Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504753 | 2emz RC | 10228 | 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 2.651 -4.960 3.094
2 HA2 GLY 1 1HA GLY 1 1.281 -6.282 0.935
3 HA3 GLY 1 2HA GLY 1 3.014 -6.286 1.231
4 H SER 2 H SER 2 1.213 -8.487 0.484
5 HA SER 2 HA SER 2 1.243 -10.178 2.867
6 HB2 SER 2 1HB SER 2 0.117 -10.655 0.098
7 HB3 SER 2 2HB SER 2 0.006 -11.797 1.436
8 HG SER 2 HG SER 2 -1.779 -10.738 1.821
9 H SER 3 H SER 3 2.338 -10.369 -0.521
10 HA SER 3 HA SER 3 4.892 -11.373 0.145
11 HB2 SER 3 1HB SER 3 4.635 -13.681 -0.734
12 HB3 SER 3 2HB SER 3 3.692 -13.412 0.733
13 HG SER 3 HG SER 3 1.917 -12.913 -0.823
14 H GLY 4 H GLY 4 6.121 -10.637 -1.448
15 HA2 GLY 4 1HA GLY 4 4.974 -10.564 -4.172
16 HA3 GLY 4 2HA GLY 4 6.046 -9.321 -3.544
17 H SER 5 H SER 5 7.549 -9.588 -5.199
18 HA SER 5 HA SER 5 8.784 -12.196 -5.560
19 HB2 SER 5 1HB SER 5 8.432 -11.027 -7.599
20 HB3 SER 5 2HB SER 5 9.115 -9.537 -6.949
21 HG SER 5 HG SER 5 10.427 -11.099 -8.382
22 H SER 6 H SER 6 9.945 -8.894 -4.868
23 HA SER 6 HA SER 6 12.555 -9.542 -4.199
24 HB2 SER 6 1HB SER 6 10.739 -7.299 -3.346
25 HB3 SER 6 2HB SER 6 12.380 -7.424 -2.712
26 HG SER 6 HG SER 6 11.502 -6.860 -5.301
27 H GLY 7 H GLY 7 13.590 -10.246 -2.394
28 HA2 GLY 7 1HA GLY 7 11.961 -10.740 0.011
29 HA3 GLY 7 2HA GLY 7 12.922 -12.037 -0.682
30 H SER 8 H SER 8 15.224 -10.596 -1.363
31 HA SER 8 HA SER 8 16.206 -9.794 1.298
32 HB2 SER 8 1HB SER 8 17.634 -11.318 -0.892
33 HB3 SER 8 2HB SER 8 18.434 -10.676 0.543
34 HG SER 8 HG SER 8 17.697 -12.305 1.637
35 H GLY 9 H GLY 9 15.088 -7.936 -0.467
36 HA2 GLY 9 1HA GLY 9 17.492 -6.425 -1.289
37 HA3 GLY 9 2HA GLY 9 16.003 -6.406 -2.223
38 H GLU 10 H GLU 10 17.721 -5.065 0.424
39 HA GLU 10 HA GLU 10 15.462 -3.748 1.622
40 HB2 GLU 10 1HB GLU 10 18.417 -3.736 2.049
41 HB3 GLU 10 2HB GLU 10 17.473 -2.399 2.691
42 HG2 GLU 10 1HG GLU 10 16.011 -4.173 3.785
43 HG3 GLU 10 2HG GLU 10 17.298 -5.309 3.387
44 H ARG 11 H ARG 11 14.627 -1.818 1.131
45 HA ARG 11 HA ARG 11 15.896 -0.288 -1.023
46 HB2 ARG 11 1HB ARG 11 13.080 -0.423 0.028
47 HB3 ARG 11 2HB ARG 11 13.607 0.893 -1.013
48 HG2 ARG 11 1HG ARG 11 13.848 -2.007 -1.767
49 HG3 ARG 11 2HG ARG 11 12.453 -1.004 -2.169
50 HD2 ARG 11 1HD ARG 11 13.764 -0.855 -4.077
51 HD3 ARG 11 2HD ARG 11 14.194 0.606 -3.189
52 HE ARG 11 HE ARG 11 15.932 -1.562 -2.561
53 HH11 ARG 11 1HH1 ARG 11 15.257 0.875 -4.954
54 HH12 ARG 11 2HH1 ARG 11 16.887 0.937 -5.539
55 HH21 ARG 11 1HH2 ARG 11 18.080 -1.490 -3.323
56 HH22 ARG 11 2HH2 ARG 11 18.492 -0.409 -4.611
57 HA PRO 12 HA PRO 12 17.005 3.094 1.544
58 HB2 PRO 12 1HB PRO 12 16.541 5.207 -0.096
59 HB3 PRO 12 2HB PRO 12 17.887 4.086 -0.332
60 HG2 PRO 12 1HG PRO 12 15.227 4.165 -1.702
61 HG3 PRO 12 2HG PRO 12 16.836 3.895 -2.397
62 HD2 PRO 12 1HD PRO 12 15.114 1.870 -1.881
63 HD3 PRO 12 2HD PRO 12 16.875 1.679 -1.766
64 H PHE 13 H PHE 13 13.819 3.087 0.098
65 HA PHE 13 HA PHE 13 12.860 4.775 2.315
66 HB2 PHE 13 1HB PHE 13 12.004 4.721 -0.574
67 HB3 PHE 13 2HB PHE 13 10.967 5.380 0.688
68 HD1 PHE 13 HD1 PHE 13 14.528 5.644 -0.406
69 HD2 PHE 13 HD2 PHE 13 11.038 7.647 0.980
70 HE1 PHE 13 HE1 PHE 13 15.702 7.800 -0.576
71 HE2 PHE 13 HE2 PHE 13 12.205 9.806 0.811
72 HZ PHE 13 HZ PHE 13 14.539 9.885 0.031
73 H LYS 14 H LYS 14 10.620 4.366 2.968
74 HA LYS 14 HA LYS 14 9.438 1.839 2.198
75 HB2 LYS 14 1HB LYS 14 10.948 0.993 3.838
76 HB3 LYS 14 2HB LYS 14 10.580 2.304 4.951
77 HG2 LYS 14 1HG LYS 14 8.350 0.534 4.121
78 HG3 LYS 14 2HG LYS 14 9.556 -0.117 5.234
79 HD2 LYS 14 1HD LYS 14 9.163 2.122 6.518
80 HD3 LYS 14 2HD LYS 14 7.646 2.152 5.615
81 HE2 LYS 14 1HE LYS 14 7.019 1.042 7.534
82 HE3 LYS 14 2HE LYS 14 7.418 -0.302 6.466
83 HZ1 LYS 14 3HZ LYS 14 8.740 0.594 8.880
84 HZ2 LYS 14 1HZ LYS 14 9.783 0.181 7.613
85 HZ3 LYS 14 2HZ LYS 14 8.667 -0.950 8.194
86 H CYS 15 H CYS 15 7.264 1.684 2.718
87 HA CYS 15 HA CYS 15 6.020 4.200 3.498
88 HB2 CYS 15 1HB CYS 15 5.157 3.134 1.501
89 HB3 CYS 15 2HB CYS 15 4.861 1.639 2.383
90 H ASN 16 H ASN 16 5.068 4.562 5.402
91 HA ASN 16 HA ASN 16 5.213 2.518 7.443
92 HB2 ASN 16 1HB ASN 16 3.993 5.243 7.814
93 HB3 ASN 16 2HB ASN 16 4.811 4.232 9.001
94 HD21 ASN 16 1HD2 ASN 16 7.075 4.093 8.962
95 HD22 ASN 16 2HD2 ASN 16 8.036 5.298 8.182
96 H GLU 17 H GLU 17 2.877 3.736 5.267
97 HA GLU 17 HA GLU 17 0.524 3.254 6.763
98 HB2 GLU 17 1HB GLU 17 0.772 3.094 3.760
99 HB3 GLU 17 2HB GLU 17 -0.659 3.491 4.700
100 HG2 GLU 17 1HG GLU 17 1.813 5.192 4.730
101 HG3 GLU 17 2HG GLU 17 0.521 5.407 3.550
102 H CYS 18 H CYS 18 1.988 1.336 4.132
103 HA CYS 18 HA CYS 18 0.705 -1.049 5.296
104 HB2 CYS 18 1HB CYS 18 0.667 -2.005 3.039
105 HB3 CYS 18 2HB CYS 18 -0.208 -0.479 3.091
106 H GLY 19 H GLY 19 3.557 0.107 3.517
107 HA2 GLY 19 1HA GLY 19 5.675 -0.639 4.739
108 HA3 GLY 19 2HA GLY 19 5.029 -2.254 4.493
109 H LYS 20 H LYS 20 4.317 -0.134 1.948
110 HA LYS 20 HA LYS 20 5.833 -1.631 0.082
111 HB2 LYS 20 1HB LYS 20 3.705 -0.414 -0.426
112 HB3 LYS 20 2HB LYS 20 4.595 1.099 -0.313
113 HG2 LYS 20 1HG LYS 20 4.344 0.479 -2.621
114 HG3 LYS 20 2HG LYS 20 6.044 0.354 -2.162
115 HD2 LYS 20 1HD LYS 20 6.055 -1.931 -2.308
116 HD3 LYS 20 2HD LYS 20 4.340 -2.072 -1.914
117 HE2 LYS 20 1HE LYS 20 5.204 -0.813 -4.487
118 HE3 LYS 20 2HE LYS 20 5.148 -2.568 -4.333
119 HZ1 LYS 20 3HZ LYS 20 3.080 -1.225 -5.155
120 HZ2 LYS 20 1HZ LYS 20 2.806 -1.017 -3.499
121 HZ3 LYS 20 2HZ LYS 20 2.889 -2.574 -4.153
122 H GLY 21 H GLY 21 7.768 -1.244 -0.888
123 HA2 GLY 21 1HA GLY 21 9.279 1.097 0.103
124 HA3 GLY 21 2HA GLY 21 10.010 -0.476 -0.182
125 H PHE 22 H PHE 22 10.690 2.154 -1.299
126 HA PHE 22 HA PHE 22 10.599 1.377 -4.122
127 HB2 PHE 22 1HB PHE 22 9.992 4.163 -3.109
128 HB3 PHE 22 2HB PHE 22 10.146 3.701 -4.801
129 HD1 PHE 22 HD2 PHE 22 8.158 3.055 -1.736
130 HD2 PHE 22 HD1 PHE 22 8.302 2.922 -5.988
131 HE1 PHE 22 HE2 PHE 22 5.760 2.506 -1.797
132 HE2 PHE 22 HE1 PHE 22 5.905 2.374 -6.056
133 HZ PHE 22 HZ PHE 22 4.631 2.164 -3.959
134 H GLY 23 H GLY 23 12.233 2.527 -5.438
135 HA2 GLY 23 1HA GLY 23 14.751 2.544 -4.068
136 HA3 GLY 23 2HA GLY 23 14.491 2.869 -5.775
137 H ARG 24 H ARG 24 12.905 5.046 -5.807
138 HA ARG 24 HA ARG 24 14.652 7.081 -4.623
139 HB2 ARG 24 1HB ARG 24 12.542 7.515 -6.733
140 HB3 ARG 24 2HB ARG 24 13.878 8.577 -6.309
141 HG2 ARG 24 1HG ARG 24 14.388 5.827 -7.371
142 HG3 ARG 24 2HG ARG 24 14.035 7.173 -8.457
143 HD2 ARG 24 1HD ARG 24 15.902 8.350 -6.984
144 HD3 ARG 24 2HD ARG 24 16.407 6.678 -6.741
145 HE ARG 24 HE ARG 24 15.960 7.379 -9.496
146 HH11 ARG 24 1HH1 ARG 24 18.259 7.312 -6.883
147 HH12 ARG 24 2HH1 ARG 24 19.642 7.308 -7.927
148 HH21 ARG 24 1HH2 ARG 24 17.772 7.373 -10.881
149 HH22 ARG 24 2HH2 ARG 24 19.364 7.343 -10.201
150 H ARG 25 H ARG 25 13.502 9.177 -4.036
151 HA ARG 25 HA ARG 25 11.595 8.603 -1.998
152 HB2 ARG 25 1HB ARG 25 12.892 10.382 -1.367
153 HB3 ARG 25 2HB ARG 25 13.001 11.021 -3.002
154 HG2 ARG 25 1HG ARG 25 11.720 12.435 -1.390
155 HG3 ARG 25 2HG ARG 25 10.842 11.995 -2.857
156 HD2 ARG 25 1HD ARG 25 9.395 10.624 -1.745
157 HD3 ARG 25 2HD ARG 25 10.571 10.218 -0.495
158 HE ARG 25 HE ARG 25 9.704 11.903 0.763
159 HH11 ARG 25 1HH1 ARG 25 8.974 12.544 -2.580
160 HH12 ARG 25 2HH1 ARG 25 8.029 13.955 -2.238
161 HH21 ARG 25 1HH2 ARG 25 8.461 13.759 1.226
162 HH22 ARG 25 2HH2 ARG 25 7.738 14.645 -0.073
163 H SER 26 H SER 26 11.337 10.865 -4.747
164 HA SER 26 HA SER 26 8.653 11.367 -4.653
165 HB2 SER 26 1HB SER 26 10.317 11.007 -7.158
166 HB3 SER 26 2HB SER 26 8.771 11.850 -7.068
167 HG SER 26 HG SER 26 9.728 13.523 -6.199
168 H HIS 27 H HIS 27 10.251 8.494 -5.837
169 HA HIS 27 HA HIS 27 8.111 7.348 -7.250
170 HB2 HIS 27 1HB HIS 27 10.512 6.177 -5.862
171 HB3 HIS 27 2HB HIS 27 9.325 5.153 -6.666
172 HD1 HIS 27 HD1 HIS 27 12.247 5.280 -7.641
173 HD2 HIS 27 HD2 HIS 27 9.162 7.598 -9.178
174 HE1 HIS 27 HE1 HIS 27 12.985 5.932 -9.955
175 H LEU 28 H LEU 28 8.957 7.317 -3.836
176 HA LEU 28 HA LEU 28 6.818 5.473 -3.183
177 HB2 LEU 28 1HB LEU 28 8.663 5.154 -1.818
178 HB3 LEU 28 2HB LEU 28 8.955 6.883 -1.641
179 HG LEU 28 HG LEU 28 6.881 6.983 -0.221
180 HD11 LEU 28 1HD1 LEU 28 6.435 4.451 -1.190
181 HD12 LEU 28 2HD1 LEU 28 5.617 5.192 0.186
182 HD13 LEU 28 3HD1 LEU 28 7.018 4.154 0.448
183 HD21 LEU 28 3HD2 LEU 28 9.405 6.601 0.489
184 HD22 LEU 28 1HD2 LEU 28 8.746 5.077 1.084
185 HD23 LEU 28 2HD2 LEU 28 8.094 6.608 1.670
186 H ALA 29 H ALA 29 7.607 8.881 -2.540
187 HA ALA 29 HA ALA 29 5.608 9.763 -0.995
188 HB1 ALA 29 3HB ALA 29 7.196 10.934 -3.100
189 HB2 ALA 29 1HB ALA 29 5.590 11.660 -3.033
190 HB3 ALA 29 2HB ALA 29 6.615 11.651 -1.597
191 H GLY 30 H GLY 30 5.263 9.033 -4.452
192 HA2 GLY 30 1HA GLY 30 2.544 9.816 -4.644
193 HA3 GLY 30 2HA GLY 30 3.399 8.773 -5.771
194 H HIS 31 H HIS 31 4.099 6.745 -3.877
195 HA HIS 31 HA HIS 31 1.899 5.057 -4.080
196 HB2 HIS 31 1HB HIS 31 4.067 4.103 -3.762
197 HB3 HIS 31 2HB HIS 31 4.295 4.968 -2.245
198 HD1 HIS 31 HD1 HIS 31 2.343 2.095 -3.715
199 HD2 HIS 31 HD2 HIS 31 3.331 3.687 -0.007
200 HE1 HIS 31 HE1 HIS 31 1.586 0.391 -2.028
201 H LEU 32 H LEU 32 2.509 7.567 -1.848
202 HA LEU 32 HA LEU 32 0.656 6.514 0.142
203 HB2 LEU 32 1HB LEU 32 2.234 9.083 0.079
204 HB3 LEU 32 2HB LEU 32 1.242 8.527 1.426
205 HG LEU 32 HG LEU 32 3.270 7.864 2.194
206 HD11 LEU 32 1HD1 LEU 32 2.459 5.627 0.352
207 HD12 LEU 32 2HD1 LEU 32 2.065 5.818 2.060
208 HD13 LEU 32 3HD1 LEU 32 3.726 5.483 1.570
209 HD21 LEU 32 3HD2 LEU 32 5.165 7.946 1.004
210 HD22 LEU 32 1HD2 LEU 32 4.153 8.606 -0.281
211 HD23 LEU 32 2HD2 LEU 32 4.534 6.884 -0.255
212 H ARG 33 H ARG 33 0.716 8.668 -2.535
213 HA ARG 33 HA ARG 33 -1.357 10.427 -1.860
214 HB2 ARG 33 1HB ARG 33 -0.336 9.404 -4.502
215 HB3 ARG 33 2HB ARG 33 -1.662 10.555 -4.405
216 HG2 ARG 33 1HG ARG 33 -0.208 12.127 -3.223
217 HG3 ARG 33 2HG ARG 33 1.122 10.972 -3.335
218 HD2 ARG 33 1HD ARG 33 1.378 11.283 -5.601
219 HD3 ARG 33 2HD ARG 33 -0.293 11.801 -5.824
220 HE ARG 33 HE ARG 33 1.367 13.601 -4.283
221 HH11 ARG 33 1HH1 ARG 33 0.121 12.747 -7.419
222 HH12 ARG 33 2HH1 ARG 33 0.367 14.325 -8.091
223 HH21 ARG 33 1HH2 ARG 33 1.697 15.682 -5.156
224 HH22 ARG 33 2HH2 ARG 33 1.265 15.994 -6.803
225 H LEU 34 H LEU 34 -1.398 7.116 -2.913
226 HA LEU 34 HA LEU 34 -4.214 7.129 -3.567
227 HB2 LEU 34 1HB LEU 34 -3.907 4.703 -3.870
228 HB3 LEU 34 2HB LEU 34 -2.776 5.669 -4.815
229 HG LEU 34 HG LEU 34 -1.176 5.213 -2.782
230 HD11 LEU 34 1HD1 LEU 34 -1.676 2.751 -2.097
231 HD12 LEU 34 2HD1 LEU 34 -3.343 3.183 -2.477
232 HD13 LEU 34 3HD1 LEU 34 -2.459 4.080 -1.242
233 HD21 LEU 34 3HD2 LEU 34 -0.662 2.929 -3.953
234 HD22 LEU 34 1HD2 LEU 34 -0.426 4.450 -4.814
235 HD23 LEU 34 2HD2 LEU 34 -1.872 3.485 -5.111
236 H HIS 35 H HIS 35 -2.268 6.656 -0.784
237 HA HIS 35 HA HIS 35 -4.078 5.007 0.684
238 HB2 HIS 35 1HB HIS 35 -1.596 6.534 1.287
239 HB3 HIS 35 2HB HIS 35 -2.644 6.128 2.643
240 HD1 HIS 35 HD1 HIS 35 -3.328 3.404 2.601
241 HD2 HIS 35 HD2 HIS 35 0.213 4.600 0.786
242 HE1 HIS 35 HE1 HIS 35 -1.919 1.327 2.442
243 H SER 36 H SER 36 -4.354 8.122 -0.357
244 HA SER 36 HA SER 36 -5.925 8.969 1.982
245 HB2 SER 36 1HB SER 36 -4.101 10.496 1.260
246 HB3 SER 36 2HB SER 36 -4.892 10.661 -0.307
247 HG SER 36 HG SER 36 -5.883 12.253 0.652
248 H ARG 37 H ARG 37 -6.008 9.060 -1.580
249 HA ARG 37 HA ARG 37 -8.567 9.937 -1.993
250 HB2 ARG 37 1HB ARG 37 -8.530 8.719 -4.115
251 HB3 ARG 37 2HB ARG 37 -6.983 9.497 -3.808
252 HG2 ARG 37 1HG ARG 37 -6.120 7.315 -2.983
253 HG3 ARG 37 2HG ARG 37 -7.643 6.579 -3.487
254 HD2 ARG 37 1HD ARG 37 -5.755 8.072 -5.305
255 HD3 ARG 37 2HD ARG 37 -5.833 6.317 -5.154
256 HE ARG 37 HE ARG 37 -7.830 6.318 -6.333
257 HH11 ARG 37 1HH1 ARG 37 -6.773 9.570 -5.681
258 HH12 ARG 37 2HH1 ARG 37 -7.886 10.294 -6.794
259 HH21 ARG 37 1HH2 ARG 37 -9.300 7.260 -7.802
260 HH22 ARG 37 2HH2 ARG 37 -9.323 8.979 -7.999
261 H GLU 38 H GLU 38 -7.563 6.554 -1.510
262 HA GLU 38 HA GLU 38 -10.377 5.835 -1.084
263 HB2 GLU 38 1HB GLU 38 -9.457 3.463 -1.231
264 HB3 GLU 38 2HB GLU 38 -9.433 4.414 -2.709
265 HG2 GLU 38 1HG GLU 38 -7.146 4.637 -2.694
266 HG3 GLU 38 2HG GLU 38 -7.026 4.377 -0.954
267 H LYS 39 H LYS 39 -9.184 7.271 0.957
268 HA LYS 39 HA LYS 39 -8.307 5.384 2.986
269 HB2 LYS 39 1HB LYS 39 -7.513 7.878 2.552
270 HB3 LYS 39 2HB LYS 39 -8.872 8.247 3.606
271 HG2 LYS 39 1HG LYS 39 -7.733 6.382 5.104
272 HG3 LYS 39 2HG LYS 39 -6.301 6.906 4.216
273 HD2 LYS 39 1HD LYS 39 -6.646 9.190 4.931
274 HD3 LYS 39 2HD LYS 39 -8.161 8.745 5.721
275 HE2 LYS 39 1HE LYS 39 -5.439 7.677 6.462
276 HE3 LYS 39 2HE LYS 39 -6.276 8.981 7.303
277 HZ1 LYS 39 3HZ LYS 39 -7.082 7.345 8.567
278 HZ2 LYS 39 1HZ LYS 39 -6.692 6.135 7.451
279 HZ3 LYS 39 2HZ LYS 39 -8.123 7.017 7.275
280 H SER 40 H SER 40 -11.062 7.492 2.313
281 HA SER 40 HA SER 40 -12.436 6.829 4.738
282 HB2 SER 40 1HB SER 40 -12.817 8.971 3.578
283 HB3 SER 40 2HB SER 40 -13.490 8.102 2.199
284 HG SER 40 HG SER 40 -14.930 7.189 4.015
285 H SER 41 H SER 41 -12.416 4.530 4.680
286 HA SER 41 HA SER 41 -14.066 3.269 2.614
287 HB2 SER 41 1HB SER 41 -13.112 1.187 3.274
288 HB3 SER 41 2HB SER 41 -11.782 2.345 3.246
289 HG SER 41 HG SER 41 -11.758 1.074 5.143
290 H GLY 42 H GLY 42 -15.573 1.526 3.358
291 HA2 GLY 42 1HA GLY 42 -16.810 0.680 5.349
292 HA3 GLY 42 2HA GLY 42 -16.912 2.358 5.859
293 HA PRO 43 HA PRO 43 -19.861 1.657 2.047
294 HB2 PRO 43 1HB PRO 43 -20.683 -0.913 1.748
295 HB3 PRO 43 2HB PRO 43 -19.271 -0.252 0.914
296 HG2 PRO 43 1HG PRO 43 -19.396 -1.921 3.396
297 HG3 PRO 43 2HG PRO 43 -18.287 -2.047 2.018
298 HD2 PRO 43 1HD PRO 43 -17.587 -0.858 4.349
299 HD3 PRO 43 2HD PRO 43 -16.948 -0.331 2.778
300 H SER 44 H SER 44 -20.269 -0.682 4.707
301 HA SER 44 HA SER 44 -22.575 0.741 5.685
302 HB2 SER 44 1HB SER 44 -22.883 -2.038 4.525
303 HB3 SER 44 2HB SER 44 -24.087 -1.249 5.544
304 HG SER 44 HG SER 44 -23.225 -0.536 2.952
305 H SER 45 H SER 45 -23.415 -0.212 7.699
306 HA SER 45 HA SER 45 -21.228 -1.445 9.202
307 HB2 SER 45 1HB SER 45 -23.711 0.050 10.049
308 HB3 SER 45 2HB SER 45 -22.675 -0.798 11.198
309 HG SER 45 HG SER 45 -21.012 0.599 9.839
310 H GLY 46 H GLY 46 -22.528 -3.183 7.483
311 HA2 GLY 46 1HA GLY 46 -23.516 -5.254 7.443
312 HA3 GLY 46 2HA GLY 46 -23.164 -5.324 9.163
Start of MODEL 2
1 H1 GLY 1 H GLY 1 8.223 -15.873 15.931
2 HA2 GLY 1 1HA GLY 1 8.291 -14.042 18.224
3 HA3 GLY 1 2HA GLY 1 9.417 -13.769 16.903
4 H SER 2 H SER 2 6.122 -13.559 17.958
5 HA SER 2 HA SER 2 5.213 -12.577 15.371
6 HB2 SER 2 1HB SER 2 3.881 -14.110 17.015
7 HB3 SER 2 2HB SER 2 3.518 -12.599 17.850
8 HG SER 2 HG SER 2 2.893 -13.313 15.181
9 H SER 3 H SER 3 7.147 -10.939 16.318
10 HA SER 3 HA SER 3 5.742 -8.641 17.494
11 HB2 SER 3 1HB SER 3 8.201 -7.786 17.697
12 HB3 SER 3 2HB SER 3 7.624 -9.019 18.819
13 HG SER 3 HG SER 3 8.893 -9.726 16.401
14 H GLY 4 H GLY 4 7.235 -9.809 14.622
15 HA2 GLY 4 1HA GLY 4 6.547 -8.633 12.568
16 HA3 GLY 4 2HA GLY 4 6.918 -7.133 13.406
17 H SER 5 H SER 5 8.764 -10.161 13.210
18 HA SER 5 HA SER 5 11.103 -8.614 12.401
19 HB2 SER 5 1HB SER 5 11.180 -10.313 14.283
20 HB3 SER 5 2HB SER 5 10.994 -11.563 13.054
21 HG SER 5 HG SER 5 12.951 -9.790 12.416
22 H SER 6 H SER 6 10.431 -8.189 10.241
23 HA SER 6 HA SER 6 11.408 -10.030 8.344
24 HB2 SER 6 1HB SER 6 9.286 -11.200 8.835
25 HB3 SER 6 2HB SER 6 8.393 -9.747 8.390
26 HG SER 6 HG SER 6 8.480 -11.141 6.629
27 H GLY 7 H GLY 7 11.089 -9.256 6.092
28 HA2 GLY 7 1HA GLY 7 10.288 -6.435 5.921
29 HA3 GLY 7 2HA GLY 7 11.920 -6.877 5.439
30 H SER 8 H SER 8 9.975 -5.655 3.762
31 HA SER 8 HA SER 8 9.496 -7.823 1.822
32 HB2 SER 8 1HB SER 8 7.631 -6.441 0.941
33 HB3 SER 8 2HB SER 8 7.384 -6.910 2.623
34 HG SER 8 HG SER 8 8.117 -4.395 1.575
35 H GLY 9 H GLY 9 11.970 -6.593 1.929
36 HA2 GLY 9 1HA GLY 9 12.984 -6.128 -0.361
37 HA3 GLY 9 2HA GLY 9 11.920 -4.730 -0.359
38 H GLU 10 H GLU 10 14.907 -5.028 -0.425
39 HA GLU 10 HA GLU 10 15.655 -3.689 2.066
40 HB2 GLU 10 1HB GLU 10 17.159 -5.096 -0.097
41 HB3 GLU 10 2HB GLU 10 17.996 -3.878 0.854
42 HG2 GLU 10 1HG GLU 10 17.618 -5.079 2.872
43 HG3 GLU 10 2HG GLU 10 16.530 -6.207 2.063
44 H ARG 11 H ARG 11 14.008 -2.224 0.333
45 HA ARG 11 HA ARG 11 15.569 -0.456 -1.289
46 HB2 ARG 11 1HB ARG 11 12.712 -0.457 -0.347
47 HB3 ARG 11 2HB ARG 11 13.384 0.910 -1.227
48 HG2 ARG 11 1HG ARG 11 13.268 -1.927 -2.229
49 HG3 ARG 11 2HG ARG 11 12.174 -0.623 -2.694
50 HD2 ARG 11 1HD ARG 11 14.305 0.634 -3.392
51 HD3 ARG 11 2HD ARG 11 15.094 -0.940 -3.303
52 HE ARG 11 HE ARG 11 13.311 -0.020 -5.343
53 HH11 ARG 11 1HH1 ARG 11 14.489 -2.839 -3.674
54 HH12 ARG 11 2HH1 ARG 11 14.142 -3.920 -4.983
55 HH21 ARG 11 1HH2 ARG 11 12.849 -1.433 -7.073
56 HH22 ARG 11 2HH2 ARG 11 13.210 -3.119 -6.916
57 HA PRO 12 HA PRO 12 16.852 2.550 1.639
58 HB2 PRO 12 1HB PRO 12 16.640 4.842 0.201
59 HB3 PRO 12 2HB PRO 12 17.895 3.634 -0.096
60 HG2 PRO 12 1HG PRO 12 15.313 4.079 -1.544
61 HG3 PRO 12 2HG PRO 12 16.922 3.736 -2.206
62 HD2 PRO 12 1HD PRO 12 15.014 1.831 -1.953
63 HD3 PRO 12 2HD PRO 12 16.746 1.474 -1.796
64 H PHE 13 H PHE 13 13.761 3.036 0.048
65 HA PHE 13 HA PHE 13 12.867 4.639 2.353
66 HB2 PHE 13 1HB PHE 13 11.996 4.677 -0.533
67 HB3 PHE 13 2HB PHE 13 11.030 5.402 0.748
68 HD1 PHE 13 HD1 PHE 13 14.648 5.383 -0.182
69 HD2 PHE 13 HD2 PHE 13 11.212 7.678 0.841
70 HE1 PHE 13 HE1 PHE 13 15.979 7.445 -0.354
71 HE2 PHE 13 HE2 PHE 13 12.537 9.744 0.669
72 HZ PHE 13 HZ PHE 13 14.923 9.630 0.070
73 H LYS 14 H LYS 14 10.566 4.367 2.935
74 HA LYS 14 HA LYS 14 9.296 1.886 2.148
75 HB2 LYS 14 1HB LYS 14 10.908 1.272 3.975
76 HB3 LYS 14 2HB LYS 14 10.009 2.335 5.050
77 HG2 LYS 14 1HG LYS 14 7.968 0.890 4.328
78 HG3 LYS 14 2HG LYS 14 9.205 -0.281 3.865
79 HD2 LYS 14 1HD LYS 14 9.962 -0.531 6.053
80 HD3 LYS 14 2HD LYS 14 9.245 0.995 6.576
81 HE2 LYS 14 1HE LYS 14 7.030 0.058 6.424
82 HE3 LYS 14 2HE LYS 14 7.667 -1.433 5.734
83 HZ1 LYS 14 3HZ LYS 14 7.326 -1.923 7.967
84 HZ2 LYS 14 1HZ LYS 14 7.925 -0.434 8.501
85 HZ3 LYS 14 2HZ LYS 14 8.985 -1.602 7.891
86 H CYS 15 H CYS 15 7.104 1.723 2.858
87 HA CYS 15 HA CYS 15 5.916 4.341 3.372
88 HB2 CYS 15 1HB CYS 15 4.982 3.170 1.493
89 HB3 CYS 15 2HB CYS 15 4.736 1.715 2.454
90 H ASN 16 H ASN 16 5.156 4.904 5.298
91 HA ASN 16 HA ASN 16 5.153 2.979 7.458
92 HB2 ASN 16 1HB ASN 16 4.984 5.941 7.227
93 HB3 ASN 16 2HB ASN 16 4.266 5.202 8.656
94 HD21 ASN 16 1HD2 ASN 16 7.224 5.574 6.814
95 HD22 ASN 16 2HD2 ASN 16 8.302 5.230 8.120
96 H GLU 17 H GLU 17 3.153 2.773 5.291
97 HA GLU 17 HA GLU 17 0.715 3.033 6.927
98 HB2 GLU 17 1HB GLU 17 0.704 2.947 3.921
99 HB3 GLU 17 2HB GLU 17 -0.564 3.499 5.005
100 HG2 GLU 17 1HG GLU 17 2.073 4.909 4.813
101 HG3 GLU 17 2HG GLU 17 0.742 5.259 3.712
102 H CYS 18 H CYS 18 2.016 1.191 4.161
103 HA CYS 18 HA CYS 18 0.637 -1.187 5.220
104 HB2 CYS 18 1HB CYS 18 0.674 -2.057 2.910
105 HB3 CYS 18 2HB CYS 18 -0.202 -0.534 3.027
106 H GLY 19 H GLY 19 3.603 -0.056 3.636
107 HA2 GLY 19 1HA GLY 19 5.649 -0.936 4.848
108 HA3 GLY 19 2HA GLY 19 4.940 -2.519 4.567
109 H LYS 20 H LYS 20 4.543 -0.141 2.110
110 HA LYS 20 HA LYS 20 5.936 -1.740 0.204
111 HB2 LYS 20 1HB LYS 20 3.919 -0.204 -0.194
112 HB3 LYS 20 2HB LYS 20 5.080 1.118 -0.216
113 HG2 LYS 20 1HG LYS 20 4.503 0.323 -2.465
114 HG3 LYS 20 2HG LYS 20 6.221 0.142 -2.104
115 HD2 LYS 20 1HD LYS 20 6.090 -2.154 -1.986
116 HD3 LYS 20 2HD LYS 20 4.377 -2.141 -1.563
117 HE2 LYS 20 1HE LYS 20 5.455 -1.357 -4.266
118 HE3 LYS 20 2HE LYS 20 4.883 -2.976 -3.867
119 HZ1 LYS 20 3HZ LYS 20 2.805 -2.332 -4.206
120 HZ2 LYS 20 1HZ LYS 20 3.373 -0.830 -4.741
121 HZ3 LYS 20 2HZ LYS 20 2.957 -1.047 -3.116
122 H GLY 21 H GLY 21 7.709 -0.985 -1.159
123 HA2 GLY 21 1HA GLY 21 9.454 1.004 0.126
124 HA3 GLY 21 2HA GLY 21 10.083 -0.603 -0.203
125 H PHE 22 H PHE 22 10.696 2.196 -1.233
126 HA PHE 22 HA PHE 22 10.801 1.421 -4.058
127 HB2 PHE 22 1HB PHE 22 10.042 4.189 -3.101
128 HB3 PHE 22 2HB PHE 22 10.208 3.675 -4.776
129 HD1 PHE 22 HD2 PHE 22 8.280 2.962 -1.679
130 HD2 PHE 22 HD1 PHE 22 8.366 2.886 -5.934
