14.409 5.535
257 HD3 LYS 38 2HD LYS 38 6.850 12.710 5.061
258 HE2 LYS 38 1HE LYS 38 7.977 12.742 7.128
259 HE3 LYS 38 2HE LYS 38 9.234 12.527 5.911
260 HZ1 LYS 38 3HZ LYS 38 8.511 15.127 7.151
261 HZ2 LYS 38 1HZ LYS 38 9.781 14.847 6.069
262 HZ3 LYS 38 2HZ LYS 38 9.825 14.169 7.617
263 H LYS 39 H LYS 39 10.485 12.523 -0.376
264 HA LYS 39 HA LYS 39 11.245 9.754 0.263
265 HB2 LYS 39 1HB LYS 39 9.272 9.705 -1.190
266 HB3 LYS 39 2HB LYS 39 10.094 10.731 -2.358
267 HG2 LYS 39 1HG LYS 39 11.849 8.888 -2.492
268 HG3 LYS 39 2HG LYS 39 10.676 7.878 -1.643
269 HD2 LYS 39 1HD LYS 39 10.307 7.436 -3.918
270 HD3 LYS 39 2HD LYS 39 9.026 8.565 -3.470
271 HE2 LYS 39 1HE LYS 39 9.820 9.394 -5.500
272 HE3 LYS 39 2HE LYS 39 10.623 10.395 -4.292
273 HZ1 LYS 39 3HZ LYS 39 12.587 9.731 -5.034
274 HZ2 LYS 39 1HZ LYS 39 11.813 8.912 -6.296
275 HZ3 LYS 39 2HZ LYS 39 12.177 8.099 -4.858
276 HA PRO 40 HA PRO 40 15.042 11.940 -1.002
277 HB2 PRO 40 1HB PRO 40 16.689 10.332 0.438
278 HB3 PRO 40 2HB PRO 40 15.830 11.706 1.144
279 HG2 PRO 40 1HG PRO 40 15.135 8.795 1.221
280 HG3 PRO 40 2HG PRO 40 15.065 9.997 2.523
281 HD2 PRO 40 1HD PRO 40 12.870 9.209 1.148
282 HD3 PRO 40 2HD PRO 40 13.052 10.852 1.796
283 H SER 41 H SER 41 16.176 11.475 -2.782
284 HA SER 41 HA SER 41 17.012 8.787 -3.400
285 HB2 SER 41 1HB SER 41 14.679 8.819 -4.252
286 HB3 SER 41 2HB SER 41 15.097 10.188 -5.282
287 HG SER 41 HG SER 41 16.620 7.833 -5.419
288 H GLY 42 H GLY 42 18.453 8.696 -5.247
289 HA2 GLY 42 1HA GLY 42 20.319 10.756 -5.316
290 HA3 GLY 42 2HA GLY 42 20.182 9.493 -6.530
291 HA PRO 43 HA PRO 43 19.356 13.538 -8.612
292 HB2 PRO 43 1HB PRO 43 20.864 12.979 -10.798
293 HB3 PRO 43 2HB PRO 43 21.536 13.680 -9.321
294 HG2 PRO 43 1HG PRO 43 21.558 10.833 -10.246
295 HG3 PRO 43 2HG PRO 43 22.863 11.779 -9.508
296 HD2 PRO 43 1HD PRO 43 21.373 10.007 -8.103
297 HD3 PRO 43 2HD PRO 43 22.041 11.482 -7.375
298 H SER 44 H SER 44 19.377 10.221 -9.829
299 HA SER 44 HA SER 44 17.755 10.717 -12.103
300 HB2 SER 44 1HB SER 44 17.622 8.336 -12.332
301 HB3 SER 44 2HB SER 44 19.244 8.704 -11.747
302 HG SER 44 HG SER 44 17.798 6.971 -10.688
303 H SER 45 H SER 45 15.700 11.305 -12.101
304 HA SER 45 HA SER 45 13.818 10.010 -10.300
305 HB2 SER 45 1HB SER 45 14.281 12.996 -10.343
306 HB3 SER 45 2HB SER 45 12.816 12.258 -9.695
307 HG SER 45 HG SER 45 13.898 11.959 -7.932
308 H GLY 46 H GLY 46 11.587 10.319 -10.930
309 HA2 GLY 46 1HA GLY 46 11.313 10.433 -13.798
310 HA3 GLY 46 2HA GLY 46 10.041 10.078 -12.639
Start of MODEL 4
1 H1 GLY 1 H GLY 1 5.065 -16.013 -0.465
2 HA2 GLY 1 1HA GLY 1 4.858 -14.364 -2.386
3 HA3 GLY 1 2HA GLY 1 4.224 -15.737 -3.281
4 H SER 2 H SER 2 2.986 -13.145 -2.591
5 HA SER 2 HA SER 2 0.478 -14.226 -1.595
6 HB2 SER 2 1HB SER 2 0.187 -12.635 0.164
7 HB3 SER 2 2HB SER 2 1.780 -13.355 0.400
8 HG SER 2 HG SER 2 1.435 -10.901 0.429
9 H SER 3 H SER 3 -1.310 -12.617 -1.812
10 HA SER 3 HA SER 3 -0.816 -10.446 -3.684
11 HB2 SER 3 1HB SER 3 -2.379 -12.922 -4.353
12 HB3 SER 3 2HB SER 3 -2.809 -11.377 -5.086
13 HG SER 3 HG SER 3 -1.200 -11.648 -6.392
14 H GLY 4 H GLY 4 -2.934 -9.267 -4.167
15 HA2 GLY 4 1HA GLY 4 -4.198 -8.708 -1.641
16 HA3 GLY 4 2HA GLY 4 -4.504 -7.890 -3.166
17 H SER 5 H SER 5 -5.011 -11.085 -1.668
18 HA SER 5 HA SER 5 -7.619 -11.199 -3.030
19 HB2 SER 5 1HB SER 5 -6.304 -13.066 -3.703
20 HB3 SER 5 2HB SER 5 -5.774 -13.380 -2.050
21 HG SER 5 HG SER 5 -7.860 -14.038 -1.542
22 H SER 6 H SER 6 -6.016 -12.035 0.034
23 HA SER 6 HA SER 6 -8.433 -12.540 1.437
24 HB2 SER 6 1HB SER 6 -5.662 -11.886 2.469
25 HB3 SER 6 2HB SER 6 -6.998 -12.460 3.467
26 HG SER 6 HG SER 6 -5.280 -13.895 2.043
27 H GLY 7 H GLY 7 -9.881 -10.882 1.363
28 HA2 GLY 7 1HA GLY 7 -10.412 -9.028 3.015
29 HA3 GLY 7 2HA GLY 7 -8.968 -8.262 2.370
30 H THR 8 H THR 8 -12.155 -9.499 1.427
31 HA THR 8 HA THR 8 -12.183 -7.523 -0.759
32 HB THR 8 HB THR 8 -13.853 -10.033 -0.517
33 HG1 THR 8 HG1 THR 8 -11.953 -9.714 -2.536
34 HG21 THR 8 3HG2 THR 8 -13.944 -9.330 -3.120
35 HG22 THR 8 1HG2 THR 8 -13.844 -7.736 -2.373
36 HG23 THR 8 2HG2 THR 8 -15.151 -8.835 -1.935
37 H GLY 9 H GLY 9 -14.367 -9.143 1.555
38 HA2 GLY 9 1HA GLY 9 -16.554 -7.446 1.262
39 HA3 GLY 9 2HA GLY 9 -16.180 -8.354 2.720
40 H GLU 10 H GLU 10 -13.794 -7.155 3.475
41 HA GLU 10 HA GLU 10 -14.595 -4.358 3.937
42 HB2 GLU 10 1HB GLU 10 -14.894 -5.979 5.905
43 HB3 GLU 10 2HB GLU 10 -13.139 -6.024 5.978
44 HG2 GLU 10 1HG GLU 10 -13.086 -3.610 6.329
45 HG3 GLU 10 2HG GLU 10 -14.846 -3.560 6.251
46 H LYS 11 H LYS 11 -13.103 -2.878 3.467
47 HA LYS 11 HA LYS 11 -11.130 -1.905 2.888
48 HB2 LYS 11 1HB LYS 11 -9.915 -4.256 4.352
49 HB3 LYS 11 2HB LYS 11 -9.050 -2.806 3.858
50 HG2 LYS 11 1HG LYS 11 -10.704 -1.514 5.285
51 HG3 LYS 11 2HG LYS 11 -11.186 -3.078 5.947
52 HD2 LYS 11 1HD LYS 11 -8.577 -3.343 6.275
53 HD3 LYS 11 2HD LYS 11 -8.633 -1.579 6.261
54 HE2 LYS 11 1HE LYS 11 -10.345 -3.308 8.039
55 HE3 LYS 11 2HE LYS 11 -8.800 -2.617 8.532
56 HZ1 LYS 11 3HZ LYS 11 -11.232 -1.117 7.726
57 HZ2 LYS 11 1HZ LYS 11 -9.733 -0.403 8.054
58 HZ3 LYS 11 2HZ LYS 11 -10.571 -1.212 9.280
59 HA PRO 12 HA PRO 12 -10.788 -5.182 -0.497
60 HB2 PRO 12 1HB PRO 12 -12.145 -3.810 -2.406
61 HB3 PRO 12 2HB PRO 12 -12.933 -4.918 -1.276
62 HG2 PRO 12 1HG PRO 12 -12.741 -1.932 -1.178
63 HG3 PRO 12 2HG PRO 12 -14.136 -2.976 -0.844
64 HD2 PRO 12 1HD PRO 12 -12.621 -1.894 1.123
65 HD3 PRO 12 2HD PRO 12 -13.410 -3.476 1.286
66 H TYR 13 H TYR 13 -9.983 -1.942 0.085
67 HA TYR 13 HA TYR 13 -8.374 -1.720 -2.353
68 HB2 TYR 13 1HB TYR 13 -8.907 0.352 -0.216
69 HB3 TYR 13 2HB TYR 13 -8.087 0.627 -1.748
70 HD1 TYR 13 HD1 TYR 13 -11.322 0.063 -0.125
71 HD2 TYR 13 HD2 TYR 13 -9.339 0.756 -3.825
72 HE1 TYR 13 HE1 TYR 13 -13.482 0.589 -1.177
73 HE2 TYR 13 HE2 TYR 13 -11.493 1.285 -4.887
74 HH TYR 13 HH TYR 13 -14.112 0.516 -4.217
75 H GLU 14 H GLU 14 -6.154 -1.438 -2.313
76 HA GLU 14 HA GLU 14 -4.773 -1.563 0.254
77 HB2 GLU 14 1HB GLU 14 -5.186 -3.919 -0.651
78 HB3 GLU 14 2HB GLU 14 -4.056 -3.507 -1.934
79 HG2 GLU 14 1HG GLU 14 -2.384 -2.966 -0.131
80 HG3 GLU 14 2HG GLU 14 -3.511 -3.691 1.014
81 H CYS 15 H CYS 15 -3.128 -0.187 0.265
82 HA CYS 15 HA CYS 15 -2.441 1.428 -1.897
83 HB2 CYS 15 1HB CYS 15 -1.958 1.624 0.696
84 HB3 CYS 15 2HB CYS 15 -0.420 0.898 0.239
85 H SER 16 H SER 16 -1.249 1.098 -3.648
86 HA SER 16 HA SER 16 0.210 -1.382 -3.948
87 HB2 SER 16 1HB SER 16 0.339 -0.861 -6.261
88 HB3 SER 16 2HB SER 16 -1.254 -0.305 -5.745
89 HG SER 16 HG SER 16 0.420 1.695 -5.366
90 H VAL 17 H VAL 17 1.203 0.634 -2.061
91 HA VAL 17 HA VAL 17 3.883 0.995 -3.228
92 HB VAL 17 HB VAL 17 2.440 2.951 -1.433
93 HG11 VAL 17 1HG1 VAL 17 5.258 2.975 -2.505
94 HG12 VAL 17 2HG1 VAL 17 4.470 4.348 -1.726
95 HG13 VAL 17 3HG1 VAL 17 4.765 2.866 -0.816
96 HG21 VAL 17 3HG2 VAL 17 1.610 3.322 -3.576
97 HG22 VAL 17 1HG2 VAL 17 2.952 4.461 -3.461
98 HG23 VAL 17 2HG2 VAL 17 3.153 2.948 -4.344
99 H CYS 18 H CYS 18 2.418 1.550 -0.029
100 HA CYS 18 HA CYS 18 4.653 0.186 1.226
101 HB2 CYS 18 1HB CYS 18 3.549 0.922 3.350
102 HB3 CYS 18 2HB CYS 18 3.953 2.242 2.258
103 H GLY 19 H GLY 19 1.238 -0.310 0.622
104 HA2 GLY 19 1HA GLY 19 0.374 -2.544 0.430
105 HA3 GLY 19 2HA GLY 19 1.537 -3.054 1.645
106 H LYS 20 H LYS 20 -0.512 -0.199 1.851
107 HA LYS 20 HA LYS 20 -1.550 -1.135 4.388
108 HB2 LYS 20 1HB LYS 20 -0.832 1.303 3.643
109 HB3 LYS 20 2HB LYS 20 -2.503 1.384 3.100
110 HG2 LYS 20 1HG LYS 20 -3.348 1.272 5.231
111 HG3 LYS 20 2HG LYS 20 -1.921 0.451 5.869
112 HD2 LYS 20 1HD LYS 20 -0.663 2.613 5.416
113 HD3 LYS 20 2HD LYS 20 -2.243 3.360 5.168
114 HE2 LYS 20 1HE LYS 20 -2.734 2.189 7.499
115 HE3 LYS 20 2HE LYS 20 -0.985 2.338 7.658
116 HZ1 LYS 20 3HZ LYS 20 -1.840 4.289 8.569
117 HZ2 LYS 20 1HZ LYS 20 -2.986 4.489 7.341
118 HZ3 LYS 20 2HZ LYS 20 -1.347 4.755 7.020
119 H ALA 21 H ALA 21 -4.009 -0.440 4.711
120 HA ALA 21 HA ALA 21 -5.614 -1.310 2.423
121 HB1 ALA 21 3HB ALA 21 -5.025 -2.967 4.656
122 HB2 ALA 21 1HB ALA 21 -6.737 -2.544 4.712
123 HB3 ALA 21 2HB ALA 21 -6.063 -3.308 3.272
124 H PHE 22 H PHE 22 -7.461 -0.196 2.215
125 HA PHE 22 HA PHE 22 -8.496 1.267 4.543
126 HB2 PHE 22 1HB PHE 22 -8.372 2.492 1.790
127 HB3 PHE 22 2HB PHE 22 -8.754 3.287 3.314
128 HD1 PHE 22 HD1 PHE 22 -6.017 1.614 1.457
129 HD2 PHE 22 HD2 PHE 22 -7.081 4.300 4.582
130 HE1 PHE 22 HE1 PHE 22 -3.653 2.250 1.711
131 HE2 PHE 22 HE2 PHE 22 -4.720 4.940 4.841
132 HZ PHE 22 HZ PHE 22 -3.003 3.916 3.403
133 H SER 23 H SER 23 -10.733 1.717 4.501
134 HA SER 23 HA SER 23 -12.271 -0.262 3.086
135 HB2 SER 23 1HB SER 23 -12.593 0.790 5.511
136 HB3 SER 23 2HB SER 23 -13.601 1.926 4.616
137 HG SER 23 HG SER 23 -14.720 0.067 3.776
138 H HIS 24 H HIS 24 -11.852 3.233 2.962
139 HA HIS 24 HA HIS 24 -13.678 3.361 0.664
140 HB2 HIS 24 1HB HIS 24 -13.636 4.957 2.842
141 HB3 HIS 24 2HB HIS 24 -12.550 5.859 1.789
142 HD1 HIS 24 HD1 HIS 24 -13.598 7.227 -0.039
143 HD2 HIS 24 HD2 HIS 24 -16.295 4.632 1.765
144 HE1 HIS 24 HE1 HIS 24 -15.853 7.856 -0.957
145 H ARG 25 H ARG 25 -12.963 5.153 -0.957
146 HA ARG 25 HA ARG 25 -10.343 4.357 -1.919
147 HB2 ARG 25 1HB ARG 25 -12.728 5.702 -3.082
148 HB3 ARG 25 2HB ARG 25 -11.165 6.054 -3.808
149 HG2 ARG 25 1HG ARG 25 -10.806 3.653 -4.168
150 HG3 ARG 25 2HG ARG 25 -12.398 3.327 -3.480
151 HD2 ARG 25 1HD ARG 25 -12.535 3.317 -5.892
152 HD3 ARG 25 2HD ARG 25 -13.415 4.704 -5.252
153 HE ARG 25 HE ARG 25 -11.980 6.065 -6.385
154 HH11 ARG 25 1HH1 ARG 25 -10.489 2.941 -6.014
155 HH12 ARG 25 2HH1 ARG 25 -9.113 3.337 -6.989
156 HH21 ARG 25 1HH2 ARG 25 -10.173 6.599 -7.671
157 HH22 ARG 25 2HH2 ARG 25 -8.934 5.418 -7.930
158 H GLN 26 H GLN 26 -12.035 7.384 -1.125
159 HA GLN 26 HA GLN 26 -10.032 9.198 -1.647
160 HB2 GLN 26 1HB GLN 26 -12.455 9.561 -0.799
161 HB3 GLN 26 2HB GLN 26 -11.743 9.466 0.807
162 HG2 GLN 26 1HG GLN 26 -10.560 11.329 -1.191
163 HG3 GLN 26 2HG GLN 26 -12.068 11.766 -0.390
164 HE21 GLN 26 1HE2 GLN 26 -10.433 13.519 0.239
165 HE22 GLN 26 2HE2 GLN 26 -9.613 13.274 1.740
166 H SER 27 H SER 27 -10.549 7.324 1.320
167 HA SER 27 HA SER 27 -8.537 8.424 2.885
168 HB2 SER 27 1HB SER 27 -9.749 5.667 2.800
169 HB3 SER 27 2HB SER 27 -8.489 6.082 3.962
170 HG SER 27 HG SER 27 -11.094 6.599 4.098
171 H LEU 28 H LEU 28 -8.364 5.837 0.483
172 HA LEU 28 HA LEU 28 -5.626 5.217 0.958
173 HB2 LEU 28 1HB LEU 28 -6.889 3.519 -0.039
174 HB3 LEU 28 2HB LEU 28 -7.560 4.610 -1.250
175 HG LEU 28 HG LEU 28 -5.334 4.715 -2.329
176 HD11 LEU 28 1HD1 LEU 28 -4.079 2.434 -1.345
177 HD12 LEU 28 2HD1 LEU 28 -4.565 3.341 0.087
178 HD13 LEU 28 3HD1 LEU 28 -3.559 4.108 -1.142
179 HD21 LEU 28 3HD2 LEU 28 -5.386 2.070 -2.810
180 HD22 LEU 28 1HD2 LEU 28 -6.537 3.211 -3.505
181 HD23 LEU 28 2HD2 LEU 28 -6.975 2.277 -2.074
182 H SER 29 H SER 29 -7.300 7.135 -1.520
183 HA SER 29 HA SER 29 -5.095 7.862 -3.046
184 HB2 SER 29 1HB SER 29 -7.504 9.601 -2.468
185 HB3 SER 29 2HB SER 29 -6.440 9.704 -3.870
186 HG SER 29 HG SER 29 -7.628 7.241 -3.388
187 H VAL 30 H VAL 30 -6.582 9.671 -0.358
188 HA VAL 30 HA VAL 30 -4.707 11.753 -0.290
189 HB VAL 30 HB VAL 30 -6.363 10.636 1.978
190 HG11 VAL 30 1HG1 VAL 30 -4.655 11.931 2.966
191 HG12 VAL 30 2HG1 VAL 30 -4.766 13.171 1.716
192 HG13 VAL 30 3HG1 VAL 30 -6.068 12.982 2.890
193 HG21 VAL 30 3HG2 VAL 30 -8.052 11.420 0.730
194 HG22 VAL 30 1HG2 VAL 30 -7.480 13.015 1.218
195 HG23 VAL 30 2HG2 VAL 30 -6.972 12.331 -0.326
196 H HIS 31 H HIS 31 -4.719 8.578 1.224
197 HA HIS 31 HA HIS 31 -2.553 8.987 2.981
198 HB2 HIS 31 1HB HIS 31 -3.719 7.074 3.515
199 HB3 HIS 31 2HB HIS 31 -3.934 6.606 1.831
200 HD1 HIS 31 HD1 HIS 31 -1.306 6.595 4.549
201 HD2 HIS 31 HD2 HIS 31 -2.099 4.803 0.885
202 HE1 HIS 31 HE1 HIS 31 0.436 4.801 4.287
203 H GLN 32 H GLN 32 -2.614 7.297 -0.163
204 HA GLN 32 HA GLN 32 -0.026 6.684 -0.548
205 HB2 GLN 32 1HB GLN 32 -2.100 7.726 -2.431
206 HB3 GLN 32 2HB GLN 32 -0.456 7.506 -3.018
207 HG2 GLN 32 1HG GLN 32 -0.517 5.168 -2.459
208 HG3 GLN 32 2HG GLN 32 -2.103 5.354 -1.710
209 HE21 GLN 32 1HE2 GLN 32 -3.846 6.125 -3.150
210 HE22 GLN 32 2HE2 GLN 32 -3.855 5.567 -4.784
211 H ARG 33 H ARG 33 -1.361 9.905 -0.505
212 HA ARG 33 HA ARG 33 0.493 11.446 -1.758
213 HB2 ARG 33 1HB ARG 33 -0.847 11.962 0.900
214 HB3 ARG 33 2HB ARG 33 0.043 13.182 -0.001
215 HG2 ARG 33 1HG ARG 33 -1.539 12.751 -1.916
216 HG3 ARG 33 2HG ARG 33 -2.502 11.796 -0.787
217 HD2 ARG 33 1HD ARG 33 -3.326 14.099 -0.983
218 HD3 ARG 33 2HD ARG 33 -2.779 13.728 0.652
219 HE ARG 33 HE ARG 33 -0.651 14.878 -0.754
220 HH11 ARG 33 1HH1 ARG 33 -3.780 15.745 0.502
221 HH12 ARG 33 2HH1 ARG 33 -3.366 17.410 0.744
222 HH21 ARG 33 1HH2 ARG 33 -0.094 17.067 -0.441
223 HH22 ARG 33 2HH2 ARG 33 -1.269 18.161 0.206
224 H ILE 34 H ILE 34 0.784 10.057 1.490
225 HA ILE 34 HA ILE 34 3.086 11.214 2.397
226 HB ILE 34 HB ILE 34 3.524 9.210 3.691
227 HG12 ILE 34 1HG1 ILE 34 1.460 7.879 1.921
228 HG13 ILE 34 2HG1 ILE 34 3.192 7.561 1.892
229 HG21 ILE 34 1HG2 ILE 34 1.830 10.417 4.693
230 HG22 ILE 34 2HG2 ILE 34 0.692 10.109 3.382
231 HG23 ILE 34 3HG2 ILE 34 1.090 8.825 4.523
232 HD11 ILE 34 3HD1 ILE 34 2.933 6.904 4.340
233 HD12 ILE 34 1HD1 ILE 34 1.199 6.875 4.018
234 HD13 ILE 34 2HD1 ILE 34 2.281 5.807 3.124
235 H HIS 35 H HIS 35 2.778 8.668 -0.013
236 HA HIS 35 HA HIS 35 5.596 8.180 -0.203
237 HB2 HIS 35 1HB HIS 35 3.556 7.480 -2.307
238 HB3 HIS 35 2HB HIS 35 5.069 6.658 -1.936
239 HD1 HIS 35 HD1 HIS 35 4.914 5.942 0.907
240 HD2 HIS 35 HD2 HIS 35 1.543 5.876 -1.521
241 HE1 HIS 35 HE1 HIS 35 3.292 4.398 2.051
242 H SER 36 H SER 36 3.304 10.298 -1.756
243 HA SER 36 HA SER 36 4.818 10.966 -4.037
244 HB2 SER 36 1HB SER 36 2.593 12.322 -2.540
245 HB3 SER 36 2HB SER 36 3.402 13.146 -3.873
246 HG SER 36 HG SER 36 1.465 11.808 -4.362
247 H GLY 37 H GLY 37 6.740 11.909 -4.110
248 HA2 GLY 37 1HA GLY 37 7.308 14.357 -2.798
249 HA3 GLY 37 2HA GLY 37 8.088 13.030 -1.950
250 H LYS 38 H LYS 38 9.963 14.471 -2.649
251 HA LYS 38 HA LYS 38 10.798 13.869 -5.400
252 HB2 LYS 38 1HB LYS 38 10.892 16.214 -4.905
253 HB3 LYS 38 2HB LYS 38 11.763 15.920 -3.406
254 HG2 LYS 38 1HG LYS 38 13.755 15.543 -4.474
255 HG3 LYS 38 2HG LYS 38 12.979 15.034 -5.975
256 HD2 LYS 38 1HD LYS 38 12.239 17.393 -6.308
257 HD3 LYS 38 2HD LYS 38 13.199 17.842 -4.897
258 HE2 LYS 38 1HE LYS 38 14.633 18.293 -6.663
259 HE3 LYS 38 2HE LYS 38 15.144 16.688 -6.144
260 HZ1 LYS 38 3HZ LYS 38 14.622 15.847 -8.115
261 HZ2 LYS 38 1HZ LYS 38 14.410 17.428 -8.678
262 HZ3 LYS 38 2HZ LYS 38 13.083 16.550 -8.105
263 H LYS 39 H LYS 39 11.229 11.636 -4.714
264 HA LYS 39 HA LYS 39 13.994 11.374 -3.863
265 HB2 LYS 39 1HB LYS 39 11.662 10.291 -2.322
266 HB3 LYS 39 2HB LYS 39 13.184 9.411 -2.334
267 HG2 LYS 39 1HG LYS 39 13.000 12.309 -1.569
268 HG3 LYS 39 2HG LYS 39 12.807 10.996 -0.405
269 HD2 LYS 39 1HD LYS 39 15.211 11.221 -2.198
270 HD3 LYS 39 2HD LYS 39 15.131 12.010 -0.621
271 HE2 LYS 39 1HE LYS 39 14.733 9.834 0.436
272 HE3 LYS 39 2HE LYS 39 14.826 9.053 -1.142
273 HZ1 LYS 39 3HZ LYS 39 17.064 10.695 -0.144
274 HZ2 LYS 39 1HZ LYS 39 17.084 9.460 -1.301
275 HZ3 LYS 39 2HZ LYS 39 16.901 9.081 0.337
276 HA PRO 40 HA PRO 40 14.043 8.188 -6.884
277 HB2 PRO 40 1HB PRO 40 16.013 6.591 -5.917
278 HB3 PRO 40 2HB PRO 40 16.328 8.169 -6.648
279 HG2 PRO 40 1HG PRO 40 16.154 7.424 -3.754
280 HG3 PRO 40 2HG PRO 40 17.322 8.481 -4.569
281 HD2 PRO 40 1HD PRO 40 15.217 9.445 -3.164
282 HD3 PRO 40 2HD PRO 40 15.874 10.274 -4.590
283 H SER 41 H SER 41 13.091 7.616 -3.693
284 HA SER 41 HA SER 41 12.689 4.768 -3.954
285 HB2 SER 41 1HB SER 41 12.232 6.808 -1.827
286 HB3 SER 41 2HB SER 41 11.289 5.320 -1.757
287 HG SER 41 HG SER 41 14.115 5.568 -1.789
288 H GLY 42 H GLY 42 11.290 4.434 -5.657
289 HA2 GLY 42 1HA GLY 42 8.680 4.082 -5.397
290 HA3 GLY 42 2HA GLY 42 8.719 5.818 -5.665
291 HA PRO 43 HA PRO 43 10.243 3.561 -9.700
292 HB2 PRO 43 1HB PRO 43 9.385 0.996 -9.933
293 HB3 PRO 43 2HB PRO 43 10.942 1.426 -9.216
294 HG2 PRO 43 1HG PRO 43 8.358 0.746 -7.866
295 HG3 PRO 43 2HG PRO 43 10.004 0.226 -7.458
296 HD2 PRO 43 1HD PRO 43 8.735 2.218 -6.133
297 HD3 PRO 43 2HD PRO 43 10.494 2.201 -6.374
298 H SER 44 H SER 44 9.060 3.286 -11.654
299 HA SER 44 HA SER 44 6.405 4.285 -11.548
300 HB2 SER 44 1HB SER 44 8.271 3.409 -13.706
301 HB3 SER 44 2HB SER 44 6.557 3.545 -14.098
302 HG SER 44 HG SER 44 6.693 5.647 -13.970
303 H SER 45 H SER 45 7.760 1.112 -12.390
304 HA SER 45 HA SER 45 5.584 -0.277 -13.209
305 HB2 SER 45 1HB SER 45 8.004 -1.091 -12.724
306 HB3 SER 45 2HB SER 45 7.376 -1.507 -11.130
307 HG SER 45 HG SER 45 7.096 -3.296 -12.378
308 H GLY 46 H GLY 46 3.857 -1.374 -12.293
309 HA2 GLY 46 1HA GLY 46 3.084 -2.088 -9.898
310 HA3 GLY 46 2HA GLY 46 3.037 -0.346 -9.672
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -2.283 -21.127 12.241
2 HA2 GLY 1 1HA GLY 1 -3.383 -19.648 13.814
3 HA3 GLY 1 2HA GLY 1 -1.794 -19.104 14.331
4 H SER 2 H SER 2 -0.457 -18.174 12.405
5 HA SER 2 HA SER 2 -0.193 -16.562 10.816
6 HB2 SER 2 1HB SER 2 -1.849 -17.975 9.533
7 HB3 SER 2 2HB SER 2 -3.121 -16.922 10.152
8 HG SER 2 HG SER 2 -1.167 -16.426 8.242
9 H SER 3 H SER 3 -0.686 -15.814 13.439
10 HA SER 3 HA SER 3 -1.504 -14.145 14.792
11 HB2 SER 3 1HB SER 3 -0.856 -11.980 14.050
12 HB3 SER 3 2HB SER 3 0.276 -13.102 13.295
13 HG SER 3 HG SER 3 -1.475 -11.395 12.140
14 H GLY 4 H GLY 4 -3.626 -15.530 13.655
15 HA2 GLY 4 1HA GLY 4 -5.514 -13.949 12.305
16 HA3 GLY 4 2HA GLY 4 -5.884 -15.361 13.285
17 H SER 5 H SER 5 -7.251 -12.729 12.978
18 HA SER 5 HA SER 5 -7.756 -12.301 15.788
19 HB2 SER 5 1HB SER 5 -7.270 -9.926 15.808
20 HB3 SER 5 2HB SER 5 -5.819 -10.798 15.313
21 HG SER 5 HG SER 5 -6.705 -8.833 14.054
22 H SER 6 H SER 6 -9.750 -11.359 16.190
23 HA SER 6 HA SER 6 -11.562 -11.350 13.916
24 HB2 SER 6 1HB SER 6 -13.345 -11.284 15.591
25 HB3 SER 6 2HB SER 6 -12.188 -12.557 15.981
26 HG SER 6 HG SER 6 -12.666 -10.118 17.268
27 H GLY 7 H GLY 7 -12.489 -9.590 13.041
28 HA2 GLY 7 1HA GLY 7 -13.449 -7.335 13.542
29 HA3 GLY 7 2HA GLY 7 -11.915 -6.992 14.328
30 H THR 8 H THR 8 -13.012 -8.269 11.182
31 HA THR 8 HA THR 8 -11.114 -6.412 9.898
32 HB THR 8 HB THR 8 -11.015 -8.066 8.011
33 HG1 THR 8 HG1 THR 8 -12.192 -9.833 9.913
34 HG21 THR 8 3HG2 THR 8 -9.187 -9.045 8.921
35 HG22 THR 8 1HG2 THR 8 -10.062 -9.600 10.347
36 HG23 THR 8 2HG2 THR 8 -9.509 -7.929 10.247
37 H GLY 9 H GLY 9 -11.732 -5.544 7.845
38 HA2 GLY 9 1HA GLY 9 -14.653 -5.598 7.393
39 HA3 GLY 9 2HA GLY 9 -13.697 -4.129 7.260
40 H GLU 10 H GLU 10 -15.239 -4.756 5.162
41 HA GLU 10 HA GLU 10 -14.523 -6.436 3.187
42 HB2 GLU 10 1HB GLU 10 -15.223 -3.510 2.948
43 HB3 GLU 10 2HB GLU 10 -15.084 -4.577 1.557
44 HG2 GLU 10 1HG GLU 10 -17.339 -4.625 1.963
45 HG3 GLU 10 2HG GLU 10 -16.789 -6.050 2.842
46 H LYS 11 H LYS 11 -13.037 -3.211 3.542
47 HA LYS 11 HA LYS 11 -11.052 -2.369 2.802
48 HB2 LYS 11 1HB LYS 11 -10.106 -5.177 3.404
49 HB3 LYS 11 2HB LYS 11 -9.080 -3.758 3.243
50 HG2 LYS 11 1HG LYS 11 -11.251 -3.964 5.308
51 HG3 LYS 11 2HG LYS 11 -9.597 -4.509 5.594
52 HD2 LYS 11 1HD LYS 11 -8.741 -2.298 5.245
53 HD3 LYS 11 2HD LYS 11 -10.320 -1.718 4.710
54 HE2 LYS 11 1HE LYS 11 -9.764 -2.808 7.465
55 HE3 LYS 11 2HE LYS 11 -9.718 -1.094 7.055
56 HZ1 LYS 11 3HZ LYS 11 -12.088 -2.856 6.743
57 HZ2 LYS 11 1HZ LYS 11 -12.031 -1.193 6.432
58 HZ3 LYS 11 2HZ LYS 11 -11.849 -1.765 8.013
59 HA PRO 12 HA PRO 12 -11.585 -4.597 -1.329
60 HB2 PRO 12 1HB PRO 12 -12.855 -2.574 -2.620
61 HB3 PRO 12 2HB PRO 12 -13.715 -3.829 -1.720
62 HG2 PRO 12 1HG PRO 12 -13.006 -1.044 -0.880
63 HG3 PRO 12 2HG PRO 12 -14.522 -1.932 -0.643
64 HD2 PRO 12 1HD PRO 12 -12.673 -1.661 1.316
65 HD3 PRO 12 2HD PRO 12 -13.703 -3.099 1.169
66 H TYR 13 H TYR 13 -9.990 -2.033 0.032
67 HA TYR 13 HA TYR 13 -8.453 -1.564 -2.435
68 HB2 TYR 13 1HB TYR 13 -9.074 0.486 -0.298
69 HB3 TYR 13 2HB TYR 13 -8.080 0.755 -1.725
70 HD1 TYR 13 HD2 TYR 13 -9.219 0.431 -4.018
71 HD2 TYR 13 HD1 TYR 13 -11.368 0.899 -0.376
72 HE1 TYR 13 HE2 TYR 13 -11.215 1.101 -5.289
73 HE2 TYR 13 HE1 TYR 13 -13.370 1.569 -1.636
74 HH TYR 13 HH TYR 13 -14.204 1.068 -4.168
75 H GLU 14 H GLU 14 -6.213 -1.200 -2.172
76 HA GLU 14 HA GLU 14 -4.980 -1.332 0.413
77 HB2 GLU 14 1HB GLU 14 -5.449 -3.673 0.239
78 HB3 GLU 14 2HB GLU 14 -4.874 -3.724 -1.422
79 HG2 GLU 14 1HG GLU 14 -2.602 -3.156 -0.583
80 HG3 GLU 14 2HG GLU 14 -3.225 -3.311 1.059
81 H CYS 15 H CYS 15 -3.260 -0.068 0.270
82 HA CYS 15 HA CYS 15 -2.277 1.032 -2.082
83 HB2 CYS 15 1HB CYS 15 -1.918 1.646 0.471
84 HB3 CYS 15 2HB CYS 15 -0.434 0.727 0.246
85 H SER 16 H SER 16 0.226 0.881 -2.572
86 HA SER 16 HA SER 16 0.979 -1.957 -2.750
87 HB2 SER 16 1HB SER 16 -0.017 -0.885 -4.901
88 HB3 SER 16 2HB SER 16 1.536 -0.057 -5.011
89 HG SER 16 HG SER 16 0.945 -2.785 -5.242
90 H VAL 17 H VAL 17 2.093 1.398 -3.067
91 HA VAL 17 HA VAL 17 4.824 0.993 -3.104
92 HB VAL 17 HB VAL 17 4.992 3.241 -1.961
93 HG11 VAL 17 1HG1 VAL 17 3.067 3.224 -4.274
94 HG12 VAL 17 2HG1 VAL 17 4.286 4.438 -3.879
95 HG13 VAL 17 3HG1 VAL 17 4.780 2.841 -4.445
96 HG21 VAL 17 3HG2 VAL 17 2.126 2.674 -1.586
97 HG22 VAL 17 1HG2 VAL 17 3.221 3.679 -0.636
98 HG23 VAL 17 2HG2 VAL 17 2.515 4.307 -2.125
99 H CYS 18 H CYS 18 2.766 1.498 -0.238
100 HA CYS 18 HA CYS 18 4.968 0.577 1.462
101 HB2 CYS 18 1HB CYS 18 3.703 1.490 3.326
102 HB3 CYS 18 2HB CYS 18 3.846 2.702 2.057
103 H GLY 19 H GLY 19 1.554 -0.083 0.762
104 HA2 GLY 19 1HA GLY 19 0.784 -2.360 0.590
105 HA3 GLY 19 2HA GLY 19 1.973 -2.806 1.805
106 H LYS 20 H LYS 20 -0.196 -0.037 1.972
107 HA LYS 20 HA LYS 20 -1.233 -1.054 4.498
108 HB2 LYS 20 1HB LYS 20 -0.420 1.388 3.950
109 HB3 LYS 20 2HB LYS 20 -2.051 1.572 3.318
110 HG2 LYS 20 1HG LYS 20 -3.019 1.427 5.380
111 HG3 LYS 20 2HG LYS 20 -1.718 0.435 6.043
112 HD2 LYS 20 1HD LYS 20 -0.289 2.597 5.682
113 HD3 LYS 20 2HD LYS 20 -1.861 3.399 5.694
114 HE2 LYS 20 1HE LYS 20 -1.039 1.487 7.858
115 HE3 LYS 20 2HE LYS 20 -0.608 3.195 7.917
116 HZ1 LYS 20 3HZ LYS 20 -2.932 2.098 8.819
117 HZ2 LYS 20 1HZ LYS 20 -3.379 2.784 7.338
118 HZ3 LYS 20 2HZ LYS 20 -2.659 3.742 8.531
119 H ALA 21 H ALA 21 -3.678 -0.263 4.815
120 HA ALA 21 HA ALA 21 -5.251 -1.059 2.468
121 HB1 ALA 21 3HB ALA 21 -4.776 -2.782 4.572
122 HB2 ALA 21 1HB ALA 21 -6.368 -2.112 4.932
123 HB3 ALA 21 2HB ALA 21 -6.076 -2.914 3.388
124 H PHE 22 H PHE 22 -7.464 -0.378 2.523
125 HA PHE 22 HA PHE 22 -8.329 1.399 4.633
126 HB2 PHE 22 1HB PHE 22 -8.058 2.498 1.831
127 HB3 PHE 22 2HB PHE 22 -8.585 3.366 3.270
128 HD1 PHE 22 HD1 PHE 22 -5.721 1.998 1.460
129 HD2 PHE 22 HD2 PHE 22 -6.996 4.120 4.923
130 HE1 PHE 22 HE1 PHE 22 -3.399 2.688 1.888
131 HE2 PHE 22 HE2 PHE 22 -4.676 4.814 5.356
132 HZ PHE 22 HZ PHE 22 -2.873 4.099 3.838
133 H SER 23 H SER 23 -10.491 1.379 4.838
134 HA SER 23 HA SER 23 -12.040 -0.434 3.330
135 HB2 SER 23 1HB SER 23 -12.356 0.607 5.760
136 HB3 SER 23 2HB SER 23 -13.388 1.732 4.877
137 HG SER 23 HG SER 23 -14.191 -0.481 5.758
138 H HIS 24 H HIS 24 -11.784 3.094 3.283
139 HA HIS 24 HA HIS 24 -13.651 3.229 1.039
140 HB2 HIS 24 1HB HIS 24 -13.387 4.863 3.174
141 HB3 HIS 24 2HB HIS 24 -12.346 5.698 2.025
142 HD1 HIS 24 HD1 HIS 24 -13.465 6.893 0.067
143 HD2 HIS 24 HD2 HIS 24 -16.130 4.807 2.477
144 HE1 HIS 24 HE1 HIS 24 -15.754 7.642 -0.656
145 H ARG 25 H ARG 25 -12.990 4.905 -0.695
146 HA ARG 25 HA ARG 25 -10.445 4.012 -1.773
147 HB2 ARG 25 1HB ARG 25 -12.451 4.031 -3.205
148 HB3 ARG 25 2HB ARG 25 -12.577 5.773 -2.996
149 HG2 ARG 25 1HG ARG 25 -10.632 6.172 -4.250
150 HG3 ARG 25 2HG ARG 25 -10.137 4.480 -4.169
151 HD2 ARG 25 1HD ARG 25 -11.668 3.818 -5.760
152 HD3 ARG 25 2HD ARG 25 -12.739 5.183 -5.447
153 HE ARG 25 HE ARG 25 -10.535 6.364 -6.467
154 HH11 ARG 25 1HH1 ARG 25 -12.529 3.718 -7.537
155 HH12 ARG 25 2HH1 ARG 25 -12.243 4.012 -9.220
156 HH21 ARG 25 1HH2 ARG 25 -10.150 6.761 -8.679
157 HH22 ARG 25 2HH2 ARG 25 -10.889 5.743 -9.869
158 H GLN 26 H GLN 26 -12.061 7.156 -1.284
159 HA GLN 26 HA GLN 26 -10.044 8.867 -1.935
160 HB2 GLN 26 1HB GLN 26 -11.109 10.513 -0.636
161 HB3 GLN 26 2HB GLN 26 -12.397 9.408 -1.098
162 HG2 GLN 26 1HG GLN 26 -12.105 8.293 1.129
163 HG3 GLN 26 2HG GLN 26 -11.022 9.614 1.566
164 HE21 GLN 26 1HE2 GLN 26 -13.297 9.082 3.012
165 HE22 GLN 26 2HE2 GLN 26 -14.430 10.368 2.795
166 H SER 27 H SER 27 -10.477 7.214 1.171
167 HA SER 27 HA SER 27 -8.457 8.377 2.639
168 HB2 SER 27 1HB SER 27 -9.643 5.622 2.632
169 HB3 SER 27 2HB SER 27 -8.269 5.978 3.678
170 HG SER 27 HG SER 27 -9.512 7.152 4.917
171 H LEU 28 H LEU 28 -8.219 5.697 0.335
172 HA LEU 28 HA LEU 28 -5.470 5.183 0.738
173 HB2 LEU 28 1HB LEU 28 -6.867 3.534 -0.296
174 HB3 LEU 28 2HB LEU 28 -7.287 4.641 -1.601
175 HG LEU 28 HG LEU 28 -4.946 4.548 -2.388
176 HD11 LEU 28 1HD1 LEU 28 -3.361 3.814 -1.025
177 HD12 LEU 28 2HD1 LEU 28 -4.043 2.194 -1.155
178 HD13 LEU 28 3HD1 LEU 28 -4.563 3.267 0.144
179 HD21 LEU 28 3HD2 LEU 28 -5.088 1.962 -2.909
180 HD22 LEU 28 1HD2 LEU 28 -6.211 3.114 -3.633
181 HD23 LEU 28 2HD2 LEU 28 -6.707 2.159 -2.236
182 H SER 29 H SER 29 -7.209 7.225 -1.572
183 HA SER 29 HA SER 29 -5.021 7.998 -3.136
184 HB2 SER 29 1HB SER 29 -7.266 8.451 -3.893
185 HB3 SER 29 2HB SER 29 -7.587 9.466 -2.488
186 HG SER 29 HG SER 29 -5.959 9.987 -4.725
187 H VAL 30 H VAL 30 -6.538 9.727 -0.410
188 HA VAL 30 HA VAL 30 -4.650 11.806 -0.288
189 HB VAL 30 HB VAL 30 -6.373 10.694 1.933
190 HG11 VAL 30 1HG1 VAL 30 -5.960 13.395 2.376
191 HG12 VAL 30 2HG1 VAL 30 -5.207 12.062 3.252
192 HG13 VAL 30 3HG1 VAL 30 -4.377 12.797 1.881
193 HG21 VAL 30 3HG2 VAL 30 -8.111 11.826 1.092
194 HG22 VAL 30 1HG2 VAL 30 -7.123 13.236 0.713
195 HG23 VAL 30 2HG2 VAL 30 -7.186 11.877 -0.408
196 H HIS 31 H HIS 31 -4.655 8.573 1.025
197 HA HIS 31 HA HIS 31 -2.552 8.961 2.902
198 HB2 HIS 31 1HB HIS 31 -3.716 7.057 3.426
199 HB3 HIS 31 2HB HIS 31 -3.983 6.626 1.739
200 HD1 HIS 31 HD1 HIS 31 -1.188 6.604 4.307
201 HD2 HIS 31 HD2 HIS 31 -2.328 4.680 0.805
202 HE1 HIS 31 HE1 HIS 31 0.470 4.739 3.993
203 H GLN 32 H GLN 32 -2.598 7.336 -0.275
204 HA GLN 32 HA GLN 32 -0.004 6.676 -0.611
205 HB2 GLN 32 1HB GLN 32 -2.059 7.711 -2.509
206 HB3 GLN 32 2HB GLN 32 -0.407 7.536 -3.087
207 HG2 GLN 32 1HG GLN 32 -0.478 5.161 -2.318
208 HG3 GLN 32 2HG GLN 32 -2.194 5.385 -1.984
209 HE21 GLN 32 1HE2 GLN 32 -2.398 3.610 -3.530
210 HE22 GLN 32 2HE2 GLN 32 -2.452 3.980 -5.216
211 H ARG 33 H ARG 33 -1.310 9.907 -0.572
212 HA ARG 33 HA ARG 33 0.712 11.357 -1.780
213 HB2 ARG 33 1HB ARG 33 -0.902 12.129 0.659
214 HB3 ARG 33 2HB ARG 33 0.002 13.242 -0.360
215 HG2 ARG 33 1HG ARG 33 -1.499 12.206 -2.255
216 HG3 ARG 33 2HG ARG 33 -2.557 11.831 -0.893
217 HD2 ARG 33 1HD ARG 33 -1.451 14.572 -1.479
218 HD3 ARG 33 2HD ARG 33 -3.040 14.013 -2.001
219 HE ARG 33 HE ARG 33 -3.163 13.582 0.631
220 HH11 ARG 33 1HH1 ARG 33 -2.087 16.345 -1.193
221 HH12 ARG 33 2HH1 ARG 33 -2.545 17.490 0.024
222 HH21 ARG 33 1HH2 ARG 33 -3.769 15.080 2.241
223 HH22 ARG 33 2HH2 ARG 33 -3.500 16.769 1.977
224 H ILE 34 H ILE 34 0.493 10.248 1.583
225 HA ILE 34 HA ILE 34 2.633 11.449 2.748
226 HB ILE 34 HB ILE 34 2.781 9.662 4.283
227 HG12 ILE 34 1HG1 ILE 34 1.437 7.886 2.235
228 HG13 ILE 34 2HG1 ILE 34 3.160 7.880 2.590
229 HG21 ILE 34 1HG2 ILE 34 0.726 10.009 5.047
230 HG22 ILE 34 2HG2 ILE 34 0.303 10.691 3.478
231 HG23 ILE 34 3HG2 ILE 34 0.038 8.977 3.794
232 HD11 ILE 34 3HD1 ILE 34 0.882 6.917 4.253
233 HD12 ILE 34 1HD1 ILE 34 2.387 6.102 3.826
234 HD13 ILE 34 2HD1 ILE 34 2.395 7.403 5.018
235 H HIS 35 H HIS 35 2.709 9.146 0.182
236 HA HIS 35 HA HIS 35 5.518 8.518 0.534
237 HB2 HIS 35 1HB HIS 35 3.827 7.827 -1.863
238 HB3 HIS 35 2HB HIS 35 5.268 7.004 -1.273
239 HD1 HIS 35 HD1 HIS 35 4.657 6.335 1.544
240 HD2 HIS 35 HD2 HIS 35 1.755 6.161 -1.424
241 HE1 HIS 35 HE1 HIS 35 2.892 4.771 2.419
242 H SER 36 H SER 36 4.636 11.301 0.039
243 HA SER 36 HA SER 36 6.349 11.812 -2.292
244 HB2 SER 36 1HB SER 36 4.080 12.092 -3.098
245 HB3 SER 36 2HB SER 36 3.681 13.127 -1.727
246 HG SER 36 HG SER 36 5.266 14.607 -2.530
247 H GLY 37 H GLY 37 8.084 12.758 -1.429
248 HA2 GLY 37 1HA GLY 37 7.783 14.551 0.858
249 HA3 GLY 37 2HA GLY 37 9.297 13.933 0.212
250 H LYS 38 H LYS 38 10.272 15.956 0.153
251 HA LYS 38 HA LYS 38 9.189 17.790 -1.885
252 HB2 LYS 38 1HB LYS 38 10.714 18.443 0.641
253 HB3 LYS 38 2HB LYS 38 10.374 19.611 -0.629
254 HG2 LYS 38 1HG LYS 38 8.225 18.090 0.822
255 HG3 LYS 38 2HG LYS 38 8.829 19.662 1.349
256 HD2 LYS 38 1HD LYS 38 8.107 20.695 -0.686
257 HD3 LYS 38 2HD LYS 38 7.705 19.131 -1.398
258 HE2 LYS 38 1HE LYS 38 6.387 20.178 1.096
259 HE3 LYS 38 2HE LYS 38 5.766 20.509 -0.520
260 HZ1 LYS 38 3HZ LYS 38 6.320 17.723 0.118
261 HZ2 LYS 38 1HZ LYS 38 5.054 18.398 -0.779
262 HZ3 LYS 38 2HZ LYS 38 5.002 18.426 0.911
263 H LYS 39 H LYS 39 12.130 16.535 -0.359
264 HA LYS 39 HA LYS 39 14.109 17.692 -1.819
265 HB2 LYS 39 1HB LYS 39 13.848 14.824 -0.920
266 HB3 LYS 39 2HB LYS 39 15.324 15.467 -1.629
267 HG2 LYS 39 1HG LYS 39 15.796 16.774 0.195
268 HG3 LYS 39 2HG LYS 39 14.107 16.872 0.699
269 HD2 LYS 39 1HD LYS 39 14.148 14.631 1.521
270 HD3 LYS 39 2HD LYS 39 15.735 14.338 0.808
271 HE2 LYS 39 1HE LYS 39 15.383 16.538 2.799
272 HE3 LYS 39 2HE LYS 39 15.514 14.870 3.355
273 HZ1 LYS 39 3HZ LYS 39 17.611 14.738 2.030
274 HZ2 LYS 39 1HZ LYS 39 17.679 15.787 3.356
275 HZ3 LYS 39 2HZ LYS 39 17.508 16.410 1.793
276 HA PRO 40 HA PRO 40 13.459 16.647 -6.049
277 HB2 PRO 40 1HB PRO 40 15.986 17.031 -6.966
278 HB3 PRO 40 2HB PRO 40 14.907 18.364 -6.536
279 HG2 PRO 40 1HG PRO 40 17.118 17.126 -4.942
280 HG3 PRO 40 2HG PRO 40 16.713 18.840 -5.150
281 HD2 PRO 40 1HD PRO 40 16.015 17.435 -2.943
282 HD3 PRO 40 2HD PRO 40 15.022 18.759 -3.586
283 H SER 41 H SER 41 16.200 15.188 -4.342
284 HA SER 41 HA SER 41 17.084 13.264 -6.006
285 HB2 SER 41 1HB SER 41 17.516 13.704 -3.427
286 HB3 SER 41 2HB SER 41 16.399 12.351 -3.244
287 HG SER 41 HG SER 41 18.974 12.412 -4.307
288 H GLY 42 H GLY 42 16.563 11.065 -6.453
289 HA2 GLY 42 1HA GLY 42 14.167 9.813 -5.651
290 HA3 GLY 42 2HA GLY 42 13.902 10.618 -7.191
291 HA PRO 43 HA PRO 43 15.311 6.859 -9.029
292 HB2 PRO 43 1HB PRO 43 15.532 7.774 -11.575
293 HB3 PRO 43 2HB PRO 43 13.977 7.420 -10.813
294 HG2 PRO 43 1HG PRO 43 15.350 10.054 -11.180
295 HG3 PRO 43 2HG PRO 43 13.640 9.643 -11.407
296 HD2 PRO 43 1HD PRO 43 14.557 10.885 -9.183
297 HD3 PRO 43 2HD PRO 43 13.183 9.762 -9.151
298 H SER 44 H SER 44 17.148 9.531 -8.414
299 HA SER 44 HA SER 44 19.371 10.009 -8.488
300 HB2 SER 44 1HB SER 44 20.875 8.222 -8.182