131 HE1 PHE 22 HE2 PHE 22 5.905 2.320 -1.712
132 HE2 PHE 22 HE1 PHE 22 5.991 2.245 -5.974
133 HZ PHE 22 HZ PHE 22 4.758 1.960 -3.861
134 H GLY 23 H GLY 23 12.377 2.811 -5.293
135 HA2 GLY 23 1HA GLY 23 14.823 2.985 -3.744
136 HA3 GLY 23 2HA GLY 23 14.675 3.151 -5.487
137 H ARG 24 H ARG 24 12.901 5.198 -5.763
138 HA ARG 24 HA ARG 24 14.475 7.446 -4.750
139 HB2 ARG 24 1HB ARG 24 12.298 7.512 -6.841
140 HB3 ARG 24 2HB ARG 24 13.505 8.749 -6.513
141 HG2 ARG 24 1HG ARG 24 14.404 6.027 -7.323
142 HG3 ARG 24 2HG ARG 24 13.766 7.130 -8.544
143 HD2 ARG 24 1HD ARG 24 15.998 7.657 -8.618
144 HD3 ARG 24 2HD ARG 24 15.424 8.826 -7.430
145 HE ARG 24 HE ARG 24 16.301 6.388 -6.225
146 HH11 ARG 24 1HH1 ARG 24 17.377 9.424 -7.547
147 HH12 ARG 24 2HH1 ARG 24 18.835 9.463 -6.613
148 HH21 ARG 24 1HH2 ARG 24 18.217 6.429 -4.988
149 HH22 ARG 24 2HH2 ARG 24 19.312 7.759 -5.158
150 H ARG 25 H ARG 25 13.510 9.258 -3.769
151 HA ARG 25 HA ARG 25 11.528 8.708 -1.876
152 HB2 ARG 25 1HB ARG 25 12.784 10.493 -1.206
153 HB3 ARG 25 2HB ARG 25 12.931 11.139 -2.834
154 HG2 ARG 25 1HG ARG 25 11.634 12.594 -1.336
155 HG3 ARG 25 2HG ARG 25 10.701 12.041 -2.728
156 HD2 ARG 25 1HD ARG 25 9.337 10.718 -1.461
157 HD3 ARG 25 2HD ARG 25 10.575 10.425 -0.241
158 HE ARG 25 HE ARG 25 8.679 12.602 -0.313
159 HH11 ARG 25 1HH1 ARG 25 11.678 11.407 0.988
160 HH12 ARG 25 2HH1 ARG 25 11.639 12.442 2.377
161 HH21 ARG 25 1HH2 ARG 25 8.616 13.970 1.511
162 HH22 ARG 25 2HH2 ARG 25 9.896 13.898 2.674
163 H SER 26 H SER 26 11.278 10.847 -4.724
164 HA SER 26 HA SER 26 8.570 11.377 -4.574
165 HB2 SER 26 1HB SER 26 8.743 12.252 -6.717
166 HB3 SER 26 2HB SER 26 10.430 12.266 -6.203
167 HG SER 26 HG SER 26 10.877 10.831 -7.674
168 H HIS 27 H HIS 27 10.219 8.569 -5.878
169 HA HIS 27 HA HIS 27 8.090 7.402 -7.270
170 HB2 HIS 27 1HB HIS 27 10.546 6.286 -5.945
171 HB3 HIS 27 2HB HIS 27 9.358 5.214 -6.681
172 HD1 HIS 27 HD1 HIS 27 12.106 5.186 -7.872
173 HD2 HIS 27 HD2 HIS 27 9.152 7.822 -9.133
174 HE1 HIS 27 HE1 HIS 27 12.764 5.869 -10.201
175 H LEU 28 H LEU 28 8.933 7.358 -3.861
176 HA LEU 28 HA LEU 28 6.851 5.444 -3.226
177 HB2 LEU 28 1HB LEU 28 8.674 5.150 -1.844
178 HB3 LEU 28 2HB LEU 28 8.968 6.881 -1.692
179 HG LEU 28 HG LEU 28 6.904 7.003 -0.261
180 HD11 LEU 28 1HD1 LEU 28 5.599 5.237 0.049
181 HD12 LEU 28 2HD1 LEU 28 6.970 4.241 0.537
182 HD13 LEU 28 3HD1 LEU 28 6.548 4.385 -1.169
183 HD21 LEU 28 3HD2 LEU 28 9.448 6.576 0.425
184 HD22 LEU 28 1HD2 LEU 28 8.732 5.108 1.090
185 HD23 LEU 28 2HD2 LEU 28 8.146 6.688 1.610
186 H ALA 29 H ALA 29 7.519 8.882 -2.652
187 HA ALA 29 HA ALA 29 5.488 9.683 -1.072
188 HB1 ALA 29 3HB ALA 29 5.375 11.748 -2.679
189 HB2 ALA 29 1HB ALA 29 6.832 11.418 -1.741
190 HB3 ALA 29 2HB ALA 29 6.757 10.965 -3.445
191 H GLY 30 H GLY 30 5.206 8.945 -4.529
192 HA2 GLY 30 1HA GLY 30 2.477 9.678 -4.768
193 HA3 GLY 30 2HA GLY 30 3.368 8.644 -5.875
194 H HIS 31 H HIS 31 4.075 6.688 -3.847
195 HA HIS 31 HA HIS 31 1.912 4.936 -4.109
196 HB2 HIS 31 1HB HIS 31 4.086 4.022 -3.740
197 HB3 HIS 31 2HB HIS 31 4.281 4.921 -2.238
198 HD1 HIS 31 HD1 HIS 31 2.458 1.957 -3.674
199 HD2 HIS 31 HD2 HIS 31 3.249 3.699 0.015
200 HE1 HIS 31 HE1 HIS 31 1.693 0.282 -1.961
201 H LEU 32 H LEU 32 2.434 7.487 -1.901
202 HA LEU 32 HA LEU 32 0.565 6.425 0.070
203 HB2 LEU 32 1HB LEU 32 2.019 9.065 0.029
204 HB3 LEU 32 2HB LEU 32 1.115 8.388 1.382
205 HG LEU 32 HG LEU 32 3.203 7.847 2.070
206 HD11 LEU 32 1HD1 LEU 32 3.808 5.544 1.409
207 HD12 LEU 32 2HD1 LEU 32 2.605 5.626 0.123
208 HD13 LEU 32 3HD1 LEU 32 2.099 5.723 1.809
209 HD21 LEU 32 3HD2 LEU 32 4.962 7.121 0.246
210 HD22 LEU 32 1HD2 LEU 32 4.633 8.822 0.576
211 HD23 LEU 32 2HD2 LEU 32 3.892 8.036 -0.818
212 H ARG 33 H ARG 33 0.752 8.826 -2.463
213 HA ARG 33 HA ARG 33 -1.372 10.472 -1.913
214 HB2 ARG 33 1HB ARG 33 -0.437 9.361 -4.558
215 HB3 ARG 33 2HB ARG 33 -1.667 10.611 -4.426
216 HG2 ARG 33 1HG ARG 33 0.037 11.962 -3.133
217 HG3 ARG 33 2HG ARG 33 1.229 10.770 -3.653
218 HD2 ARG 33 1HD ARG 33 -0.479 12.516 -5.421
219 HD3 ARG 33 2HD ARG 33 1.259 12.654 -5.161
220 HE ARG 33 HE ARG 33 1.067 10.172 -6.118
221 HH11 ARG 33 1HH1 ARG 33 -0.354 13.159 -7.204
222 HH12 ARG 33 2HH1 ARG 33 -0.389 12.688 -8.871
223 HH21 ARG 33 1HH2 ARG 33 1.027 9.540 -8.310
224 HH22 ARG 33 2HH2 ARG 33 0.396 10.629 -9.499
225 H LEU 34 H LEU 34 -1.436 7.171 -3.090
226 HA LEU 34 HA LEU 34 -4.233 7.163 -3.700
227 HB2 LEU 34 1HB LEU 34 -3.934 4.706 -3.850
228 HB3 LEU 34 2HB LEU 34 -2.818 5.629 -4.855
229 HG LEU 34 HG LEU 34 -1.175 5.303 -2.860
230 HD11 LEU 34 1HD1 LEU 34 -1.914 4.091 -1.160
231 HD12 LEU 34 2HD1 LEU 34 -2.075 2.711 -2.245
232 HD13 LEU 34 3HD1 LEU 34 -3.442 3.795 -1.989
233 HD21 LEU 34 3HD2 LEU 34 -0.964 4.359 -5.145
234 HD22 LEU 34 1HD2 LEU 34 -1.898 2.960 -4.615
235 HD23 LEU 34 2HD2 LEU 34 -0.329 3.301 -3.885
236 H HIS 35 H HIS 35 -2.265 6.364 -0.913
237 HA HIS 35 HA HIS 35 -4.153 4.941 0.585
238 HB2 HIS 35 1HB HIS 35 -1.682 6.478 1.201
239 HB3 HIS 35 2HB HIS 35 -2.760 6.113 2.545
240 HD1 HIS 35 HD1 HIS 35 -3.453 3.391 2.564
241 HD2 HIS 35 HD2 HIS 35 0.132 4.525 0.796
242 HE1 HIS 35 HE1 HIS 35 -2.048 1.306 2.495
243 H SER 36 H SER 36 -3.715 8.374 0.072
244 HA SER 36 HA SER 36 -5.621 9.101 2.126
245 HB2 SER 36 1HB SER 36 -5.112 11.358 1.600
246 HB3 SER 36 2HB SER 36 -3.585 10.489 1.441
247 HG SER 36 HG SER 36 -3.541 11.028 -0.581
248 H ARG 37 H ARG 37 -6.705 7.347 0.230
249 HA ARG 37 HA ARG 37 -8.595 9.097 -1.204
250 HB2 ARG 37 1HB ARG 37 -8.762 7.543 -2.939
251 HB3 ARG 37 2HB ARG 37 -7.049 7.526 -2.544
252 HG2 ARG 37 1HG ARG 37 -7.369 5.495 -1.225
253 HG3 ARG 37 2HG ARG 37 -9.089 5.514 -1.619
254 HD2 ARG 37 1HD ARG 37 -8.406 5.440 -4.048
255 HD3 ARG 37 2HD ARG 37 -6.765 5.120 -3.490
256 HE ARG 37 HE ARG 37 -8.131 3.204 -2.233
257 HH11 ARG 37 1HH1 ARG 37 -8.217 4.281 -5.543
258 HH12 ARG 37 2HH1 ARG 37 -8.644 2.725 -6.174
259 HH21 ARG 37 1HH2 ARG 37 -8.694 1.151 -3.053
260 HH22 ARG 37 2HH2 ARG 37 -8.916 0.946 -4.757
261 H GLU 38 H GLU 38 -8.232 6.131 0.682
262 HA GLU 38 HA GLU 38 -11.137 6.162 1.172
263 HB2 GLU 38 1HB GLU 38 -10.877 3.753 1.761
264 HB3 GLU 38 2HB GLU 38 -10.501 4.117 0.083
265 HG2 GLU 38 1HG GLU 38 -8.069 4.224 0.816
266 HG3 GLU 38 2HG GLU 38 -8.609 3.479 2.319
267 H LYS 39 H LYS 39 -10.367 7.897 2.750
268 HA LYS 39 HA LYS 39 -9.470 6.663 5.268
269 HB2 LYS 39 1HB LYS 39 -9.397 9.579 4.470
270 HB3 LYS 39 2HB LYS 39 -8.767 8.898 5.964
271 HG2 LYS 39 1HG LYS 39 -7.735 7.823 3.397
272 HG3 LYS 39 2HG LYS 39 -7.206 9.428 3.907
273 HD2 LYS 39 1HD LYS 39 -7.094 7.065 5.758
274 HD3 LYS 39 2HD LYS 39 -5.787 7.417 4.625
275 HE2 LYS 39 1HE LYS 39 -5.556 9.654 5.610
276 HE3 LYS 39 2HE LYS 39 -6.844 9.277 6.753
277 HZ1 LYS 39 3HZ LYS 39 -4.074 8.547 6.825
278 HZ2 LYS 39 1HZ LYS 39 -5.097 7.220 7.056
279 HZ3 LYS 39 2HZ LYS 39 -5.217 8.567 8.072
280 H SER 40 H SER 40 -10.892 6.479 6.866
281 HA SER 40 HA SER 40 -13.585 7.240 6.598
282 HB2 SER 40 1HB SER 40 -12.417 5.440 8.134
283 HB3 SER 40 2HB SER 40 -12.403 6.758 9.306
284 HG SER 40 HG SER 40 -14.717 5.864 7.927
285 H SER 41 H SER 41 -14.757 8.575 8.284
286 HA SER 41 HA SER 41 -13.282 11.090 8.702
287 HB2 SER 41 1HB SER 41 -15.338 10.983 7.116
288 HB3 SER 41 2HB SER 41 -16.282 10.914 8.604
289 HG SER 41 HG SER 41 -14.327 12.908 8.184
290 H GLY 42 H GLY 42 -12.499 10.245 10.738
291 HA2 GLY 42 1HA GLY 42 -13.135 11.133 13.028
292 HA3 GLY 42 2HA GLY 42 -14.575 10.145 12.835
293 HA PRO 43 HA PRO 43 -12.459 6.873 14.860
294 HB2 PRO 43 1HB PRO 43 -13.898 4.766 13.933
295 HB3 PRO 43 2HB PRO 43 -14.523 5.902 15.135
296 HG2 PRO 43 1HG PRO 43 -15.015 5.804 12.183
297 HG3 PRO 43 2HG PRO 43 -16.166 6.094 13.501
298 HD2 PRO 43 1HD PRO 43 -15.131 8.098 12.003
299 HD3 PRO 43 2HD PRO 43 -15.558 8.307 13.714
300 H SER 44 H SER 44 -10.453 7.116 13.708
301 HA SER 44 HA SER 44 -10.124 5.438 11.330
302 HB2 SER 44 1HB SER 44 -8.425 7.592 12.583
303 HB3 SER 44 2HB SER 44 -7.799 6.527 11.324
304 HG SER 44 HG SER 44 -10.181 8.030 11.026
305 H SER 45 H SER 45 -8.249 6.101 14.295
306 HA SER 45 HA SER 45 -7.302 3.320 14.218
307 HB2 SER 45 1HB SER 45 -5.638 5.253 14.216
308 HB3 SER 45 2HB SER 45 -6.137 5.555 15.880
309 HG SER 45 HG SER 45 -4.299 4.191 15.760
310 H GLY 46 H GLY 46 -8.114 1.923 15.628
311 HA2 GLY 46 1HA GLY 46 -10.122 2.347 17.415
312 HA3 GLY 46 2HA GLY 46 -8.937 1.063 17.605
Start of MODEL 3
1 H1 GLY 1 H GLY 1 9.773 -10.435 6.302
2 HA2 GLY 1 1HA GLY 1 8.334 -12.882 6.658
3 HA3 GLY 1 2HA GLY 1 9.406 -12.489 5.321
4 H SER 2 H SER 2 9.312 -15.029 6.437
5 HA SER 2 HA SER 2 11.606 -15.259 8.217
6 HB2 SER 2 1HB SER 2 9.671 -17.308 7.119
7 HB3 SER 2 2HB SER 2 11.036 -17.712 8.159
8 HG SER 2 HG SER 2 9.361 -17.437 9.530
9 H SER 3 H SER 3 13.180 -17.085 7.685
10 HA SER 3 HA SER 3 14.804 -16.462 5.615
11 HB2 SER 3 1HB SER 3 15.491 -18.050 7.311
12 HB3 SER 3 2HB SER 3 14.302 -19.224 6.749
13 HG SER 3 HG SER 3 16.780 -18.580 5.720
14 H GLY 4 H GLY 4 14.817 -16.632 3.461
15 HA2 GLY 4 1HA GLY 4 14.119 -18.512 1.737
16 HA3 GLY 4 2HA GLY 4 12.527 -17.911 2.177
17 H SER 5 H SER 5 11.720 -16.325 0.978
18 HA SER 5 HA SER 5 13.233 -15.206 -1.161
19 HB2 SER 5 1HB SER 5 10.436 -14.965 -0.161
20 HB3 SER 5 2HB SER 5 11.040 -13.688 -1.216
21 HG SER 5 HG SER 5 10.203 -16.136 -1.875
22 H SER 6 H SER 6 14.970 -14.158 -0.088
23 HA SER 6 HA SER 6 14.232 -11.689 1.336
24 HB2 SER 6 1HB SER 6 15.749 -13.503 2.420
25 HB3 SER 6 2HB SER 6 16.999 -12.866 1.352
26 HG SER 6 HG SER 6 15.527 -11.427 3.306
27 H GLY 7 H GLY 7 15.814 -9.858 1.014
28 HA2 GLY 7 1HA GLY 7 16.545 -9.720 -1.846
29 HA3 GLY 7 2HA GLY 7 15.969 -8.347 -0.911
30 H SER 8 H SER 8 18.159 -7.805 -2.196
31 HA SER 8 HA SER 8 20.348 -8.144 -0.251
32 HB2 SER 8 1HB SER 8 20.490 -7.814 -3.256
33 HB3 SER 8 2HB SER 8 21.893 -7.775 -2.189
34 HG SER 8 HG SER 8 21.290 -9.865 -3.217
35 H GLY 9 H GLY 9 19.596 -6.284 0.899
36 HA2 GLY 9 1HA GLY 9 20.474 -4.066 1.304
37 HA3 GLY 9 2HA GLY 9 20.389 -3.772 -0.426
38 H GLU 10 H GLU 10 18.831 -3.397 2.543
39 HA GLU 10 HA GLU 10 16.129 -3.337 1.773
40 HB2 GLU 10 1HB GLU 10 17.647 -1.986 3.995
41 HB3 GLU 10 2HB GLU 10 15.917 -1.757 3.783
42 HG2 GLU 10 1HG GLU 10 15.453 -4.013 4.227
43 HG3 GLU 10 2HG GLU 10 17.141 -4.482 4.033
44 H ARG 11 H ARG 11 14.864 -1.816 0.850
45 HA ARG 11 HA ARG 11 15.933 0.128 -0.811
46 HB2 ARG 11 1HB ARG 11 13.175 -0.120 0.391
47 HB3 ARG 11 2HB ARG 11 13.588 1.081 -0.826
48 HG2 ARG 11 1HG ARG 11 13.828 -1.899 -1.186
49 HG3 ARG 11 2HG ARG 11 12.495 -0.903 -1.775
50 HD2 ARG 11 1HD ARG 11 14.105 0.397 -3.120
51 HD3 ARG 11 2HD ARG 11 15.395 -0.673 -2.572
52 HE ARG 11 HE ARG 11 14.641 -2.289 -4.024
53 HH11 ARG 11 1HH1 ARG 11 12.294 0.271 -3.790
54 HH12 ARG 11 2HH1 ARG 11 11.341 -0.304 -5.117
55 HH21 ARG 11 1HH2 ARG 11 13.395 -3.057 -5.773
56 HH22 ARG 11 2HH2 ARG 11 11.967 -2.198 -6.244
57 HA PRO 12 HA PRO 12 16.871 3.616 1.682
58 HB2 PRO 12 1HB PRO 12 16.239 5.656 0.005
59 HB3 PRO 12 2HB PRO 12 17.655 4.624 -0.229
60 HG2 PRO 12 1HG PRO 12 14.974 4.492 -1.555
61 HG3 PRO 12 2HG PRO 12 16.587 4.316 -2.272
62 HD2 PRO 12 1HD PRO 12 15.015 2.191 -1.683
63 HD3 PRO 12 2HD PRO 12 16.787 2.122 -1.594
64 H PHE 13 H PHE 13 13.669 3.337 0.310
65 HA PHE 13 HA PHE 13 12.612 4.862 2.587
66 HB2 PHE 13 1HB PHE 13 11.752 5.114 -0.300
67 HB3 PHE 13 2HB PHE 13 10.837 5.765 1.056
68 HD1 PHE 13 HD1 PHE 13 13.912 6.068 -0.919
69 HD2 PHE 13 HD2 PHE 13 11.556 7.735 2.210
70 HE1 PHE 13 HE1 PHE 13 15.257 8.127 -1.008
71 HE2 PHE 13 HE2 PHE 13 12.896 9.796 2.125
72 HZ PHE 13 HZ PHE 13 14.749 9.995 0.515
73 H LYS 14 H LYS 14 10.303 4.397 3.016
74 HA LYS 14 HA LYS 14 9.212 1.960 1.909
75 HB2 LYS 14 1HB LYS 14 10.638 0.956 3.544
76 HB3 LYS 14 2HB LYS 14 10.155 2.120 4.771
77 HG2 LYS 14 1HG LYS 14 7.937 1.174 4.855
78 HG3 LYS 14 2HG LYS 14 8.329 0.069 3.536
79 HD2 LYS 14 1HD LYS 14 10.088 0.029 5.925
80 HD3 LYS 14 2HD LYS 14 8.470 -0.655 6.095
81 HE2 LYS 14 1HE LYS 14 8.905 -2.095 4.143
82 HE3 LYS 14 2HE LYS 14 10.538 -1.439 4.042
83 HZ1 LYS 14 3HZ LYS 14 9.656 -2.618 6.577
84 HZ2 LYS 14 1HZ LYS 14 11.205 -2.557 5.898
85 HZ3 LYS 14 2HZ LYS 14 10.065 -3.656 5.306
86 H CYS 15 H CYS 15 7.050 1.468 2.833
87 HA CYS 15 HA CYS 15 5.689 3.971 3.549
88 HB2 CYS 15 1HB CYS 15 4.909 2.942 1.479
89 HB3 CYS 15 2HB CYS 15 4.600 1.429 2.324
90 H ASN 16 H ASN 16 4.841 4.211 5.508
91 HA ASN 16 HA ASN 16 5.004 2.066 7.421
92 HB2 ASN 16 1HB ASN 16 5.357 4.663 7.744
93 HB3 ASN 16 2HB ASN 16 3.618 4.648 8.023
94 HD21 ASN 16 1HD2 ASN 16 6.679 4.082 9.340
95 HD22 ASN 16 2HD2 ASN 16 6.174 3.434 10.860
96 H GLU 17 H GLU 17 2.653 3.222 5.258
97 HA GLU 17 HA GLU 17 0.310 2.583 6.737
98 HB2 GLU 17 1HB GLU 17 0.543 2.614 3.731
99 HB3 GLU 17 2HB GLU 17 -0.886 2.925 4.707
100 HG2 GLU 17 1HG GLU 17 1.548 4.680 4.797
101 HG3 GLU 17 2HG GLU 17 0.228 4.930 3.654
102 H CYS 18 H CYS 18 1.874 0.908 4.000
103 HA CYS 18 HA CYS 18 0.659 -1.597 4.969
104 HB2 CYS 18 1HB CYS 18 0.764 -2.406 2.654
105 HB3 CYS 18 2HB CYS 18 -0.181 -0.924 2.766
106 H GLY 19 H GLY 19 3.533 -0.245 3.369
107 HA2 GLY 19 1HA GLY 19 5.647 -0.939 4.590
108 HA3 GLY 19 2HA GLY 19 5.059 -2.577 4.343
109 H LYS 20 H LYS 20 4.390 -0.390 1.806
110 HA LYS 20 HA LYS 20 6.015 -1.872 -0.020
111 HB2 LYS 20 1HB LYS 20 3.744 -0.547 -0.363
112 HB3 LYS 20 2HB LYS 20 4.840 0.767 -0.767
113 HG2 LYS 20 1HG LYS 20 4.513 -1.877 -2.145
114 HG3 LYS 20 2HG LYS 20 4.297 -0.254 -2.806
115 HD2 LYS 20 1HD LYS 20 6.804 0.050 -2.231
116 HD3 LYS 20 2HD LYS 20 6.833 -1.714 -2.162
117 HE2 LYS 20 1HE LYS 20 6.413 -1.941 -4.411
118 HE3 LYS 20 2HE LYS 20 5.600 -0.381 -4.526
119 HZ1 LYS 20 3HZ LYS 20 8.523 -0.766 -4.163
120 HZ2 LYS 20 1HZ LYS 20 7.728 0.720 -4.324
121 HZ3 LYS 20 2HZ LYS 20 7.763 -0.366 -5.621
122 H GLY 21 H GLY 21 8.026 -1.472 -0.706
123 HA2 GLY 21 1HA GLY 21 9.254 1.088 0.112
124 HA3 GLY 21 2HA GLY 21 10.126 -0.435 0.027
125 H PHE 22 H PHE 22 10.391 2.280 -1.334
126 HA PHE 22 HA PHE 22 10.566 1.232 -4.081
127 HB2 PHE 22 1HB PHE 22 9.980 4.088 -3.272
128 HB3 PHE 22 2HB PHE 22 10.114 3.486 -4.921
129 HD1 PHE 22 HD2 PHE 22 8.206 2.797 -1.790
130 HD2 PHE 22 HD1 PHE 22 8.180 2.976 -6.043
131 HE1 PHE 22 HE2 PHE 22 5.800 2.286 -1.793
132 HE2 PHE 22 HE1 PHE 22 5.773 2.465 -6.053
133 HZ PHE 22 HZ PHE 22 4.580 2.118 -3.926
134 H GLY 23 H GLY 23 12.130 2.689 -5.417
135 HA2 GLY 23 1HA GLY 23 14.658 2.649 -3.984
136 HA3 GLY 23 2HA GLY 23 14.440 2.873 -5.714
137 H ARG 24 H ARG 24 12.767 5.026 -5.839
138 HA ARG 24 HA ARG 24 14.503 7.149 -4.805
139 HB2 ARG 24 1HB ARG 24 12.355 7.316 -6.925
140 HB3 ARG 24 2HB ARG 24 13.516 8.570 -6.510
141 HG2 ARG 24 1HG ARG 24 15.337 7.047 -7.234
142 HG3 ARG 24 2HG ARG 24 14.106 5.904 -7.774
143 HD2 ARG 24 1HD ARG 24 13.278 7.448 -9.392
144 HD3 ARG 24 2HD ARG 24 14.267 8.753 -8.737
145 HE ARG 24 HE ARG 24 15.094 6.708 -10.574
146 HH11 ARG 24 1HH1 ARG 24 16.155 8.938 -8.120
147 HH12 ARG 24 2HH1 ARG 24 17.784 9.012 -8.707
148 HH21 ARG 24 1HH2 ARG 24 17.235 6.797 -11.356
149 HH22 ARG 24 2HH2 ARG 24 18.397 7.794 -10.548
150 H ARG 25 H ARG 25 13.560 9.092 -3.934
151 HA ARG 25 HA ARG 25 11.601 8.592 -1.975
152 HB2 ARG 25 1HB ARG 25 13.469 10.444 -2.165
153 HB3 ARG 25 2HB ARG 25 12.171 11.378 -2.897
154 HG2 ARG 25 1HG ARG 25 11.860 10.038 -0.231
155 HG3 ARG 25 2HG ARG 25 12.545 11.655 -0.402
156 HD2 ARG 25 1HD ARG 25 9.925 10.999 -1.682
157 HD3 ARG 25 2HD ARG 25 9.994 11.357 0.043
158 HE ARG 25 HE ARG 25 10.326 13.214 -2.133
159 HH11 ARG 25 1HH1 ARG 25 10.958 12.577 1.231
160 HH12 ARG 25 2HH1 ARG 25 11.129 14.249 1.650
161 HH21 ARG 25 1HH2 ARG 25 10.548 15.419 -1.593
162 HH22 ARG 25 2HH2 ARG 25 10.895 15.865 0.043
163 H SER 26 H SER 26 11.392 10.838 -4.743
164 HA SER 26 HA SER 26 8.701 11.409 -4.580
165 HB2 SER 26 1HB SER 26 8.860 12.284 -6.749
166 HB3 SER 26 2HB SER 26 10.519 12.369 -6.160
167 HG SER 26 HG SER 26 11.102 10.904 -7.570
168 H HIS 27 H HIS 27 10.264 8.556 -5.829
169 HA HIS 27 HA HIS 27 8.123 7.492 -7.312
170 HB2 HIS 27 1HB HIS 27 10.563 6.332 -6.018
171 HB3 HIS 27 2HB HIS 27 9.332 5.252 -6.666
172 HD1 HIS 27 HD1 HIS 27 11.014 4.430 -8.474
173 HD2 HIS 27 HD2 HIS 27 10.091 8.475 -8.691
174 HE1 HIS 27 HE1 HIS 27 11.849 5.191 -10.721
175 H LEU 28 H LEU 28 8.963 7.290 -3.896
176 HA LEU 28 HA LEU 28 6.797 5.461 -3.321
177 HB2 LEU 28 1HB LEU 28 8.586 5.070 -1.924
178 HB3 LEU 28 2HB LEU 28 8.954 6.784 -1.745
179 HG LEU 28 HG LEU 28 6.781 6.905 -0.380
180 HD11 LEU 28 1HD1 LEU 28 6.624 4.234 -1.165
181 HD12 LEU 28 2HD1 LEU 28 5.618 5.059 0.024
182 HD13 LEU 28 3HD1 LEU 28 7.063 4.192 0.543
183 HD21 LEU 28 3HD2 LEU 28 8.856 5.233 0.965
184 HD22 LEU 28 1HD2 LEU 28 7.984 6.643 1.566
185 HD23 LEU 28 2HD2 LEU 28 9.275 6.844 0.381
186 H ALA 29 H ALA 29 7.577 8.859 -2.644
187 HA ALA 29 HA ALA 29 5.582 9.711 -1.066
188 HB1 ALA 29 3HB ALA 29 7.344 10.948 -2.782
189 HB2 ALA 29 1HB ALA 29 5.766 11.463 -3.381
190 HB3 ALA 29 2HB ALA 29 6.211 11.756 -1.699
191 H GLY 30 H GLY 30 5.236 8.962 -4.512
192 HA2 GLY 30 1HA GLY 30 2.517 9.773 -4.701
193 HA3 GLY 30 2HA GLY 30 3.371 8.745 -5.841
194 H HIS 31 H HIS 31 4.077 6.718 -3.916
195 HA HIS 31 HA HIS 31 1.873 5.023 -4.152
196 HB2 HIS 31 1HB HIS 31 4.066 4.091 -3.857
197 HB3 HIS 31 2HB HIS 31 4.261 4.900 -2.305
198 HD1 HIS 31 HD1 HIS 31 2.331 2.082 -3.913
199 HD2 HIS 31 HD2 HIS 31 3.299 3.516 -0.135
200 HE1 HIS 31 HE1 HIS 31 1.567 0.307 -2.304
201 H LEU 32 H LEU 32 2.554 7.469 -1.846
202 HA LEU 32 HA LEU 32 0.668 6.408 0.107
203 HB2 LEU 32 1HB LEU 32 2.287 8.950 0.141
204 HB3 LEU 32 2HB LEU 32 1.321 8.323 1.475
205 HG LEU 32 HG LEU 32 3.357 7.609 2.165
206 HD11 LEU 32 1HD1 LEU 32 3.669 5.296 1.712
207 HD12 LEU 32 2HD1 LEU 32 2.845 5.425 0.158
208 HD13 LEU 32 3HD1 LEU 32 1.934 5.610 1.657
209 HD21 LEU 32 3HD2 LEU 32 5.215 7.826 0.951
210 HD22 LEU 32 1HD2 LEU 32 4.174 8.456 -0.326
211 HD23 LEU 32 2HD2 LEU 32 4.616 6.749 -0.312
212 H ARG 33 H ARG 33 0.857 8.770 -2.421
213 HA ARG 33 HA ARG 33 -1.214 10.494 -1.688
214 HB2 ARG 33 1HB ARG 33 -0.266 9.626 -4.422
215 HB3 ARG 33 2HB ARG 33 -1.420 10.926 -4.155
216 HG2 ARG 33 1HG ARG 33 0.314 12.066 -2.760
217 HG3 ARG 33 2HG ARG 33 1.456 10.827 -3.286
218 HD2 ARG 33 1HD ARG 33 -0.006 12.825 -5.002
219 HD3 ARG 33 2HD ARG 33 1.728 12.744 -4.693
220 HE ARG 33 HE ARG 33 0.993 10.323 -5.828
221 HH11 ARG 33 1HH1 ARG 33 1.036 13.689 -6.715
222 HH12 ARG 33 2HH1 ARG 33 1.257 13.375 -8.405
223 HH21 ARG 33 1HH2 ARG 33 1.283 9.897 -8.050
224 HH22 ARG 33 2HH2 ARG 33 1.396 11.218 -9.163
225 H LEU 34 H LEU 34 -1.280 7.304 -3.116
226 HA LEU 34 HA LEU 34 -4.061 7.399 -3.822
227 HB2 LEU 34 1HB LEU 34 -3.815 5.048 -4.337
228 HB3 LEU 34 2HB LEU 34 -2.483 5.975 -5.024
229 HG LEU 34 HG LEU 34 -1.227 5.223 -2.856
230 HD11 LEU 34 1HD1 LEU 34 -2.161 2.708 -2.601
231 HD12 LEU 34 2HD1 LEU 34 -3.671 3.584 -2.845
232 HD13 LEU 34 3HD1 LEU 34 -2.594 4.034 -1.523
233 HD21 LEU 34 3HD2 LEU 34 -0.302 4.522 -4.848
234 HD22 LEU 34 1HD2 LEU 34 -1.769 3.688 -5.360
235 HD23 LEU 34 2HD2 LEU 34 -0.749 2.985 -4.105
236 H HIS 35 H HIS 35 -2.185 6.396 -1.054
237 HA HIS 35 HA HIS 35 -4.089 4.812 0.254
238 HB2 HIS 35 1HB HIS 35 -1.677 6.344 1.083
239 HB3 HIS 35 2HB HIS 35 -2.791 5.845 2.351
240 HD1 HIS 35 HD1 HIS 35 -3.408 3.121 2.144
241 HD2 HIS 35 HD2 HIS 35 0.187 4.468 0.557
242 HE1 HIS 35 HE1 HIS 35 -1.953 1.079 1.947
243 H SER 36 H SER 36 -3.743 8.276 -0.007
244 HA SER 36 HA SER 36 -5.474 8.982 2.123
245 HB2 SER 36 1HB SER 36 -5.358 11.199 1.289
246 HB3 SER 36 2HB SER 36 -3.791 10.483 0.916
247 HG SER 36 HG SER 36 -5.759 11.377 -0.769
248 H ARG 37 H ARG 37 -5.997 8.007 -1.170
249 HA ARG 37 HA ARG 37 -8.561 9.027 -1.605
250 HB2 ARG 37 1HB ARG 37 -7.351 8.092 -3.442
251 HB3 ARG 37 2HB ARG 37 -7.207 6.536 -2.635
252 HG2 ARG 37 1HG ARG 37 -9.851 6.665 -2.720
253 HG3 ARG 37 2HG ARG 37 -9.500 7.716 -4.094
254 HD2 ARG 37 1HD ARG 37 -8.512 6.023 -5.307
255 HD3 ARG 37 2HD ARG 37 -8.103 5.090 -3.868
256 HE ARG 37 HE ARG 37 -10.201 4.131 -3.916
257 HH11 ARG 37 1HH1 ARG 37 -10.021 6.741 -6.213
258 HH12 ARG 37 2HH1 ARG 37 -11.515 6.335 -6.989
259 HH21 ARG 37 1HH2 ARG 37 -12.170 3.586 -4.930
260 HH22 ARG 37 2HH2 ARG 37 -12.738 4.540 -6.258
261 H GLU 38 H GLU 38 -7.469 6.255 0.220
262 HA GLU 38 HA GLU 38 -10.236 5.407 0.683
263 HB2 GLU 38 1HB GLU 38 -7.569 4.090 1.103
264 HB3 GLU 38 2HB GLU 38 -9.007 3.487 1.914
265 HG2 GLU 38 1HG GLU 38 -8.999 3.892 -1.045
266 HG3 GLU 38 2HG GLU 38 -8.283 2.447 -0.334
267 H LYS 39 H LYS 39 -9.620 7.818 1.836
268 HA LYS 39 HA LYS 39 -9.250 7.168 4.685
269 HB2 LYS 39 1HB LYS 39 -7.751 8.894 3.363
270 HB3 LYS 39 2HB LYS 39 -9.109 9.972 3.659
271 HG2 LYS 39 1HG LYS 39 -7.641 10.369 5.426
272 HG3 LYS 39 2HG LYS 39 -8.880 9.314 6.111
273 HD2 LYS 39 1HD LYS 39 -7.451 7.419 5.995
274 HD3 LYS 39 2HD LYS 39 -6.275 8.285 5.003
275 HE2 LYS 39 1HE LYS 39 -5.318 8.297 7.127
276 HE3 LYS 39 2HE LYS 39 -6.075 9.885 7.004
277 HZ1 LYS 39 3HZ LYS 39 -6.958 7.538 8.559
278 HZ2 LYS 39 1HZ LYS 39 -8.055 8.753 8.131
279 HZ3 LYS 39 2HZ LYS 39 -6.709 9.127 9.084
280 H SER 40 H SER 40 -10.549 8.412 6.222
281 HA SER 40 HA SER 40 -13.184 9.124 5.109
282 HB2 SER 40 1HB SER 40 -12.479 7.622 7.627
283 HB3 SER 40 2HB SER 40 -14.054 8.382 7.405
284 HG SER 40 HG SER 40 -12.904 6.468 5.651
285 H SER 41 H SER 41 -14.019 11.050 5.653
286 HA SER 41 HA SER 41 -12.495 12.687 7.565
287 HB2 SER 41 1HB SER 41 -13.476 14.639 6.371
288 HB3 SER 41 2HB SER 41 -12.498 13.615 5.319
289 HG SER 41 HG SER 41 -14.248 13.719 4.128
290 H GLY 42 H GLY 42 -13.416 12.974 9.478
291 HA2 GLY 42 1HA GLY 42 -16.359 13.179 9.594
292 HA3 GLY 42 2HA GLY 42 -15.466 12.212 10.759
293 HA PRO 43 HA PRO 43 -15.654 16.933 11.781
294 HB2 PRO 43 1HB PRO 43 -18.085 17.173 12.965
295 HB3 PRO 43 2HB PRO 43 -17.821 17.473 11.243
296 HG2 PRO 43 1HG PRO 43 -18.904 15.032 12.597
297 HG3 PRO 43 2HG PRO 43 -19.470 15.837 11.123
298 HD2 PRO 43 1HD PRO 43 -17.938 13.605 11.067
299 HD3 PRO 43 2HD PRO 43 -17.845 14.859 9.814
300 H SER 44 H SER 44 -16.337 17.791 14.121
301 HA SER 44 HA SER 44 -14.740 16.563 15.982
302 HB2 SER 44 1HB SER 44 -17.101 18.400 16.264
303 HB3 SER 44 2HB SER 44 -16.287 17.769 17.696
304 HG SER 44 HG SER 44 -15.490 19.707 15.951
305 H SER 45 H SER 45 -14.840 14.708 17.044
306 HA SER 45 HA SER 45 -17.467 13.590 17.731
307 HB2 SER 45 1HB SER 45 -15.178 12.074 16.456
308 HB3 SER 45 2HB SER 45 -16.617 11.319 17.139
309 HG SER 45 HG SER 45 -16.330 12.202 14.708
310 H GLY 46 H GLY 46 -17.238 11.762 19.349
311 HA2 GLY 46 1HA GLY 46 -15.681 12.716 21.556
312 HA3 GLY 46 2HA GLY 46 -16.703 11.287 21.543
Start of MODEL 4
1 H1 GLY 1 H GLY 1 10.532 -19.311 8.177
2 HA2 GLY 1 1HA GLY 1 13.413 -19.237 7.517
3 HA3 GLY 1 2HA GLY 1 12.154 -18.934 6.328
4 H SER 2 H SER 2 13.840 -17.665 9.118
5 HA SER 2 HA SER 2 13.394 -14.973 8.219
6 HB2 SER 2 1HB SER 2 12.286 -14.158 10.236
7 HB3 SER 2 2HB SER 2 11.304 -15.409 9.475
8 HG SER 2 HG SER 2 12.980 -16.565 11.195
9 H SER 3 H SER 3 14.326 -13.405 9.987
10 HA SER 3 HA SER 3 16.219 -12.674 11.020
11 HB2 SER 3 1HB SER 3 15.901 -15.413 12.240
12 HB3 SER 3 2HB SER 3 17.198 -14.322 12.727
13 HG SER 3 HG SER 3 14.408 -13.982 12.994
14 H GLY 4 H GLY 4 16.608 -13.581 8.423
15 HA2 GLY 4 1HA GLY 4 19.344 -14.672 8.624
16 HA3 GLY 4 2HA GLY 4 18.226 -15.234 7.390
17 H SER 5 H SER 5 20.441 -14.412 6.346
18 HA SER 5 HA SER 5 20.000 -11.618 5.517
19 HB2 SER 5 1HB SER 5 22.592 -13.182 5.461
20 HB3 SER 5 2HB SER 5 22.388 -11.487 5.021
21 HG SER 5 HG SER 5 21.938 -12.619 7.587
22 H SER 6 H SER 6 18.484 -12.333 3.920
23 HA SER 6 HA SER 6 19.716 -13.723 1.634
24 HB2 SER 6 1HB SER 6 16.770 -13.444 2.276
25 HB3 SER 6 2HB SER 6 17.470 -14.384 0.959
26 HG SER 6 HG SER 6 17.590 -14.868 3.737
27 H GLY 7 H GLY 7 20.661 -11.782 0.838
28 HA2 GLY 7 1HA GLY 7 19.621 -10.529 -1.252
29 HA3 GLY 7 2HA GLY 7 18.854 -9.630 0.049
30 H SER 8 H SER 8 19.902 -7.721 -0.648
31 HA SER 8 HA SER 8 22.785 -7.649 -0.038
32 HB2 SER 8 1HB SER 8 22.892 -5.684 -1.577
33 HB3 SER 8 2HB SER 8 22.424 -7.179 -2.386
34 HG SER 8 HG SER 8 21.129 -5.287 -2.911
35 H GLY 9 H GLY 9 19.752 -5.812 0.109
36 HA2 GLY 9 1HA GLY 9 20.346 -4.824 2.718
37 HA3 GLY 9 2HA GLY 9 20.593 -3.581 1.500
38 H GLU 10 H GLU 10 18.919 -2.274 2.198
39 HA GLU 10 HA GLU 10 16.242 -3.272 1.532
40 HB2 GLU 10 1HB GLU 10 17.099 -1.952 4.092
41 HB3 GLU 10 2HB GLU 10 15.441 -1.819 3.522
42 HG2 GLU 10 1HG GLU 10 15.120 -4.169 3.651
43 HG3 GLU 10 2HG GLU 10 16.836 -4.447 3.943
44 H ARG 11 H ARG 11 14.906 -1.807 0.556
45 HA ARG 11 HA ARG 11 15.859 0.203 -0.989
46 HB2 ARG 11 1HB ARG 11 13.151 -0.091 0.298
47 HB3 ARG 11 2HB ARG 11 13.506 1.196 -0.846
48 HG2 ARG 11 1HG ARG 11 13.927 -1.702 -1.504
49 HG3 ARG 11 2HG ARG 11 12.390 -0.877 -1.768
50 HD2 ARG 11 1HD ARG 11 13.338 -0.543 -3.812
51 HD3 ARG 11 2HD ARG 11 13.962 0.878 -2.975
52 HE ARG 11 HE ARG 11 16.078 -0.048 -3.016
53 HH11 ARG 11 1HH1 ARG 11 13.721 -2.369 -4.100
54 HH12 ARG 11 2HH1 ARG 11 14.902 -3.482 -4.704
55 HH21 ARG 11 1HH2 ARG 11 17.644 -1.506 -3.808
56 HH22 ARG 11 2HH2 ARG 11 17.134 -2.991 -4.537
57 HA PRO 12 HA PRO 12 16.913 3.682 1.469
58 HB2 PRO 12 1HB PRO 12 16.196 5.734 -0.157
59 HB3 PRO 12 2HB PRO 12 17.597 4.704 -0.471
60 HG2 PRO 12 1HG PRO 12 14.852 4.581 -1.659
61 HG3 PRO 12 2HG PRO 12 16.425 4.412 -2.459
62 HD2 PRO 12 1HD PRO 12 14.886 2.282 -1.806
63 HD3 PRO 12 2HD PRO 12 16.660 2.212 -1.809
64 H PHE 13 H PHE 13 13.645 3.403 0.271
65 HA PHE 13 HA PHE 13 12.707 4.908 2.611
66 HB2 PHE 13 1HB PHE 13 11.762 5.222 -0.239
67 HB3 PHE 13 2HB PHE 13 10.834 5.789 1.146
68 HD1 PHE 13 HD1 PHE 13 14.107 6.139 -0.561
69 HD2 PHE 13 HD2 PHE 13 11.270 7.871 2.097
70 HE1 PHE 13 HE1 PHE 13 15.380 8.244 -0.579
71 HE2 PHE 13 HE2 PHE 13 12.538 9.979 2.083
72 HZ PHE 13 HZ PHE 13 14.596 10.168 0.743
73 H LYS 14 H LYS 14 10.342 4.490 3.036
74 HA LYS 14 HA LYS 14 9.256 2.023 2.002
75 HB2 LYS 14 1HB LYS 14 10.687 1.040 3.634
76 HB3 LYS 14 2HB LYS 14 10.248 2.241 4.842
77 HG2 LYS 14 1HG LYS 14 9.138 0.248 5.436
78 HG3 LYS 14 2HG LYS 14 7.911 1.318 4.755
79 HD2 LYS 14 1HD LYS 14 7.405 -0.643 3.674
80 HD3 LYS 14 2HD LYS 14 8.533 0.076 2.522
81 HE2 LYS 14 1HE LYS 14 9.133 -2.219 2.812
82 HE3 LYS 14 2HE LYS 14 10.359 -1.232 3.606
83 HZ1 LYS 14 3HZ LYS 14 9.130 -1.631 5.719
84 HZ2 LYS 14 1HZ LYS 14 9.825 -3.020 5.046
85 HZ3 LYS 14 2HZ LYS 14 8.163 -2.749 4.897
86 H CYS 15 H CYS 15 7.064 1.698 2.569
87 HA CYS 15 HA CYS 15 5.711 4.159 3.323
88 HB2 CYS 15 1HB CYS 15 4.874 3.040 1.357
89 HB3 CYS 15 2HB CYS 15 4.688 1.529 2.240
90 H ASN 16 H ASN 16 4.918 4.537 5.281
91 HA ASN 16 HA ASN 16 5.019 2.453 7.292
92 HB2 ASN 16 1HB ASN 16 4.732 5.415 7.291
93 HB3 ASN 16 2HB ASN 16 4.048 4.540 8.658
94 HD21 ASN 16 1HD2 ASN 16 5.832 6.062 9.535
95 HD22 ASN 16 2HD2 ASN 16 7.373 5.317 9.770
96 H GLU 17 H GLU 17 3.016 2.361 5.107
97 HA GLU 17 HA GLU 17 0.567 2.429 6.746
98 HB2 GLU 17 1HB GLU 17 0.604 2.465 3.736
99 HB3 GLU 17 2HB GLU 17 -0.714 2.895 4.817
100 HG2 GLU 17 1HG GLU 17 1.840 4.457 4.775
101 HG3 GLU 17 2HG GLU 17 0.542 4.776 3.626
102 H CYS 18 H CYS 18 2.000 0.727 3.957
103 HA CYS 18 HA CYS 18 0.681 -1.733 4.904
104 HB2 CYS 18 1HB CYS 18 0.839 -2.518 2.546
105 HB3 CYS 18 2HB CYS 18 -0.169 -1.087 2.735
106 H GLY 19 H GLY 19 3.626 -0.442 3.403
107 HA2 GLY 19 1HA GLY 19 5.709 -1.239 4.558
108 HA3 GLY 19 2HA GLY 19 5.047 -2.854 4.351
109 H LYS 20 H LYS 20 4.804 -0.339 1.924
110 HA LYS 20 HA LYS 20 6.304 -2.034 0.082
111 HB2 LYS 20 1HB LYS 20 4.158 -1.231 -0.703
112 HB3 LYS 20 2HB LYS 20 4.617 0.434 -0.369
113 HG2 LYS 20 1HG LYS 20 4.793 0.095 -2.711
114 HG3 LYS 20 2HG LYS 20 6.433 0.189 -2.067
115 HD2 LYS 20 1HD LYS 20 6.480 -1.620 -3.561
116 HD3 LYS 20 2HD LYS 20 6.352 -2.363 -1.965
117 HE2 LYS 20 1HE LYS 20 3.922 -2.582 -2.288
118 HE3 LYS 20 2HE LYS 20 4.086 -1.887 -3.900
119 HZ1 LYS 20 3HZ LYS 20 4.017 -4.227 -4.138
120 HZ2 LYS 20 1HZ LYS 20 5.181 -4.467 -2.932
121 HZ3 LYS 20 2HZ LYS 20 5.623 -3.767 -4.408
122 H GLY 21 H GLY 21 8.168 -1.422 -0.958
123 HA2 GLY 21 1HA GLY 21 9.399 1.090 -0.001
124 HA3 GLY 21 2HA GLY 21 10.308 -0.396 -0.232
125 H PHE 22 H PHE 22 10.775 2.216 -1.418
126 HA PHE 22 HA PHE 22 10.696 1.390 -4.231
127 HB2 PHE 22 1HB PHE 22 10.052 4.181 -3.257
128 HB3 PHE 22 2HB PHE 22 10.133 3.665 -4.938
129 HD1 PHE 22 HD2 PHE 22 8.350 2.916 -1.758
130 HD2 PHE 22 HD1 PHE 22 8.209 2.984 -6.011
131 HE1 PHE 22 HE2 PHE 22 5.964 2.320 -1.684
132 HE2 PHE 22 HE1 PHE 22 5.822 2.389 -5.945
133 HZ PHE 22 HZ PHE 22 4.697 2.055 -3.779
134 H GLY 23 H GLY 23 12.316 2.441 -5.572
135 HA2 GLY 23 1HA GLY 23 14.824 2.649 -4.195
136 HA3 GLY 23 2HA GLY 23 14.566 2.823 -5.925
137 H ARG 24 H ARG 24 12.667 4.935 -5.809
138 HA ARG 24 HA ARG 24 14.448 7.125 -4.982
139 HB2 ARG 24 1HB ARG 24 12.261 7.056 -7.068
140 HB3 ARG 24 2HB ARG 24 13.165 8.496 -6.622
141 HG2 ARG 24 1HG ARG 24 15.168 7.643 -7.513
142 HG3 ARG 24 2HG ARG 24 14.508 6.011 -7.634
143 HD2 ARG 24 1HD ARG 24 14.548 6.955 -9.829
144 HD3 ARG 24 2HD ARG 24 12.868 6.875 -9.301
145 HE ARG 24 HE ARG 24 13.525 9.368 -8.607
146 HH11 ARG 24 1HH1 ARG 24 14.050 7.592 -11.555
147 HH12 ARG 24 2HH1 ARG 24 13.991 8.997 -12.566
148 HH21 ARG 24 1HH2 ARG 24 13.445 11.226 -9.928
149 HH22 ARG 24 2HH2 ARG 24 13.647 11.064 -11.640
150 H ARG 25 H ARG 25 13.635 8.898 -3.856
151 HA ARG 25 HA ARG 25 11.697 8.384 -1.915
152 HB2 ARG 25 1HB ARG 25 13.084 10.071 -1.238
153 HB3 ARG 25 2HB ARG 25 13.180 10.782 -2.843
154 HG2 ARG 25 1HG ARG 25 12.030 12.216 -1.195
155 HG3 ARG 25 2HG ARG 25 11.023 11.801 -2.584
156 HD2 ARG 25 1HD ARG 25 9.643 10.450 -1.352
157 HD3 ARG 25 2HD ARG 25 10.897 10.061 -0.175
158 HE ARG 25 HE ARG 25 9.976 12.804 -0.147
159 HH11 ARG 25 1HH1 ARG 25 9.631 9.597 1.161
160 HH12 ARG 25 2HH1 ARG 25 8.870 10.133 2.622
161 HH21 ARG 25 1HH2 ARG 25 8.976 13.523 1.773
162 HH22 ARG 25 2HH2 ARG 25 8.498 12.367 2.969
163 H SER 26 H SER 26 11.443 10.705 -4.616
164 HA SER 26 HA SER 26 8.767 11.325 -4.341
165 HB2 SER 26 1HB SER 26 9.920 12.664 -5.867
166 HB3 SER 26 2HB SER 26 10.614 11.278 -6.709
167 HG SER 26 HG SER 26 8.659 10.892 -7.672
168 H HIS 27 H HIS 27 10.250 8.541 -5.873
169 HA HIS 27 HA HIS 27 8.054 7.546 -7.278
170 HB2 HIS 27 1HB HIS 27 10.548 6.378 -6.155
171 HB3 HIS 27 2HB HIS 27 9.269 5.257 -6.611
172 HD1 HIS 27 HD1 HIS 27 10.933 4.404 -8.484
173 HD2 HIS 27 HD2 HIS 27 9.600 8.314 -8.929
174 HE1 HIS 27 HE1 HIS 27 11.476 5.033 -10.857
175 H LEU 28 H LEU 28 8.879 7.354 -3.879
176 HA LEU 28 HA LEU 28 6.766 5.464 -3.299
177 HB2 LEU 28 1HB LEU 28 8.551 5.136 -1.884
178 HB3 LEU 28 2HB LEU 28 8.876 6.861 -1.725
179 HG LEU 28 HG LEU 28 6.683 6.939 -0.380
180 HD11 LEU 28 1HD1 LEU 28 6.530 4.303 -1.143
181 HD12 LEU 28 2HD1 LEU 28 5.617 5.058 0.163
182 HD13 LEU 28 3HD1 LEU 28 7.120 4.205 0.516
183 HD21 LEU 28 3HD2 LEU 28 9.292 6.753 0.332
184 HD22 LEU 28 1HD2 LEU 28 8.609 5.368 1.185
185 HD23 LEU 28 2HD2 LEU 28 7.962 6.985 1.467
186 H ALA 29 H ALA 29 7.459 8.878 -2.586
187 HA ALA 29 HA ALA 29 5.426 9.691 -1.054
188 HB1 ALA 29 3HB ALA 29 6.432 11.036 -3.552
189 HB2 ALA 29 1HB ALA 29 5.352 11.811 -2.393
190 HB3 ALA 29 2HB ALA 29 6.964 11.299 -1.891
191 H GLY 30 H GLY 30 5.124 8.927 -4.502
192 HA2 GLY 30 1HA GLY 30 2.392 9.665 -4.726
193 HA3 GLY 30 2HA GLY 30 3.277 8.631 -5.838
194 H HIS 31 H HIS 31 4.000 6.621 -3.946
195 HA HIS 31 HA HIS 31 1.832 4.895 -4.148
196 HB2 HIS 31 1HB HIS 31 4.027 3.996 -3.817
197 HB3 HIS 31 2HB HIS 31 4.211 4.850 -2.288
198 HD1 HIS 31 HD1 HIS 31 2.345 1.950 -3.817
199 HD2 HIS 31 HD2 HIS 31 3.246 3.524 -0.079
200 HE1 HIS 31 HE1 HIS 31 1.601 0.212 -2.159
201 H LEU 32 H LEU 32 2.446 7.384 -1.867
202 HA LEU 32 HA LEU 32 0.560 6.316 0.082
203 HB2 LEU 32 1HB LEU 32 2.154 8.875 0.075
204 HB3 LEU 32 2HB LEU 32 1.146 8.305 1.403
205 HG LEU 32 HG LEU 32 3.152 7.607 2.185
206 HD11 LEU 32 1HD1 LEU 32 3.618 5.243 1.505
207 HD12 LEU 32 2HD1 LEU 32 2.375 5.421 0.267
208 HD13 LEU 32 3HD1 LEU 32 1.947 5.566 1.971
209 HD21 LEU 32 3HD2 LEU 32 4.157 8.517 -0.097
210 HD22 LEU 32 1HD2 LEU 32 4.347 6.791 -0.405
211 HD23 LEU 32 2HD2 LEU 32 5.101 7.521 1.012
212 H ARG 33 H ARG 33 0.747 8.698 -2.446
213 HA ARG 33 HA ARG 33 -1.328 10.405 -1.806
214 HB2 ARG 33 1HB ARG 33 -0.132 9.454 -4.365
215 HB3 ARG 33 2HB ARG 33 -1.651 10.338 -4.445
216 HG2 ARG 33 1HG ARG 33 -0.506 12.126 -3.049
217 HG3 ARG 33 2HG ARG 33 1.001 11.282 -3.410
218 HD2 ARG 33 1HD ARG 33 0.987 12.758 -5.145
219 HD3 ARG 33 2HD ARG 33 0.069 11.446 -5.883
220 HE ARG 33 HE ARG 33 -1.509 13.444 -4.507
221 HH11 ARG 33 1HH1 ARG 33 -0.131 12.383 -7.522
222 HH12 ARG 33 2HH1 ARG 33 -1.242 13.285 -8.498
223 HH21 ARG 33 1HH2 ARG 33 -2.979 14.636 -5.781
224 HH22 ARG 33 2HH2 ARG 33 -2.861 14.567 -7.507
225 H LEU 34 H LEU 34 -1.452 7.155 -3.127
226 HA LEU 34 HA LEU 34 -4.250 7.213 -3.716
227 HB2 LEU 34 1HB LEU 34 -3.989 4.754 -3.946
228 HB3 LEU 34 2HB LEU 34 -2.876 5.698 -4.934
229 HG LEU 34 HG LEU 34 -1.250 5.282 -2.901
230 HD11 LEU 34 1HD1 LEU 34 -3.405 3.249 -2.568
231 HD12 LEU 34 2HD1 LEU 34 -2.493 4.136 -1.347
232 HD13 LEU 34 3HD1 LEU 34 -1.733 2.807 -2.221
233 HD21 LEU 34 3HD2 LEU 34 -1.145 4.505 -5.342
234 HD22 LEU 34 1HD2 LEU 34 -1.787 2.975 -4.742
235 HD23 LEU 34 2HD2 LEU 34 -0.242 3.579 -4.142
236 H HIS 35 H HIS 35 -2.297 6.341 -0.952
237 HA HIS 35 HA HIS 35 -4.190 4.868 0.499
238 HB2 HIS 35 1HB HIS 35 -1.716 6.381 1.163
239 HB3 HIS 35 2HB HIS 35 -2.798 5.980 2.494
240 HD1 HIS 35 HD1 HIS 35 -3.575 3.218 2.209
241 HD2 HIS 35 HD2 HIS 35 0.171 4.479 0.931
242 HE1 HIS 35 HE1 HIS 35 -2.155 1.144 2.139
243 H SER 36 H SER 36 -3.687 8.327 0.163
244 HA SER 36 HA SER 36 -5.960 8.816 1.965
245 HB2 SER 36 1HB SER 36 -5.111 10.995 2.354
246 HB3 SER 36 2HB SER 36 -3.701 9.937 2.397
247 HG SER 36 HG SER 36 -2.921 11.096 0.844
248 H ARG 37 H ARG 37 -6.457 7.860 -0.627
249 HA ARG 37 HA ARG 37 -6.981 9.912 -2.496
250 HB2 ARG 37 1HB ARG 37 -8.397 8.237 -3.626
251 HB3 ARG 37 2HB ARG 37 -6.824 7.587 -3.185
252 HG2 ARG 37 1HG ARG 37 -8.056 6.745 -1.061
253 HG3 ARG 37 2HG ARG 37 -9.509 6.985 -2.034
254 HD2 ARG 37 1HD ARG 37 -7.182 5.453 -3.127
255 HD3 ARG 37 2HD ARG 37 -8.333 4.673 -2.044
256 HE ARG 37 HE ARG 37 -9.498 6.050 -4.306
257 HH11 ARG 37 1HH1 ARG 37 -8.293 3.046 -3.023
258 HH12 ARG 37 2HH1 ARG 37 -9.169 2.063 -4.149
259 HH21 ARG 37 1HH2 ARG 37 -10.657 4.767 -5.794
260 HH22 ARG 37 2HH2 ARG 37 -10.513 3.043 -5.725
261 H GLU 38 H GLU 38 -9.175 8.155 -0.301
262 HA GLU 38 HA GLU 38 -11.300 10.057 -0.830
263 HB2 GLU 38 1HB GLU 38 -11.570 7.515 -0.477
264 HB3 GLU 38 2HB GLU 38 -11.388 7.873 1.235
265 HG2 GLU 38 1HG GLU 38 -13.696 7.791 0.842
266 HG3 GLU 38 2HG GLU 38 -13.296 9.503 0.968
267 H LYS 39 H LYS 39 -9.406 8.981 1.982
268 HA LYS 39 HA LYS 39 -10.351 10.380 4.042
269 HB2 LYS 39 1HB LYS 39 -8.078 9.091 3.727
270 HB3 LYS 39 2HB LYS 39 -7.425 10.710 3.514
271 HG2 LYS 39 1HG LYS 39 -7.949 11.342 5.691
272 HG3 LYS 39 2HG LYS 39 -9.111 10.029 5.892
273 HD2 LYS 39 1HD LYS 39 -7.045 8.493 5.560
274 HD3 LYS 39 2HD LYS 39 -6.118 9.940 5.962
275 HE2 LYS 39 1HE LYS 39 -7.860 10.031 7.963
276 HE3 LYS 39 2HE LYS 39 -7.924 8.297 7.656
277 HZ1 LYS 39 3HZ LYS 39 -5.326 8.593 7.695
278 HZ2 LYS 39 1HZ LYS 39 -6.209 8.376 9.122
279 HZ3 LYS 39 2HZ LYS 39 -5.714 9.926 8.662
280 H SER 40 H SER 40 -8.274 11.827 1.542
281 HA SER 40 HA SER 40 -8.765 14.484 2.618
282 HB2 SER 40 1HB SER 40 -6.535 13.515 1.574
283 HB3 SER 40 2HB SER 40 -7.279 14.034 0.061
284 HG SER 40 HG SER 40 -7.111 16.083 0.657
285 H SER 41 H SER 41 -9.672 16.193 1.389
286 HA SER 41 HA SER 41 -11.246 17.153 0.057
287 HB2 SER 41 1HB SER 41 -10.400 14.910 -1.788
288 HB3 SER 41 2HB SER 41 -11.494 16.208 -2.264
289 HG SER 41 HG SER 41 -9.137 16.458 -2.705
290 H GLY 42 H GLY 42 -12.128 15.348 2.045
291 HA2 GLY 42 1HA GLY 42 -14.776 14.800 1.020
292 HA3 GLY 42 2HA GLY 42 -13.870 13.363 1.470
293 HA PRO 43 HA PRO 43 -16.171 14.866 5.205
294 HB2 PRO 43 1HB PRO 43 -17.121 12.419 5.896
295 HB3 PRO 43 2HB PRO 43 -17.952 13.485 4.758
296 HG2 PRO 43 1HG PRO 43 -16.168 11.146 4.205
297 HG3 PRO 43 2HG PRO 43 -17.699 11.594 3.430
298 HD2 PRO 43 1HD PRO 43 -15.292 12.109 2.303
299 HD3 PRO 43 2HD PRO 43 -16.699 13.167 2.074
300 H SER 44 H SER 44 -13.944 15.203 5.959
301 HA SER 44 HA SER 44 -13.134 13.061 7.798
302 HB2 SER 44 1HB SER 44 -10.794 13.396 7.285
303 HB3 SER 44 2HB SER 44 -11.654 13.064 5.781
304 HG SER 44 HG SER 44 -10.937 14.901 5.091
305 H SER 45 H SER 45 -12.773 16.480 6.920
306 HA SER 45 HA SER 45 -13.034 17.212 9.721
307 HB2 SER 45 1HB SER 45 -10.541 16.875 9.116
308 HB3 SER 45 2HB SER 45 -10.714 18.362 8.183
309 HG SER 45 HG SER 45 -11.147 19.474 10.028
310 H GLY 46 H GLY 46 -13.777 19.312 10.044
311 HA2 GLY 46 1HA GLY 46 -15.238 20.438 7.867
312 HA3 GLY 46 2HA GLY 46 -15.102 21.110 9.484
Start of MODEL 5
1 H1 GLY 1 H GLY 1 5.068 -6.192 17.143
2 HA2 GLY 1 1HA GLY 1 5.417 -8.224 15.925
3 HA3 GLY 1 2HA GLY 1 3.680 -8.488 15.936
4 H SER 2 H SER 2 6.306 -6.698 14.463
5 HA SER 2 HA SER 2 4.870 -6.556 11.977
6 HB2 SER 2 1HB SER 2 5.583 -3.978 13.398
7 HB3 SER 2 2HB SER 2 4.961 -4.106 11.753
8 HG SER 2 HG SER 2 3.361 -3.644 13.413
9 H SER 3 H SER 3 6.447 -7.397 10.765
10 HA SER 3 HA SER 3 9.214 -6.579 11.184
11 HB2 SER 3 1HB SER 3 9.808 -8.408 9.721
12 HB3 SER 3 2HB SER 3 8.613 -8.992 10.879
13 HG SER 3 HG SER 3 7.077 -8.335 9.068
14 H GLY 4 H GLY 4 10.451 -5.486 9.703
15 HA2 GLY 4 1HA GLY 4 9.281 -4.761 7.128
16 HA3 GLY 4 2HA GLY 4 9.612 -3.444 8.243
17 H SER 5 H SER 5 11.384 -6.388 7.293
18 HA SER 5 HA SER 5 13.475 -4.831 6.061
19 HB2 SER 5 1HB SER 5 14.041 -6.371 8.606
20 HB3 SER 5 2HB SER 5 15.269 -5.663 7.556
21 HG SER 5 HG SER 5 13.817 -4.490 9.487
22 H SER 6 H SER 6 14.337 -5.960 4.441
23 HA SER 6 HA SER 6 14.248 -8.897 4.557
24 HB2 SER 6 1HB SER 6 12.382 -7.897 3.145
25 HB3 SER 6 2HB SER 6 13.639 -7.334 2.044
26 HG SER 6 HG SER 6 13.776 -9.277 1.275
27 H GLY 7 H GLY 7 15.683 -9.909 2.882
28 HA2 GLY 7 1HA GLY 7 18.208 -8.421 2.813
29 HA3 GLY 7 2HA GLY 7 18.027 -10.158 2.615
30 H SER 8 H SER 8 16.001 -10.153 0.656
31 HA SER 8 HA SER 8 17.260 -10.314 -1.690
32 HB2 SER 8 1HB SER 8 14.846 -10.779 -1.375
33 HB3 SER 8 2HB SER 8 14.526 -9.045 -1.396
34 HG SER 8 HG SER 8 15.990 -9.978 -3.536
35 H GLY 9 H GLY 9 15.657 -7.284 -0.682
36 HA2 GLY 9 1HA GLY 9 17.827 -5.734 -1.823
37 HA3 GLY 9 2HA GLY 9 16.291 -5.580 -2.662
38 H GLU 10 H GLU 10 18.150 -4.657 0.071
39 HA GLU 10 HA GLU 10 16.011 -3.590 1.633
40 HB2 GLU 10 1HB GLU 10 19.001 -3.253 1.691
41 HB3 GLU 10 2HB GLU 10 17.952 -2.332 2.759
42 HG2 GLU 10 1HG GLU 10 16.993 -4.634 3.423
43 HG3 GLU 10 2HG GLU 10 18.468 -5.274 2.702
44 H ARG 11 H ARG 11 14.761 -2.098 0.656
45 HA ARG 11 HA ARG 11 15.778 -0.111 -1.120
46 HB2 ARG 11 1HB ARG 11 13.107 -0.463 0.239
47 HB3 ARG 11 2HB ARG 11 13.451 0.864 -0.863
48 HG2 ARG 11 1HG ARG 11 13.744 -2.029 -1.626
49 HG3 ARG 11 2HG ARG 11 12.260 -1.103 -1.863
50 HD2 ARG 11 1HD ARG 11 13.278 0.339 -3.408
51 HD3 ARG 11 2HD ARG 11 14.901 -0.148 -2.922
52 HE ARG 11 HE ARG 11 13.273 -2.243 -4.078
53 HH11 ARG 11 1HH1 ARG 11 15.631 0.259 -4.628
54 HH12 ARG 11 2HH1 ARG 11 16.210 -0.431 -6.108
55 HH21 ARG 11 1HH2 ARG 11 14.026 -3.161 -6.025
56 HH22 ARG 11 2HH2 ARG 11 15.296 -2.376 -6.902
57 HA PRO 12 HA PRO 12 16.943 3.102 1.633
58 HB2 PRO 12 1HB PRO 12 16.225 5.305 0.219
59 HB3 PRO 12 2HB PRO 12 17.604 4.290 -0.219
60 HG2 PRO 12 1HG PRO 12 14.835 4.314 -1.354
61 HG3 PRO 12 2HG PRO 12 16.389 4.199 -2.199
62 HD2 PRO 12 1HD PRO 12 14.831 2.038 -1.714
63 HD3 PRO 12 2HD PRO 12 16.603 1.946 -1.761
64 H PHE 13 H PHE 13 13.760 3.748 0.150
65 HA PHE 13 HA PHE 13 12.871 4.907 2.696
66 HB2 PHE 13 1HB PHE 13 11.772 5.127 -0.109
67 HB3 PHE 13 2HB PHE 13 10.933 5.750 1.309
68 HD1 PHE 13 HD1 PHE 13 14.307 5.916 -0.277
69 HD2 PHE 13 HD2 PHE 13 11.224 7.964 1.825
70 HE1 PHE 13 HE1 PHE 13 15.586 8.011 -0.449
71 HE2 PHE 13 HE2 PHE 13 12.497 10.062 1.655
72 HZ PHE 13 HZ PHE 13 14.680 10.088 0.517
73 H LYS 14 H LYS 14 10.437 4.534 3.102