301 HB3 SER 44 2HB SER 44 19.354 7.616 -7.528
302 HG SER 44 HG SER 44 20.815 6.503 -9.380
303 H SER 45 H SER 45 18.016 10.525 -10.830
304 HA SER 45 HA SER 45 20.026 9.850 -12.878
305 HB2 SER 45 1HB SER 45 17.041 10.216 -13.193
306 HB3 SER 45 2HB SER 45 18.164 10.141 -14.551
307 HG SER 45 HG SER 45 17.438 8.127 -12.726
308 H GLY 46 H GLY 46 20.230 11.483 -14.616
309 HA2 GLY 46 1HA GLY 46 20.751 14.034 -13.560
310 HA3 GLY 46 2HA GLY 46 20.712 13.629 -15.270
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -8.212 -21.734 18.652
2 HA2 GLY 1 1HA GLY 1 -6.675 -19.741 19.551
3 HA3 GLY 1 2HA GLY 1 -5.624 -20.447 18.332
4 H SER 2 H SER 2 -8.276 -18.385 18.934
5 HA SER 2 HA SER 2 -8.373 -17.684 16.104
6 HB2 SER 2 1HB SER 2 -10.744 -18.602 17.722
7 HB3 SER 2 2HB SER 2 -10.934 -17.560 16.311
8 HG SER 2 HG SER 2 -10.982 -20.009 16.094
9 H SER 3 H SER 3 -8.955 -15.555 15.703
10 HA SER 3 HA SER 3 -8.368 -13.685 17.716
11 HB2 SER 3 1HB SER 3 -9.181 -11.992 16.067
12 HB3 SER 3 2HB SER 3 -8.017 -13.128 15.387
13 HG SER 3 HG SER 3 -10.117 -14.323 14.825
14 H GLY 4 H GLY 4 -11.477 -14.568 16.219
15 HA2 GLY 4 1HA GLY 4 -13.585 -14.602 17.183
16 HA3 GLY 4 2HA GLY 4 -12.866 -14.059 18.693
17 H SER 5 H SER 5 -12.800 -12.554 15.480
18 HA SER 5 HA SER 5 -14.738 -10.571 16.096
19 HB2 SER 5 1HB SER 5 -12.651 -9.942 17.507
20 HB3 SER 5 2HB SER 5 -11.949 -9.451 15.965
21 HG SER 5 HG SER 5 -13.367 -7.943 17.416
22 H SER 6 H SER 6 -15.620 -10.412 14.148
23 HA SER 6 HA SER 6 -13.949 -10.573 11.763
24 HB2 SER 6 1HB SER 6 -16.075 -11.898 11.964
25 HB3 SER 6 2HB SER 6 -16.963 -10.375 11.926
26 HG SER 6 HG SER 6 -15.107 -10.797 9.901
27 H GLY 7 H GLY 7 -16.501 -8.432 13.044
28 HA2 GLY 7 1HA GLY 7 -16.689 -6.135 12.930
29 HA3 GLY 7 2HA GLY 7 -15.070 -6.082 12.249
30 H THR 8 H THR 8 -18.421 -5.928 11.609
31 HA THR 8 HA THR 8 -18.612 -6.579 8.928
32 HB THR 8 HB THR 8 -20.599 -6.047 10.178
33 HG1 THR 8 HG1 THR 8 -20.021 -4.959 7.799
34 HG21 THR 8 3HG2 THR 8 -19.602 -4.326 11.644
35 HG22 THR 8 1HG2 THR 8 -21.128 -3.801 10.933
36 HG23 THR 8 2HG2 THR 8 -19.601 -3.199 10.288
37 H GLY 9 H GLY 9 -17.987 -5.675 7.052
38 HA2 GLY 9 1HA GLY 9 -17.710 -3.290 6.060
39 HA3 GLY 9 2HA GLY 9 -16.399 -3.210 7.227
40 H GLU 10 H GLU 10 -16.359 -3.062 4.280
41 HA GLU 10 HA GLU 10 -14.541 -5.328 3.784
42 HB2 GLU 10 1HB GLU 10 -16.520 -4.008 1.937
43 HB3 GLU 10 2HB GLU 10 -15.170 -4.953 1.326
44 HG2 GLU 10 1HG GLU 10 -16.950 -6.447 1.361
45 HG3 GLU 10 2HG GLU 10 -16.031 -6.833 2.815
46 H LYS 11 H LYS 11 -12.658 -4.912 2.609
47 HA LYS 11 HA LYS 11 -12.043 -2.089 2.076
48 HB2 LYS 11 1HB LYS 11 -10.353 -4.049 3.630
49 HB3 LYS 11 2HB LYS 11 -9.723 -2.544 2.972
50 HG2 LYS 11 1HG LYS 11 -11.009 -1.236 4.414
51 HG3 LYS 11 2HG LYS 11 -12.095 -2.572 4.802
52 HD2 LYS 11 1HD LYS 11 -10.774 -2.444 6.699
53 HD3 LYS 11 2HD LYS 11 -9.958 -3.695 5.759
54 HE2 LYS 11 1HE LYS 11 -8.173 -2.385 6.351
55 HE3 LYS 11 2HE LYS 11 -8.611 -1.651 4.809
56 HZ1 LYS 11 3HZ LYS 11 -8.281 0.079 6.385
57 HZ2 LYS 11 1HZ LYS 11 -9.292 -0.662 7.522
58 HZ3 LYS 11 2HZ LYS 11 -9.946 -0.020 6.100
59 HA PRO 12 HA PRO 12 -10.996 -4.773 -1.548
60 HB2 PRO 12 1HB PRO 12 -12.008 -3.059 -3.394
61 HB3 PRO 12 2HB PRO 12 -12.994 -4.269 -2.563
62 HG2 PRO 12 1HG PRO 12 -12.699 -1.346 -1.988
63 HG3 PRO 12 2HG PRO 12 -14.168 -2.339 -2.009
64 HD2 PRO 12 1HD PRO 12 -12.911 -1.648 0.287
65 HD3 PRO 12 2HD PRO 12 -13.778 -3.186 0.099
66 H TYR 13 H TYR 13 -10.127 -1.736 -0.350
67 HA TYR 13 HA TYR 13 -8.160 -1.283 -2.481
68 HB2 TYR 13 1HB TYR 13 -8.801 0.591 -0.206
69 HB3 TYR 13 2HB TYR 13 -7.984 0.965 -1.719
70 HD1 TYR 13 HD1 TYR 13 -11.238 0.243 -0.160
71 HD2 TYR 13 HD2 TYR 13 -9.228 1.404 -3.726
72 HE1 TYR 13 HE1 TYR 13 -13.390 0.905 -1.150
73 HE2 TYR 13 HE2 TYR 13 -11.375 2.071 -4.725
74 HH TYR 13 HH TYR 13 -13.633 2.777 -3.935
75 H GLU 14 H GLU 14 -5.985 -1.265 -2.092
76 HA GLU 14 HA GLU 14 -4.925 -1.422 0.580
77 HB2 GLU 14 1HB GLU 14 -5.632 -3.757 0.177
78 HB3 GLU 14 2HB GLU 14 -4.621 -3.801 -1.261
79 HG2 GLU 14 1HG GLU 14 -2.695 -3.201 0.330
80 HG3 GLU 14 2HG GLU 14 -3.797 -3.698 1.612
81 H CYS 15 H CYS 15 -3.287 -0.048 0.438
82 HA CYS 15 HA CYS 15 -2.025 0.774 -1.904
83 HB2 CYS 15 1HB CYS 15 -2.017 1.730 0.571
84 HB3 CYS 15 2HB CYS 15 -0.502 0.839 0.661
85 H SER 16 H SER 16 0.042 0.357 -2.768
86 HA SER 16 HA SER 16 1.071 -2.326 -2.120
87 HB2 SER 16 1HB SER 16 1.898 -2.414 -4.437
88 HB3 SER 16 2HB SER 16 0.156 -2.141 -4.393
89 HG SER 16 HG SER 16 1.336 -0.763 -5.871
90 H VAL 17 H VAL 17 2.121 0.874 -3.276
91 HA VAL 17 HA VAL 17 4.801 0.722 -3.250
92 HB VAL 17 HB VAL 17 4.846 3.057 -2.253
93 HG11 VAL 17 1HG1 VAL 17 2.942 2.576 -4.544
94 HG12 VAL 17 2HG1 VAL 17 3.824 4.068 -4.211
95 HG13 VAL 17 3HG1 VAL 17 4.701 2.606 -4.666
96 HG21 VAL 17 3HG2 VAL 17 2.035 2.311 -1.765
97 HG22 VAL 17 1HG2 VAL 17 3.079 3.437 -0.899
98 HG23 VAL 17 2HG2 VAL 17 2.303 3.933 -2.403
99 H CYS 18 H CYS 18 2.784 0.999 -0.348
100 HA CYS 18 HA CYS 18 5.152 0.325 1.271
101 HB2 CYS 18 1HB CYS 18 4.140 1.488 3.129
102 HB3 CYS 18 2HB CYS 18 4.164 2.564 1.736
103 H GLY 19 H GLY 19 1.687 -0.234 0.825
104 HA2 GLY 19 1HA GLY 19 0.803 -2.467 0.943
105 HA3 GLY 19 2HA GLY 19 2.040 -2.850 2.131
106 H LYS 20 H LYS 20 -0.791 -0.753 1.652
107 HA LYS 20 HA LYS 20 -1.468 -1.201 4.484
108 HB2 LYS 20 1HB LYS 20 -0.633 1.167 3.757
109 HB3 LYS 20 2HB LYS 20 -2.243 1.326 3.068
110 HG2 LYS 20 1HG LYS 20 -3.262 1.399 5.103
111 HG3 LYS 20 2HG LYS 20 -2.020 0.418 5.885
112 HD2 LYS 20 1HD LYS 20 -0.464 2.390 5.597
113 HD3 LYS 20 2HD LYS 20 -1.883 3.331 5.132
114 HE2 LYS 20 1HE LYS 20 -2.897 2.490 7.344
115 HE3 LYS 20 2HE LYS 20 -1.241 2.067 7.775
116 HZ1 LYS 20 3HZ LYS 20 -1.391 4.179 8.598
117 HZ2 LYS 20 1HZ LYS 20 -2.438 4.717 7.383
118 HZ3 LYS 20 2HZ LYS 20 -0.792 4.514 7.051
119 H ALA 21 H ALA 21 -3.887 -0.453 4.813
120 HA ALA 21 HA ALA 21 -5.527 -1.326 2.544
121 HB1 ALA 21 3HB ALA 21 -5.437 -2.572 5.263
122 HB2 ALA 21 1HB ALA 21 -6.920 -2.608 4.309
123 HB3 ALA 21 2HB ALA 21 -5.447 -3.345 3.678
124 H PHE 22 H PHE 22 -7.611 -0.483 2.490
125 HA PHE 22 HA PHE 22 -8.444 1.294 4.650
126 HB2 PHE 22 1HB PHE 22 -8.267 2.227 1.778
127 HB3 PHE 22 2HB PHE 22 -8.851 3.167 3.148
128 HD1 PHE 22 HD1 PHE 22 -5.888 1.727 1.534
129 HD2 PHE 22 HD2 PHE 22 -7.336 4.189 4.689
130 HE1 PHE 22 HE1 PHE 22 -3.604 2.550 1.934
131 HE2 PHE 22 HE2 PHE 22 -5.055 5.018 5.094
132 HZ PHE 22 HZ PHE 22 -3.186 4.199 3.715
133 H SER 23 H SER 23 -10.694 2.172 4.199
134 HA SER 23 HA SER 23 -12.303 -0.004 3.059
135 HB2 SER 23 1HB SER 23 -12.501 0.958 5.526
136 HB3 SER 23 2HB SER 23 -13.522 2.153 4.727
137 HG SER 23 HG SER 23 -14.909 0.564 5.210
138 H HIS 24 H HIS 24 -11.698 3.433 2.882
139 HA HIS 24 HA HIS 24 -13.578 3.602 0.618
140 HB2 HIS 24 1HB HIS 24 -13.468 6.150 1.235
141 HB3 HIS 24 2HB HIS 24 -14.532 5.070 2.130
142 HD1 HIS 24 HD1 HIS 24 -12.531 7.769 2.842
143 HD2 HIS 24 HD2 HIS 24 -12.678 3.932 4.428
144 HE1 HIS 24 HE1 HIS 24 -11.471 7.940 5.117
145 H ARG 25 H ARG 25 -12.776 4.215 -1.297
146 HA ARG 25 HA ARG 25 -10.127 4.177 -1.943
147 HB2 ARG 25 1HB ARG 25 -11.753 4.106 -3.686
148 HB3 ARG 25 2HB ARG 25 -12.392 5.684 -3.245
149 HG2 ARG 25 1HG ARG 25 -11.110 5.946 -5.228
150 HG3 ARG 25 2HG ARG 25 -10.197 6.672 -3.903
151 HD2 ARG 25 1HD ARG 25 -8.538 5.472 -4.920
152 HD3 ARG 25 2HD ARG 25 -9.127 4.270 -3.772
153 HE ARG 25 HE ARG 25 -9.941 3.026 -5.528
154 HH11 ARG 25 1HH1 ARG 25 -9.008 6.184 -6.655
155 HH12 ARG 25 2HH1 ARG 25 -9.160 5.774 -8.331
156 HH21 ARG 25 1HH2 ARG 25 -10.144 2.473 -7.731
157 HH22 ARG 25 2HH2 ARG 25 -9.806 3.663 -8.942
158 H GLN 26 H GLN 26 -12.041 7.027 -1.056
159 HA GLN 26 HA GLN 26 -10.207 9.028 -1.506
160 HB2 GLN 26 1HB GLN 26 -12.562 9.338 -0.735
161 HB3 GLN 26 2HB GLN 26 -12.053 8.868 0.881
162 HG2 GLN 26 1HG GLN 26 -10.382 10.789 0.723
163 HG3 GLN 26 2HG GLN 26 -11.323 11.325 -0.668
164 HE21 GLN 26 1HE2 GLN 26 -12.403 13.048 0.002
165 HE22 GLN 26 2HE2 GLN 26 -13.391 13.129 1.417
166 H SER 27 H SER 27 -10.473 6.908 1.316
167 HA SER 27 HA SER 27 -8.528 8.116 2.916
168 HB2 SER 27 1HB SER 27 -10.208 6.086 3.328
169 HB3 SER 27 2HB SER 27 -8.765 5.144 2.959
170 HG SER 27 HG SER 27 -9.360 6.167 5.252
171 H LEU 28 H LEU 28 -8.205 5.453 0.580
172 HA LEU 28 HA LEU 28 -5.471 4.995 0.911
173 HB2 LEU 28 1HB LEU 28 -6.817 3.430 -0.287
174 HB3 LEU 28 2HB LEU 28 -7.264 4.646 -1.482
175 HG LEU 28 HG LEU 28 -5.001 4.648 -2.363
176 HD11 LEU 28 1HD1 LEU 28 -4.311 2.381 -0.527
177 HD12 LEU 28 2HD1 LEU 28 -4.002 4.058 -0.077
178 HD13 LEU 28 3HD1 LEU 28 -3.241 3.377 -1.515
179 HD21 LEU 28 3HD2 LEU 28 -6.860 2.645 -2.652
180 HD22 LEU 28 1HD2 LEU 28 -5.374 1.759 -2.308
181 HD23 LEU 28 2HD2 LEU 28 -5.435 2.885 -3.664
182 H SER 29 H SER 29 -7.173 7.197 -1.285
183 HA SER 29 HA SER 29 -4.949 8.120 -2.707
184 HB2 SER 29 1HB SER 29 -7.534 9.538 -2.025
185 HB3 SER 29 2HB SER 29 -6.360 10.120 -3.205
186 HG SER 29 HG SER 29 -8.243 8.162 -3.441
187 H VAL 30 H VAL 30 -6.615 9.722 0.013
188 HA VAL 30 HA VAL 30 -4.797 11.789 0.386
189 HB VAL 30 HB VAL 30 -6.441 10.401 2.508
190 HG11 VAL 30 1HG1 VAL 30 -6.304 12.682 3.600
191 HG12 VAL 30 2HG1 VAL 30 -4.825 11.720 3.617
192 HG13 VAL 30 3HG1 VAL 30 -5.004 13.043 2.464
193 HG21 VAL 30 3HG2 VAL 30 -7.467 12.935 1.644
194 HG22 VAL 30 1HG2 VAL 30 -7.261 11.866 0.256
195 HG23 VAL 30 2HG2 VAL 30 -8.246 11.352 1.626
196 H HIS 31 H HIS 31 -4.373 8.471 0.933
197 HA HIS 31 HA HIS 31 -2.292 8.832 2.941
198 HB2 HIS 31 1HB HIS 31 -3.518 6.923 3.446
199 HB3 HIS 31 2HB HIS 31 -3.694 6.465 1.754
200 HD1 HIS 31 HD1 HIS 31 -1.049 6.548 4.468
201 HD2 HIS 31 HD2 HIS 31 -1.884 4.621 0.883
202 HE1 HIS 31 HE1 HIS 31 0.707 4.762 4.240
203 H GLN 32 H GLN 32 -2.493 7.094 -0.172
204 HA GLN 32 HA GLN 32 0.110 6.600 -0.677
205 HB2 GLN 32 1HB GLN 32 -2.168 7.339 -2.447
206 HB3 GLN 32 2HB GLN 32 -0.560 7.294 -3.159
207 HG2 GLN 32 1HG GLN 32 -0.389 4.956 -2.107
208 HG3 GLN 32 2HG GLN 32 -2.141 5.066 -1.943
209 HE21 GLN 32 1HE2 GLN 32 -2.928 3.751 -3.440
210 HE22 GLN 32 2HE2 GLN 32 -2.520 3.779 -5.119
211 H ARG 33 H ARG 33 -1.499 9.719 -1.071
212 HA ARG 33 HA ARG 33 0.353 11.202 -2.402
213 HB2 ARG 33 1HB ARG 33 -0.513 13.144 -1.314
214 HB3 ARG 33 2HB ARG 33 -1.843 12.006 -1.483
215 HG2 ARG 33 1HG ARG 33 -1.462 11.311 0.876
216 HG3 ARG 33 2HG ARG 33 -0.268 12.604 1.010
217 HD2 ARG 33 1HD ARG 33 -3.087 13.126 0.114
218 HD3 ARG 33 2HD ARG 33 -2.643 13.094 1.820
219 HE ARG 33 HE ARG 33 -0.997 14.831 0.228
220 HH11 ARG 33 1HH1 ARG 33 -3.950 14.559 2.052
221 HH12 ARG 33 2HH1 ARG 33 -4.066 16.259 2.366
222 HH21 ARG 33 1HH2 ARG 33 -1.139 17.071 0.634
223 HH22 ARG 33 2HH2 ARG 33 -2.467 17.687 1.558
224 H ILE 34 H ILE 34 0.439 10.310 1.022
225 HA ILE 34 HA ILE 34 2.550 11.801 1.932
226 HB ILE 34 HB ILE 34 2.866 10.234 3.650
227 HG12 ILE 34 1HG1 ILE 34 1.691 8.141 1.807
228 HG13 ILE 34 2HG1 ILE 34 3.388 8.292 2.249
229 HG21 ILE 34 1HG2 ILE 34 0.257 10.893 2.797
230 HG22 ILE 34 2HG2 ILE 34 0.205 9.242 3.414
231 HG23 ILE 34 3HG2 ILE 34 0.815 10.545 4.433
232 HD11 ILE 34 3HD1 ILE 34 1.102 7.589 4.070
233 HD12 ILE 34 1HD1 ILE 34 2.394 6.524 3.517
234 HD13 ILE 34 2HD1 ILE 34 2.760 7.866 4.602
235 H HIS 35 H HIS 35 2.648 8.923 -0.083
236 HA HIS 35 HA HIS 35 5.477 8.572 0.068
237 HB2 HIS 35 1HB HIS 35 3.695 7.583 -2.156
238 HB3 HIS 35 2HB HIS 35 5.205 6.882 -1.581
239 HD1 HIS 35 HD1 HIS 35 4.748 6.539 1.352
240 HD2 HIS 35 HD2 HIS 35 1.777 5.816 -1.461
241 HE1 HIS 35 HE1 HIS 35 3.125 4.981 2.475
242 H SER 36 H SER 36 3.354 10.526 -1.846
243 HA SER 36 HA SER 36 5.267 11.048 -3.932
244 HB2 SER 36 1HB SER 36 2.608 12.301 -3.227
245 HB3 SER 36 2HB SER 36 3.591 12.830 -4.592
246 HG SER 36 HG SER 36 2.485 10.250 -4.177
247 H GLY 37 H GLY 37 7.002 11.648 -2.389
248 HA2 GLY 37 1HA GLY 37 8.423 13.429 -1.881
249 HA3 GLY 37 2HA GLY 37 7.082 14.539 -2.125
250 H LYS 38 H LYS 38 8.854 12.648 0.148
251 HA LYS 38 HA LYS 38 7.243 13.813 2.320
252 HB2 LYS 38 1HB LYS 38 7.671 11.794 3.658
253 HB3 LYS 38 2HB LYS 38 6.772 11.425 2.192
254 HG2 LYS 38 1HG LYS 38 8.285 9.739 2.124
255 HG3 LYS 38 2HG LYS 38 9.205 10.968 1.253
256 HD2 LYS 38 1HD LYS 38 10.541 11.449 3.121
257 HD3 LYS 38 2HD LYS 38 9.426 10.650 4.232
258 HE2 LYS 38 1HE LYS 38 9.996 8.537 2.791
259 HE3 LYS 38 2HE LYS 38 11.433 9.465 2.366
260 HZ1 LYS 38 3HZ LYS 38 10.578 8.814 5.135
261 HZ2 LYS 38 1HZ LYS 38 11.981 9.651 4.697
262 HZ3 LYS 38 2HZ LYS 38 11.804 8.022 4.281
263 H LYS 39 H LYS 39 10.371 12.954 1.066
264 HA LYS 39 HA LYS 39 11.710 14.928 2.558
265 HB2 LYS 39 1HB LYS 39 11.268 13.159 4.339
266 HB3 LYS 39 2HB LYS 39 12.399 12.135 3.464
267 HG2 LYS 39 1HG LYS 39 14.103 13.957 3.731
268 HG3 LYS 39 2HG LYS 39 12.964 14.762 4.813
269 HD2 LYS 39 1HD LYS 39 13.633 11.903 5.315
270 HD3 LYS 39 2HD LYS 39 14.822 13.136 5.741
271 HE2 LYS 39 1HE LYS 39 11.952 13.299 6.621
272 HE3 LYS 39 2HE LYS 39 13.171 12.428 7.551
273 HZ1 LYS 39 3HZ LYS 39 12.989 14.629 8.410
274 HZ2 LYS 39 1HZ LYS 39 13.171 15.318 6.876
275 HZ3 LYS 39 2HZ LYS 39 14.472 14.519 7.604
276 HA PRO 40 HA PRO 40 14.423 14.195 -0.846
277 HB2 PRO 40 1HB PRO 40 16.460 15.808 -0.059
278 HB3 PRO 40 2HB PRO 40 14.939 16.430 -0.709
279 HG2 PRO 40 1HG PRO 40 15.822 16.186 2.141
280 HG3 PRO 40 2HG PRO 40 14.983 17.527 1.341
281 HD2 PRO 40 1HD PRO 40 13.693 15.718 2.889
282 HD3 PRO 40 2HD PRO 40 12.927 16.495 1.488
283 H SER 41 H SER 41 14.854 13.045 2.235
284 HA SER 41 HA SER 41 17.407 12.374 2.707
285 HB2 SER 41 1HB SER 41 15.669 11.535 4.141
286 HB3 SER 41 2HB SER 41 15.005 10.541 2.845
287 HG SER 41 HG SER 41 17.672 10.122 3.504
288 H GLY 42 H GLY 42 15.346 10.246 0.708
289 HA2 GLY 42 1HA GLY 42 17.762 9.580 -0.857
290 HA3 GLY 42 2HA GLY 42 16.624 8.344 -0.342
291 HA PRO 43 HA PRO 43 15.503 9.764 -4.633
292 HB2 PRO 43 1HB PRO 43 15.369 7.269 -5.695
293 HB3 PRO 43 2HB PRO 43 16.868 8.203 -5.623
294 HG2 PRO 43 1HG PRO 43 15.907 6.022 -3.812
295 HG3 PRO 43 2HG PRO 43 17.528 6.289 -4.479
296 HD2 PRO 43 1HD PRO 43 16.863 6.982 -1.948
297 HD3 PRO 43 2HD PRO 43 18.049 7.891 -2.906
298 H SER 44 H SER 44 13.498 10.376 -3.606
299 HA SER 44 HA SER 44 11.443 8.267 -3.747
300 HB2 SER 44 1HB SER 44 11.869 9.119 -1.436
301 HB3 SER 44 2HB SER 44 11.382 10.724 -1.980
302 HG SER 44 HG SER 44 9.432 10.095 -1.557
303 H SER 45 H SER 45 10.748 8.616 -5.817
304 HA SER 45 HA SER 45 10.008 11.321 -6.630
305 HB2 SER 45 1HB SER 45 11.260 9.529 -8.086
306 HB3 SER 45 2HB SER 45 9.634 8.910 -8.373
307 HG SER 45 HG SER 45 10.555 11.546 -8.888
308 H GLY 46 H GLY 46 7.903 11.598 -7.787
309 HA2 GLY 46 1HA GLY 46 5.759 9.786 -7.277
310 HA3 GLY 46 2HA GLY 46 5.745 11.123 -6.137
Start of MODEL 7
1 H1 GLY 1 H GLY 1 5.398 -22.298 0.072
2 HA2 GLY 1 1HA GLY 1 6.463 -22.083 2.604
3 HA3 GLY 1 2HA GLY 1 6.173 -20.429 2.087
4 H SER 2 H SER 2 4.716 -23.455 2.999
5 HA SER 2 HA SER 2 2.031 -22.850 2.448
6 HB2 SER 2 1HB SER 2 3.218 -24.623 4.595
7 HB3 SER 2 2HB SER 2 1.511 -24.593 4.152
8 HG SER 2 HG SER 2 3.667 -25.235 2.418
9 H SER 3 H SER 3 0.797 -21.299 3.248
10 HA SER 3 HA SER 3 1.049 -20.574 6.074
11 HB2 SER 3 1HB SER 3 1.274 -18.688 3.736
12 HB3 SER 3 2HB SER 3 0.736 -18.126 5.319
13 HG SER 3 HG SER 3 2.727 -19.070 6.142
14 H GLY 4 H GLY 4 -0.876 -20.609 7.022
15 HA2 GLY 4 1HA GLY 4 -3.273 -20.736 5.378
16 HA3 GLY 4 2HA GLY 4 -3.174 -21.042 7.105
17 H SER 5 H SER 5 -2.450 -18.273 4.975
18 HA SER 5 HA SER 5 -3.694 -16.504 6.938
19 HB2 SER 5 1HB SER 5 -2.207 -15.760 4.410
20 HB3 SER 5 2HB SER 5 -2.639 -14.687 5.740
21 HG SER 5 HG SER 5 -1.065 -15.503 6.939
22 H SER 6 H SER 6 -5.864 -17.210 6.496
23 HA SER 6 HA SER 6 -7.127 -17.165 4.023
24 HB2 SER 6 1HB SER 6 -8.118 -16.779 6.834
25 HB3 SER 6 2HB SER 6 -9.223 -16.621 5.469
26 HG SER 6 HG SER 6 -7.590 -18.866 5.489
27 H GLY 7 H GLY 7 -7.081 -15.521 2.630
28 HA2 GLY 7 1HA GLY 7 -8.119 -12.938 3.497
29 HA3 GLY 7 2HA GLY 7 -6.485 -12.942 2.851
30 H THR 8 H THR 8 -9.819 -13.866 2.072
31 HA THR 8 HA THR 8 -9.204 -13.840 -0.774
32 HB THR 8 HB THR 8 -11.669 -14.430 -0.993
33 HG1 THR 8 HG1 THR 8 -12.768 -14.950 0.853
34 HG21 THR 8 3HG2 THR 8 -10.726 -16.438 -1.218
35 HG22 THR 8 1HG2 THR 8 -10.967 -16.683 0.511
36 HG23 THR 8 2HG2 THR 8 -9.443 -16.021 -0.082
37 H GLY 9 H GLY 9 -11.355 -12.145 1.501
38 HA2 GLY 9 1HA GLY 9 -11.402 -9.889 -0.400
39 HA3 GLY 9 2HA GLY 9 -12.883 -10.453 0.359
40 H GLU 10 H GLU 10 -9.580 -9.597 1.411
41 HA GLU 10 HA GLU 10 -10.327 -8.754 3.978
42 HB2 GLU 10 1HB GLU 10 -8.124 -7.548 3.967
43 HB3 GLU 10 2HB GLU 10 -8.032 -9.253 3.549
44 HG2 GLU 10 1HG GLU 10 -8.246 -8.286 1.097
45 HG3 GLU 10 2HG GLU 10 -7.566 -6.856 1.871
46 H LYS 11 H LYS 11 -9.460 -6.734 1.167
47 HA LYS 11 HA LYS 11 -11.553 -4.853 1.789
48 HB2 LYS 11 1HB LYS 11 -8.718 -4.323 2.478
49 HB3 LYS 11 2HB LYS 11 -9.589 -3.013 1.691
50 HG2 LYS 11 1HG LYS 11 -11.276 -3.053 3.432
51 HG3 LYS 11 2HG LYS 11 -10.469 -4.420 4.205
52 HD2 LYS 11 1HD LYS 11 -8.430 -2.947 4.406
53 HD3 LYS 11 2HD LYS 11 -9.453 -1.600 3.900
54 HE2 LYS 11 1HE LYS 11 -9.666 -1.402 6.161
55 HE3 LYS 11 2HE LYS 11 -10.994 -2.518 5.846
56 HZ1 LYS 11 3HZ LYS 11 -8.385 -3.039 7.084
57 HZ2 LYS 11 1HZ LYS 11 -9.146 -4.290 6.237
58 HZ3 LYS 11 2HZ LYS 11 -9.922 -3.566 7.554
59 HA PRO 12 HA PRO 12 -11.355 -4.341 -2.576
60 HB2 PRO 12 1HB PRO 12 -12.659 -1.970 -2.806
61 HB3 PRO 12 2HB PRO 12 -13.483 -3.487 -2.425
62 HG2 PRO 12 1HG PRO 12 -12.613 -1.291 -0.586
63 HG3 PRO 12 2HG PRO 12 -14.134 -2.203 -0.599
64 HD2 PRO 12 1HD PRO 12 -12.119 -2.754 1.124
65 HD3 PRO 12 2HD PRO 12 -13.207 -4.007 0.495
66 H TYR 13 H TYR 13 -9.705 -2.376 -0.394
67 HA TYR 13 HA TYR 13 -8.066 -1.285 -2.553
68 HB2 TYR 13 1HB TYR 13 -8.894 0.481 -0.258
69 HB3 TYR 13 2HB TYR 13 -8.121 0.944 -1.769
70 HD1 TYR 13 HD2 TYR 13 -9.457 0.842 -3.900
71 HD2 TYR 13 HD1 TYR 13 -11.248 0.401 -0.066
72 HE1 TYR 13 HE2 TYR 13 -11.658 1.343 -4.877
73 HE2 TYR 13 HE1 TYR 13 -13.454 0.900 -1.032
74 HH TYR 13 HH TYR 13 -14.579 0.841 -3.180
75 H GLU 14 H GLU 14 -5.975 -1.585 -2.158
76 HA GLU 14 HA GLU 14 -4.954 -1.522 0.562
77 HB2 GLU 14 1HB GLU 14 -5.491 -3.837 0.440
78 HB3 GLU 14 2HB GLU 14 -4.847 -3.972 -1.190
79 HG2 GLU 14 1HG GLU 14 -2.598 -3.319 -0.112
80 HG3 GLU 14 2HG GLU 14 -3.378 -3.767 1.403
81 H CYS 15 H CYS 15 -3.313 -0.152 0.429
82 HA CYS 15 HA CYS 15 -2.027 0.683 -1.876
83 HB2 CYS 15 1HB CYS 15 -1.990 1.573 0.621
84 HB3 CYS 15 2HB CYS 15 -0.492 0.650 0.685
85 H SER 16 H SER 16 0.053 0.275 -2.738
86 HA SER 16 HA SER 16 1.071 -2.425 -2.140
87 HB2 SER 16 1HB SER 16 0.037 -2.188 -4.392
88 HB3 SER 16 2HB SER 16 1.226 -0.944 -4.776
89 HG SER 16 HG SER 16 2.695 -2.433 -5.059
90 H VAL 17 H VAL 17 2.021 0.813 -3.247
91 HA VAL 17 HA VAL 17 4.735 0.617 -3.336
92 HB VAL 17 HB VAL 17 4.762 3.005 -2.390
93 HG11 VAL 17 1HG1 VAL 17 3.792 3.918 -4.450
94 HG12 VAL 17 2HG1 VAL 17 4.805 2.509 -4.771
95 HG13 VAL 17 3HG1 VAL 17 3.048 2.355 -4.786
96 HG21 VAL 17 3HG2 VAL 17 2.057 2.229 -1.790
97 HG22 VAL 17 1HG2 VAL 17 2.937 3.682 -1.316
98 HG23 VAL 17 2HG2 VAL 17 2.074 3.635 -2.853
99 H CYS 18 H CYS 18 2.721 0.823 -0.454
100 HA CYS 18 HA CYS 18 5.117 0.280 1.174
101 HB2 CYS 18 1HB CYS 18 4.154 1.544 2.993
102 HB3 CYS 18 2HB CYS 18 4.181 2.557 1.554
103 H GLY 19 H GLY 19 1.702 -0.344 0.632
104 HA2 GLY 19 1HA GLY 19 0.736 -2.491 0.922
105 HA3 GLY 19 2HA GLY 19 2.002 -2.875 2.079
106 H LYS 20 H LYS 20 -0.924 -0.951 1.604
107 HA LYS 20 HA LYS 20 -1.495 -1.266 4.466
108 HB2 LYS 20 1HB LYS 20 -0.593 1.074 3.730
109 HB3 LYS 20 2HB LYS 20 -2.208 1.290 3.069
110 HG2 LYS 20 1HG LYS 20 -3.185 1.410 5.119
111 HG3 LYS 20 2HG LYS 20 -1.984 0.362 5.876
112 HD2 LYS 20 1HD LYS 20 -0.362 2.146 5.880
113 HD3 LYS 20 2HD LYS 20 -1.457 3.192 4.972
114 HE2 LYS 20 1HE LYS 20 -3.054 2.671 7.020
115 HE3 LYS 20 2HE LYS 20 -1.516 2.394 7.836
116 HZ1 LYS 20 3HZ LYS 20 -2.677 4.872 6.858
117 HZ2 LYS 20 1HZ LYS 20 -1.010 4.699 6.624
118 HZ3 LYS 20 2HZ LYS 20 -1.659 4.600 8.182
119 H ALA 21 H ALA 21 -3.893 -0.318 4.787
120 HA ALA 21 HA ALA 21 -5.595 -1.180 2.567
121 HB1 ALA 21 3HB ALA 21 -6.574 -2.132 5.146
122 HB2 ALA 21 1HB ALA 21 -6.484 -2.957 3.589
123 HB3 ALA 21 2HB ALA 21 -5.066 -2.892 4.637
124 H PHE 22 H PHE 22 -7.668 -0.280 2.561
125 HA PHE 22 HA PHE 22 -8.439 1.509 4.715
126 HB2 PHE 22 1HB PHE 22 -8.150 2.559 1.895
127 HB3 PHE 22 2HB PHE 22 -8.653 3.468 3.316
128 HD1 PHE 22 HD1 PHE 22 -5.822 1.911 1.587
129 HD2 PHE 22 HD2 PHE 22 -7.052 4.258 4.918
130 HE1 PHE 22 HE1 PHE 22 -3.479 2.530 2.012
131 HE2 PHE 22 HE2 PHE 22 -4.711 4.881 5.348
132 HZ PHE 22 HZ PHE 22 -2.921 4.017 3.894
133 H SER 23 H SER 23 -10.619 1.778 4.879
134 HA SER 23 HA SER 23 -12.249 0.123 3.121
135 HB2 SER 23 1HB SER 23 -12.553 1.260 5.853
136 HB3 SER 23 2HB SER 23 -14.027 1.000 4.922
137 HG SER 23 HG SER 23 -12.102 -1.039 5.083
138 H HIS 24 H HIS 24 -11.181 2.592 2.083
139 HA HIS 24 HA HIS 24 -13.500 3.624 0.852
140 HB2 HIS 24 1HB HIS 24 -13.284 4.694 3.311
141 HB3 HIS 24 2HB HIS 24 -12.255 5.813 2.422
142 HD1 HIS 24 HD1 HIS 24 -13.396 7.334 0.665
143 HD2 HIS 24 HD2 HIS 24 -16.014 4.860 2.735
144 HE1 HIS 24 HE1 HIS 24 -15.695 8.218 0.162
145 H ARG 25 H ARG 25 -12.712 3.867 -1.128
146 HA ARG 25 HA ARG 25 -10.170 3.995 -2.004
147 HB2 ARG 25 1HB ARG 25 -12.483 4.117 -3.278
148 HB3 ARG 25 2HB ARG 25 -12.105 5.833 -3.345
149 HG2 ARG 25 1HG ARG 25 -9.847 5.104 -4.308
150 HG3 ARG 25 2HG ARG 25 -10.618 3.537 -4.562
151 HD2 ARG 25 1HD ARG 25 -12.222 4.454 -6.030
152 HD3 ARG 25 2HD ARG 25 -11.826 6.104 -5.553
153 HE ARG 25 HE ARG 25 -9.558 4.855 -6.674
154 HH11 ARG 25 1HH1 ARG 25 -12.654 6.175 -7.563
155 HH12 ARG 25 2HH1 ARG 25 -12.160 6.595 -9.170
156 HH21 ARG 25 1HH2 ARG 25 -8.895 5.404 -8.787
157 HH22 ARG 25 2HH2 ARG 25 -10.022 6.155 -9.865
158 H GLN 26 H GLN 26 -12.126 6.885 -1.271
159 HA GLN 26 HA GLN 26 -10.333 8.869 -1.800
160 HB2 GLN 26 1HB GLN 26 -12.669 9.187 -0.984
161 HB3 GLN 26 2HB GLN 26 -12.117 8.792 0.638
162 HG2 GLN 26 1HG GLN 26 -10.892 10.755 0.836
163 HG3 GLN 26 2HG GLN 26 -10.857 11.021 -0.906
164 HE21 GLN 26 1HE2 GLN 26 -11.774 12.670 1.427
165 HE22 GLN 26 2HE2 GLN 26 -13.374 13.166 1.005
166 H SER 27 H SER 27 -10.631 7.162 1.315
167 HA SER 27 HA SER 27 -8.625 8.391 2.724
168 HB2 SER 27 1HB SER 27 -10.256 6.377 3.311
169 HB3 SER 27 2HB SER 27 -8.820 5.420 2.947
170 HG SER 27 HG SER 27 -8.567 5.875 5.041
171 H LEU 28 H LEU 28 -8.259 5.494 0.680
172 HA LEU 28 HA LEU 28 -5.558 5.075 0.947
173 HB2 LEU 28 1HB LEU 28 -6.852 3.503 -0.255
174 HB3 LEU 28 2HB LEU 28 -7.372 4.717 -1.422
175 HG LEU 28 HG LEU 28 -5.152 4.782 -2.392
176 HD11 LEU 28 1HD1 LEU 28 -4.446 2.768 -0.264
177 HD12 LEU 28 2HD1 LEU 28 -3.803 4.401 -0.436
178 HD13 LEU 28 3HD1 LEU 28 -3.428 3.174 -1.646
179 HD21 LEU 28 3HD2 LEU 28 -6.668 2.257 -2.166
180 HD22 LEU 28 1HD2 LEU 28 -5.046 2.143 -2.848
181 HD23 LEU 28 2HD2 LEU 28 -6.241 3.205 -3.591
182 H SER 29 H SER 29 -7.200 7.326 -1.235
183 HA SER 29 HA SER 29 -4.962 8.192 -2.671
184 HB2 SER 29 1HB SER 29 -7.529 9.626 -1.967
185 HB3 SER 29 2HB SER 29 -6.328 10.271 -3.086
186 HG SER 29 HG SER 29 -7.692 7.795 -3.356
187 H VAL 30 H VAL 30 -6.559 9.842 0.062
188 HA VAL 30 HA VAL 30 -4.653 11.832 0.434
189 HB VAL 30 HB VAL 30 -6.363 10.531 2.558
190 HG11 VAL 30 1HG1 VAL 30 -4.824 11.785 3.751
191 HG12 VAL 30 2HG1 VAL 30 -4.707 13.022 2.499
192 HG13 VAL 30 3HG1 VAL 30 -6.145 12.930 3.517
193 HG21 VAL 30 3HG2 VAL 30 -7.461 12.982 1.861
194 HG22 VAL 30 1HG2 VAL 30 -7.004 12.253 0.321
195 HG23 VAL 30 2HG2 VAL 30 -8.078 11.389 1.421
196 H HIS 31 H HIS 31 -4.385 8.500 0.991
197 HA HIS 31 HA HIS 31 -2.326 8.754 3.032
198 HB2 HIS 31 1HB HIS 31 -3.592 6.870 3.484
199 HB3 HIS 31 2HB HIS 31 -3.803 6.474 1.781
200 HD1 HIS 31 HD1 HIS 31 -1.130 6.360 4.466
201 HD2 HIS 31 HD2 HIS 31 -2.082 4.584 0.833
202 HE1 HIS 31 HE1 HIS 31 0.546 4.510 4.162
203 H GLN 32 H GLN 32 -2.535 7.167 -0.160
204 HA GLN 32 HA GLN 32 0.113 6.625 -0.574
205 HB2 GLN 32 1HB GLN 32 -2.097 7.375 -2.456
206 HB3 GLN 32 2HB GLN 32 -0.468 7.123 -3.071
207 HG2 GLN 32 1HG GLN 32 -0.553 4.869 -1.885
208 HG3 GLN 32 2HG GLN 32 -2.287 5.151 -1.736
209 HE21 GLN 32 1HE2 GLN 32 -3.090 6.147 -4.017
210 HE22 GLN 32 2HE2 GLN 32 -2.726 5.111 -5.350
211 H ARG 33 H ARG 33 -1.528 9.712 -0.929
212 HA ARG 33 HA ARG 33 0.275 11.210 -2.332
213 HB2 ARG 33 1HB ARG 33 -0.653 13.129 -1.332
214 HB3 ARG 33 2HB ARG 33 -1.942 11.933 -1.289
215 HG2 ARG 33 1HG ARG 33 -1.262 11.430 1.073
216 HG3 ARG 33 2HG ARG 33 -0.189 12.828 0.983
217 HD2 ARG 33 1HD ARG 33 -3.077 13.105 0.263
218 HD3 ARG 33 2HD ARG 33 -2.589 13.092 1.957
219 HE ARG 33 HE ARG 33 -1.622 15.168 1.676
220 HH11 ARG 33 1HH1 ARG 33 -2.571 13.857 -1.407
221 HH12 ARG 33 2HH1 ARG 33 -2.331 15.345 -2.260
222 HH21 ARG 33 1HH2 ARG 33 -1.303 17.133 0.563
223 HH22 ARG 33 2HH2 ARG 33 -1.609 17.208 -1.139
224 H ILE 34 H ILE 34 0.556 10.052 0.958
225 HA ILE 34 HA ILE 34 2.611 11.662 1.906
226 HB ILE 34 HB ILE 34 3.038 10.028 3.549
227 HG12 ILE 34 1HG1 ILE 34 1.758 7.989 1.714
228 HG13 ILE 34 2HG1 ILE 34 3.485 8.151 2.012
229 HG21 ILE 34 1HG2 ILE 34 0.338 10.592 2.759
230 HG22 ILE 34 2HG2 ILE 34 0.426 9.011 3.532
231 HG23 ILE 34 3HG2 ILE 34 1.019 10.440 4.378
232 HD11 ILE 34 3HD1 ILE 34 2.706 6.345 3.324
233 HD12 ILE 34 1HD1 ILE 34 3.009 7.687 4.427
234 HD13 ILE 34 2HD1 ILE 34 1.357 7.294 3.949
235 H HIS 35 H HIS 35 2.732 8.845 -0.195
236 HA HIS 35 HA HIS 35 5.574 8.583 -0.140
237 HB2 HIS 35 1HB HIS 35 3.835 7.592 -2.383
238 HB3 HIS 35 2HB HIS 35 5.309 6.880 -1.734
239 HD1 HIS 35 HD1 HIS 35 4.852 6.287 1.054
240 HD2 HIS 35 HD2 HIS 35 1.722 6.090 -1.671
241 HE1 HIS 35 HE1 HIS 35 3.124 4.804 2.121
242 H SER 36 H SER 36 3.299 10.420 -2.034
243 HA SER 36 HA SER 36 4.849 11.014 -4.271
244 HB2 SER 36 1HB SER 36 2.802 12.743 -2.862
245 HB3 SER 36 2HB SER 36 3.433 13.047 -4.480
246 HG SER 36 HG SER 36 2.228 10.586 -3.799
247 H GLY 37 H GLY 37 6.863 11.770 -4.244
248 HA2 GLY 37 1HA GLY 37 7.419 14.145 -2.595
249 HA3 GLY 37 2HA GLY 37 8.518 12.775 -2.545
250 H LYS 38 H LYS 38 9.959 12.450 -4.197
251 HA LYS 38 HA LYS 38 10.482 14.736 -5.872
252 HB2 LYS 38 1HB LYS 38 12.415 13.276 -6.666
253 HB3 LYS 38 2HB LYS 38 12.413 13.727 -4.966
254 HG2 LYS 38 1HG LYS 38 11.678 11.569 -4.306
255 HG3 LYS 38 2HG LYS 38 11.343 11.105 -5.976
256 HD2 LYS 38 1HD LYS 38 14.099 11.876 -5.057
257 HD3 LYS 38 2HD LYS 38 13.496 10.222 -4.920
258 HE2 LYS 38 1HE LYS 38 13.194 10.069 -7.289
259 HE3 LYS 38 2HE LYS 38 13.544 11.785 -7.497
260 HZ1 LYS 38 3HZ LYS 38 15.410 10.247 -8.052
261 HZ2 LYS 38 1HZ LYS 38 15.506 9.846 -6.411
262 HZ3 LYS 38 2HZ LYS 38 15.797 11.435 -6.912
263 H LYS 39 H LYS 39 9.614 15.036 -7.804
264 HA LYS 39 HA LYS 39 7.837 13.623 -9.179
265 HB2 LYS 39 1HB LYS 39 9.125 15.816 -9.813
266 HB3 LYS 39 2HB LYS 39 10.111 14.732 -10.786
267 HG2 LYS 39 1HG LYS 39 7.159 14.560 -11.059
268 HG3 LYS 39 2HG LYS 39 7.990 15.946 -11.771
269 HD2 LYS 39 1HD LYS 39 9.584 14.107 -12.740
270 HD3 LYS 39 2HD LYS 39 8.205 13.044 -12.448
271 HE2 LYS 39 1HE LYS 39 6.839 14.219 -13.939
272 HE3 LYS 39 2HE LYS 39 7.893 15.632 -13.932
273 HZ1 LYS 39 3HZ LYS 39 9.597 14.032 -14.963
274 HZ2 LYS 39 1HZ LYS 39 8.357 14.631 -15.946
275 HZ3 LYS 39 2HZ LYS 39 8.260 13.061 -15.325
276 HA PRO 40 HA PRO 40 10.195 9.774 -9.731
277 HB2 PRO 40 1HB PRO 40 7.985 8.220 -9.998
278 HB3 PRO 40 2HB PRO 40 8.631 8.710 -8.427
279 HG2 PRO 40 1HG PRO 40 6.352 9.870 -9.984
280 HG3 PRO 40 2HG PRO 40 6.462 9.529 -8.247
281 HD2 PRO 40 1HD PRO 40 6.794 12.015 -9.267
282 HD3 PRO 40 2HD PRO 40 7.650 11.456 -7.816
283 H SER 41 H SER 41 7.218 10.530 -11.554
284 HA SER 41 HA SER 41 7.762 9.037 -13.826
285 HB2 SER 41 1HB SER 41 6.238 10.645 -15.006
286 HB3 SER 41 2HB SER 41 5.578 10.008 -13.500
287 HG SER 41 HG SER 41 6.445 11.997 -12.526
288 H GLY 42 H GLY 42 8.611 9.572 -15.881
289 HA2 GLY 42 1HA GLY 42 9.878 12.040 -16.457
290 HA3 GLY 42 2HA GLY 42 11.066 10.881 -15.879
291 HA PRO 43 HA PRO 43 11.477 9.457 -20.015
292 HB2 PRO 43 1HB PRO 43 12.535 7.004 -19.528
293 HB3 PRO 43 2HB PRO 43 13.453 8.503 -19.333
294 HG2 PRO 43 1HG PRO 43 12.084 6.836 -17.257
295 HG3 PRO 43 2HG PRO 43 13.679 7.608 -17.199
296 HD2 PRO 43 1HD PRO 43 11.501 8.672 -15.992
297 HD3 PRO 43 2HD PRO 43 12.800 9.673 -16.672
298 H SER 44 H SER 44 9.219 9.322 -20.505
299 HA SER 44 HA SER 44 7.366 7.478 -19.793
300 HB2 SER 44 1HB SER 44 7.903 8.859 -22.395
301 HB3 SER 44 2HB SER 44 6.637 7.634 -22.320
302 HG SER 44 HG SER 44 6.758 10.151 -21.140
303 H SER 45 H SER 45 9.683 7.049 -22.467
304 HA SER 45 HA SER 45 9.253 4.142 -22.243
305 HB2 SER 45 1HB SER 45 8.619 5.464 -24.428
306 HB3 SER 45 2HB SER 45 10.354 5.389 -24.735
307 HG SER 45 HG SER 45 9.049 3.038 -23.979
308 H GLY 46 H GLY 46 10.898 3.293 -21.138
309 HA2 GLY 46 1HA GLY 46 13.560 3.450 -22.154
310 HA3 GLY 46 2HA GLY 46 13.388 4.385 -20.676
Start of MODEL 8
1 H1 GLY 1 H GLY 1 9.844 -25.672 13.770
2 HA2 GLY 1 1HA GLY 1 8.872 -23.584 13.267
3 HA3 GLY 1 2HA GLY 1 8.804 -24.419 11.722
4 H SER 2 H SER 2 7.036 -22.577 13.701
5 HA SER 2 HA SER 2 4.515 -23.786 12.783
6 HB2 SER 2 1HB SER 2 4.900 -24.141 15.246
7 HB3 SER 2 2HB SER 2 4.863 -22.389 15.444
8 HG SER 2 HG SER 2 2.756 -22.363 15.026
9 H SER 3 H SER 3 3.156 -22.436 11.772
10 HA SER 3 HA SER 3 3.094 -19.618 12.267
11 HB2 SER 3 1HB SER 3 4.570 -20.691 9.901
12 HB3 SER 3 2HB SER 3 3.613 -19.223 9.697
13 HG SER 3 HG SER 3 5.765 -18.761 10.318
14 H GLY 4 H GLY 4 1.221 -18.693 11.540
15 HA2 GLY 4 1HA GLY 4 -0.370 -19.383 9.418
16 HA3 GLY 4 2HA GLY 4 -0.856 -20.481 10.701
17 H SER 5 H SER 5 -1.517 -17.582 9.277
18 HA SER 5 HA SER 5 -3.299 -16.823 11.418
19 HB2 SER 5 1HB SER 5 -0.949 -15.107 10.631
20 HB3 SER 5 2HB SER 5 -2.404 -14.415 11.349
21 HG SER 5 HG SER 5 -2.063 -15.945 13.101
22 H SER 6 H SER 6 -4.917 -15.345 10.761
23 HA SER 6 HA SER 6 -4.937 -14.270 8.098
24 HB2 SER 6 1HB SER 6 -6.754 -15.556 7.198
25 HB3 SER 6 2HB SER 6 -5.533 -16.697 7.761
26 HG SER 6 HG SER 6 -6.840 -17.362 9.301
27 H GLY 7 H GLY 7 -5.742 -12.317 8.480
28 HA2 GLY 7 1HA GLY 7 -7.670 -11.916 10.625
29 HA3 GLY 7 2HA GLY 7 -6.864 -10.659 9.697
30 H THR 8 H THR 8 -9.365 -13.161 9.478
31 HA THR 8 HA THR 8 -10.534 -12.692 7.092
32 HB THR 8 HB THR 8 -12.152 -12.919 9.634
33 HG1 THR 8 HG1 THR 8 -11.962 -15.251 9.042
34 HG21 THR 8 3HG2 THR 8 -13.929 -13.254 8.322
35 HG22 THR 8 1HG2 THR 8 -13.053 -14.407 7.316
36 HG23 THR 8 2HG2 THR 8 -12.943 -12.680 6.977
37 H GLY 9 H GLY 9 -11.484 -11.055 6.051
38 HA2 GLY 9 1HA GLY 9 -13.187 -9.238 6.281