74 HA LYS 14 HA LYS 14 9.416 1.970 2.261
75 HB2 LYS 14 1HB LYS 14 11.079 1.616 4.223
76 HB3 LYS 14 2HB LYS 14 9.811 2.319 5.219
77 HG2 LYS 14 1HG LYS 14 9.072 0.089 3.407
78 HG3 LYS 14 2HG LYS 14 10.023 -0.287 4.845
79 HD2 LYS 14 1HD LYS 14 7.549 1.398 5.026
80 HD3 LYS 14 2HD LYS 14 7.449 -0.365 5.009
81 HE2 LYS 14 1HE LYS 14 7.616 -0.076 7.251
82 HE3 LYS 14 2HE LYS 14 9.338 -0.069 6.873
83 HZ1 LYS 14 3HZ LYS 14 7.744 2.003 7.969
84 HZ2 LYS 14 1HZ LYS 14 8.483 2.531 6.541
85 HZ3 LYS 14 2HZ LYS 14 9.426 1.923 7.807
86 H CYS 15 H CYS 15 7.218 1.703 2.698
87 HA CYS 15 HA CYS 15 5.836 4.177 3.380
88 HB2 CYS 15 1HB CYS 15 5.080 3.147 1.356
89 HB3 CYS 15 2HB CYS 15 4.906 1.583 2.146
90 H ASN 16 H ASN 16 4.690 4.491 5.193
91 HA ASN 16 HA ASN 16 4.796 2.441 7.245
92 HB2 ASN 16 1HB ASN 16 3.874 5.320 7.290
93 HB3 ASN 16 2HB ASN 16 3.827 4.258 8.694
94 HD21 ASN 16 1HD2 ASN 16 5.822 3.448 9.519
95 HD22 ASN 16 2HD2 ASN 16 7.287 4.331 9.275
96 H GLU 17 H GLU 17 2.564 3.668 4.960
97 HA GLU 17 HA GLU 17 0.134 3.169 6.294
98 HB2 GLU 17 1HB GLU 17 0.585 2.932 3.320
99 HB3 GLU 17 2HB GLU 17 -0.912 3.331 4.149
100 HG2 GLU 17 1HG GLU 17 1.500 5.082 4.394
101 HG3 GLU 17 2HG GLU 17 0.410 5.213 3.016
102 H CYS 18 H CYS 18 1.862 1.180 3.888
103 HA CYS 18 HA CYS 18 0.514 -1.182 5.025
104 HB2 CYS 18 1HB CYS 18 0.556 -2.203 2.812
105 HB3 CYS 18 2HB CYS 18 -0.287 -0.659 2.749
106 H GLY 19 H GLY 19 3.434 -0.008 3.383
107 HA2 GLY 19 1HA GLY 19 5.507 -0.679 4.691
108 HA3 GLY 19 2HA GLY 19 4.893 -2.315 4.504
109 H LYS 20 H LYS 20 4.348 -0.202 1.867
110 HA LYS 20 HA LYS 20 5.823 -1.812 0.074
111 HB2 LYS 20 1HB LYS 20 3.849 -0.460 -0.572
112 HB3 LYS 20 2HB LYS 20 4.796 1.003 -0.335
113 HG2 LYS 20 1HG LYS 20 4.751 0.555 -2.662
114 HG3 LYS 20 2HG LYS 20 6.373 0.163 -2.087
115 HD2 LYS 20 1HD LYS 20 5.911 -1.670 -3.400
116 HD3 LYS 20 2HD LYS 20 5.373 -2.241 -1.819
117 HE2 LYS 20 1HE LYS 20 3.425 -0.840 -3.588
118 HE3 LYS 20 2HE LYS 20 3.857 -2.510 -3.953
119 HZ1 LYS 20 3HZ LYS 20 3.336 -2.870 -1.460
120 HZ2 LYS 20 1HZ LYS 20 2.061 -2.760 -2.566
121 HZ3 LYS 20 2HZ LYS 20 2.460 -1.430 -1.601
122 H GLY 21 H GLY 21 7.611 -1.112 -1.301
123 HA2 GLY 21 1HA GLY 21 9.361 0.889 -0.029
124 HA3 GLY 21 2HA GLY 21 9.980 -0.715 -0.393
125 H PHE 22 H PHE 22 10.602 2.093 -1.382
126 HA PHE 22 HA PHE 22 10.626 1.380 -4.229
127 HB2 PHE 22 1HB PHE 22 9.996 4.141 -3.162
128 HB3 PHE 22 2HB PHE 22 10.124 3.689 -4.859
129 HD1 PHE 22 HD2 PHE 22 8.222 2.858 -1.770
130 HD2 PHE 22 HD1 PHE 22 8.226 3.080 -6.020
131 HE1 PHE 22 HE2 PHE 22 5.825 2.306 -1.797
132 HE2 PHE 22 HE1 PHE 22 5.828 2.528 -6.055
133 HZ PHE 22 HZ PHE 22 4.625 2.139 -3.941
134 H GLY 23 H GLY 23 12.285 2.550 -5.469
135 HA2 GLY 23 1HA GLY 23 14.752 2.633 -3.985
136 HA3 GLY 23 2HA GLY 23 14.566 2.866 -5.717
137 H ARG 24 H ARG 24 12.772 5.003 -5.729
138 HA ARG 24 HA ARG 24 14.505 7.136 -4.690
139 HB2 ARG 24 1HB ARG 24 12.507 7.111 -6.954
140 HB3 ARG 24 2HB ARG 24 13.302 8.568 -6.376
141 HG2 ARG 24 1HG ARG 24 15.475 7.619 -6.954
142 HG3 ARG 24 2HG ARG 24 14.679 6.152 -7.529
143 HD2 ARG 24 1HD ARG 24 13.872 7.163 -9.412
144 HD3 ARG 24 2HD ARG 24 13.784 8.751 -8.652
145 HE ARG 24 HE ARG 24 16.479 7.954 -8.929
146 HH11 ARG 24 1HH1 ARG 24 13.758 9.069 -10.792
147 HH12 ARG 24 2HH1 ARG 24 14.734 9.800 -12.023
148 HH21 ARG 24 1HH2 ARG 24 17.775 8.913 -10.542
149 HH22 ARG 24 2HH2 ARG 24 17.019 9.710 -11.880
150 H ARG 25 H ARG 25 13.545 9.028 -3.769
151 HA ARG 25 HA ARG 25 11.527 8.483 -1.890
152 HB2 ARG 25 1HB ARG 25 12.852 10.199 -1.159
153 HB3 ARG 25 2HB ARG 25 13.029 10.890 -2.767
154 HG2 ARG 25 1HG ARG 25 11.766 12.324 -1.201
155 HG3 ARG 25 2HG ARG 25 10.851 11.884 -2.644
156 HD2 ARG 25 1HD ARG 25 9.407 10.540 -1.487
157 HD3 ARG 25 2HD ARG 25 10.596 10.151 -0.244
158 HE ARG 25 HE ARG 25 9.811 11.908 0.979
159 HH11 ARG 25 1HH1 ARG 25 8.868 12.354 -2.343
160 HH12 ARG 25 2HH1 ARG 25 7.899 13.753 -2.016
161 HH21 ARG 25 1HH2 ARG 25 8.539 13.749 1.421
162 HH22 ARG 25 2HH2 ARG 25 7.714 14.546 0.125
163 H SER 26 H SER 26 11.396 10.795 -4.608
164 HA SER 26 HA SER 26 8.710 11.380 -4.512
165 HB2 SER 26 1HB SER 26 9.963 12.684 -6.000
166 HB3 SER 26 2HB SER 26 10.669 11.275 -6.791
167 HG SER 26 HG SER 26 9.151 11.675 -8.205
168 H HIS 27 H HIS 27 10.273 8.521 -5.745
169 HA HIS 27 HA HIS 27 8.150 7.492 -7.283
170 HB2 HIS 27 1HB HIS 27 10.558 6.296 -5.961
171 HB3 HIS 27 2HB HIS 27 9.332 5.236 -6.650
172 HD1 HIS 27 HD1 HIS 27 10.873 4.397 -8.518
173 HD2 HIS 27 HD2 HIS 27 10.325 8.516 -8.527
174 HE1 HIS 27 HE1 HIS 27 11.801 5.194 -10.715
175 H LEU 28 H LEU 28 8.904 7.300 -3.854
176 HA LEU 28 HA LEU 28 6.739 5.452 -3.329
177 HB2 LEU 28 1HB LEU 28 8.470 5.056 -1.877
178 HB3 LEU 28 2HB LEU 28 8.872 6.765 -1.722
179 HG LEU 28 HG LEU 28 6.645 6.928 -0.414
180 HD11 LEU 28 1HD1 LEU 28 5.586 5.067 0.260
181 HD12 LEU 28 2HD1 LEU 28 7.083 4.157 0.455
182 HD13 LEU 28 3HD1 LEU 28 6.364 4.337 -1.145
183 HD21 LEU 28 3HD2 LEU 28 8.268 5.474 1.410
184 HD22 LEU 28 1HD2 LEU 28 8.087 7.220 1.245
185 HD23 LEU 28 2HD2 LEU 28 9.327 6.372 0.321
186 H ALA 29 H ALA 29 7.490 8.852 -2.631
187 HA ALA 29 HA ALA 29 5.461 9.701 -1.100
188 HB1 ALA 29 3HB ALA 29 6.917 10.924 -3.349
189 HB2 ALA 29 1HB ALA 29 5.407 11.712 -2.891
190 HB3 ALA 29 2HB ALA 29 6.687 11.496 -1.696
191 H GLY 30 H GLY 30 5.181 8.958 -4.555
192 HA2 GLY 30 1HA GLY 30 2.458 9.742 -4.786
193 HA3 GLY 30 2HA GLY 30 3.341 8.727 -5.916
194 H HIS 31 H HIS 31 4.035 6.695 -3.997
195 HA HIS 31 HA HIS 31 1.846 4.985 -4.273
196 HB2 HIS 31 1HB HIS 31 4.028 4.050 -3.961
197 HB3 HIS 31 2HB HIS 31 4.226 4.873 -2.416
198 HD1 HIS 31 HD1 HIS 31 2.252 2.060 -3.992
199 HD2 HIS 31 HD2 HIS 31 3.317 3.481 -0.236
200 HE1 HIS 31 HE1 HIS 31 1.507 0.291 -2.368
201 H LEU 32 H LEU 32 2.507 7.398 -1.916
202 HA LEU 32 HA LEU 32 0.615 6.313 0.010
203 HB2 LEU 32 1HB LEU 32 2.202 8.877 0.031
204 HB3 LEU 32 2HB LEU 32 1.205 8.282 1.357
205 HG LEU 32 HG LEU 32 3.221 7.582 2.114
206 HD11 LEU 32 1HD1 LEU 32 2.017 5.542 1.884
207 HD12 LEU 32 2HD1 LEU 32 3.685 5.229 1.405
208 HD13 LEU 32 3HD1 LEU 32 2.436 5.417 0.175
209 HD21 LEU 32 3HD2 LEU 32 5.132 7.687 0.944
210 HD22 LEU 32 1HD2 LEU 32 4.134 8.438 -0.302
211 HD23 LEU 32 2HD2 LEU 32 4.492 6.713 -0.381
212 H ARG 33 H ARG 33 0.817 8.804 -2.430
213 HA ARG 33 HA ARG 33 -1.245 10.488 -1.787
214 HB2 ARG 33 1HB ARG 33 -0.108 9.518 -4.362
215 HB3 ARG 33 2HB ARG 33 -1.629 10.398 -4.423
216 HG2 ARG 33 1HG ARG 33 -0.442 12.187 -3.037
217 HG3 ARG 33 2HG ARG 33 1.049 11.352 -3.479
218 HD2 ARG 33 1HD ARG 33 0.935 12.857 -5.190
219 HD3 ARG 33 2HD ARG 33 0.011 11.535 -5.902
220 HE ARG 33 HE ARG 33 -1.879 12.831 -5.788
221 HH11 ARG 33 1HH1 ARG 33 0.638 14.277 -3.865
222 HH12 ARG 33 2HH1 ARG 33 -0.234 15.750 -3.596
223 HH21 ARG 33 1HH2 ARG 33 -3.037 14.766 -5.441
224 HH22 ARG 33 2HH2 ARG 33 -2.324 16.027 -4.492
225 H LEU 34 H LEU 34 -1.444 7.252 -3.156
226 HA LEU 34 HA LEU 34 -4.270 7.356 -3.611
227 HB2 LEU 34 1HB LEU 34 -4.058 4.929 -3.992
228 HB3 LEU 34 2HB LEU 34 -2.925 5.886 -4.945
229 HG LEU 34 HG LEU 34 -1.243 5.323 -3.050
230 HD11 LEU 34 1HD1 LEU 34 -3.560 3.646 -2.381
231 HD12 LEU 34 2HD1 LEU 34 -2.230 4.208 -1.369
232 HD13 LEU 34 3HD1 LEU 34 -2.009 2.806 -2.416
233 HD21 LEU 34 3HD2 LEU 34 -0.944 4.529 -5.286
234 HD22 LEU 34 1HD2 LEU 34 -2.214 3.322 -5.083
235 HD23 LEU 34 2HD2 LEU 34 -0.701 3.170 -4.188
236 H HIS 35 H HIS 35 -2.190 6.413 -0.975
237 HA HIS 35 HA HIS 35 -4.046 4.896 0.507
238 HB2 HIS 35 1HB HIS 35 -1.478 6.281 1.089
239 HB3 HIS 35 2HB HIS 35 -2.494 5.853 2.463
240 HD1 HIS 35 HD1 HIS 35 -3.356 3.150 2.192
241 HD2 HIS 35 HD2 HIS 35 0.278 4.316 0.549
242 HE1 HIS 35 HE1 HIS 35 -2.034 1.029 1.910
243 H SER 36 H SER 36 -3.829 8.245 -0.111
244 HA SER 36 HA SER 36 -5.422 8.961 2.231
245 HB2 SER 36 1HB SER 36 -3.612 10.476 1.744
246 HB3 SER 36 2HB SER 36 -4.135 10.640 0.067
247 HG SER 36 HG SER 36 -6.141 11.511 0.999
248 H ARG 37 H ARG 37 -5.603 9.047 -1.310
249 HA ARG 37 HA ARG 37 -7.877 10.286 -1.907
250 HB2 ARG 37 1HB ARG 37 -7.989 9.043 -3.822
251 HB3 ARG 37 2HB ARG 37 -6.380 8.580 -3.287
252 HG2 ARG 37 1HG ARG 37 -7.253 6.536 -2.326
253 HG3 ARG 37 2HG ARG 37 -8.895 7.010 -2.768
254 HD2 ARG 37 1HD ARG 37 -6.669 6.652 -4.765
255 HD3 ARG 37 2HD ARG 37 -7.790 5.366 -4.317
256 HE ARG 37 HE ARG 37 -8.289 7.482 -6.127
257 HH11 ARG 37 1HH1 ARG 37 -9.818 5.588 -3.637
258 HH12 ARG 37 2HH1 ARG 37 -11.412 5.779 -4.289
259 HH21 ARG 37 1HH2 ARG 37 -10.383 7.741 -6.995
260 HH22 ARG 37 2HH2 ARG 37 -11.732 7.003 -6.199
261 H GLU 38 H GLU 38 -10.046 10.121 -1.624
262 HA GLU 38 HA GLU 38 -11.994 9.566 -0.581
263 HB2 GLU 38 1HB GLU 38 -11.425 7.551 -2.199
264 HB3 GLU 38 2HB GLU 38 -11.257 6.675 -0.685
265 HG2 GLU 38 1HG GLU 38 -13.704 8.305 -1.154
266 HG3 GLU 38 2HG GLU 38 -13.540 6.741 -1.949
267 H LYS 39 H LYS 39 -9.893 10.189 1.160
268 HA LYS 39 HA LYS 39 -9.494 8.333 3.229
269 HB2 LYS 39 1HB LYS 39 -8.357 10.651 2.701
270 HB3 LYS 39 2HB LYS 39 -9.583 11.268 3.801
271 HG2 LYS 39 1HG LYS 39 -8.772 9.852 5.572
272 HG3 LYS 39 2HG LYS 39 -7.619 9.087 4.476
273 HD2 LYS 39 1HD LYS 39 -6.353 10.661 5.670
274 HD3 LYS 39 2HD LYS 39 -6.673 11.432 4.115
275 HE2 LYS 39 1HE LYS 39 -7.044 13.065 5.807
276 HE3 LYS 39 2HE LYS 39 -8.623 12.581 5.190
277 HZ1 LYS 39 3HZ LYS 39 -7.434 11.369 7.616
278 HZ2 LYS 39 1HZ LYS 39 -9.045 11.311 7.100
279 HZ3 LYS 39 2HZ LYS 39 -8.394 12.761 7.680
280 H SER 40 H SER 40 -10.470 8.082 5.244
281 HA SER 40 HA SER 40 -13.154 7.918 5.446
282 HB2 SER 40 1HB SER 40 -11.207 8.613 7.655
283 HB3 SER 40 2HB SER 40 -12.879 8.128 7.937
284 HG SER 40 HG SER 40 -11.826 6.249 8.033
285 H SER 41 H SER 41 -11.246 10.755 6.421
286 HA SER 41 HA SER 41 -13.180 12.393 7.425
287 HB2 SER 41 1HB SER 41 -10.667 12.853 7.074
288 HB3 SER 41 2HB SER 41 -11.136 13.467 5.489
289 HG SER 41 HG SER 41 -11.129 15.171 6.930
290 H GLY 42 H GLY 42 -15.134 12.856 6.668
291 HA2 GLY 42 1HA GLY 42 -16.065 14.381 4.818
292 HA3 GLY 42 2HA GLY 42 -15.498 13.101 3.755
293 HA PRO 43 HA PRO 43 -19.898 12.142 4.617
294 HB2 PRO 43 1HB PRO 43 -20.380 11.136 2.142
295 HB3 PRO 43 2HB PRO 43 -20.462 12.863 2.509
296 HG2 PRO 43 1HG PRO 43 -18.247 11.300 1.239
297 HG3 PRO 43 2HG PRO 43 -18.895 12.888 0.791
298 HD2 PRO 43 1HD PRO 43 -16.609 12.596 2.213
299 HD3 PRO 43 2HD PRO 43 -17.700 13.979 2.433
300 H SER 44 H SER 44 -20.876 10.155 4.994
301 HA SER 44 HA SER 44 -19.049 7.865 4.959
302 HB2 SER 44 1HB SER 44 -20.204 8.637 7.099
303 HB3 SER 44 2HB SER 44 -21.701 8.026 6.394
304 HG SER 44 HG SER 44 -20.920 6.333 7.510
305 H SER 45 H SER 45 -19.358 6.171 3.664
306 HA SER 45 HA SER 45 -21.973 5.450 2.689
307 HB2 SER 45 1HB SER 45 -21.370 5.631 0.293
308 HB3 SER 45 2HB SER 45 -21.404 7.205 1.088
309 HG SER 45 HG SER 45 -18.962 5.913 1.119
310 H GLY 46 H GLY 46 -22.095 3.314 2.250
311 HA2 GLY 46 1HA GLY 46 -21.369 1.174 1.683
312 HA3 GLY 46 2HA GLY 46 -19.732 1.796 1.536
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -1.467 -16.939 12.398
2 HA2 GLY 1 1HA GLY 1 -2.059 -19.736 12.018
3 HA3 GLY 1 2HA GLY 1 -3.476 -18.702 11.915
4 H SER 2 H SER 2 -2.638 -16.521 10.594
5 HA SER 2 HA SER 2 -1.935 -17.625 7.969
6 HB2 SER 2 1HB SER 2 -3.521 -15.250 8.870
7 HB3 SER 2 2HB SER 2 -2.771 -15.225 7.274
8 HG SER 2 HG SER 2 -4.333 -17.417 8.115
9 H SER 3 H SER 3 0.334 -17.701 8.477
10 HA SER 3 HA SER 3 1.796 -15.354 9.152
11 HB2 SER 3 1HB SER 3 2.721 -17.522 9.691
12 HB3 SER 3 2HB SER 3 2.690 -18.004 7.995
13 HG SER 3 HG SER 3 4.382 -16.734 7.581
14 H GLY 4 H GLY 4 1.682 -13.659 7.795
15 HA2 GLY 4 1HA GLY 4 2.485 -14.141 4.995
16 HA3 GLY 4 2HA GLY 4 1.149 -13.068 5.383
17 H SER 5 H SER 5 4.591 -13.453 5.297
18 HA SER 5 HA SER 5 4.877 -10.563 5.732
19 HB2 SER 5 1HB SER 5 6.758 -10.827 7.167
20 HB3 SER 5 2HB SER 5 5.519 -11.914 7.793
21 HG SER 5 HG SER 5 7.787 -12.579 6.229
22 H SER 6 H SER 6 6.529 -9.568 4.575
23 HA SER 6 HA SER 6 7.368 -11.013 2.208
24 HB2 SER 6 1HB SER 6 6.559 -8.785 1.839
25 HB3 SER 6 2HB SER 6 7.652 -8.124 3.054
26 HG SER 6 HG SER 6 9.075 -7.936 1.536
27 H GLY 7 H GLY 7 9.064 -8.962 4.593
28 HA2 GLY 7 1HA GLY 7 11.072 -9.430 5.691
29 HA3 GLY 7 2HA GLY 7 11.239 -10.883 4.716
30 H SER 8 H SER 8 12.259 -10.779 2.717
31 HA SER 8 HA SER 8 14.357 -8.967 2.460
32 HB2 SER 8 1HB SER 8 14.454 -11.106 1.347
33 HB3 SER 8 2HB SER 8 13.034 -10.718 0.376
34 HG SER 8 HG SER 8 15.520 -9.348 0.281
35 H GLY 9 H GLY 9 14.346 -6.882 1.969
36 HA2 GLY 9 1HA GLY 9 13.029 -5.817 -0.296
37 HA3 GLY 9 2HA GLY 9 12.108 -5.434 1.151
38 H GLU 10 H GLU 10 15.589 -5.528 0.381
39 HA GLU 10 HA GLU 10 16.193 -3.295 2.006
40 HB2 GLU 10 1HB GLU 10 17.716 -4.692 -0.188
41 HB3 GLU 10 2HB GLU 10 18.380 -3.323 0.692
42 HG2 GLU 10 1HG GLU 10 18.227 -4.544 2.774
43 HG3 GLU 10 2HG GLU 10 17.471 -5.903 1.945
44 H ARG 11 H ARG 11 15.449 -1.316 1.623
45 HA ARG 11 HA ARG 11 15.928 -0.114 -0.986
46 HB2 ARG 11 1HB ARG 11 13.209 -0.329 0.299
47 HB3 ARG 11 2HB ARG 11 13.586 0.890 -0.911
48 HG2 ARG 11 1HG ARG 11 13.731 -2.093 -1.297
49 HG3 ARG 11 2HG ARG 11 12.474 -1.018 -1.913
50 HD2 ARG 11 1HD ARG 11 14.513 0.231 -2.992
51 HD3 ARG 11 2HD ARG 11 15.309 -1.329 -2.785
52 HE ARG 11 HE ARG 11 12.732 -1.418 -4.096
53 HH11 ARG 11 1HH1 ARG 11 16.187 -1.205 -4.465
54 HH12 ARG 11 2HH1 ARG 11 16.179 -1.783 -6.099
55 HH21 ARG 11 1HH2 ARG 11 12.708 -2.179 -6.246
56 HH22 ARG 11 2HH2 ARG 11 14.200 -2.335 -7.111
57 HA PRO 12 HA PRO 12 16.997 3.425 1.379
58 HB2 PRO 12 1HB PRO 12 16.334 5.430 -0.327
59 HB3 PRO 12 2HB PRO 12 17.727 4.372 -0.583
60 HG2 PRO 12 1HG PRO 12 15.000 4.245 -1.812
61 HG3 PRO 12 2HG PRO 12 16.584 4.028 -2.579
62 HD2 PRO 12 1HD PRO 12 15.006 1.942 -1.882
63 HD3 PRO 12 2HD PRO 12 16.778 1.849 -1.852
64 H PHE 13 H PHE 13 13.749 3.224 0.073
65 HA PHE 13 HA PHE 13 12.794 4.820 2.352
66 HB2 PHE 13 1HB PHE 13 11.842 4.954 -0.513
67 HB3 PHE 13 2HB PHE 13 10.956 5.650 0.840
68 HD1 PHE 13 HD1 PHE 13 14.014 5.877 -1.184
69 HD2 PHE 13 HD2 PHE 13 11.657 7.684 1.866
70 HE1 PHE 13 HE1 PHE 13 15.343 7.938 -1.382
71 HE2 PHE 13 HE2 PHE 13 12.983 9.748 1.672
72 HZ PHE 13 HZ PHE 13 14.828 9.877 0.046
73 H LYS 14 H LYS 14 10.567 4.360 2.981
74 HA LYS 14 HA LYS 14 9.366 1.917 1.998
75 HB2 LYS 14 1HB LYS 14 11.061 1.164 3.674
76 HB3 LYS 14 2HB LYS 14 10.212 2.105 4.894
77 HG2 LYS 14 1HG LYS 14 8.154 0.702 4.198
78 HG3 LYS 14 2HG LYS 14 9.348 -0.389 3.493
79 HD2 LYS 14 1HD LYS 14 10.290 -0.892 5.559
80 HD3 LYS 14 2HD LYS 14 9.638 0.561 6.319
81 HE2 LYS 14 1HE LYS 14 7.721 -1.445 5.255
82 HE3 LYS 14 2HE LYS 14 8.589 -1.836 6.739
83 HZ1 LYS 14 3HZ LYS 14 7.225 -0.528 7.865
84 HZ2 LYS 14 1HZ LYS 14 6.342 -0.223 6.454
85 HZ3 LYS 14 2HZ LYS 14 7.614 0.801 6.893
86 H CYS 15 H CYS 15 7.218 1.573 2.805
87 HA CYS 15 HA CYS 15 5.971 4.074 3.688
88 HB2 CYS 15 1HB CYS 15 5.004 3.242 1.672
89 HB3 CYS 15 2HB CYS 15 4.872 1.614 2.329
90 H ASN 16 H ASN 16 4.844 4.254 5.555
91 HA ASN 16 HA ASN 16 5.118 2.079 7.468
92 HB2 ASN 16 1HB ASN 16 4.577 5.003 7.628
93 HB3 ASN 16 2HB ASN 16 3.949 3.990 8.925
94 HD21 ASN 16 1HD2 ASN 16 6.302 5.983 8.406
95 HD22 ASN 16 2HD2 ASN 16 7.617 5.217 9.224
96 H GLU 17 H GLU 17 2.716 3.523 5.473
97 HA GLU 17 HA GLU 17 0.392 2.905 6.916
98 HB2 GLU 17 1HB GLU 17 0.648 2.880 3.909
99 HB3 GLU 17 2HB GLU 17 -0.799 3.196 4.856
100 HG2 GLU 17 1HG GLU 17 1.632 4.952 4.985
101 HG3 GLU 17 2HG GLU 17 0.338 5.194 3.812
102 H CYS 18 H CYS 18 1.866 1.096 4.215
103 HA CYS 18 HA CYS 18 0.571 -1.333 5.269
104 HB2 CYS 18 1HB CYS 18 0.564 -2.204 2.988
105 HB3 CYS 18 2HB CYS 18 -0.275 -0.657 3.055
106 H GLY 19 H GLY 19 3.471 -0.095 3.636
107 HA2 GLY 19 1HA GLY 19 5.569 -0.862 4.833
108 HA3 GLY 19 2HA GLY 19 4.923 -2.480 4.598
109 H LYS 20 H LYS 20 4.371 -0.201 2.086
110 HA LYS 20 HA LYS 20 5.681 -1.765 0.147
111 HB2 LYS 20 1HB LYS 20 3.792 -0.107 -0.218
112 HB3 LYS 20 2HB LYS 20 5.005 1.163 -0.129
113 HG2 LYS 20 1HG LYS 20 4.465 0.574 -2.436
114 HG3 LYS 20 2HG LYS 20 6.155 0.239 -2.053
115 HD2 LYS 20 1HD LYS 20 5.810 -2.069 -2.003
116 HD3 LYS 20 2HD LYS 20 4.063 -1.897 -1.814
117 HE2 LYS 20 1HE LYS 20 4.219 -0.750 -4.155
118 HE3 LYS 20 2HE LYS 20 5.749 -1.618 -4.265
119 HZ1 LYS 20 3HZ LYS 20 3.039 -2.769 -3.922
120 HZ2 LYS 20 1HZ LYS 20 4.455 -3.670 -3.710
121 HZ3 LYS 20 2HZ LYS 20 4.102 -2.992 -5.219
122 H GLY 21 H GLY 21 7.464 -1.055 -1.264
123 HA2 GLY 21 1HA GLY 21 9.421 0.655 0.122
124 HA3 GLY 21 2HA GLY 21 9.889 -0.946 -0.430
125 H PHE 22 H PHE 22 10.765 1.847 -1.161
126 HA PHE 22 HA PHE 22 10.691 1.417 -4.050
127 HB2 PHE 22 1HB PHE 22 10.050 4.077 -2.758
128 HB3 PHE 22 2HB PHE 22 10.217 3.789 -4.487
129 HD1 PHE 22 HD2 PHE 22 8.188 2.933 -1.513
130 HD2 PHE 22 HD1 PHE 22 8.411 3.019 -5.763
131 HE1 PHE 22 HE2 PHE 22 5.794 2.381 -1.646
132 HE2 PHE 22 HE1 PHE 22 6.017 2.468 -5.903
133 HZ PHE 22 HZ PHE 22 4.705 2.147 -3.843
134 H GLY 23 H GLY 23 12.277 2.918 -5.176
135 HA2 GLY 23 1HA GLY 23 14.744 2.930 -3.596
136 HA3 GLY 23 2HA GLY 23 14.638 3.010 -5.348
137 H ARG 24 H ARG 24 12.766 5.108 -5.563
138 HA ARG 24 HA ARG 24 14.474 7.351 -4.751
139 HB2 ARG 24 1HB ARG 24 12.308 7.188 -6.855
140 HB3 ARG 24 2HB ARG 24 13.251 8.627 -6.490
141 HG2 ARG 24 1HG ARG 24 15.296 7.431 -7.144
142 HG3 ARG 24 2HG ARG 24 14.318 6.022 -7.558
143 HD2 ARG 24 1HD ARG 24 14.697 7.148 -9.591
144 HD3 ARG 24 2HD ARG 24 13.043 7.547 -9.130
145 HE ARG 24 HE ARG 24 14.779 9.519 -8.136
146 HH11 ARG 24 1HH1 ARG 24 13.492 8.343 -11.149
147 HH12 ARG 24 2HH1 ARG 24 13.602 9.878 -11.945
148 HH21 ARG 24 1HH2 ARG 24 14.929 11.545 -9.173
149 HH22 ARG 24 2HH2 ARG 24 14.420 11.698 -10.821
150 H ARG 25 H ARG 25 13.518 9.297 -3.940
151 HA ARG 25 HA ARG 25 11.613 8.864 -1.914
152 HB2 ARG 25 1HB ARG 25 13.438 10.722 -2.197
153 HB3 ARG 25 2HB ARG 25 12.150 11.599 -3.012
154 HG2 ARG 25 1HG ARG 25 12.136 10.586 -0.178
155 HG3 ARG 25 2HG ARG 25 12.230 12.265 -0.710
156 HD2 ARG 25 1HD ARG 25 9.979 11.597 -1.946
157 HD3 ARG 25 2HD ARG 25 9.910 10.413 -0.641
158 HE ARG 25 HE ARG 25 10.409 13.147 0.174
159 HH11 ARG 25 1HH1 ARG 25 8.055 10.640 -0.367
160 HH12 ARG 25 2HH1 ARG 25 6.861 11.359 0.662
161 HH21 ARG 25 1HH2 ARG 25 8.845 14.103 1.531
162 HH22 ARG 25 2HH2 ARG 25 7.311 13.329 1.740
163 H SER 26 H SER 26 11.323 10.824 -4.884
164 HA SER 26 HA SER 26 8.601 11.380 -4.649
165 HB2 SER 26 1HB SER 26 10.398 11.187 -7.068
166 HB3 SER 26 2HB SER 26 8.715 11.703 -7.175
167 HG SER 26 HG SER 26 10.909 13.071 -6.295
168 H HIS 27 H HIS 27 10.247 8.533 -5.780
169 HA HIS 27 HA HIS 27 8.152 7.340 -7.227
170 HB2 HIS 27 1HB HIS 27 10.663 6.391 -5.946
171 HB3 HIS 27 2HB HIS 27 9.453 5.175 -6.346
172 HD1 HIS 27 HD1 HIS 27 11.822 4.706 -7.896
173 HD2 HIS 27 HD2 HIS 27 9.100 7.607 -9.095
174 HE1 HIS 27 HE1 HIS 27 12.254 5.060 -10.348
175 H LEU 28 H LEU 28 8.962 7.320 -3.799
176 HA LEU 28 HA LEU 28 6.831 5.466 -3.165
177 HB2 LEU 28 1HB LEU 28 8.625 5.160 -1.751
178 HB3 LEU 28 2HB LEU 28 8.954 6.887 -1.626
179 HG LEU 28 HG LEU 28 6.832 7.049 -0.246
180 HD11 LEU 28 1HD1 LEU 28 5.553 5.263 0.025
181 HD12 LEU 28 2HD1 LEU 28 6.903 4.380 0.735
182 HD13 LEU 28 3HD1 LEU 28 6.639 4.333 -1.008
183 HD21 LEU 28 3HD2 LEU 28 8.032 6.785 1.680
184 HD22 LEU 28 1HD2 LEU 28 9.349 6.791 0.507
185 HD23 LEU 28 2HD2 LEU 28 8.753 5.263 1.155
186 H ALA 29 H ALA 29 7.563 8.892 -2.556
187 HA ALA 29 HA ALA 29 5.542 9.766 -1.037
188 HB1 ALA 29 3HB ALA 29 5.516 11.863 -2.367
189 HB2 ALA 29 1HB ALA 29 7.139 11.302 -1.964
190 HB3 ALA 29 2HB ALA 29 6.498 11.055 -3.589
191 H GLY 30 H GLY 30 5.227 8.939 -4.472
192 HA2 GLY 30 1HA GLY 30 2.505 9.696 -4.711
193 HA3 GLY 30 2HA GLY 30 3.376 8.621 -5.795
194 H HIS 31 H HIS 31 4.074 6.657 -3.843
195 HA HIS 31 HA HIS 31 1.895 4.945 -4.004
196 HB2 HIS 31 1HB HIS 31 4.069 4.030 -3.618
197 HB3 HIS 31 2HB HIS 31 4.260 4.948 -2.127
198 HD1 HIS 31 HD1 HIS 31 2.311 2.032 -3.532
199 HD2 HIS 31 HD2 HIS 31 3.325 3.705 0.133
200 HE1 HIS 31 HE1 HIS 31 1.556 0.370 -1.802
201 H LEU 32 H LEU 32 2.498 7.507 -1.804
202 HA LEU 32 HA LEU 32 0.573 6.519 0.151
203 HB2 LEU 32 1HB LEU 32 2.168 9.076 0.112
204 HB3 LEU 32 2HB LEU 32 1.183 8.491 1.451
205 HG LEU 32 HG LEU 32 3.217 7.836 2.207
206 HD11 LEU 32 1HD1 LEU 32 2.016 5.783 2.031
207 HD12 LEU 32 2HD1 LEU 32 3.688 5.470 1.567
208 HD13 LEU 32 3HD1 LEU 32 2.442 5.615 0.328
209 HD21 LEU 32 3HD2 LEU 32 4.100 8.633 -0.242
210 HD22 LEU 32 1HD2 LEU 32 4.475 6.910 -0.272
211 HD23 LEU 32 2HD2 LEU 32 5.116 7.929 1.017
212 H ARG 33 H ARG 33 0.748 8.639 -2.548
213 HA ARG 33 HA ARG 33 -1.307 10.446 -1.942
214 HB2 ARG 33 1HB ARG 33 -0.140 9.413 -4.506
215 HB3 ARG 33 2HB ARG 33 -1.544 10.471 -4.536
216 HG2 ARG 33 1HG ARG 33 -0.058 11.976 -2.990
217 HG3 ARG 33 2HG ARG 33 1.257 11.059 -3.727
218 HD2 ARG 33 1HD ARG 33 0.984 12.971 -5.076
219 HD3 ARG 33 2HD ARG 33 0.226 11.650 -5.965
220 HE ARG 33 HE ARG 33 -1.829 12.653 -5.665
221 HH11 ARG 33 1HH1 ARG 33 0.580 14.258 -3.731
222 HH12 ARG 33 2HH1 ARG 33 -0.442 15.601 -3.339
223 HH21 ARG 33 1HH2 ARG 33 -3.184 14.416 -5.156
224 HH22 ARG 33 2HH2 ARG 33 -2.583 15.689 -4.149
225 H LEU 34 H LEU 34 -1.377 7.146 -3.076
226 HA LEU 34 HA LEU 34 -4.166 7.201 -3.789
227 HB2 LEU 34 1HB LEU 34 -3.917 4.806 -4.130
228 HB3 LEU 34 2HB LEU 34 -2.631 5.705 -4.932
229 HG LEU 34 HG LEU 34 -1.260 5.134 -2.794
230 HD11 LEU 34 1HD1 LEU 34 -2.378 3.967 -1.267
231 HD12 LEU 34 2HD1 LEU 34 -2.294 2.602 -2.379
232 HD13 LEU 34 3HD1 LEU 34 -3.713 3.650 -2.375
233 HD21 LEU 34 3HD2 LEU 34 -0.647 2.926 -3.828
234 HD22 LEU 34 1HD2 LEU 34 -0.609 4.308 -4.923
235 HD23 LEU 34 2HD2 LEU 34 -1.964 3.180 -4.974
236 H HIS 35 H HIS 35 -2.263 6.414 -0.978
237 HA HIS 35 HA HIS 35 -4.110 4.883 0.456
238 HB2 HIS 35 1HB HIS 35 -1.759 6.564 1.157
239 HB3 HIS 35 2HB HIS 35 -2.856 6.128 2.464
240 HD1 HIS 35 HD1 HIS 35 -3.472 3.297 2.125
241 HD2 HIS 35 HD2 HIS 35 0.273 4.800 1.135
242 HE1 HIS 35 HE1 HIS 35 -1.918 1.320 2.179
243 H SER 36 H SER 36 -3.774 8.370 0.110
244 HA SER 36 HA SER 36 -5.849 8.929 2.038
245 HB2 SER 36 1HB SER 36 -3.765 10.394 1.303
246 HB3 SER 36 2HB SER 36 -4.901 10.991 0.094
247 HG SER 36 HG SER 36 -5.211 12.294 1.809
248 H ARG 37 H ARG 37 -6.740 7.206 0.019
249 HA ARG 37 HA ARG 37 -8.619 8.929 -1.460
250 HB2 ARG 37 1HB ARG 37 -7.229 7.803 -3.044
251 HB3 ARG 37 2HB ARG 37 -7.415 6.267 -2.209
252 HG2 ARG 37 1HG ARG 37 -9.965 6.683 -2.762
253 HG3 ARG 37 2HG ARG 37 -9.269 7.664 -4.054
254 HD2 ARG 37 1HD ARG 37 -8.328 5.859 -5.104
255 HD3 ARG 37 2HD ARG 37 -8.186 4.929 -3.613
256 HE ARG 37 HE ARG 37 -10.285 4.083 -3.978
257 HH11 ARG 37 1HH1 ARG 37 -9.772 6.828 -6.058
258 HH12 ARG 37 2HH1 ARG 37 -11.224 6.574 -6.968
259 HH21 ARG 37 1HH2 ARG 37 -12.199 3.738 -5.170
260 HH22 ARG 37 2HH2 ARG 37 -12.604 4.816 -6.462
261 H GLU 38 H GLU 38 -8.251 5.781 0.144
262 HA GLU 38 HA GLU 38 -11.153 5.528 0.341
263 HB2 GLU 38 1HB GLU 38 -10.624 3.269 1.279
264 HB3 GLU 38 2HB GLU 38 -10.036 3.529 -0.357
265 HG2 GLU 38 1HG GLU 38 -7.797 3.951 0.503
266 HG3 GLU 38 2HG GLU 38 -8.380 3.719 2.150
267 H LYS 39 H LYS 39 -10.683 7.595 1.795
268 HA LYS 39 HA LYS 39 -11.200 6.741 4.487
269 HB2 LYS 39 1HB LYS 39 -9.345 8.286 5.388
270 HB3 LYS 39 2HB LYS 39 -8.885 6.689 4.812
271 HG2 LYS 39 1HG LYS 39 -7.279 7.903 3.781
272 HG3 LYS 39 2HG LYS 39 -8.535 8.029 2.547
273 HD2 LYS 39 1HD LYS 39 -7.915 10.233 2.764
274 HD3 LYS 39 2HD LYS 39 -9.241 10.146 3.926
275 HE2 LYS 39 1HE LYS 39 -6.464 9.565 4.844
276 HE3 LYS 39 2HE LYS 39 -6.942 11.240 4.574
277 HZ1 LYS 39 3HZ LYS 39 -7.779 9.386 6.645
278 HZ2 LYS 39 1HZ LYS 39 -9.000 10.369 6.009
279 HZ3 LYS 39 2HZ LYS 39 -7.623 11.070 6.696
280 H SER 40 H SER 40 -11.993 8.442 5.830
281 HA SER 40 HA SER 40 -12.746 10.864 4.328
282 HB2 SER 40 1HB SER 40 -14.563 9.101 4.994
283 HB3 SER 40 2HB SER 40 -14.401 9.814 6.599
284 HG SER 40 HG SER 40 -14.727 11.518 4.404
285 H SER 41 H SER 41 -12.738 12.834 5.411
286 HA SER 41 HA SER 41 -11.103 12.860 7.844
287 HB2 SER 41 1HB SER 41 -11.768 15.122 5.944
288 HB3 SER 41 2HB SER 41 -10.647 15.208 7.303
289 HG SER 41 HG SER 41 -9.604 13.331 6.126
290 H GLY 42 H GLY 42 -11.602 14.800 9.328
291 HA2 GLY 42 1HA GLY 42 -13.526 16.286 9.980
292 HA3 GLY 42 2HA GLY 42 -14.524 14.855 9.769
293 HA PRO 43 HA PRO 43 -13.942 13.736 13.962
294 HB2 PRO 43 1HB PRO 43 -13.788 11.029 13.834
295 HB3 PRO 43 2HB PRO 43 -15.292 11.919 13.569
296 HG2 PRO 43 1HG PRO 43 -13.389 10.775 11.561
297 HG3 PRO 43 2HG PRO 43 -15.162 10.738 11.570
298 HD2 PRO 43 1HD PRO 43 -13.748 12.488 10.063
299 HD3 PRO 43 2HD PRO 43 -15.335 12.886 10.752
300 H SER 44 H SER 44 -11.969 14.519 14.624
301 HA SER 44 HA SER 44 -9.859 12.579 14.932
302 HB2 SER 44 1HB SER 44 -9.576 14.941 13.103
303 HB3 SER 44 2HB SER 44 -8.174 14.345 13.991
304 HG SER 44 HG SER 44 -8.064 12.731 12.659
305 H SER 45 H SER 45 -8.679 12.945 16.737
306 HA SER 45 HA SER 45 -9.579 14.956 18.551
307 HB2 SER 45 1HB SER 45 -8.760 12.650 19.194
308 HB3 SER 45 2HB SER 45 -7.125 13.215 18.851
309 HG SER 45 HG SER 45 -7.126 14.287 20.662
310 H GLY 46 H GLY 46 -9.123 16.901 17.395
311 HA2 GLY 46 1HA GLY 46 -7.709 18.817 17.699
312 HA3 GLY 46 2HA GLY 46 -6.320 17.740 17.715
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -5.924 -0.197 -2.539
2 HA2 GLY 1 1HA GLY 1 -4.888 -2.865 -3.063
3 HA3 GLY 1 2HA GLY 1 -3.991 -1.509 -2.396
4 H SER 2 H SER 2 -4.032 -1.121 -0.174
5 HA SER 2 HA SER 2 -3.826 -1.894 1.975
6 HB2 SER 2 1HB SER 2 -6.728 -2.184 1.267
7 HB3 SER 2 2HB SER 2 -6.159 -2.680 2.861
8 HG SER 2 HG SER 2 -5.367 -0.570 3.164
9 H SER 3 H SER 3 -2.875 -3.787 0.187
10 HA SER 3 HA SER 3 -3.988 -6.364 0.931
11 HB2 SER 3 1HB SER 3 -1.648 -5.624 -0.841
12 HB3 SER 3 2HB SER 3 -2.220 -7.271 -0.579
13 HG SER 3 HG SER 3 -4.349 -6.246 -1.288
14 H GLY 4 H GLY 4 -2.364 -8.115 1.558
15 HA2 GLY 4 1HA GLY 4 -0.509 -7.012 3.579
16 HA3 GLY 4 2HA GLY 4 -1.484 -8.448 3.855
17 H SER 5 H SER 5 0.362 -9.691 4.306
18 HA SER 5 HA SER 5 2.118 -11.066 3.846
19 HB2 SER 5 1HB SER 5 0.512 -11.049 1.334
20 HB3 SER 5 2HB SER 5 2.108 -11.797 1.284
21 HG SER 5 HG SER 5 0.077 -12.430 3.164
22 H SER 6 H SER 6 2.780 -8.379 3.892
23 HA SER 6 HA SER 6 4.127 -7.341 1.705
24 HB2 SER 6 1HB SER 6 4.870 -7.053 4.627
25 HB3 SER 6 2HB SER 6 5.407 -5.996 3.322
26 HG SER 6 HG SER 6 2.883 -5.950 3.036
27 H GLY 7 H GLY 7 5.760 -8.117 0.557
28 HA2 GLY 7 1HA GLY 7 7.285 -10.366 1.322
29 HA3 GLY 7 2HA GLY 7 7.630 -9.309 -0.039
30 H SER 8 H SER 8 9.684 -8.702 0.074
31 HA SER 8 HA SER 8 10.620 -7.259 2.390
32 HB2 SER 8 1HB SER 8 11.152 -9.529 3.088
33 HB3 SER 8 2HB SER 8 11.962 -9.842 1.553
34 HG SER 8 HG SER 8 12.747 -8.004 3.567
35 H GLY 9 H GLY 9 12.479 -6.005 1.977
36 HA2 GLY 9 1HA GLY 9 14.052 -6.170 -0.347
37 HA3 GLY 9 2HA GLY 9 12.730 -5.054 -0.652
38 H GLU 10 H GLU 10 15.835 -5.027 0.013
39 HA GLU 10 HA GLU 10 15.879 -3.128 2.197
40 HB2 GLU 10 1HB GLU 10 17.935 -4.504 0.525
41 HB3 GLU 10 2HB GLU 10 18.387 -3.027 1.364
42 HG2 GLU 10 1HG GLU 10 17.458 -4.143 3.462
43 HG3 GLU 10 2HG GLU 10 17.492 -5.638 2.527
44 H ARG 11 H ARG 11 14.570 -1.473 1.253
45 HA ARG 11 HA ARG 11 15.855 0.017 -0.933
46 HB2 ARG 11 1HB ARG 11 13.034 -0.331 -0.058
47 HB3 ARG 11 2HB ARG 11 13.480 1.227 -0.740
48 HG2 ARG 11 1HG ARG 11 12.726 0.052 -2.579
49 HG3 ARG 11 2HG ARG 11 14.476 -0.157 -2.674
50 HD2 ARG 11 1HD ARG 11 14.220 -2.338 -1.512
51 HD3 ARG 11 2HD ARG 11 12.471 -2.130 -1.588
52 HE ARG 11 HE ARG 11 12.527 -2.656 -3.829
53 HH11 ARG 11 1HH1 ARG 11 15.764 -2.155 -2.649
54 HH12 ARG 11 2HH1 ARG 11 16.521 -2.772 -4.081
55 HH21 ARG 11 1HH2 ARG 11 13.512 -3.471 -5.718
56 HH22 ARG 11 2HH2 ARG 11 15.239 -3.519 -5.826
57 HA PRO 12 HA PRO 12 16.874 3.425 1.633
58 HB2 PRO 12 1HB PRO 12 16.270 5.555 0.062
59 HB3 PRO 12 2HB PRO 12 17.649 4.493 -0.248
60 HG2 PRO 12 1HG PRO 12 14.940 4.498 -1.521
61 HG3 PRO 12 2HG PRO 12 16.532 4.309 -2.279
62 HD2 PRO 12 1HD PRO 12 14.909 2.206 -1.751
63 HD3 PRO 12 2HD PRO 12 16.680 2.082 -1.703
64 H PHE 13 H PHE 13 13.651 3.435 0.228
65 HA PHE 13 HA PHE 13 12.696 4.932 2.579
66 HB2 PHE 13 1HB PHE 13 11.771 5.092 -0.289
67 HB3 PHE 13 2HB PHE 13 10.811 5.704 1.054
68 HD1 PHE 13 HD1 PHE 13 14.271 5.954 -0.316
69 HD2 PHE 13 HD2 PHE 13 11.026 7.919 1.614
70 HE1 PHE 13 HE1 PHE 13 15.506 8.080 -0.411
71 HE2 PHE 13 HE2 PHE 13 12.256 10.048 1.522
72 HZ PHE 13 HZ PHE 13 14.498 10.130 0.508
73 H LYS 14 H LYS 14 10.339 4.522 3.035
74 HA LYS 14 HA LYS 14 9.287 1.979 2.146
75 HB2 LYS 14 1HB LYS 14 10.910 1.497 4.049
76 HB3 LYS 14 2HB LYS 14 9.788 2.354 5.097
77 HG2 LYS 14 1HG LYS 14 8.028 0.704 4.186
78 HG3 LYS 14 2HG LYS 14 9.422 -0.249 3.672
79 HD2 LYS 14 1HD LYS 14 10.218 0.112 6.131
80 HD3 LYS 14 2HD LYS 14 8.513 0.452 6.433
81 HE2 LYS 14 1HE LYS 14 7.854 -1.700 5.848
82 HE3 LYS 14 2HE LYS 14 9.334 -2.012 4.942
83 HZ1 LYS 14 3HZ LYS 14 9.021 -3.081 7.250
84 HZ2 LYS 14 1HZ LYS 14 9.454 -1.559 7.849
85 HZ3 LYS 14 2HZ LYS 14 10.525 -2.414 6.858
86 H CYS 15 H CYS 15 7.091 1.640 2.769
87 HA CYS 15 HA CYS 15 5.698 4.146 3.306
88 HB2 CYS 15 1HB CYS 15 4.930 2.904 1.379
89 HB3 CYS 15 2HB CYS 15 4.711 1.453 2.351
90 H ASN 16 H ASN 16 4.900 4.624 5.237
91 HA ASN 16 HA ASN 16 4.940 2.640 7.347
92 HB2 ASN 16 1HB ASN 16 4.671 5.599 7.195
93 HB3 ASN 16 2HB ASN 16 3.952 4.796 8.588
94 HD21 ASN 16 1HD2 ASN 16 5.258 3.847 10.110
95 HD22 ASN 16 2HD2 ASN 16 6.970 4.076 10.152
96 H GLU 17 H GLU 17 2.972 2.493 5.111
97 HA GLU 17 HA GLU 17 0.496 2.627 6.704
98 HB2 GLU 17 1HB GLU 17 0.587 2.549 3.697
99 HB3 GLU 17 2HB GLU 17 -0.746 3.030 4.737
100 HG2 GLU 17 1HG GLU 17 1.816 4.574 4.703
101 HG3 GLU 17 2HG GLU 17 0.567 4.848 3.490
102 H CYS 18 H CYS 18 1.943 0.818 3.990
103 HA CYS 18 HA CYS 18 0.613 -1.600 5.021
104 HB2 CYS 18 1HB CYS 18 0.720 -2.471 2.712
105 HB3 CYS 18 2HB CYS 18 -0.214 -0.982 2.816
106 H GLY 19 H GLY 19 3.561 -0.385 3.461
107 HA2 GLY 19 1HA GLY 19 5.624 -1.178 4.698
108 HA3 GLY 19 2HA GLY 19 4.967 -2.788 4.444
109 H LYS 20 H LYS 20 4.580 -0.403 1.968
110 HA LYS 20 HA LYS 20 6.027 -2.017 0.095
111 HB2 LYS 20 1HB LYS 20 3.982 -0.710 -0.484
112 HB3 LYS 20 2HB LYS 20 4.912 0.769 -0.277
113 HG2 LYS 20 1HG LYS 20 4.829 0.323 -2.596
114 HG3 LYS 20 2HG LYS 20 6.463 -0.074 -2.060
115 HD2 LYS 20 1HD LYS 20 5.796 -1.835 -3.493
116 HD3 LYS 20 2HD LYS 20 5.670 -2.469 -1.850
117 HE2 LYS 20 1HE LYS 20 3.254 -1.981 -1.879
118 HE3 LYS 20 2HE LYS 20 3.404 -1.418 -3.543
119 HZ1 LYS 20 3HZ LYS 20 4.479 -4.054 -3.089
120 HZ2 LYS 20 1HZ LYS 20 3.458 -3.497 -4.319
121 HZ3 LYS 20 2HZ LYS 20 2.813 -3.942 -2.820
122 H GLY 21 H GLY 21 7.775 -1.205 -1.273
123 HA2 GLY 21 1HA GLY 21 9.430 0.863 0.011
124 HA3 GLY 21 2HA GLY 21 10.125 -0.715 -0.328
125 H PHE 22 H PHE 22 10.642 2.100 -1.341
126 HA PHE 22 HA PHE 22 10.687 1.371 -4.187
127 HB2 PHE 22 1HB PHE 22 10.019 4.119 -3.111
128 HB3 PHE 22 2HB PHE 22 10.168 3.684 -4.811
129 HD1 PHE 22 HD2 PHE 22 8.240 2.850 -1.743
130 HD2 PHE 22 HD1 PHE 22 8.302 3.006 -5.996
131 HE1 PHE 22 HE2 PHE 22 5.851 2.263 -1.796
132 HE2 PHE 22 HE1 PHE 22 5.913 2.419 -6.056
133 HZ PHE 22 HZ PHE 22 4.685 2.046 -3.954
134 H GLY 23 H GLY 23 12.296 2.662 -5.434
135 HA2 GLY 23 1HA GLY 23 14.768 2.789 -3.919
136 HA3 GLY 23 2HA GLY 23 14.604 2.912 -5.665
137 H ARG 24 H ARG 24 12.699 5.009 -5.733
138 HA ARG 24 HA ARG 24 14.420 7.237 -4.891
139 HB2 ARG 24 1HB ARG 24 12.296 7.086 -7.036
140 HB3 ARG 24 2HB ARG 24 13.168 8.550 -6.603
141 HG2 ARG 24 1HG ARG 24 15.192 7.730 -7.440
142 HG3 ARG 24 2HG ARG 24 14.602 6.068 -7.476
143 HD2 ARG 24 1HD ARG 24 13.082 6.610 -9.278
144 HD3 ARG 24 2HD ARG 24 13.546 8.309 -9.195
145 HE ARG 24 HE ARG 24 15.341 7.810 -10.502
146 HH11 ARG 24 1HH1 ARG 24 14.277 4.890 -8.933
147 HH12 ARG 24 2HH1 ARG 24 15.410 3.876 -9.763
148 HH21 ARG 24 1HH2 ARG 24 16.837 6.485 -11.602
149 HH22 ARG 24 2HH2 ARG 24 16.866 4.784 -11.280
150 H ARG 25 H ARG 25 13.573 9.019 -3.817
151 HA ARG 25 HA ARG 25 11.590 8.551 -1.919
152 HB2 ARG 25 1HB ARG 25 12.938 10.279 -1.268
153 HB3 ARG 25 2HB ARG 25 13.059 10.940 -2.893
154 HG2 ARG 25 1HG ARG 25 11.851 12.404 -1.310
155 HG3 ARG 25 2HG ARG 25 10.889 11.939 -2.715
156 HD2 ARG 25 1HD ARG 25 9.484 10.616 -1.487
157 HD3 ARG 25 2HD ARG 25 10.712 10.250 -0.276
158 HE ARG 25 HE ARG 25 8.782 12.300 -0.134
159 HH11 ARG 25 1HH1 ARG 25 12.138 11.679 0.553
160 HH12 ARG 25 2HH1 ARG 25 12.227 12.846 1.831
161 HH21 ARG 25 1HH2 ARG 25 8.886 13.839 1.547
162 HH22 ARG 25 2HH2 ARG 25 10.376 14.073 2.396
163 H SER 26 H SER 26 11.366 10.779 -4.701
164 HA SER 26 HA SER 26 8.680 11.375 -4.511
165 HB2 SER 26 1HB SER 26 9.868 12.658 -6.064
166 HB3 SER 26 2HB SER 26 10.566 11.239 -6.847
167 HG SER 26 HG SER 26 8.586 10.806 -7.780
168 H HIS 27 H HIS 27 10.221 8.551 -5.911
169 HA HIS 27 HA HIS 27 8.039 7.482 -7.295
170 HB2 HIS 27 1HB HIS 27 10.560 6.392 -6.153
171 HB3 HIS 27 2HB HIS 27 9.300 5.236 -6.576
172 HD1 HIS 27 HD1 HIS 27 11.201 4.478 -8.360
173 HD2 HIS 27 HD2 HIS 27 9.338 8.128 -9.044
174 HE1 HIS 27 HE1 HIS 27 11.666 5.029 -10.769
175 H LEU 28 H LEU 28 8.920 7.336 -3.898
176 HA LEU 28 HA LEU 28 6.817 5.455 -3.265
177 HB2 LEU 28 1HB LEU 28 8.634 5.154 -1.879
178 HB3 LEU 28 2HB LEU 28 8.939 6.883 -1.732
179 HG LEU 28 HG LEU 28 6.760 6.937 -0.360
180 HD11 LEU 28 1HD1 LEU 28 5.666 5.036 -0.058
181 HD12 LEU 28 2HD1 LEU 28 7.086 4.340 0.721
182 HD13 LEU 28 3HD1 LEU 28 6.867 4.176 -1.021
183 HD21 LEU 28 3HD2 LEU 28 8.035 6.949 1.507
184 HD22 LEU 28 1HD2 LEU 28 9.350 6.864 0.334
185 HD23 LEU 28 2HD2 LEU 28 8.789 5.397 1.136
186 H ALA 29 H ALA 29 7.508 8.880 -2.609
187 HA ALA 29 HA ALA 29 5.462 9.674 -1.058
188 HB1 ALA 29 3HB ALA 29 6.290 11.137 -3.561
189 HB2 ALA 29 1HB ALA 29 5.521 11.836 -2.136
190 HB3 ALA 29 2HB ALA 29 7.156 11.183 -2.026
191 H GLY 30 H GLY 30 5.211 8.895 -4.498
192 HA2 GLY 30 1HA GLY 30 2.495 9.687 -4.780
193 HA3 GLY 30 2HA GLY 30 3.386 8.641 -5.875
194 H HIS 31 H HIS 31 4.047 6.652 -3.899
195 HA HIS 31 HA HIS 31 1.834 4.960 -4.154
196 HB2 HIS 31 1HB HIS 31 4.023 4.019 -3.845
197 HB3 HIS 31 2HB HIS 31 4.213 4.834 -2.295
198 HD1 HIS 31 HD1 HIS 31 2.312 2.002 -3.903
199 HD2 HIS 31 HD2 HIS 31 3.199 3.479 -0.123
200 HE1 HIS 31 HE1 HIS 31 1.522 0.241 -2.291
201 H LEU 32 H LEU 32 2.513 7.420 -1.866
202 HA LEU 32 HA LEU 32 0.610 6.380 0.084
203 HB2 LEU 32 1HB LEU 32 2.268 8.898 0.118
204 HB3 LEU 32 2HB LEU 32 1.273 8.303 1.445
205 HG LEU 32 HG LEU 32 3.308 7.582 2.155
206 HD11 LEU 32 1HD1 LEU 32 3.664 5.204 1.493
207 HD12 LEU 32 2HD1 LEU 32 2.407 5.410 0.273
208 HD13 LEU 32 3HD1 LEU 32 2.012 5.583 1.983
209 HD21 LEU 32 3HD2 LEU 32 4.165 8.352 -0.319
210 HD22 LEU 32 1HD2 LEU 32 4.485 6.617 -0.343
211 HD23 LEU 32 2HD2 LEU 32 5.180 7.625 0.927
212 H ARG 33 H ARG 33 0.865 8.779 -2.417
213 HA ARG 33 HA ARG 33 -1.201 10.509 -1.708
214 HB2 ARG 33 1HB ARG 33 -0.227 9.639 -4.432
215 HB3 ARG 33 2HB ARG 33 -1.384 10.939 -4.182
216 HG2 ARG 33 1HG ARG 33 0.345 12.059 -2.742
217 HG3 ARG 33 2HG ARG 33 1.487 10.837 -3.304
218 HD2 ARG 33 1HD ARG 33 0.747 11.559 -5.667
219 HD3 ARG 33 2HD ARG 33 0.107 12.992 -4.863
220 HE ARG 33 HE ARG 33 2.632 12.906 -3.951
221 HH11 ARG 33 1HH1 ARG 33 1.292 12.680 -7.157
222 HH12 ARG 33 2HH1 ARG 33 2.674 13.389 -7.925
223 HH21 ARG 33 1HH2 ARG 33 4.457 13.840 -4.952
224 HH22 ARG 33 2HH2 ARG 33 4.474 14.047 -6.670
225 H LEU 34 H LEU 34 -1.293 7.300 -3.058
226 HA LEU 34 HA LEU 34 -4.072 7.438 -3.808
227 HB2 LEU 34 1HB LEU 34 -3.847 5.089 -4.342
228 HB3 LEU 34 2HB LEU 34 -2.506 6.009 -5.021
229 HG LEU 34 HG LEU 34 -1.264 5.227 -2.851
230 HD11 LEU 34 1HD1 LEU 34 -2.274 2.694 -2.706
231 HD12 LEU 34 2HD1 LEU 34 -3.737 3.672 -2.817
232 HD13 LEU 34 3HD1 LEU 34 -2.568 3.978 -1.533
233 HD21 LEU 34 3HD2 LEU 34 -1.769 3.817 -5.416
234 HD22 LEU 34 1HD2 LEU 34 -0.875 2.962 -4.160
235 HD23 LEU 34 2HD2 LEU 34 -0.276 4.503 -4.774
236 H HIS 35 H HIS 35 -2.207 6.412 -1.044
237 HA HIS 35 HA HIS 35 -4.105 4.820 0.255
238 HB2 HIS 35 1HB HIS 35 -1.712 6.372 1.094
239 HB3 HIS 35 2HB HIS 35 -2.831 5.877 2.360
240 HD1 HIS 35 HD1 HIS 35 -3.424 3.152 2.194
241 HD2 HIS 35 HD2 HIS 35 0.156 4.498 0.569
242 HE1 HIS 35 HE1 HIS 35 -1.960 1.116 2.014
243 H SER 36 H SER 36 -3.653 8.315 0.213
244 HA SER 36 HA SER 36 -5.776 8.752 2.131
245 HB2 SER 36 1HB SER 36 -3.941 10.557 0.574
246 HB3 SER 36 2HB SER 36 -5.335 11.211 1.433
247 HG SER 36 HG SER 36 -3.593 9.484 2.788
248 H ARG 37 H ARG 37 -6.461 7.354 -0.312
249 HA ARG 37 HA ARG 37 -7.999 9.256 -1.879
250 HB2 ARG 37 1HB ARG 37 -6.767 7.317 -2.907
251 HB3 ARG 37 2HB ARG 37 -7.929 6.248 -2.133
252 HG2 ARG 37 1HG ARG 37 -9.689 6.997 -3.468
253 HG3 ARG 37 2HG ARG 37 -8.817 8.451 -3.957
254 HD2 ARG 37 1HD ARG 37 -7.573 7.346 -5.521
255 HD3 ARG 37 2HD ARG 37 -7.622 5.821 -4.639
256 HE ARG 37 HE ARG 37 -10.173 6.097 -5.415
257 HH11 ARG 37 1HH1 ARG 37 -7.169 6.394 -7.150
258 HH12 ARG 37 2HH1 ARG 37 -7.840 5.875 -8.661
259 HH21 ARG 37 1HH2 ARG 37 -11.068 5.412 -7.398
260 HH22 ARG 37 2HH2 ARG 37 -10.058 5.317 -8.801
261 H GLU 38 H GLU 38 -10.043 9.766 -1.474
262 HA GLU 38 HA GLU 38 -12.039 9.853 -0.350
263 HB2 GLU 38 1HB GLU 38 -12.186 7.994 -2.197
264 HB3 GLU 38 2HB GLU 38 -12.287 6.907 -0.819
265 HG2 GLU 38 1HG GLU 38 -14.106 9.271 -1.089
266 HG3 GLU 38 2HG GLU 38 -14.465 7.728 -1.862
267 H LYS 39 H LYS 39 -9.853 9.478 1.398
268 HA LYS 39 HA LYS 39 -10.199 7.398 3.250
269 HB2 LYS 39 1HB LYS 39 -8.302 9.227 2.935
270 HB3 LYS 39 2HB LYS 39 -9.228 10.063 4.175
271 HG2 LYS 39 1HG LYS 39 -9.070 7.691 5.354
272 HG3 LYS 39 2HG LYS 39 -7.622 7.580 4.350
273 HD2 LYS 39 1HD LYS 39 -6.653 9.476 5.357
274 HD3 LYS 39 2HD LYS 39 -8.184 9.971 6.085
275 HE2 LYS 39 1HE LYS 39 -7.037 7.320 6.814
276 HE3 LYS 39 2HE LYS 39 -6.314 8.772 7.504
277 HZ1 LYS 39 3HZ LYS 39 -8.555 7.454 8.404
278 HZ2 LYS 39 1HZ LYS 39 -9.146 8.864 7.680
279 HZ3 LYS 39 2HZ LYS 39 -7.995 8.967 8.914
280 H SER 40 H SER 40 -12.181 7.035 4.078
281 HA SER 40 HA SER 40 -14.267 7.497 4.967
282 HB2 SER 40 1HB SER 40 -12.663 7.181 6.876
283 HB3 SER 40 2HB SER 40 -12.520 8.936 6.976
284 HG SER 40 HG SER 40 -14.666 9.069 7.527
285 H SER 41 H SER 41 -13.750 9.349 2.951
286 HA SER 41 HA SER 41 -14.168 12.025 3.869
287 HB2 SER 41 1HB SER 41 -14.491 10.817 1.112
288 HB3 SER 41 2HB SER 41 -14.518 12.543 1.471
289 HG SER 41 HG SER 41 -12.385 12.426 2.106
290 H GLY 42 H GLY 42 -16.045 13.306 3.629
291 HA2 GLY 42 1HA GLY 42 -18.352 13.616 3.130
292 HA3 GLY 42 2HA GLY 42 -18.553 11.870 3.116
293 HA PRO 43 HA PRO 43 -20.383 12.432 7.103
294 HB2 PRO 43 1HB PRO 43 -20.628 9.802 7.727
295 HB3 PRO 43 2HB PRO 43 -21.694 10.620 6.579
296 HG2 PRO 43 1HG PRO 43 -19.313 8.885 6.047
297 HG3 PRO 43 2HG PRO 43 -20.887 8.906 5.231
298 HD2 PRO 43 1HD PRO 43 -18.691 10.099 4.190
299 HD3 PRO 43 2HD PRO 43 -20.331 10.727 3.932
300 H SER 44 H SER 44 -19.920 11.981 9.340
301 HA SER 44 HA SER 44 -17.117 11.978 9.902
302 HB2 SER 44 1HB SER 44 -18.893 13.271 11.176
303 HB3 SER 44 2HB SER 44 -19.353 11.740 11.921
304 HG SER 44 HG SER 44 -16.731 11.952 12.132
305 H SER 45 H SER 45 -19.767 9.804 10.890
306 HA SER 45 HA SER 45 -18.075 7.854 12.034
307 HB2 SER 45 1HB SER 45 -20.521 8.099 12.513
308 HB3 SER 45 2HB SER 45 -20.855 7.429 10.916
309 HG SER 45 HG SER 45 -20.909 5.719 12.284
310 H GLY 46 H GLY 46 -16.936 6.237 11.163
311 HA2 GLY 46 1HA GLY 46 -17.350 4.514 9.199
312 HA3 GLY 46 2HA GLY 46 -16.977 5.949 8.256
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.487 -18.933 15.730
2 HA2 GLY 1 1HA GLY 1 4.417 -20.952 15.562
3 HA3 GLY 1 2HA GLY 1 2.925 -21.588 14.885
4 H SER 2 H SER 2 5.280 -18.967 14.611
5 HA SER 2 HA SER 2 4.451 -18.614 11.806
6 HB2 SER 2 1HB SER 2 5.663 -16.681 13.780
7 HB3 SER 2 2HB SER 2 5.663 -16.369 12.044
8 HG SER 2 HG SER 2 3.691 -15.717 12.269
9 H SER 3 H SER 3 6.070 -18.368 10.211
10 HA SER 3 HA SER 3 8.733 -19.343 11.011
11 HB2 SER 3 1HB SER 3 7.278 -21.040 9.794
12 HB3 SER 3 2HB SER 3 7.406 -19.997 8.377
13 HG SER 3 HG SER 3 9.619 -21.076 9.790
14 H GLY 4 H GLY 4 8.136 -16.636 10.852
15 HA2 GLY 4 1HA GLY 4 8.712 -14.669 9.792