39 HA3 GLY 9 2HA GLY 9 -12.225 -8.674 7.640
40 H GLU 10 H GLU 10 -11.542 -9.655 4.276
41 HA GLU 10 HA GLU 10 -9.456 -7.742 3.988
42 HB2 GLU 10 1HB GLU 10 -9.527 -9.839 2.698
43 HB3 GLU 10 2HB GLU 10 -10.969 -9.275 1.866
44 HG2 GLU 10 1HG GLU 10 -9.768 -7.554 0.765
45 HG3 GLU 10 2HG GLU 10 -8.345 -7.816 1.772
46 H LYS 11 H LYS 11 -9.436 -6.031 2.331
47 HA LYS 11 HA LYS 11 -12.058 -4.701 2.120
48 HB2 LYS 11 1HB LYS 11 -9.332 -3.450 2.503
49 HB3 LYS 11 2HB LYS 11 -10.811 -2.548 2.198
50 HG2 LYS 11 1HG LYS 11 -10.539 -4.404 4.538
51 HG3 LYS 11 2HG LYS 11 -10.018 -2.718 4.606
52 HD2 LYS 11 1HD LYS 11 -12.369 -2.145 3.781
53 HD3 LYS 11 2HD LYS 11 -12.788 -3.810 4.191
54 HE2 LYS 11 1HE LYS 11 -11.701 -3.222 6.486
55 HE3 LYS 11 2HE LYS 11 -11.984 -1.556 5.983
56 HZ1 LYS 11 3HZ LYS 11 -13.791 -2.658 7.335
57 HZ2 LYS 11 1HZ LYS 11 -14.134 -3.590 5.965
58 HZ3 LYS 11 2HZ LYS 11 -14.285 -1.906 5.902
59 HA PRO 12 HA PRO 12 -11.538 -4.522 -2.236
60 HB2 PRO 12 1HB PRO 12 -12.799 -2.189 -2.816
61 HB3 PRO 12 2HB PRO 12 -13.663 -3.653 -2.332
62 HG2 PRO 12 1HG PRO 12 -12.904 -1.269 -0.687
63 HG3 PRO 12 2HG PRO 12 -14.429 -2.174 -0.709
64 HD2 PRO 12 1HD PRO 12 -12.547 -2.536 1.205
65 HD3 PRO 12 2HD PRO 12 -13.600 -3.849 0.640
66 H TYR 13 H TYR 13 -10.012 -2.353 -0.169
67 HA TYR 13 HA TYR 13 -8.338 -1.366 -2.373
68 HB2 TYR 13 1HB TYR 13 -9.111 0.320 0.011
69 HB3 TYR 13 2HB TYR 13 -8.218 0.832 -1.417
70 HD1 TYR 13 HD2 TYR 13 -9.401 1.030 -3.601
71 HD2 TYR 13 HD1 TYR 13 -11.489 0.270 0.028
72 HE1 TYR 13 HE2 TYR 13 -11.505 1.716 -4.674
73 HE2 TYR 13 HE1 TYR 13 -13.599 0.953 -1.036
74 HH TYR 13 HH TYR 13 -13.887 1.415 -4.415
75 H GLU 14 H GLU 14 -6.179 -1.407 -2.011
76 HA GLU 14 HA GLU 14 -5.080 -1.600 0.642
77 HB2 GLU 14 1HB GLU 14 -5.868 -3.952 -0.007
78 HB3 GLU 14 2HB GLU 14 -4.567 -3.934 -1.189
79 HG2 GLU 14 1HG GLU 14 -2.913 -3.895 0.448
80 HG3 GLU 14 2HG GLU 14 -4.036 -3.367 1.700
81 H CYS 15 H CYS 15 -3.495 -0.163 0.452
82 HA CYS 15 HA CYS 15 -2.240 0.608 -1.919
83 HB2 CYS 15 1HB CYS 15 -2.289 1.669 0.511
84 HB3 CYS 15 2HB CYS 15 -0.752 0.823 0.660
85 H SER 16 H SER 16 -0.364 0.033 -2.932
86 HA SER 16 HA SER 16 0.820 -2.513 -2.069
87 HB2 SER 16 1HB SER 16 1.531 -2.815 -4.368
88 HB3 SER 16 2HB SER 16 -0.185 -2.409 -4.352
89 HG SER 16 HG SER 16 1.730 -1.179 -5.658
90 H VAL 17 H VAL 17 1.716 0.676 -3.356
91 HA VAL 17 HA VAL 17 4.414 0.591 -3.424
92 HB VAL 17 HB VAL 17 4.379 2.980 -2.494
93 HG11 VAL 17 1HG1 VAL 17 3.944 3.739 -4.583
94 HG12 VAL 17 2HG1 VAL 17 3.965 2.015 -4.956
95 HG13 VAL 17 3HG1 VAL 17 2.429 2.847 -4.711
96 HG21 VAL 17 3HG2 VAL 17 1.803 2.140 -1.687
97 HG22 VAL 17 1HG2 VAL 17 2.549 3.725 -1.483
98 HG23 VAL 17 2HG2 VAL 17 1.588 3.381 -2.921
99 H CYS 18 H CYS 18 2.438 0.811 -0.508
100 HA CYS 18 HA CYS 18 4.873 0.358 1.091
101 HB2 CYS 18 1HB CYS 18 3.703 1.478 2.963
102 HB3 CYS 18 2HB CYS 18 3.933 2.546 1.582
103 H GLY 19 H GLY 19 1.450 -0.404 0.688
104 HA2 GLY 19 1HA GLY 19 0.793 -2.741 0.910
105 HA3 GLY 19 2HA GLY 19 1.917 -2.862 2.256
106 H LYS 20 H LYS 20 0.126 0.037 2.146
107 HA LYS 20 HA LYS 20 -1.194 -0.577 4.606
108 HB2 LYS 20 1HB LYS 20 -0.353 1.723 3.580
109 HB3 LYS 20 2HB LYS 20 -1.998 1.778 2.961
110 HG2 LYS 20 1HG LYS 20 -2.313 2.856 4.930
111 HG3 LYS 20 2HG LYS 20 -2.574 1.198 5.478
112 HD2 LYS 20 1HD LYS 20 0.189 2.319 5.528
113 HD3 LYS 20 2HD LYS 20 -0.956 2.812 6.778
114 HE2 LYS 20 1HE LYS 20 -1.389 0.255 7.004
115 HE3 LYS 20 2HE LYS 20 0.171 0.103 6.196
116 HZ1 LYS 20 3HZ LYS 20 -0.115 1.843 8.557
117 HZ2 LYS 20 1HZ LYS 20 1.272 1.087 7.951
118 HZ3 LYS 20 2HZ LYS 20 0.093 0.176 8.751
119 H ALA 21 H ALA 21 -3.534 -0.340 4.938
120 HA ALA 21 HA ALA 21 -5.117 -1.158 2.596
121 HB1 ALA 21 3HB ALA 21 -6.189 -2.338 4.970
122 HB2 ALA 21 1HB ALA 21 -5.621 -3.121 3.495
123 HB3 ALA 21 2HB ALA 21 -4.490 -2.782 4.806
124 H PHE 22 H PHE 22 -7.197 -0.375 2.485
125 HA PHE 22 HA PHE 22 -8.199 1.244 4.703
126 HB2 PHE 22 1HB PHE 22 -8.041 2.298 1.873
127 HB3 PHE 22 2HB PHE 22 -8.670 3.150 3.279
128 HD1 PHE 22 HD1 PHE 22 -5.654 1.977 1.573
129 HD2 PHE 22 HD2 PHE 22 -7.194 4.127 4.908
130 HE1 PHE 22 HE1 PHE 22 -3.413 2.893 2.013
131 HE2 PHE 22 HE2 PHE 22 -4.955 5.046 5.353
132 HZ PHE 22 HZ PHE 22 -3.062 4.431 3.904
133 H SER 23 H SER 23 -10.485 2.048 4.163
134 HA SER 23 HA SER 23 -11.948 -0.216 3.008
135 HB2 SER 23 1HB SER 23 -12.457 0.423 5.355
136 HB3 SER 23 2HB SER 23 -12.977 2.009 4.786
137 HG SER 23 HG SER 23 -14.419 -0.182 4.952
138 H HIS 24 H HIS 24 -11.658 3.293 2.854
139 HA HIS 24 HA HIS 24 -13.321 3.262 0.421
140 HB2 HIS 24 1HB HIS 24 -13.299 5.883 1.138
141 HB3 HIS 24 2HB HIS 24 -14.556 4.742 1.606
142 HD1 HIS 24 HD1 HIS 24 -12.093 7.021 2.992
143 HD2 HIS 24 HD2 HIS 24 -14.099 3.619 4.280
144 HE1 HIS 24 HE1 HIS 24 -11.854 7.007 5.495
145 H ARG 25 H ARG 25 -12.479 4.043 -1.431
146 HA ARG 25 HA ARG 25 -9.739 4.262 -1.798
147 HB2 ARG 25 1HB ARG 25 -11.614 3.943 -3.536
148 HB3 ARG 25 2HB ARG 25 -11.714 5.698 -3.554
149 HG2 ARG 25 1HG ARG 25 -9.664 5.944 -4.555
150 HG3 ARG 25 2HG ARG 25 -9.068 4.395 -3.957
151 HD2 ARG 25 1HD ARG 25 -10.171 3.190 -5.599
152 HD3 ARG 25 2HD ARG 25 -11.341 4.475 -5.896
153 HE ARG 25 HE ARG 25 -8.853 4.117 -7.205
154 HH11 ARG 25 1HH1 ARG 25 -10.996 6.577 -5.987
155 HH12 ARG 25 2HH1 ARG 25 -10.464 7.781 -7.113
156 HH21 ARG 25 1HH2 ARG 25 -8.144 5.695 -8.692
157 HH22 ARG 25 2HH2 ARG 25 -8.843 7.278 -8.652
158 H GLN 26 H GLN 26 -12.080 6.694 -0.904
159 HA GLN 26 HA GLN 26 -10.680 9.019 -1.492
160 HB2 GLN 26 1HB GLN 26 -13.073 8.615 -0.476
161 HB3 GLN 26 2HB GLN 26 -12.235 8.825 1.055
162 HG2 GLN 26 1HG GLN 26 -13.327 10.872 0.017
163 HG3 GLN 26 2HG GLN 26 -11.664 11.032 0.581
164 HE21 GLN 26 1HE2 GLN 26 -13.758 10.892 -2.181
165 HE22 GLN 26 2HE2 GLN 26 -12.601 11.433 -3.344
166 H SER 27 H SER 27 -10.573 7.037 1.454
167 HA SER 27 HA SER 27 -8.651 8.665 2.770
168 HB2 SER 27 1HB SER 27 -9.906 6.015 3.246
169 HB3 SER 27 2HB SER 27 -8.359 6.312 4.039
170 HG SER 27 HG SER 27 -10.385 8.252 4.172
171 H LEU 28 H LEU 28 -8.455 5.845 0.682
172 HA LEU 28 HA LEU 28 -5.727 5.259 1.104
173 HB2 LEU 28 1HB LEU 28 -6.960 3.560 0.103
174 HB3 LEU 28 2HB LEU 28 -7.689 4.652 -1.072
175 HG LEU 28 HG LEU 28 -5.516 4.798 -2.237
176 HD11 LEU 28 1HD1 LEU 28 -3.903 4.387 -0.601
177 HD12 LEU 28 2HD1 LEU 28 -3.864 2.947 -1.617
178 HD13 LEU 28 3HD1 LEU 28 -4.693 2.906 -0.061
179 HD21 LEU 28 3HD2 LEU 28 -5.577 2.051 -2.546
180 HD22 LEU 28 1HD2 LEU 28 -6.538 3.228 -3.442
181 HD23 LEU 28 2HD2 LEU 28 -7.208 2.452 -2.007
182 H SER 29 H SER 29 -7.386 7.306 -1.260
183 HA SER 29 HA SER 29 -5.200 7.966 -2.858
184 HB2 SER 29 1HB SER 29 -7.623 8.505 -3.318
185 HB3 SER 29 2HB SER 29 -7.477 9.834 -2.168
186 HG SER 29 HG SER 29 -5.947 9.488 -4.536
187 H VAL 30 H VAL 30 -6.614 10.032 -0.314
188 HA VAL 30 HA VAL 30 -4.644 11.943 -0.187
189 HB VAL 30 HB VAL 30 -6.253 10.837 2.118
190 HG11 VAL 30 1HG1 VAL 30 -5.839 13.214 3.007
191 HG12 VAL 30 2HG1 VAL 30 -4.533 12.034 3.142
192 HG13 VAL 30 3HG1 VAL 30 -4.495 13.252 1.866
193 HG21 VAL 30 3HG2 VAL 30 -6.954 12.433 -0.162
194 HG22 VAL 30 1HG2 VAL 30 -7.987 11.806 1.122
195 HG23 VAL 30 2HG2 VAL 30 -7.181 13.362 1.319
196 H HIS 31 H HIS 31 -4.624 8.708 1.137
197 HA HIS 31 HA HIS 31 -2.378 9.057 2.848
198 HB2 HIS 31 1HB HIS 31 -3.531 7.179 3.473
199 HB3 HIS 31 2HB HIS 31 -3.952 6.755 1.816
200 HD1 HIS 31 HD1 HIS 31 -1.019 6.587 4.203
201 HD2 HIS 31 HD2 HIS 31 -2.365 4.839 0.682
202 HE1 HIS 31 HE1 HIS 31 0.575 4.698 3.738
203 H GLN 32 H GLN 32 -2.698 7.426 -0.311
204 HA GLN 32 HA GLN 32 -0.147 6.707 -0.830
205 HB2 GLN 32 1HB GLN 32 -2.176 7.937 -2.686
206 HB3 GLN 32 2HB GLN 32 -0.633 7.320 -3.262
207 HG2 GLN 32 1HG GLN 32 -1.242 5.118 -2.224
208 HG3 GLN 32 2HG GLN 32 -2.851 5.781 -1.944
209 HE21 GLN 32 1HE2 GLN 32 -4.227 6.098 -3.666
210 HE22 GLN 32 2HE2 GLN 32 -3.923 5.452 -5.239
211 H ARG 33 H ARG 33 -1.336 9.941 -0.564
212 HA ARG 33 HA ARG 33 0.581 11.368 -1.989
213 HB2 ARG 33 1HB ARG 33 -0.694 12.204 0.621
214 HB3 ARG 33 2HB ARG 33 0.004 13.266 -0.594
215 HG2 ARG 33 1HG ARG 33 -1.728 12.575 -2.183
216 HG3 ARG 33 2HG ARG 33 -2.436 11.537 -0.944
217 HD2 ARG 33 1HD ARG 33 -3.619 13.676 -1.126
218 HD3 ARG 33 2HD ARG 33 -2.873 13.471 0.458
219 HE ARG 33 HE ARG 33 -1.012 14.849 -0.960
220 HH11 ARG 33 1HH1 ARG 33 -4.391 15.335 -0.277
221 HH12 ARG 33 2HH1 ARG 33 -4.287 17.064 -0.334
222 HH21 ARG 33 1HH2 ARG 33 -0.863 17.123 -1.037
223 HH22 ARG 33 2HH2 ARG 33 -2.280 18.080 -0.767
224 H ILE 34 H ILE 34 0.649 10.221 1.367
225 HA ILE 34 HA ILE 34 2.917 11.367 2.336
226 HB ILE 34 HB ILE 34 3.181 9.539 3.826
227 HG12 ILE 34 1HG1 ILE 34 1.495 7.867 1.952
228 HG13 ILE 34 2HG1 ILE 34 3.250 7.775 2.063
229 HG21 ILE 34 1HG2 ILE 34 0.425 8.955 3.802
230 HG22 ILE 34 2HG2 ILE 34 1.275 10.145 4.786
231 HG23 ILE 34 3HG2 ILE 34 0.603 10.612 3.224
232 HD11 ILE 34 3HD1 ILE 34 2.747 7.332 4.595
233 HD12 ILE 34 1HD1 ILE 34 1.174 6.838 3.969
234 HD13 ILE 34 2HD1 ILE 34 2.640 6.036 3.404
235 H HIS 35 H HIS 35 2.695 9.082 -0.236
236 HA HIS 35 HA HIS 35 5.504 8.372 -0.147
237 HB2 HIS 35 1HB HIS 35 3.590 7.757 -2.391
238 HB3 HIS 35 2HB HIS 35 5.047 6.883 -1.930
239 HD1 HIS 35 HD1 HIS 35 4.648 6.217 0.930
240 HD2 HIS 35 HD2 HIS 35 1.513 6.147 -1.795
241 HE1 HIS 35 HE1 HIS 35 2.914 4.702 1.940
242 H SER 36 H SER 36 4.629 11.186 -0.554
243 HA SER 36 HA SER 36 5.684 11.681 -3.251
244 HB2 SER 36 1HB SER 36 3.556 12.748 -2.898
245 HB3 SER 36 2HB SER 36 4.099 13.441 -1.370
246 HG SER 36 HG SER 36 4.553 14.282 -3.956
247 H GLY 37 H GLY 37 7.442 13.017 -3.593
248 HA2 GLY 37 1HA GLY 37 8.716 14.473 -1.491
249 HA3 GLY 37 2HA GLY 37 9.546 12.959 -1.816
250 H LYS 38 H LYS 38 10.121 15.945 -2.271
251 HA LYS 38 HA LYS 38 10.240 16.479 -5.009
252 HB2 LYS 38 1HB LYS 38 10.651 18.104 -3.123
253 HB3 LYS 38 2HB LYS 38 12.254 17.398 -2.953
254 HG2 LYS 38 1HG LYS 38 12.607 19.288 -4.256
255 HG3 LYS 38 2HG LYS 38 12.560 17.972 -5.431
256 HD2 LYS 38 1HD LYS 38 10.284 18.506 -6.012
257 HD3 LYS 38 2HD LYS 38 10.203 19.720 -4.733
258 HE2 LYS 38 1HE LYS 38 12.225 19.883 -6.946
259 HE3 LYS 38 2HE LYS 38 10.596 20.531 -7.131
260 HZ1 LYS 38 3HZ LYS 38 12.525 21.318 -5.013
261 HZ2 LYS 38 1HZ LYS 38 10.974 21.959 -5.231
262 HZ3 LYS 38 2HZ LYS 38 12.169 22.222 -6.399
263 H LYS 39 H LYS 39 12.843 15.256 -2.896
264 HA LYS 39 HA LYS 39 14.773 14.826 -4.822
265 HB2 LYS 39 1HB LYS 39 15.825 13.322 -3.282
266 HB3 LYS 39 2HB LYS 39 15.072 14.608 -2.346
267 HG2 LYS 39 1HG LYS 39 13.283 13.187 -1.683
268 HG3 LYS 39 2HG LYS 39 13.790 11.927 -2.811
269 HD2 LYS 39 1HD LYS 39 15.518 12.905 -0.546
270 HD3 LYS 39 2HD LYS 39 14.401 11.547 -0.391
271 HE2 LYS 39 1HE LYS 39 15.614 10.616 -2.474
272 HE3 LYS 39 2HE LYS 39 16.874 11.781 -2.069
273 HZ1 LYS 39 3HZ LYS 39 17.586 9.970 -0.910
274 HZ2 LYS 39 1HZ LYS 39 16.027 9.379 -0.621
275 HZ3 LYS 39 2HZ LYS 39 16.617 10.685 0.278
276 HA PRO 40 HA PRO 40 13.398 11.502 -7.344
277 HB2 PRO 40 1HB PRO 40 15.772 10.359 -7.998
278 HB3 PRO 40 2HB PRO 40 15.238 11.909 -8.658
279 HG2 PRO 40 1HG PRO 40 17.132 11.362 -6.405
280 HG3 PRO 40 2HG PRO 40 17.267 12.547 -7.717
281 HD2 PRO 40 1HD PRO 40 16.456 13.221 -5.223
282 HD3 PRO 40 2HD PRO 40 15.859 14.046 -6.677
283 H SER 41 H SER 41 12.350 9.810 -6.511
284 HA SER 41 HA SER 41 13.479 8.228 -4.378
285 HB2 SER 41 1HB SER 41 11.100 8.735 -4.324
286 HB3 SER 41 2HB SER 41 10.872 7.968 -5.895
287 HG SER 41 HG SER 41 10.894 6.069 -4.973
288 H GLY 42 H GLY 42 14.502 6.332 -4.551
289 HA2 GLY 42 1HA GLY 42 15.211 4.319 -5.441
290 HA3 GLY 42 2HA GLY 42 14.066 4.542 -6.756
291 HA PRO 43 HA PRO 43 18.301 4.976 -8.539
292 HB2 PRO 43 1HB PRO 43 17.742 3.553 -10.783
293 HB3 PRO 43 2HB PRO 43 18.259 2.798 -9.271
294 HG2 PRO 43 1HG PRO 43 15.500 3.090 -10.395
295 HG3 PRO 43 2HG PRO 43 16.246 1.685 -9.611
296 HD2 PRO 43 1HD PRO 43 14.547 3.346 -8.313
297 HD3 PRO 43 2HD PRO 43 15.886 2.517 -7.492
298 H SER 44 H SER 44 18.911 5.861 -10.696
299 HA SER 44 HA SER 44 16.903 7.822 -11.559
300 HB2 SER 44 1HB SER 44 18.745 9.169 -12.357
301 HB3 SER 44 2HB SER 44 19.103 8.658 -10.707
302 HG SER 44 HG SER 44 20.003 6.923 -12.635
303 H SER 45 H SER 45 16.039 7.739 -13.530
304 HA SER 45 HA SER 45 15.440 6.804 -15.536
305 HB2 SER 45 1HB SER 45 17.253 6.943 -17.245
306 HB3 SER 45 2HB SER 45 17.103 8.408 -16.274
307 HG SER 45 HG SER 45 18.979 6.326 -15.820
308 H GLY 46 H GLY 46 15.779 4.823 -13.622
309 HA2 GLY 46 1HA GLY 46 16.265 2.584 -13.331
310 HA3 GLY 46 2HA GLY 46 15.762 2.489 -15.012
Start of MODEL 9
1 H1 GLY 1 H GLY 1 2.612 -4.061 18.541
2 HA2 GLY 1 1HA GLY 1 4.629 -4.821 17.084
3 HA3 GLY 1 2HA GLY 1 5.383 -5.026 18.658
4 H SER 2 H SER 2 3.500 -6.154 20.191
5 HA SER 2 HA SER 2 3.593 -8.830 19.620
6 HB2 SER 2 1HB SER 2 1.784 -7.172 21.328
7 HB3 SER 2 2HB SER 2 1.393 -8.875 21.090
8 HG SER 2 HG SER 2 3.016 -7.973 22.847
9 H SER 3 H SER 3 2.115 -10.362 18.808
10 HA SER 3 HA SER 3 0.756 -9.548 16.454
11 HB2 SER 3 1HB SER 3 1.839 -11.819 16.928
12 HB3 SER 3 2HB SER 3 0.378 -12.202 17.839
13 HG SER 3 HG SER 3 0.367 -12.855 15.582
14 H GLY 4 H GLY 4 -1.570 -10.366 16.055
15 HA2 GLY 4 1HA GLY 4 -3.544 -10.745 17.852
16 HA3 GLY 4 2HA GLY 4 -3.252 -9.017 17.986
17 H SER 5 H SER 5 -3.142 -11.071 15.100
18 HA SER 5 HA SER 5 -5.653 -10.045 14.118
19 HB2 SER 5 1HB SER 5 -3.870 -8.257 13.647
20 HB3 SER 5 2HB SER 5 -3.203 -9.401 12.483
21 HG SER 5 HG SER 5 -5.875 -9.155 12.173
22 H SER 6 H SER 6 -6.573 -11.763 13.238
23 HA SER 6 HA SER 6 -5.372 -13.247 11.139
24 HB2 SER 6 1HB SER 6 -4.375 -14.138 13.432
25 HB3 SER 6 2HB SER 6 -5.901 -15.021 13.483
26 HG SER 6 HG SER 6 -5.060 -15.379 11.074
27 H GLY 7 H GLY 7 -6.835 -14.655 10.109
28 HA2 GLY 7 1HA GLY 7 -9.092 -15.832 10.663
29 HA3 GLY 7 2HA GLY 7 -9.625 -14.172 10.886
30 H THR 8 H THR 8 -10.775 -13.507 9.211
31 HA THR 8 HA THR 8 -9.729 -13.928 6.515
32 HB THR 8 HB THR 8 -11.331 -15.764 6.868
33 HG1 THR 8 HG1 THR 8 -12.091 -15.484 4.889
34 HG21 THR 8 3HG2 THR 8 -13.197 -13.500 7.528
35 HG22 THR 8 1HG2 THR 8 -12.848 -14.946 8.473
36 HG23 THR 8 2HG2 THR 8 -13.788 -15.070 6.986
37 H GLY 9 H GLY 9 -10.394 -12.381 4.997
38 HA2 GLY 9 1HA GLY 9 -12.237 -10.567 4.758
39 HA3 GLY 9 2HA GLY 9 -11.489 -9.945 6.222
40 H GLU 10 H GLU 10 -11.745 -8.807 3.480
41 HA GLU 10 HA GLU 10 -9.081 -7.763 3.302
42 HB2 GLU 10 1HB GLU 10 -9.084 -9.990 2.008
43 HB3 GLU 10 2HB GLU 10 -10.081 -9.151 0.827
44 HG2 GLU 10 1HG GLU 10 -8.305 -7.476 0.546
45 HG3 GLU 10 2HG GLU 10 -7.303 -8.374 1.684
46 H LYS 11 H LYS 11 -9.359 -5.674 2.942
47 HA LYS 11 HA LYS 11 -11.829 -4.589 2.042
48 HB2 LYS 11 1HB LYS 11 -9.129 -3.276 2.401
49 HB3 LYS 11 2HB LYS 11 -10.637 -2.416 2.124
50 HG2 LYS 11 1HG LYS 11 -10.106 -4.208 4.484
51 HG3 LYS 11 2HG LYS 11 -9.932 -2.451 4.493
52 HD2 LYS 11 1HD LYS 11 -12.269 -2.153 4.060
53 HD3 LYS 11 2HD LYS 11 -12.491 -3.884 3.792
54 HE2 LYS 11 1HE LYS 11 -11.591 -2.671 6.401
55 HE3 LYS 11 2HE LYS 11 -13.265 -3.075 6.024
56 HZ1 LYS 11 3HZ LYS 11 -11.703 -5.316 5.461
57 HZ2 LYS 11 1HZ LYS 11 -12.860 -5.133 6.682
58 HZ3 LYS 11 2HZ LYS 11 -11.240 -4.760 6.990
59 HA PRO 12 HA PRO 12 -11.284 -4.499 -2.317
60 HB2 PRO 12 1HB PRO 12 -12.710 -2.276 -2.944
61 HB3 PRO 12 2HB PRO 12 -13.466 -3.792 -2.442
62 HG2 PRO 12 1HG PRO 12 -12.900 -1.334 -0.831
63 HG3 PRO 12 2HG PRO 12 -14.353 -2.350 -0.848
64 HD2 PRO 12 1HD PRO 12 -12.466 -2.541 1.084
65 HD3 PRO 12 2HD PRO 12 -13.413 -3.938 0.533
66 H TYR 13 H TYR 13 -9.895 -2.241 -0.274
67 HA TYR 13 HA TYR 13 -8.296 -1.151 -2.482
68 HB2 TYR 13 1HB TYR 13 -9.229 0.506 -0.134
69 HB3 TYR 13 2HB TYR 13 -8.331 1.064 -1.540
70 HD1 TYR 13 HD2 TYR 13 -9.467 1.083 -3.782
71 HD2 TYR 13 HD1 TYR 13 -11.591 0.376 -0.163
72 HE1 TYR 13 HE2 TYR 13 -11.579 1.616 -4.924
73 HE2 TYR 13 HE1 TYR 13 -13.709 0.906 -1.296
74 HH TYR 13 HH TYR 13 -14.392 0.775 -4.073
75 H GLU 14 H GLU 14 -6.155 -1.177 -2.137
76 HA GLU 14 HA GLU 14 -5.034 -1.148 0.516
77 HB2 GLU 14 1HB GLU 14 -5.766 -3.588 -0.127
78 HB3 GLU 14 2HB GLU 14 -4.304 -3.557 -1.103
79 HG2 GLU 14 1HG GLU 14 -3.033 -2.941 0.951
80 HG3 GLU 14 2HG GLU 14 -4.512 -3.197 1.875
81 H CYS 15 H CYS 15 -3.318 0.119 0.354
82 HA CYS 15 HA CYS 15 -2.206 1.138 -1.924
83 HB2 CYS 15 1HB CYS 15 -1.785 1.625 0.650
84 HB3 CYS 15 2HB CYS 15 -0.367 0.619 0.370
85 H SER 16 H SER 16 -0.175 0.777 -3.005
86 HA SER 16 HA SER 16 0.765 -2.010 -2.883
87 HB2 SER 16 1HB SER 16 0.287 -0.398 -5.402
88 HB3 SER 16 2HB SER 16 0.961 -2.026 -5.335
89 HG SER 16 HG SER 16 -1.312 -1.975 -5.781
90 H VAL 17 H VAL 17 1.746 0.688 -1.895
91 HA VAL 17 HA VAL 17 4.405 0.578 -3.166
92 HB VAL 17 HB VAL 17 4.582 3.012 -2.306
93 HG11 VAL 17 1HG1 VAL 17 2.715 2.505 -4.614
94 HG12 VAL 17 2HG1 VAL 17 3.831 3.855 -4.401
95 HG13 VAL 17 3HG1 VAL 17 4.455 2.230 -4.689
96 HG21 VAL 17 3HG2 VAL 17 1.597 2.947 -2.623
97 HG22 VAL 17 1HG2 VAL 17 2.369 2.747 -1.050
98 HG23 VAL 17 2HG2 VAL 17 2.610 4.233 -1.969
99 H CYS 18 H CYS 18 2.577 1.016 -0.189
100 HA CYS 18 HA CYS 18 5.054 0.526 1.332
101 HB2 CYS 18 1HB CYS 18 4.073 1.770 3.186
102 HB3 CYS 18 2HB CYS 18 4.108 2.769 1.737
103 H GLY 19 H GLY 19 1.668 -0.269 0.912
104 HA2 GLY 19 1HA GLY 19 0.871 -2.490 1.287
105 HA3 GLY 19 2HA GLY 19 2.114 -2.694 2.512
106 H LYS 20 H LYS 20 -0.745 -0.679 1.835
107 HA LYS 20 HA LYS 20 -1.563 -1.070 4.630
108 HB2 LYS 20 1HB LYS 20 -0.490 1.247 4.009
109 HB3 LYS 20 2HB LYS 20 -2.064 1.561 3.291
110 HG2 LYS 20 1HG LYS 20 -3.161 1.421 5.352
111 HG3 LYS 20 2HG LYS 20 -1.788 0.627 6.127
112 HD2 LYS 20 1HD LYS 20 -1.318 3.319 4.981
113 HD3 LYS 20 2HD LYS 20 -2.320 3.229 6.431
114 HE2 LYS 20 1HE LYS 20 -0.299 3.367 7.448
115 HE3 LYS 20 2HE LYS 20 -0.328 1.623 7.196
116 HZ1 LYS 20 3HZ LYS 20 1.731 2.235 6.389
117 HZ2 LYS 20 1HZ LYS 20 1.170 3.680 5.712
118 HZ3 LYS 20 2HZ LYS 20 0.803 2.203 4.976
119 H ALA 21 H ALA 21 -3.888 -0.567 4.977
120 HA ALA 21 HA ALA 21 -5.478 -1.071 2.548
121 HB1 ALA 21 3HB ALA 21 -5.170 -2.774 4.770
122 HB2 ALA 21 1HB ALA 21 -6.802 -2.111 4.857
123 HB3 ALA 21 2HB ALA 21 -6.270 -2.958 3.404
124 H PHE 22 H PHE 22 -7.536 -0.133 2.454
125 HA PHE 22 HA PHE 22 -8.354 1.636 4.619
126 HB2 PHE 22 1HB PHE 22 -8.019 2.684 1.803
127 HB3 PHE 22 2HB PHE 22 -8.516 3.597 3.224
128 HD1 PHE 22 HD2 PHE 22 -6.899 4.243 4.918
129 HD2 PHE 22 HD1 PHE 22 -5.714 2.117 1.426
130 HE1 PHE 22 HE2 PHE 22 -4.551 4.828 5.362
131 HE2 PHE 22 HE1 PHE 22 -3.364 2.698 1.865
132 HZ PHE 22 HZ PHE 22 -2.780 4.056 3.835
133 H SER 23 H SER 23 -10.443 1.320 4.956
134 HA SER 23 HA SER 23 -12.093 -0.265 3.380
135 HB2 SER 23 1HB SER 23 -13.121 1.917 5.196
136 HB3 SER 23 2HB SER 23 -13.881 0.372 4.815
137 HG SER 23 HG SER 23 -11.432 -0.037 5.840
138 H HIS 24 H HIS 24 -11.660 3.234 3.396
139 HA HIS 24 HA HIS 24 -13.561 3.477 1.173
140 HB2 HIS 24 1HB HIS 24 -13.411 4.987 3.397
141 HB3 HIS 24 2HB HIS 24 -12.325 5.902 2.355
142 HD1 HIS 24 HD1 HIS 24 -13.390 7.466 0.732
143 HD2 HIS 24 HD2 HIS 24 -16.089 4.699 2.256
144 HE1 HIS 24 HE1 HIS 24 -15.643 8.178 -0.130
145 H ARG 25 H ARG 25 -12.985 4.519 -0.756
146 HA ARG 25 HA ARG 25 -10.372 3.980 -1.684
147 HB2 ARG 25 1HB ARG 25 -12.628 4.211 -2.982
148 HB3 ARG 25 2HB ARG 25 -12.197 5.913 -3.068
149 HG2 ARG 25 1HG ARG 25 -10.314 5.496 -4.376
150 HG3 ARG 25 2HG ARG 25 -10.283 3.785 -3.946
151 HD2 ARG 25 1HD ARG 25 -11.078 4.029 -6.210
152 HD3 ARG 25 2HD ARG 25 -12.397 3.471 -5.182
153 HE ARG 25 HE ARG 25 -12.794 6.109 -5.160
154 HH11 ARG 25 1HH1 ARG 25 -12.136 3.916 -7.783
155 HH12 ARG 25 2HH1 ARG 25 -13.016 4.845 -8.952
156 HH21 ARG 25 1HH2 ARG 25 -13.955 7.340 -6.690
157 HH22 ARG 25 2HH2 ARG 25 -14.049 6.792 -8.329
158 H GLN 26 H GLN 26 -12.031 7.111 -1.251
159 HA GLN 26 HA GLN 26 -10.025 8.848 -1.815
160 HB2 GLN 26 1HB GLN 26 -12.260 8.917 0.155
161 HB3 GLN 26 2HB GLN 26 -11.042 10.182 0.247
162 HG2 GLN 26 1HG GLN 26 -12.650 11.112 -1.119
163 HG3 GLN 26 2HG GLN 26 -11.478 10.478 -2.273
164 HE21 GLN 26 1HE2 GLN 26 -12.032 8.776 -3.582
165 HE22 GLN 26 2HE2 GLN 26 -13.647 8.177 -3.718
166 H SER 27 H SER 27 -10.468 7.100 1.231
167 HA SER 27 HA SER 27 -8.480 8.289 2.749
168 HB2 SER 27 1HB SER 27 -9.614 5.503 2.717
169 HB3 SER 27 2HB SER 27 -8.318 5.937 3.832
170 HG SER 27 HG SER 27 -10.398 6.235 4.752
171 H LEU 28 H LEU 28 -8.205 5.493 0.569
172 HA LEU 28 HA LEU 28 -5.457 5.049 0.971
173 HB2 LEU 28 1HB LEU 28 -6.671 3.300 -0.003
174 HB3 LEU 28 2HB LEU 28 -7.365 4.353 -1.234
175 HG LEU 28 HG LEU 28 -5.150 4.498 -2.315
176 HD11 LEU 28 1HD1 LEU 28 -4.385 2.622 -0.096
177 HD12 LEU 28 2HD1 LEU 28 -3.631 4.150 -0.549
178 HD13 LEU 28 3HD1 LEU 28 -3.471 2.743 -1.599
179 HD21 LEU 28 3HD2 LEU 28 -5.068 1.990 -2.939
180 HD22 LEU 28 1HD2 LEU 28 -6.520 2.918 -3.315
181 HD23 LEU 28 2HD2 LEU 28 -6.494 1.854 -1.908
182 H SER 29 H SER 29 -7.151 6.761 -1.654
183 HA SER 29 HA SER 29 -4.960 7.571 -3.127
184 HB2 SER 29 1HB SER 29 -7.527 9.102 -2.640
185 HB3 SER 29 2HB SER 29 -6.382 9.424 -3.942
186 HG SER 29 HG SER 29 -7.700 8.077 -4.935
187 H VAL 30 H VAL 30 -6.588 9.412 -0.543
188 HA VAL 30 HA VAL 30 -4.790 11.563 -0.504
189 HB VAL 30 HB VAL 30 -6.486 10.478 1.749
190 HG11 VAL 30 1HG1 VAL 30 -4.611 12.721 1.591
191 HG12 VAL 30 2HG1 VAL 30 -6.210 13.153 2.198
192 HG13 VAL 30 3HG1 VAL 30 -5.273 11.891 2.999
193 HG21 VAL 30 3HG2 VAL 30 -7.058 12.086 -0.628
194 HG22 VAL 30 1HG2 VAL 30 -8.146 11.161 0.406
195 HG23 VAL 30 2HG2 VAL 30 -7.654 12.788 0.876
196 H HIS 31 H HIS 31 -4.733 8.446 1.117
197 HA HIS 31 HA HIS 31 -2.646 9.000 2.932
198 HB2 HIS 31 1HB HIS 31 -3.710 7.061 3.525
199 HB3 HIS 31 2HB HIS 31 -3.944 6.551 1.856
200 HD1 HIS 31 HD1 HIS 31 -1.110 6.831 4.374
201 HD2 HIS 31 HD2 HIS 31 -2.252 4.585 1.071
202 HE1 HIS 31 HE1 HIS 31 0.623 5.021 4.160
203 H GLN 32 H GLN 32 -2.556 7.243 -0.174
204 HA GLN 32 HA GLN 32 0.068 6.695 -0.449
205 HB2 GLN 32 1HB GLN 32 -1.880 7.729 -2.496
206 HB3 GLN 32 2HB GLN 32 -0.242 7.265 -2.936
207 HG2 GLN 32 1HG GLN 32 -0.885 5.051 -1.673
208 HG3 GLN 32 2HG GLN 32 -2.522 5.578 -2.059
209 HE21 GLN 32 1HE2 GLN 32 -3.172 5.684 -4.208
210 HE22 GLN 32 2HE2 GLN 32 -2.298 4.894 -5.472
211 H ARG 33 H ARG 33 -1.398 9.871 -0.680
212 HA ARG 33 HA ARG 33 0.494 11.405 -1.876
213 HB2 ARG 33 1HB ARG 33 -1.056 12.035 0.640
214 HB3 ARG 33 2HB ARG 33 -0.155 13.229 -0.284
215 HG2 ARG 33 1HG ARG 33 -1.621 12.371 -2.268
216 HG3 ARG 33 2HG ARG 33 -2.680 11.809 -0.973
217 HD2 ARG 33 1HD ARG 33 -3.519 13.916 -1.342
218 HD3 ARG 33 2HD ARG 33 -2.352 14.239 -0.060
219 HE ARG 33 HE ARG 33 -1.380 14.542 -2.777
220 HH11 ARG 33 1HH1 ARG 33 -2.700 16.067 0.059
221 HH12 ARG 33 2HH1 ARG 33 -2.140 17.649 -0.371
222 HH21 ARG 33 1HH2 ARG 33 -0.636 16.619 -3.355
223 HH22 ARG 33 2HH2 ARG 33 -0.967 17.962 -2.314
224 H ILE 34 H ILE 34 0.579 10.232 1.468
225 HA ILE 34 HA ILE 34 2.723 11.518 2.518
226 HB ILE 34 HB ILE 34 3.167 9.608 3.907
227 HG12 ILE 34 1HG1 ILE 34 1.469 7.998 1.989
228 HG13 ILE 34 2HG1 ILE 34 3.226 7.928 2.075
229 HG21 ILE 34 1HG2 ILE 34 1.284 10.142 4.953
230 HG22 ILE 34 2HG2 ILE 34 0.537 10.631 3.433
231 HG23 ILE 34 3HG2 ILE 34 0.435 8.953 3.965
232 HD11 ILE 34 3HD1 ILE 34 2.084 6.069 3.236
233 HD12 ILE 34 1HD1 ILE 34 3.136 7.017 4.286
234 HD13 ILE 34 2HD1 ILE 34 1.388 7.242 4.354
235 H HIS 35 H HIS 35 2.806 8.907 0.155
236 HA HIS 35 HA HIS 35 5.663 8.658 0.192
237 HB2 HIS 35 1HB HIS 35 3.917 7.731 -2.071
238 HB3 HIS 35 2HB HIS 35 5.404 7.014 -1.459
239 HD1 HIS 35 HD1 HIS 35 5.017 6.219 1.253
240 HD2 HIS 35 HD2 HIS 35 1.782 6.259 -1.354
241 HE1 HIS 35 HE1 HIS 35 3.305 4.693 2.283
242 H SER 36 H SER 36 3.327 10.529 -1.592
243 HA SER 36 HA SER 36 5.445 11.540 -3.360
244 HB2 SER 36 1HB SER 36 3.627 12.419 -4.759
245 HB3 SER 36 2HB SER 36 3.429 10.688 -4.487
246 HG SER 36 HG SER 36 2.194 12.311 -2.630
247 H GLY 37 H GLY 37 5.443 12.360 -0.667
248 HA2 GLY 37 1HA GLY 37 6.009 14.946 -0.621
249 HA3 GLY 37 2HA GLY 37 4.254 15.026 -0.631
250 H LYS 38 H LYS 38 5.165 16.213 1.443
251 HA LYS 38 HA LYS 38 4.925 16.294 3.713
252 HB2 LYS 38 1HB LYS 38 3.193 14.384 3.128
253 HB3 LYS 38 2HB LYS 38 4.393 13.360 3.905
254 HG2 LYS 38 1HG LYS 38 2.889 13.915 5.601
255 HG3 LYS 38 2HG LYS 38 4.270 14.982 5.864
256 HD2 LYS 38 1HD LYS 38 3.122 16.831 4.888
257 HD3 LYS 38 2HD LYS 38 1.813 15.793 4.320
258 HE2 LYS 38 1HE LYS 38 1.002 15.450 6.504
259 HE3 LYS 38 2HE LYS 38 2.477 16.079 7.237
260 HZ1 LYS 38 3HZ LYS 38 1.879 18.240 6.796
261 HZ2 LYS 38 1HZ LYS 38 0.372 17.551 7.133
262 HZ3 LYS 38 2HZ LYS 38 0.836 17.826 5.530
263 H LYS 39 H LYS 39 7.427 15.987 2.582
264 HA LYS 39 HA LYS 39 9.587 15.533 3.131
265 HB2 LYS 39 1HB LYS 39 8.218 15.060 5.766
266 HB3 LYS 39 2HB LYS 39 9.947 14.794 5.585
267 HG2 LYS 39 1HG LYS 39 8.689 17.395 4.798
268 HG3 LYS 39 2HG LYS 39 9.147 17.060 6.469
269 HD2 LYS 39 1HD LYS 39 11.109 16.649 4.244
270 HD3 LYS 39 2HD LYS 39 10.835 18.261 4.909
271 HE2 LYS 39 1HE LYS 39 11.445 17.493 7.118
272 HE3 LYS 39 2HE LYS 39 11.601 15.837 6.533
273 HZ1 LYS 39 3HZ LYS 39 13.760 16.836 6.708
274 HZ2 LYS 39 1HZ LYS 39 13.291 18.150 5.751
275 HZ3 LYS 39 2HZ LYS 39 13.404 16.605 5.071
276 HA PRO 40 HA PRO 40 8.570 10.949 2.598
277 HB2 PRO 40 1HB PRO 40 9.132 10.805 -0.054
278 HB3 PRO 40 2HB PRO 40 7.523 11.190 0.568
279 HG2 PRO 40 1HG PRO 40 9.648 13.032 -0.458
280 HG3 PRO 40 2HG PRO 40 7.901 13.059 -0.763
281 HD2 PRO 40 1HD PRO 40 9.093 14.700 1.031
282 HD3 PRO 40 2HD PRO 40 7.440 14.090 1.246
283 H SER 41 H SER 41 10.106 9.278 1.748
284 HA SER 41 HA SER 41 12.728 9.809 2.688
285 HB2 SER 41 1HB SER 41 13.229 7.505 1.898
286 HB3 SER 41 2HB SER 41 11.766 7.581 2.881
287 HG SER 41 HG SER 41 11.383 6.341 1.040
288 H GLY 42 H GLY 42 13.872 11.299 1.561
289 HA2 GLY 42 1HA GLY 42 15.422 10.756 -0.563
290 HA3 GLY 42 2HA GLY 42 13.924 11.248 -1.340
291 HA PRO 43 HA PRO 43 16.656 14.960 -0.373
292 HB2 PRO 43 1HB PRO 43 17.035 15.743 -2.945
293 HB3 PRO 43 2HB PRO 43 18.108 14.607 -2.118
294 HG2 PRO 43 1HG PRO 43 15.876 14.052 -4.035
295 HG3 PRO 43 2HG PRO 43 17.489 13.318 -3.952
296 HD2 PRO 43 1HD PRO 43 15.281 12.099 -2.966
297 HD3 PRO 43 2HD PRO 43 16.889 11.891 -2.244
298 H SER 44 H SER 44 15.164 16.345 0.401
299 HA SER 44 HA SER 44 13.327 17.579 -1.535
300 HB2 SER 44 1HB SER 44 11.497 17.497 -0.040
301 HB3 SER 44 2HB SER 44 12.215 15.889 0.047
302 HG SER 44 HG SER 44 12.231 17.959 1.932
303 H SER 45 H SER 45 12.505 19.708 -0.797
304 HA SER 45 HA SER 45 14.698 21.258 0.282
305 HB2 SER 45 1HB SER 45 13.135 21.867 -1.720
306 HB3 SER 45 2HB SER 45 12.030 22.421 -0.462
307 HG SER 45 HG SER 45 13.684 23.949 -1.410
308 H GLY 46 H GLY 46 14.760 22.306 2.210
309 HA2 GLY 46 1HA GLY 46 13.598 23.332 4.086
310 HA3 GLY 46 2HA GLY 46 12.391 22.061 3.954
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -2.208 -23.744 24.150
2 HA2 GLY 1 1HA GLY 1 -4.820 -23.674 23.858
3 HA3 GLY 1 2HA GLY 1 -4.475 -21.966 23.631
4 H SER 2 H SER 2 -5.205 -24.605 21.968
5 HA SER 2 HA SER 2 -3.552 -23.816 19.659
6 HB2 SER 2 1HB SER 2 -3.068 -26.118 20.681
7 HB3 SER 2 2HB SER 2 -4.647 -26.599 20.059
8 HG SER 2 HG SER 2 -3.921 -26.083 17.975
9 H SER 3 H SER 3 -4.921 -22.564 18.521
10 HA SER 3 HA SER 3 -7.051 -23.752 17.091
11 HB2 SER 3 1HB SER 3 -8.243 -23.522 19.224
12 HB3 SER 3 2HB SER 3 -7.860 -21.801 19.263
13 HG SER 3 HG SER 3 -9.659 -21.592 18.205
14 H GLY 4 H GLY 4 -7.087 -22.740 15.197
15 HA2 GLY 4 1HA GLY 4 -5.651 -20.304 14.795
16 HA3 GLY 4 2HA GLY 4 -6.580 -21.175 13.584
17 H SER 5 H SER 5 -7.253 -19.069 12.832
18 HA SER 5 HA SER 5 -9.418 -17.939 14.483
19 HB2 SER 5 1HB SER 5 -7.293 -16.505 14.061
20 HB3 SER 5 2HB SER 5 -7.932 -16.323 12.428
21 HG SER 5 HG SER 5 -8.821 -15.248 14.811
22 H SER 6 H SER 6 -11.308 -17.288 13.429
23 HA SER 6 HA SER 6 -11.559 -18.074 10.607
24 HB2 SER 6 1HB SER 6 -12.459 -19.831 12.222
25 HB3 SER 6 2HB SER 6 -13.700 -18.655 12.655
26 HG SER 6 HG SER 6 -13.422 -20.175 10.375
27 H GLY 7 H GLY 7 -11.853 -16.147 9.654
28 HA2 GLY 7 1HA GLY 7 -13.940 -14.730 9.200
29 HA3 GLY 7 2HA GLY 7 -13.754 -14.261 10.884
30 H THR 8 H THR 8 -12.643 -13.818 7.651
31 HA THR 8 HA THR 8 -10.965 -11.587 8.574
32 HB THR 8 HB THR 8 -10.224 -13.463 6.321
33 HG1 THR 8 HG1 THR 8 -9.917 -14.356 8.442
34 HG21 THR 8 3HG2 THR 8 -8.135 -11.744 7.346
35 HG22 THR 8 1HG2 THR 8 -9.499 -10.804 6.742
36 HG23 THR 8 2HG2 THR 8 -8.692 -11.966 5.688
37 H GLY 9 H GLY 9 -11.784 -9.758 7.805
38 HA2 GLY 9 1HA GLY 9 -13.248 -9.834 5.249
39 HA3 GLY 9 2HA GLY 9 -13.477 -8.633 6.511
40 H GLU 10 H GLU 10 -11.490 -9.651 3.834
41 HA GLU 10 HA GLU 10 -9.483 -7.671 4.077
42 HB2 GLU 10 1HB GLU 10 -8.828 -8.276 1.852
43 HB3 GLU 10 2HB GLU 10 -9.302 -9.745 2.694
44 HG2 GLU 10 1HG GLU 10 -11.256 -8.271 0.978
45 HG3 GLU 10 2HG GLU 10 -10.085 -9.382 0.270
46 H LYS 11 H LYS 11 -9.141 -5.877 2.548
47 HA LYS 11 HA LYS 11 -11.682 -4.496 1.996
48 HB2 LYS 11 1HB LYS 11 -8.950 -3.481 2.741
49 HB3 LYS 11 2HB LYS 11 -10.143 -2.427 1.994
50 HG2 LYS 11 1HG LYS 11 -11.469 -2.381 3.844
51 HG3 LYS 11 2HG LYS 11 -10.972 -3.989 4.377
52 HD2 LYS 11 1HD LYS 11 -8.679 -2.916 4.812
53 HD3 LYS 11 2HD LYS 11 -9.528 -1.374 4.683
54 HE2 LYS 11 1HE LYS 11 -10.867 -1.831 6.555
55 HE3 LYS 11 2HE LYS 11 -10.483 -3.551 6.516
56 HZ1 LYS 11 3HZ LYS 11 -9.135 -2.869 8.199
57 HZ2 LYS 11 1HZ LYS 11 -8.907 -1.318 7.563
58 HZ3 LYS 11 2HZ LYS 11 -8.073 -2.633 6.904
59 HA PRO 12 HA PRO 12 -10.799 -4.701 -2.318
60 HB2 PRO 12 1HB PRO 12 -12.409 -2.681 -3.154
61 HB3 PRO 12 2HB PRO 12 -13.029 -4.253 -2.637
62 HG2 PRO 12 1HG PRO 12 -12.867 -1.684 -1.108
63 HG3 PRO 12 2HG PRO 12 -14.193 -2.860 -1.183
64 HD2 PRO 12 1HD PRO 12 -12.453 -2.757 0.889
65 HD3 PRO 12 2HD PRO 12 -13.194 -4.274 0.338
66 H TYR 13 H TYR 13 -9.674 -2.368 -0.286
67 HA TYR 13 HA TYR 13 -8.242 -1.013 -2.471
68 HB2 TYR 13 1HB TYR 13 -9.137 0.337 0.080
69 HB3 TYR 13 2HB TYR 13 -8.361 1.093 -1.306
70 HD1 TYR 13 HD2 TYR 13 -9.638 1.067 -3.532
71 HD2 TYR 13 HD1 TYR 13 -11.468 0.226 0.216
72 HE1 TYR 13 HE2 TYR 13 -11.844 1.556 -4.505
73 HE2 TYR 13 HE1 TYR 13 -13.679 0.711 -0.747
74 HH TYR 13 HH TYR 13 -14.198 1.021 -4.090
75 H GLU 14 H GLU 14 -6.124 -1.290 -2.332
76 HA GLU 14 HA GLU 14 -4.855 -1.424 0.302
77 HB2 GLU 14 1HB GLU 14 -5.269 -3.753 -0.467
78 HB3 GLU 14 2HB GLU 14 -4.303 -3.421 -1.898
79 HG2 GLU 14 1HG GLU 14 -2.383 -2.911 -0.391
80 HG3 GLU 14 2HG GLU 14 -3.370 -3.466 0.959
81 H CYS 15 H CYS 15 -3.202 -0.065 0.387
82 HA CYS 15 HA CYS 15 -2.335 1.499 -1.741
83 HB2 CYS 15 1HB CYS 15 -1.985 1.685 0.880
84 HB3 CYS 15 2HB CYS 15 -0.443 0.927 0.497