16 HA3 GLY 4 2HA GLY 4 10.183 -15.555 9.418
17 H SER 5 H SER 5 10.596 -14.862 7.387
18 HA SER 5 HA SER 5 10.463 -14.816 5.113
19 HB2 SER 5 1HB SER 5 9.561 -17.158 5.424
20 HB3 SER 5 2HB SER 5 7.941 -16.466 5.354
21 HG SER 5 HG SER 5 9.534 -17.132 3.336
22 H SER 6 H SER 6 9.434 -12.695 6.576
23 HA SER 6 HA SER 6 6.836 -11.905 5.834
24 HB2 SER 6 1HB SER 6 7.648 -9.591 6.421
25 HB3 SER 6 2HB SER 6 7.907 -10.801 7.677
26 HG SER 6 HG SER 6 9.717 -9.287 6.964
27 H GLY 7 H GLY 7 10.005 -11.037 4.456
28 HA2 GLY 7 1HA GLY 7 9.539 -11.198 1.824
29 HA3 GLY 7 2HA GLY 7 8.723 -9.693 2.222
30 H SER 8 H SER 8 11.494 -10.893 1.015
31 HA SER 8 HA SER 8 13.390 -9.174 2.335
32 HB2 SER 8 1HB SER 8 15.026 -10.135 0.924
33 HB3 SER 8 2HB SER 8 13.887 -11.443 1.241
34 HG SER 8 HG SER 8 14.623 -10.461 -1.101
35 H GLY 9 H GLY 9 14.116 -7.213 1.701
36 HA2 GLY 9 1HA GLY 9 14.061 -6.125 -0.855
37 HA3 GLY 9 2HA GLY 9 12.542 -5.677 -0.093
38 H GLU 10 H GLU 10 15.967 -5.178 -0.180
39 HA GLU 10 HA GLU 10 15.894 -3.324 2.066
40 HB2 GLU 10 1HB GLU 10 18.119 -4.369 0.322
41 HB3 GLU 10 2HB GLU 10 18.366 -3.072 1.483
42 HG2 GLU 10 1HG GLU 10 17.128 -5.618 2.400
43 HG3 GLU 10 2HG GLU 10 18.866 -5.556 2.115
44 H ARG 11 H ARG 11 14.673 -1.606 1.331
45 HA ARG 11 HA ARG 11 15.771 -0.128 -0.970
46 HB2 ARG 11 1HB ARG 11 12.973 -0.367 0.103
47 HB3 ARG 11 2HB ARG 11 13.443 0.996 -0.905
48 HG2 ARG 11 1HG ARG 11 13.855 -1.845 -1.776
49 HG3 ARG 11 2HG ARG 11 12.342 -0.981 -2.055
50 HD2 ARG 11 1HD ARG 11 13.623 0.783 -3.234
51 HD3 ARG 11 2HD ARG 11 15.081 -0.187 -3.033
52 HE ARG 11 HE ARG 11 12.913 -1.562 -4.341
53 HH11 ARG 11 1HH1 ARG 11 15.699 0.484 -4.757
54 HH12 ARG 11 2HH1 ARG 11 15.949 0.030 -6.410
55 HH21 ARG 11 1HH2 ARG 11 13.231 -2.168 -6.517
56 HH22 ARG 11 2HH2 ARG 11 14.544 -1.478 -7.410
57 HA PRO 12 HA PRO 12 16.821 3.264 1.608
58 HB2 PRO 12 1HB PRO 12 16.298 5.373 -0.020
59 HB3 PRO 12 2HB PRO 12 17.668 4.285 -0.269
60 HG2 PRO 12 1HG PRO 12 14.997 4.307 -1.621
61 HG3 PRO 12 2HG PRO 12 16.607 4.079 -2.328
62 HD2 PRO 12 1HD PRO 12 14.937 2.012 -1.809
63 HD3 PRO 12 2HD PRO 12 16.703 1.861 -1.707
64 H PHE 13 H PHE 13 13.627 3.191 0.182
65 HA PHE 13 HA PHE 13 12.626 4.741 2.474
66 HB2 PHE 13 1HB PHE 13 11.813 4.983 -0.423
67 HB3 PHE 13 2HB PHE 13 10.835 5.612 0.899
68 HD1 PHE 13 HD1 PHE 13 14.288 5.783 -0.484
69 HD2 PHE 13 HD2 PHE 13 11.173 7.774 1.625
70 HE1 PHE 13 HE1 PHE 13 15.605 7.861 -0.507
71 HE2 PHE 13 HE2 PHE 13 12.485 9.855 1.605
72 HZ PHE 13 HZ PHE 13 14.704 9.901 0.538
73 H LYS 14 H LYS 14 10.305 4.349 2.924
74 HA LYS 14 HA LYS 14 9.176 1.888 1.891
75 HB2 LYS 14 1HB LYS 14 10.554 0.961 3.619
76 HB3 LYS 14 2HB LYS 14 10.035 2.186 4.770
77 HG2 LYS 14 1HG LYS 14 7.828 1.252 4.859
78 HG3 LYS 14 2HG LYS 14 8.213 0.115 3.564
79 HD2 LYS 14 1HD LYS 14 9.942 0.091 5.978
80 HD3 LYS 14 2HD LYS 14 8.313 -0.570 6.132
81 HE2 LYS 14 1HE LYS 14 8.766 -2.036 4.195
82 HE3 LYS 14 2HE LYS 14 10.414 -1.415 4.139
83 HZ1 LYS 14 3HZ LYS 14 10.770 -3.231 5.412
84 HZ2 LYS 14 1HZ LYS 14 9.192 -3.273 6.021
85 HZ3 LYS 14 2HZ LYS 14 10.315 -2.182 6.659
86 H CYS 15 H CYS 15 7.000 1.455 2.914
87 HA CYS 15 HA CYS 15 5.659 4.027 3.401
88 HB2 CYS 15 1HB CYS 15 4.874 2.893 1.400
89 HB3 CYS 15 2HB CYS 15 4.572 1.421 2.317
90 H ASN 16 H ASN 16 4.861 4.415 5.352
91 HA ASN 16 HA ASN 16 4.870 2.328 7.356
92 HB2 ASN 16 1HB ASN 16 4.014 5.215 7.642
93 HB3 ASN 16 2HB ASN 16 4.412 4.097 8.943
94 HD21 ASN 16 1HD2 ASN 16 5.545 6.723 7.978
95 HD22 ASN 16 2HD2 ASN 16 7.243 6.430 7.856
96 H GLU 17 H GLU 17 2.890 2.404 5.077
97 HA GLU 17 HA GLU 17 0.414 2.440 6.671
98 HB2 GLU 17 1HB GLU 17 0.533 2.499 3.664
99 HB3 GLU 17 2HB GLU 17 -0.811 2.932 4.710
100 HG2 GLU 17 1HG GLU 17 1.749 4.472 4.803
101 HG3 GLU 17 2HG GLU 17 0.540 4.798 3.561
102 H CYS 18 H CYS 18 1.903 0.730 3.918
103 HA CYS 18 HA CYS 18 0.520 -1.714 4.814
104 HB2 CYS 18 1HB CYS 18 0.715 -2.488 2.458
105 HB3 CYS 18 2HB CYS 18 -0.267 -1.036 2.628
106 H GLY 19 H GLY 19 3.525 -0.433 3.438
107 HA2 GLY 19 1HA GLY 19 5.543 -1.313 4.672
108 HA3 GLY 19 2HA GLY 19 4.881 -2.903 4.324
109 H LYS 20 H LYS 20 4.543 -0.441 1.932
110 HA LYS 20 HA LYS 20 6.070 -1.967 0.047
111 HB2 LYS 20 1HB LYS 20 3.990 -0.599 -0.461
112 HB3 LYS 20 2HB LYS 20 5.006 0.831 -0.334
113 HG2 LYS 20 1HG LYS 20 4.705 0.158 -2.651
114 HG3 LYS 20 2HG LYS 20 6.396 0.025 -2.162
115 HD2 LYS 20 1HD LYS 20 6.338 -2.295 -2.137
116 HD3 LYS 20 2HD LYS 20 4.582 -2.348 -1.972
117 HE2 LYS 20 1HE LYS 20 5.041 -3.017 -4.187
118 HE3 LYS 20 2HE LYS 20 4.470 -1.353 -4.297
119 HZ1 LYS 20 3HZ LYS 20 6.308 -1.276 -5.627
120 HZ2 LYS 20 1HZ LYS 20 7.166 -2.425 -4.729
121 HZ3 LYS 20 2HZ LYS 20 7.011 -0.843 -4.150
122 H GLY 21 H GLY 21 7.846 -1.094 -1.235
123 HA2 GLY 21 1HA GLY 21 9.413 0.987 0.128
124 HA3 GLY 21 2HA GLY 21 10.152 -0.578 -0.177
125 H PHE 22 H PHE 22 10.594 2.280 -1.180
126 HA PHE 22 HA PHE 22 10.842 1.526 -4.008
127 HB2 PHE 22 1HB PHE 22 9.986 4.260 -3.035
128 HB3 PHE 22 2HB PHE 22 10.199 3.767 -4.712
129 HD1 PHE 22 HD2 PHE 22 8.267 2.845 -1.663
130 HD2 PHE 22 HD1 PHE 22 8.363 3.072 -5.912
131 HE1 PHE 22 HE2 PHE 22 5.911 2.143 -1.750
132 HE2 PHE 22 HE1 PHE 22 6.006 2.371 -6.006
133 HZ PHE 22 HZ PHE 22 4.777 1.905 -3.924
134 H GLY 23 H GLY 23 12.436 2.909 -5.181
135 HA2 GLY 23 1HA GLY 23 14.785 3.257 -3.487
136 HA3 GLY 23 2HA GLY 23 14.763 3.224 -5.244
137 H ARG 24 H ARG 24 12.764 5.177 -5.665
138 HA ARG 24 HA ARG 24 14.320 7.567 -5.018
139 HB2 ARG 24 1HB ARG 24 12.249 6.925 -7.097
140 HB3 ARG 24 2HB ARG 24 12.651 8.594 -6.718
141 HG2 ARG 24 1HG ARG 24 13.966 8.023 -8.576
142 HG3 ARG 24 2HG ARG 24 15.058 7.983 -7.190
143 HD2 ARG 24 1HD ARG 24 14.574 5.491 -7.075
144 HD3 ARG 24 2HD ARG 24 13.828 5.668 -8.663
145 HE ARG 24 HE ARG 24 16.264 6.773 -9.017
146 HH11 ARG 24 1HH1 ARG 24 15.206 3.730 -7.698
147 HH12 ARG 24 2HH1 ARG 24 16.631 2.874 -8.186
148 HH21 ARG 24 1HH2 ARG 24 18.145 5.657 -9.665
149 HH22 ARG 24 2HH2 ARG 24 18.302 3.971 -9.304
150 H ARG 25 H ARG 25 13.578 9.199 -3.775
151 HA ARG 25 HA ARG 25 11.628 8.810 -1.866
152 HB2 ARG 25 1HB ARG 25 13.440 10.601 -1.944
153 HB3 ARG 25 2HB ARG 25 12.341 11.530 -2.954
154 HG2 ARG 25 1HG ARG 25 11.836 10.617 -0.130
155 HG3 ARG 25 2HG ARG 25 12.189 12.263 -0.661
156 HD2 ARG 25 1HD ARG 25 10.088 11.817 -2.210
157 HD3 ARG 25 2HD ARG 25 9.699 10.662 -0.936
158 HE ARG 25 HE ARG 25 9.678 13.548 -0.742
159 HH11 ARG 25 1HH1 ARG 25 9.699 10.512 0.961
160 HH12 ARG 25 2HH1 ARG 25 9.044 11.177 2.420
161 HH21 ARG 25 1HH2 ARG 25 8.815 14.435 1.174
162 HH22 ARG 25 2HH2 ARG 25 8.541 13.408 2.540
163 H SER 26 H SER 26 11.335 10.549 -4.951
164 HA SER 26 HA SER 26 8.628 11.284 -4.617
165 HB2 SER 26 1HB SER 26 10.394 12.165 -6.310
166 HB3 SER 26 2HB SER 26 9.868 10.816 -7.317
167 HG SER 26 HG SER 26 7.965 12.551 -6.190
168 H HIS 27 H HIS 27 10.187 8.449 -5.997
169 HA HIS 27 HA HIS 27 8.016 7.277 -7.278
170 HB2 HIS 27 1HB HIS 27 10.525 6.237 -6.044
171 HB3 HIS 27 2HB HIS 27 9.280 5.078 -6.499
172 HD1 HIS 27 HD1 HIS 27 11.134 4.236 -8.242
173 HD2 HIS 27 HD2 HIS 27 9.524 7.998 -8.961
174 HE1 HIS 27 HE1 HIS 27 11.715 4.771 -10.629
175 H LEU 28 H LEU 28 8.927 7.254 -3.879
176 HA LEU 28 HA LEU 28 6.815 5.416 -3.162
177 HB2 LEU 28 1HB LEU 28 8.691 5.184 -1.813
178 HB3 LEU 28 2HB LEU 28 8.915 6.926 -1.660
179 HG LEU 28 HG LEU 28 6.800 6.932 -0.259
180 HD11 LEU 28 1HD1 LEU 28 6.823 4.194 -1.034
181 HD12 LEU 28 2HD1 LEU 28 5.632 5.061 -0.066
182 HD13 LEU 28 3HD1 LEU 28 7.011 4.289 0.717
183 HD21 LEU 28 3HD2 LEU 28 8.860 5.255 1.083
184 HD22 LEU 28 1HD2 LEU 28 8.029 6.701 1.657
185 HD23 LEU 28 2HD2 LEU 28 9.328 6.842 0.471
186 H ALA 29 H ALA 29 7.543 8.847 -2.553
187 HA ALA 29 HA ALA 29 5.496 9.696 -1.045
188 HB1 ALA 29 3HB ALA 29 6.852 11.421 -1.693
189 HB2 ALA 29 1HB ALA 29 6.848 10.935 -3.388
190 HB3 ALA 29 2HB ALA 29 5.441 11.744 -2.699
191 H GLY 30 H GLY 30 5.252 8.903 -4.489
192 HA2 GLY 30 1HA GLY 30 2.535 9.689 -4.770
193 HA3 GLY 30 2HA GLY 30 3.428 8.645 -5.866
194 H HIS 31 H HIS 31 4.090 6.650 -3.902
195 HA HIS 31 HA HIS 31 1.887 4.952 -4.160
196 HB2 HIS 31 1HB HIS 31 4.066 4.010 -3.829
197 HB3 HIS 31 2HB HIS 31 4.259 4.848 -2.292
198 HD1 HIS 31 HD1 HIS 31 2.308 2.015 -3.852
199 HD2 HIS 31 HD2 HIS 31 3.296 3.502 -0.100
200 HE1 HIS 31 HE1 HIS 31 1.533 0.273 -2.212
201 H LEU 32 H LEU 32 2.538 7.419 -1.869
202 HA LEU 32 HA LEU 32 0.622 6.376 0.066
203 HB2 LEU 32 1HB LEU 32 2.270 8.900 0.099
204 HB3 LEU 32 2HB LEU 32 1.257 8.320 1.420
205 HG LEU 32 HG LEU 32 3.262 7.583 2.177
206 HD11 LEU 32 1HD1 LEU 32 2.455 5.426 0.236
207 HD12 LEU 32 2HD1 LEU 32 1.988 5.574 1.930
208 HD13 LEU 32 3HD1 LEU 32 3.663 5.220 1.505
209 HD21 LEU 32 3HD2 LEU 32 4.502 6.686 -0.328
210 HD22 LEU 32 1HD2 LEU 32 5.176 7.625 1.004
211 HD23 LEU 32 2HD2 LEU 32 4.199 8.421 -0.229
212 H ARG 33 H ARG 33 0.880 8.766 -2.444
213 HA ARG 33 HA ARG 33 -1.202 10.485 -1.761
214 HB2 ARG 33 1HB ARG 33 -0.125 9.615 -4.439
215 HB3 ARG 33 2HB ARG 33 -1.387 10.829 -4.281
216 HG2 ARG 33 1HG ARG 33 0.322 11.957 -2.651
217 HG3 ARG 33 2HG ARG 33 1.491 10.977 -3.538
218 HD2 ARG 33 1HD ARG 33 1.499 12.898 -4.794
219 HD3 ARG 33 2HD ARG 33 0.263 11.960 -5.632
220 HE ARG 33 HE ARG 33 -1.206 13.344 -3.879
221 HH11 ARG 33 1HH1 ARG 33 1.331 14.333 -6.048
222 HH12 ARG 33 2HH1 ARG 33 0.699 15.931 -6.267
223 HH21 ARG 33 1HH2 ARG 33 -2.048 15.445 -4.159
224 HH22 ARG 33 2HH2 ARG 33 -1.222 16.563 -5.191
225 H LEU 34 H LEU 34 -1.263 7.272 -3.107
226 HA LEU 34 HA LEU 34 -4.040 7.389 -3.867
227 HB2 LEU 34 1HB LEU 34 -3.798 5.054 -4.420
228 HB3 LEU 34 2HB LEU 34 -2.440 5.973 -5.066
229 HG LEU 34 HG LEU 34 -1.245 5.172 -2.876
230 HD11 LEU 34 1HD1 LEU 34 -3.701 3.549 -2.969
231 HD12 LEU 34 2HD1 LEU 34 -2.670 3.978 -1.605
232 HD13 LEU 34 3HD1 LEU 34 -2.201 2.665 -2.685
233 HD21 LEU 34 3HD2 LEU 34 -0.178 3.566 -4.133
234 HD22 LEU 34 1HD2 LEU 34 -0.922 4.552 -5.391
235 HD23 LEU 34 2HD2 LEU 34 -1.668 3.028 -4.910
236 H HIS 35 H HIS 35 -2.238 6.631 -1.033
237 HA HIS 35 HA HIS 35 -4.147 4.957 0.240
238 HB2 HIS 35 1HB HIS 35 -1.702 6.433 1.067
239 HB3 HIS 35 2HB HIS 35 -2.829 5.971 2.339
240 HD1 HIS 35 HD1 HIS 35 -3.520 3.260 2.135
241 HD2 HIS 35 HD2 HIS 35 0.118 4.509 0.566
242 HE1 HIS 35 HE1 HIS 35 -2.117 1.181 1.953
243 H SER 36 H SER 36 -3.630 8.432 0.130
244 HA SER 36 HA SER 36 -5.431 9.119 2.201
245 HB2 SER 36 1HB SER 36 -3.876 10.789 1.576
246 HB3 SER 36 2HB SER 36 -4.290 10.652 -0.132
247 HG SER 36 HG SER 36 -5.636 12.210 0.241
248 H ARG 37 H ARG 37 -5.909 8.036 -1.001
249 HA ARG 37 HA ARG 37 -8.147 9.212 -1.954
250 HB2 ARG 37 1HB ARG 37 -6.843 7.099 -2.769
251 HB3 ARG 37 2HB ARG 37 -8.071 6.217 -1.871
252 HG2 ARG 37 1HG ARG 37 -9.811 7.351 -3.210
253 HG3 ARG 37 2HG ARG 37 -8.535 8.121 -4.155
254 HD2 ARG 37 1HD ARG 37 -8.931 6.316 -5.486
255 HD3 ARG 37 2HD ARG 37 -7.724 5.612 -4.410
256 HE ARG 37 HE ARG 37 -10.083 5.069 -3.179
257 HH11 ARG 37 1HH1 ARG 37 -8.835 4.513 -6.382
258 HH12 ARG 37 2HH1 ARG 37 -9.760 3.069 -6.633
259 HH21 ARG 37 1HH2 ARG 37 -11.306 3.170 -3.498
260 HH22 ARG 37 2HH2 ARG 37 -11.166 2.307 -4.993
261 H GLU 38 H GLU 38 -8.256 6.425 0.277
262 HA GLU 38 HA GLU 38 -11.008 7.152 0.965
263 HB2 GLU 38 1HB GLU 38 -10.379 4.790 0.281
264 HB3 GLU 38 2HB GLU 38 -9.514 4.670 1.806
265 HG2 GLU 38 1HG GLU 38 -12.407 5.430 1.718
266 HG3 GLU 38 2HG GLU 38 -11.896 3.744 1.676
267 H LYS 39 H LYS 39 -7.871 6.487 2.467
268 HA LYS 39 HA LYS 39 -8.371 6.619 5.115
269 HB2 LYS 39 1HB LYS 39 -6.124 6.388 4.597
270 HB3 LYS 39 2HB LYS 39 -6.139 7.735 3.465
271 HG2 LYS 39 1HG LYS 39 -6.594 8.286 6.354
272 HG3 LYS 39 2HG LYS 39 -4.958 7.934 5.794
273 HD2 LYS 39 1HD LYS 39 -6.559 9.918 4.266
274 HD3 LYS 39 2HD LYS 39 -5.927 10.403 5.841
275 HE2 LYS 39 1HE LYS 39 -4.175 9.127 3.764
276 HE3 LYS 39 2HE LYS 39 -4.488 10.862 3.766
277 HZ1 LYS 39 3HZ LYS 39 -3.206 11.178 5.568
278 HZ2 LYS 39 1HZ LYS 39 -2.488 9.720 5.099
279 HZ3 LYS 39 2HZ LYS 39 -3.669 9.730 6.309
280 H SER 40 H SER 40 -8.516 9.299 2.858
281 HA SER 40 HA SER 40 -9.059 11.193 5.010
282 HB2 SER 40 1HB SER 40 -7.548 11.770 3.069
283 HB3 SER 40 2HB SER 40 -8.979 11.745 2.039
284 HG SER 40 HG SER 40 -8.887 13.810 2.643
285 H SER 41 H SER 41 -11.081 10.483 5.722
286 HA SER 41 HA SER 41 -13.282 10.518 3.793
287 HB2 SER 41 1HB SER 41 -12.875 9.335 6.497
288 HB3 SER 41 2HB SER 41 -14.516 9.797 6.049
289 HG SER 41 HG SER 41 -12.875 7.803 5.010
290 H GLY 42 H GLY 42 -14.554 12.235 3.586
291 HA2 GLY 42 1HA GLY 42 -14.734 14.119 5.855
292 HA3 GLY 42 2HA GLY 42 -14.531 14.680 4.202
293 HA PRO 43 HA PRO 43 -19.098 13.968 5.470
294 HB2 PRO 43 1HB PRO 43 -19.775 16.494 6.198
295 HB3 PRO 43 2HB PRO 43 -19.189 15.287 7.349
296 HG2 PRO 43 1HG PRO 43 -17.697 17.515 6.018
297 HG3 PRO 43 2HG PRO 43 -17.631 16.976 7.706
298 HD2 PRO 43 1HD PRO 43 -15.748 16.293 5.884
299 HD3 PRO 43 2HD PRO 43 -16.213 15.224 7.223
300 H SER 44 H SER 44 -17.198 15.621 3.330
301 HA SER 44 HA SER 44 -19.134 17.199 1.961
302 HB2 SER 44 1HB SER 44 -16.708 17.625 1.780
303 HB3 SER 44 2HB SER 44 -16.507 16.083 0.947
304 HG SER 44 HG SER 44 -16.667 17.760 -0.556
305 H SER 45 H SER 45 -20.929 16.068 1.378
306 HA SER 45 HA SER 45 -20.705 13.512 0.037
307 HB2 SER 45 1HB SER 45 -22.547 13.809 1.583
308 HB3 SER 45 2HB SER 45 -23.102 15.235 0.707
309 HG SER 45 HG SER 45 -22.934 12.643 -0.432
310 H GLY 46 H GLY 46 -21.793 16.796 -0.777
311 HA2 GLY 46 1HA GLY 46 -22.277 16.117 -3.533
312 HA3 GLY 46 2HA GLY 46 -22.333 17.726 -2.828
Start of MODEL 9
1 H1 GLY 1 H GLY 1 8.367 -9.033 13.791
2 HA2 GLY 1 1HA GLY 1 7.527 -10.874 12.695
3 HA3 GLY 1 2HA GLY 1 8.277 -10.145 11.283
4 H SER 2 H SER 2 8.552 -12.359 10.551
5 HA SER 2 HA SER 2 10.704 -13.810 11.928
6 HB2 SER 2 1HB SER 2 9.987 -15.731 10.458
7 HB3 SER 2 2HB SER 2 8.767 -15.190 11.610
8 HG SER 2 HG SER 2 7.667 -15.292 9.752
9 H SER 3 H SER 3 9.638 -13.083 8.602
10 HA SER 3 HA SER 3 12.327 -12.346 7.850
11 HB2 SER 3 1HB SER 3 11.002 -14.779 6.628
12 HB3 SER 3 2HB SER 3 12.450 -14.000 5.991
13 HG SER 3 HG SER 3 12.960 -15.772 7.343
14 H GLY 4 H GLY 4 12.216 -10.714 6.453
15 HA2 GLY 4 1HA GLY 4 9.701 -10.364 4.945
16 HA3 GLY 4 2HA GLY 4 10.703 -9.039 5.518
17 H SER 5 H SER 5 11.393 -12.026 3.699
18 HA SER 5 HA SER 5 13.146 -10.548 1.930
19 HB2 SER 5 1HB SER 5 13.923 -12.715 2.609
20 HB3 SER 5 2HB SER 5 12.413 -13.476 2.111
21 HG SER 5 HG SER 5 13.798 -12.059 0.164
22 H SER 6 H SER 6 10.118 -12.376 1.687
23 HA SER 6 HA SER 6 9.814 -11.766 -1.116
24 HB2 SER 6 1HB SER 6 7.627 -12.917 -0.875
25 HB3 SER 6 2HB SER 6 8.968 -13.888 -0.268
26 HG SER 6 HG SER 6 6.793 -12.982 1.040
27 H GLY 7 H GLY 7 10.109 -9.426 0.349
28 HA2 GLY 7 1HA GLY 7 7.607 -8.101 -0.319
29 HA3 GLY 7 2HA GLY 7 8.082 -8.018 1.371
30 H SER 8 H SER 8 8.633 -5.934 1.630
31 HA SER 8 HA SER 8 10.744 -4.880 -0.135
32 HB2 SER 8 1HB SER 8 8.432 -3.366 1.100
33 HB3 SER 8 2HB SER 8 9.776 -2.614 0.241
34 HG SER 8 HG SER 8 9.149 -3.895 -1.595
35 H GLY 9 H GLY 9 12.547 -4.211 0.848
36 HA2 GLY 9 1HA GLY 9 12.579 -3.071 3.466
37 HA3 GLY 9 2HA GLY 9 13.146 -4.734 3.487
38 H GLU 10 H GLU 10 14.318 -4.532 0.801
39 HA GLU 10 HA GLU 10 16.844 -3.369 1.612
40 HB2 GLU 10 1HB GLU 10 16.022 -4.910 -0.853
41 HB3 GLU 10 2HB GLU 10 17.653 -4.322 -0.563
42 HG2 GLU 10 1HG GLU 10 17.724 -5.673 1.508
43 HG3 GLU 10 2HG GLU 10 16.141 -6.328 1.092
44 H ARG 11 H ARG 11 14.882 -1.426 1.310
45 HA ARG 11 HA ARG 11 15.865 0.018 -1.061
46 HB2 ARG 11 1HB ARG 11 13.084 -0.397 -0.093
47 HB3 ARG 11 2HB ARG 11 13.481 1.189 -0.741
48 HG2 ARG 11 1HG ARG 11 12.648 0.018 -2.568
49 HG3 ARG 11 2HG ARG 11 14.399 -0.073 -2.767
50 HD2 ARG 11 1HD ARG 11 14.242 -2.302 -1.525
51 HD3 ARG 11 2HD ARG 11 12.506 -2.203 -1.821
52 HE ARG 11 HE ARG 11 14.575 -2.765 -3.754
53 HH11 ARG 11 1HH1 ARG 11 11.292 -1.726 -3.241
54 HH12 ARG 11 2HH1 ARG 11 10.765 -2.171 -4.830
55 HH21 ARG 11 1HH2 ARG 11 13.894 -3.356 -5.849
56 HH22 ARG 11 2HH2 ARG 11 12.246 -3.099 -6.312
57 HA PRO 12 HA PRO 12 16.960 3.346 1.579
58 HB2 PRO 12 1HB PRO 12 16.356 5.511 0.055
59 HB3 PRO 12 2HB PRO 12 17.724 4.445 -0.289
60 HG2 PRO 12 1HG PRO 12 15.002 4.496 -1.533
61 HG3 PRO 12 2HG PRO 12 16.584 4.308 -2.311
62 HD2 PRO 12 1HD PRO 12 14.951 2.208 -1.808
63 HD3 PRO 12 2HD PRO 12 16.720 2.069 -1.781
64 H PHE 13 H PHE 13 13.729 3.467 0.173
65 HA PHE 13 HA PHE 13 12.806 4.894 2.581
66 HB2 PHE 13 1HB PHE 13 11.872 5.154 -0.277
67 HB3 PHE 13 2HB PHE 13 10.928 5.741 1.088
68 HD1 PHE 13 HD1 PHE 13 14.211 6.075 -0.599
69 HD2 PHE 13 HD2 PHE 13 11.356 7.835 2.022
70 HE1 PHE 13 HE1 PHE 13 15.480 8.183 -0.637
71 HE2 PHE 13 HE2 PHE 13 12.620 9.945 1.987
72 HZ PHE 13 HZ PHE 13 14.685 10.122 0.656
73 H LYS 14 H LYS 14 10.441 4.510 3.028
74 HA LYS 14 HA LYS 14 9.350 2.007 2.073
75 HB2 LYS 14 1HB LYS 14 10.931 1.370 3.913
76 HB3 LYS 14 2HB LYS 14 9.952 2.328 5.017
77 HG2 LYS 14 1HG LYS 14 7.999 0.867 4.320
78 HG3 LYS 14 2HG LYS 14 9.197 -0.189 3.569
79 HD2 LYS 14 1HD LYS 14 10.364 -0.218 5.827
80 HD3 LYS 14 2HD LYS 14 8.900 0.522 6.477
81 HE2 LYS 14 1HE LYS 14 8.498 -1.722 6.835
82 HE3 LYS 14 2HE LYS 14 7.696 -1.453 5.288
83 HZ1 LYS 14 3HZ LYS 14 10.087 -2.131 4.422
84 HZ2 LYS 14 1HZ LYS 14 8.893 -3.282 4.760
85 HZ3 LYS 14 2HZ LYS 14 10.113 -2.971 5.890
86 H CYS 15 H CYS 15 7.158 1.639 2.810
87 HA CYS 15 HA CYS 15 5.804 4.168 3.406
88 HB2 CYS 15 1HB CYS 15 4.927 3.180 1.445
89 HB3 CYS 15 2HB CYS 15 4.886 1.577 2.173
90 H ASN 16 H ASN 16 4.312 4.380 5.067
91 HA ASN 16 HA ASN 16 4.647 2.459 7.244
92 HB2 ASN 16 1HB ASN 16 3.428 5.230 7.232
93 HB3 ASN 16 2HB ASN 16 3.646 4.223 8.660
94 HD21 ASN 16 1HD2 ASN 16 5.090 6.411 6.487
95 HD22 ASN 16 2HD2 ASN 16 6.667 6.434 7.194
96 H GLU 17 H GLU 17 2.267 3.659 5.021
97 HA GLU 17 HA GLU 17 -0.090 2.952 6.331
98 HB2 GLU 17 1HB GLU 17 0.395 2.740 3.358
99 HB3 GLU 17 2HB GLU 17 -1.146 2.981 4.168
100 HG2 GLU 17 1HG GLU 17 1.097 4.959 4.388
101 HG3 GLU 17 2HG GLU 17 -0.075 5.003 3.072
102 H CYS 18 H CYS 18 1.696 1.050 3.897
103 HA CYS 18 HA CYS 18 0.517 -1.379 5.080
104 HB2 CYS 18 1HB CYS 18 0.668 -2.418 2.860
105 HB3 CYS 18 2HB CYS 18 -0.336 -0.973 2.821
106 H GLY 19 H GLY 19 3.366 -0.014 3.472
107 HA2 GLY 19 1HA GLY 19 5.477 -0.550 4.754
108 HA3 GLY 19 2HA GLY 19 4.961 -2.224 4.612
109 H LYS 20 H LYS 20 4.276 -0.223 1.922
110 HA LYS 20 HA LYS 20 5.771 -1.784 0.135
111 HB2 LYS 20 1HB LYS 20 3.792 -0.386 -0.466
112 HB3 LYS 20 2HB LYS 20 4.798 1.046 -0.290
113 HG2 LYS 20 1HG LYS 20 4.682 0.554 -2.601
114 HG3 LYS 20 2HG LYS 20 6.298 0.095 -2.059
115 HD2 LYS 20 1HD LYS 20 5.629 -1.698 -3.395
116 HD3 LYS 20 2HD LYS 20 5.302 -2.256 -1.752
117 HE2 LYS 20 1HE LYS 20 2.978 -1.836 -1.981
118 HE3 LYS 20 2HE LYS 20 3.219 -0.941 -3.481
119 HZ1 LYS 20 3HZ LYS 20 3.687 -3.850 -3.104
120 HZ2 LYS 20 1HZ LYS 20 3.938 -2.994 -4.542
121 HZ3 LYS 20 2HZ LYS 20 2.375 -3.155 -3.916
122 H GLY 21 H GLY 21 7.552 -1.076 -1.254
123 HA2 GLY 21 1HA GLY 21 9.324 0.897 0.030
124 HA3 GLY 21 2HA GLY 21 9.930 -0.705 -0.362
125 H PHE 22 H PHE 22 10.652 2.052 -1.313
126 HA PHE 22 HA PHE 22 10.649 1.390 -4.164
127 HB2 PHE 22 1HB PHE 22 9.952 4.131 -3.088
128 HB3 PHE 22 2HB PHE 22 10.113 3.697 -4.786
129 HD1 PHE 22 HD2 PHE 22 8.160 2.906 -1.727
130 HD2 PHE 22 HD1 PHE 22 8.271 2.950 -5.982
131 HE1 PHE 22 HE2 PHE 22 5.776 2.303 -1.792
132 HE2 PHE 22 HE1 PHE 22 5.886 2.349 -6.054
133 HZ PHE 22 HZ PHE 22 4.636 2.023 -3.957
134 H GLY 23 H GLY 23 12.235 2.777 -5.386
135 HA2 GLY 23 1HA GLY 23 14.709 2.860 -3.872
136 HA3 GLY 23 2HA GLY 23 14.540 3.059 -5.609
137 H ARG 24 H ARG 24 12.794 5.149 -5.808
138 HA ARG 24 HA ARG 24 14.435 7.344 -4.781
139 HB2 ARG 24 1HB ARG 24 12.332 7.280 -6.952
140 HB3 ARG 24 2HB ARG 24 13.223 8.716 -6.467
141 HG2 ARG 24 1HG ARG 24 15.247 7.879 -7.302
142 HG3 ARG 24 2HG ARG 24 14.613 6.236 -7.420
143 HD2 ARG 24 1HD ARG 24 14.700 7.132 -9.626
144 HD3 ARG 24 2HD ARG 24 13.005 7.072 -9.144
145 HE ARG 24 HE ARG 24 12.937 9.379 -9.164
146 HH11 ARG 24 1HH1 ARG 24 16.217 8.270 -9.526
147 HH12 ARG 24 2HH1 ARG 24 16.834 9.829 -9.964
148 HH21 ARG 24 1HH2 ARG 24 13.736 11.436 -9.740
149 HH22 ARG 24 2HH2 ARG 24 15.422 11.629 -10.085
150 H ARG 25 H ARG 25 13.486 9.198 -3.817
151 HA ARG 25 HA ARG 25 11.518 8.644 -1.894
152 HB2 ARG 25 1HB ARG 25 13.350 10.504 -1.984
153 HB3 ARG 25 2HB ARG 25 12.103 11.443 -2.794
154 HG2 ARG 25 1HG ARG 25 11.570 10.114 -0.166
155 HG3 ARG 25 2HG ARG 25 12.370 11.685 -0.256
156 HD2 ARG 25 1HD ARG 25 9.827 11.246 -1.754
157 HD3 ARG 25 2HD ARG 25 9.766 11.521 -0.014
158 HE ARG 25 HE ARG 25 10.455 13.442 -2.062
159 HH11 ARG 25 1HH1 ARG 25 10.547 12.636 1.324
160 HH12 ARG 25 2HH1 ARG 25 10.734 14.278 1.844
161 HH21 ARG 25 1HH2 ARG 25 10.701 15.608 -1.390
162 HH22 ARG 25 2HH2 ARG 25 10.820 15.968 0.299
163 H SER 26 H SER 26 11.313 10.770 -4.754
164 HA SER 26 HA SER 26 8.615 11.390 -4.565
165 HB2 SER 26 1HB SER 26 8.730 12.007 -6.911
166 HB3 SER 26 2HB SER 26 10.232 12.479 -6.117
167 HG SER 26 HG SER 26 9.992 9.992 -7.425
168 H HIS 27 H HIS 27 10.185 8.538 -5.853
169 HA HIS 27 HA HIS 27 8.010 7.443 -7.254
170 HB2 HIS 27 1HB HIS 27 10.498 6.311 -6.029
171 HB3 HIS 27 2HB HIS 27 9.260 5.217 -6.639
172 HD1 HIS 27 HD1 HIS 27 10.955 4.424 -8.469
173 HD2 HIS 27 HD2 HIS 27 9.871 8.427 -8.716
174 HE1 HIS 27 HE1 HIS 27 11.704 5.183 -10.746
175 H LEU 28 H LEU 28 8.940 7.285 -3.863
176 HA LEU 28 HA LEU 28 6.845 5.410 -3.205
177 HB2 LEU 28 1HB LEU 28 8.676 5.126 -1.835
178 HB3 LEU 28 2HB LEU 28 8.968 6.858 -1.693
179 HG LEU 28 HG LEU 28 6.855 6.941 -0.277
180 HD11 LEU 28 1HD1 LEU 28 6.782 4.210 -1.032
181 HD12 LEU 28 2HD1 LEU 28 5.656 5.100 -0.008
182 HD13 LEU 28 3HD1 LEU 28 7.047 4.288 0.710
183 HD21 LEU 28 3HD2 LEU 28 8.083 6.649 1.652
184 HD22 LEU 28 1HD2 LEU 28 9.356 6.863 0.451
185 HD23 LEU 28 2HD2 LEU 28 8.944 5.245 1.020
186 H ALA 29 H ALA 29 7.534 8.826 -2.479
187 HA ALA 29 HA ALA 29 5.472 9.596 -0.946
188 HB1 ALA 29 3HB ALA 29 7.029 10.897 -3.041
189 HB2 ALA 29 1HB ALA 29 5.440 11.622 -2.792
190 HB3 ALA 29 2HB ALA 29 6.566 11.480 -1.442
191 H GLY 30 H GLY 30 5.251 8.953 -4.424
192 HA2 GLY 30 1HA GLY 30 2.533 9.719 -4.695
193 HA3 GLY 30 2HA GLY 30 3.437 8.711 -5.815
194 H HIS 31 H HIS 31 4.093 6.658 -3.914
195 HA HIS 31 HA HIS 31 1.918 4.949 -4.240
196 HB2 HIS 31 1HB HIS 31 4.081 4.007 -3.871
197 HB3 HIS 31 2HB HIS 31 4.254 4.843 -2.331
198 HD1 HIS 31 HD1 HIS 31 2.296 2.022 -3.913
199 HD2 HIS 31 HD2 HIS 31 3.313 3.472 -0.154
200 HE1 HIS 31 HE1 HIS 31 1.522 0.269 -2.285
201 H LEU 32 H LEU 32 2.503 7.360 -1.861
202 HA LEU 32 HA LEU 32 0.546 6.265 -0.004
203 HB2 LEU 32 1HB LEU 32 2.135 8.824 0.118
204 HB3 LEU 32 2HB LEU 32 1.122 8.175 1.407
205 HG LEU 32 HG LEU 32 3.165 7.508 2.155
206 HD11 LEU 32 1HD1 LEU 32 1.912 5.482 1.922
207 HD12 LEU 32 2HD1 LEU 32 3.591 5.149 1.498
208 HD13 LEU 32 3HD1 LEU 32 2.380 5.329 0.228
209 HD21 LEU 32 3HD2 LEU 32 5.068 7.580 0.967
210 HD22 LEU 32 1HD2 LEU 32 4.067 8.342 -0.269
211 HD23 LEU 32 2HD2 LEU 32 4.402 6.612 -0.350
212 H ARG 33 H ARG 33 0.801 8.650 -2.502
213 HA ARG 33 HA ARG 33 -1.245 10.402 -1.875
214 HB2 ARG 33 1HB ARG 33 -0.175 9.385 -4.490
215 HB3 ARG 33 2HB ARG 33 -1.536 10.498 -4.453
216 HG2 ARG 33 1HG ARG 33 -0.173 12.125 -3.241
217 HG3 ARG 33 2HG ARG 33 1.191 11.007 -3.282
218 HD2 ARG 33 1HD ARG 33 1.258 11.110 -5.691
219 HD3 ARG 33 2HD ARG 33 -0.200 12.101 -5.723
220 HE ARG 33 HE ARG 33 2.456 13.011 -5.332
221 HH11 ARG 33 1HH1 ARG 33 -0.827 13.575 -4.322
222 HH12 ARG 33 2HH1 ARG 33 -0.565 15.247 -3.954
223 HH21 ARG 33 1HH2 ARG 33 2.814 15.211 -4.851
224 HH22 ARG 33 2HH2 ARG 33 1.507 16.177 -4.256
225 H LEU 34 H LEU 34 -1.416 7.157 -3.200
226 HA LEU 34 HA LEU 34 -4.221 7.287 -3.789
227 HB2 LEU 34 1HB LEU 34 -4.005 4.842 -4.125
228 HB3 LEU 34 2HB LEU 34 -2.865 5.797 -5.070
229 HG LEU 34 HG LEU 34 -1.220 5.269 -3.122
230 HD11 LEU 34 1HD1 LEU 34 -3.520 3.516 -2.556
231 HD12 LEU 34 2HD1 LEU 34 -2.277 4.148 -1.477
232 HD13 LEU 34 3HD1 LEU 34 -1.931 2.752 -2.497
233 HD21 LEU 34 3HD2 LEU 34 -0.381 4.254 -4.921
234 HD22 LEU 34 1HD2 LEU 34 -1.982 3.838 -5.533
235 HD23 LEU 34 2HD2 LEU 34 -1.193 2.797 -4.348
236 H HIS 35 H HIS 35 -2.249 6.284 -1.083
237 HA HIS 35 HA HIS 35 -4.123 4.778 0.343
238 HB2 HIS 35 1HB HIS 35 -1.660 6.295 1.037
239 HB3 HIS 35 2HB HIS 35 -2.730 5.846 2.361
240 HD1 HIS 35 HD1 HIS 35 -3.505 3.074 1.914
241 HD2 HIS 35 HD2 HIS 35 0.269 4.431 0.828
242 HE1 HIS 35 HE1 HIS 35 -2.059 1.020 1.800
243 H SER 36 H SER 36 -3.581 8.260 0.205
244 HA SER 36 HA SER 36 -5.901 8.663 1.967
245 HB2 SER 36 1HB SER 36 -3.523 9.754 2.335
246 HB3 SER 36 2HB SER 36 -4.110 10.913 1.142
247 HG SER 36 HG SER 36 -5.266 11.775 2.655
248 H ARG 37 H ARG 37 -7.165 8.008 -0.004
249 HA ARG 37 HA ARG 37 -7.625 10.355 -1.727
250 HB2 ARG 37 1HB ARG 37 -8.392 8.784 -3.474
251 HB3 ARG 37 2HB ARG 37 -6.704 8.541 -3.045
252 HG2 ARG 37 1HG ARG 37 -7.446 6.672 -1.553
253 HG3 ARG 37 2HG ARG 37 -9.059 6.853 -2.244
254 HD2 ARG 37 1HD ARG 37 -6.573 6.344 -3.870
255 HD3 ARG 37 2HD ARG 37 -7.657 5.073 -3.305
256 HE ARG 37 HE ARG 37 -8.913 7.183 -4.836
257 HH11 ARG 37 1HH1 ARG 37 -7.413 4.042 -4.882
258 HH12 ARG 37 2HH1 ARG 37 -8.149 3.568 -6.377
259 HH21 ARG 37 1HH2 ARG 37 -9.888 6.571 -6.805
260 HH22 ARG 37 2HH2 ARG 37 -9.556 5.008 -7.471
261 H GLU 38 H GLU 38 -9.166 7.487 -0.294
262 HA GLU 38 HA GLU 38 -11.689 9.008 -0.202
263 HB2 GLU 38 1HB GLU 38 -11.285 6.029 -0.512
264 HB3 GLU 38 2HB GLU 38 -12.845 6.800 -0.261
265 HG2 GLU 38 1HG GLU 38 -12.837 7.787 -2.363
266 HG3 GLU 38 2HG GLU 38 -11.096 7.592 -2.554
267 H LYS 39 H LYS 39 -9.789 9.253 1.813
268 HA LYS 39 HA LYS 39 -10.090 7.485 3.968
269 HB2 LYS 39 1HB LYS 39 -9.320 10.394 3.818
270 HB3 LYS 39 2HB LYS 39 -9.374 9.524 5.345
271 HG2 LYS 39 1HG LYS 39 -7.726 8.631 2.995
272 HG3 LYS 39 2HG LYS 39 -7.117 9.686 4.272
273 HD2 LYS 39 1HD LYS 39 -8.357 7.006 4.845
274 HD3 LYS 39 2HD LYS 39 -6.635 7.200 4.511
275 HE2 LYS 39 1HE LYS 39 -8.025 8.804 6.634
276 HE3 LYS 39 2HE LYS 39 -7.389 7.193 6.960
277 HZ1 LYS 39 3HZ LYS 39 -5.851 9.566 6.062
278 HZ2 LYS 39 1HZ LYS 39 -5.204 8.007 6.175
279 HZ3 LYS 39 2HZ LYS 39 -5.753 8.798 7.566
280 H SER 40 H SER 40 -12.106 6.934 4.594
281 HA SER 40 HA SER 40 -14.282 8.762 4.722
282 HB2 SER 40 1HB SER 40 -14.348 6.189 4.476
283 HB3 SER 40 2HB SER 40 -14.177 6.159 6.231
284 HG SER 40 HG SER 40 -16.294 6.296 6.085
285 H SER 41 H SER 41 -12.504 7.063 7.307
286 HA SER 41 HA SER 41 -13.339 9.190 9.161
287 HB2 SER 41 1HB SER 41 -13.897 6.683 9.577
288 HB3 SER 41 2HB SER 41 -12.201 6.552 10.043
289 HG SER 41 HG SER 41 -14.013 7.181 11.653
290 H GLY 42 H GLY 42 -11.840 10.223 10.463
291 HA2 GLY 42 1HA GLY 42 -9.202 10.441 9.382
292 HA3 GLY 42 2HA GLY 42 -9.814 11.268 10.807
293 HA PRO 43 HA PRO 43 -7.002 7.480 11.762
294 HB2 PRO 43 1HB PRO 43 -4.557 8.659 11.827
295 HB3 PRO 43 2HB PRO 43 -5.218 7.898 10.375
296 HG2 PRO 43 1HG PRO 43 -5.142 10.794 11.128
297 HG3 PRO 43 2HG PRO 43 -4.806 10.036 9.560
298 HD2 PRO 43 1HD PRO 43 -7.169 11.234 10.124
299 HD3 PRO 43 2HD PRO 43 -7.042 9.836 9.038
300 H SER 44 H SER 44 -5.193 7.585 13.611
301 HA SER 44 HA SER 44 -6.493 8.916 15.827
302 HB2 SER 44 1HB SER 44 -5.688 6.577 16.024
303 HB3 SER 44 2HB SER 44 -4.033 7.150 15.817
304 HG SER 44 HG SER 44 -4.642 6.878 18.030
305 H SER 45 H SER 45 -6.012 10.930 16.363
306 HA SER 45 HA SER 45 -3.374 12.009 15.683
307 HB2 SER 45 1HB SER 45 -4.395 14.219 16.069
308 HB3 SER 45 2HB SER 45 -5.314 13.285 14.889
309 HG SER 45 HG SER 45 -6.151 12.882 17.458
310 H GLY 46 H GLY 46 -2.460 13.612 17.287
311 HA2 GLY 46 1HA GLY 46 -2.804 12.544 20.022
312 HA3 GLY 46 2HA GLY 46 -1.255 13.055 19.368
Start of MODEL 10
1 H1 GLY 1 H GLY 1 13.138 -13.268 8.121
2 HA2 GLY 1 1HA GLY 1 14.309 -15.534 8.065
3 HA3 GLY 1 2HA GLY 1 15.357 -14.142 7.831
4 H SER 2 H SER 2 16.389 -16.509 8.753
5 HA SER 2 HA SER 2 16.523 -17.170 11.349
6 HB2 SER 2 1HB SER 2 18.942 -17.658 11.041
7 HB3 SER 2 2HB SER 2 17.959 -18.221 9.689
8 HG SER 2 HG SER 2 19.844 -16.180 9.798
9 H SER 3 H SER 3 18.268 -14.412 9.935
10 HA SER 3 HA SER 3 18.409 -13.239 12.631
11 HB2 SER 3 1HB SER 3 20.634 -12.453 12.251
12 HB3 SER 3 2HB SER 3 20.626 -14.162 11.817
13 HG SER 3 HG SER 3 20.298 -12.048 9.954
14 H GLY 4 H GLY 4 17.228 -11.451 12.679
15 HA2 GLY 4 1HA GLY 4 16.748 -9.974 10.199
16 HA3 GLY 4 2HA GLY 4 15.854 -9.794 11.701
17 H SER 5 H SER 5 19.354 -9.683 11.129
18 HA SER 5 HA SER 5 19.950 -7.646 12.856
19 HB2 SER 5 1HB SER 5 21.247 -8.426 10.246
20 HB3 SER 5 2HB SER 5 21.920 -7.175 11.290
21 HG SER 5 HG SER 5 22.855 -9.158 11.792
22 H SER 6 H SER 6 19.550 -7.200 9.337
23 HA SER 6 HA SER 6 19.417 -4.363 9.546
24 HB2 SER 6 1HB SER 6 18.655 -6.212 7.273
25 HB3 SER 6 2HB SER 6 18.763 -4.456 7.147
26 HG SER 6 HG SER 6 20.832 -4.658 6.921
27 H GLY 7 H GLY 7 16.948 -6.806 8.721
28 HA2 GLY 7 1HA GLY 7 14.822 -6.539 10.038
29 HA3 GLY 7 2HA GLY 7 14.901 -4.849 9.563
30 H SER 8 H SER 8 13.040 -4.729 8.393
31 HA SER 8 HA SER 8 12.941 -6.383 5.956
32 HB2 SER 8 1HB SER 8 11.196 -7.025 7.633
33 HB3 SER 8 2HB SER 8 10.537 -5.394 7.507
34 HG SER 8 HG SER 8 10.640 -6.091 5.076
35 H GLY 9 H GLY 9 13.749 -4.924 4.520
36 HA2 GLY 9 1HA GLY 9 12.485 -3.245 3.013
37 HA3 GLY 9 2HA GLY 9 12.545 -2.241 4.454
38 H GLU 10 H GLU 10 14.557 -3.931 2.085
39 HA GLU 10 HA GLU 10 17.002 -2.743 2.888
40 HB2 GLU 10 1HB GLU 10 16.102 -4.113 0.364
41 HB3 GLU 10 2HB GLU 10 17.713 -3.427 0.515
42 HG2 GLU 10 1HG GLU 10 16.592 -5.462 2.421
43 HG3 GLU 10 2HG GLU 10 17.535 -5.876 0.990
44 H ARG 11 H ARG 11 14.626 -1.925 0.391
45 HA ARG 11 HA ARG 11 15.837 0.043 -1.015
46 HB2 ARG 11 1HB ARG 11 13.036 -0.313 -0.060
47 HB3 ARG 11 2HB ARG 11 13.466 1.225 -0.796
48 HG2 ARG 11 1HG ARG 11 12.555 -0.185 -2.486
49 HG3 ARG 11 2HG ARG 11 14.287 -0.027 -2.782
50 HD2 ARG 11 1HD ARG 11 13.205 -2.318 -1.185
51 HD3 ARG 11 2HD ARG 11 13.190 -2.363 -2.947
52 HE ARG 11 HE ARG 11 15.419 -2.819 -1.282
53 HH11 ARG 11 1HH1 ARG 11 14.528 -1.242 -4.255
54 HH12 ARG 11 2HH1 ARG 11 16.101 -1.401 -4.964
55 HH21 ARG 11 1HH2 ARG 11 17.494 -3.035 -2.204
56 HH22 ARG 11 2HH2 ARG 11 17.788 -2.422 -3.796
57 HA PRO 12 HA PRO 12 16.878 3.445 1.551
58 HB2 PRO 12 1HB PRO 12 16.239 5.575 -0.006
59 HB3 PRO 12 2HB PRO 12 17.620 4.523 -0.338
60 HG2 PRO 12 1HG PRO 12 14.893 4.514 -1.572
61 HG3 PRO 12 2HG PRO 12 16.475 4.336 -2.353
62 HD2 PRO 12 1HD PRO 12 14.873 2.222 -1.808
63 HD3 PRO 12 2HD PRO 12 16.645 2.109 -1.786
64 H PHE 13 H PHE 13 13.626 3.309 0.279
65 HA PHE 13 HA PHE 13 12.693 4.788 2.643
66 HB2 PHE 13 1HB PHE 13 11.742 5.089 -0.208
67 HB3 PHE 13 2HB PHE 13 10.827 5.675 1.177
68 HD1 PHE 13 HD1 PHE 13 13.928 6.081 -0.759
69 HD2 PHE 13 HD2 PHE 13 11.450 7.663 2.318
70 HE1 PHE 13 HE1 PHE 13 15.219 8.175 -0.801
71 HE2 PHE 13 HE2 PHE 13 12.736 9.760 2.281
72 HZ PHE 13 HZ PHE 13 14.623 10.019 0.719
73 H LYS 14 H LYS 14 10.314 4.389 3.050
74 HA LYS 14 HA LYS 14 9.233 1.911 2.039
75 HB2 LYS 14 1HB LYS 14 10.855 1.262 3.873
76 HB3 LYS 14 2HB LYS 14 9.800 2.108 4.997
77 HG2 LYS 14 1HG LYS 14 7.955 0.566 3.999
78 HG3 LYS 14 2HG LYS 14 9.327 -0.425 3.496
79 HD2 LYS 14 1HD LYS 14 10.107 -0.512 5.818
80 HD3 LYS 14 2HD LYS 14 8.728 0.471 6.316
81 HE2 LYS 14 1HE LYS 14 8.198 -1.805 6.786
82 HE3 LYS 14 2HE LYS 14 7.234 -1.311 5.396
83 HZ1 LYS 14 3HZ LYS 14 8.925 -3.487 5.566
84 HZ2 LYS 14 1HZ LYS 14 9.711 -2.388 4.548
85 HZ3 LYS 14 2HZ LYS 14 8.143 -2.907 4.183
86 H CYS 15 H CYS 15 7.036 1.584 2.615
87 HA CYS 15 HA CYS 15 5.689 4.064 3.355
88 HB2 CYS 15 1HB CYS 15 4.862 3.043 1.350
89 HB3 CYS 15 2HB CYS 15 4.698 1.480 2.144
90 H ASN 16 H ASN 16 4.963 4.402 5.341
91 HA ASN 16 HA ASN 16 4.932 2.246 7.269
92 HB2 ASN 16 1HB ASN 16 4.768 5.214 7.371
93 HB3 ASN 16 2HB ASN 16 4.026 4.323 8.696
94 HD21 ASN 16 1HD2 ASN 16 6.910 5.469 7.340
95 HD22 ASN 16 2HD2 ASN 16 8.007 4.753 8.467
96 H GLU 17 H GLU 17 2.966 2.256 5.076
97 HA GLU 17 HA GLU 17 0.497 2.388 6.680
98 HB2 GLU 17 1HB GLU 17 0.531 2.486 3.677
99 HB3 GLU 17 2HB GLU 17 -0.735 3.005 4.781
100 HG2 GLU 17 1HG GLU 17 1.927 4.370 4.726
101 HG3 GLU 17 2HG GLU 17 0.653 4.792 3.583
102 H CYS 18 H CYS 18 1.796 0.748 3.788
103 HA CYS 18 HA CYS 18 0.409 -1.697 4.667
104 HB2 CYS 18 1HB CYS 18 0.489 -2.407 2.308
105 HB3 CYS 18 2HB CYS 18 -0.368 -0.881 2.501
106 H GLY 19 H GLY 19 3.407 -0.511 3.171
107 HA2 GLY 19 1HA GLY 19 5.444 -1.438 4.349
108 HA3 GLY 19 2HA GLY 19 4.718 -3.009 4.042
109 H LYS 20 H LYS 20 4.603 -0.365 1.751
110 HA LYS 20 HA LYS 20 6.123 -2.003 -0.135
111 HB2 LYS 20 1HB LYS 20 3.802 -0.782 -0.538
112 HB3 LYS 20 2HB LYS 20 4.850 0.576 -0.926
113 HG2 LYS 20 1HG LYS 20 4.711 -2.100 -2.281
114 HG3 LYS 20 2HG LYS 20 4.366 -0.509 -2.963
115 HD2 LYS 20 1HD LYS 20 6.826 0.021 -2.399
116 HD3 LYS 20 2HD LYS 20 7.015 -1.728 -2.260
117 HE2 LYS 20 1HE LYS 20 6.671 -2.079 -4.499
118 HE3 LYS 20 2HE LYS 20 5.677 -0.635 -4.683
119 HZ1 LYS 20 3HZ LYS 20 7.663 0.720 -4.505
120 HZ2 LYS 20 1HZ LYS 20 7.824 -0.392 -5.770
121 HZ3 LYS 20 2HZ LYS 20 8.622 -0.659 -4.303
122 H GLY 21 H GLY 21 8.137 -1.522 -0.749
123 HA2 GLY 21 1HA GLY 21 9.220 1.101 0.073
124 HA3 GLY 21 2HA GLY 21 10.163 -0.381 0.030
125 H PHE 22 H PHE 22 10.312 2.341 -1.360
126 HA PHE 22 HA PHE 22 10.593 1.280 -4.095
127 HB2 PHE 22 1HB PHE 22 9.957 4.129 -3.298
128 HB3 PHE 22 2HB PHE 22 10.123 3.526 -4.944
129 HD1 PHE 22 HD2 PHE 22 8.197 2.730 -1.847
130 HD2 PHE 22 HD1 PHE 22 8.193 3.079 -6.089
131 HE1 PHE 22 HE2 PHE 22 5.798 2.189 -1.885
132 HE2 PHE 22 HE1 PHE 22 5.793 2.540 -6.134
133 HZ PHE 22 HZ PHE 22 4.592 2.092 -4.031
134 H GLY 23 H GLY 23 12.159 2.767 -5.401
135 HA2 GLY 23 1HA GLY 23 14.649 2.806 -3.884
136 HA3 GLY 23 2HA GLY 23 14.491 2.926 -5.630
137 H ARG 24 H ARG 24 12.688 5.037 -5.824
138 HA ARG 24 HA ARG 24 14.416 7.250 -4.993
139 HB2 ARG 24 1HB ARG 24 12.186 7.131 -7.031
140 HB3 ARG 24 2HB ARG 24 13.128 8.569 -6.662
141 HG2 ARG 24 1HG ARG 24 15.174 7.227 -7.314
142 HG3 ARG 24 2HG ARG 24 14.054 6.026 -7.958
143 HD2 ARG 24 1HD ARG 24 14.417 7.281 -9.835
144 HD3 ARG 24 2HD ARG 24 13.023 8.126 -9.164
145 HE ARG 24 HE ARG 24 15.318 9.316 -8.125
146 HH11 ARG 24 1HH1 ARG 24 13.743 8.901 -11.201
147 HH12 ARG 24 2HH1 ARG 24 14.359 10.378 -11.864
148 HH21 ARG 24 1HH2 ARG 24 16.136 11.264 -8.985
149 HH22 ARG 24 2HH2 ARG 24 15.721 11.721 -10.603
150 H ARG 25 H ARG 25 13.570 9.130 -4.013
151 HA ARG 25 HA ARG 25 11.682 8.676 -1.986
152 HB2 ARG 25 1HB ARG 25 13.565 10.487 -2.233
153 HB3 ARG 25 2HB ARG 25 12.280 11.443 -2.959
154 HG2 ARG 25 1HG ARG 25 12.263 10.250 -0.194
155 HG3 ARG 25 2HG ARG 25 12.505 11.950 -0.602
156 HD2 ARG 25 1HD ARG 25 10.189 11.572 -1.851
157 HD3 ARG 25 2HD ARG 25 10.027 10.317 -0.623
158 HE ARG 25 HE ARG 25 10.763 12.966 0.318
159 HH11 ARG 25 1HH1 ARG 25 8.253 10.611 -0.201
160 HH12 ARG 25 2HH1 ARG 25 7.156 11.340 0.925
161 HH21 ARG 25 1HH2 ARG 25 9.328 13.936 1.803
162 HH22 ARG 25 2HH2 ARG 25 7.768 13.231 2.064
163 H SER 26 H SER 26 11.397 10.819 -4.828
164 HA SER 26 HA SER 26 8.699 11.434 -4.514
165 HB2 SER 26 1HB SER 26 8.740 12.149 -6.839
166 HB3 SER 26 2HB SER 26 10.253 12.612 -6.058
167 HG SER 26 HG SER 26 10.823 11.687 -7.967
168 H HIS 27 H HIS 27 10.231 8.597 -5.801
169 HA HIS 27 HA HIS 27 8.088 7.550 -7.292
170 HB2 HIS 27 1HB HIS 27 10.566 6.448 -6.069
171 HB3 HIS 27 2HB HIS 27 9.313 5.300 -6.527
172 HD1 HIS 27 HD1 HIS 27 10.703 4.314 -8.445
173 HD2 HIS 27 HD2 HIS 27 10.011 8.394 -8.806
174 HE1 HIS 27 HE1 HIS 27 11.390 4.907 -10.790
175 H LEU 28 H LEU 28 8.984 7.182 -3.887
176 HA LEU 28 HA LEU 28 6.788 5.416 -3.321
177 HB2 LEU 28 1HB LEU 28 8.589 5.035 -1.928
178 HB3 LEU 28 2HB LEU 28 8.919 6.754 -1.718
179 HG LEU 28 HG LEU 28 6.759 6.827 -0.357
180 HD11 LEU 28 1HD1 LEU 28 6.999 4.085 0.481
181 HD12 LEU 28 2HD1 LEU 28 6.585 4.183 -1.230
182 HD13 LEU 28 3HD1 LEU 28 5.570 4.983 -0.031
183 HD21 LEU 28 3HD2 LEU 28 9.272 6.665 0.404
184 HD22 LEU 28 1HD2 LEU 28 8.759 5.082 0.989
185 HD23 LEU 28 2HD2 LEU 28 7.956 6.539 1.572
186 H ALA 29 H ALA 29 7.546 8.819 -2.666
187 HA ALA 29 HA ALA 29 5.533 9.651 -1.084
188 HB1 ALA 29 3HB ALA 29 6.594 11.533 -1.626
189 HB2 ALA 29 1HB ALA 29 7.119 10.879 -3.177
190 HB3 ALA 29 2HB ALA 29 5.526 11.620 -3.026
191 H GLY 30 H GLY 30 5.236 8.896 -4.528
192 HA2 GLY 30 1HA GLY 30 2.519 9.721 -4.755
193 HA3 GLY 30 2HA GLY 30 3.392 8.702 -5.891
194 H HIS 31 H HIS 31 4.072 6.681 -3.922
195 HA HIS 31 HA HIS 31 1.865 4.983 -4.215
196 HB2 HIS 31 1HB HIS 31 4.071 4.061 -3.913
197 HB3 HIS 31 2HB HIS 31 4.229 4.829 -2.336
198 HD1 HIS 31 HD1 HIS 31 2.480 1.985 -4.063
199 HD2 HIS 31 HD2 HIS 31 3.091 3.447 -0.222
200 HE1 HIS 31 HE1 HIS 31 1.655 0.181 -2.518
201 H LEU 32 H LEU 32 2.510 7.427 -1.910
202 HA LEU 32 HA LEU 32 0.645 6.343 0.050
203 HB2 LEU 32 1HB LEU 32 2.205 8.923 0.061
204 HB3 LEU 32 2HB LEU 32 1.257 8.283 1.402
205 HG LEU 32 HG LEU 32 3.305 7.614 2.096
206 HD11 LEU 32 1HD1 LEU 32 3.607 5.324 1.747
207 HD12 LEU 32 2HD1 LEU 32 2.989 5.400 0.098
208 HD13 LEU 32 3HD1 LEU 32 1.886 5.585 1.461
209 HD21 LEU 32 3HD2 LEU 32 4.067 8.396 -0.485
210 HD22 LEU 32 1HD2 LEU 32 4.677 6.755 -0.274
211 HD23 LEU 32 2HD2 LEU 32 5.118 8.014 0.880
212 H ARG 33 H ARG 33 0.842 8.827 -2.400
213 HA ARG 33 HA ARG 33 -1.241 10.494 -1.734
214 HB2 ARG 33 1HB ARG 33 -0.342 9.509 -4.441
215 HB3 ARG 33 2HB ARG 33 -1.552 10.769 -4.235
216 HG2 ARG 33 1HG ARG 33 0.061 12.172 -3.095
217 HG3 ARG 33 2HG ARG 33 1.276 10.896 -3.208
218 HD2 ARG 33 1HD ARG 33 0.870 11.024 -5.743
219 HD3 ARG 33 2HD ARG 33 0.088 12.566 -5.398
220 HE ARG 33 HE ARG 33 2.907 11.996 -5.335
221 HH11 ARG 33 1HH1 ARG 33 0.374 14.087 -4.184
222 HH12 ARG 33 2HH1 ARG 33 1.437 15.420 -3.872
223 HH21 ARG 33 1HH2 ARG 33 4.317 13.742 -4.929
224 HH22 ARG 33 2HH2 ARG 33 3.679 15.222 -4.297
225 H LEU 34 H LEU 34 -1.376 7.286 -3.170
226 HA LEU 34 HA LEU 34 -4.170 7.350 -3.737
227 HB2 LEU 34 1HB LEU 34 -3.912 4.889 -3.990
228 HB3 LEU 34 2HB LEU 34 -2.802 5.845 -4.970
229 HG LEU 34 HG LEU 34 -1.172 5.410 -2.942
230 HD11 LEU 34 1HD1 LEU 34 -2.226 4.176 -1.379
231 HD12 LEU 34 2HD1 LEU 34 -1.767 2.837 -2.430
232 HD13 LEU 34 3HD1 LEU 34 -3.392 3.516 -2.527
233 HD21 LEU 34 3HD2 LEU 34 -0.391 3.364 -4.122
234 HD22 LEU 34 1HD2 LEU 34 -0.685 4.736 -5.192
235 HD23 LEU 34 2HD2 LEU 34 -1.857 3.421 -5.102
236 H HIS 35 H HIS 35 -2.217 6.324 -1.005
237 HA HIS 35 HA HIS 35 -4.133 4.883 0.423
238 HB2 HIS 35 1HB HIS 35 -1.642 6.354 1.126
239 HB3 HIS 35 2HB HIS 35 -2.728 5.921 2.444
240 HD1 HIS 35 HD1 HIS 35 -3.455 3.205 2.276
241 HD2 HIS 35 HD2 HIS 35 0.163 4.417 0.634
242 HE1 HIS 35 HE1 HIS 35 -2.067 1.116 2.093
243 H SER 36 H SER 36 -3.706 8.313 0.001
244 HA SER 36 HA SER 36 -5.389 9.103 2.173
245 HB2 SER 36 1HB SER 36 -5.226 11.339 1.243
246 HB3 SER 36 2HB SER 36 -3.638 10.576 1.186
247 HG SER 36 HG SER 36 -5.232 11.444 -0.854
248 H ARG 37 H ARG 37 -5.901 8.136 -1.110
249 HA ARG 37 HA ARG 37 -8.163 9.269 -1.979
250 HB2 ARG 37 1HB ARG 37 -8.612 7.356 -3.222
251 HB3 ARG 37 2HB ARG 37 -6.898 7.186 -2.866
252 HG2 ARG 37 1HG ARG 37 -7.680 5.791 -0.847
253 HG3 ARG 37 2HG ARG 37 -9.219 5.701 -1.705
254 HD2 ARG 37 1HD ARG 37 -7.945 4.856 -3.696
255 HD3 ARG 37 2HD ARG 37 -6.524 4.752 -2.657
256 HE ARG 37 HE ARG 37 -7.461 2.926 -1.582
257 HH11 ARG 37 1HH1 ARG 37 -9.724 4.332 -3.823
258 HH12 ARG 37 2HH1 ARG 37 -10.818 2.990 -3.763
259 HH21 ARG 37 1HH2 ARG 37 -8.894 1.153 -1.494
260 HH22 ARG 37 2HH2 ARG 37 -10.345 1.183 -2.437
261 H GLU 38 H GLU 38 -7.990 6.920 0.652
262 HA GLU 38 HA GLU 38 -10.832 7.444 1.225
263 HB2 GLU 38 1HB GLU 38 -9.866 5.034 0.716
264 HB3 GLU 38 2HB GLU 38 -9.399 5.108 2.409
265 HG2 GLU 38 1HG GLU 38 -12.160 5.239 1.242
266 HG3 GLU 38 2HG GLU 38 -11.490 4.027 2.332
267 H LYS 39 H LYS 39 -10.070 9.413 2.305
268 HA LYS 39 HA LYS 39 -9.583 8.888 5.117
269 HB2 LYS 39 1HB LYS 39 -7.316 9.112 4.245
270 HB3 LYS 39 2HB LYS 39 -7.738 10.638 3.480
271 HG2 LYS 39 1HG LYS 39 -7.682 11.799 5.437
272 HG3 LYS 39 2HG LYS 39 -8.142 10.399 6.410