85 H SER 16 H SER 16 -1.091 1.089 -3.436
86 HA SER 16 HA SER 16 0.322 -1.429 -3.621
87 HB2 SER 16 1HB SER 16 0.613 -0.917 -5.940
88 HB3 SER 16 2HB SER 16 -1.022 -0.413 -5.512
89 HG SER 16 HG SER 16 -0.497 1.600 -5.869
90 H VAL 17 H VAL 17 1.232 0.757 -1.789
91 HA VAL 17 HA VAL 17 3.979 1.008 -2.832
92 HB VAL 17 HB VAL 17 2.513 2.971 -1.064
93 HG11 VAL 17 1HG1 VAL 17 4.580 4.358 -1.416
94 HG12 VAL 17 2HG1 VAL 17 4.793 2.939 -0.389
95 HG13 VAL 17 3HG1 VAL 17 5.353 2.911 -2.062
96 HG21 VAL 17 3HG2 VAL 17 2.987 4.496 -3.054
97 HG22 VAL 17 1HG2 VAL 17 3.309 3.017 -3.960
98 HG23 VAL 17 2HG2 VAL 17 1.717 3.289 -3.252
99 H CYS 18 H CYS 18 2.456 1.617 0.326
100 HA CYS 18 HA CYS 18 4.622 0.219 1.649
101 HB2 CYS 18 1HB CYS 18 3.464 0.958 3.735
102 HB3 CYS 18 2HB CYS 18 3.881 2.282 2.652
103 H GLY 19 H GLY 19 1.262 -0.300 0.857
104 HA2 GLY 19 1HA GLY 19 0.359 -2.497 0.663
105 HA3 GLY 19 2HA GLY 19 1.514 -3.045 1.870
106 H LYS 20 H LYS 20 -0.600 -0.221 2.066
107 HA LYS 20 HA LYS 20 -1.695 -1.286 4.556
108 HB2 LYS 20 1HB LYS 20 -0.761 1.151 4.088
109 HB3 LYS 20 2HB LYS 20 -2.403 1.423 3.522
110 HG2 LYS 20 1HG LYS 20 -3.321 0.961 5.638
111 HG3 LYS 20 2HG LYS 20 -1.810 0.262 6.226
112 HD2 LYS 20 1HD LYS 20 -0.768 2.532 5.930
113 HD3 LYS 20 2HD LYS 20 -2.389 3.157 5.618
114 HE2 LYS 20 1HE LYS 20 -2.899 1.887 7.891
115 HE3 LYS 20 2HE LYS 20 -1.178 2.169 8.145
116 HZ1 LYS 20 3HZ LYS 20 -1.463 4.448 8.130
117 HZ2 LYS 20 1HZ LYS 20 -2.855 3.926 8.939
118 HZ3 LYS 20 2HZ LYS 20 -2.943 4.378 7.312
119 H ALA 21 H ALA 21 -4.075 -0.677 4.950
120 HA ALA 21 HA ALA 21 -5.670 -1.115 2.518
121 HB1 ALA 21 3HB ALA 21 -6.609 -3.011 3.254
122 HB2 ALA 21 1HB ALA 21 -5.212 -3.104 4.326
123 HB3 ALA 21 2HB ALA 21 -6.730 -2.423 4.912
124 H PHE 22 H PHE 22 -7.425 0.145 2.345
125 HA PHE 22 HA PHE 22 -8.386 1.544 4.746
126 HB2 PHE 22 1HB PHE 22 -8.164 2.856 2.036
127 HB3 PHE 22 2HB PHE 22 -8.548 3.621 3.574
128 HD1 PHE 22 HD1 PHE 22 -5.850 1.916 1.699
129 HD2 PHE 22 HD2 PHE 22 -6.858 4.468 4.953
130 HE1 PHE 22 HE1 PHE 22 -3.466 2.427 2.032
131 HE2 PHE 22 HE2 PHE 22 -4.476 4.984 5.291
132 HZ PHE 22 HZ PHE 22 -2.777 3.964 3.829
133 H SER 23 H SER 23 -10.483 1.247 5.070
134 HA SER 23 HA SER 23 -12.136 -0.268 3.439
135 HB2 SER 23 1HB SER 23 -12.375 0.599 5.944
136 HB3 SER 23 2HB SER 23 -13.395 1.811 5.169
137 HG SER 23 HG SER 23 -14.708 0.111 5.678
138 H HIS 24 H HIS 24 -11.653 3.215 3.540
139 HA HIS 24 HA HIS 24 -13.618 3.576 1.397
140 HB2 HIS 24 1HB HIS 24 -13.242 5.060 3.619
141 HB3 HIS 24 2HB HIS 24 -12.184 5.921 2.505
142 HD1 HIS 24 HD1 HIS 24 -13.274 7.515 0.920
143 HD2 HIS 24 HD2 HIS 24 -16.005 4.942 2.705
144 HE1 HIS 24 HE1 HIS 24 -15.541 8.353 0.224
145 H ARG 25 H ARG 25 -13.089 4.554 -0.568
146 HA ARG 25 HA ARG 25 -10.517 3.918 -1.587
147 HB2 ARG 25 1HB ARG 25 -12.362 3.808 -3.090
148 HB3 ARG 25 2HB ARG 25 -12.846 5.459 -2.724
149 HG2 ARG 25 1HG ARG 25 -11.838 5.472 -4.868
150 HG3 ARG 25 2HG ARG 25 -10.697 6.224 -3.751
151 HD2 ARG 25 1HD ARG 25 -9.640 3.910 -3.547
152 HD3 ARG 25 2HD ARG 25 -10.598 3.476 -4.963
153 HE ARG 25 HE ARG 25 -8.970 5.851 -5.251
154 HH11 ARG 25 1HH1 ARG 25 -9.201 2.404 -5.683
155 HH12 ARG 25 2HH1 ARG 25 -7.962 2.341 -6.892
156 HH21 ARG 25 1HH2 ARG 25 -7.337 5.781 -6.842
157 HH22 ARG 25 2HH2 ARG 25 -6.902 4.262 -7.550
158 H GLN 26 H GLN 26 -12.148 7.080 -1.283
159 HA GLN 26 HA GLN 26 -10.149 8.769 -1.982
160 HB2 GLN 26 1HB GLN 26 -12.288 8.976 0.100
161 HB3 GLN 26 2HB GLN 26 -11.094 10.260 -0.035
162 HG2 GLN 26 1HG GLN 26 -11.722 10.676 -2.317
163 HG3 GLN 26 2HG GLN 26 -12.818 9.295 -2.304
164 HE21 GLN 26 1HE2 GLN 26 -14.133 11.269 -3.082
165 HE22 GLN 26 2HE2 GLN 26 -15.042 12.077 -1.856
166 H SER 27 H SER 27 -10.646 7.555 1.334
167 HA SER 27 HA SER 27 -8.577 8.700 2.656
168 HB2 SER 27 1HB SER 27 -9.872 6.022 2.869
169 HB3 SER 27 2HB SER 27 -8.396 6.297 3.794
170 HG SER 27 HG SER 27 -10.139 8.374 3.998
171 H LEU 28 H LEU 28 -8.348 5.729 0.712
172 HA LEU 28 HA LEU 28 -5.625 5.245 1.094
173 HB2 LEU 28 1HB LEU 28 -6.899 3.522 0.142
174 HB3 LEU 28 2HB LEU 28 -7.529 4.573 -1.124
175 HG LEU 28 HG LEU 28 -5.272 4.616 -2.149
176 HD11 LEU 28 1HD1 LEU 28 -3.543 3.165 -1.414
177 HD12 LEU 28 2HD1 LEU 28 -4.593 2.416 -0.212
178 HD13 LEU 28 3HD1 LEU 28 -4.073 4.089 -0.008
179 HD21 LEU 28 3HD2 LEU 28 -7.177 2.872 -2.573
180 HD22 LEU 28 1HD2 LEU 28 -6.027 1.746 -1.850
181 HD23 LEU 28 2HD2 LEU 28 -5.584 2.650 -3.298
182 H SER 29 H SER 29 -7.170 6.782 -1.734
183 HA SER 29 HA SER 29 -4.964 7.539 -3.144
184 HB2 SER 29 1HB SER 29 -7.196 7.938 -3.997
185 HB3 SER 29 2HB SER 29 -7.513 9.117 -2.725
186 HG SER 29 HG SER 29 -5.353 9.457 -4.503
187 H VAL 30 H VAL 30 -6.529 9.491 -0.605
188 HA VAL 30 HA VAL 30 -4.651 11.580 -0.619
189 HB VAL 30 HB VAL 30 -6.414 10.628 1.643
190 HG11 VAL 30 1HG1 VAL 30 -4.940 11.971 2.769
191 HG12 VAL 30 2HG1 VAL 30 -4.588 12.961 1.351
192 HG13 VAL 30 3HG1 VAL 30 -6.105 13.177 2.225
193 HG21 VAL 30 3HG2 VAL 30 -6.814 12.751 -0.463
194 HG22 VAL 30 1HG2 VAL 30 -7.714 11.244 -0.291
195 HG23 VAL 30 2HG2 VAL 30 -7.867 12.506 0.930
196 H HIS 31 H HIS 31 -4.731 8.506 1.078
197 HA HIS 31 HA HIS 31 -2.632 9.036 2.894
198 HB2 HIS 31 1HB HIS 31 -3.824 7.180 3.542
199 HB3 HIS 31 2HB HIS 31 -4.016 6.595 1.892
200 HD1 HIS 31 HD1 HIS 31 -1.626 6.551 4.777
201 HD2 HIS 31 HD2 HIS 31 -2.009 4.887 0.990
202 HE1 HIS 31 HE1 HIS 31 0.136 4.762 4.648
203 H GLN 32 H GLN 32 -2.620 7.158 -0.141
204 HA GLN 32 HA GLN 32 -0.019 6.480 -0.376
205 HB2 GLN 32 1HB GLN 32 -1.985 7.427 -2.432
206 HB3 GLN 32 2HB GLN 32 -0.337 7.038 -2.906
207 HG2 GLN 32 1HG GLN 32 -0.577 4.792 -2.367
208 HG3 GLN 32 2HG GLN 32 -1.982 5.090 -1.345
209 HE21 GLN 32 1HE2 GLN 32 -1.980 3.124 -3.272
210 HE22 GLN 32 2HE2 GLN 32 -3.079 3.557 -4.533
211 H ARG 33 H ARG 33 -1.336 9.700 -0.653
212 HA ARG 33 HA ARG 33 0.632 11.091 -1.949
213 HB2 ARG 33 1HB ARG 33 -0.926 11.919 0.505
214 HB3 ARG 33 2HB ARG 33 0.027 13.022 -0.479
215 HG2 ARG 33 1HG ARG 33 -1.390 12.549 -2.403
216 HG3 ARG 33 2HG ARG 33 -2.338 11.420 -1.432
217 HD2 ARG 33 1HD ARG 33 -3.254 13.119 -0.130
218 HD3 ARG 33 2HD ARG 33 -1.985 14.264 -0.565
219 HE ARG 33 HE ARG 33 -4.379 13.654 -2.071
220 HH11 ARG 33 1HH1 ARG 33 -1.204 15.082 -2.091
221 HH12 ARG 33 2HH1 ARG 33 -1.526 16.095 -3.460
222 HH21 ARG 33 1HH2 ARG 33 -4.815 14.982 -3.874
223 HH22 ARG 33 2HH2 ARG 33 -3.580 16.037 -4.473
224 H ILE 34 H ILE 34 0.579 10.211 1.494
225 HA ILE 34 HA ILE 34 2.777 11.428 2.482
226 HB ILE 34 HB ILE 34 3.063 9.649 4.045
227 HG12 ILE 34 1HG1 ILE 34 1.416 7.890 2.216
228 HG13 ILE 34 2HG1 ILE 34 3.172 7.830 2.328
229 HG21 ILE 34 1HG2 ILE 34 0.327 9.030 4.020
230 HG22 ILE 34 2HG2 ILE 34 1.138 10.301 4.934
231 HG23 ILE 34 3HG2 ILE 34 0.472 10.650 3.339
232 HD11 ILE 34 3HD1 ILE 34 2.929 6.325 3.927
233 HD12 ILE 34 1HD1 ILE 34 2.272 7.602 4.951
234 HD13 ILE 34 2HD1 ILE 34 1.187 6.593 3.993
235 H HIS 35 H HIS 35 2.739 8.862 0.128
236 HA HIS 35 HA HIS 35 5.590 8.391 0.307
237 HB2 HIS 35 1HB HIS 35 3.787 7.402 -1.891
238 HB3 HIS 35 2HB HIS 35 5.274 6.678 -1.285
239 HD1 HIS 35 HD1 HIS 35 4.866 6.209 1.567
240 HD2 HIS 35 HD2 HIS 35 1.724 5.852 -1.127
241 HE1 HIS 35 HE1 HIS 35 3.170 4.740 2.703
242 H SER 36 H SER 36 4.614 11.081 -0.365
243 HA SER 36 HA SER 36 5.659 11.359 -3.101
244 HB2 SER 36 1HB SER 36 3.327 12.255 -2.452
245 HB3 SER 36 2HB SER 36 4.203 13.520 -1.591
246 HG SER 36 HG SER 36 5.348 13.557 -3.847
247 H GLY 37 H GLY 37 7.769 11.788 -3.107
248 HA2 GLY 37 1HA GLY 37 9.831 12.547 -2.373
249 HA3 GLY 37 2HA GLY 37 8.979 14.084 -2.382
250 H LYS 38 H LYS 38 8.945 11.209 -0.272
251 HA LYS 38 HA LYS 38 8.314 12.384 2.098
252 HB2 LYS 38 1HB LYS 38 10.379 10.207 1.721
253 HB3 LYS 38 2HB LYS 38 9.532 10.569 3.219
254 HG2 LYS 38 1HG LYS 38 7.536 9.699 2.459
255 HG3 LYS 38 2HG LYS 38 7.978 9.894 0.761
256 HD2 LYS 38 1HD LYS 38 9.454 7.998 2.562
257 HD3 LYS 38 2HD LYS 38 7.968 7.520 1.738
258 HE2 LYS 38 1HE LYS 38 8.940 7.851 -0.396
259 HE3 LYS 38 2HE LYS 38 10.330 8.692 0.288
260 HZ1 LYS 38 3HZ LYS 38 10.432 6.301 1.523
261 HZ2 LYS 38 1HZ LYS 38 11.314 6.709 0.138
262 HZ3 LYS 38 2HZ LYS 38 9.855 5.866 -0.006
263 H LYS 39 H LYS 39 9.243 13.703 3.549
264 HA LYS 39 HA LYS 39 11.732 14.980 2.851
265 HB2 LYS 39 1HB LYS 39 9.537 15.965 3.970
266 HB3 LYS 39 2HB LYS 39 10.366 15.501 5.451
267 HG2 LYS 39 1HG LYS 39 11.649 17.215 3.344
268 HG3 LYS 39 2HG LYS 39 10.693 17.879 4.672
269 HD2 LYS 39 1HD LYS 39 12.247 17.294 6.261
270 HD3 LYS 39 2HD LYS 39 12.888 15.960 5.298
271 HE2 LYS 39 1HE LYS 39 14.555 17.644 5.316
272 HE3 LYS 39 2HE LYS 39 13.809 17.693 3.720
273 HZ1 LYS 39 3HZ LYS 39 12.894 19.710 4.108
274 HZ2 LYS 39 1HZ LYS 39 14.205 19.856 5.168
275 HZ3 LYS 39 2HZ LYS 39 12.678 19.439 5.764
276 HA PRO 40 HA PRO 40 14.247 12.256 5.287
277 HB2 PRO 40 1HB PRO 40 16.542 13.694 5.099
278 HB3 PRO 40 2HB PRO 40 15.916 12.707 3.774
279 HG2 PRO 40 1HG PRO 40 15.690 15.660 4.206
280 HG3 PRO 40 2HG PRO 40 16.048 14.772 2.713
281 HD2 PRO 40 1HD PRO 40 13.588 15.761 3.266
282 HD3 PRO 40 2HD PRO 40 13.831 14.271 2.331
283 H SER 41 H SER 41 14.699 15.761 5.809
284 HA SER 41 HA SER 41 14.462 15.288 8.698
285 HB2 SER 41 1HB SER 41 16.882 15.504 7.990
286 HB3 SER 41 2HB SER 41 16.515 17.160 7.506
287 HG SER 41 HG SER 41 16.323 17.739 9.556
288 H GLY 42 H GLY 42 12.420 16.169 8.801
289 HA2 GLY 42 1HA GLY 42 12.056 18.902 7.790
290 HA3 GLY 42 2HA GLY 42 10.770 17.805 8.272
291 HA PRO 43 HA PRO 43 10.526 19.697 12.212
292 HB2 PRO 43 1HB PRO 43 10.017 17.590 13.847
293 HB3 PRO 43 2HB PRO 43 8.827 18.233 12.708
294 HG2 PRO 43 1HG PRO 43 10.621 15.852 12.431
295 HG3 PRO 43 2HG PRO 43 8.908 16.018 12.003
296 HD2 PRO 43 1HD PRO 43 10.890 16.166 10.164
297 HD3 PRO 43 2HD PRO 43 9.378 17.085 10.015
298 H SER 44 H SER 44 12.760 17.027 11.844
299 HA SER 44 HA SER 44 14.744 16.514 12.835
300 HB2 SER 44 1HB SER 44 14.616 19.497 13.056
301 HB3 SER 44 2HB SER 44 15.928 18.634 13.858
302 HG SER 44 HG SER 44 15.272 18.593 11.099
303 H SER 45 H SER 45 12.490 15.994 14.385
304 HA SER 45 HA SER 45 13.099 16.885 17.091
305 HB2 SER 45 1HB SER 45 11.020 15.747 17.719
306 HB3 SER 45 2HB SER 45 10.745 16.828 16.353
307 HG SER 45 HG SER 45 11.185 14.788 15.077
308 H GLY 46 H GLY 46 12.854 13.843 15.266
309 HA2 GLY 46 1HA GLY 46 14.719 12.252 15.667
310 HA3 GLY 46 2HA GLY 46 14.491 12.577 17.378
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -16.247 -17.127 24.503
2 HA2 GLY 1 1HA GLY 1 -16.526 -17.579 22.152
3 HA3 GLY 1 2HA GLY 1 -17.050 -15.922 22.413
4 H SER 2 H SER 2 -16.531 -15.735 20.096
5 HA SER 2 HA SER 2 -13.799 -15.879 19.255
6 HB2 SER 2 1HB SER 2 -16.350 -14.907 18.006
7 HB3 SER 2 2HB SER 2 -14.801 -14.546 17.245
8 HG SER 2 HG SER 2 -14.480 -16.646 16.852
9 H SER 3 H SER 3 -12.654 -14.550 20.685
10 HA SER 3 HA SER 3 -13.308 -11.701 20.711
11 HB2 SER 3 1HB SER 3 -11.166 -13.178 22.258
12 HB3 SER 3 2HB SER 3 -11.695 -11.517 22.521
13 HG SER 3 HG SER 3 -12.613 -13.256 23.913
14 H GLY 4 H GLY 4 -12.446 -12.640 18.243
15 HA2 GLY 4 1HA GLY 4 -9.702 -11.557 18.070
16 HA3 GLY 4 2HA GLY 4 -10.349 -12.767 16.972
17 H SER 5 H SER 5 -10.117 -9.409 17.716
18 HA SER 5 HA SER 5 -11.752 -8.761 15.353
19 HB2 SER 5 1HB SER 5 -11.068 -7.061 17.762
20 HB3 SER 5 2HB SER 5 -11.948 -6.480 16.348
21 HG SER 5 HG SER 5 -12.777 -8.664 17.959
22 H SER 6 H SER 6 -9.160 -9.649 14.958
23 HA SER 6 HA SER 6 -7.374 -7.403 14.705
24 HB2 SER 6 1HB SER 6 -7.219 -10.311 13.944
25 HB3 SER 6 2HB SER 6 -5.996 -9.164 13.399
26 HG SER 6 HG SER 6 -6.217 -10.352 15.776
27 H GLY 7 H GLY 7 -9.157 -9.503 12.453
28 HA2 GLY 7 1HA GLY 7 -9.452 -7.314 10.594
29 HA3 GLY 7 2HA GLY 7 -8.379 -8.584 10.025
30 H THR 8 H THR 8 -11.351 -7.499 9.617
31 HA THR 8 HA THR 8 -12.378 -10.148 8.932
32 HB THR 8 HB THR 8 -14.637 -9.543 9.831
33 HG1 THR 8 HG1 THR 8 -14.372 -7.896 11.639
34 HG21 THR 8 3HG2 THR 8 -14.070 -10.028 12.199
35 HG22 THR 8 1HG2 THR 8 -12.370 -9.765 11.814
36 HG23 THR 8 2HG2 THR 8 -13.249 -11.095 11.060
37 H GLY 9 H GLY 9 -13.272 -10.166 6.965
38 HA2 GLY 9 1HA GLY 9 -14.380 -9.429 5.075
39 HA3 GLY 9 2HA GLY 9 -14.745 -7.933 5.921
40 H GLU 10 H GLU 10 -12.702 -9.496 3.656
41 HA GLU 10 HA GLU 10 -10.477 -7.832 3.603
42 HB2 GLU 10 1HB GLU 10 -11.888 -9.303 1.377
43 HB3 GLU 10 2HB GLU 10 -10.364 -8.456 1.149
44 HG2 GLU 10 1HG GLU 10 -10.781 -10.664 3.148
45 HG3 GLU 10 2HG GLU 10 -10.144 -10.903 1.522
46 H LYS 11 H LYS 11 -9.992 -5.898 2.657
47 HA LYS 11 HA LYS 11 -12.276 -4.241 1.902
48 HB2 LYS 11 1HB LYS 11 -9.419 -3.576 2.613
49 HB3 LYS 11 2HB LYS 11 -10.573 -2.376 2.049
50 HG2 LYS 11 1HG LYS 11 -11.920 -2.620 3.965
51 HG3 LYS 11 2HG LYS 11 -11.091 -4.101 4.451
52 HD2 LYS 11 1HD LYS 11 -9.486 -1.609 4.181
53 HD3 LYS 11 2HD LYS 11 -10.550 -1.769 5.580
54 HE2 LYS 11 1HE LYS 11 -8.673 -3.977 4.824
55 HE3 LYS 11 2HE LYS 11 -8.100 -2.592 5.752
56 HZ1 LYS 11 3HZ LYS 11 -10.462 -3.469 6.936
57 HZ2 LYS 11 1HZ LYS 11 -8.893 -3.556 7.563
58 HZ3 LYS 11 2HZ LYS 11 -9.515 -4.844 6.661
59 HA PRO 12 HA PRO 12 -11.349 -4.411 -2.401
60 HB2 PRO 12 1HB PRO 12 -12.580 -2.121 -3.183
61 HB3 PRO 12 2HB PRO 12 -13.466 -3.583 -2.733
62 HG2 PRO 12 1HG PRO 12 -12.905 -1.133 -1.108
63 HG3 PRO 12 2HG PRO 12 -14.407 -2.064 -1.245
64 HD2 PRO 12 1HD PRO 12 -12.716 -2.328 0.853
65 HD3 PRO 12 2HD PRO 12 -13.690 -3.678 0.236
66 H TYR 13 H TYR 13 -10.075 -2.131 -0.276
67 HA TYR 13 HA TYR 13 -8.300 -1.079 -2.379
68 HB2 TYR 13 1HB TYR 13 -8.947 0.438 0.139
69 HB3 TYR 13 2HB TYR 13 -8.245 1.044 -1.357
70 HD1 TYR 13 HD2 TYR 13 -9.886 0.528 -3.484
71 HD2 TYR 13 HD1 TYR 13 -11.106 1.108 0.551
72 HE1 TYR 13 HE2 TYR 13 -12.119 1.203 -4.262
73 HE2 TYR 13 HE1 TYR 13 -13.343 1.784 -0.217
74 HH TYR 13 HH TYR 13 -14.208 2.864 -2.641
75 H GLU 14 H GLU 14 -6.159 -1.257 -2.045
76 HA GLU 14 HA GLU 14 -5.052 -1.620 0.591
77 HB2 GLU 14 1HB GLU 14 -5.918 -3.913 -0.397
78 HB3 GLU 14 2HB GLU 14 -4.414 -3.838 -1.304
79 HG2 GLU 14 1HG GLU 14 -3.287 -3.455 0.960
80 HG3 GLU 14 2HG GLU 14 -4.807 -4.009 1.659
81 H CYS 15 H CYS 15 -3.529 -0.097 0.406
82 HA CYS 15 HA CYS 15 -2.233 0.717 -1.913
83 HB2 CYS 15 1HB CYS 15 -2.298 1.704 0.548
84 HB3 CYS 15 2HB CYS 15 -0.763 0.850 0.682
85 H SER 16 H SER 16 -0.612 -0.068 -3.098
86 HA SER 16 HA SER 16 0.676 -2.537 -2.203
87 HB2 SER 16 1HB SER 16 -0.379 -2.564 -4.420
88 HB3 SER 16 2HB SER 16 0.642 -1.220 -4.931
89 HG SER 16 HG SER 16 1.338 -3.895 -4.420
90 H VAL 17 H VAL 17 1.431 0.740 -3.246
91 HA VAL 17 HA VAL 17 4.164 0.627 -3.532
92 HB VAL 17 HB VAL 17 4.149 3.012 -2.591
93 HG11 VAL 17 1HG1 VAL 17 3.909 2.267 -5.015
94 HG12 VAL 17 2HG1 VAL 17 2.180 2.560 -4.816
95 HG13 VAL 17 3HG1 VAL 17 3.330 3.883 -4.613
96 HG21 VAL 17 3HG2 VAL 17 2.023 4.064 -2.247
97 HG22 VAL 17 1HG2 VAL 17 1.167 2.586 -2.687
98 HG23 VAL 17 2HG2 VAL 17 2.111 2.648 -1.199
99 H CYS 18 H CYS 18 2.291 0.878 -0.544
100 HA CYS 18 HA CYS 18 4.781 0.442 0.972
101 HB2 CYS 18 1HB CYS 18 3.653 1.516 2.884
102 HB3 CYS 18 2HB CYS 18 3.767 2.597 1.500
103 H GLY 19 H GLY 19 1.388 -0.449 0.624
104 HA2 GLY 19 1HA GLY 19 0.810 -2.799 0.852
105 HA3 GLY 19 2HA GLY 19 1.974 -2.897 2.165
106 H LYS 20 H LYS 20 0.068 -0.065 2.120
107 HA LYS 20 HA LYS 20 -1.209 -0.822 4.588
108 HB2 LYS 20 1HB LYS 20 -0.312 1.530 3.753
109 HB3 LYS 20 2HB LYS 20 -1.948 1.672 3.125
110 HG2 LYS 20 1HG LYS 20 -2.246 2.608 5.171
111 HG3 LYS 20 2HG LYS 20 -2.577 0.922 5.577
112 HD2 LYS 20 1HD LYS 20 0.219 1.958 5.762
113 HD3 LYS 20 2HD LYS 20 -0.935 2.342 7.042
114 HE2 LYS 20 1HE LYS 20 -1.418 -0.159 7.126
115 HE3 LYS 20 2HE LYS 20 0.031 -0.359 6.142
116 HZ1 LYS 20 3HZ LYS 20 0.605 -0.615 8.434
117 HZ2 LYS 20 1HZ LYS 20 -0.125 0.855 8.847
118 HZ3 LYS 20 2HZ LYS 20 1.270 0.843 7.890
119 H ALA 21 H ALA 21 -3.538 -0.579 4.942
120 HA ALA 21 HA ALA 21 -5.132 -1.190 2.542
121 HB1 ALA 21 3HB ALA 21 -5.853 -3.138 3.355
122 HB2 ALA 21 1HB ALA 21 -4.523 -3.023 4.507
123 HB3 ALA 21 2HB ALA 21 -6.133 -2.460 4.959
124 H PHE 22 H PHE 22 -7.212 -0.378 2.486
125 HA PHE 22 HA PHE 22 -8.165 1.159 4.782
126 HB2 PHE 22 1HB PHE 22 -8.016 2.343 2.003
127 HB3 PHE 22 2HB PHE 22 -8.596 3.142 3.461
128 HD1 PHE 22 HD1 PHE 22 -5.645 1.972 1.640
129 HD2 PHE 22 HD2 PHE 22 -7.062 3.999 5.104
130 HE1 PHE 22 HE1 PHE 22 -3.372 2.804 2.079
131 HE2 PHE 22 HE2 PHE 22 -4.792 4.836 5.548
132 HZ PHE 22 HZ PHE 22 -2.943 4.239 4.034
133 H SER 23 H SER 23 -10.429 1.664 4.695
134 HA SER 23 HA SER 23 -11.925 -0.360 3.230
135 HB2 SER 23 1HB SER 23 -12.165 0.382 5.774
136 HB3 SER 23 2HB SER 23 -13.270 1.564 5.073
137 HG SER 23 HG SER 23 -14.395 -0.194 4.114
138 H HIS 24 H HIS 24 -11.354 3.051 3.210
139 HA HIS 24 HA HIS 24 -13.487 3.422 1.215
140 HB2 HIS 24 1HB HIS 24 -13.132 4.862 3.467
141 HB3 HIS 24 2HB HIS 24 -12.126 5.793 2.361
142 HD1 HIS 24 HD1 HIS 24 -13.299 7.334 0.766
143 HD2 HIS 24 HD2 HIS 24 -15.905 4.712 2.661
144 HE1 HIS 24 HE1 HIS 24 -15.608 8.114 0.144
145 H ARG 25 H ARG 25 -13.024 4.719 -0.653
146 HA ARG 25 HA ARG 25 -10.439 4.143 -1.759
147 HB2 ARG 25 1HB ARG 25 -12.787 4.246 -2.927
148 HB3 ARG 25 2HB ARG 25 -12.416 5.958 -3.087
149 HG2 ARG 25 1HG ARG 25 -10.288 5.312 -4.220
150 HG3 ARG 25 2HG ARG 25 -10.854 3.640 -4.199
151 HD2 ARG 25 1HD ARG 25 -12.765 4.220 -5.545
152 HD3 ARG 25 2HD ARG 25 -12.353 5.932 -5.458
153 HE ARG 25 HE ARG 25 -11.302 4.029 -7.277
154 HH11 ARG 25 1HH1 ARG 25 -10.429 6.832 -5.407
155 HH12 ARG 25 2HH1 ARG 25 -9.167 7.322 -6.488
156 HH21 ARG 25 1HH2 ARG 25 -9.644 4.663 -8.709
157 HH22 ARG 25 2HH2 ARG 25 -8.722 6.088 -8.366
158 H GLN 26 H GLN 26 -12.243 7.189 -1.293
159 HA GLN 26 HA GLN 26 -10.324 9.000 -1.979
160 HB2 GLN 26 1HB GLN 26 -12.661 9.522 -1.257
161 HB3 GLN 26 2HB GLN 26 -12.149 9.298 0.410
162 HG2 GLN 26 1HG GLN 26 -12.104 11.605 0.070
163 HG3 GLN 26 2HG GLN 26 -10.419 11.100 -0.041
164 HE21 GLN 26 1HE2 GLN 26 -9.585 12.577 -1.379
165 HE22 GLN 26 2HE2 GLN 26 -10.143 12.886 -2.985
166 H SER 27 H SER 27 -10.673 7.376 1.149
167 HA SER 27 HA SER 27 -8.680 8.715 2.554
168 HB2 SER 27 1HB SER 27 -9.881 5.977 2.764
169 HB3 SER 27 2HB SER 27 -8.488 6.390 3.763
170 HG SER 27 HG SER 27 -9.900 7.284 5.027
171 H LEU 28 H LEU 28 -8.433 5.765 0.587
172 HA LEU 28 HA LEU 28 -5.708 5.285 0.987
173 HB2 LEU 28 1HB LEU 28 -6.951 3.551 0.030
174 HB3 LEU 28 2HB LEU 28 -7.614 4.599 -1.222
175 HG LEU 28 HG LEU 28 -5.372 4.684 -2.276
176 HD11 LEU 28 1HD1 LEU 28 -3.546 3.880 -1.300
177 HD12 LEU 28 2HD1 LEU 28 -4.326 2.337 -0.954
178 HD13 LEU 28 3HD1 LEU 28 -4.507 3.687 0.166
179 HD21 LEU 28 3HD2 LEU 28 -7.106 3.074 -2.987
180 HD22 LEU 28 1HD2 LEU 28 -6.425 1.886 -1.875
181 HD23 LEU 28 2HD2 LEU 28 -5.467 2.471 -3.236
182 H SER 29 H SER 29 -7.306 6.951 -1.730
183 HA SER 29 HA SER 29 -5.132 7.673 -3.219
184 HB2 SER 29 1HB SER 29 -7.610 9.311 -2.640
185 HB3 SER 29 2HB SER 29 -6.455 9.679 -3.920
186 HG SER 29 HG SER 29 -7.860 7.225 -3.679
187 H VAL 30 H VAL 30 -6.528 9.585 -0.554
188 HA VAL 30 HA VAL 30 -4.619 11.631 -0.570
189 HB VAL 30 HB VAL 30 -6.254 10.575 1.740
190 HG11 VAL 30 1HG1 VAL 30 -5.490 13.361 1.889
191 HG12 VAL 30 2HG1 VAL 30 -5.319 12.079 3.090
192 HG13 VAL 30 3HG1 VAL 30 -4.080 12.302 1.855
193 HG21 VAL 30 3HG2 VAL 30 -6.801 12.378 -0.519
194 HG22 VAL 30 1HG2 VAL 30 -7.905 11.403 0.452
195 HG23 VAL 30 2HG2 VAL 30 -7.338 12.960 1.056
196 H HIS 31 H HIS 31 -4.781 8.704 1.454
197 HA HIS 31 HA HIS 31 -2.531 9.052 2.988
198 HB2 HIS 31 1HB HIS 31 -3.681 7.162 3.604
199 HB3 HIS 31 2HB HIS 31 -3.967 6.663 1.940
200 HD1 HIS 31 HD1 HIS 31 -1.262 6.635 4.575
201 HD2 HIS 31 HD2 HIS 31 -2.181 4.829 0.948
202 HE1 HIS 31 HE1 HIS 31 0.441 4.808 4.284
203 H GLN 32 H GLN 32 -2.712 7.641 -0.266
204 HA GLN 32 HA GLN 32 -0.119 6.842 -0.637
205 HB2 GLN 32 1HB GLN 32 -2.136 8.028 -2.514
206 HB3 GLN 32 2HB GLN 32 -0.521 7.629 -3.086
207 HG2 GLN 32 1HG GLN 32 -0.913 5.305 -2.188
208 HG3 GLN 32 2HG GLN 32 -2.599 5.772 -1.970
209 HE21 GLN 32 1HE2 GLN 32 -3.916 5.989 -3.737
210 HE22 GLN 32 2HE2 GLN 32 -3.453 5.501 -5.328
211 H ARG 33 H ARG 33 -1.346 10.080 -0.424
212 HA ARG 33 HA ARG 33 0.569 11.576 -1.707
213 HB2 ARG 33 1HB ARG 33 -0.867 12.130 0.890
214 HB3 ARG 33 2HB ARG 33 0.115 13.324 0.053
215 HG2 ARG 33 1HG ARG 33 -1.351 13.305 -1.835
216 HG3 ARG 33 2HG ARG 33 -2.260 11.944 -1.174
217 HD2 ARG 33 1HD ARG 33 -3.548 13.880 -0.739
218 HD3 ARG 33 2HD ARG 33 -2.809 13.421 0.794
219 HE ARG 33 HE ARG 33 -1.052 15.206 -0.142
220 HH11 ARG 33 1HH1 ARG 33 -4.523 15.297 0.102
221 HH12 ARG 33 2HH1 ARG 33 -4.595 17.016 0.304
222 HH21 ARG 33 1HH2 ARG 33 -1.133 17.470 0.123
223 HH22 ARG 33 2HH2 ARG 33 -2.666 18.252 0.315
224 H ILE 34 H ILE 34 0.721 10.177 1.542
225 HA ILE 34 HA ILE 34 3.018 11.284 2.528
226 HB ILE 34 HB ILE 34 3.296 9.385 3.921
227 HG12 ILE 34 1HG1 ILE 34 1.579 7.824 1.979
228 HG13 ILE 34 2HG1 ILE 34 3.331 7.699 2.098
229 HG21 ILE 34 1HG2 ILE 34 0.719 10.507 3.433
230 HG22 ILE 34 2HG2 ILE 34 0.531 8.822 3.913
231 HG23 ILE 34 3HG2 ILE 34 1.412 9.941 4.952
232 HD11 ILE 34 3HD1 ILE 34 1.280 6.888 4.133
233 HD12 ILE 34 1HD1 ILE 34 2.428 5.864 3.270
234 HD13 ILE 34 2HD1 ILE 34 3.003 7.002 4.489
235 H HIS 35 H HIS 35 2.716 8.836 0.039
236 HA HIS 35 HA HIS 35 5.528 8.237 -0.036
237 HB2 HIS 35 1HB HIS 35 3.509 7.617 -2.190
238 HB3 HIS 35 2HB HIS 35 5.015 6.774 -1.841
239 HD1 HIS 35 HD1 HIS 35 4.845 6.009 0.998
240 HD2 HIS 35 HD2 HIS 35 1.495 5.986 -1.459
241 HE1 HIS 35 HE1 HIS 35 3.214 4.443 2.099
242 H SER 36 H SER 36 3.388 10.505 -1.554
243 HA SER 36 HA SER 36 3.728 12.220 -3.009
244 HB2 SER 36 1HB SER 36 5.722 12.462 -1.298
245 HB3 SER 36 2HB SER 36 6.696 11.998 -2.693
246 HG SER 36 HG SER 36 4.783 14.075 -2.825
247 H GLY 37 H GLY 37 3.644 9.528 -4.025
248 HA2 GLY 37 1HA GLY 37 4.172 8.281 -5.897
249 HA3 GLY 37 2HA GLY 37 4.066 9.847 -6.689
250 H LYS 38 H LYS 38 6.258 7.575 -5.126
251 HA LYS 38 HA LYS 38 8.651 8.967 -5.654
252 HB2 LYS 38 1HB LYS 38 8.482 7.118 -4.034
253 HB3 LYS 38 2HB LYS 38 8.213 5.989 -5.356
254 HG2 LYS 38 1HG LYS 38 10.434 5.664 -5.057
255 HG3 LYS 38 2HG LYS 38 10.510 7.010 -6.196
256 HD2 LYS 38 1HD LYS 38 10.349 7.673 -3.309
257 HD3 LYS 38 2HD LYS 38 11.867 6.995 -3.902
258 HE2 LYS 38 1HE LYS 38 10.618 9.195 -5.460
259 HE3 LYS 38 2HE LYS 38 11.382 9.603 -3.924
260 HZ1 LYS 38 3HZ LYS 38 13.051 9.830 -5.524
261 HZ2 LYS 38 1HZ LYS 38 12.626 8.400 -6.322
262 HZ3 LYS 38 2HZ LYS 38 13.370 8.332 -4.805
263 H LYS 39 H LYS 39 9.523 9.438 -7.551
264 HA LYS 39 HA LYS 39 8.746 7.935 -9.923
265 HB2 LYS 39 1HB LYS 39 10.117 9.752 -11.083
266 HB3 LYS 39 2HB LYS 39 8.639 10.260 -10.277
267 HG2 LYS 39 1HG LYS 39 9.895 11.096 -8.400
268 HG3 LYS 39 2HG LYS 39 11.397 10.477 -9.089
269 HD2 LYS 39 1HD LYS 39 11.500 12.682 -9.733
270 HD3 LYS 39 2HD LYS 39 10.706 11.964 -11.137
271 HE2 LYS 39 1HE LYS 39 9.437 13.871 -10.664
272 HE3 LYS 39 2HE LYS 39 8.510 12.546 -9.961
273 HZ1 LYS 39 3HZ LYS 39 9.054 13.177 -7.832
274 HZ2 LYS 39 1HZ LYS 39 8.915 14.682 -8.594
275 HZ3 LYS 39 2HZ LYS 39 10.443 14.019 -8.303
276 HA PRO 40 HA PRO 40 12.467 5.509 -9.675
277 HB2 PRO 40 1HB PRO 40 12.100 4.182 -12.015
278 HB3 PRO 40 2HB PRO 40 11.213 3.787 -10.538
279 HG2 PRO 40 1HG PRO 40 10.343 5.424 -12.888
280 HG3 PRO 40 2HG PRO 40 9.436 4.202 -11.978
281 HD2 PRO 40 1HD PRO 40 9.100 6.860 -11.583
282 HD3 PRO 40 2HD PRO 40 8.920 5.670 -10.278
283 H SER 41 H SER 41 11.531 7.072 -12.737
284 HA SER 41 HA SER 41 14.091 8.340 -12.978
285 HB2 SER 41 1HB SER 41 14.617 7.282 -15.206
286 HB3 SER 41 2HB SER 41 14.793 6.203 -13.822
287 HG SER 41 HG SER 41 12.316 6.273 -15.102
288 H GLY 42 H GLY 42 13.434 10.309 -13.536
289 HA2 GLY 42 1HA GLY 42 11.093 10.643 -15.244
290 HA3 GLY 42 2HA GLY 42 11.934 11.914 -14.369
291 HA PRO 43 HA PRO 43 13.037 12.459 -18.795
292 HB2 PRO 43 1HB PRO 43 13.021 15.171 -18.684
293 HB3 PRO 43 2HB PRO 43 11.561 14.212 -18.956
294 HG2 PRO 43 1HG PRO 43 12.565 15.460 -16.427
295 HG3 PRO 43 2HG PRO 43 10.914 15.412 -17.072
296 HD2 PRO 43 1HD PRO 43 11.763 13.742 -15.117
297 HD3 PRO 43 2HD PRO 43 10.548 13.264 -16.320
298 H SER 44 H SER 44 14.733 14.262 -19.602
299 HA SER 44 HA SER 44 17.111 13.818 -17.949
300 HB2 SER 44 1HB SER 44 16.865 14.672 -20.844
301 HB3 SER 44 2HB SER 44 18.382 14.378 -19.995
302 HG SER 44 HG SER 44 16.348 12.518 -20.640
303 H SER 45 H SER 45 16.797 15.465 -16.427
304 HA SER 45 HA SER 45 16.877 18.215 -17.466
305 HB2 SER 45 1HB SER 45 15.016 17.635 -15.906
306 HB3 SER 45 2HB SER 45 16.215 17.293 -14.659
307 HG SER 45 HG SER 45 15.230 19.483 -14.723
308 H GLY 46 H GLY 46 18.247 16.239 -14.828
309 HA2 GLY 46 1HA GLY 46 20.844 16.402 -15.052
310 HA3 GLY 46 2HA GLY 46 20.518 18.090 -14.685
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -4.074 -32.342 3.700
2 HA2 GLY 1 1HA GLY 1 -6.465 -32.038 5.022
3 HA3 GLY 1 2HA GLY 1 -5.258 -32.138 6.296
4 H SER 2 H SER 2 -6.847 -30.107 4.141
5 HA SER 2 HA SER 2 -5.308 -27.835 5.051
6 HB2 SER 2 1HB SER 2 -5.284 -28.744 2.186
7 HB3 SER 2 2HB SER 2 -5.125 -27.033 2.581
8 HG SER 2 HG SER 2 -3.417 -29.172 3.284
9 H SER 3 H SER 3 -6.378 -25.841 4.745
10 HA SER 3 HA SER 3 -9.180 -26.083 3.861
11 HB2 SER 3 1HB SER 3 -9.899 -24.685 5.652
12 HB3 SER 3 2HB SER 3 -8.836 -25.893 6.374
13 HG SER 3 HG SER 3 -7.668 -24.300 7.054
14 H GLY 4 H GLY 4 -10.088 -24.324 2.787
15 HA2 GLY 4 1HA GLY 4 -8.228 -22.143 2.085
16 HA3 GLY 4 2HA GLY 4 -9.121 -22.998 0.835
17 H SER 5 H SER 5 -11.614 -23.172 1.625
18 HA SER 5 HA SER 5 -12.631 -20.565 1.328
19 HB2 SER 5 1HB SER 5 -14.086 -23.038 2.294
20 HB3 SER 5 2HB SER 5 -14.835 -21.578 1.648
21 HG SER 5 HG SER 5 -13.198 -23.447 0.288
22 H SER 6 H SER 6 -12.110 -19.120 2.889
23 HA SER 6 HA SER 6 -13.124 -19.687 5.595
24 HB2 SER 6 1HB SER 6 -10.448 -18.672 4.752
25 HB3 SER 6 2HB SER 6 -11.155 -18.008 6.225
26 HG SER 6 HG SER 6 -11.508 -20.380 6.721
27 H GLY 7 H GLY 7 -14.500 -18.215 6.365
28 HA2 GLY 7 1HA GLY 7 -15.307 -16.007 4.752
29 HA3 GLY 7 2HA GLY 7 -15.890 -16.379 6.367
30 H THR 8 H THR 8 -13.377 -14.757 4.527
31 HA THR 8 HA THR 8 -12.861 -13.062 6.878
32 HB THR 8 HB THR 8 -10.741 -13.871 4.883
33 HG1 THR 8 HG1 THR 8 -10.717 -15.666 6.009
34 HG21 THR 8 3HG2 THR 8 -10.887 -11.818 6.839
35 HG22 THR 8 1HG2 THR 8 -9.516 -12.269 5.827
36 HG23 THR 8 2HG2 THR 8 -9.731 -13.023 7.406
37 H GLY 9 H GLY 9 -14.239 -11.448 6.101
38 HA2 GLY 9 1HA GLY 9 -14.200 -10.424 3.475
39 HA3 GLY 9 2HA GLY 9 -14.826 -9.589 4.889
40 H GLU 10 H GLU 10 -12.337 -9.737 2.585
41 HA GLU 10 HA GLU 10 -10.596 -7.971 4.147
42 HB2 GLU 10 1HB GLU 10 -8.919 -8.377 2.416
43 HB3 GLU 10 2HB GLU 10 -9.525 -9.892 3.070
44 HG2 GLU 10 1HG GLU 10 -11.181 -9.693 1.019
45 HG3 GLU 10 2HG GLU 10 -9.865 -8.717 0.371
46 H LYS 11 H LYS 11 -10.178 -5.890 3.575
47 HA LYS 11 HA LYS 11 -12.086 -4.438 2.150
48 HB2 LYS 11 1HB LYS 11 -9.236 -3.716 2.852
49 HB3 LYS 11 2HB LYS 11 -10.420 -2.575 2.228
50 HG2 LYS 11 1HG LYS 11 -11.795 -2.848 4.175
51 HG3 LYS 11 2HG LYS 11 -10.754 -4.140 4.778
52 HD2 LYS 11 1HD LYS 11 -9.515 -1.500 4.196
53 HD3 LYS 11 2HD LYS 11 -10.526 -1.643 5.636
54 HE2 LYS 11 1HE LYS 11 -8.388 -3.661 5.074
55 HE3 LYS 11 2HE LYS 11 -7.979 -2.112 5.809
56 HZ1 LYS 11 3HZ LYS 11 -9.636 -2.608 7.552
57 HZ2 LYS 11 1HZ LYS 11 -8.355 -3.713 7.524
58 HZ3 LYS 11 2HZ LYS 11 -9.858 -4.145 6.881
59 HA PRO 12 HA PRO 12 -10.973 -5.076 -2.068
60 HB2 PRO 12 1HB PRO 12 -12.198 -2.903 -3.139
61 HB3 PRO 12 2HB PRO 12 -13.084 -4.325 -2.575
62 HG2 PRO 12 1HG PRO 12 -12.627 -1.708 -1.195
63 HG3 PRO 12 2HG PRO 12 -14.110 -2.675 -1.297
64 HD2 PRO 12 1HD PRO 12 -12.510 -2.687 0.887
65 HD3 PRO 12 2HD PRO 12 -13.438 -4.112 0.375
66 H TYR 13 H TYR 13 -10.235 -2.110 -0.378
67 HA TYR 13 HA TYR 13 -8.264 -1.389 -2.433
68 HB2 TYR 13 1HB TYR 13 -9.131 0.305 -0.090
69 HB3 TYR 13 2HB TYR 13 -8.274 0.824 -1.537
70 HD1 TYR 13 HD2 TYR 13 -9.472 0.998 -3.691
71 HD2 TYR 13 HD1 TYR 13 -11.514 0.066 -0.076
72 HE1 TYR 13 HE2 TYR 13 -11.613 1.562 -4.761
73 HE2 TYR 13 HE1 TYR 13 -13.661 0.626 -1.137
74 HH TYR 13 HH TYR 13 -14.204 2.346 -3.395
75 H GLU 14 H GLU 14 -6.133 -1.496 -2.048
76 HA GLU 14 HA GLU 14 -5.078 -1.536 0.639
77 HB2 GLU 14 1HB GLU 14 -5.742 -3.891 0.292
78 HB3 GLU 14 2HB GLU 14 -4.731 -3.952 -1.145
79 HG2 GLU 14 1HG GLU 14 -3.296 -4.870 0.345
80 HG3 GLU 14 2HG GLU 14 -2.875 -3.173 0.566
81 H CYS 15 H CYS 15 -3.424 -0.185 0.502
82 HA CYS 15 HA CYS 15 -2.171 0.599 -1.876
83 HB2 CYS 15 1HB CYS 15 -2.227 1.661 0.553
84 HB3 CYS 15 2HB CYS 15 -0.694 0.810 0.709
85 H SER 16 H SER 16 -0.192 0.100 -2.797
86 HA SER 16 HA SER 16 0.899 -2.511 -2.010
87 HB2 SER 16 1HB SER 16 0.175 -2.561 -4.276
88 HB3 SER 16 2HB SER 16 0.928 -1.006 -4.627
89 HG SER 16 HG SER 16 2.154 -2.797 -5.402
90 H VAL 17 H VAL 17 1.976 0.674 -3.185
91 HA VAL 17 HA VAL 17 4.653 0.538 -3.052
92 HB VAL 17 HB VAL 17 4.648 2.892 -2.102
93 HG11 VAL 17 1HG1 VAL 17 4.459 2.204 -4.549
94 HG12 VAL 17 2HG1 VAL 17 2.738 2.568 -4.399
95 HG13 VAL 17 3HG1 VAL 17 3.936 3.835 -4.131
96 HG21 VAL 17 3HG2 VAL 17 1.885 2.113 -1.585
97 HG22 VAL 17 1HG2 VAL 17 2.847 3.415 -0.884
98 HG23 VAL 17 2HG2 VAL 17 2.031 3.654 -2.429
99 H CYS 18 H CYS 18 2.534 0.915 -0.229
100 HA CYS 18 HA CYS 18 4.844 0.332 1.501
101 HB2 CYS 18 1HB CYS 18 3.607 1.403 3.311
102 HB3 CYS 18 2HB CYS 18 3.746 2.497 1.938
103 H GLY 19 H GLY 19 1.454 -0.461 0.880
104 HA2 GLY 19 1HA GLY 19 0.759 -2.775 0.969
105 HA3 GLY 19 2HA GLY 19 1.900 -3.015 2.283
106 H LYS 20 H LYS 20 -0.063 -0.163 2.239
107 HA LYS 20 HA LYS 20 -1.307 -0.959 4.723
108 HB2 LYS 20 1HB LYS 20 -0.418 1.399 4.016
109 HB3 LYS 20 2HB LYS 20 -1.992 1.558 3.247
110 HG2 LYS 20 1HG LYS 20 -3.117 1.609 5.240
111 HG3 LYS 20 2HG LYS 20 -1.871 0.694 6.092
112 HD2 LYS 20 1HD LYS 20 -0.420 2.830 5.564
113 HD3 LYS 20 2HD LYS 20 -2.003 3.604 5.462
114 HE2 LYS 20 1HE LYS 20 -2.370 2.306 7.741
115 HE3 LYS 20 2HE LYS 20 -0.611 2.406 7.800
116 HZ1 LYS 20 3HZ LYS 20 -1.709 4.906 7.065
117 HZ2 LYS 20 1HZ LYS 20 -0.744 4.519 8.400
118 HZ3 LYS 20 2HZ LYS 20 -2.426 4.370 8.501
119 H ALA 21 H ALA 21 -3.716 -0.348 4.970
120 HA ALA 21 HA ALA 21 -5.235 -1.196 2.599
121 HB1 ALA 21 3HB ALA 21 -6.428 -2.824 3.732
122 HB2 ALA 21 1HB ALA 21 -4.801 -3.023 4.385
123 HB3 ALA 21 2HB ALA 21 -6.027 -2.162 5.317
124 H PHE 22 H PHE 22 -7.472 -0.557 2.603
125 HA PHE 22 HA PHE 22 -8.363 1.333 4.607
126 HB2 PHE 22 1HB PHE 22 -8.111 2.232 1.731
127 HB3 PHE 22 2HB PHE 22 -8.685 3.188 3.093
128 HD1 PHE 22 HD2 PHE 22 -7.136 4.080 4.730
129 HD2 PHE 22 HD1 PHE 22 -5.763 1.813 1.400
130 HE1 PHE 22 HE2 PHE 22 -4.844 4.877 5.137
131 HE2 PHE 22 HE1 PHE 22 -3.468 2.606 1.802
132 HZ PHE 22 HZ PHE 22 -3.007 4.141 3.671
133 H SER 23 H SER 23 -10.608 2.033 4.234
134 HA SER 23 HA SER 23 -12.145 -0.161 3.092
135 HB2 SER 23 1HB SER 23 -14.046 1.410 4.140
136 HB3 SER 23 2HB SER 23 -13.104 0.289 5.123
137 HG SER 23 HG SER 23 -12.958 2.210 6.156
138 H HIS 24 H HIS 24 -11.830 3.351 2.763
139 HA HIS 24 HA HIS 24 -13.345 3.174 0.242
140 HB2 HIS 24 1HB HIS 24 -14.066 4.674 2.358
141 HB3 HIS 24 2HB HIS 24 -13.001 5.817 1.545
142 HD1 HIS 24 HD1 HIS 24 -13.895 6.976 -0.507
143 HD2 HIS 24 HD2 HIS 24 -16.352 3.892 0.802
144 HE1 HIS 24 HE1 HIS 24 -16.005 7.177 -1.860
145 H ARG 25 H ARG 25 -12.707 4.825 -1.398
146 HA ARG 25 HA ARG 25 -9.909 4.656 -1.888
147 HB2 ARG 25 1HB ARG 25 -12.194 6.026 -3.283
148 HB3 ARG 25 2HB ARG 25 -10.534 6.255 -3.816
149 HG2 ARG 25 1HG ARG 25 -11.871 3.571 -3.571
150 HG3 ARG 25 2HG ARG 25 -11.780 4.508 -5.064
151 HD2 ARG 25 1HD ARG 25 -9.216 4.536 -4.524
152 HD3 ARG 25 2HD ARG 25 -9.615 3.120 -3.552
153 HE ARG 25 HE ARG 25 -9.838 1.922 -5.482
154 HH11 ARG 25 1HH1 ARG 25 -10.045 5.313 -6.240
155 HH12 ARG 25 2HH1 ARG 25 -10.071 5.062 -7.954
156 HH21 ARG 25 1HH2 ARG 25 -9.872 1.578 -7.736
157 HH22 ARG 25 2HH2 ARG 25 -9.974 2.937 -8.804
158 H GLN 26 H GLN 26 -12.057 7.447 -1.321
159 HA GLN 26 HA GLN 26 -10.397 9.545 -1.374
160 HB2 GLN 26 1HB GLN 26 -12.869 9.279 -0.469
161 HB3 GLN 26 2HB GLN 26 -12.062 9.318 1.093
162 HG2 GLN 26 1HG GLN 26 -11.553 11.428 -0.968
163 HG3 GLN 26 2HG GLN 26 -12.944 11.513 0.112
164 HE21 GLN 26 1HE2 GLN 26 -10.559 13.228 -0.133
165 HE22 GLN 26 2HE2 GLN 26 -9.853 13.266 1.444
166 H SER 27 H SER 27 -10.491 7.135 1.200
167 HA SER 27 HA SER 27 -8.604 8.453 2.878
168 HB2 SER 27 1HB SER 27 -9.670 5.633 2.779
169 HB3 SER 27 2HB SER 27 -8.443 6.127 3.945
170 HG SER 27 HG SER 27 -10.788 7.646 3.684
171 H LEU 28 H LEU 28 -8.318 5.537 0.842
172 HA LEU 28 HA LEU 28 -5.608 5.099 1.130
173 HB2 LEU 28 1HB LEU 28 -6.831 3.439 0.036
174 HB3 LEU 28 2HB LEU 28 -7.512 4.578 -1.123
175 HG LEU 28 HG LEU 28 -5.287 4.765 -2.190
176 HD11 LEU 28 1HD1 LEU 28 -4.571 2.720 -0.109
177 HD12 LEU 28 2HD1 LEU 28 -3.776 4.254 -0.462
178 HD13 LEU 28 3HD1 LEU 28 -3.655 2.916 -1.603
179 HD21 LEU 28 3HD2 LEU 28 -6.136 3.225 -3.542
180 HD22 LEU 28 1HD2 LEU 28 -7.077 2.535 -2.220
181 HD23 LEU 28 2HD2 LEU 28 -5.432 1.972 -2.518
182 H SER 29 H SER 29 -7.276 7.312 -1.050
183 HA SER 29 HA SER 29 -5.036 8.062 -2.588
184 HB2 SER 29 1HB SER 29 -7.616 9.512 -1.971
185 HB3 SER 29 2HB SER 29 -6.415 10.113 -3.113
186 HG SER 29 HG SER 29 -7.064 8.694 -4.524
187 H VAL 30 H VAL 30 -6.655 9.895 0.013
188 HA VAL 30 HA VAL 30 -4.790 11.917 0.285
189 HB VAL 30 HB VAL 30 -6.437 10.657 2.483
190 HG11 VAL 30 1HG1 VAL 30 -6.222 12.965 3.495
191 HG12 VAL 30 2HG1 VAL 30 -4.766 11.968 3.523
192 HG13 VAL 30 3HG1 VAL 30 -4.931 13.257 2.330
193 HG21 VAL 30 3HG2 VAL 30 -7.424 13.174 1.573
194 HG22 VAL 30 1HG2 VAL 30 -7.216 12.105 0.186
195 HG23 VAL 30 2HG2 VAL 30 -8.217 11.600 1.547
196 H HIS 31 H HIS 31 -4.429 8.619 1.014
197 HA HIS 31 HA HIS 31 -2.291 9.054 2.949
198 HB2 HIS 31 1HB HIS 31 -3.452 7.202 3.654
199 HB3 HIS 31 2HB HIS 31 -3.863 6.702 2.016
200 HD1 HIS 31 HD1 HIS 31 -0.960 6.644 4.439
201 HD2 HIS 31 HD2 HIS 31 -2.227 4.784 0.946
202 HE1 HIS 31 HE1 HIS 31 0.662 4.761 4.053
203 H GLN 32 H GLN 32 -2.642 7.192 -0.078
204 HA GLN 32 HA GLN 32 -0.097 6.522 -0.630
205 HB2 GLN 32 1HB GLN 32 -2.282 7.496 -2.436
206 HB3 GLN 32 2HB GLN 32 -0.702 7.108 -3.102
207 HG2 GLN 32 1HG GLN 32 -0.878 4.853 -2.510
208 HG3 GLN 32 2HG GLN 32 -2.208 5.161 -1.395
209 HE21 GLN 32 1HE2 GLN 32 -1.825 3.426 -3.850
210 HE22 GLN 32 2HE2 GLN 32 -3.209 3.771 -4.825
211 H ARG 33 H ARG 33 -1.491 9.738 -1.107
212 HA ARG 33 HA ARG 33 0.451 11.058 -2.469
213 HB2 ARG 33 1HB ARG 33 -0.121 13.064 -1.004
214 HB3 ARG 33 2HB ARG 33 -1.459 12.290 -1.844
215 HG2 ARG 33 1HG ARG 33 -2.219 11.244 0.138
216 HG3 ARG 33 2HG ARG 33 -0.744 11.671 1.007
217 HD2 ARG 33 1HD ARG 33 -2.336 13.211 1.762
218 HD3 ARG 33 2HD ARG 33 -1.396 14.099 0.563
219 HE ARG 33 HE ARG 33 -3.564 12.978 -0.761
220 HH11 ARG 33 1HH1 ARG 33 -2.984 15.307 1.761
221 HH12 ARG 33 2HH1 ARG 33 -4.407 16.232 1.414
222 HH21 ARG 33 1HH2 ARG 33 -5.441 14.187 -1.228
223 HH22 ARG 33 2HH2 ARG 33 -5.804 15.593 -0.286
224 H ILE 34 H ILE 34 0.498 10.260 0.980
225 HA ILE 34 HA ILE 34 2.703 11.610 1.856
226 HB ILE 34 HB ILE 34 2.955 10.027 3.576
227 HG12 ILE 34 1HG1 ILE 34 1.605 8.011 1.766
228 HG13 ILE 34 2HG1 ILE 34 3.319 8.051 2.165
229 HG21 ILE 34 1HG2 ILE 34 0.943 10.488 4.387
230 HG22 ILE 34 2HG2 ILE 34 0.380 10.853 2.757
231 HG23 ILE 34 3HG2 ILE 34 0.231 9.216 3.396
232 HD11 ILE 34 3HD1 ILE 34 1.711 6.423 3.399
233 HD12 ILE 34 1HD1 ILE 34 2.978 7.265 4.291
234 HD13 ILE 34 2HD1 ILE 34 1.315 7.849 4.357
235 H HIS 35 H HIS 35 2.632 8.683 -0.101
236 HA HIS 35 HA HIS 35 5.447 8.219 0.012
237 HB2 HIS 35 1HB HIS 35 3.607 7.231 -2.160
238 HB3 HIS 35 2HB HIS 35 5.075 6.476 -1.546
239 HD1 HIS 35 HD1 HIS 35 4.623 6.213 1.369
240 HD2 HIS 35 HD2 HIS 35 1.558 5.663 -1.382
241 HE1 HIS 35 HE1 HIS 35 2.904 4.807 2.549
242 H SER 36 H SER 36 3.330 10.099 -2.021
243 HA SER 36 HA SER 36 5.343 10.549 -4.047
244 HB2 SER 36 1HB SER 36 3.014 10.466 -4.738
245 HB3 SER 36 2HB SER 36 2.607 11.777 -3.631
246 HG SER 36 HG SER 36 2.921 12.452 -5.834
247 H GLY 37 H GLY 37 7.008 11.444 -2.709
248 HA2 GLY 37 1HA GLY 37 7.128 14.242 -2.742
249 HA3 GLY 37 2HA GLY 37 6.686 13.745 -1.116
250 H LYS 38 H LYS 38 8.216 11.291 -1.171
251 HA LYS 38 HA LYS 38 10.825 12.447 -0.602
252 HB2 LYS 38 1HB LYS 38 11.319 10.278 0.442
253 HB3 LYS 38 2HB LYS 38 9.829 10.973 1.068
254 HG2 LYS 38 1HG LYS 38 8.509 9.381 0.085
255 HG3 LYS 38 2HG LYS 38 9.673 9.053 -1.201
256 HD2 LYS 38 1HD LYS 38 10.204 8.358 1.678
257 HD3 LYS 38 2HD LYS 38 9.386 7.252 0.571
258 HE2 LYS 38 1HE LYS 38 11.361 7.467 -0.955
259 HE3 LYS 38 2HE LYS 38 12.173 8.372 0.321
260 HZ1 LYS 38 3HZ LYS 38 11.570 5.524 0.158
261 HZ2 LYS 38 1HZ LYS 38 11.458 6.238 1.688
262 HZ3 LYS 38 2HZ LYS 38 12.911 6.310 0.825
263 H LYS 39 H LYS 39 10.336 12.483 -3.292
264 HA LYS 39 HA LYS 39 12.252 10.477 -4.268
265 HB2 LYS 39 1HB LYS 39 10.930 10.513 -6.447
266 HB3 LYS 39 2HB LYS 39 10.206 9.646 -5.098
267 HG2 LYS 39 1HG LYS 39 8.387 10.801 -5.795
268 HG3 LYS 39 2HG LYS 39 9.060 12.000 -4.687
269 HD2 LYS 39 1HD LYS 39 8.586 13.217 -6.628
270 HD3 LYS 39 2HD LYS 39 10.319 12.899 -6.733
271 HE2 LYS 39 1HE LYS 39 9.964 11.119 -8.291
272 HE3 LYS 39 2HE LYS 39 8.218 11.193 -8.058
273 HZ1 LYS 39 3HZ LYS 39 8.387 12.405 -9.947
274 HZ2 LYS 39 1HZ LYS 39 9.961 12.934 -9.623
275 HZ3 LYS 39 2HZ LYS 39 8.648 13.664 -8.847
276 HA PRO 40 HA PRO 40 14.413 13.907 -5.969
277 HB2 PRO 40 1HB PRO 40 15.712 12.678 -8.010
278 HB3 PRO 40 2HB PRO 40 16.160 12.457 -6.315
279 HG2 PRO 40 1HG PRO 40 14.515 10.690 -8.085
280 HG3 PRO 40 2HG PRO 40 15.781 10.245 -6.926
281 HD2 PRO 40 1HD PRO 40 13.142 10.030 -6.356
282 HD3 PRO 40 2HD PRO 40 14.358 10.408 -5.119
283 H SER 41 H SER 41 13.059 15.371 -6.888
284 HA SER 41 HA SER 41 12.360 14.935 -9.710
285 HB2 SER 41 1HB SER 41 10.293 14.575 -8.581
286 HB3 SER 41 2HB SER 41 10.557 15.951 -7.511
287 HG SER 41 HG SER 41 10.606 16.629 -10.157
288 H GLY 42 H GLY 42 13.958 16.264 -10.491
289 HA2 GLY 42 1HA GLY 42 13.751 19.105 -9.701
290 HA3 GLY 42 2HA GLY 42 15.283 18.337 -10.089
291 HA PRO 43 HA PRO 43 14.890 19.422 -14.312
292 HB2 PRO 43 1HB PRO 43 15.783 17.213 -15.612
293 HB3 PRO 43 2HB PRO 43 16.851 18.293 -14.708
294 HG2 PRO 43 1HG PRO 43 15.664 15.674 -13.877
295 HG3 PRO 43 2HG PRO 43 17.313 16.280 -13.640
296 HD2 PRO 43 1HD PRO 43 15.446 16.331 -11.679
297 HD3 PRO 43 2HD PRO 43 16.714 17.565 -11.823
298 H SER 44 H SER 44 12.867 17.180 -12.956
299 HA SER 44 HA SER 44 11.213 17.087 -15.383
300 HB2 SER 44 1HB SER 44 10.553 14.776 -14.869
301 HB3 SER 44 2HB SER 44 12.294 14.890 -15.127
302 HG SER 44 HG SER 44 12.476 15.010 -12.795
303 H SER 45 H SER 45 9.292 17.957 -15.027
304 HA SER 45 HA SER 45 8.122 17.760 -12.332
305 HB2 SER 45 1HB SER 45 8.860 20.010 -12.442
306 HB3 SER 45 2HB SER 45 8.323 20.187 -14.113
307 HG SER 45 HG SER 45 6.798 21.167 -12.855
308 H GLY 46 H GLY 46 6.100 17.005 -12.280
309 HA2 GLY 46 1HA GLY 46 4.820 16.178 -14.700
310 HA3 GLY 46 2HA GLY 46 4.174 16.017 -13.074
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -13.884 -22.344 11.724
2 HA2 GLY 1 1HA GLY 1 -11.695 -22.014 12.862
3 HA3 GLY 1 2HA GLY 1 -11.107 -23.348 11.880
4 H SER 2 H SER 2 -12.181 -20.005 11.835
5 HA SER 2 HA SER 2 -10.656 -19.630 9.350
6 HB2 SER 2 1HB SER 2 -13.312 -18.305 9.940
7 HB3 SER 2 2HB SER 2 -12.347 -18.121 8.476
8 HG SER 2 HG SER 2 -12.820 -20.184 7.896
9 H SER 3 H SER 3 -9.910 -17.429 9.010
10 HA SER 3 HA SER 3 -9.378 -16.089 11.569
11 HB2 SER 3 1HB SER 3 -7.483 -16.922 10.035
12 HB3 SER 3 2HB SER 3 -7.907 -15.565 8.992
13 HG SER 3 HG SER 3 -6.403 -15.547 11.178
14 H GLY 4 H GLY 4 -9.319 -13.737 11.602
15 HA2 GLY 4 1HA GLY 4 -10.345 -12.132 9.526
16 HA3 GLY 4 2HA GLY 4 -11.662 -12.577 10.601
17 H SER 5 H SER 5 -10.751 -9.931 10.152
18 HA SER 5 HA SER 5 -9.768 -9.273 12.849
19 HB2 SER 5 1HB SER 5 -7.994 -8.873 11.184
20 HB3 SER 5 2HB SER 5 -9.082 -7.817 10.283
21 HG SER 5 HG SER 5 -7.768 -7.382 12.706
22 H SER 6 H SER 6 -10.498 -7.252 13.713
23 HA SER 6 HA SER 6 -12.942 -6.225 12.426
24 HB2 SER 6 1HB SER 6 -12.472 -7.116 15.237
25 HB3 SER 6 2HB SER 6 -13.561 -5.756 14.966
26 HG SER 6 HG SER 6 -14.934 -7.353 14.691
27 H GLY 7 H GLY 7 -12.834 -4.136 11.957
28 HA2 GLY 7 1HA GLY 7 -11.435 -2.316 13.768
29 HA3 GLY 7 2HA GLY 7 -10.857 -2.396 12.110
30 H THR 8 H THR 8 -12.623 -2.093 10.420
31 HA THR 8 HA THR 8 -14.653 -0.176 11.337
32 HB THR 8 HB THR 8 -12.906 0.252 8.906
33 HG1 THR 8 HG1 THR 8 -11.936 0.599 11.075
34 HG21 THR 8 3HG2 THR 8 -15.354 1.530 9.940
35 HG22 THR 8 1HG2 THR 8 -14.723 1.453 8.295
36 HG23 THR 8 2HG2 THR 8 -14.075 2.633 9.434
37 H GLY 9 H GLY 9 -13.480 -2.059 8.548
38 HA2 GLY 9 1HA GLY 9 -15.780 -3.527 8.125
39 HA3 GLY 9 2HA GLY 9 -15.998 -2.043 7.210
40 H GLU 10 H GLU 10 -16.088 -3.966 5.578
41 HA GLU 10 HA GLU 10 -13.838 -5.337 4.743
42 HB2 GLU 10 1HB GLU 10 -16.074 -4.212 3.048
43 HB3 GLU 10 2HB GLU 10 -14.917 -5.421 2.509
44 HG2 GLU 10 1HG GLU 10 -16.471 -5.980 4.974
45 HG3 GLU 10 2HG GLU 10 -17.302 -6.077 3.422
46 H LYS 11 H LYS 11 -12.007 -4.828 3.713
47 HA LYS 11 HA LYS 11 -11.739 -2.086 2.664
48 HB2 LYS 11 1HB LYS 11 -9.627 -3.840 3.932
49 HB3 LYS 11 2HB LYS 11 -9.334 -2.254 3.231
50 HG2 LYS 11 1HG LYS 11 -10.345 -1.147 4.960
51 HG3 LYS 11 2HG LYS 11 -11.389 -2.511 5.367
52 HD2 LYS 11 1HD LYS 11 -9.923 -2.650 7.106
53 HD3 LYS 11 2HD LYS 11 -9.050 -3.637 5.932
54 HE2 LYS 11 1HE LYS 11 -7.904 -1.453 5.238
55 HE3 LYS 11 2HE LYS 11 -8.544 -0.790 6.741
56 HZ1 LYS 11 3HZ LYS 11 -6.652 -1.577 7.605
57 HZ2 LYS 11 1HZ LYS 11 -6.372 -2.645 6.322
58 HZ3 LYS 11 2HZ LYS 11 -7.423 -3.083 7.573
59 HA PRO 12 HA PRO 12 -11.164 -5.003 -0.885
60 HB2 PRO 12 1HB PRO 12 -12.559 -3.483 -2.650
61 HB3 PRO 12 2HB PRO 12 -13.327 -4.662 -1.581
62 HG2 PRO 12 1HG PRO 12 -13.098 -1.693 -1.273
63 HG3 PRO 12 2HG PRO 12 -14.494 -2.744 -0.975
64 HD2 PRO 12 1HD PRO 12 -12.913 -1.823 1.021
65 HD3 PRO 12 2HD PRO 12 -13.716 -3.405 1.092
66 H TYR 13 H TYR 13 -9.943 -2.154 0.111
67 HA TYR 13 HA TYR 13 -8.440 -1.739 -2.391
68 HB2 TYR 13 1HB TYR 13 -9.093 0.337 -0.289
69 HB3 TYR 13 2HB TYR 13 -8.200 0.614 -1.780
70 HD1 TYR 13 HD2 TYR 13 -9.366 0.566 -3.952
71 HD2 TYR 13 HD1 TYR 13 -11.488 0.186 -0.283
72 HE1 TYR 13 HE2 TYR 13 -11.469 1.072 -5.123
73 HE2 TYR 13 HE1 TYR 13 -13.597 0.690 -1.444
74 HH TYR 13 HH TYR 13 -14.568 0.772 -3.546
75 H GLU 14 H GLU 14 -6.220 -1.142 -2.178
76 HA GLU 14 HA GLU 14 -4.949 -1.278 0.406
77 HB2 GLU 14 1HB GLU 14 -5.309 -3.680 -0.277
78 HB3 GLU 14 2HB GLU 14 -4.235 -3.382 -1.637
79 HG2 GLU 14 1HG GLU 14 -2.508 -2.661 0.073
80 HG3 GLU 14 2HG GLU 14 -3.578 -3.355 1.290
81 H CYS 15 H CYS 15 -3.002 -0.261 0.426
82 HA CYS 15 HA CYS 15 -2.309 1.358 -1.796
83 HB2 CYS 15 1HB CYS 15 -1.878 1.639 0.805
84 HB3 CYS 15 2HB CYS 15 -0.351 0.860 0.402
85 H SER 16 H SER 16 -1.075 0.917 -3.494
86 HA SER 16 HA SER 16 0.289 -1.630 -3.652
87 HB2 SER 16 1HB SER 16 -1.085 -0.403 -5.516
88 HB3 SER 16 2HB SER 16 0.428 0.458 -5.802
89 HG SER 16 HG SER 16 0.574 -1.293 -7.080
90 H VAL 17 H VAL 17 1.280 0.529 -1.859
91 HA VAL 17 HA VAL 17 4.012 0.710 -2.949
92 HB VAL 17 HB VAL 17 2.571 2.774 -1.280
93 HG11 VAL 17 1HG1 VAL 17 5.436 2.700 -2.222
94 HG12 VAL 17 2HG1 VAL 17 4.649 4.087 -1.465
95 HG13 VAL 17 3HG1 VAL 17 4.875 2.594 -0.553
96 HG21 VAL 17 3HG2 VAL 17 2.962 4.233 -3.227
97 HG22 VAL 17 1HG2 VAL 17 3.642 2.859 -4.099
98 HG23 VAL 17 2HG2 VAL 17 1.945 2.848 -3.622
99 H CYS 18 H CYS 18 2.502 1.436 0.193
100 HA CYS 18 HA CYS 18 4.661 0.067 1.557
101 HB2 CYS 18 1HB CYS 18 3.496 0.869 3.621
102 HB3 CYS 18 2HB CYS 18 3.940 2.157 2.506
103 H GLY 19 H GLY 19 1.251 -0.406 0.882
104 HA2 GLY 19 1HA GLY 19 0.553 -2.762 0.686
105 HA3 GLY 19 2HA GLY 19 1.450 -3.060 2.168
106 H LYS 20 H LYS 20 0.364 -0.336 3.104
107 HA LYS 20 HA LYS 20 -1.524 -1.130 4.875
108 HB2 LYS 20 1HB LYS 20 -0.436 1.233 4.364
109 HB3 LYS 20 2HB LYS 20 -1.976 1.513 3.562
110 HG2 LYS 20 1HG LYS 20 -3.181 1.162 5.586
111 HG3 LYS 20 2HG LYS 20 -1.730 0.597 6.417
112 HD2 LYS 20 1HD LYS 20 -1.852 3.345 5.223
113 HD3 LYS 20 2HD LYS 20 -2.529 3.019 6.821
114 HE2 LYS 20 1HE LYS 20 0.247 2.123 6.190
115 HE3 LYS 20 2HE LYS 20 -0.048 3.821 6.557
116 HZ1 LYS 20 3HZ LYS 20 0.246 3.124 8.657
117 HZ2 LYS 20 1HZ LYS 20 -0.121 1.510 8.304
118 HZ3 LYS 20 2HZ LYS 20 -1.368 2.628 8.544
119 H ALA 21 H ALA 21 -3.890 -0.622 4.951
120 HA ALA 21 HA ALA 21 -5.217 -0.930 2.353
121 HB1 ALA 21 3HB ALA 21 -6.730 -2.521 4.031
122 HB2 ALA 21 1HB ALA 21 -5.622 -3.078 2.777
123 HB3 ALA 21 2HB ALA 21 -5.066 -2.933 4.445
124 H PHE 22 H PHE 22 -7.350 -0.165 2.268
125 HA PHE 22 HA PHE 22 -8.389 1.169 4.657
126 HB2 PHE 22 1HB PHE 22 -8.290 2.574 1.988
127 HB3 PHE 22 2HB PHE 22 -8.743 3.252 3.548
128 HD1 PHE 22 HD1 PHE 22 -5.875 1.761 1.718
129 HD2 PHE 22 HD2 PHE 22 -7.161 4.331 4.858
130 HE1 PHE 22 HE1 PHE 22 -3.551 2.490 2.069
131 HE2 PHE 22 HE2 PHE 22 -4.840 5.065 5.213
132 HZ PHE 22 HZ PHE 22 -3.031 4.145 3.817
133 H SER 23 H SER 23 -10.664 1.968 4.283
134 HA SER 23 HA SER 23 -12.163 -0.157 3.002
135 HB2 SER 23 1HB SER 23 -14.109 1.364 3.982
136 HB3 SER 23 2HB SER 23 -13.166 0.299 5.023
137 HG SER 23 HG SER 23 -13.219 2.322 5.960
138 H HIS 24 H HIS 24 -12.104 3.402 2.857
139 HA HIS 24 HA HIS 24 -13.417 3.248 0.231
140 HB2 HIS 24 1HB HIS 24 -14.185 4.725 2.352
141 HB3 HIS 24 2HB HIS 24 -13.101 5.873 1.572
142 HD1 HIS 24 HD1 HIS 24 -14.007 7.130 -0.392
143 HD2 HIS 24 HD2 HIS 24 -16.380 3.881 0.644
144 HE1 HIS 24 HE1 HIS 24 -16.073 7.326 -1.813
145 H ARG 25 H ARG 25 -12.594 4.402 -1.532
146 HA ARG 25 HA ARG 25 -9.842 4.385 -1.876
147 HB2 ARG 25 1HB ARG 25 -12.128 5.602 -3.347
148 HB3 ARG 25 2HB ARG 25 -10.508 6.144 -3.764
149 HG2 ARG 25 1HG ARG 25 -9.846 3.880 -4.292
150 HG3 ARG 25 2HG ARG 25 -11.423 3.276 -3.779
151 HD2 ARG 25 1HD ARG 25 -12.482 4.632 -5.548
152 HD3 ARG 25 2HD ARG 25 -10.882 5.146 -6.082
153 HE ARG 25 HE ARG 25 -10.652 2.495 -6.228
154 HH11 ARG 25 1HH1 ARG 25 -13.180 4.629 -7.311
155 HH12 ARG 25 2HH1 ARG 25 -13.649 3.615 -8.635
156 HH21 ARG 25 1HH2 ARG 25 -11.260 1.150 -7.968
157 HH22 ARG 25 2HH2 ARG 25 -12.556 1.636 -9.007
158 H GLN 26 H GLN 26 -11.957 7.187 -1.272
159 HA GLN 26 HA GLN 26 -10.330 9.296 -1.334
160 HB2 GLN 26 1HB GLN 26 -12.670 9.341 -0.512
161 HB3 GLN 26 2HB GLN 26 -12.117 8.704 1.030
162 HG2 GLN 26 1HG GLN 26 -12.235 10.937 1.494
163 HG3 GLN 26 2HG GLN 26 -10.548 10.786 1.003
164 HE21 GLN 26 1HE2 GLN 26 -13.132 12.697 0.729
165 HE22 GLN 26 2HE2 GLN 26 -12.842 13.405 -0.820
166 H SER 27 H SER 27 -10.509 7.172 1.525
167 HA SER 27 HA SER 27 -8.473 8.372 2.994
168 HB2 SER 27 1HB SER 27 -10.172 6.428 3.574
169 HB3 SER 27 2HB SER 27 -8.809 5.403 3.124
170 HG SER 27 HG SER 27 -7.651 7.003 4.643
171 H LEU 28 H LEU 28 -8.271 5.561 0.815
172 HA LEU 28 HA LEU 28 -5.534 5.104 1.045
173 HB2 LEU 28 1HB LEU 28 -6.851 3.457 -0.004
174 HB3 LEU 28 2HB LEU 28 -7.486 4.605 -1.181
175 HG LEU 28 HG LEU 28 -5.299 4.695 -2.275
176 HD11 LEU 28 1HD1 LEU 28 -4.534 2.941 0.013
177 HD12 LEU 28 2HD1 LEU 28 -3.674 4.307 -0.695
178 HD13 LEU 28 3HD1 LEU 28 -3.716 2.759 -1.538
179 HD21 LEU 28 3HD2 LEU 28 -5.306 1.979 -2.616
180 HD22 LEU 28 1HD2 LEU 28 -6.344 3.120 -3.471
181 HD23 LEU 28 2HD2 LEU 28 -6.942 2.292 -2.033
182 H SER 29 H SER 29 -7.180 6.809 -1.626
183 HA SER 29 HA SER 29 -5.016 7.734 -3.003
184 HB2 SER 29 1HB SER 29 -7.536 8.078 -3.464
185 HB3 SER 29 2HB SER 29 -7.368 9.547 -2.503
186 HG SER 29 HG SER 29 -6.971 10.163 -4.565
187 H VAL 30 H VAL 30 -6.643 9.507 -0.370
188 HA VAL 30 HA VAL 30 -4.862 11.650 -0.240
189 HB VAL 30 HB VAL 30 -6.516 10.422 1.969
190 HG11 VAL 30 1HG1 VAL 30 -4.684 11.763 2.879
191 HG12 VAL 30 2HG1 VAL 30 -5.173 13.122 1.865
192 HG13 VAL 30 3HG1 VAL 30 -6.243 12.543 3.142
193 HG21 VAL 30 3HG2 VAL 30 -7.177 12.006 -0.327
194 HG22 VAL 30 1HG2 VAL 30 -8.243 11.320 0.900
195 HG23 VAL 30 2HG2 VAL 30 -7.527 12.913 1.144
196 H HIS 31 H HIS 31 -4.712 8.453 1.204
197 HA HIS 31 HA HIS 31 -2.556 8.981 2.970
198 HB2 HIS 31 1HB HIS 31 -3.676 7.055 3.566
199 HB3 HIS 31 2HB HIS 31 -3.881 6.529 1.898
200 HD1 HIS 31 HD1 HIS 31 -1.207 6.724 4.572
201 HD2 HIS 31 HD2 HIS 31 -2.036 4.709 1.035
202 HE1 HIS 31 HE1 HIS 31 0.577 4.964 4.367
203 H GLN 32 H GLN 32 -2.593 7.130 -0.084
204 HA GLN 32 HA GLN 32 -0.001 6.606 -0.498
205 HB2 GLN 32 1HB GLN 32 -2.113 7.538 -2.403
206 HB3 GLN 32 2HB GLN 32 -0.474 7.287 -2.987
207 HG2 GLN 32 1HG GLN 32 -0.527 4.993 -2.456
208 HG3 GLN 32 2HG GLN 32 -1.990 5.175 -1.489
209 HE21 GLN 32 1HE2 GLN 32 -3.833 6.232 -2.842
210 HE22 GLN 32 2HE2 GLN 32 -4.110 5.497 -4.381
211 H ARG 33 H ARG 33 -1.453 9.787 -0.646
212 HA ARG 33 HA ARG 33 0.368 11.315 -1.953
213 HB2 ARG 33 1HB ARG 33 -0.979 11.963 0.675
214 HB3 ARG 33 2HB ARG 33 -0.179 13.144 -0.354
215 HG2 ARG 33 1HG ARG 33 -1.829 12.186 -2.167
216 HG3 ARG 33 2HG ARG 33 -2.761 11.729 -0.739
217 HD2 ARG 33 1HD ARG 33 -1.732 14.510 -1.279
218 HD3 ARG 33 2HD ARG 33 -3.356 13.958 -1.686
219 HE ARG 33 HE ARG 33 -3.249 13.394 0.918
220 HH11 ARG 33 1HH1 ARG 33 -2.336 16.256 -0.841
221 HH12 ARG 33 2HH1 ARG 33 -2.687 17.333 0.470
222 HH21 ARG 33 1HH2 ARG 33 -3.715 14.801 2.652
223 HH22 ARG 33 2HH2 ARG 33 -3.470 16.504 2.457
224 H ILE 34 H ILE 34 0.643 10.201 1.407
225 HA ILE 34 HA ILE 34 2.899 11.460 2.254
226 HB ILE 34 HB ILE 34 3.342 9.628 3.726
227 HG12 ILE 34 1HG1 ILE 34 1.557 7.959 1.941
228 HG13 ILE 34 2HG1 ILE 34 3.311 7.834 2.032
229 HG21 ILE 34 1HG2 ILE 34 0.658 9.009 4.038
230 HG22 ILE 34 2HG2 ILE 34 1.522 10.353 4.781
231 HG23 ILE 34 3HG2 ILE 34 0.654 10.594 3.265
232 HD11 ILE 34 3HD1 ILE 34 2.956 7.335 4.513
233 HD12 ILE 34 1HD1 ILE 34 1.268 7.070 4.079
234 HD13 ILE 34 2HD1 ILE 34 2.532 6.082 3.346
235 H HIS 35 H HIS 35 2.719 8.722 0.042
236 HA HIS 35 HA HIS 35 5.542 8.309 -0.089
237 HB2 HIS 35 1HB HIS 35 3.535 7.469 -2.177
238 HB3 HIS 35 2HB HIS 35 5.079 6.715 -1.791
239 HD1 HIS 35 HD1 HIS 35 4.951 6.141 1.103
240 HD2 HIS 35 HD2 HIS 35 1.611 5.778 -1.341
241 HE1 HIS 35 HE1 HIS 35 3.401 4.571 2.311
242 H SER 36 H SER 36 3.254 10.314 -1.786
243 HA SER 36 HA SER 36 3.463 11.825 -3.481
244 HB2 SER 36 1HB SER 36 6.153 12.049 -2.126
245 HB3 SER 36 2HB SER 36 5.651 13.128 -3.428
246 HG SER 36 HG SER 36 3.757 13.561 -2.065
247 H GLY 37 H GLY 37 3.841 9.197 -4.322
248 HA2 GLY 37 1HA GLY 37 6.027 8.404 -5.686
249 HA3 GLY 37 2HA GLY 37 4.407 8.210 -6.340
250 H LYS 38 H LYS 38 3.587 10.561 -7.143
251 HA LYS 38 HA LYS 38 5.051 11.074 -9.485
252 HB2 LYS 38 1HB LYS 38 3.503 12.932 -9.837
253 HB3 LYS 38 2HB LYS 38 2.642 11.496 -9.298
254 HG2 LYS 38 1HG LYS 38 1.643 13.057 -7.985
255 HG3 LYS 38 2HG LYS 38 2.983 12.605 -6.929
256 HD2 LYS 38 1HD LYS 38 4.273 14.516 -7.742
257 HD3 LYS 38 2HD LYS 38 2.946 14.961 -8.818
258 HE2 LYS 38 1HE LYS 38 1.514 15.440 -6.969
259 HE3 LYS 38 2HE LYS 38 2.669 14.758 -5.825
260 HZ1 LYS 38 3HZ LYS 38 3.370 16.845 -5.587
261 HZ2 LYS 38 1HZ LYS 38 2.575 17.384 -6.979
262 HZ3 LYS 38 2HZ LYS 38 4.104 16.672 -7.101
263 H LYS 39 H LYS 39 5.763 13.352 -10.108
264 HA LYS 39 HA LYS 39 6.740 15.093 -8.080
265 HB2 LYS 39 1HB LYS 39 8.335 13.078 -8.035
266 HB3 LYS 39 2HB LYS 39 8.904 13.651 -9.597
267 HG2 LYS 39 1HG LYS 39 10.413 14.671 -8.239
268 HG3 LYS 39 2HG LYS 39 9.167 15.921 -8.282
269 HD2 LYS 39 1HD LYS 39 8.421 15.431 -6.141
270 HD3 LYS 39 2HD LYS 39 9.098 13.801 -6.171
271 HE2 LYS 39 1HE LYS 39 10.404 15.189 -4.691
272 HE3 LYS 39 2HE LYS 39 11.364 14.778 -6.111
273 HZ1 LYS 39 3HZ LYS 39 9.949 17.186 -6.552
274 HZ2 LYS 39 1HZ LYS 39 11.619 16.916 -6.566
275 HZ3 LYS 39 2HZ LYS 39 10.838 17.303 -5.117
276 HA PRO 40 HA PRO 40 6.365 17.632 -11.699
277 HB2 PRO 40 1HB PRO 40 7.143 19.957 -10.532
278 HB3 PRO 40 2HB PRO 40 5.544 19.245 -10.284
279 HG2 PRO 40 1HG PRO 40 7.965 19.123 -8.527
280 HG3 PRO 40 2HG PRO 40 6.270 19.390 -8.080
281 HD2 PRO 40 1HD PRO 40 7.487 16.986 -7.810
282 HD3 PRO 40 2HD PRO 40 5.759 17.145 -8.182
283 H SER 41 H SER 41 9.233 18.006 -9.614
284 HA SER 41 HA SER 41 10.849 18.965 -11.796
285 HB2 SER 41 1HB SER 41 11.341 19.825 -9.606
286 HB3 SER 41 2HB SER 41 11.516 18.198 -8.947
287 HG SER 41 HG SER 41 13.175 19.346 -10.946
288 H GLY 42 H GLY 42 11.294 17.532 -13.364
289 HA2 GLY 42 1HA GLY 42 12.300 14.879 -12.539
290 HA3 GLY 42 2HA GLY 42 11.417 15.166 -14.031
291 HA PRO 43 HA PRO 43 15.323 15.435 -16.041
292 HB2 PRO 43 1HB PRO 43 14.508 16.633 -18.338
293 HB3 PRO 43 2HB PRO 43 14.187 14.933 -17.974
294 HG2 PRO 43 1HG PRO 43 12.384 17.305 -17.687
295 HG3 PRO 43 2HG PRO 43 12.016 15.691 -18.322
296 HD2 PRO 43 1HD PRO 43 11.359 16.452 -15.808
297 HD3 PRO 43 2HD PRO 43 11.786 14.778 -16.218
298 H SER 44 H SER 44 16.949 16.839 -15.847
299 HA SER 44 HA SER 44 16.319 19.664 -15.402
300 HB2 SER 44 1HB SER 44 17.691 18.499 -13.704
301 HB3 SER 44 2HB SER 44 18.911 18.169 -14.934
302 HG SER 44 HG SER 44 18.038 20.778 -14.250
303 H SER 45 H SER 45 17.414 21.329 -16.494
304 HA SER 45 HA SER 45 18.220 20.598 -19.199
305 HB2 SER 45 1HB SER 45 18.063 23.046 -19.639
306 HB3 SER 45 2HB SER 45 16.564 22.364 -19.008
307 HG SER 45 HG SER 45 18.508 23.595 -17.359
308 H GLY 46 H GLY 46 20.077 19.861 -17.271
309 HA2 GLY 46 1HA GLY 46 22.425 19.885 -17.358
310 HA3 GLY 46 2HA GLY 46 22.358 21.457 -18.141
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -2.012 -15.283 24.172
2 HA2 GLY 1 1HA GLY 1 -3.586 -16.325 22.821
3 HA3 GLY 1 2HA GLY 1 -4.086 -17.291 24.202
4 H SER 2 H SER 2 -5.162 -15.093 22.068
5 HA SER 2 HA SER 2 -7.484 -14.479 23.628
6 HB2 SER 2 1HB SER 2 -5.950 -12.745 24.474
7 HB3 SER 2 2HB SER 2 -5.672 -12.187 22.824
8 HG SER 2 HG SER 2 -7.624 -11.495 24.486
9 H SER 3 H SER 3 -9.211 -13.786 22.373
10 HA SER 3 HA SER 3 -8.722 -13.853 19.470
11 HB2 SER 3 1HB SER 3 -11.059 -14.737 21.148
12 HB3 SER 3 2HB SER 3 -11.252 -14.404 19.428
13 HG SER 3 HG SER 3 -9.285 -16.169 20.446
14 H GLY 4 H GLY 4 -10.866 -12.365 21.901
15 HA2 GLY 4 1HA GLY 4 -11.659 -10.206 22.047
16 HA3 GLY 4 2HA GLY 4 -10.558 -9.769 20.749
17 H SER 5 H SER 5 -12.322 -8.406 20.006
18 HA SER 5 HA SER 5 -14.182 -9.930 18.317
19 HB2 SER 5 1HB SER 5 -14.839 -7.678 20.204
20 HB3 SER 5 2HB SER 5 -15.846 -8.006 18.794
21 HG SER 5 HG SER 5 -15.695 -10.303 19.752
22 H SER 6 H SER 6 -13.831 -9.432 16.268
23 HA SER 6 HA SER 6 -13.428 -6.653 15.494
24 HB2 SER 6 1HB SER 6 -11.444 -8.858 14.925
25 HB3 SER 6 2HB SER 6 -11.499 -7.360 13.996
26 HG SER 6 HG SER 6 -11.425 -7.144 16.772
27 H GLY 7 H GLY 7 -13.938 -6.217 13.317
28 HA2 GLY 7 1HA GLY 7 -15.585 -8.318 12.082
29 HA3 GLY 7 2HA GLY 7 -15.744 -6.592 11.791
30 H THR 8 H THR 8 -15.137 -9.171 10.146
31 HA THR 8 HA THR 8 -12.661 -9.140 8.994
32 HB THR 8 HB THR 8 -13.914 -9.748 6.806
33 HG1 THR 8 HG1 THR 8 -15.920 -8.736 7.893
34 HG21 THR 8 3HG2 THR 8 -14.235 -11.332 9.355
35 HG22 THR 8 1HG2 THR 8 -12.911 -11.437 8.195
36 HG23 THR 8 2HG2 THR 8 -14.527 -11.979 7.741
37 H GLY 9 H GLY 9 -15.209 -6.794 8.613
38 HA2 GLY 9 1HA GLY 9 -15.396 -4.949 7.212
39 HA3 GLY 9 2HA GLY 9 -13.796 -4.642 7.871
40 H GLU 10 H GLU 10 -15.527 -6.189 5.206
41 HA GLU 10 HA GLU 10 -13.398 -6.937 3.612
42 HB2 GLU 10 1HB GLU 10 -15.614 -7.579 2.990
43 HB3 GLU 10 2HB GLU 10 -16.131 -5.903 2.863
44 HG2 GLU 10 1HG GLU 10 -15.873 -6.714 0.662
45 HG3 GLU 10 2HG GLU 10 -14.509 -5.641 0.974
46 H LYS 11 H LYS 11 -11.745 -5.801 2.870
47 HA LYS 11 HA LYS 11 -12.160 -2.955 2.230
48 HB2 LYS 11 1HB LYS 11 -9.788 -4.428 3.341
49 HB3 LYS 11 2HB LYS 11 -9.586 -2.887 2.518
50 HG2 LYS 11 1HG LYS 11 -11.236 -1.916 4.138
51 HG3 LYS 11 2HG LYS 11 -11.150 -3.439 5.026
52 HD2 LYS 11 1HD LYS 11 -8.621 -2.010 4.345
53 HD3 LYS 11 2HD LYS 11 -9.611 -1.413 5.678
54 HE2 LYS 11 1HE LYS 11 -8.843 -4.306 5.484
55 HE3 LYS 11 2HE LYS 11 -7.749 -3.118 6.191
56 HZ1 LYS 11 3HZ LYS 11 -9.967 -4.379 7.373
57 HZ2 LYS 11 1HZ LYS 11 -10.257 -2.713 7.324
58 HZ3 LYS 11 2HZ LYS 11 -8.864 -3.308 8.077
59 HA PRO 12 HA PRO 12 -11.402 -4.782 -1.868
60 HB2 PRO 12 1HB PRO 12 -12.622 -2.766 -3.216
61 HB3 PRO 12 2HB PRO 12 -13.510 -4.109 -2.486
62 HG2 PRO 12 1HG PRO 12 -13.074 -1.337 -1.444
63 HG3 PRO 12 2HG PRO 12 -14.553 -2.315 -1.436
64 HD2 PRO 12 1HD PRO 12 -12.974 -2.045 0.747
65 HD3 PRO 12 2HD PRO 12 -13.893 -3.526 0.410
66 H TYR 13 H TYR 13 -10.208 -2.125 -0.233
67 HA TYR 13 HA TYR 13 -8.440 -1.418 -2.484
68 HB2 TYR 13 1HB TYR 13 -9.124 0.403 -0.177
69 HB3 TYR 13 2HB TYR 13 -8.304 0.824 -1.677
70 HD1 TYR 13 HD2 TYR 13 -9.602 0.870 -3.811
71 HD2 TYR 13 HD1 TYR 13 -11.494 0.391 -0.031
72 HE1 TYR 13 HE2 TYR 13 -11.757 1.499 -4.816
73 HE2 TYR 13 HE1 TYR 13 -13.654 1.017 -1.026
74 HH TYR 13 HH TYR 13 -14.682 0.946 -3.388
75 H GLU 14 H GLU 14 -6.248 -1.178 -2.073
76 HA GLU 14 HA GLU 14 -5.144 -1.367 0.554
77 HB2 GLU 14 1HB GLU 14 -5.712 -3.698 0.351
78 HB3 GLU 14 2HB GLU 14 -5.003 -3.781 -1.255
79 HG2 GLU 14 1HG GLU 14 -2.805 -3.141 -0.106
80 HG3 GLU 14 2HG GLU 14 -3.626 -3.572 1.393
81 H CYS 15 H CYS 15 -3.345 -0.208 0.494
82 HA CYS 15 HA CYS 15 -2.212 0.771 -1.880
83 HB2 CYS 15 1HB CYS 15 -2.065 1.582 0.642
84 HB3 CYS 15 2HB CYS 15 -0.570 0.653 0.609
85 H SER 16 H SER 16 -0.194 0.359 -2.859
86 HA SER 16 HA SER 16 0.765 -2.394 -2.448
87 HB2 SER 16 1HB SER 16 -0.236 -1.690 -4.704
88 HB3 SER 16 2HB SER 16 1.232 -0.738 -4.925
89 HG SER 16 HG SER 16 0.906 -3.290 -5.426
90 H VAL 17 H VAL 17 1.854 0.908 -3.157
91 HA VAL 17 HA VAL 17 4.575 0.576 -3.204
92 HB VAL 17 HB VAL 17 4.691 2.887 -2.125
93 HG11 VAL 17 1HG1 VAL 17 4.458 3.763 -4.179
94 HG12 VAL 17 2HG1 VAL 17 4.164 2.094 -4.670
95 HG13 VAL 17 3HG1 VAL 17 2.805 3.174 -4.354
96 HG21 VAL 17 3HG2 VAL 17 2.901 3.723 -1.109
97 HG22 VAL 17 1HG2 VAL 17 1.947 3.533 -2.580
98 HG23 VAL 17 2HG2 VAL 17 2.044 2.212 -1.416
99 H CYS 18 H CYS 18 2.455 0.670 -0.394
100 HA CYS 18 HA CYS 18 4.763 -0.058 1.288
101 HB2 CYS 18 1HB CYS 18 3.530 0.982 3.187
102 HB3 CYS 18 2HB CYS 18 3.984 2.135 1.936
103 H GLY 19 H GLY 19 1.357 -0.577 0.575
104 HA2 GLY 19 1HA GLY 19 0.555 -2.878 0.596
105 HA3 GLY 19 2HA GLY 19 1.541 -3.141 2.027
106 H LYS 20 H LYS 20 0.482 -0.251 2.722
107 HA LYS 20 HA LYS 20 -1.219 -0.872 4.747
108 HB2 LYS 20 1HB LYS 20 -0.239 1.426 3.923
109 HB3 LYS 20 2HB LYS 20 -1.810 1.589 3.150
110 HG2 LYS 20 1HG LYS 20 -2.918 1.809 5.126
111 HG3 LYS 20 2HG LYS 20 -1.748 0.836 6.019
112 HD2 LYS 20 1HD LYS 20 -0.134 2.824 5.511
113 HD3 LYS 20 2HD LYS 20 -1.631 3.725 5.259
114 HE2 LYS 20 1HE LYS 20 -1.241 2.080 7.730
115 HE3 LYS 20 2HE LYS 20 -0.542 3.694 7.613
116 HZ1 LYS 20 3HZ LYS 20 -2.505 4.544 8.122
117 HZ2 LYS 20 1HZ LYS 20 -3.172 2.994 8.245
118 HZ3 LYS 20 2HZ LYS 20 -3.210 3.816 6.767
119 H ALA 21 H ALA 21 -3.601 -0.296 4.929
120 HA ALA 21 HA ALA 21 -5.102 -1.042 2.520
121 HB1 ALA 21 3HB ALA 21 -6.022 -2.897 3.389
122 HB2 ALA 21 1HB ALA 21 -4.618 -2.880 4.457
123 HB3 ALA 21 2HB ALA 21 -6.152 -2.201 5.004
124 H PHE 22 H PHE 22 -7.372 -0.473 2.606
125 HA PHE 22 HA PHE 22 -8.252 1.288 4.731
126 HB2 PHE 22 1HB PHE 22 -8.120 2.342 1.901
127 HB3 PHE 22 2HB PHE 22 -8.640 3.215 3.339
128 HD1 PHE 22 HD1 PHE 22 -5.739 1.771 1.592
129 HD2 PHE 22 HD2 PHE 22 -7.071 4.234 4.798
130 HE1 PHE 22 HE1 PHE 22 -3.436 2.568 1.932
131 HE2 PHE 22 HE2 PHE 22 -4.771 5.037 5.142
132 HZ PHE 22 HZ PHE 22 -2.950 4.204 3.708
133 H SER 23 H SER 23 -10.519 2.127 4.228
134 HA SER 23 HA SER 23 -12.035 -0.079 3.024
135 HB2 SER 23 1HB SER 23 -12.755 0.203 5.243
136 HB3 SER 23 2HB SER 23 -12.693 1.962 5.136
137 HG SER 23 HG SER 23 -14.780 1.658 4.853
138 H HIS 24 H HIS 24 -11.739 3.439 3.036
139 HA HIS 24 HA HIS 24 -13.503 3.553 0.683
140 HB2 HIS 24 1HB HIS 24 -13.311 6.131 1.338
141 HB3 HIS 24 2HB HIS 24 -14.490 5.061 2.092
142 HD1 HIS 24 HD1 HIS 24 -12.192 7.557 3.000
143 HD2 HIS 24 HD2 HIS 24 -13.143 3.831 4.572
144 HE1 HIS 24 HE1 HIS 24 -11.389 7.608 5.383
145 H ARG 25 H ARG 25 -12.744 4.266 -1.229
146 HA ARG 25 HA ARG 25 -10.076 4.216 -1.877
147 HB2 ARG 25 1HB ARG 25 -12.106 4.251 -3.431
148 HB3 ARG 25 2HB ARG 25 -12.041 6.004 -3.299
149 HG2 ARG 25 1HG ARG 25 -9.787 6.003 -4.221
150 HG3 ARG 25 2HG ARG 25 -9.827 4.242 -4.329
151 HD2 ARG 25 1HD ARG 25 -11.780 6.063 -5.724
152 HD3 ARG 25 2HD ARG 25 -10.314 5.433 -6.474
153 HE ARG 25 HE ARG 25 -11.520 3.189 -5.644
154 HH11 ARG 25 1HH1 ARG 25 -12.705 5.945 -7.410
155 HH12 ARG 25 2HH1 ARG 25 -13.893 5.037 -8.286
156 HH21 ARG 25 1HH2 ARG 25 -13.079 1.983 -6.791
157 HH22 ARG 25 2HH2 ARG 25 -14.105 2.784 -7.933
158 H GLN 26 H GLN 26 -12.013 6.980 -0.847
159 HA GLN 26 HA GLN 26 -10.249 9.047 -1.363
160 HB2 GLN 26 1HB GLN 26 -12.389 9.666 -0.626
161 HB3 GLN 26 2HB GLN 26 -12.301 8.629 0.792
162 HG2 GLN 26 1HG GLN 26 -10.352 10.854 0.571
163 HG3 GLN 26 2HG GLN 26 -12.028 11.248 0.949
164 HE21 GLN 26 1HE2 GLN 26 -9.341 11.152 2.449
165 HE22 GLN 26 2HE2 GLN 26 -9.748 10.367 3.933
166 H SER 27 H SER 27 -10.422 6.956 1.499
167 HA SER 27 HA SER 27 -8.431 8.176 3.017
168 HB2 SER 27 1HB SER 27 -10.075 6.152 3.514
169 HB3 SER 27 2HB SER 27 -8.660 5.198 3.069
170 HG SER 27 HG SER 27 -9.041 6.002 5.391
171 H LEU 28 H LEU 28 -8.152 5.502 0.688
172 HA LEU 28 HA LEU 28 -5.375 5.145 0.942
173 HB2 LEU 28 1HB LEU 28 -6.718 3.447 -0.073
174 HB3 LEU 28 2HB LEU 28 -7.265 4.558 -1.327
175 HG LEU 28 HG LEU 28 -4.960 4.617 -2.226
176 HD11 LEU 28 1HD1 LEU 28 -3.692 2.425 -1.289
177 HD12 LEU 28 2HD1 LEU 28 -4.467 3.008 0.184
178 HD13 LEU 28 3HD1 LEU 28 -3.385 4.066 -0.721
179 HD21 LEU 28 3HD2 LEU 28 -6.400 3.148 -3.344
180 HD22 LEU 28 1HD2 LEU 28 -6.421 2.004 -2.002
181 HD23 LEU 28 2HD2 LEU 28 -4.970 2.178 -2.990
182 H SER 29 H SER 29 -7.117 6.668 -1.777
183 HA SER 29 HA SER 29 -5.079 7.706 -3.206
184 HB2 SER 29 1HB SER 29 -7.538 7.986 -3.681
185 HB3 SER 29 2HB SER 29 -7.545 9.325 -2.534
186 HG SER 29 HG SER 29 -5.552 9.815 -4.131
187 H VAL 30 H VAL 30 -6.585 9.378 -0.441
188 HA VAL 30 HA VAL 30 -4.841 11.574 -0.407
189 HB VAL 30 HB VAL 30 -6.420 10.328 1.845
190 HG11 VAL 30 1HG1 VAL 30 -4.822 12.870 1.723
191 HG12 VAL 30 2HG1 VAL 30 -6.144 12.642 2.870
192 HG13 VAL 30 3HG1 VAL 30 -4.739 11.576 2.917
193 HG21 VAL 30 3HG2 VAL 30 -7.174 11.869 -0.415
194 HG22 VAL 30 1HG2 VAL 30 -8.183 11.306 0.918
195 HG23 VAL 30 2HG2 VAL 30 -7.380 12.873 1.020
196 H HIS 31 H HIS 31 -4.702 8.462 1.277
197 HA HIS 31 HA HIS 31 -2.487 8.973 2.900
198 HB2 HIS 31 1HB HIS 31 -3.482 6.999 3.500
199 HB3 HIS 31 2HB HIS 31 -3.811 6.533 1.834
200 HD1 HIS 31 HD1 HIS 31 -0.931 6.665 4.291
201 HD2 HIS 31 HD2 HIS 31 -2.042 4.742 0.780
202 HE1 HIS 31 HE1 HIS 31 0.837 4.921 3.891
203 H GLN 32 H GLN 32 -2.587 7.407 -0.302
204 HA GLN 32 HA GLN 32 0.012 6.846 -0.760
205 HB2 GLN 32 1HB GLN 32 -2.133 7.903 -2.551
206 HB3 GLN 32 2HB GLN 32 -0.500 7.751 -3.186
207 HG2 GLN 32 1HG GLN 32 -0.540 5.355 -2.463
208 HG3 GLN 32 2HG GLN 32 -2.249 5.568 -2.089
209 HE21 GLN 32 1HE2 GLN 32 -1.425 3.687 -3.899
210 HE22 GLN 32 2HE2 GLN 32 -1.925 4.149 -5.486
211 H ARG 33 H ARG 33 -1.419 10.042 -0.678
212 HA ARG 33 HA ARG 33 0.502 11.595 -1.870
213 HB2 ARG 33 1HB ARG 33 -1.052 12.200 0.652
214 HB3 ARG 33 2HB ARG 33 -0.180 13.394 -0.299
215 HG2 ARG 33 1HG ARG 33 -1.634 12.782 -2.241
216 HG3 ARG 33 2HG ARG 33 -2.586 11.796 -1.129
217 HD2 ARG 33 1HD ARG 33 -3.687 13.890 -1.301
218 HD3 ARG 33 2HD ARG 33 -2.891 13.862 0.271
219 HE ARG 33 HE ARG 33 -1.067 15.074 -1.304
220 HH11 ARG 33 1HH1 ARG 33 -4.461 15.617 -0.748
221 HH12 ARG 33 2HH1 ARG 33 -4.369 17.322 -1.043
222 HH21 ARG 33 1HH2 ARG 33 -0.934 17.317 -1.695
223 HH22 ARG 33 2HH2 ARG 33 -2.363 18.288 -1.583
224 H ILE 34 H ILE 34 0.498 10.341 1.446
225 HA ILE 34 HA ILE 34 2.679 11.590 2.520
226 HB ILE 34 HB ILE 34 2.906 9.813 4.044
227 HG12 ILE 34 1HG1 ILE 34 1.536 8.006 2.041
228 HG13 ILE 34 2HG1 ILE 34 3.269 8.039 2.346
229 HG21 ILE 34 1HG2 ILE 34 0.881 10.174 4.872
230 HG22 ILE 34 2HG2 ILE 34 0.346 10.737 3.289
231 HG23 ILE 34 3HG2 ILE 34 0.185 9.034 3.721
232 HD11 ILE 34 3HD1 ILE 34 2.666 7.500 4.766
233 HD12 ILE 34 1HD1 ILE 34 1.069 7.093 4.139
234 HD13 ILE 34 2HD1 ILE 34 2.490 6.219 3.566
235 H HIS 35 H HIS 35 2.637 9.059 0.108
236 HA HIS 35 HA HIS 35 5.452 8.519 0.256
237 HB2 HIS 35 1HB HIS 35 3.610 7.851 -2.040
238 HB3 HIS 35 2HB HIS 35 5.109 7.045 -1.589
239 HD1 HIS 35 HD1 HIS 35 4.684 6.415 1.317
240 HD2 HIS 35 HD2 HIS 35 1.676 6.037 -1.523
241 HE1 HIS 35 HE1 HIS 35 3.043 4.778 2.291
242 H SER 36 H SER 36 3.392 10.691 -1.520
243 HA SER 36 HA SER 36 3.830 12.411 -2.943
244 HB2 SER 36 1HB SER 36 6.695 12.095 -2.017
245 HB3 SER 36 2HB SER 36 5.996 13.515 -2.795
246 HG SER 36 HG SER 36 4.544 13.607 -0.953
247 H GLY 37 H GLY 37 3.855 9.732 -3.946
248 HA2 GLY 37 1HA GLY 37 4.065 9.251 -6.302
249 HA3 GLY 37 2HA GLY 37 5.571 10.157 -6.304
250 H LYS 38 H LYS 38 7.232 8.855 -6.653
251 HA LYS 38 HA LYS 38 7.521 6.452 -5.030
252 HB2 LYS 38 1HB LYS 38 6.431 6.024 -7.393
253 HB3 LYS 38 2HB LYS 38 8.091 6.182 -7.953
254 HG2 LYS 38 1HG LYS 38 7.693 3.878 -7.624
255 HG3 LYS 38 2HG LYS 38 8.714 4.410 -6.286
256 HD2 LYS 38 1HD LYS 38 6.689 4.615 -4.877
257 HD3 LYS 38 2HD LYS 38 5.729 3.973 -6.211
258 HE2 LYS 38 1HE LYS 38 8.057 2.513 -4.979
259 HE3 LYS 38 2HE LYS 38 6.388 2.301 -4.453
260 HZ1 LYS 38 3HZ LYS 38 6.987 1.998 -7.303
261 HZ2 LYS 38 1HZ LYS 38 5.828 1.211 -6.354
262 HZ3 LYS 38 2HZ LYS 38 7.452 0.752 -6.258
263 H LYS 39 H LYS 39 9.703 5.607 -5.025
264 HA LYS 39 HA LYS 39 11.672 7.714 -5.583
265 HB2 LYS 39 1HB LYS 39 11.890 5.327 -3.739
266 HB3 LYS 39 2HB LYS 39 13.090 6.598 -3.925
267 HG2 LYS 39 1HG LYS 39 10.280 7.100 -2.980
268 HG3 LYS 39 2HG LYS 39 11.636 6.780 -1.897
269 HD2 LYS 39 1HD LYS 39 12.630 8.799 -2.324
270 HD3 LYS 39 2HD LYS 39 11.945 8.915 -3.947
271 HE2 LYS 39 1HE LYS 39 10.406 9.246 -1.373
272 HE3 LYS 39 2HE LYS 39 10.981 10.565 -2.390
273 HZ1 LYS 39 3HZ LYS 39 9.617 9.637 -4.207
274 HZ2 LYS 39 1HZ LYS 39 8.694 10.140 -2.880
275 HZ3 LYS 39 2HZ LYS 39 8.989 8.493 -3.131
276 HA PRO 40 HA PRO 40 13.062 5.084 -8.912
277 HB2 PRO 40 1HB PRO 40 15.037 6.747 -9.751
278 HB3 PRO 40 2HB PRO 40 13.331 7.015 -10.127
279 HG2 PRO 40 1HG PRO 40 15.023 8.272 -8.001
280 HG3 PRO 40 2HG PRO 40 13.838 9.029 -9.081
281 HD2 PRO 40 1HD PRO 40 13.271 8.397 -6.510
282 HD3 PRO 40 2HD PRO 40 12.047 8.354 -7.796
283 H SER 41 H SER 41 13.869 3.453 -7.459
284 HA SER 41 HA SER 41 16.257 3.624 -6.016
285 HB2 SER 41 1HB SER 41 14.679 1.331 -7.144
286 HB3 SER 41 2HB SER 41 16.239 1.039 -6.375
287 HG SER 41 HG SER 41 15.443 1.924 -4.482
288 H GLY 42 H GLY 42 17.910 4.570 -7.176
289 HA2 GLY 42 1HA GLY 42 18.696 3.494 -9.750
290 HA3 GLY 42 2HA GLY 42 19.468 4.818 -8.890
291 HA PRO 43 HA PRO 43 22.072 0.915 -8.652
292 HB2 PRO 43 1HB PRO 43 24.264 1.947 -9.879
293 HB3 PRO 43 2HB PRO 43 22.954 1.152 -10.760
294 HG2 PRO 43 1HG PRO 43 23.467 4.074 -10.360
295 HG3 PRO 43 2HG PRO 43 22.968 3.216 -11.830
296 HD2 PRO 43 1HD PRO 43 21.221 4.581 -10.275
297 HD3 PRO 43 2HD PRO 43 20.760 3.123 -11.176
298 H SER 44 H SER 44 22.405 4.269 -7.864
299 HA SER 44 HA SER 44 24.310 3.558 -5.730
300 HB2 SER 44 1HB SER 44 25.343 4.962 -7.523
301 HB3 SER 44 2HB SER 44 24.166 6.224 -7.158
302 HG SER 44 HG SER 44 25.700 5.176 -5.066
303 H SER 45 H SER 45 24.129 4.776 -3.766
304 HA SER 45 HA SER 45 21.389 5.743 -3.310
305 HB2 SER 45 1HB SER 45 21.737 5.181 -0.954
306 HB3 SER 45 2HB SER 45 22.073 3.780 -1.971
307 HG SER 45 HG SER 45 23.670 4.168 -0.327
308 H GLY 46 H GLY 46 21.173 7.872 -3.206
309 HA2 GLY 46 1HA GLY 46 23.449 9.458 -2.188
310 HA3 GLY 46 2HA GLY 46 22.305 10.036 -3.391
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -5.037 -13.566 16.794
2 HA2 GLY 1 1HA GLY 1 -6.593 -11.908 18.152
3 HA3 GLY 1 2HA GLY 1 -7.452 -11.935 16.619
4 H SER 2 H SER 2 -9.274 -12.823 17.703
5 HA SER 2 HA SER 2 -8.946 -15.633 18.522
6 HB2 SER 2 1HB SER 2 -10.864 -13.486 19.381
7 HB3 SER 2 2HB SER 2 -11.294 -15.186 19.565
8 HG SER 2 HG SER 2 -9.326 -15.430 20.765
9 H SER 3 H SER 3 -11.062 -13.417 16.735
10 HA SER 3 HA SER 3 -12.521 -15.630 15.556
11 HB2 SER 3 1HB SER 3 -12.773 -12.642 15.469
12 HB3 SER 3 2HB SER 3 -13.594 -13.626 14.257
13 HG SER 3 HG SER 3 -14.020 -14.682 16.673
14 H GLY 4 H GLY 4 -12.901 -15.521 13.119
15 HA2 GLY 4 1HA GLY 4 -10.308 -15.028 11.787
16 HA3 GLY 4 2HA GLY 4 -11.356 -16.383 11.396
17 H SER 5 H SER 5 -13.822 -15.009 11.369
18 HA SER 5 HA SER 5 -13.907 -14.113 8.726
19 HB2 SER 5 1HB SER 5 -16.189 -13.580 9.114
20 HB3 SER 5 2HB SER 5 -15.840 -14.947 10.172
21 HG SER 5 HG SER 5 -15.292 -13.006 11.686
22 H SER 6 H SER 6 -14.731 -11.923 8.042
23 HA SER 6 HA SER 6 -12.848 -9.955 8.606
24 HB2 SER 6 1HB SER 6 -15.509 -9.970 7.246
25 HB3 SER 6 2HB SER 6 -14.762 -8.415 7.616
26 HG SER 6 HG SER 6 -14.157 -10.180 5.666
27 H GLY 7 H GLY 7 -13.284 -7.760 9.497
28 HA2 GLY 7 1HA GLY 7 -14.604 -8.045 12.092
29 HA3 GLY 7 2HA GLY 7 -13.475 -6.778 11.635
30 H THR 8 H THR 8 -14.244 -5.094 10.192
31 HA THR 8 HA THR 8 -17.169 -4.773 10.224
32 HB THR 8 HB THR 8 -16.917 -2.391 10.738
33 HG1 THR 8 HG1 THR 8 -14.153 -3.053 10.949
34 HG21 THR 8 3HG2 THR 8 -15.369 -3.874 12.840
35 HG22 THR 8 1HG2 THR 8 -17.069 -4.231 12.537
36 HG23 THR 8 2HG2 THR 8 -16.584 -2.613 13.042
37 H GLY 9 H GLY 9 -17.438 -5.207 8.057
38 HA2 GLY 9 1HA GLY 9 -17.625 -4.625 5.838
39 HA3 GLY 9 2HA GLY 9 -16.929 -3.065 6.251
40 H GLU 10 H GLU 10 -16.486 -5.135 4.042
41 HA GLU 10 HA GLU 10 -13.782 -6.016 4.390
42 HB2 GLU 10 1HB GLU 10 -13.940 -6.889 2.183
43 HB3 GLU 10 2HB GLU 10 -15.508 -7.143 2.936
44 HG2 GLU 10 1HG GLU 10 -16.156 -4.917 1.806
45 HG3 GLU 10 2HG GLU 10 -14.737 -5.202 0.800
46 H LYS 11 H LYS 11 -12.093 -5.434 2.719
47 HA LYS 11 HA LYS 11 -12.202 -2.563 2.075
48 HB2 LYS 11 1HB LYS 11 -9.704 -3.987 2.986
49 HB3 LYS 11 2HB LYS 11 -9.944 -2.257 2.779
50 HG2 LYS 11 1HG LYS 11 -11.475 -2.218 4.660
51 HG3 LYS 11 2HG LYS 11 -11.310 -3.966 4.849
52 HD2 LYS 11 1HD LYS 11 -9.796 -3.253 6.410
53 HD3 LYS 11 2HD LYS 11 -8.746 -3.360 4.995
54 HE2 LYS 11 1HE LYS 11 -8.192 -1.270 5.726
55 HE3 LYS 11 2HE LYS 11 -9.536 -0.862 4.660
56 HZ1 LYS 11 3HZ LYS 11 -10.341 -1.480 7.353
57 HZ2 LYS 11 1HZ LYS 11 -10.769 -0.172 6.369
58 HZ3 LYS 11 2HZ LYS 11 -9.326 -0.130 7.250
59 HA PRO 12 HA PRO 12 -11.317 -4.752 -1.831
60 HB2 PRO 12 1HB PRO 12 -12.438 -2.836 -3.394
61 HB3 PRO 12 2HB PRO 12 -13.381 -4.107 -2.607
62 HG2 PRO 12 1HG PRO 12 -12.956 -1.266 -1.764
63 HG3 PRO 12 2HG PRO 12 -14.448 -2.224 -1.756
64 HD2 PRO 12 1HD PRO 12 -12.977 -1.800 0.477
65 HD3 PRO 12 2HD PRO 12 -13.900 -3.293 0.211
66 H TYR 13 H TYR 13 -10.076 -2.101 -0.304
67 HA TYR 13 HA TYR 13 -8.247 -1.521 -2.541
68 HB2 TYR 13 1HB TYR 13 -8.987 0.398 -0.327
69 HB3 TYR 13 2HB TYR 13 -8.034 0.748 -1.765
70 HD1 TYR 13 HD2 TYR 13 -9.143 0.835 -3.986
71 HD2 TYR 13 HD1 TYR 13 -11.371 0.423 -0.385
72 HE1 TYR 13 HE2 TYR 13 -11.184 1.514 -5.178
73 HE2 TYR 13 HE1 TYR 13 -13.418 1.099 -1.568
74 HH TYR 13 HH TYR 13 -14.183 2.123 -3.488
75 H GLU 14 H GLU 14 -6.079 -1.522 -2.135
76 HA GLU 14 HA GLU 14 -5.056 -1.623 0.561
77 HB2 GLU 14 1HB GLU 14 -5.795 -3.989 -0.028
78 HB3 GLU 14 2HB GLU 14 -4.507 -3.989 -1.224
79 HG2 GLU 14 1HG GLU 14 -2.838 -3.761 0.454
80 HG3 GLU 14 2HG GLU 14 -4.050 -3.464 1.700
81 H CYS 15 H CYS 15 -3.565 -0.079 0.315
82 HA CYS 15 HA CYS 15 -2.225 0.633 -2.000
83 HB2 CYS 15 1HB CYS 15 -2.344 1.719 0.421
84 HB3 CYS 15 2HB CYS 15 -0.794 0.905 0.604
85 H SER 16 H SER 16 -0.298 0.087 -2.945
86 HA SER 16 HA SER 16 0.859 -2.462 -2.066
87 HB2 SER 16 1HB SER 16 0.027 -2.379 -4.381
88 HB3 SER 16 2HB SER 16 1.110 -1.032 -4.725
89 HG SER 16 HG SER 16 1.870 -3.663 -3.974
90 H VAL 17 H VAL 17 1.871 0.722 -3.299
91 HA VAL 17 HA VAL 17 4.550 0.644 -3.172
92 HB VAL 17 HB VAL 17 4.507 3.009 -2.271
93 HG11 VAL 17 1HG1 VAL 17 3.838 3.882 -4.310
94 HG12 VAL 17 2HG1 VAL 17 4.202 2.203 -4.716
95 HG13 VAL 17 3HG1 VAL 17 2.528 2.716 -4.495
96 HG21 VAL 17 3HG2 VAL 17 1.913 3.773 -2.521
97 HG22 VAL 17 1HG2 VAL 17 1.735 2.197 -1.751
98 HG23 VAL 17 2HG2 VAL 17 2.715 3.447 -0.985
99 H CYS 18 H CYS 18 2.475 1.185 -0.330
100 HA CYS 18 HA CYS 18 4.789 0.653 1.398
101 HB2 CYS 18 1HB CYS 18 3.550 1.718 3.177
102 HB3 CYS 18 2HB CYS 18 3.520 2.766 1.762
103 H GLY 19 H GLY 19 1.403 -0.276 0.887
104 HA2 GLY 19 1HA GLY 19 0.773 -2.601 0.992
105 HA3 GLY 19 2HA GLY 19 2.014 -2.835 2.213
106 H LYS 20 H LYS 20 -0.635 -0.478 1.886
107 HA LYS 20 HA LYS 20 -1.548 -1.301 4.565
108 HB2 LYS 20 1HB LYS 20 -0.612 1.096 4.118
109 HB3 LYS 20 2HB LYS 20 -2.180 1.377 3.372
110 HG2 LYS 20 1HG LYS 20 -3.297 1.293 5.354
111 HG3 LYS 20 2HG LYS 20 -2.133 0.190 6.091
112 HD2 LYS 20 1HD LYS 20 -1.411 3.027 5.423
113 HD3 LYS 20 2HD LYS 20 -2.200 2.607 6.945
114 HE2 LYS 20 1HE LYS 20 -0.369 1.497 7.745
115 HE3 LYS 20 2HE LYS 20 0.196 1.046 6.137
116 HZ1 LYS 20 3HZ LYS 20 0.549 3.598 7.570
117 HZ2 LYS 20 1HZ LYS 20 0.641 3.546 5.881
118 HZ3 LYS 20 2HZ LYS 20 1.714 2.632 6.815
119 H ALA 21 H ALA 21 -3.965 -0.411 4.829
120 HA ALA 21 HA ALA 21 -5.517 -1.050 2.428
121 HB1 ALA 21 3HB ALA 21 -6.705 -2.236 4.795
122 HB2 ALA 21 1HB ALA 21 -6.401 -2.941 3.207
123 HB3 ALA 21 2HB ALA 21 -5.123 -2.920 4.423
124 H PHE 22 H PHE 22 -7.497 -0.042 2.298
125 HA PHE 22 HA PHE 22 -8.436 1.519 4.577
126 HB2 PHE 22 1HB PHE 22 -8.066 2.814 1.875
127 HB3 PHE 22 2HB PHE 22 -8.525 3.590 3.387
128 HD1 PHE 22 HD1 PHE 22 -5.758 2.058 1.516
129 HD2 PHE 22 HD2 PHE 22 -6.889 4.234 4.995
130 HE1 PHE 22 HE1 PHE 22 -3.392 2.556 1.970
131 HE2 PHE 22 HE2 PHE 22 -4.525 4.737 5.453
132 HZ PHE 22 HZ PHE 22 -2.773 3.898 3.940
133 H SER 23 H SER 23 -10.519 1.095 4.814
134 HA SER 23 HA SER 23 -12.092 -0.349 3.051
135 HB2 SER 23 1HB SER 23 -12.433 0.408 5.585
136 HB3 SER 23 2HB SER 23 -13.453 1.627 4.821
137 HG SER 23 HG SER 23 -14.850 0.130 4.266
138 H HIS 24 H HIS 24 -11.585 3.113 3.276
139 HA HIS 24 HA HIS 24 -13.435 3.519 1.025
140 HB2 HIS 24 1HB HIS 24 -13.418 4.847 3.375
141 HB3 HIS 24 2HB HIS 24 -12.323 5.868 2.447
142 HD1 HIS 24 HD1 HIS 24 -13.382 7.532 0.926
143 HD2 HIS 24 HD2 HIS 24 -16.038 4.559 2.096
144 HE1 HIS 24 HE1 HIS 24 -15.621 8.241 0.029
145 H ARG 25 H ARG 25 -12.691 4.170 -0.903
146 HA ARG 25 HA ARG 25 -9.962 4.031 -1.528
147 HB2 ARG 25 1HB ARG 25 -10.639 5.014 -3.721
148 HB3 ARG 25 2HB ARG 25 -11.604 3.627 -3.234
149 HG2 ARG 25 1HG ARG 25 -13.415 5.063 -2.559
150 HG3 ARG 25 2HG ARG 25 -12.439 6.498 -2.883
151 HD2 ARG 25 1HD ARG 25 -12.345 5.909 -5.248
152 HD3 ARG 25 2HD ARG 25 -13.287 4.453 -4.932
153 HE ARG 25 HE ARG 25 -14.682 6.740 -4.030
154 HH11 ARG 25 1HH1 ARG 25 -13.767 5.065 -6.941
155 HH12 ARG 25 2HH1 ARG 25 -15.125 5.638 -7.853
156 HH21 ARG 25 1HH2 ARG 25 -16.473 7.501 -5.219
157 HH22 ARG 25 2HH2 ARG 25 -16.663 7.025 -6.873
158 H GLN 26 H GLN 26 -12.020 6.732 -0.663
159 HA GLN 26 HA GLN 26 -10.465 8.871 -1.487
160 HB2 GLN 26 1HB GLN 26 -12.783 8.895 -0.413
161 HB3 GLN 26 2HB GLN 26 -11.950 8.829 1.134
162 HG2 GLN 26 1HG GLN 26 -12.432 11.095 0.746
163 HG3 GLN 26 2HG GLN 26 -10.709 10.900 0.425
164 HE21 GLN 26 1HE2 GLN 26 -13.827 10.768 -1.261
165 HE22 GLN 26 2HE2 GLN 26 -13.277 11.554 -2.698
166 H SER 27 H SER 27 -10.295 7.052 1.557
167 HA SER 27 HA SER 27 -8.247 8.562 2.744
168 HB2 SER 27 1HB SER 27 -9.810 6.637 3.683
169 HB3 SER 27 2HB SER 27 -8.425 5.626 3.273
170 HG SER 27 HG SER 27 -7.851 7.963 4.642
171 H LEU 28 H LEU 28 -8.134 5.682 0.688
172 HA LEU 28 HA LEU 28 -5.375 5.217 0.836
173 HB2 LEU 28 1HB LEU 28 -6.758 3.522 -0.058
174 HB3 LEU 28 2HB LEU 28 -7.424 4.608 -1.276
175 HG LEU 28 HG LEU 28 -5.125 4.660 -2.317
176 HD11 LEU 28 1HD1 LEU 28 -4.076 2.247 -1.529
177 HD12 LEU 28 2HD1 LEU 28 -4.598 2.969 -0.007
178 HD13 LEU 28 3HD1 LEU 28 -3.479 3.838 -1.057
179 HD21 LEU 28 3HD2 LEU 28 -7.018 2.399 -2.252
180 HD22 LEU 28 1HD2 LEU 28 -5.442 2.071 -2.973
181 HD23 LEU 28 2HD2 LEU 28 -6.450 3.370 -3.611
182 H SER 29 H SER 29 -7.268 7.102 -1.509
183 HA SER 29 HA SER 29 -5.177 7.875 -3.178
184 HB2 SER 29 1HB SER 29 -7.690 9.406 -2.465
185 HB3 SER 29 2HB SER 29 -6.638 9.767 -3.834
186 HG SER 29 HG SER 29 -8.435 8.463 -4.423
187 H VAL 30 H VAL 30 -6.588 9.685 -0.448
188 HA VAL 30 HA VAL 30 -4.678 11.769 -0.512
189 HB VAL 30 HB VAL 30 -6.408 10.848 1.788
190 HG11 VAL 30 1HG1 VAL 30 -4.573 12.198 2.593
191 HG12 VAL 30 2HG1 VAL 30 -4.897 13.424 1.366
192 HG13 VAL 30 3HG1 VAL 30 -6.065 13.134 2.655
193 HG21 VAL 30 3HG2 VAL 30 -8.091 11.629 0.554
194 HG22 VAL 30 1HG2 VAL 30 -7.390 13.235 0.756
195 HG23 VAL 30 2HG2 VAL 30 -6.989 12.269 -0.664
196 H HIS 31 H HIS 31 -4.688 8.607 0.918
197 HA HIS 31 HA HIS 31 -2.603 9.072 2.808
198 HB2 HIS 31 1HB HIS 31 -3.769 7.195 3.413
199 HB3 HIS 31 2HB HIS 31 -4.048 6.700 1.746
200 HD1 HIS 31 HD1 HIS 31 -1.269 6.726 4.324
201 HD2 HIS 31 HD2 HIS 31 -2.385 4.735 0.853
202 HE1 HIS 31 HE1 HIS 31 0.380 4.844 4.069
203 H GLN 32 H GLN 32 -2.698 7.621 -0.433
204 HA GLN 32 HA GLN 32 -0.072 6.837 -0.690
205 HB2 GLN 32 1HB GLN 32 -2.097 7.844 -2.654
206 HB3 GLN 32 2HB GLN 32 -0.452 7.527 -3.189
207 HG2 GLN 32 1HG GLN 32 -0.718 5.216 -2.199
208 HG3 GLN 32 2HG GLN 32 -2.435 5.587 -2.045
209 HE21 GLN 32 1HE2 GLN 32 -2.049 3.503 -3.495
210 HE22 GLN 32 2HE2 GLN 32 -2.154 3.816 -5.191
211 H ARG 33 H ARG 33 -1.326 10.020 -0.459
212 HA ARG 33 HA ARG 33 0.601 11.499 -1.835
213 HB2 ARG 33 1HB ARG 33 -0.902 12.236 0.683
214 HB3 ARG 33 2HB ARG 33 -0.035 13.366 -0.347
215 HG2 ARG 33 1HG ARG 33 -1.546 12.894 -2.184
216 HG3 ARG 33 2HG ARG 33 -2.389 11.695 -1.202
217 HD2 ARG 33 1HD ARG 33 -3.019 13.454 0.387
218 HD3 ARG 33 2HD ARG 33 -2.191 14.646 -0.614
219 HE ARG 33 HE ARG 33 -4.802 13.613 -1.018
220 HH11 ARG 33 1HH1 ARG 33 -1.960 14.680 -2.722
221 HH12 ARG 33 2HH1 ARG 33 -2.830 15.153 -4.143
222 HH21 ARG 33 1HH2 ARG 33 -5.959 14.232 -2.884
223 HH22 ARG 33 2HH2 ARG 33 -5.105 14.898 -4.234
224 H ILE 34 H ILE 34 0.588 10.264 1.479
225 HA ILE 34 HA ILE 34 2.811 11.506 2.518
226 HB ILE 34 HB ILE 34 2.959 9.799 4.117
227 HG12 ILE 34 1HG1 ILE 34 1.626 7.945 2.131
228 HG13 ILE 34 2HG1 ILE 34 3.334 7.936 2.553
229 HG21 ILE 34 1HG2 ILE 34 0.187 9.108 3.641
230 HG22 ILE 34 2HG2 ILE 34 0.905 10.067 4.934
231 HG23 ILE 34 3HG2 ILE 34 0.489 10.828 3.399
232 HD11 ILE 34 3HD1 ILE 34 0.991 6.964 4.083
233 HD12 ILE 34 1HD1 ILE 34 2.592 6.253 3.882
234 HD13 ILE 34 2HD1 ILE 34 2.363 7.611 4.984
235 H HIS 35 H HIS 35 2.656 8.924 0.173
236 HA HIS 35 HA HIS 35 5.440 8.247 0.339
237 HB2 HIS 35 1HB HIS 35 3.624 7.636 -1.986
238 HB3 HIS 35 2HB HIS 35 5.027 6.729 -1.429
239 HD1 HIS 35 HD1 HIS 35 4.392 6.269 1.480
240 HD2 HIS 35 HD2 HIS 35 1.538 5.977 -1.525
241 HE1 HIS 35 HE1 HIS 35 2.579 4.799 2.415
242 H SER 36 H SER 36 3.493 10.479 -1.497
243 HA SER 36 HA SER 36 4.951 11.044 -3.712
244 HB2 SER 36 1HB SER 36 2.852 12.214 -2.961
245 HB3 SER 36 2HB SER 36 3.853 13.198 -1.894
246 HG SER 36 HG SER 36 4.049 14.422 -3.592
247 H GLY 37 H GLY 37 6.847 12.004 -4.241
248 HA2 GLY 37 1HA GLY 37 8.399 13.843 -3.157
249 HA3 GLY 37 2HA GLY 37 8.700 12.520 -2.040
250 H LYS 38 H LYS 38 10.829 13.514 -3.314
251 HA LYS 38 HA LYS 38 11.416 11.497 -5.382
252 HB2 LYS 38 1HB LYS 38 12.133 14.398 -5.218
253 HB3 LYS 38 2HB LYS 38 13.219 13.290 -6.046
254 HG2 LYS 38 1HG LYS 38 10.309 13.367 -6.732
255 HG3 LYS 38 2HG LYS 38 11.432 14.550 -7.407
256 HD2 LYS 38 1HD LYS 38 12.052 11.626 -7.555
257 HD3 LYS 38 2HD LYS 38 10.942 12.359 -8.715
258 HE2 LYS 38 1HE LYS 38 13.741 13.341 -8.175
259 HE3 LYS 38 2HE LYS 38 13.305 12.255 -9.494
260 HZ1 LYS 38 3HZ LYS 38 12.212 14.989 -9.103
261 HZ2 LYS 38 1HZ LYS 38 11.865 13.952 -10.393
262 HZ3 LYS 38 2HZ LYS 38 13.426 14.575 -10.205
263 H LYS 39 H LYS 39 12.706 9.991 -4.564
264 HA LYS 39 HA LYS 39 14.733 10.784 -2.583
265 HB2 LYS 39 1HB LYS 39 13.168 8.274 -3.016
266 HB3 LYS 39 2HB LYS 39 14.759 8.165 -2.274
267 HG2 LYS 39 1HG LYS 39 13.813 10.050 -0.715
268 HG3 LYS 39 2HG LYS 39 12.258 9.395 -1.233
269 HD2 LYS 39 1HD LYS 39 14.467 7.670 -0.135
270 HD3 LYS 39 2HD LYS 39 13.241 8.420 0.892
271 HE2 LYS 39 1HE LYS 39 12.578 6.657 -1.457
272 HE3 LYS 39 2HE LYS 39 12.782 6.042 0.183
273 HZ1 LYS 39 3HZ LYS 39 10.728 6.661 0.673
274 HZ2 LYS 39 1HZ LYS 39 10.490 7.116 -0.939
275 HZ3 LYS 39 2HZ LYS 39 11.026 8.255 0.191
276 HA PRO 40 HA PRO 40 17.979 9.870 -5.400
277 HB2 PRO 40 1HB PRO 40 19.925 9.109 -3.666
278 HB3 PRO 40 2HB PRO 40 19.403 10.788 -3.848
279 HG2 PRO 40 1HG PRO 40 18.635 8.781 -1.764
280 HG3 PRO 40 2HG PRO 40 19.043 10.496 -1.569
281 HD2 PRO 40 1HD PRO 40 16.488 9.599 -1.592
282 HD3 PRO 40 2HD PRO 40 16.945 11.197 -2.216
283 H SER 41 H SER 41 16.528 7.490 -3.457
284 HA SER 41 HA SER 41 17.956 5.214 -3.632
285 HB2 SER 41 1HB SER 41 15.677 5.311 -2.710
286 HB3 SER 41 2HB SER 41 15.020 5.454 -4.340
287 HG SER 41 HG SER 41 15.846 3.388 -4.790
288 H GLY 42 H GLY 42 19.320 4.868 -5.316
289 HA2 GLY 42 1HA GLY 42 19.837 3.858 -7.347
290 HA3 GLY 42 2HA GLY 42 18.135 3.926 -7.782
291 HA PRO 43 HA PRO 43 20.105 6.964 -10.545
292 HB2 PRO 43 1HB PRO 43 18.266 6.667 -12.519
293 HB3 PRO 43 2HB PRO 43 19.644 5.578 -12.319
294 HG2 PRO 43 1HG PRO 43 16.800 5.210 -11.461
295 HG3 PRO 43 2HG PRO 43 17.899 4.044 -12.221
296 HD2 PRO 43 1HD PRO 43 17.395 4.051 -9.561
297 HD3 PRO 43 2HD PRO 43 18.963 3.562 -10.235
298 H SER 44 H SER 44 19.674 9.089 -10.589
299 HA SER 44 HA SER 44 16.938 9.956 -9.914
300 HB2 SER 44 1HB SER 44 17.897 11.886 -8.790
301 HB3 SER 44 2HB SER 44 18.617 10.416 -8.134
302 HG SER 44 HG SER 44 20.227 10.972 -10.002
303 H SER 45 H SER 45 16.490 12.252 -10.651
304 HA SER 45 HA SER 45 16.752 12.378 -13.460
305 HB2 SER 45 1HB SER 45 14.927 13.400 -11.928
306 HB3 SER 45 2HB SER 45 16.037 14.761 -11.767
307 HG SER 45 HG SER 45 15.176 13.725 -14.262
308 H GLY 46 H GLY 46 17.698 14.159 -14.701
309 HA2 GLY 46 1HA GLY 46 19.463 15.490 -15.322
310 HA3 GLY 46 2HA GLY 46 19.622 15.921 -13.626
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -0.049 -12.963 5.022
2 HA2 GLY 1 1HA GLY 1 -1.156 -13.345 7.003
3 HA3 GLY 1 2HA GLY 1 -2.353 -12.166 6.488
4 H SER 2 H SER 2 -1.620 -15.482 6.876
5 HA SER 2 HA SER 2 -3.201 -16.882 5.199
6 HB2 SER 2 1HB SER 2 -1.964 -18.010 6.935
7 HB3 SER 2 2HB SER 2 -2.947 -17.257 8.190
8 HG SER 2 HG SER 2 -3.676 -19.255 6.335
9 H SER 3 H SER 3 -5.352 -17.411 4.959
10 HA SER 3 HA SER 3 -7.230 -15.531 6.192
11 HB2 SER 3 1HB SER 3 -7.232 -17.135 3.663
12 HB3 SER 3 2HB SER 3 -8.772 -16.634 4.361
13 HG SER 3 HG SER 3 -7.448 -15.197 2.789
14 H GLY 4 H GLY 4 -8.081 -16.266 8.033
15 HA2 GLY 4 1HA GLY 4 -9.750 -18.562 8.052
16 HA3 GLY 4 2HA GLY 4 -8.238 -18.906 8.880
17 H SER 5 H SER 5 -10.283 -15.995 8.775
18 HA SER 5 HA SER 5 -10.721 -16.275 11.665
19 HB2 SER 5 1HB SER 5 -8.940 -14.711 11.606
20 HB3 SER 5 2HB SER 5 -9.628 -13.862 10.222
21 HG SER 5 HG SER 5 -11.131 -12.950 11.511
22 H SER 6 H SER 6 -12.848 -16.477 11.869
23 HA SER 6 HA SER 6 -14.753 -15.637 9.988
24 HB2 SER 6 1HB SER 6 -15.100 -16.275 12.927
25 HB3 SER 6 2HB SER 6 -16.420 -16.112 11.768
26 HG SER 6 HG SER 6 -14.869 -18.241 12.261
27 H GLY 7 H GLY 7 -15.707 -13.739 9.614
28 HA2 GLY 7 1HA GLY 7 -16.511 -11.839 11.443
29 HA3 GLY 7 2HA GLY 7 -14.864 -11.400 11.017
30 H THR 8 H THR 8 -16.315 -9.460 10.371
31 HA THR 8 HA THR 8 -16.713 -9.667 7.481
32 HB THR 8 HB THR 8 -18.953 -9.969 8.388
33 HG1 THR 8 HG1 THR 8 -18.623 -7.323 7.376
34 HG21 THR 8 3HG2 THR 8 -18.082 -7.902 10.224
35 HG22 THR 8 1HG2 THR 8 -19.430 -9.030 10.360
36 HG23 THR 8 2HG2 THR 8 -19.637 -7.510 9.490
37 H GLY 9 H GLY 9 -16.209 -7.827 6.353
38 HA2 GLY 9 1HA GLY 9 -16.085 -5.337 6.440
39 HA3 GLY 9 2HA GLY 9 -15.264 -5.546 7.979
40 H GLU 10 H GLU 10 -14.904 -7.035 4.758
41 HA GLU 10 HA GLU 10 -12.022 -6.879 5.006
42 HB2 GLU 10 1HB GLU 10 -13.526 -8.767 3.919
43 HB3 GLU 10 2HB GLU 10 -13.368 -7.756 2.490
44 HG2 GLU 10 1HG GLU 10 -11.640 -9.294 2.294
45 HG3 GLU 10 2HG GLU 10 -10.855 -7.845 2.920
46 H LYS 11 H LYS 11 -10.777 -5.329 4.191
47 HA LYS 11 HA LYS 11 -11.921 -3.065 2.888
48 HB2 LYS 11 1HB LYS 11 -9.087 -3.865 3.529
49 HB3 LYS 11 2HB LYS 11 -9.469 -2.379 2.669
50 HG2 LYS 11 1HG LYS 11 -9.397 -1.553 4.775
51 HG3 LYS 11 2HG LYS 11 -11.091 -2.048 4.744
52 HD2 LYS 11 1HD LYS 11 -10.214 -2.868 6.779
53 HD3 LYS 11 2HD LYS 11 -10.318 -4.264 5.703
54 HE2 LYS 11 1HE LYS 11 -8.207 -4.555 6.533
55 HE3 LYS 11 2HE LYS 11 -7.846 -3.571 5.116
56 HZ1 LYS 11 3HZ LYS 11 -7.864 -1.606 6.566
57 HZ2 LYS 11 1HZ LYS 11 -6.676 -2.723 7.018
58 HZ3 LYS 11 2HZ LYS 11 -8.107 -2.603 7.911
59 HA PRO 12 HA PRO 12 -11.642 -4.914 -1.189
60 HB2 PRO 12 1HB PRO 12 -12.926 -2.884 -2.457
61 HB3 PRO 12 2HB PRO 12 -13.775 -4.135 -1.541
62 HG2 PRO 12 1HG PRO 12 -13.038 -1.354 -0.714
63 HG3 PRO 12 2HG PRO 12 -14.554 -2.235 -0.450
64 HD2 PRO 12 1HD PRO 12 -12.668 -1.972 1.475
65 HD3 PRO 12 2HD PRO 12 -13.708 -3.405 1.346
66 H TYR 13 H TYR 13 -10.313 -1.999 0.018
67 HA TYR 13 HA TYR 13 -8.656 -1.723 -2.404
68 HB2 TYR 13 1HB TYR 13 -9.362 0.463 -0.438
69 HB3 TYR 13 2HB TYR 13 -8.447 0.647 -1.930
70 HD1 TYR 13 HD2 TYR 13 -9.684 0.001 -4.123
71 HD2 TYR 13 HD1 TYR 13 -11.659 0.817 -0.444
72 HE1 TYR 13 HE2 TYR 13 -11.767 0.454 -5.349
73 HE2 TYR 13 HE1 TYR 13 -13.748 1.272 -1.659
74 HH TYR 13 HH TYR 13 -13.920 0.965 -5.195
75 H GLU 14 H GLU 14 -6.461 -0.902 -2.020
76 HA GLU 14 HA GLU 14 -5.285 -0.848 0.542
77 HB2 GLU 14 1HB GLU 14 -4.302 -2.924 0.797
78 HB3 GLU 14 2HB GLU 14 -5.861 -3.360 0.112
79 HG2 GLU 14 1HG GLU 14 -3.362 -3.020 -1.523
80 HG3 GLU 14 2HG GLU 14 -3.898 -4.561 -0.856
81 H CYS 15 H CYS 15 -3.186 -0.121 0.472
82 HA CYS 15 HA CYS 15 -2.301 0.936 -2.046
83 HB2 CYS 15 1HB CYS 15 -2.055 1.882 0.419
84 HB3 CYS 15 2HB CYS 15 -0.551 0.968 0.372
85 H SER 16 H SER 16 -0.312 0.506 -3.083
86 HA SER 16 HA SER 16 0.639 -2.240 -2.654
87 HB2 SER 16 1HB SER 16 -0.303 -1.411 -4.922
88 HB3 SER 16 2HB SER 16 1.244 -0.581 -5.092
89 HG SER 16 HG SER 16 0.899 -2.918 -5.871
90 H VAL 17 H VAL 17 1.916 0.962 -3.569
91 HA VAL 17 HA VAL 17 4.580 0.609 -3.486
92 HB VAL 17 HB VAL 17 4.777 2.890 -2.417
93 HG11 VAL 17 1HG1 VAL 17 4.769 2.954 -4.726
94 HG12 VAL 17 2HG1 VAL 17 3.128 2.314 -4.843
95 HG13 VAL 17 3HG1 VAL 17 3.392 3.982 -4.330
96 HG21 VAL 17 3HG2 VAL 17 1.907 2.346 -1.974
97 HG22 VAL 17 1HG2 VAL 17 3.036 3.328 -1.040
98 HG23 VAL 17 2HG2 VAL 17 2.320 3.972 -2.518
99 H CYS 18 H CYS 18 2.600 1.190 -0.580
100 HA CYS 18 HA CYS 18 4.852 0.314 1.081
101 HB2 CYS 18 1HB CYS 18 3.626 1.282 2.958
102 HB3 CYS 18 2HB CYS 18 3.791 2.462 1.662
103 H GLY 19 H GLY 19 1.416 -0.341 0.497
104 HA2 GLY 19 1HA GLY 19 0.638 -2.625 0.420
105 HA3 GLY 19 2HA GLY 19 1.841 -3.025 1.637
106 H LYS 20 H LYS 20 -0.177 -0.176 1.833
107 HA LYS 20 HA LYS 20 -1.197 -1.062 4.387
108 HB2 LYS 20 1HB LYS 20 -0.461 1.335 3.699
109 HB3 LYS 20 2HB LYS 20 -2.065 1.448 2.986
110 HG2 LYS 20 1HG LYS 20 -3.115 1.482 5.005
111 HG3 LYS 20 2HG LYS 20 -1.864 0.521 5.797
112 HD2 LYS 20 1HD LYS 20 -0.457 2.362 6.075
113 HD3 LYS 20 2HD LYS 20 -1.299 3.308 4.844
114 HE2 LYS 20 1HE LYS 20 -3.069 3.807 6.259
115 HE3 LYS 20 2HE LYS 20 -2.731 2.443 7.325
116 HZ1 LYS 20 3HZ LYS 20 -1.459 3.725 8.584
117 HZ2 LYS 20 1HZ LYS 20 -1.943 5.064 7.671
118 HZ3 LYS 20 2HZ LYS 20 -0.531 4.228 7.262
119 H ALA 21 H ALA 21 -3.653 -0.322 4.724
120 HA ALA 21 HA ALA 21 -5.288 -1.280 2.490
121 HB1 ALA 21 3HB ALA 21 -6.024 -2.310 5.167
122 HB2 ALA 21 1HB ALA 21 -6.214 -3.045 3.575
123 HB3 ALA 21 2HB ALA 21 -4.638 -3.051 4.368
124 H PHE 22 H PHE 22 -7.336 -0.420 2.394
125 HA PHE 22 HA PHE 22 -8.253 1.276 4.587
126 HB2 PHE 22 1HB PHE 22 -8.088 2.308 1.750
127 HB3 PHE 22 2HB PHE 22 -8.617 3.198 3.174
128 HD1 PHE 22 HD1 PHE 22 -5.732 1.824 1.384
129 HD2 PHE 22 HD2 PHE 22 -7.033 4.101 4.737
130 HE1 PHE 22 HE1 PHE 22 -3.426 2.601 1.747
131 HE2 PHE 22 HE2 PHE 22 -4.729 4.882 5.105
132 HZ PHE 22 HZ PHE 22 -2.922 4.133 3.608
133 H SER 23 H SER 23 -10.504 1.825 4.461
134 HA SER 23 HA SER 23 -12.065 -0.289 3.280
135 HB2 SER 23 1HB SER 23 -13.975 1.176 4.329
136 HB3 SER 23 2HB SER 23 -12.887 0.268 5.379
137 HG SER 23 HG SER 23 -12.262 2.088 6.196
138 H HIS 24 H HIS 24 -11.820 3.231 2.903
139 HA HIS 24 HA HIS 24 -13.393 3.008 0.424
140 HB2 HIS 24 1HB HIS 24 -13.925 4.625 2.521
141 HB3 HIS 24 2HB HIS 24 -12.879 5.686 1.580
142 HD1 HIS 24 HD1 HIS 24 -13.934 6.885 -0.338
143 HD2 HIS 24 HD2 HIS 24 -16.273 3.737 1.033
144 HE1 HIS 24 HE1 HIS 24 -16.108 7.067 -1.590
145 H ARG 25 H ARG 25 -12.773 4.630 -1.281
146 HA ARG 25 HA ARG 25 -10.018 4.290 -1.923
147 HB2 ARG 25 1HB ARG 25 -12.385 5.539 -3.222
148 HB3 ARG 25 2HB ARG 25 -10.797 6.053 -3.774
149 HG2 ARG 25 1HG ARG 25 -10.217 3.728 -4.265
150 HG3 ARG 25 2HG ARG 25 -11.816 3.220 -3.720
151 HD2 ARG 25 1HD ARG 25 -12.850 4.553 -5.480
152 HD3 ARG 25 2HD ARG 25 -11.261 5.103 -6.010
153 HE ARG 25 HE ARG 25 -11.426 2.267 -6.021
154 HH11 ARG 25 1HH1 ARG 25 -12.388 5.108 -7.788
155 HH12 ARG 25 2HH1 ARG 25 -12.470 4.291 -9.314
156 HH21 ARG 25 1HH2 ARG 25 -11.530 1.180 -8.024
157 HH22 ARG 25 2HH2 ARG 25 -11.982 2.057 -9.446
158 H GLN 26 H GLN 26 -11.966 7.239 -1.414
159 HA GLN 26 HA GLN 26 -10.188 9.218 -1.568
160 HB2 GLN 26 1HB GLN 26 -11.387 10.432 0.142
161 HB3 GLN 26 2HB GLN 26 -12.530 9.483 -0.799
162 HG2 GLN 26 1HG GLN 26 -12.587 7.797 0.965
163 HG3 GLN 26 2HG GLN 26 -11.440 8.747 1.908
164 HE21 GLN 26 1HE2 GLN 26 -14.567 7.975 1.696
165 HE22 GLN 26 2HE2 GLN 26 -15.291 9.396 2.361
166 H SER 27 H SER 27 -10.331 6.895 1.080
167 HA SER 27 HA SER 27 -8.384 8.126 2.718
168 HB2 SER 27 1HB SER 27 -10.095 6.156 3.183
169 HB3 SER 27 2HB SER 27 -8.715 5.155 2.729
170 HG SER 27 HG SER 27 -8.892 5.684 5.017
171 H LEU 28 H LEU 28 -8.108 5.278 0.585
172 HA LEU 28 HA LEU 28 -5.366 4.912 0.809
173 HB2 LEU 28 1HB LEU 28 -6.577 3.198 -0.217
174 HB3 LEU 28 2HB LEU 28 -7.332 4.299 -1.368
175 HG LEU 28 HG LEU 28 -5.214 4.511 -2.565
176 HD11 LEU 28 1HD1 LEU 28 -3.703 4.208 -0.669
177 HD12 LEU 28 2HD1 LEU 28 -3.309 3.109 -1.990
178 HD13 LEU 28 3HD1 LEU 28 -4.164 2.508 -0.570
179 HD21 LEU 28 3HD2 LEU 28 -6.124 1.680 -2.071
180 HD22 LEU 28 1HD2 LEU 28 -5.064 2.174 -3.392
181 HD23 LEU 28 2HD2 LEU 28 -6.715 2.791 -3.308
182 H SER 29 H SER 29 -7.191 7.061 -1.300
183 HA SER 29 HA SER 29 -5.032 7.862 -2.937
184 HB2 SER 29 1HB SER 29 -7.492 8.201 -3.422
185 HB3 SER 29 2HB SER 29 -7.462 9.528 -2.261
186 HG SER 29 HG SER 29 -6.546 10.735 -3.710
187 H VAL 30 H VAL 30 -6.652 9.702 -0.342
188 HA VAL 30 HA VAL 30 -4.807 11.763 -0.157
189 HB VAL 30 HB VAL 30 -6.476 10.577 2.065
190 HG11 VAL 30 1HG1 VAL 30 -5.290 11.937 3.382
191 HG12 VAL 30 2HG1 VAL 30 -4.561 12.773 2.010
192 HG13 VAL 30 3HG1 VAL 30 -6.156 13.254 2.593
193 HG21 VAL 30 3HG2 VAL 30 -8.209 11.421 0.957
194 HG22 VAL 30 1HG2 VAL 30 -7.521 13.027 1.197
195 HG23 VAL 30 2HG2 VAL 30 -7.147 12.117 -0.267
196 H HIS 31 H HIS 31 -4.555 8.497 0.908
197 HA HIS 31 HA HIS 31 -2.481 8.957 2.844
198 HB2 HIS 31 1HB HIS 31 -3.566 7.003 3.363
199 HB3 HIS 31 2HB HIS 31 -3.838 6.578 1.676
200 HD1 HIS 31 HD1 HIS 31 -1.142 6.493 4.317
201 HD2 HIS 31 HD2 HIS 31 -1.985 4.865 0.588
202 HE1 HIS 31 HE1 HIS 31 0.621 4.741 3.934
203 H GLN 32 H GLN 32 -2.604 7.677 -0.469
204 HA GLN 32 HA GLN 32 0.004 6.982 -0.878
205 HB2 GLN 32 1HB GLN 32 -2.041 8.219 -2.687
206 HB3 GLN 32 2HB GLN 32 -0.412 7.921 -3.278
207 HG2 GLN 32 1HG GLN 32 -0.718 5.528 -2.526
208 HG3 GLN 32 2HG GLN 32 -2.423 5.919 -2.302
209 HE21 GLN 32 1HE2 GLN 32 -3.742 6.001 -4.032
210 HE22 GLN 32 2HE2 GLN 32 -3.238 5.708 -5.659
211 H ARG 33 H ARG 33 -1.313 10.187 -0.549
212 HA ARG 33 HA ARG 33 0.625 11.765 -1.705
213 HB2 ARG 33 1HB ARG 33 -0.851 12.259 0.888
214 HB3 ARG 33 2HB ARG 33 0.014 13.484 -0.031
215 HG2 ARG 33 1HG ARG 33 -1.562 12.731 -1.970
216 HG3 ARG 33 2HG ARG 33 -2.557 12.114 -0.650
217 HD2 ARG 33 1HD ARG 33 -1.597 14.952 -1.003
218 HD3 ARG 33 2HD ARG 33 -3.242 14.365 -1.248
219 HE ARG 33 HE ARG 33 -2.342 13.786 1.378
220 HH11 ARG 33 1HH1 ARG 33 -3.485 16.385 -0.637
221 HH12 ARG 33 2HH1 ARG 33 -4.129 17.301 0.685
222 HH21 ARG 33 1HH2 ARG 33 -3.187 14.983 3.127
223 HH22 ARG 33 2HH2 ARG 33 -3.959 16.503 2.825
224 H ILE 34 H ILE 34 0.673 10.196 1.459
225 HA ILE 34 HA ILE 34 2.889 11.343 2.607
226 HB ILE 34 HB ILE 34 3.121 9.428 3.966
227 HG12 ILE 34 1HG1 ILE 34 1.620 7.847 1.868
228 HG13 ILE 34 2HG1 ILE 34 3.364 7.800 2.105
229 HG21 ILE 34 1HG2 ILE 34 0.597 10.528 3.420
230 HG22 ILE 34 2HG2 ILE 34 0.348 8.795 3.623
231 HG23 ILE 34 3HG2 ILE 34 1.129 9.729 4.899
232 HD11 ILE 34 3HD1 ILE 34 1.433 7.097 4.288
233 HD12 ILE 34 1HD1 ILE 34 2.014 5.916 3.115
234 HD13 ILE 34 2HD1 ILE 34 3.155 6.733 4.183
235 H HIS 35 H HIS 35 2.753 8.996 0.014
236 HA HIS 35 HA HIS 35 5.583 8.459 0.054
237 HB2 HIS 35 1HB HIS 35 3.666 7.847 -2.195
238 HB3 HIS 35 2HB HIS 35 5.186 7.041 -1.820
239 HD1 HIS 35 HD1 HIS 35 4.845 6.341 1.094
240 HD2 HIS 35 HD2 HIS 35 1.785 5.969 -1.693
241 HE1 HIS 35 HE1 HIS 35 3.256 4.648 2.062
242 H SER 36 H SER 36 3.434 10.682 -1.535
243 HA SER 36 HA SER 36 5.698 11.715 -3.113
244 HB2 SER 36 1HB SER 36 2.764 11.539 -3.708
245 HB3 SER 36 2HB SER 36 3.728 12.814 -4.453
246 HG SER 36 HG SER 36 3.510 10.691 -5.588
247 H GLY 37 H GLY 37 6.358 12.934 -1.231
248 HA2 GLY 37 1HA GLY 37 5.301 15.587 -1.257
249 HA3 GLY 37 2HA GLY 37 4.855 14.735 0.214
250 H LYS 38 H LYS 38 7.563 15.885 -1.718
251 HA LYS 38 HA LYS 38 9.180 15.948 0.742
252 HB2 LYS 38 1HB LYS 38 10.040 14.136 -0.595
253 HB3 LYS 38 2HB LYS 38 10.074 15.150 -2.032
254 HG2 LYS 38 1HG LYS 38 12.275 15.195 -1.439
255 HG3 LYS 38 2HG LYS 38 11.687 16.617 -0.573
256 HD2 LYS 38 1HD LYS 38 11.825 15.591 1.479
257 HD3 LYS 38 2HD LYS 38 11.627 13.973 0.802
258 HE2 LYS 38 1HE LYS 38 13.844 13.769 0.286
259 HE3 LYS 38 2HE LYS 38 14.063 15.504 0.061
260 HZ1 LYS 38 3HZ LYS 38 14.336 15.850 2.302
261 HZ2 LYS 38 1HZ LYS 38 15.072 14.337 2.121
262 HZ3 LYS 38 2HZ LYS 38 13.505 14.446 2.748
263 H LYS 39 H LYS 39 8.733 17.269 -2.519
264 HA LYS 39 HA LYS 39 10.311 19.615 -1.903
265 HB2 LYS 39 1HB LYS 39 8.659 18.898 -4.332
266 HB3 LYS 39 2HB LYS 39 9.671 20.331 -4.198
267 HG2 LYS 39 1HG LYS 39 11.598 18.722 -3.757
268 HG3 LYS 39 2HG LYS 39 10.511 17.456 -4.334
269 HD2 LYS 39 1HD LYS 39 10.459 18.301 -6.486
270 HD3 LYS 39 2HD LYS 39 10.913 19.927 -5.969
271 HE2 LYS 39 1HE LYS 39 12.763 17.555 -5.820
272 HE3 LYS 39 2HE LYS 39 12.691 18.643 -7.205
273 HZ1 LYS 39 3HZ LYS 39 13.358 19.427 -4.419
274 HZ2 LYS 39 1HZ LYS 39 13.274 20.479 -5.741
275 HZ3 LYS 39 2HZ LYS 39 14.458 19.272 -5.694
276 HA PRO 40 HA PRO 40 7.047 22.148 -0.397
277 HB2 PRO 40 1HB PRO 40 7.999 24.592 -1.096
278 HB3 PRO 40 2HB PRO 40 8.681 23.638 0.226
279 HG2 PRO 40 1HG PRO 40 9.656 23.947 -2.587
280 HG3 PRO 40 2HG PRO 40 10.583 23.946 -1.075
281 HD2 PRO 40 1HD PRO 40 10.425 21.777 -2.688
282 HD3 PRO 40 2HD PRO 40 10.574 21.646 -0.924
283 H SER 41 H SER 41 7.678 21.707 -3.658
284 HA SER 41 HA SER 41 5.410 23.410 -4.452
285 HB2 SER 41 1HB SER 41 7.489 24.011 -5.591
286 HB3 SER 41 2HB SER 41 7.691 22.346 -6.137
287 HG SER 41 HG SER 41 6.436 24.247 -7.391
288 H GLY 42 H GLY 42 6.968 20.291 -5.201
289 HA2 GLY 42 1HA GLY 42 5.208 18.423 -4.886
290 HA3 GLY 42 2HA GLY 42 4.368 19.299 -6.157
291 HA PRO 43 HA PRO 43 6.910 16.062 -8.224
292 HB2 PRO 43 1HB PRO 43 5.013 15.440 -10.064
293 HB3 PRO 43 2HB PRO 43 5.061 14.718 -8.451
294 HG2 PRO 43 1HG PRO 43 3.380 16.977 -9.465
295 HG3 PRO 43 2HG PRO 43 2.916 15.615 -8.430
296 HD2 PRO 43 1HD PRO 43 3.431 18.083 -7.444
297 HD3 PRO 43 2HD PRO 43 3.777 16.600 -6.532
298 H SER 44 H SER 44 7.104 15.814 -10.766
299 HA SER 44 HA SER 44 8.031 18.348 -11.719
300 HB2 SER 44 1HB SER 44 8.718 17.085 -13.728
301 HB3 SER 44 2HB SER 44 9.249 16.291 -12.245
302 HG SER 44 HG SER 44 7.548 15.404 -14.179
303 H SER 45 H SER 45 6.055 19.553 -11.748
304 HA SER 45 HA SER 45 4.004 18.762 -13.647
305 HB2 SER 45 1HB SER 45 2.719 20.591 -12.797
306 HB3 SER 45 2HB SER 45 3.492 19.828 -11.407
307 HG SER 45 HG SER 45 4.635 21.574 -11.081
308 H GLY 46 H GLY 46 4.177 19.234 -15.730
309 HA2 GLY 46 1HA GLY 46 6.149 20.820 -16.884
310 HA3 GLY 46 2HA GLY 46 4.651 20.354 -17.676
Start of MODEL 17
1 H1 GLY 1 H GLY 1 13.278 -14.539 7.642
2 HA2 GLY 1 1HA GLY 1 11.434 -15.735 5.848
3 HA3 GLY 1 2HA GLY 1 12.664 -16.900 6.312
4 H SER 2 H SER 2 9.761 -15.378 7.191
5 HA SER 2 HA SER 2 9.890 -16.633 9.855
6 HB2 SER 2 1HB SER 2 8.586 -14.872 10.783
7 HB3 SER 2 2HB SER 2 9.839 -14.085 9.823
8 HG SER 2 HG SER 2 7.156 -14.564 9.024
9 H SER 3 H SER 3 7.847 -17.410 10.700
10 HA SER 3 HA SER 3 5.999 -18.218 8.551
11 HB2 SER 3 1HB SER 3 7.020 -19.692 10.963
12 HB3 SER 3 2HB SER 3 5.481 -20.141 10.229
13 HG SER 3 HG SER 3 6.528 -20.639 8.347
14 H GLY 4 H GLY 4 3.756 -18.405 9.082
15 HA2 GLY 4 1HA GLY 4 2.454 -17.912 11.415
16 HA3 GLY 4 2HA GLY 4 2.877 -16.303 10.849
17 H SER 5 H SER 5 0.434 -18.428 10.942
18 HA SER 5 HA SER 5 -0.583 -18.451 8.315
19 HB2 SER 5 1HB SER 5 -2.749 -19.019 9.387
20 HB3 SER 5 2HB SER 5 -1.416 -19.992 10.010
21 HG SER 5 HG SER 5 -1.571 -19.026 11.903
22 H SER 6 H SER 6 -2.811 -17.414 7.842
23 HA SER 6 HA SER 6 -3.111 -14.736 8.925
24 HB2 SER 6 1HB SER 6 -2.522 -15.213 5.994
25 HB3 SER 6 2HB SER 6 -3.035 -13.674 6.686
26 HG SER 6 HG SER 6 -0.657 -15.100 7.297
27 H GLY 7 H GLY 7 -5.207 -14.506 9.307
28 HA2 GLY 7 1HA GLY 7 -7.196 -16.237 8.347
29 HA3 GLY 7 2HA GLY 7 -7.487 -14.688 9.126
30 H THR 8 H THR 8 -8.239 -16.346 6.481
31 HA THR 8 HA THR 8 -7.710 -14.732 4.283
32 HB THR 8 HB THR 8 -8.710 -16.968 4.087
33 HG1 THR 8 HG1 THR 8 -10.228 -16.376 2.437
34 HG21 THR 8 3HG2 THR 8 -10.891 -15.663 5.600
35 HG22 THR 8 1HG2 THR 8 -10.342 -17.338 5.622
36 HG23 THR 8 2HG2 THR 8 -11.380 -16.768 4.316
37 H GLY 9 H GLY 9 -8.917 -13.124 3.206
38 HA2 GLY 9 1HA GLY 9 -10.891 -11.698 3.121
39 HA3 GLY 9 2HA GLY 9 -10.932 -11.759 4.876
40 H GLU 10 H GLU 10 -10.636 -9.568 2.734
41 HA GLU 10 HA GLU 10 -8.836 -7.945 4.284
42 HB2 GLU 10 1HB GLU 10 -7.356 -7.354 2.405
43 HB3 GLU 10 2HB GLU 10 -7.218 -9.050 2.847
44 HG2 GLU 10 1HG GLU 10 -8.541 -9.711 0.961
45 HG3 GLU 10 2HG GLU 10 -8.888 -8.029 0.563
46 H LYS 11 H LYS 11 -8.711 -5.689 3.365
47 HA LYS 11 HA LYS 11 -11.347 -4.789 2.768
48 HB2 LYS 11 1HB LYS 11 -8.679 -3.409 2.980
49 HB3 LYS 11 2HB LYS 11 -10.132 -2.540 2.505
50 HG2 LYS 11 1HG LYS 11 -10.080 -4.155 5.021
51 HG3 LYS 11 2HG LYS 11 -9.410 -2.522 4.977
52 HD2 LYS 11 1HD LYS 11 -11.460 -1.544 4.646
53 HD3 LYS 11 2HD LYS 11 -12.137 -2.975 3.865
54 HE2 LYS 11 1HE LYS 11 -12.345 -4.100 5.968
55 HE3 LYS 11 2HE LYS 11 -11.457 -2.823 6.797
56 HZ1 LYS 11 3HZ LYS 11 -13.956 -2.201 5.367
57 HZ2 LYS 11 1HZ LYS 11 -13.232 -1.379 6.656
58 HZ3 LYS 11 2HZ LYS 11 -14.012 -2.855 6.926
59 HA PRO 12 HA PRO 12 -11.363 -4.663 -1.619
60 HB2 PRO 12 1HB PRO 12 -12.779 -2.396 -2.095
61 HB3 PRO 12 2HB PRO 12 -13.518 -3.878 -1.478
62 HG2 PRO 12 1HG PRO 12 -12.666 -1.424 0.011
63 HG3 PRO 12 2HG PRO 12 -14.144 -2.387 0.193
64 HD2 PRO 12 1HD PRO 12 -12.034 -2.625 1.873
65 HD3 PRO 12 2HD PRO 12 -13.092 -3.992 1.469
66 H TYR 13 H TYR 13 -9.750 -2.313 0.204
67 HA TYR 13 HA TYR 13 -8.447 -1.265 -2.222
68 HB2 TYR 13 1HB TYR 13 -9.000 0.218 0.356
69 HB3 TYR 13 2HB TYR 13 -8.071 0.853 -0.998
70 HD1 TYR 13 HD2 TYR 13 -9.188 1.459 -3.096
71 HD2 TYR 13 HD1 TYR 13 -11.405 0.097 0.270
72 HE1 TYR 13 HE2 TYR 13 -11.254 2.318 -4.116
73 HE2 TYR 13 HE1 TYR 13 -13.477 0.951 -0.741
74 HH TYR 13 HH TYR 13 -14.157 2.641 -2.398
75 H GLU 14 H GLU 14 -6.230 -1.072 -2.196
76 HA GLU 14 HA GLU 14 -4.742 -1.637 0.225
77 HB2 GLU 14 1HB GLU 14 -5.230 -3.886 -0.592
78 HB3 GLU 14 2HB GLU 14 -4.586 -3.470 -2.174
79 HG2 GLU 14 1HG GLU 14 -2.438 -2.895 -0.742
80 HG3 GLU 14 2HG GLU 14 -3.168 -4.063 0.358
81 H CYS 15 H CYS 15 -3.144 -0.215 0.250
82 HA CYS 15 HA CYS 15 -2.407 1.401 -1.902
83 HB2 CYS 15 1HB CYS 15 -1.973 1.586 0.705
84 HB3 CYS 15 2HB CYS 15 -0.430 0.859 0.269
85 H SER 16 H SER 16 -1.212 1.026 -3.640
86 HA SER 16 HA SER 16 0.247 -1.461 -3.884
87 HB2 SER 16 1HB SER 16 -0.387 0.779 -5.802
88 HB3 SER 16 2HB SER 16 0.698 -0.542 -6.235
89 HG SER 16 HG SER 16 -1.955 -0.515 -6.281
90 H VAL 17 H VAL 17 1.190 0.687 -2.056
91 HA VAL 17 HA VAL 17 3.886 1.020 -3.202
92 HB VAL 17 HB VAL 17 2.424 2.948 -1.393
93 HG11 VAL 17 1HG1 VAL 17 4.709 2.955 -0.740
94 HG12 VAL 17 2HG1 VAL 17 5.256 2.937 -2.418
95 HG13 VAL 17 3HG1 VAL 17 4.464 4.371 -1.761
96 HG21 VAL 17 3HG2 VAL 17 3.357 3.229 -4.249
97 HG22 VAL 17 1HG2 VAL 17 1.686 3.050 -3.716
98 HG23 VAL 17 2HG2 VAL 17 2.600 4.495 -3.283
99 H CYS 18 H CYS 18 2.458 1.582 0.008
100 HA CYS 18 HA CYS 18 4.697 0.219 1.248
101 HB2 CYS 18 1HB CYS 18 3.585 0.929 3.379
102 HB3 CYS 18 2HB CYS 18 3.979 2.259 2.295
103 H GLY 19 H GLY 19 1.275 -0.303 0.680
104 HA2 GLY 19 1HA GLY 19 0.435 -2.547 0.471
105 HA3 GLY 19 2HA GLY 19 1.615 -3.055 1.671
106 H LYS 20 H LYS 20 -0.476 -0.230 1.907
107 HA LYS 20 HA LYS 20 -1.513 -1.248 4.427
108 HB2 LYS 20 1HB LYS 20 -0.698 1.191 3.856
109 HB3 LYS 20 2HB LYS 20 -2.340 1.377 3.254
110 HG2 LYS 20 1HG LYS 20 -3.275 0.998 5.378
111 HG3 LYS 20 2HG LYS 20 -1.755 0.372 6.022
112 HD2 LYS 20 1HD LYS 20 -0.876 2.766 5.377
113 HD3 LYS 20 2HD LYS 20 -2.586 3.188 5.494
114 HE2 LYS 20 1HE LYS 20 -1.045 1.772 7.663
115 HE3 LYS 20 2HE LYS 20 -1.275 3.519 7.601
116 HZ1 LYS 20 3HZ LYS 20 -3.758 2.897 7.454
117 HZ2 LYS 20 1HZ LYS 20 -2.985 2.828 8.957
118 HZ3 LYS 20 2HZ LYS 20 -3.267 1.406 8.085
119 H ALA 21 H ALA 21 -3.888 -0.838 4.879
120 HA ALA 21 HA ALA 21 -5.542 -1.385 2.509
121 HB1 ALA 21 3HB ALA 21 -5.401 -3.527 3.366
122 HB2 ALA 21 1HB ALA 21 -5.366 -2.967 5.039
123 HB3 ALA 21 2HB ALA 21 -6.873 -2.920 4.123
124 H PHE 22 H PHE 22 -7.339 -0.191 2.383
125 HA PHE 22 HA PHE 22 -8.298 1.152 4.821
126 HB2 PHE 22 1HB PHE 22 -8.277 2.415 2.077
127 HB3 PHE 22 2HB PHE 22 -8.680 3.186 3.607
128 HD1 PHE 22 HD1 PHE 22 -5.912 1.679 1.673
129 HD2 PHE 22 HD2 PHE 22 -7.021 4.168 4.943
130 HE1 PHE 22 HE1 PHE 22 -3.568 2.382 1.929
131 HE2 PHE 22 HE2 PHE 22 -4.680 4.876 5.203
132 HZ PHE 22 HZ PHE 22 -2.949 3.984 3.695
133 H SER 23 H SER 23 -10.565 2.029 4.517
134 HA SER 23 HA SER 23 -12.210 -0.113 3.468
135 HB2 SER 23 1HB SER 23 -14.052 1.521 4.426
136 HB3 SER 23 2HB SER 23 -13.056 0.553 5.514
137 HG SER 23 HG SER 23 -13.302 3.163 5.487
138 H HIS 24 H HIS 24 -11.977 3.413 3.026
139 HA HIS 24 HA HIS 24 -13.471 3.131 0.510
140 HB2 HIS 24 1HB HIS 24 -13.984 4.834 2.539
141 HB3 HIS 24 2HB HIS 24 -12.893 5.832 1.583
142 HD1 HIS 24 HD1 HIS 24 -13.852 6.948 -0.446
143 HD2 HIS 24 HD2 HIS 24 -16.364 4.021 1.100
144 HE1 HIS 24 HE1 HIS 24 -16.007 7.168 -1.724
145 H ARG 25 H ARG 25 -12.783 4.576 -1.282
146 HA ARG 25 HA ARG 25 -9.992 4.220 -1.790
147 HB2 ARG 25 1HB ARG 25 -12.000 4.179 -3.451
148 HB3 ARG 25 2HB ARG 25 -11.786 5.924 -3.486
149 HG2 ARG 25 1HG ARG 25 -9.395 4.223 -3.927
150 HG3 ARG 25 2HG ARG 25 -10.593 4.332 -5.219
151 HD2 ARG 25 1HD ARG 25 -10.423 6.886 -4.825
152 HD3 ARG 25 2HD ARG 25 -8.910 6.493 -4.009
153 HE ARG 25 HE ARG 25 -9.451 6.350 -6.848
154 HH11 ARG 25 1HH1 ARG 25 -7.358 5.420 -4.226
155 HH12 ARG 25 2HH1 ARG 25 -5.995 5.115 -5.250
156 HH21 ARG 25 1HH2 ARG 25 -7.663 5.952 -8.207
157 HH22 ARG 25 2HH2 ARG 25 -6.169 5.418 -7.514
158 H GLN 26 H GLN 26 -12.081 7.076 -1.407
159 HA GLN 26 HA GLN 26 -10.365 9.126 -1.809
160 HB2 GLN 26 1HB GLN 26 -12.821 9.091 -0.911
161 HB3 GLN 26 2HB GLN 26 -12.051 9.189 0.667
162 HG2 GLN 26 1HG GLN 26 -11.377 11.131 -1.508
163 HG3 GLN 26 2HG GLN 26 -12.787 11.359 -0.475
164 HE21 GLN 26 1HE2 GLN 26 -11.512 13.360 -0.015
165 HE22 GLN 26 2HE2 GLN 26 -10.378 13.294 1.287
166 H SER 27 H SER 27 -10.654 7.306 1.234
167 HA SER 27 HA SER 27 -8.703 8.690 2.675
168 HB2 SER 27 1HB SER 27 -9.890 5.948 2.870
169 HB3 SER 27 2HB SER 27 -8.495 6.351 3.869
170 HG SER 27 HG SER 27 -10.973 6.893 4.402
171 H LEU 28 H LEU 28 -8.405 5.739 0.714
172 HA LEU 28 HA LEU 28 -5.682 5.286 1.134
173 HB2 LEU 28 1HB LEU 28 -6.846 3.533 0.151
174 HB3 LEU 28 2HB LEU 28 -7.588 4.578 -1.059
175 HG LEU 28 HG LEU 28 -5.344 4.781 -2.145
176 HD11 LEU 28 1HD1 LEU 28 -3.793 2.819 -1.509
177 HD12 LEU 28 2HD1 LEU 28 -4.652 2.845 0.031
178 HD13 LEU 28 3HD1 LEU 28 -3.775 4.275 -0.514
179 HD21 LEU 28 3HD2 LEU 28 -6.587 3.317 -3.347
180 HD22 LEU 28 1HD2 LEU 28 -6.955 2.308 -1.948
181 HD23 LEU 28 2HD2 LEU 28 -5.386 2.175 -2.742
182 H SER 29 H SER 29 -7.264 6.955 -1.591
183 HA SER 29 HA SER 29 -5.060 7.708 -3.035
184 HB2 SER 29 1HB SER 29 -7.629 8.169 -3.393
185 HB3 SER 29 2HB SER 29 -7.246 9.717 -2.640
186 HG SER 29 HG SER 29 -7.062 9.617 -4.997
187 H VAL 30 H VAL 30 -6.567 9.579 -0.403
188 HA VAL 30 HA VAL 30 -4.683 11.662 -0.381
189 HB VAL 30 HB VAL 30 -6.404 10.633 1.879
190 HG11 VAL 30 1HG1 VAL 30 -5.149 11.981 3.148
191 HG12 VAL 30 2HG1 VAL 30 -4.406 12.758 1.749
192 HG13 VAL 30 3HG1 VAL 30 -5.980 13.302 2.329
193 HG21 VAL 30 3HG2 VAL 30 -7.286 13.119 0.853
194 HG22 VAL 30 1HG2 VAL 30 -7.031 12.039 -0.517
195 HG23 VAL 30 2HG2 VAL 30 -8.107 11.559 0.795
196 H HIS 31 H HIS 31 -4.705 8.507 1.138
197 HA HIS 31 HA HIS 31 -2.602 8.949 2.973
198 HB2 HIS 31 1HB HIS 31 -3.757 7.031 3.497
199 HB3 HIS 31 2HB HIS 31 -3.948 6.557 1.812
200 HD1 HIS 31 HD1 HIS 31 -1.369 6.549 4.573
201 HD2 HIS 31 HD2 HIS 31 -2.087 4.765 0.890
202 HE1 HIS 31 HE1 HIS 31 0.382 4.759 4.340
203 H GLN 32 H GLN 32 -2.581 7.301 -0.192
204 HA GLN 32 HA GLN 32 0.049 6.705 -0.469
205 HB2 GLN 32 1HB GLN 32 -1.981 7.660 -2.454
206 HB3 GLN 32 2HB GLN 32 -0.323 7.379 -2.968
207 HG2 GLN 32 1HG GLN 32 -0.459 5.072 -2.245
208 HG3 GLN 32 2HG GLN 32 -2.093 5.339 -1.640
209 HE21 GLN 32 1HE2 GLN 32 -3.622 4.633 -2.926
210 HE22 GLN 32 2HE2 GLN 32 -3.545 4.527 -4.649
211 H ARG 33 H ARG 33 -1.355 9.869 -0.416
212 HA ARG 33 HA ARG 33 0.413 11.467 -1.729
213 HB2 ARG 33 1HB ARG 33 -0.857 11.937 0.972
214 HB3 ARG 33 2HB ARG 33 -0.031 13.185 0.048
215 HG2 ARG 33 1HG ARG 33 -1.645 12.909 -1.767
216 HG3 ARG 33 2HG ARG 33 -2.474 11.662 -0.834
217 HD2 ARG 33 1HD ARG 33 -3.727 13.580 -0.418
218 HD3 ARG 33 2HD ARG 33 -2.679 13.455 0.994
219 HE ARG 33 HE ARG 33 -1.619 15.100 -1.118
220 HH11 ARG 33 1HH1 ARG 33 -3.620 15.008 1.729
221 HH12 ARG 33 2HH1 ARG 33 -3.440 16.697 2.069
222 HH21 ARG 33 1HH2 ARG 33 -1.374 17.325 -0.681
223 HH22 ARG 33 2HH2 ARG 33 -2.163 18.015 0.697
224 H ILE 34 H ILE 34 0.830 10.143 1.539
225 HA ILE 34 HA ILE 34 3.151 11.352 2.327
226 HB ILE 34 HB ILE 34 3.649 9.398 3.675
227 HG12 ILE 34 1HG1 ILE 34 1.531 7.991 2.034
228 HG13 ILE 34 2HG1 ILE 34 3.262 7.687 1.942
229 HG21 ILE 34 1HG2 ILE 34 1.934 10.735 4.580
230 HG22 ILE 34 2HG2 ILE 34 0.742 10.119 3.436
231 HG23 ILE 34 3HG2 ILE 34 1.359 9.074 4.717
232 HD11 ILE 34 3HD1 ILE 34 2.619 7.400 4.634
233 HD12 ILE 34 1HD1 ILE 34 1.306 6.619 3.754
234 HD13 ILE 34 2HD1 ILE 34 2.975 6.120 3.474
235 H HIS 35 H HIS 35 2.767 8.783 -0.031
236 HA HIS 35 HA HIS 35 5.578 8.262 -0.282
237 HB2 HIS 35 1HB HIS 35 3.490 7.546 -2.330
238 HB3 HIS 35 2HB HIS 35 4.996 6.710 -1.962
239 HD1 HIS 35 HD1 HIS 35 4.818 6.162 0.961
240 HD2 HIS 35 HD2 HIS 35 1.520 5.878 -1.549
241 HE1 HIS 35 HE1 HIS 35 3.204 4.638 2.142
242 H SER 36 H SER 36 3.267 10.388 -1.786
243 HA SER 36 HA SER 36 4.251 11.046 -4.195
244 HB2 SER 36 1HB SER 36 3.439 13.007 -2.037
245 HB3 SER 36 2HB SER 36 3.599 13.409 -3.746
246 HG SER 36 HG SER 36 2.034 11.210 -3.276
247 H GLY 37 H GLY 37 6.024 11.942 -5.091
248 HA2 GLY 37 1HA GLY 37 8.088 12.952 -5.268
249 HA3 GLY 37 2HA GLY 37 7.867 13.572 -3.639
250 H LYS 38 H LYS 38 10.152 13.125 -3.375
251 HA LYS 38 HA LYS 38 11.984 11.796 -2.928
252 HB2 LYS 38 1HB LYS 38 11.587 10.361 -0.955
253 HB3 LYS 38 2HB LYS 38 10.876 11.960 -0.777
254 HG2 LYS 38 1HG LYS 38 8.683 11.019 -1.404
255 HG3 LYS 38 2HG LYS 38 9.420 9.417 -1.473
256 HD2 LYS 38 1HD LYS 38 8.491 9.482 0.659
257 HD3 LYS 38 2HD LYS 38 10.180 9.909 0.945
258 HE2 LYS 38 1HE LYS 38 9.371 12.345 0.695
259 HE3 LYS 38 2HE LYS 38 7.758 11.678 0.942
260 HZ1 LYS 38 3HZ LYS 38 9.715 10.784 2.862
261 HZ2 LYS 38 1HZ LYS 38 8.142 11.358 3.105
262 HZ3 LYS 38 2HZ LYS 38 9.420 12.449 2.911
263 H LYS 39 H LYS 39 10.919 10.937 -5.307
264 HA LYS 39 HA LYS 39 10.149 8.285 -5.523
265 HB2 LYS 39 1HB LYS 39 11.588 10.183 -7.326
266 HB3 LYS 39 2HB LYS 39 11.506 8.487 -7.785
267 HG2 LYS 39 1HG LYS 39 9.657 9.321 -8.842
268 HG3 LYS 39 2HG LYS 39 8.954 8.785 -7.314
269 HD2 LYS 39 1HD LYS 39 8.081 10.946 -7.713
270 HD3 LYS 39 2HD LYS 39 9.319 11.144 -6.471
271 HE2 LYS 39 1HE LYS 39 10.865 12.036 -8.024
272 HE3 LYS 39 2HE LYS 39 9.880 11.541 -9.399
273 HZ1 LYS 39 3HZ LYS 39 9.572 13.854 -9.110
274 HZ2 LYS 39 1HZ LYS 39 9.299 13.696 -7.448
275 HZ3 LYS 39 2HZ LYS 39 8.156 13.117 -8.551
276 HA PRO 40 HA PRO 40 13.846 6.337 -3.916
277 HB2 PRO 40 1HB PRO 40 12.854 3.812 -4.012
278 HB3 PRO 40 2HB PRO 40 12.438 4.959 -2.734
279 HG2 PRO 40 1HG PRO 40 10.893 4.215 -5.188
280 HG3 PRO 40 2HG PRO 40 10.313 4.450 -3.529
281 HD2 PRO 40 1HD PRO 40 10.045 6.342 -5.448
282 HD3 PRO 40 2HD PRO 40 10.273 6.745 -3.734
283 H SER 41 H SER 41 15.394 4.785 -4.702
284 HA SER 41 HA SER 41 16.066 5.021 -7.361
285 HB2 SER 41 1HB SER 41 16.807 3.017 -5.253
286 HB3 SER 41 2HB SER 41 17.395 2.819 -6.903
287 HG SER 41 HG SER 41 18.654 4.519 -6.677
288 H GLY 42 H GLY 42 14.770 4.506 -9.013
289 HA2 GLY 42 1HA GLY 42 14.102 2.772 -10.535
290 HA3 GLY 42 2HA GLY 42 13.799 1.730 -9.153
291 HA PRO 43 HA PRO 43 10.139 4.913 -9.509
292 HB2 PRO 43 1HB PRO 43 9.864 6.057 -11.956
293 HB3 PRO 43 2HB PRO 43 10.805 6.792 -10.652
294 HG2 PRO 43 1HG PRO 43 11.748 5.190 -12.999
295 HG3 PRO 43 2HG PRO 43 12.432 6.674 -12.309
296 HD2 PRO 43 1HD PRO 43 13.464 4.223 -11.803
297 HD3 PRO 43 2HD PRO 43 13.508 5.542 -10.615
298 H SER 44 H SER 44 11.125 2.343 -11.316
299 HA SER 44 HA SER 44 9.021 1.914 -13.125
300 HB2 SER 44 1HB SER 44 10.724 -0.125 -11.671
301 HB3 SER 44 2HB SER 44 9.727 -0.452 -13.088
302 HG SER 44 HG SER 44 11.593 -0.009 -14.024
303 H SER 45 H SER 45 6.954 2.017 -12.497
304 HA SER 45 HA SER 45 5.835 -0.020 -10.881
305 HB2 SER 45 1HB SER 45 6.715 1.282 -9.025
306 HB3 SER 45 2HB SER 45 5.962 2.747 -9.657
307 HG SER 45 HG SER 45 4.371 2.159 -8.408
308 H GLY 46 H GLY 46 3.606 -0.131 -11.081
309 HA2 GLY 46 1HA GLY 46 2.495 1.624 -13.140
310 HA3 GLY 46 2HA GLY 46 1.812 0.098 -12.597
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -1.310 -4.769 19.726
2 HA2 GLY 1 1HA GLY 1 -0.542 -3.039 21.487
3 HA3 GLY 1 2HA GLY 1 0.771 -2.786 20.347
4 H SER 2 H SER 2 -0.572 -2.908 17.938
5 HA SER 2 HA SER 2 -2.271 -0.511 18.119
6 HB2 SER 2 1HB SER 2 -1.572 0.007 15.839
7 HB3 SER 2 2HB SER 2 -0.155 -0.225 16.863
8 HG SER 2 HG SER 2 -0.202 -1.314 14.723
9 H SER 3 H SER 3 -1.893 -3.604 16.430
10 HA SER 3 HA SER 3 -4.454 -3.402 15.139
11 HB2 SER 3 1HB SER 3 -2.413 -4.670 14.262
12 HB3 SER 3 2HB SER 3 -2.813 -5.917 15.442
13 HG SER 3 HG SER 3 -4.669 -4.946 13.537
14 H GLY 4 H GLY 4 -6.357 -4.382 15.682
15 HA2 GLY 4 1HA GLY 4 -6.463 -5.521 18.398
16 HA3 GLY 4 2HA GLY 4 -7.802 -4.730 17.580
17 H SER 5 H SER 5 -7.083 -7.556 18.744
18 HA SER 5 HA SER 5 -7.546 -9.279 16.483
19 HB2 SER 5 1HB SER 5 -6.185 -9.905 18.529
20 HB3 SER 5 2HB SER 5 -7.709 -10.027 19.407
21 HG SER 5 HG SER 5 -7.928 -11.391 17.129
22 H SER 6 H SER 6 -9.568 -7.450 16.551
23 HA SER 6 HA SER 6 -11.874 -9.090 17.368
24 HB2 SER 6 1HB SER 6 -11.532 -6.095 17.575
25 HB3 SER 6 2HB SER 6 -13.100 -6.894 17.695
26 HG SER 6 HG SER 6 -11.344 -8.116 19.307
27 H GLY 7 H GLY 7 -11.092 -9.653 14.969
28 HA2 GLY 7 1HA GLY 7 -12.401 -9.865 12.978
29 HA3 GLY 7 2HA GLY 7 -12.991 -8.229 13.233
30 H THR 8 H THR 8 -11.485 -9.749 11.009
31 HA THR 8 HA THR 8 -9.017 -8.289 10.752
32 HB THR 8 HB THR 8 -10.425 -9.900 8.619
33 HG1 THR 8 HG1 THR 8 -9.743 -11.648 9.607
34 HG21 THR 8 3HG2 THR 8 -7.993 -8.388 8.685
35 HG22 THR 8 1HG2 THR 8 -8.700 -9.293 7.347
36 HG23 THR 8 2HG2 THR 8 -7.614 -10.098 8.480
37 H GLY 9 H GLY 9 -12.127 -8.304 9.005
38 HA2 GLY 9 1HA GLY 9 -13.228 -6.584 7.936
39 HA3 GLY 9 2HA GLY 9 -12.054 -5.473 8.627
40 H GLU 10 H GLU 10 -12.400 -7.925 6.077
41 HA GLU 10 HA GLU 10 -10.134 -7.238 4.600
42 HB2 GLU 10 1HB GLU 10 -11.131 -8.430 2.764
43 HB3 GLU 10 2HB GLU 10 -11.515 -9.280 4.254
44 HG2 GLU 10 1HG GLU 10 -13.342 -7.483 2.680
45 HG3 GLU 10 2HG GLU 10 -13.447 -9.236 2.833
46 H LYS 11 H LYS 11 -9.622 -5.478 3.492
47 HA LYS 11 HA LYS 11 -11.755 -3.587 2.785
48 HB2 LYS 11 1HB LYS 11 -8.830 -3.278 3.371
49 HB3 LYS 11 2HB LYS 11 -9.669 -2.057 2.423
50 HG2 LYS 11 1HG LYS 11 -10.936 -1.351 4.195
51 HG3 LYS 11 2HG LYS 11 -10.840 -2.906 5.024
52 HD2 LYS 11 1HD LYS 11 -8.663 -2.483 5.796
53 HD3 LYS 11 2HD LYS 11 -8.420 -1.166 4.646
54 HE2 LYS 11 1HE LYS 11 -9.668 0.322 5.884
55 HE3 LYS 11 2HE LYS 11 -10.601 -0.951 6.669
56 HZ1 LYS 11 3HZ LYS 11 -7.776 -0.229 7.226
57 HZ2 LYS 11 1HZ LYS 11 -8.578 -1.552 7.911
58 HZ3 LYS 11 2HZ LYS 11 -9.103 0.020 8.245
59 HA PRO 12 HA PRO 12 -11.214 -4.719 -1.465
60 HB2 PRO 12 1HB PRO 12 -12.703 -2.714 -2.528
61 HB3 PRO 12 2HB PRO 12 -13.417 -4.123 -1.734
62 HG2 PRO 12 1HG PRO 12 -12.942 -1.374 -0.647
63 HG3 PRO 12 2HG PRO 12 -14.362 -2.420 -0.464
64 HD2 PRO 12 1HD PRO 12 -12.487 -2.158 1.471
65 HD3 PRO 12 2HD PRO 12 -13.385 -3.667 1.209
66 H TYR 13 H TYR 13 -9.853 -2.120 0.097
67 HA TYR 13 HA TYR 13 -8.457 -1.264 -2.352
68 HB2 TYR 13 1HB TYR 13 -9.142 0.448 0.046
69 HB3 TYR 13 2HB TYR 13 -8.228 0.975 -1.362
70 HD1 TYR 13 HD2 TYR 13 -9.395 0.999 -3.613
71 HD2 TYR 13 HD1 TYR 13 -11.493 0.520 0.057
72 HE1 TYR 13 HE2 TYR 13 -11.486 1.652 -4.730
73 HE2 TYR 13 HE1 TYR 13 -13.591 1.171 -1.050
74 HH TYR 13 HH TYR 13 -13.837 2.763 -3.733
75 H GLU 14 H GLU 14 -6.251 -1.001 -2.240
76 HA GLU 14 HA GLU 14 -4.872 -1.274 0.293
77 HB2 GLU 14 1HB GLU 14 -5.252 -3.608 -0.311
78 HB3 GLU 14 2HB GLU 14 -4.549 -3.330 -1.899
79 HG2 GLU 14 1HG GLU 14 -2.436 -2.638 -0.629
80 HG3 GLU 14 2HG GLU 14 -3.188 -3.411 0.765
81 H CYS 15 H CYS 15 -3.055 -0.106 0.294
82 HA CYS 15 HA CYS 15 -2.347 1.508 -1.895
83 HB2 CYS 15 1HB CYS 15 -1.849 1.702 0.702
84 HB3 CYS 15 2HB CYS 15 -0.342 0.920 0.238
85 H SER 16 H SER 16 -1.210 1.068 -3.656
86 HA SER 16 HA SER 16 0.160 -1.469 -3.899
87 HB2 SER 16 1HB SER 16 -1.288 -0.415 -5.712
88 HB3 SER 16 2HB SER 16 0.035 0.721 -5.975
89 HG SER 16 HG SER 16 0.186 -1.075 -7.370
90 H VAL 17 H VAL 17 1.249 0.565 -2.087
91 HA VAL 17 HA VAL 17 3.918 0.815 -3.307
92 HB VAL 17 HB VAL 17 2.573 2.840 -1.512
93 HG11 VAL 17 1HG1 VAL 17 5.374 2.716 -2.615
94 HG12 VAL 17 2HG1 VAL 17 4.652 4.171 -1.927
95 HG13 VAL 17 3HG1 VAL 17 4.884 2.740 -0.922
96 HG21 VAL 17 3HG2 VAL 17 1.704 3.305 -3.587
97 HG22 VAL 17 1HG2 VAL 17 3.179 4.271 -3.627
98 HG23 VAL 17 2HG2 VAL 17 3.127 2.706 -4.439
99 H CYS 18 H CYS 18 2.555 1.483 -0.086
100 HA CYS 18 HA CYS 18 4.768 0.073 1.147
101 HB2 CYS 18 1HB CYS 18 3.712 0.855 3.280
102 HB3 CYS 18 2HB CYS 18 4.128 2.154 2.166
103 H GLY 19 H GLY 19 1.349 -0.380 0.566
104 HA2 GLY 19 1HA GLY 19 0.450 -2.603 0.424
105 HA3 GLY 19 2HA GLY 19 1.604 -3.106 1.650
106 H LYS 20 H LYS 20 -0.353 -0.196 1.837
107 HA LYS 20 HA LYS 20 -1.484 -1.153 4.340
108 HB2 LYS 20 1HB LYS 20 -0.524 1.237 3.782
109 HB3 LYS 20 2HB LYS 20 -2.144 1.514 3.158
110 HG2 LYS 20 1HG LYS 20 -3.126 1.172 5.273
111 HG3 LYS 20 2HG LYS 20 -1.640 0.488 5.935
112 HD2 LYS 20 1HD LYS 20 -1.547 3.259 4.861
113 HD3 LYS 20 2HD LYS 20 -2.360 2.996 6.405
114 HE2 LYS 20 1HE LYS 20 -0.183 1.635 6.953
115 HE3 LYS 20 2HE LYS 20 0.510 2.633 5.676
116 HZ1 LYS 20 3HZ LYS 20 -0.020 3.323 8.353
117 HZ2 LYS 20 1HZ LYS 20 -0.942 4.319 7.343
118 HZ3 LYS 20 2HZ LYS 20 0.737 4.246 7.154
119 H ALA 21 H ALA 21 -3.851 -0.513 4.737
120 HA ALA 21 HA ALA 21 -5.478 -1.070 2.349
121 HB1 ALA 21 3HB ALA 21 -6.711 -2.198 4.673
122 HB2 ALA 21 1HB ALA 21 -6.225 -2.988 3.173
123 HB3 ALA 21 2HB ALA 21 -5.074 -2.833 4.501
124 H PHE 22 H PHE 22 -7.656 -0.304 2.442
125 HA PHE 22 HA PHE 22 -8.388 1.461 4.631
126 HB2 PHE 22 1HB PHE 22 -8.265 2.520 1.803
127 HB3 PHE 22 2HB PHE 22 -8.713 3.413 3.252
128 HD1 PHE 22 HD1 PHE 22 -5.888 1.612 1.657
129 HD2 PHE 22 HD2 PHE 22 -7.102 4.558 4.478
130 HE1 PHE 22 HE1 PHE 22 -3.541 2.286 1.958
131 HE2 PHE 22 HE2 PHE 22 -4.758 5.237 4.783
132 HZ PHE 22 HZ PHE 22 -2.973 4.102 3.522
133 H SER 23 H SER 23 -10.611 2.033 4.644
134 HA SER 23 HA SER 23 -12.303 0.016 3.529
135 HB2 SER 23 1HB SER 23 -12.988 0.753 5.648
136 HB3 SER 23 2HB SER 23 -12.773 2.453 5.229
137 HG SER 23 HG SER 23 -14.944 2.062 5.174
138 H HIS 24 H HIS 24 -11.991 3.524 3.036
139 HA HIS 24 HA HIS 24 -13.528 3.231 0.541
140 HB2 HIS 24 1HB HIS 24 -13.722 5.812 0.816
141 HB3 HIS 24 2HB HIS 24 -14.733 4.766 1.811
142 HD1 HIS 24 HD1 HIS 24 -12.846 7.690 2.139
143 HD2 HIS 24 HD2 HIS 24 -13.139 4.225 4.411
144 HE1 HIS 24 HE1 HIS 24 -12.012 8.315 4.427
145 H ARG 25 H ARG 25 -12.553 3.640 -1.343
146 HA ARG 25 HA ARG 25 -9.875 3.754 -1.741
147 HB2 ARG 25 1HB ARG 25 -11.934 3.695 -3.414
148 HB3 ARG 25 2HB ARG 25 -11.546 5.402 -3.581
149 HG2 ARG 25 1HG ARG 25 -9.391 3.356 -3.863
150 HG3 ARG 25 2HG ARG 25 -10.499 3.669 -5.201
151 HD2 ARG 25 1HD ARG 25 -9.044 5.891 -3.803
152 HD3 ARG 25 2HD ARG 25 -8.301 4.987 -5.122
153 HE ARG 25 HE ARG 25 -10.914 6.092 -5.692
154 HH11 ARG 25 1HH1 ARG 25 -7.464 6.533 -5.837
155 HH12 ARG 25 2HH1 ARG 25 -7.537 7.709 -7.107
156 HH21 ARG 25 1HH2 ARG 25 -11.023 7.639 -7.365
157 HH22 ARG 25 2HH2 ARG 25 -9.562 8.339 -7.975
158 H GLN 26 H GLN 26 -12.021 6.570 -1.437
159 HA GLN 26 HA GLN 26 -10.286 8.626 -1.898
160 HB2 GLN 26 1HB GLN 26 -12.651 8.972 -1.404
161 HB3 GLN 26 2HB GLN 26 -12.393 8.480 0.264
162 HG2 GLN 26 1HG GLN 26 -12.503 10.823 0.291
163 HG3 GLN 26 2HG GLN 26 -10.796 10.420 0.462
164 HE21 GLN 26 1HE2 GLN 26 -13.132 10.954 -2.160
165 HE22 GLN 26 2HE2 GLN 26 -12.097 11.964 -3.105
166 H SER 27 H SER 27 -10.696 6.854 1.149
167 HA SER 27 HA SER 27 -8.944 8.327 2.728
168 HB2 SER 27 1HB SER 27 -10.533 6.237 3.228
169 HB3 SER 27 2HB SER 27 -9.002 5.372 3.099
170 HG SER 27 HG SER 27 -8.291 6.327 4.871
171 H LEU 28 H LEU 28 -8.291 5.529 0.647
172 HA LEU 28 HA LEU 28 -5.566 5.258 1.260
173 HB2 LEU 28 1HB LEU 28 -6.567 3.459 0.154
174 HB3 LEU 28 2HB LEU 28 -7.240 4.492 -1.105
175 HG LEU 28 HG LEU 28 -4.969 4.815 -2.014
176 HD11 LEU 28 1HD1 LEU 28 -3.185 3.270 -1.223
177 HD12 LEU 28 2HD1 LEU 28 -4.210 2.866 0.153
178 HD13 LEU 28 3HD1 LEU 28 -3.627 4.517 -0.057
179 HD21 LEU 28 3HD2 LEU 28 -6.501 2.368 -1.988
180 HD22 LEU 28 1HD2 LEU 28 -4.787 2.049 -2.260
181 HD23 LEU 28 2HD2 LEU 28 -5.658 3.156 -3.323
182 H SER 29 H SER 29 -7.092 6.851 -1.544
183 HA SER 29 HA SER 29 -4.944 7.821 -2.872
184 HB2 SER 29 1HB SER 29 -7.547 9.241 -2.281
185 HB3 SER 29 2HB SER 29 -6.363 9.829 -3.448
186 HG SER 29 HG SER 29 -7.167 7.174 -3.679
187 H VAL 30 H VAL 30 -6.548 9.584 -0.217
188 HA VAL 30 HA VAL 30 -4.785 11.710 -0.026
189 HB VAL 30 HB VAL 30 -6.276 10.358 2.228
190 HG11 VAL 30 1HG1 VAL 30 -4.312 12.005 2.718
191 HG12 VAL 30 2HG1 VAL 30 -5.479 13.235 2.228
192 HG13 VAL 30 3HG1 VAL 30 -5.838 12.168 3.586
193 HG21 VAL 30 3HG2 VAL 30 -8.141 11.408 1.566
194 HG22 VAL 30 1HG2 VAL 30 -7.276 12.894 1.176
195 HG23 VAL 30 2HG2 VAL 30 -7.326 11.571 0.011
196 H HIS 31 H HIS 31 -4.582 8.505 1.452
197 HA HIS 31 HA HIS 31 -2.306 9.025 3.046
198 HB2 HIS 31 1HB HIS 31 -3.360 7.109 3.747
199 HB3 HIS 31 2HB HIS 31 -3.744 6.591 2.109
200 HD1 HIS 31 HD1 HIS 31 -0.911 6.606 4.594
201 HD2 HIS 31 HD2 HIS 31 -1.934 4.851 0.970
202 HE1 HIS 31 HE1 HIS 31 0.830 4.837 4.188
203 H GLN 32 H GLN 32 -2.579 7.233 -0.030
204 HA GLN 32 HA GLN 32 -0.039 6.620 -0.611
205 HB2 GLN 32 1HB GLN 32 -2.251 7.645 -2.330
206 HB3 GLN 32 2HB GLN 32 -0.656 7.463 -3.047
207 HG2 GLN 32 1HG GLN 32 -0.626 5.134 -2.600
208 HG3 GLN 32 2HG GLN 32 -2.065 5.248 -1.588
209 HE21 GLN 32 1HE2 GLN 32 -1.056 4.153 -4.428
210 HE22 GLN 32 2HE2 GLN 32 -2.486 4.339 -5.379
211 H ARG 33 H ARG 33 -1.353 9.856 -0.537
212 HA ARG 33 HA ARG 33 0.485 11.335 -1.914
213 HB2 ARG 33 1HB ARG 33 -0.794 11.985 0.746
214 HB3 ARG 33 2HB ARG 33 0.054 13.155 -0.256
215 HG2 ARG 33 1HG ARG 33 -1.639 12.366 -2.086
216 HG3 ARG 33 2HG ARG 33 -2.583 11.844 -0.689
217 HD2 ARG 33 1HD ARG 33 -1.517 14.628 -1.145
218 HD3 ARG 33 2HD ARG 33 -3.180 14.113 -1.423
219 HE ARG 33 HE ARG 33 -2.852 13.463 1.142
220 HH11 ARG 33 1HH1 ARG 33 -2.047 16.367 -0.600
221 HH12 ARG 33 2HH1 ARG 33 -2.261 17.405 0.770
222 HH21 ARG 33 1HH2 ARG 33 -3.137 14.819 2.954
223 HH22 ARG 33 2HH2 ARG 33 -2.880 16.523 2.792
224 H ILE 34 H ILE 34 0.788 10.182 1.433
225 HA ILE 34 HA ILE 34 3.106 11.332 2.249
226 HB ILE 34 HB ILE 34 3.529 9.434 3.659
227 HG12 ILE 34 1HG1 ILE 34 1.590 7.913 1.903
228 HG13 ILE 34 2HG1 ILE 34 3.335 7.685 1.932
229 HG21 ILE 34 1HG2 ILE 34 1.795 10.303 4.767
230 HG22 ILE 34 2HG2 ILE 34 0.844 10.502 3.296
231 HG23 ILE 34 3HG2 ILE 34 0.868 8.947 4.126
232 HD11 ILE 34 3HD1 ILE 34 2.513 5.951 3.234
233 HD12 ILE 34 1HD1 ILE 34 3.023 7.154 4.418
234 HD13 ILE 34 2HD1 ILE 34 1.313 6.979 4.018
235 H HIS 35 H HIS 35 2.745 8.887 -0.206
236 HA HIS 35 HA HIS 35 5.583 8.338 -0.357
237 HB2 HIS 35 1HB HIS 35 3.489 7.513 -2.365
238 HB3 HIS 35 2HB HIS 35 5.042 6.748 -2.037
239 HD1 HIS 35 HD1 HIS 35 5.017 6.170 0.859
240 HD2 HIS 35 HD2 HIS 35 1.586 5.835 -1.459
241 HE1 HIS 35 HE1 HIS 35 3.502 4.610 2.122
242 H SER 36 H SER 36 4.653 11.084 -0.775
243 HA SER 36 HA SER 36 5.363 11.488 -3.600
244 HB2 SER 36 1HB SER 36 3.831 13.163 -1.623
245 HB3 SER 36 2HB SER 36 4.515 13.876 -3.083
246 HG SER 36 HG SER 36 2.267 12.451 -2.811
247 H GLY 37 H GLY 37 5.962 12.894 -0.377
248 HA2 GLY 37 1HA GLY 37 8.746 13.351 -1.165
249 HA3 GLY 37 2HA GLY 37 7.805 14.742 -0.649
250 H LYS 38 H LYS 38 9.660 12.060 0.339
251 HA LYS 38 HA LYS 38 8.790 12.283 3.123
252 HB2 LYS 38 1HB LYS 38 10.296 10.267 1.537
253 HB3 LYS 38 2HB LYS 38 10.683 10.400 3.248
254 HG2 LYS 38 1HG LYS 38 7.876 10.034 2.242
255 HG3 LYS 38 2HG LYS 38 8.947 8.683 2.622
256 HD2 LYS 38 1HD LYS 38 8.417 10.870 4.609
257 HD3 LYS 38 2HD LYS 38 7.325 9.493 4.444
258 HE2 LYS 38 1HE LYS 38 9.365 8.021 4.754
259 HE3 LYS 38 2HE LYS 38 10.231 9.481 5.228
260 HZ1 LYS 38 3HZ LYS 38 9.145 9.598 7.188
261 HZ2 LYS 38 1HZ LYS 38 8.976 7.930 6.959
262 HZ3 LYS 38 2HZ LYS 38 7.699 8.971 6.574
263 H LYS 39 H LYS 39 11.750 12.514 1.172
264 HA LYS 39 HA LYS 39 13.676 13.688 1.473
265 HB2 LYS 39 1HB LYS 39 12.075 15.551 1.973
266 HB3 LYS 39 2HB LYS 39 12.203 15.138 3.678
267 HG2 LYS 39 1HG LYS 39 14.499 15.743 3.739
268 HG3 LYS 39 2HG LYS 39 14.568 15.893 1.981
269 HD2 LYS 39 1HD LYS 39 13.144 17.818 2.025
270 HD3 LYS 39 2HD LYS 39 12.819 17.601 3.747
271 HE2 LYS 39 1HE LYS 39 15.631 17.958 2.805
272 HE3 LYS 39 2HE LYS 39 14.575 19.363 2.944
273 HZ1 LYS 39 3HZ LYS 39 14.706 17.526 5.215
274 HZ2 LYS 39 1HZ LYS 39 14.504 19.205 5.195
275 HZ3 LYS 39 2HZ LYS 39 16.037 18.535 4.947
276 HA PRO 40 HA PRO 40 14.372 11.008 5.304
277 HB2 PRO 40 1HB PRO 40 15.633 8.962 4.041
278 HB3 PRO 40 2HB PRO 40 13.882 9.013 4.276
279 HG2 PRO 40 1HG PRO 40 15.489 9.717 1.851
280 HG3 PRO 40 2HG PRO 40 13.975 8.801 1.962
281 HD2 PRO 40 1HD PRO 40 14.050 11.409 1.238
282 HD3 PRO 40 2HD PRO 40 12.689 10.706 2.134
283 H SER 41 H SER 41 16.305 10.942 6.395
284 HA SER 41 HA SER 41 18.636 12.038 4.964
285 HB2 SER 41 1HB SER 41 19.364 12.888 7.209
286 HB3 SER 41 2HB SER 41 17.865 13.609 6.625
287 HG SER 41 HG SER 41 16.843 12.762 8.254
288 H GLY 42 H GLY 42 20.764 11.390 5.867
289 HA2 GLY 42 1HA GLY 42 21.379 9.415 7.605
290 HA3 GLY 42 2HA GLY 42 20.819 8.518 6.201
291 HA PRO 43 HA PRO 43 25.389 9.825 5.891
292 HB2 PRO 43 1HB PRO 43 26.527 7.420 6.431
293 HB3 PRO 43 2HB PRO 43 26.185 8.623 7.680
294 HG2 PRO 43 1HG PRO 43 24.617 6.191 6.912
295 HG3 PRO 43 2HG PRO 43 25.003 6.810 8.529
296 HD2 PRO 43 1HD PRO 43 22.596 7.206 7.353
297 HD3 PRO 43 2HD PRO 43 23.321 8.385 8.464
298 H SER 44 H SER 44 26.972 8.885 4.339
299 HA SER 44 HA SER 44 25.550 7.823 2.036
300 HB2 SER 44 1HB SER 44 28.414 8.771 2.303
301 HB3 SER 44 2HB SER 44 27.608 8.348 0.792
302 HG SER 44 HG SER 44 26.007 10.051 1.750
303 H SER 45 H SER 45 26.761 6.180 0.669
304 HA SER 45 HA SER 45 27.226 3.854 2.292
305 HB2 SER 45 1HB SER 45 27.111 4.371 -0.668
306 HB3 SER 45 2HB SER 45 27.687 2.824 -0.047
307 HG SER 45 HG SER 45 25.369 3.641 1.137
308 H GLY 46 H GLY 46 29.123 4.046 3.413
309 HA2 GLY 46 1HA GLY 46 31.488 3.168 2.418
310 HA3 GLY 46 2HA GLY 46 31.556 4.897 2.115
Start of MODEL 19
1 H1 GLY 1 H GLY 1 8.142 -10.162 19.866
2 HA2 GLY 1 1HA GLY 1 7.539 -12.900 19.536
3 HA3 GLY 1 2HA GLY 1 6.339 -12.171 20.593
4 H SER 2 H SER 2 5.236 -13.134 18.472
5 HA SER 2 HA SER 2 5.001 -10.929 16.533
6 HB2 SER 2 1HB SER 2 4.248 -13.832 16.123
7 HB3 SER 2 2HB SER 2 4.254 -12.561 14.901
8 HG SER 2 HG SER 2 6.465 -12.484 15.000
9 H SER 3 H SER 3 3.501 -9.781 17.817
10 HA SER 3 HA SER 3 0.940 -11.080 18.364
11 HB2 SER 3 1HB SER 3 0.419 -8.995 19.614
12 HB3 SER 3 2HB SER 3 1.889 -9.781 20.189
13 HG SER 3 HG SER 3 3.100 -8.266 19.053
14 H GLY 4 H GLY 4 -0.869 -10.701 17.230
15 HA2 GLY 4 1HA GLY 4 -0.789 -8.530 15.225
16 HA3 GLY 4 2HA GLY 4 -1.452 -10.118 14.867
17 H SER 5 H SER 5 -2.949 -7.853 14.448
18 HA SER 5 HA SER 5 -4.683 -7.412 16.719
19 HB2 SER 5 1HB SER 5 -5.856 -5.846 15.286
20 HB3 SER 5 2HB SER 5 -4.121 -5.595 15.103
21 HG SER 5 HG SER 5 -4.271 -6.938 13.201
22 H SER 6 H SER 6 -6.943 -7.854 16.736
23 HA SER 6 HA SER 6 -7.586 -10.367 15.407
24 HB2 SER 6 1HB SER 6 -8.077 -10.436 17.719
25 HB3 SER 6 2HB SER 6 -8.833 -8.843 17.690
26 HG SER 6 HG SER 6 -9.825 -11.263 16.601
27 H GLY 7 H GLY 7 -8.638 -10.360 13.541
28 HA2 GLY 7 1HA GLY 7 -11.075 -9.104 13.072
29 HA3 GLY 7 2HA GLY 7 -9.830 -8.042 12.431
30 H THR 8 H THR 8 -11.482 -11.078 12.073
31 HA THR 8 HA THR 8 -9.891 -12.052 9.909
32 HB THR 8 HB THR 8 -11.150 -13.641 11.216
33 HG1 THR 8 HG1 THR 8 -10.982 -14.401 9.172
34 HG21 THR 8 3HG2 THR 8 -13.210 -11.700 11.039
35 HG22 THR 8 1HG2 THR 8 -13.201 -13.200 11.965
36 HG23 THR 8 2HG2 THR 8 -13.816 -13.188 10.312
37 H GLY 9 H GLY 9 -9.839 -11.212 7.935
38 HA2 GLY 9 1HA GLY 9 -11.478 -10.990 5.968
39 HA3 GLY 9 2HA GLY 9 -12.200 -9.740 6.969
40 H GLU 10 H GLU 10 -11.526 -8.853 4.620
41 HA GLU 10 HA GLU 10 -9.349 -7.041 5.164
42 HB2 GLU 10 1HB GLU 10 -8.024 -7.568 3.221
43 HB3 GLU 10 2HB GLU 10 -8.203 -9.021 4.194
44 HG2 GLU 10 1HG GLU 10 -9.776 -9.947 2.689
45 HG3 GLU 10 2HG GLU 10 -9.946 -8.420 1.824
46 H LYS 11 H LYS 11 -9.188 -5.326 3.545
47 HA LYS 11 HA LYS 11 -11.805 -4.818 2.319
48 HB2 LYS 11 1HB LYS 11 -9.567 -2.991 3.179
49 HB3 LYS 11 2HB LYS 11 -10.909 -2.433 2.189
50 HG2 LYS 11 1HG LYS 11 -11.273 -3.744 4.869
51 HG3 LYS 11 2HG LYS 11 -11.122 -2.000 4.648
52 HD2 LYS 11 1HD LYS 11 -13.104 -1.935 3.303
53 HD3 LYS 11 2HD LYS 11 -13.199 -3.697 3.270
54 HE2 LYS 11 1HE LYS 11 -13.307 -2.137 5.836
55 HE3 LYS 11 2HE LYS 11 -14.751 -2.463 4.879
56 HZ1 LYS 11 3HZ LYS 11 -12.921 -4.563 5.904
57 HZ2 LYS 11 1HZ LYS 11 -14.405 -4.801 5.128
58 HZ3 LYS 11 2HZ LYS 11 -14.358 -4.098 6.665
59 HA PRO 12 HA PRO 12 -10.270 -5.119 -1.784
60 HB2 PRO 12 1HB PRO 12 -11.778 -3.246 -3.043
61 HB3 PRO 12 2HB PRO 12 -12.433 -4.791 -2.487
62 HG2 PRO 12 1HG PRO 12 -12.582 -2.095 -1.194
63 HG3 PRO 12 2HG PRO 12 -13.849 -3.324 -1.368
64 HD2 PRO 12 1HD PRO 12 -12.465 -2.973 0.933
65 HD3 PRO 12 2HD PRO 12 -13.069 -4.560 0.414
66 H TYR 13 H TYR 13 -10.244 -2.013 -0.183
67 HA TYR 13 HA TYR 13 -8.477 -0.834 -2.165
68 HB2 TYR 13 1HB TYR 13 -9.176 0.420 0.475
69 HB3 TYR 13 2HB TYR 13 -8.780 1.206 -1.050
70 HD1 TYR 13 HD1 TYR 13 -11.407 -0.637 0.777
71 HD2 TYR 13 HD2 TYR 13 -10.466 1.679 -2.666
72 HE1 TYR 13 HE1 TYR 13 -13.805 -0.420 0.275
73 HE2 TYR 13 HE2 TYR 13 -12.861 1.903 -3.177
74 HH TYR 13 HH TYR 13 -15.188 0.011 -1.948
75 H GLU 14 H GLU 14 -6.483 -1.711 -2.104
76 HA GLU 14 HA GLU 14 -5.025 -1.521 0.442
77 HB2 GLU 14 1HB GLU 14 -5.580 -3.874 0.067
78 HB3 GLU 14 2HB GLU 14 -4.862 -3.802 -1.536
79 HG2 GLU 14 1HG GLU 14 -2.677 -3.342 -0.527
80 HG3 GLU 14 2HG GLU 14 -3.405 -3.452 1.075
81 H CYS 15 H CYS 15 -3.306 -0.258 0.267
82 HA CYS 15 HA CYS 15 -2.459 0.875 -2.165
83 HB2 CYS 15 1HB CYS 15 -2.140 1.623 0.358
84 HB3 CYS 15 2HB CYS 15 -0.604 0.784 0.172
85 H SER 16 H SER 16 -0.187 0.782 -2.988
86 HA SER 16 HA SER 16 0.845 -1.978 -2.888
87 HB2 SER 16 1HB SER 16 0.786 -0.114 -5.274
88 HB3 SER 16 2HB SER 16 1.505 -1.724 -5.251
89 HG SER 16 HG SER 16 -1.198 -1.320 -4.552
90 H VAL 17 H VAL 17 1.755 1.364 -3.726
91 HA VAL 17 HA VAL 17 4.455 1.217 -3.849
92 HB VAL 17 HB VAL 17 4.530 3.498 -2.769
93 HG11 VAL 17 1HG1 VAL 17 2.481 4.060 -4.646
94 HG12 VAL 17 2HG1 VAL 17 4.229 4.154 -4.868
95 HG13 VAL 17 3HG1 VAL 17 3.373 2.653 -5.225
96 HG21 VAL 17 3HG2 VAL 17 2.822 3.632 -1.238
97 HG22 VAL 17 1HG2 VAL 17 2.093 4.460 -2.614
98 HG23 VAL 17 2HG2 VAL 17 1.679 2.779 -2.274
99 H CYS 18 H CYS 18 2.615 1.618 -0.822
100 HA CYS 18 HA CYS 18 5.019 0.821 0.669
101 HB2 CYS 18 1HB CYS 18 4.032 1.867 2.604
102 HB3 CYS 18 2HB CYS 18 3.949 2.999 1.258
103 H GLY 19 H GLY 19 1.524 0.218 0.452
104 HA2 GLY 19 1HA GLY 19 0.696 -2.048 0.465
105 HA3 GLY 19 2HA GLY 19 2.031 -2.481 1.522
106 H LYS 20 H LYS 20 -0.976 -0.625 1.367
107 HA LYS 20 HA LYS 20 -1.395 -1.233 4.209
108 HB2 LYS 20 1HB LYS 20 -0.634 1.213 3.607
109 HB3 LYS 20 2HB LYS 20 -2.313 1.398 3.117
110 HG2 LYS 20 1HG LYS 20 -3.110 1.108 5.275
111 HG3 LYS 20 2HG LYS 20 -1.631 0.311 5.819
112 HD2 LYS 20 1HD LYS 20 -0.420 2.386 5.743
113 HD3 LYS 20 2HD LYS 20 -1.794 3.211 5.004
114 HE2 LYS 20 1HE LYS 20 -3.111 2.681 7.063
115 HE3 LYS 20 2HE LYS 20 -1.624 2.074 7.790
116 HZ1 LYS 20 3HZ LYS 20 -0.639 4.263 7.517
117 HZ2 LYS 20 1HZ LYS 20 -2.056 4.358 8.437
118 HZ3 LYS 20 2HZ LYS 20 -2.064 4.845 6.817
119 H ALA 21 H ALA 21 -3.777 -0.618 4.792
120 HA ALA 21 HA ALA 21 -5.536 -1.425 2.572
121 HB1 ALA 21 3HB ALA 21 -5.153 -2.680 5.202
122 HB2 ALA 21 1HB ALA 21 -6.832 -2.453 4.712
123 HB3 ALA 21 2HB ALA 21 -5.730 -3.370 3.685
124 H PHE 22 H PHE 22 -7.668 -0.625 2.627
125 HA PHE 22 HA PHE 22 -8.369 1.302 4.692
126 HB2 PHE 22 1HB PHE 22 -8.299 2.094 1.773
127 HB3 PHE 22 2HB PHE 22 -8.802 3.107 3.122
128 HD1 PHE 22 HD1 PHE 22 -5.962 1.611 1.375
129 HD2 PHE 22 HD2 PHE 22 -7.179 4.092 4.613
130 HE1 PHE 22 HE1 PHE 22 -3.648 2.407 1.632
131 HE2 PHE 22 HE2 PHE 22 -4.867 4.892 4.873
132 HZ PHE 22 HZ PHE 22 -3.098 4.050 3.381
133 H SER 23 H SER 23 -10.622 2.090 4.438
134 HA SER 23 HA SER 23 -12.299 -0.084 3.421
135 HB2 SER 23 1HB SER 23 -12.684 2.059 5.487
136 HB3 SER 23 2HB SER 23 -14.086 1.269 4.765
137 HG SER 23 HG SER 23 -12.070 0.189 6.393
138 H HIS 24 H HIS 24 -11.423 3.162 2.768
139 HA HIS 24 HA HIS 24 -13.428 3.260 0.626
140 HB2 HIS 24 1HB HIS 24 -13.776 4.765 2.825
141 HB3 HIS 24 2HB HIS 24 -12.717 5.838 1.915
142 HD1 HIS 24 HD1 HIS 24 -13.721 7.084 -0.044
143 HD2 HIS 24 HD2 HIS 24 -16.293 4.248 1.569
144 HE1 HIS 24 HE1 HIS 24 -15.950 7.500 -1.133
145 H ARG 25 H ARG 25 -12.867 4.898 -1.059
146 HA ARG 25 HA ARG 25 -10.143 4.544 -1.851
147 HB2 ARG 25 1HB ARG 25 -12.584 5.761 -3.033
148 HB3 ARG 25 2HB ARG 25 -11.033 6.306 -3.657
149 HG2 ARG 25 1HG ARG 25 -11.536 3.383 -3.430
150 HG3 ARG 25 2HG ARG 25 -12.298 4.285 -4.741
151 HD2 ARG 25 1HD ARG 25 -9.344 4.237 -4.134
152 HD3 ARG 25 2HD ARG 25 -10.139 3.308 -5.404
153 HE ARG 25 HE ARG 25 -10.590 6.148 -5.563
154 HH11 ARG 25 1HH1 ARG 25 -8.507 3.508 -6.467
155 HH12 ARG 25 2HH1 ARG 25 -7.847 4.329 -7.842
156 HH21 ARG 25 1HH2 ARG 25 -9.728 7.238 -7.371
157 HH22 ARG 25 2HH2 ARG 25 -8.541 6.451 -8.355
158 H GLN 26 H GLN 26 -12.097 7.446 -1.149
159 HA GLN 26 HA GLN 26 -10.334 9.451 -1.421
160 HB2 GLN 26 1HB GLN 26 -12.587 9.826 -0.599
161 HB3 GLN 26 2HB GLN 26 -12.192 9.047 0.928
162 HG2 GLN 26 1HG GLN 26 -10.473 10.853 1.272
163 HG3 GLN 26 2HG GLN 26 -11.181 11.674 -0.118
164 HE21 GLN 26 1HE2 GLN 26 -11.613 13.402 1.379
165 HE22 GLN 26 2HE2 GLN 26 -13.014 13.332 2.388
166 H SER 27 H SER 27 -10.387 7.169 1.277
167 HA SER 27 HA SER 27 -8.337 8.407 2.782
168 HB2 SER 27 1HB SER 27 -9.415 5.586 2.750
169 HB3 SER 27 2HB SER 27 -8.159 6.114 3.870
170 HG SER 27 HG SER 27 -10.342 7.777 3.767
171 H LEU 28 H LEU 28 -8.221 5.441 0.799
172 HA LEU 28 HA LEU 28 -5.504 4.992 0.889
173 HB2 LEU 28 1HB LEU 28 -6.871 3.336 -0.071
174 HB3 LEU 28 2HB LEU 28 -7.539 4.460 -1.252
175 HG LEU 28 HG LEU 28 -5.355 4.509 -2.399
176 HD11 LEU 28 1HD1 LEU 28 -3.666 2.826 -1.810
177 HD12 LEU 28 2HD1 LEU 28 -4.609 2.394 -0.384
178 HD13 LEU 28 3HD1 LEU 28 -3.908 4.006 -0.522
179 HD21 LEU 28 3HD2 LEU 28 -6.459 2.985 -3.598
180 HD22 LEU 28 1HD2 LEU 28 -7.125 2.212 -2.159
181 HD23 LEU 28 2HD2 LEU 28 -5.511 1.779 -2.726
182 H SER 29 H SER 29 -7.285 6.898 -1.534
183 HA SER 29 HA SER 29 -5.148 7.670 -3.117
184 HB2 SER 29 1HB SER 29 -7.599 8.085 -3.566
185 HB3 SER 29 2HB SER 29 -7.503 9.445 -2.446
186 HG SER 29 HG SER 29 -6.390 9.143 -4.992
187 H VAL 30 H VAL 30 -6.660 9.768 -0.658
188 HA VAL 30 HA VAL 30 -4.742 11.733 -0.566
189 HB VAL 30 HB VAL 30 -6.349 10.678 1.765
190 HG11 VAL 30 1HG1 VAL 30 -4.755 12.005 2.783
191 HG12 VAL 30 2HG1 VAL 30 -4.642 13.106 1.408
192 HG13 VAL 30 3HG1 VAL 30 -6.050 13.161 2.471
193 HG21 VAL 30 3HG2 VAL 30 -8.136 11.680 0.892
194 HG22 VAL 30 1HG2 VAL 30 -7.235 13.170 0.613
195 HG23 VAL 30 2HG2 VAL 30 -7.212 11.887 -0.596
196 H HIS 31 H HIS 31 -4.765 8.632 1.118
197 HA HIS 31 HA HIS 31 -2.563 9.069 2.797
198 HB2 HIS 31 1HB HIS 31 -3.663 7.158 3.413
199 HB3 HIS 31 2HB HIS 31 -3.995 6.684 1.750
200 HD1 HIS 31 HD1 HIS 31 -1.118 6.731 4.220
201 HD2 HIS 31 HD2 HIS 31 -2.331 4.763 0.767
202 HE1 HIS 31 HE1 HIS 31 0.556 4.886 3.873
203 H GLN 32 H GLN 32 -2.708 7.516 -0.405
204 HA GLN 32 HA GLN 32 -0.131 6.796 -0.813
205 HB2 GLN 32 1HB GLN 32 -2.109 8.050 -2.699
206 HB3 GLN 32 2HB GLN 32 -0.511 7.564 -3.249
207 HG2 GLN 32 1HG GLN 32 -1.010 5.268 -2.390
208 HG3 GLN 32 2HG GLN 32 -2.664 5.808 -2.103
209 HE21 GLN 32 1HE2 GLN 32 -4.049 5.434 -3.670
210 HE22 GLN 32 2HE2 GLN 32 -3.665 5.200 -5.338
211 H ARG 33 H ARG 33 -1.318 10.014 -0.453
212 HA ARG 33 HA ARG 33 0.656 11.496 -1.742
213 HB2 ARG 33 1HB ARG 33 -0.890 12.125 0.778
214 HB3 ARG 33 2HB ARG 33 0.090 13.293 -0.098
215 HG2 ARG 33 1HG ARG 33 -1.342 12.907 -2.094
216 HG3 ARG 33 2HG ARG 33 -2.376 11.886 -1.092
217 HD2 ARG 33 1HD ARG 33 -3.278 14.144 -1.263
218 HD3 ARG 33 2HD ARG 33 -2.805 13.777 0.395
219 HE ARG 33 HE ARG 33 -0.618 15.004 -0.524
220 HH11 ARG 33 1HH1 ARG 33 -3.990 15.839 -0.753
221 HH12 ARG 33 2HH1 ARG 33 -3.698 17.547 -0.786
222 HH21 ARG 33 1HH2 ARG 33 -0.221 17.249 -0.566
223 HH22 ARG 33 2HH2 ARG 33 -1.555 18.348 -0.680
224 H ILE 34 H ILE 34 0.584 10.211 1.564
225 HA ILE 34 HA ILE 34 2.829 11.308 2.654
226 HB ILE 34 HB ILE 34 3.001 9.446 4.110
227 HG12 ILE 34 1HG1 ILE 34 1.344 7.820 2.174
228 HG13 ILE 34 2HG1 ILE 34 3.101 7.743 2.257
229 HG21 ILE 34 1HG2 ILE 34 0.227 8.909 3.909
230 HG22 ILE 34 2HG2 ILE 34 1.056 10.004 5.015
231 HG23 ILE 34 3HG2 ILE 34 0.486 10.593 3.453
232 HD11 ILE 34 3HD1 ILE 34 2.774 7.149 4.717
233 HD12 ILE 34 1HD1 ILE 34 1.089 6.859 4.288
234 HD13 ILE 34 2HD1 ILE 34 2.370 5.926 3.512
235 H HIS 35 H HIS 35 2.670 9.124 0.000
236 HA HIS 35 HA HIS 35 5.454 8.334 0.183
237 HB2 HIS 35 1HB HIS 35 3.582 7.860 -2.136
238 HB3 HIS 35 2HB HIS 35 5.039 6.962 -1.722
239 HD1 HIS 35 HD1 HIS 35 4.593 6.204 1.140
240 HD2 HIS 35 HD2 HIS 35 1.548 6.143 -1.686
241 HE1 HIS 35 HE1 HIS 35 2.868 4.613 2.044
242 H SER 36 H SER 36 4.654 11.186 -0.155
243 HA SER 36 HA SER 36 5.933 11.741 -2.747
244 HB2 SER 36 1HB SER 36 4.018 13.346 -1.060
245 HB3 SER 36 2HB SER 36 4.969 14.089 -2.346
246 HG SER 36 HG SER 36 3.307 11.829 -2.743
247 H GLY 37 H GLY 37 7.801 12.875 -2.849
248 HA2 GLY 37 1HA GLY 37 8.771 14.575 -0.802
249 HA3 GLY 37 2HA GLY 37 9.519 12.991 -0.661
250 H LYS 38 H LYS 38 9.849 12.269 -3.284
251 HA LYS 38 HA LYS 38 11.960 14.115 -4.090
252 HB2 LYS 38 1HB LYS 38 11.297 11.358 -5.141
253 HB3 LYS 38 2HB LYS 38 12.730 12.299 -5.535
254 HG2 LYS 38 1HG LYS 38 13.713 11.912 -3.506
255 HG3 LYS 38 2HG LYS 38 12.171 11.681 -2.679
256 HD2 LYS 38 1HD LYS 38 11.954 9.562 -4.122
257 HD3 LYS 38 2HD LYS 38 13.682 9.760 -4.422
258 HE2 LYS 38 1HE LYS 38 14.223 9.457 -2.164
259 HE3 LYS 38 2HE LYS 38 12.567 9.751 -1.637
260 HZ1 LYS 38 3HZ LYS 38 12.050 7.617 -1.897
261 HZ2 LYS 38 1HZ LYS 38 13.709 7.313 -2.026
262 HZ3 LYS 38 2HZ LYS 38 12.777 7.522 -3.421
263 H LYS 39 H LYS 39 12.250 14.623 -6.386
264 HA LYS 39 HA LYS 39 9.679 15.266 -7.613
265 HB2 LYS 39 1HB LYS 39 11.421 17.033 -7.280
266 HB3 LYS 39 2HB LYS 39 12.444 16.176 -8.426
267 HG2 LYS 39 1HG LYS 39 11.444 17.875 -9.674
268 HG3 LYS 39 2HG LYS 39 10.520 16.425 -10.078
269 HD2 LYS 39 1HD LYS 39 8.692 17.089 -8.777
270 HD3 LYS 39 2HD LYS 39 9.646 18.271 -7.878
271 HE2 LYS 39 1HE LYS 39 9.243 18.553 -10.833
272 HE3 LYS 39 2HE LYS 39 8.006 19.098 -9.701
273 HZ1 LYS 39 3HZ LYS 39 10.314 20.140 -8.703
274 HZ2 LYS 39 1HZ LYS 39 9.160 20.980 -9.612
275 HZ3 LYS 39 2HZ LYS 39 10.511 20.306 -10.375
276 HA PRO 40 HA PRO 40 10.317 11.759 -10.328
277 HB2 PRO 40 1HB PRO 40 7.923 11.989 -11.587
278 HB3 PRO 40 2HB PRO 40 8.100 11.266 -9.983
279 HG2 PRO 40 1HG PRO 40 7.233 14.033 -10.728
280 HG3 PRO 40 2HG PRO 40 6.558 12.940 -9.505
281 HD2 PRO 40 1HD PRO 40 8.230 14.975 -8.877
282 HD3 PRO 40 2HD PRO 40 8.193 13.453 -7.963
283 H SER 41 H SER 41 8.823 14.763 -11.550
284 HA SER 41 HA SER 41 10.847 15.152 -13.514
285 HB2 SER 41 1HB SER 41 8.255 13.884 -14.336
286 HB3 SER 41 2HB SER 41 9.083 14.980 -15.442
287 HG SER 41 HG SER 41 10.992 13.526 -14.831
288 H GLY 42 H GLY 42 10.110 16.934 -15.117
289 HA2 GLY 42 1HA GLY 42 8.001 18.622 -14.827
290 HA3 GLY 42 2HA GLY 42 9.065 19.086 -13.507
291 HA PRO 43 HA PRO 43 10.213 21.252 -17.546
292 HB2 PRO 43 1HB PRO 43 9.581 23.773 -16.761
293 HB3 PRO 43 2HB PRO 43 8.426 22.697 -17.555
294 HG2 PRO 43 1HG PRO 43 8.744 23.317 -14.644
295 HG3 PRO 43 2HG PRO 43 7.258 23.173 -15.602
296 HD2 PRO 43 1HD PRO 43 8.158 21.183 -14.001
297 HD3 PRO 43 2HD PRO 43 7.270 20.870 -15.506
298 H SER 44 H SER 44 11.171 20.983 -14.412
299 HA SER 44 HA SER 44 12.792 22.926 -13.600
300 HB2 SER 44 1HB SER 44 14.261 21.310 -12.625
301 HB3 SER 44 2HB SER 44 12.657 20.578 -12.659
302 HG SER 44 HG SER 44 14.846 20.076 -14.383
303 H SER 45 H SER 45 14.786 23.822 -14.051
304 HA SER 45 HA SER 45 15.516 24.033 -16.758
305 HB2 SER 45 1HB SER 45 17.407 25.354 -15.971
306 HB3 SER 45 2HB SER 45 15.962 25.782 -15.054
307 HG SER 45 HG SER 45 17.713 23.801 -14.094
308 H GLY 46 H GLY 46 16.572 22.637 -17.993
309 HA2 GLY 46 1HA GLY 46 17.814 20.792 -18.603
310 HA3 GLY 46 2HA GLY 46 19.031 21.529 -17.571
Start of MODEL 20
1 H1 GLY 1 H GLY 1 10.490 -5.845 14.272
2 HA2 GLY 1 1HA GLY 1 8.681 -6.756 16.410
3 HA3 GLY 1 2HA GLY 1 8.813 -5.103 15.828
4 H SER 2 H SER 2 6.426 -6.735 16.123
5 HA SER 2 HA SER 2 5.306 -6.256 13.509
6 HB2 SER 2 1HB SER 2 6.250 -8.555 13.302
7 HB3 SER 2 2HB SER 2 5.219 -9.064 14.639
8 HG SER 2 HG SER 2 4.590 -9.002 12.104
9 H SER 3 H SER 3 2.958 -6.497 13.485
10 HA SER 3 HA SER 3 1.662 -6.745 16.084
11 HB2 SER 3 1HB SER 3 2.379 -4.282 15.541
12 HB3 SER 3 2HB SER 3 0.996 -4.320 14.449
13 HG SER 3 HG SER 3 0.166 -5.339 16.718
14 H GLY 4 H GLY 4 -0.688 -6.863 15.923
15 HA2 GLY 4 1HA GLY 4 -1.537 -7.808 13.254
16 HA3 GLY 4 2HA GLY 4 -2.081 -8.535 14.759
17 H SER 5 H SER 5 -3.967 -7.802 12.990
18 HA SER 5 HA SER 5 -5.438 -5.820 14.469
19 HB2 SER 5 1HB SER 5 -4.411 -5.248 11.702
20 HB3 SER 5 2HB SER 5 -5.921 -4.532 12.263
21 HG SER 5 HG SER 5 -4.748 -3.639 14.016
22 H SER 6 H SER 6 -7.632 -5.427 13.302
23 HA SER 6 HA SER 6 -8.563 -7.500 11.563
24 HB2 SER 6 1HB SER 6 -10.196 -8.471 13.183
25 HB3 SER 6 2HB SER 6 -8.518 -8.823 13.594
26 HG SER 6 HG SER 6 -10.189 -6.843 14.753
27 H GLY 7 H GLY 7 -10.305 -6.808 10.467
28 HA2 GLY 7 1HA GLY 7 -11.925 -4.647 11.644
29 HA3 GLY 7 2HA GLY 7 -11.260 -4.468 10.027
30 H THR 8 H THR 8 -14.017 -5.084 11.574
31 HA THR 8 HA THR 8 -15.055 -7.366 10.264
32 HB THR 8 HB THR 8 -16.092 -6.472 12.294
33 HG1 THR 8 HG1 THR 8 -17.513 -6.864 9.931
34 HG21 THR 8 3HG2 THR 8 -15.916 -4.014 10.956
35 HG22 THR 8 1HG2 THR 8 -16.619 -4.319 12.543
36 HG23 THR 8 2HG2 THR 8 -17.640 -4.354 11.106
37 H GLY 9 H GLY 9 -15.349 -7.575 8.146
38 HA2 GLY 9 1HA GLY 9 -16.945 -6.702 6.379
39 HA3 GLY 9 2HA GLY 9 -16.100 -5.176 6.596
40 H GLU 10 H GLU 10 -15.614 -5.258 4.328
41 HA GLU 10 HA GLU 10 -13.281 -6.958 3.771
42 HB2 GLU 10 1HB GLU 10 -15.745 -6.570 2.121
43 HB3 GLU 10 2HB GLU 10 -14.207 -6.827 1.311
44 HG2 GLU 10 1HG GLU 10 -13.960 -8.895 2.760
45 HG3 GLU 10 2HG GLU 10 -15.660 -8.676 3.171
46 H LYS 11 H LYS 11 -11.590 -5.967 2.799
47 HA LYS 11 HA LYS 11 -11.937 -3.123 2.110
48 HB2 LYS 11 1HB LYS 11 -9.521 -4.566 3.212
49 HB3 LYS 11 2HB LYS 11 -9.507 -2.896 2.661
50 HG2 LYS 11 1HG LYS 11 -11.382 -2.519 4.364
51 HG3 LYS 11 2HG LYS 11 -10.893 -4.075 5.040
52 HD2 LYS 11 1HD LYS 11 -8.495 -2.967 4.921
53 HD3 LYS 11 2HD LYS 11 -9.440 -1.478 4.986
54 HE2 LYS 11 1HE LYS 11 -9.635 -3.750 6.961
55 HE3 LYS 11 2HE LYS 11 -8.727 -2.261 7.216
56 HZ1 LYS 11 3HZ LYS 11 -11.165 -1.340 6.546
57 HZ2 LYS 11 1HZ LYS 11 -10.617 -1.543 8.134
58 HZ3 LYS 11 2HZ LYS 11 -11.563 -2.741 7.406
59 HA PRO 12 HA PRO 12 -10.894 -5.078 -1.886
60 HB2 PRO 12 1HB PRO 12 -12.171 -3.196 -3.370
61 HB3 PRO 12 2HB PRO 12 -13.005 -4.572 -2.640
62 HG2 PRO 12 1HG PRO 12 -12.814 -1.744 -1.677
63 HG3 PRO 12 2HG PRO 12 -14.223 -2.821 -1.713
64 HD2 PRO 12 1HD PRO 12 -12.789 -2.372 0.540
65 HD3 PRO 12 2HD PRO 12 -13.587 -3.924 0.209
66 H TYR 13 H TYR 13 -10.029 -2.236 -0.316
67 HA TYR 13 HA TYR 13 -8.193 -1.480 -2.494
68 HB2 TYR 13 1HB TYR 13 -9.044 0.325 -0.233
69 HB3 TYR 13 2HB TYR 13 -8.248 0.773 -1.737
70 HD1 TYR 13 HD2 TYR 13 -9.526 0.742 -3.867
71 HD2 TYR 13 HD1 TYR 13 -11.415 0.097 -0.109
72 HE1 TYR 13 HE2 TYR 13 -11.713 1.201 -4.894
73 HE2 TYR 13 HE1 TYR 13 -13.608 0.553 -1.126
74 HH TYR 13 HH TYR 13 -14.379 0.345 -4.002
75 H GLU 14 H GLU 14 -6.056 -1.512 -2.116
76 HA GLU 14 HA GLU 14 -4.984 -1.405 0.560
77 HB2 GLU 14 1HB GLU 14 -5.365 -3.700 0.680
78 HB3 GLU 14 2HB GLU 14 -5.033 -3.945 -1.029
79 HG2 GLU 14 1HG GLU 14 -2.829 -3.008 0.731
80 HG3 GLU 14 2HG GLU 14 -3.329 -4.696 0.816
81 H CYS 15 H CYS 15 -3.330 -0.063 0.354
82 HA CYS 15 HA CYS 15 -2.120 0.655 -2.059
83 HB2 CYS 15 1HB CYS 15 -2.113 1.766 0.349
84 HB3 CYS 15 2HB CYS 15 -0.582 0.907 0.488
85 H SER 16 H SER 16 -0.070 0.210 -2.932
86 HA SER 16 HA SER 16 1.037 -2.392 -2.105
87 HB2 SER 16 1HB SER 16 0.988 -1.060 -4.821
88 HB3 SER 16 2HB SER 16 1.889 -2.533 -4.465
89 HG SER 16 HG SER 16 -0.900 -2.258 -4.038
90 H VAL 17 H VAL 17 1.910 0.810 -3.361
91 HA VAL 17 HA VAL 17 4.624 0.701 -3.439
92 HB VAL 17 HB VAL 17 4.588 3.112 -2.578
93 HG11 VAL 17 1HG1 VAL 17 2.647 2.834 -4.813
94 HG12 VAL 17 2HG1 VAL 17 4.079 3.857 -4.678
95 HG13 VAL 17 3HG1 VAL 17 4.254 2.133 -5.008
96 HG21 VAL 17 3HG2 VAL 17 2.365 4.164 -2.496
97 HG22 VAL 17 1HG2 VAL 17 1.621 2.572 -2.650
98 HG23 VAL 17 2HG2 VAL 17 2.579 2.964 -1.222
99 H CYS 18 H CYS 18 2.613 0.965 -0.555
100 HA CYS 18 HA CYS 18 5.029 0.545 1.082
101 HB2 CYS 18 1HB CYS 18 4.033 1.823 2.858
102 HB3 CYS 18 2HB CYS 18 3.956 2.788 1.387
103 H GLY 19 H GLY 19 1.625 -0.218 0.606
104 HA2 GLY 19 1HA GLY 19 0.775 -2.418 0.932
105 HA3 GLY 19 2HA GLY 19 2.051 -2.705 2.106
106 H LYS 20 H LYS 20 -0.784 -0.608 1.606
107 HA LYS 20 HA LYS 20 -1.439 -0.999 4.451
108 HB2 LYS 20 1HB LYS 20 -0.557 1.343 3.664
109 HB3 LYS 20 2HB LYS 20 -2.186 1.528 3.026
110 HG2 LYS 20 1HG LYS 20 -3.136 1.635 5.096
111 HG3 LYS 20 2HG LYS 20 -1.878 0.650 5.847
112 HD2 LYS 20 1HD LYS 20 -0.306 2.559 5.572
113 HD3 LYS 20 2HD LYS 20 -1.655 3.532 4.980
114 HE2 LYS 20 1HE LYS 20 -2.815 2.888 7.181
115 HE3 LYS 20 2HE LYS 20 -1.211 2.395 7.723
116 HZ1 LYS 20 3HZ LYS 20 -0.439 4.666 7.179
117 HZ2 LYS 20 1HZ LYS 20 -1.601 4.633 8.407
118 HZ3 LYS 20 2HZ LYS 20 -2.037 5.107 6.843
119 H ALA 21 H ALA 21 -3.786 -0.500 4.908
120 HA ALA 21 HA ALA 21 -5.489 -1.267 2.631
121 HB1 ALA 21 3HB ALA 21 -4.960 -2.797 4.954
122 HB2 ALA 21 1HB ALA 21 -6.634 -2.250 5.041
123 HB3 ALA 21 2HB ALA 21 -6.073 -3.156 3.635
124 H PHE 22 H PHE 22 -7.594 -0.440 2.621
125 HA PHE 22 HA PHE 22 -8.378 1.397 4.740
126 HB2 PHE 22 1HB PHE 22 -8.293 2.328 1.868
127 HB3 PHE 22 2HB PHE 22 -8.698 3.283 3.290
128 HD1 PHE 22 HD1 PHE 22 -5.955 1.571 1.518
129 HD2 PHE 22 HD2 PHE 22 -7.020 4.305 4.602
130 HE1 PHE 22 HE1 PHE 22 -3.599 2.248 1.727
131 HE2 PHE 22 HE2 PHE 22 -4.666 4.986 4.815
132 HZ PHE 22 HZ PHE 22 -2.951 3.958 3.377
133 H SER 23 H SER 23 -10.622 2.161 4.478
134 HA SER 23 HA SER 23 -12.279 0.001 3.476
135 HB2 SER 23 1HB SER 23 -14.081 1.712 4.481
136 HB3 SER 23 2HB SER 23 -13.155 0.611 5.501
137 HG SER 23 HG SER 23 -13.070 3.340 5.342
138 H HIS 24 H HIS 24 -11.921 3.495 2.967
139 HA HIS 24 HA HIS 24 -13.478 3.212 0.481
140 HB2 HIS 24 1HB HIS 24 -14.123 4.834 2.532
141 HB3 HIS 24 2HB HIS 24 -13.058 5.913 1.634
142 HD1 HIS 24 HD1 HIS 24 -14.032 7.060 -0.364
143 HD2 HIS 24 HD2 HIS 24 -16.407 3.929 0.981
144 HE1 HIS 24 HE1 HIS 24 -16.157 7.207 -1.700
145 H ARG 25 H ARG 25 -12.847 4.762 -1.256
146 HA ARG 25 HA ARG 25 -10.097 4.481 -1.854
147 HB2 ARG 25 1HB ARG 25 -12.444 5.773 -3.145
148 HB3 ARG 25 2HB ARG 25 -10.849 6.292 -3.671
149 HG2 ARG 25 1HG ARG 25 -10.397 3.738 -3.904
150 HG3 ARG 25 2HG ARG 25 -12.158 3.628 -3.941
151 HD2 ARG 25 1HD ARG 25 -12.023 5.461 -5.740
152 HD3 ARG 25 2HD ARG 25 -10.316 5.030 -5.848
153 HE ARG 25 HE ARG 25 -11.518 2.646 -6.113
154 HH11 ARG 25 1HH1 ARG 25 -12.063 5.717 -7.658
155 HH12 ARG 25 2HH1 ARG 25 -12.625 5.019 -9.141
156 HH21 ARG 25 1HH2 ARG 25 -12.256 1.714 -8.060
157 HH22 ARG 25 2HH2 ARG 25 -12.736 2.742 -9.368
158 H GLN 26 H GLN 26 -12.048 7.382 -1.149
159 HA GLN 26 HA GLN 26 -10.309 9.400 -1.300
160 HB2 GLN 26 1HB GLN 26 -12.644 9.497 -0.362
161 HB3 GLN 26 2HB GLN 26 -11.978 8.982 1.182
162 HG2 GLN 26 1HG GLN 26 -12.169 11.306 1.337
163 HG3 GLN 26 2HG GLN 26 -10.458 11.003 1.039
164 HE21 GLN 26 1HE2 GLN 26 -12.433 13.267 0.467
165 HE22 GLN 26 2HE2 GLN 26 -12.123 13.664 -1.185
166 H SER 27 H SER 27 -10.395 7.104 1.407
167 HA SER 27 HA SER 27 -8.332 8.248 2.917
168 HB2 SER 27 1HB SER 27 -10.025 6.266 3.418
169 HB3 SER 27 2HB SER 27 -8.661 5.279 2.894
170 HG SER 27 HG SER 27 -7.517 6.855 4.483
171 H LEU 28 H LEU 28 -8.151 5.398 0.775
172 HA LEU 28 HA LEU 28 -5.413 5.030 0.842
173 HB2 LEU 28 1HB LEU 28 -6.785 3.377 -0.158
174 HB3 LEU 28 2HB LEU 28 -7.418 4.521 -1.339
175 HG LEU 28 HG LEU 28 -5.218 4.593 -2.431
176 HD11 LEU 28 1HD1 LEU 28 -3.581 4.138 -0.901
177 HD12 LEU 28 2HD1 LEU 28 -3.714 2.566 -1.689
178 HD13 LEU 28 3HD1 LEU 28 -4.499 2.843 -0.134
179 HD21 LEU 28 3HD2 LEU 28 -6.096 2.999 -3.699
180 HD22 LEU 28 1HD2 LEU 28 -7.027 2.379 -2.336
181 HD23 LEU 28 2HD2 LEU 28 -5.390 1.790 -2.626
182 H SER 29 H SER 29 -7.310 7.091 -1.332
183 HA SER 29 HA SER 29 -5.198 7.957 -2.957
184 HB2 SER 29 1HB SER 29 -7.672 8.279 -3.383
185 HB3 SER 29 2HB SER 29 -7.624 9.604 -2.221
186 HG SER 29 HG SER 29 -5.732 9.620 -4.267
187 H VAL 30 H VAL 30 -6.737 9.699 -0.248
188 HA VAL 30 HA VAL 30 -4.875 11.786 -0.130
189 HB VAL 30 HB VAL 30 -6.559 10.657 2.110
190 HG11 VAL 30 1HG1 VAL 30 -4.871 11.992 3.098
191 HG12 VAL 30 2HG1 VAL 30 -5.021 13.231 1.850
192 HG13 VAL 30 3HG1 VAL 30 -6.317 12.998 3.024
193 HG21 VAL 30 3HG2 VAL 30 -7.190 12.242 -0.237
194 HG22 VAL 30 1HG2 VAL 30 -8.266 11.437 0.906
195 HG23 VAL 30 2HG2 VAL 30 -7.653 13.053 1.259
196 H HIS 31 H HIS 31 -4.600 8.522 0.820
197 HA HIS 31 HA HIS 31 -2.551 8.959 2.810
198 HB2 HIS 31 1HB HIS 31 -3.648 7.021 3.348
199 HB3 HIS 31 2HB HIS 31 -3.962 6.604 1.666
200 HD1 HIS 31 HD1 HIS 31 -1.009 6.693 4.062
201 HD2 HIS 31 HD2 HIS 31 -2.376 4.619 0.731
202 HE1 HIS 31 HE1 HIS 31 0.655 4.845 3.691
203 H GLN 32 H GLN 32 -2.630 7.349 -0.375
204 HA GLN 32 HA GLN 32 -0.018 6.772 -0.764
205 HB2 GLN 32 1HB GLN 32 -2.078 7.824 -2.680
206 HB3 GLN 32 2HB GLN 32 -0.449 7.451 -3.228
207 HG2 GLN 32 1HG GLN 32 -0.685 5.168 -2.703
208 HG3 GLN 32 2HG GLN 32 -2.150 5.458 -1.767
209 HE21 GLN 32 1HE2 GLN 32 -1.699 3.653 -4.008
210 HE22 GLN 32 2HE2 GLN 32 -2.841 4.101 -5.224
211 H ARG 33 H ARG 33 -1.402 9.932 -0.558
212 HA ARG 33 HA ARG 33 0.402 11.519 -1.899
213 HB2 ARG 33 1HB ARG 33 -0.996 12.024 0.731
214 HB3 ARG 33 2HB ARG 33 -0.116 13.260 -0.158
215 HG2 ARG 33 1HG ARG 33 -1.645 12.801 -2.100
216 HG3 ARG 33 2HG ARG 33 -2.603 11.802 -1.005
217 HD2 ARG 33 1HD ARG 33 -3.677 13.849 -0.883
218 HD3 ARG 33 2HD ARG 33 -2.602 13.900 0.513
219 HE ARG 33 HE ARG 33 -2.375 15.465 -1.929
220 HH11 ARG 33 1HH1 ARG 33 -0.966 14.482 1.099
221 HH12 ARG 33 2HH1 ARG 33 0.142 15.812 1.164
222 HH21 ARG 33 1HH2 ARG 33 -0.921 17.221 -1.854
223 HH22 ARG 33 2HH2 ARG 33 0.166 17.370 -0.515
224 H ILE 34 H ILE 34 0.702 10.127 1.340
225 HA ILE 34 HA ILE 34 2.973 11.381 2.250
226 HB ILE 34 HB ILE 34 3.395 9.473 3.648
227 HG12 ILE 34 1HG1 ILE 34 1.485 7.948 1.863
228 HG13 ILE 34 2HG1 ILE 34 3.234 7.745 1.887
229 HG21 ILE 34 1HG2 ILE 34 0.435 9.831 3.198
230 HG22 ILE 34 2HG2 ILE 34 1.174 9.135 4.639
231 HG23 ILE 34 3HG2 ILE 34 1.463 10.825 4.229
232 HD11 ILE 34 3HD1 ILE 34 2.528 5.997 3.194
233 HD12 ILE 34 1HD1 ILE 34 2.865 7.232 4.407
234 HD13 ILE 34 2HD1 ILE 34 1.203 6.921 3.904
235 H HIS 35 H HIS 35 2.673 9.193 -0.380
236 HA HIS 35 HA HIS 35 5.506 8.544 -0.436
237 HB2 HIS 35 1HB HIS 35 3.477 7.875 -2.563
238 HB3 HIS 35 2HB HIS 35 4.998 7.059 -2.215
239 HD1 HIS 35 HD1 HIS 35 4.813 6.373 0.673
240 HD2 HIS 35 HD2 HIS 35 1.530 6.145 -1.864
241 HE1 HIS 35 HE1 HIS 35 3.222 4.767 1.775
242 H SER 36 H SER 36 4.611 11.327 -0.729
243 HA SER 36 HA SER 36 5.233 11.930 -3.518
244 HB2 SER 36 1HB SER 36 3.340 13.106 -2.461
245 HB3 SER 36 2HB SER 36 4.436 13.781 -1.256
246 HG SER 36 HG SER 36 5.258 14.209 -3.830
247 H GLY 37 H GLY 37 6.499 12.452 -0.261
248 HA2 GLY 37 1HA GLY 37 8.837 13.838 -1.329
249 HA3 GLY 37 2HA GLY 37 8.443 13.619 0.369
250 H LYS 38 H LYS 38 8.439 11.194 1.029
251 HA LYS 38 HA LYS 38 11.079 10.204 0.435
252 HB2 LYS 38 1HB LYS 38 10.539 8.469 2.123
253 HB3 LYS 38 2HB LYS 38 10.297 10.105 2.721
254 HG2 LYS 38 1HG LYS 38 7.886 9.881 2.317
255 HG3 LYS 38 2HG LYS 38 8.147 8.223 1.770
256 HD2 LYS 38 1HD LYS 38 7.493 8.000 4.007
257 HD3 LYS 38 2HD LYS 38 9.251 7.844 4.050
258 HE2 LYS 38 1HE LYS 38 9.493 10.108 4.798
259 HE3 LYS 38 2HE LYS 38 7.775 10.421 4.564
260 HZ1 LYS 38 3HZ LYS 38 7.497 8.503 6.250
261 HZ2 LYS 38 1HZ LYS 38 7.912 10.043 6.815
262 HZ3 LYS 38 2HZ LYS 38 9.100 8.848 6.668
263 H LYS 39 H LYS 39 11.590 8.728 -1.038
264 HA LYS 39 HA LYS 39 9.425 7.081 -2.172
265 HB2 LYS 39 1HB LYS 39 10.301 8.633 -3.815
266 HB3 LYS 39 2HB LYS 39 11.948 8.119 -3.475
267 HG2 LYS 39 1HG LYS 39 11.268 5.822 -4.256
268 HG3 LYS 39 2HG LYS 39 9.767 6.555 -4.826
269 HD2 LYS 39 1HD LYS 39 12.498 7.526 -5.646
270 HD3 LYS 39 2HD LYS 39 11.586 6.318 -6.554
271 HE2 LYS 39 1HE LYS 39 9.749 7.924 -6.819
272 HE3 LYS 39 2HE LYS 39 10.682 9.129 -5.933
273 HZ1 LYS 39 3HZ LYS 39 10.695 8.969 -8.565
274 HZ2 LYS 39 1HZ LYS 39 11.971 7.905 -8.243
275 HZ3 LYS 39 2HZ LYS 39 12.039 9.500 -7.684
276 HA PRO 40 HA PRO 40 12.089 4.015 -0.101
277 HB2 PRO 40 1HB PRO 40 10.099 2.195 0.209
278 HB3 PRO 40 2HB PRO 40 10.350 3.543 1.324
279 HG2 PRO 40 1HG PRO 40 8.399 3.289 -0.932
280 HG3 PRO 40 2HG PRO 40 8.145 3.939 0.698
281 HD2 PRO 40 1HD PRO 40 8.531 5.528 -1.460
282 HD3 PRO 40 2HD PRO 40 9.081 5.977 0.167
283 H SER 41 H SER 41 9.787 3.584 -2.746
284 HA SER 41 HA SER 41 11.654 1.668 -3.966
285 HB2 SER 41 1HB SER 41 9.649 0.514 -2.955
286 HB3 SER 41 2HB SER 41 8.645 1.393 -4.108
287 HG SER 41 HG SER 41 10.406 -0.718 -4.521
288 H GLY 42 H GLY 42 8.637 3.426 -4.728
289 HA2 GLY 42 1HA GLY 42 9.131 5.360 -6.346
290 HA3 GLY 42 2HA GLY 42 9.802 4.085 -7.353
291 HA PRO 43 HA PRO 43 5.171 4.727 -8.108
292 HB2 PRO 43 1HB PRO 43 5.367 5.767 -10.608
293 HB3 PRO 43 2HB PRO 43 5.359 6.766 -9.150
294 HG2 PRO 43 1HG PRO 43 7.678 5.852 -10.808
295 HG3 PRO 43 2HG PRO 43 7.370 7.448 -10.098
296 HD2 PRO 43 1HD PRO 43 9.066 5.659 -8.979
297 HD3 PRO 43 2HD PRO 43 8.112 6.803 -8.013
298 H SER 44 H SER 44 5.033 2.467 -8.205
299 HA SER 44 HA SER 44 5.413 1.347 -10.899
300 HB2 SER 44 1HB SER 44 6.304 -0.682 -10.044
301 HB3 SER 44 2HB SER 44 7.181 0.602 -9.213
302 HG SER 44 HG SER 44 6.547 -0.388 -7.474
303 H SER 45 H SER 45 4.075 -0.577 -11.315
304 HA SER 45 HA SER 45 1.922 -1.327 -11.592
305 HB2 SER 45 1HB SER 45 2.771 -2.784 -9.814
306 HB3 SER 45 2HB SER 45 2.249 -1.620 -8.595
307 HG SER 45 HG SER 45 0.442 -2.750 -10.451
308 H GLY 46 H GLY 46 1.942 1.450 -11.530
309 HA2 GLY 46 1HA GLY 46 -0.145 2.327 -9.707
310 HA3 GLY 46 2HA GLY 46 0.717 3.327 -10.866