273 HD2 LYS 39 1HD LYS 39 -5.906 10.755 6.972
274 HD3 LYS 39 2HD LYS 39 -5.834 9.459 5.776
275 HE2 LYS 39 1HE LYS 39 -4.124 11.055 5.261
276 HE3 LYS 39 2HE LYS 39 -5.384 11.180 4.035
277 HZ1 LYS 39 3HZ LYS 39 -4.353 13.240 5.489
278 HZ2 LYS 39 1HZ LYS 39 -5.834 12.936 6.247
279 HZ3 LYS 39 2HZ LYS 39 -5.786 13.280 4.592
280 H SER 40 H SER 40 -10.624 10.305 6.403
281 HA SER 40 HA SER 40 -12.063 11.958 7.018
282 HB2 SER 40 1HB SER 40 -10.371 13.448 5.006
283 HB3 SER 40 2HB SER 40 -11.594 14.234 6.004
284 HG SER 40 HG SER 40 -9.789 14.422 7.186
285 H SER 41 H SER 41 -13.167 10.176 5.264
286 HA SER 41 HA SER 41 -14.917 11.903 3.641
287 HB2 SER 41 1HB SER 41 -13.436 10.609 2.167
288 HB3 SER 41 2HB SER 41 -13.968 9.114 2.936
289 HG SER 41 HG SER 41 -15.101 10.429 0.919
290 H GLY 42 H GLY 42 -14.750 8.565 4.907
291 HA2 GLY 42 1HA GLY 42 -17.373 8.968 6.151
292 HA3 GLY 42 2HA GLY 42 -17.208 7.660 4.989
293 HA PRO 43 HA PRO 43 -14.318 6.459 8.667
294 HB2 PRO 43 1HB PRO 43 -14.361 8.072 10.850
295 HB3 PRO 43 2HB PRO 43 -13.241 8.308 9.503
296 HG2 PRO 43 1HG PRO 43 -15.822 9.708 10.088
297 HG3 PRO 43 2HG PRO 43 -14.280 10.388 9.535
298 HD2 PRO 43 1HD PRO 43 -16.353 9.923 7.856
299 HD3 PRO 43 2HD PRO 43 -14.659 9.790 7.342
300 H SER 44 H SER 44 -14.746 5.387 10.726
301 HA SER 44 HA SER 44 -17.635 5.136 11.214
302 HB2 SER 44 1HB SER 44 -15.349 3.203 11.606
303 HB3 SER 44 2HB SER 44 -16.956 2.921 12.274
304 HG SER 44 HG SER 44 -16.068 2.560 9.751
305 H SER 45 H SER 45 -16.357 7.293 12.391
306 HA SER 45 HA SER 45 -16.432 6.520 15.230
307 HB2 SER 45 1HB SER 45 -14.579 8.581 14.011
308 HB3 SER 45 2HB SER 45 -14.683 8.162 15.721
309 HG SER 45 HG SER 45 -13.381 6.574 15.334
310 H GLY 46 H GLY 46 -17.348 8.021 16.654
311 HA2 GLY 46 1HA GLY 46 -19.514 9.496 15.704
312 HA3 GLY 46 2HA GLY 46 -18.801 9.675 17.300
Start of MODEL 11
1 H1 GLY 1 H GLY 1 0.059 -19.625 9.324
2 HA2 GLY 1 1HA GLY 1 1.028 -18.436 11.040
3 HA3 GLY 1 2HA GLY 1 2.073 -19.819 11.328
4 H SER 2 H SER 2 1.650 -17.465 8.680
5 HA SER 2 HA SER 2 4.321 -16.449 9.061
6 HB2 SER 2 1HB SER 2 3.638 -18.048 6.584
7 HB3 SER 2 2HB SER 2 5.065 -17.026 6.747
8 HG SER 2 HG SER 2 5.985 -18.612 7.749
9 H SER 3 H SER 3 3.897 -14.346 8.964
10 HA SER 3 HA SER 3 2.737 -13.239 6.549
11 HB2 SER 3 1HB SER 3 0.740 -13.602 7.897
12 HB3 SER 3 2HB SER 3 1.480 -12.769 9.264
13 HG SER 3 HG SER 3 1.650 -10.945 7.658
14 H GLY 4 H GLY 4 3.294 -11.086 6.187
15 HA2 GLY 4 1HA GLY 4 4.147 -9.074 7.657
16 HA3 GLY 4 2HA GLY 4 5.523 -10.152 7.837
17 H SER 5 H SER 5 6.947 -8.752 6.805
18 HA SER 5 HA SER 5 6.377 -7.994 4.046
19 HB2 SER 5 1HB SER 5 8.148 -6.451 4.218
20 HB3 SER 5 2HB SER 5 7.404 -6.424 5.817
21 HG SER 5 HG SER 5 9.766 -7.781 5.030
22 H SER 6 H SER 6 7.651 -8.593 2.294
23 HA SER 6 HA SER 6 9.866 -10.411 2.640
24 HB2 SER 6 1HB SER 6 7.850 -11.887 2.808
25 HB3 SER 6 2HB SER 6 7.402 -11.386 1.177
26 HG SER 6 HG SER 6 9.645 -12.148 0.647
27 H GLY 7 H GLY 7 11.262 -9.372 1.357
28 HA2 GLY 7 1HA GLY 7 10.403 -8.828 -1.416
29 HA3 GLY 7 2HA GLY 7 11.355 -7.661 -0.508
30 H SER 8 H SER 8 12.813 -7.879 -2.377
31 HA SER 8 HA SER 8 14.524 -10.268 -2.148
32 HB2 SER 8 1HB SER 8 15.117 -10.016 -4.458
33 HB3 SER 8 2HB SER 8 13.359 -9.911 -4.361
34 HG SER 8 HG SER 8 14.108 -7.473 -4.091
35 H GLY 9 H GLY 9 14.852 -8.175 -0.352
36 HA2 GLY 9 1HA GLY 9 17.384 -7.698 0.028
37 HA3 GLY 9 2HA GLY 9 17.147 -6.645 -1.359
38 H GLU 10 H GLU 10 17.107 -4.606 -0.696
39 HA GLU 10 HA GLU 10 15.165 -3.793 1.290
40 HB2 GLU 10 1HB GLU 10 18.111 -3.705 1.770
41 HB3 GLU 10 2HB GLU 10 17.124 -2.381 2.372
42 HG2 GLU 10 1HG GLU 10 15.756 -3.970 3.627
43 HG3 GLU 10 2HG GLU 10 16.753 -5.295 3.029
44 H ARG 11 H ARG 11 15.032 -1.401 1.460
45 HA ARG 11 HA ARG 11 16.096 -0.017 -0.901
46 HB2 ARG 11 1HB ARG 11 13.246 -0.414 -0.140
47 HB3 ARG 11 2HB ARG 11 13.701 1.156 -0.788
48 HG2 ARG 11 1HG ARG 11 13.081 0.049 -2.693
49 HG3 ARG 11 2HG ARG 11 14.817 -0.267 -2.670
50 HD2 ARG 11 1HD ARG 11 14.398 -2.440 -1.615
51 HD3 ARG 11 2HD ARG 11 12.664 -2.121 -1.658
52 HE ARG 11 HE ARG 11 13.763 -1.902 -4.252
53 HH11 ARG 11 1HH1 ARG 11 12.908 -4.259 -1.837
54 HH12 ARG 11 2HH1 ARG 11 12.619 -5.523 -2.986
55 HH21 ARG 11 1HH2 ARG 11 13.386 -3.558 -5.774
56 HH22 ARG 11 2HH2 ARG 11 12.892 -5.123 -5.225
57 HA PRO 12 HA PRO 12 16.962 3.354 1.768
58 HB2 PRO 12 1HB PRO 12 16.394 5.505 0.213
59 HB3 PRO 12 2HB PRO 12 17.799 4.468 -0.059
60 HG2 PRO 12 1HG PRO 12 15.145 4.461 -1.443
61 HG3 PRO 12 2HG PRO 12 16.769 4.307 -2.137
62 HD2 PRO 12 1HD PRO 12 15.156 2.173 -1.716
63 HD3 PRO 12 2HD PRO 12 16.924 2.071 -1.597
64 H PHE 13 H PHE 13 13.846 3.622 0.091
65 HA PHE 13 HA PHE 13 12.763 4.995 2.462
66 HB2 PHE 13 1HB PHE 13 11.971 5.131 -0.445
67 HB3 PHE 13 2HB PHE 13 10.922 5.714 0.844
68 HD1 PHE 13 HD1 PHE 13 14.427 6.069 -0.375
69 HD2 PHE 13 HD2 PHE 13 11.064 7.923 1.461
70 HE1 PHE 13 HE1 PHE 13 15.608 8.227 -0.398
71 HE2 PHE 13 HE2 PHE 13 12.240 10.084 1.440
72 HZ PHE 13 HZ PHE 13 14.515 10.238 0.509
73 H LYS 14 H LYS 14 10.536 4.486 3.040
74 HA LYS 14 HA LYS 14 9.394 2.031 2.025
75 HB2 LYS 14 1HB LYS 14 11.086 1.291 3.714
76 HB3 LYS 14 2HB LYS 14 10.197 2.194 4.934
77 HG2 LYS 14 1HG LYS 14 8.182 0.761 4.196
78 HG3 LYS 14 2HG LYS 14 9.402 -0.290 3.474
79 HD2 LYS 14 1HD LYS 14 10.497 -0.525 5.641
80 HD3 LYS 14 2HD LYS 14 9.309 0.559 6.370
81 HE2 LYS 14 1HE LYS 14 8.601 -1.629 6.899
82 HE3 LYS 14 2HE LYS 14 7.541 -1.080 5.602
83 HZ1 LYS 14 3HZ LYS 14 8.355 -2.597 4.176
84 HZ2 LYS 14 1HZ LYS 14 8.790 -3.425 5.586
85 HZ3 LYS 14 2HZ LYS 14 9.937 -2.490 4.766
86 H CYS 15 H CYS 15 7.227 1.717 2.656
87 HA CYS 15 HA CYS 15 5.939 4.163 3.601
88 HB2 CYS 15 1HB CYS 15 4.966 3.393 1.593
89 HB3 CYS 15 2HB CYS 15 4.950 1.721 2.143
90 H ASN 16 H ASN 16 4.723 4.298 5.426
91 HA ASN 16 HA ASN 16 4.996 2.103 7.326
92 HB2 ASN 16 1HB ASN 16 3.963 4.918 7.735
93 HB3 ASN 16 2HB ASN 16 4.262 3.737 9.007
94 HD21 ASN 16 1HD2 ASN 16 5.750 5.061 10.027
95 HD22 ASN 16 2HD2 ASN 16 7.330 5.342 9.386
96 H GLU 17 H GLU 17 2.627 3.602 5.328
97 HA GLU 17 HA GLU 17 0.274 3.012 6.708
98 HB2 GLU 17 1HB GLU 17 0.611 2.912 3.709
99 HB3 GLU 17 2HB GLU 17 -0.864 3.249 4.605
100 HG2 GLU 17 1HG GLU 17 1.534 5.016 4.873
101 HG3 GLU 17 2HG GLU 17 0.408 5.202 3.529
102 H CYS 18 H CYS 18 1.881 1.099 4.162
103 HA CYS 18 HA CYS 18 0.540 -1.288 5.252
104 HB2 CYS 18 1HB CYS 18 0.531 -2.223 2.982
105 HB3 CYS 18 2HB CYS 18 -0.360 -0.706 3.048
106 H GLY 19 H GLY 19 3.426 -0.046 3.615
107 HA2 GLY 19 1HA GLY 19 5.532 -0.802 4.784
108 HA3 GLY 19 2HA GLY 19 4.890 -2.424 4.577
109 H LYS 20 H LYS 20 4.395 -0.089 2.073
110 HA LYS 20 HA LYS 20 5.658 -1.703 0.124
111 HB2 LYS 20 1HB LYS 20 3.784 -0.084 -0.295
112 HB3 LYS 20 2HB LYS 20 4.946 1.224 -0.115
113 HG2 LYS 20 1HG LYS 20 4.537 0.728 -2.457
114 HG3 LYS 20 2HG LYS 20 6.210 0.375 -2.019
115 HD2 LYS 20 1HD LYS 20 5.695 -1.993 -1.857
116 HD3 LYS 20 2HD LYS 20 3.995 -1.667 -2.203
117 HE2 LYS 20 1HE LYS 20 5.042 -2.443 -4.214
118 HE3 LYS 20 2HE LYS 20 4.688 -0.726 -4.399
119 HZ1 LYS 20 3HZ LYS 20 6.996 -0.234 -3.869
120 HZ2 LYS 20 1HZ LYS 20 6.894 -1.257 -5.212
121 HZ3 LYS 20 2HZ LYS 20 7.333 -1.883 -3.703
122 H GLY 21 H GLY 21 7.411 -0.928 -1.337
123 HA2 GLY 21 1HA GLY 21 9.375 0.798 -0.004
124 HA3 GLY 21 2HA GLY 21 9.853 -0.839 -0.427
125 H PHE 22 H PHE 22 10.665 1.949 -1.352
126 HA PHE 22 HA PHE 22 10.638 1.294 -4.207
127 HB2 PHE 22 1HB PHE 22 10.041 4.041 -3.087
128 HB3 PHE 22 2HB PHE 22 10.220 3.648 -4.794
129 HD1 PHE 22 HD2 PHE 22 8.137 3.045 -1.801
130 HD2 PHE 22 HD1 PHE 22 8.422 2.798 -6.041
131 HE1 PHE 22 HE2 PHE 22 5.735 2.528 -1.929
132 HE2 PHE 22 HE1 PHE 22 6.020 2.282 -6.176
133 HZ PHE 22 HZ PHE 22 4.673 2.145 -4.118
134 H GLY 23 H GLY 23 12.247 2.722 -5.419
135 HA2 GLY 23 1HA GLY 23 14.753 2.613 -3.960
136 HA3 GLY 23 2HA GLY 23 14.556 2.923 -5.678
137 H ARG 24 H ARG 24 12.923 5.093 -5.741
138 HA ARG 24 HA ARG 24 14.645 7.147 -4.555
139 HB2 ARG 24 1HB ARG 24 12.552 7.496 -6.705
140 HB3 ARG 24 2HB ARG 24 13.798 8.645 -6.236
141 HG2 ARG 24 1HG ARG 24 14.469 5.936 -7.334
142 HG3 ARG 24 2HG ARG 24 14.167 7.328 -8.376
143 HD2 ARG 24 1HD ARG 24 15.922 8.521 -6.912
144 HD3 ARG 24 2HD ARG 24 16.372 6.898 -6.391
145 HE ARG 24 HE ARG 24 17.461 6.651 -8.373
146 HH11 ARG 24 1HH1 ARG 24 14.997 9.078 -8.773
147 HH12 ARG 24 2HH1 ARG 24 15.443 9.448 -10.406
148 HH21 ARG 24 1HH2 ARG 24 18.057 7.129 -10.522
149 HH22 ARG 24 2HH2 ARG 24 17.183 8.338 -11.400
150 H ARG 25 H ARG 25 13.539 9.195 -3.881
151 HA ARG 25 HA ARG 25 11.605 8.616 -1.887
152 HB2 ARG 25 1HB ARG 25 12.893 10.395 -1.238
153 HB3 ARG 25 2HB ARG 25 13.010 11.043 -2.869
154 HG2 ARG 25 1HG ARG 25 11.730 12.480 -1.321
155 HG3 ARG 25 2HG ARG 25 10.799 11.959 -2.727
156 HD2 ARG 25 1HD ARG 25 9.453 10.570 -1.490
157 HD3 ARG 25 2HD ARG 25 10.673 10.326 -0.241
158 HE ARG 25 HE ARG 25 9.596 13.004 -0.398
159 HH11 ARG 25 1HH1 ARG 25 9.342 9.846 1.044
160 HH12 ARG 25 2HH1 ARG 25 8.471 10.407 2.433
161 HH21 ARG 25 1HH2 ARG 25 8.450 13.755 1.426
162 HH22 ARG 25 2HH2 ARG 25 7.964 12.630 2.649
163 H SER 26 H SER 26 11.348 10.902 -4.616
164 HA SER 26 HA SER 26 8.660 11.389 -4.526
165 HB2 SER 26 1HB SER 26 9.848 12.665 -6.087
166 HB3 SER 26 2HB SER 26 10.586 11.246 -6.830
167 HG SER 26 HG SER 26 8.043 12.342 -7.205
168 H HIS 27 H HIS 27 10.281 8.544 -5.755
169 HA HIS 27 HA HIS 27 8.172 7.398 -7.198
170 HB2 HIS 27 1HB HIS 27 10.522 6.200 -5.741
171 HB3 HIS 27 2HB HIS 27 9.366 5.203 -6.618
172 HD1 HIS 27 HD1 HIS 27 12.264 5.219 -7.523
173 HD2 HIS 27 HD2 HIS 27 9.389 7.818 -9.019
174 HE1 HIS 27 HE1 HIS 27 13.122 5.947 -9.772
175 H LEU 28 H LEU 28 8.952 7.318 -3.764
176 HA LEU 28 HA LEU 28 6.806 5.477 -3.164
177 HB2 LEU 28 1HB LEU 28 8.608 5.191 -1.739
178 HB3 LEU 28 2HB LEU 28 8.877 6.925 -1.571
179 HG LEU 28 HG LEU 28 6.742 7.005 -0.225
180 HD11 LEU 28 1HD1 LEU 28 6.910 4.228 0.563
181 HD12 LEU 28 2HD1 LEU 28 6.463 4.401 -1.134
182 HD13 LEU 28 3HD1 LEU 28 5.503 5.193 0.116
183 HD21 LEU 28 3HD2 LEU 28 7.895 6.674 1.722
184 HD22 LEU 28 1HD2 LEU 28 9.237 6.756 0.580
185 HD23 LEU 28 2HD2 LEU 28 8.659 5.190 1.150
186 H ALA 29 H ALA 29 7.516 8.906 -2.561
187 HA ALA 29 HA ALA 29 5.471 9.777 -1.069
188 HB1 ALA 29 3HB ALA 29 6.926 11.424 -1.838
189 HB2 ALA 29 1HB ALA 29 6.669 10.999 -3.530
190 HB3 ALA 29 2HB ALA 29 5.400 11.825 -2.625
191 H GLY 30 H GLY 30 5.210 8.904 -4.493
192 HA2 GLY 30 1HA GLY 30 2.484 9.659 -4.770
193 HA3 GLY 30 2HA GLY 30 3.378 8.601 -5.851
194 H HIS 31 H HIS 31 4.074 6.643 -3.874
195 HA HIS 31 HA HIS 31 1.901 4.914 -4.078
196 HB2 HIS 31 1HB HIS 31 4.097 4.023 -3.703
197 HB3 HIS 31 2HB HIS 31 4.254 4.898 -2.183
198 HD1 HIS 31 HD1 HIS 31 2.470 1.952 -3.706
199 HD2 HIS 31 HD2 HIS 31 3.193 3.627 0.027
200 HE1 HIS 31 HE1 HIS 31 1.682 0.243 -2.038
201 H LEU 32 H LEU 32 2.499 7.449 -1.845
202 HA LEU 32 HA LEU 32 0.601 6.430 0.115
203 HB2 LEU 32 1HB LEU 32 2.181 8.996 0.041
204 HB3 LEU 32 2HB LEU 32 1.162 8.466 1.377
205 HG LEU 32 HG LEU 32 3.166 7.806 2.199
206 HD11 LEU 32 1HD1 LEU 32 1.956 5.759 2.048
207 HD12 LEU 32 2HD1 LEU 32 3.634 5.420 1.627
208 HD13 LEU 32 3HD1 LEU 32 2.415 5.545 0.358
209 HD21 LEU 32 3HD2 LEU 32 5.113 7.750 1.051
210 HD22 LEU 32 1HD2 LEU 32 4.155 8.593 -0.167
211 HD23 LEU 32 2HD2 LEU 32 4.418 6.854 -0.301
212 H ARG 33 H ARG 33 0.761 8.678 -2.518
213 HA ARG 33 HA ARG 33 -1.333 10.402 -1.925
214 HB2 ARG 33 1HB ARG 33 -0.083 9.413 -4.441
215 HB3 ARG 33 2HB ARG 33 -1.617 10.263 -4.568
216 HG2 ARG 33 1HG ARG 33 -0.512 12.097 -3.176
217 HG3 ARG 33 2HG ARG 33 1.008 11.283 -3.548
218 HD2 ARG 33 1HD ARG 33 0.935 12.747 -5.293
219 HD3 ARG 33 2HD ARG 33 0.047 11.404 -6.010
220 HE ARG 33 HE ARG 33 -1.581 13.359 -4.636
221 HH11 ARG 33 1HH1 ARG 33 -0.174 12.347 -7.655
222 HH12 ARG 33 2HH1 ARG 33 -1.313 13.217 -8.628
223 HH21 ARG 33 1HH2 ARG 33 -3.086 14.509 -5.906
224 HH22 ARG 33 2HH2 ARG 33 -2.969 14.448 -7.632
225 H LEU 34 H LEU 34 -1.390 7.104 -3.096
226 HA LEU 34 HA LEU 34 -4.207 7.134 -3.696
227 HB2 LEU 34 1HB LEU 34 -3.928 4.732 -4.071
228 HB3 LEU 34 2HB LEU 34 -2.737 5.687 -4.952
229 HG LEU 34 HG LEU 34 -1.195 5.138 -2.926
230 HD11 LEU 34 1HD1 LEU 34 -3.494 3.294 -2.557
231 HD12 LEU 34 2HD1 LEU 34 -2.452 4.062 -1.359
232 HD13 LEU 34 3HD1 LEU 34 -1.869 2.670 -2.271
233 HD21 LEU 34 3HD2 LEU 34 -1.929 2.976 -4.896
234 HD22 LEU 34 1HD2 LEU 34 -0.383 3.186 -4.073
235 HD23 LEU 34 2HD2 LEU 34 -0.914 4.371 -5.266
236 H HIS 35 H HIS 35 -2.272 6.657 -0.916
237 HA HIS 35 HA HIS 35 -4.088 4.987 0.532
238 HB2 HIS 35 1HB HIS 35 -1.587 6.477 1.145
239 HB3 HIS 35 2HB HIS 35 -2.635 6.068 2.500
240 HD1 HIS 35 HD1 HIS 35 -3.430 3.316 2.226
241 HD2 HIS 35 HD2 HIS 35 0.275 4.564 0.820
242 HE1 HIS 35 HE1 HIS 35 -2.027 1.234 2.089
243 H SER 36 H SER 36 -3.873 8.354 -0.125
244 HA SER 36 HA SER 36 -5.575 9.097 2.116
245 HB2 SER 36 1HB SER 36 -4.124 10.629 -0.025
246 HB3 SER 36 2HB SER 36 -5.394 11.404 0.922
247 HG SER 36 HG SER 36 -4.212 10.876 2.802
248 H ARG 37 H ARG 37 -5.697 9.413 -1.436
249 HA ARG 37 HA ARG 37 -8.122 10.400 -1.928
250 HB2 ARG 37 1HB ARG 37 -8.251 9.100 -3.941
251 HB3 ARG 37 2HB ARG 37 -6.557 9.463 -3.637
252 HG2 ARG 37 1HG ARG 37 -6.080 7.269 -2.994
253 HG3 ARG 37 2HG ARG 37 -7.784 6.876 -2.756
254 HD2 ARG 37 1HD ARG 37 -6.635 7.600 -5.440
255 HD3 ARG 37 2HD ARG 37 -6.687 5.942 -4.841
256 HE ARG 37 HE ARG 37 -9.219 7.337 -4.812
257 HH11 ARG 37 1HH1 ARG 37 -7.059 5.265 -6.590
258 HH12 ARG 37 2HH1 ARG 37 -8.306 4.616 -7.603
259 HH21 ARG 37 1HH2 ARG 37 -10.869 6.491 -6.140
260 HH22 ARG 37 2HH2 ARG 37 -10.473 5.315 -7.347
261 H GLU 38 H GLU 38 -7.519 7.202 -0.607
262 HA GLU 38 HA GLU 38 -10.381 6.989 0.011
263 HB2 GLU 38 1HB GLU 38 -9.481 5.536 -1.990
264 HB3 GLU 38 2HB GLU 38 -8.849 4.520 -0.702
265 HG2 GLU 38 1HG GLU 38 -11.025 3.753 -1.507
266 HG3 GLU 38 2HG GLU 38 -11.068 4.207 0.195
267 H LYS 39 H LYS 39 -10.160 7.439 2.156
268 HA LYS 39 HA LYS 39 -8.344 5.724 3.715
269 HB2 LYS 39 1HB LYS 39 -9.356 8.512 4.113
270 HB3 LYS 39 2HB LYS 39 -8.910 7.553 5.518
271 HG2 LYS 39 1HG LYS 39 -6.721 7.155 4.069
272 HG3 LYS 39 2HG LYS 39 -7.211 8.708 3.386
273 HD2 LYS 39 1HD LYS 39 -5.944 9.457 5.129
274 HD3 LYS 39 2HD LYS 39 -7.499 9.318 5.952
275 HE2 LYS 39 1HE LYS 39 -5.828 8.319 7.342
276 HE3 LYS 39 2HE LYS 39 -6.830 7.030 6.678
277 HZ1 LYS 39 3HZ LYS 39 -4.908 7.150 4.848
278 HZ2 LYS 39 1HZ LYS 39 -4.837 6.138 6.202
279 HZ3 LYS 39 2HZ LYS 39 -4.027 7.623 6.213
280 H SER 40 H SER 40 -9.233 5.508 6.088
281 HA SER 40 HA SER 40 -11.173 3.685 6.250
282 HB2 SER 40 1HB SER 40 -10.874 5.944 8.245
283 HB3 SER 40 2HB SER 40 -11.608 4.372 8.563
284 HG SER 40 HG SER 40 -9.285 4.732 9.142
285 H SER 41 H SER 41 -11.889 7.154 6.689
286 HA SER 41 HA SER 41 -14.646 6.591 5.811
287 HB2 SER 41 1HB SER 41 -14.439 7.339 8.182
288 HB3 SER 41 2HB SER 41 -13.722 8.845 7.609
289 HG SER 41 HG SER 41 -15.640 9.544 7.120
290 H GLY 42 H GLY 42 -12.725 7.003 3.887
291 HA2 GLY 42 1HA GLY 42 -12.302 9.652 3.085
292 HA3 GLY 42 2HA GLY 42 -12.301 8.258 2.015
293 HA PRO 43 HA PRO 43 -15.753 10.841 0.523
294 HB2 PRO 43 1HB PRO 43 -15.514 10.032 -2.057
295 HB3 PRO 43 2HB PRO 43 -14.529 11.324 -1.361
296 HG2 PRO 43 1HG PRO 43 -13.837 8.446 -1.807
297 HG3 PRO 43 2HG PRO 43 -12.853 9.892 -2.102
298 HD2 PRO 43 1HD PRO 43 -12.537 8.337 0.092
299 HD3 PRO 43 2HD PRO 43 -12.255 10.090 0.115
300 H SER 44 H SER 44 -17.563 10.088 -1.109
301 HA SER 44 HA SER 44 -19.154 8.229 0.062
302 HB2 SER 44 1HB SER 44 -20.354 8.033 -2.091
303 HB3 SER 44 2HB SER 44 -19.942 9.707 -1.722
304 HG SER 44 HG SER 44 -17.910 8.836 -3.058
305 H SER 45 H SER 45 -18.991 6.131 0.444
306 HA SER 45 HA SER 45 -17.072 4.537 -1.062
307 HB2 SER 45 1HB SER 45 -18.717 3.794 1.370
308 HB3 SER 45 2HB SER 45 -17.393 2.853 0.683
309 HG SER 45 HG SER 45 -15.961 4.285 1.425
310 H GLY 46 H GLY 46 -17.833 2.134 -1.351
311 HA2 GLY 46 1HA GLY 46 -20.591 1.713 -1.969
312 HA3 GLY 46 2HA GLY 46 -19.647 2.018 -3.419
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -6.332 -18.939 5.555
2 HA2 GLY 1 1HA GLY 1 -8.442 -17.889 4.499
3 HA3 GLY 1 2HA GLY 1 -9.029 -17.926 6.155
4 H SER 2 H SER 2 -6.990 -17.091 7.656
5 HA SER 2 HA SER 2 -6.657 -14.327 6.766
6 HB2 SER 2 1HB SER 2 -7.571 -15.095 9.096
7 HB3 SER 2 2HB SER 2 -5.865 -15.309 9.488
8 HG SER 2 HG SER 2 -5.973 -13.250 9.919
9 H SER 3 H SER 3 -4.794 -13.621 5.979
10 HA SER 3 HA SER 3 -2.317 -15.025 6.732
11 HB2 SER 3 1HB SER 3 -1.485 -14.646 4.425
12 HB3 SER 3 2HB SER 3 -2.906 -15.689 4.462
13 HG SER 3 HG SER 3 -2.996 -14.031 2.841
14 H GLY 4 H GLY 4 -0.448 -13.763 6.899
15 HA2 GLY 4 1HA GLY 4 -0.986 -10.871 7.115
16 HA3 GLY 4 2HA GLY 4 0.213 -11.741 8.060
17 H SER 5 H SER 5 1.656 -10.020 7.327
18 HA SER 5 HA SER 5 2.720 -10.597 4.640
19 HB2 SER 5 1HB SER 5 3.448 -8.200 4.562
20 HB3 SER 5 2HB SER 5 1.697 -8.410 4.570
21 HG SER 5 HG SER 5 1.794 -7.072 6.192
22 H SER 6 H SER 6 4.978 -10.497 4.384
23 HA SER 6 HA SER 6 6.727 -9.912 6.567
24 HB2 SER 6 1HB SER 6 5.669 -12.295 6.966
25 HB3 SER 6 2HB SER 6 6.856 -12.792 5.760
26 HG SER 6 HG SER 6 8.478 -12.197 7.089
27 H GLY 7 H GLY 7 8.300 -8.914 5.501
28 HA2 GLY 7 1HA GLY 7 9.572 -10.302 3.255
29 HA3 GLY 7 2HA GLY 7 8.972 -8.673 2.980
30 H SER 8 H SER 8 10.979 -7.781 2.571
31 HA SER 8 HA SER 8 12.688 -7.481 4.943
32 HB2 SER 8 1HB SER 8 13.523 -9.106 3.036
33 HB3 SER 8 2HB SER 8 13.964 -7.596 2.239
34 HG SER 8 HG SER 8 15.533 -7.329 3.620
35 H GLY 9 H GLY 9 14.416 -5.676 4.389
36 HA2 GLY 9 1HA GLY 9 12.978 -3.465 3.055
37 HA3 GLY 9 2HA GLY 9 13.802 -3.248 4.592
38 H GLU 10 H GLU 10 14.414 -4.293 1.246
39 HA GLU 10 HA GLU 10 17.182 -3.374 1.505
40 HB2 GLU 10 1HB GLU 10 15.858 -4.914 -0.736
41 HB3 GLU 10 2HB GLU 10 17.572 -4.543 -0.613
42 HG2 GLU 10 1HG GLU 10 17.592 -5.843 1.537
43 HG3 GLU 10 2HG GLU 10 15.956 -6.367 1.142
44 H ARG 11 H ARG 11 15.353 -1.326 1.518
45 HA ARG 11 HA ARG 11 16.004 0.014 -1.000
46 HB2 ARG 11 1HB ARG 11 13.276 -0.523 0.057
47 HB3 ARG 11 2HB ARG 11 13.568 1.059 -0.653
48 HG2 ARG 11 1HG ARG 11 12.844 -0.089 -2.484
49 HG3 ARG 11 2HG ARG 11 14.583 -0.362 -2.612
50 HD2 ARG 11 1HD ARG 11 13.805 -2.499 -2.890
51 HD3 ARG 11 2HD ARG 11 14.037 -2.467 -1.142
52 HE ARG 11 HE ARG 11 11.480 -1.698 -1.379
53 HH11 ARG 11 1HH1 ARG 11 13.252 -4.345 -2.783
54 HH12 ARG 11 2HH1 ARG 11 11.874 -5.392 -2.870
55 HH21 ARG 11 1HH2 ARG 11 9.659 -3.066 -1.488
56 HH22 ARG 11 2HH2 ARG 11 9.831 -4.663 -2.134
57 HA PRO 12 HA PRO 12 16.998 3.456 1.532
58 HB2 PRO 12 1HB PRO 12 16.315 5.540 -0.068
59 HB3 PRO 12 2HB PRO 12 17.721 4.513 -0.375
60 HG2 PRO 12 1HG PRO 12 14.999 4.419 -1.616
61 HG3 PRO 12 2HG PRO 12 16.587 4.261 -2.389
62 HD2 PRO 12 1HD PRO 12 15.032 2.122 -1.807
63 HD3 PRO 12 2HD PRO 12 16.806 2.050 -1.778
64 H PHE 13 H PHE 13 13.765 3.400 0.133
65 HA PHE 13 HA PHE 13 12.788 4.859 2.499
66 HB2 PHE 13 1HB PHE 13 11.854 5.042 -0.366
67 HB3 PHE 13 2HB PHE 13 10.903 5.642 0.988
68 HD1 PHE 13 HD1 PHE 13 14.118 6.029 -0.796
69 HD2 PHE 13 HD2 PHE 13 11.351 7.734 1.952
70 HE1 PHE 13 HE1 PHE 13 15.347 8.159 -0.885
71 HE2 PHE 13 HE2 PHE 13 12.575 9.866 1.867
72 HZ PHE 13 HZ PHE 13 14.575 10.081 0.447
73 H LYS 14 H LYS 14 10.506 4.378 3.045
74 HA LYS 14 HA LYS 14 9.389 1.906 2.058
75 HB2 LYS 14 1HB LYS 14 11.152 1.327 3.841
76 HB3 LYS 14 2HB LYS 14 10.028 2.028 4.997
77 HG2 LYS 14 1HG LYS 14 8.320 0.389 3.911
78 HG3 LYS 14 2HG LYS 14 9.771 -0.461 3.376
79 HD2 LYS 14 1HD LYS 14 10.468 -0.178 5.898
80 HD3 LYS 14 2HD LYS 14 8.725 -0.028 6.135
81 HE2 LYS 14 1HE LYS 14 9.049 -2.300 6.386
82 HE3 LYS 14 2HE LYS 14 8.608 -2.180 4.683
83 HZ1 LYS 14 3HZ LYS 14 11.441 -1.959 5.247
84 HZ2 LYS 14 1HZ LYS 14 10.643 -2.815 4.025
85 HZ3 LYS 14 2HZ LYS 14 10.763 -3.473 5.579
86 H CYS 15 H CYS 15 7.232 1.548 2.758
87 HA CYS 15 HA CYS 15 5.931 3.998 3.695
88 HB2 CYS 15 1HB CYS 15 5.010 3.204 1.646
89 HB3 CYS 15 2HB CYS 15 4.904 1.555 2.254
90 H ASN 16 H ASN 16 4.782 4.121 5.550
91 HA ASN 16 HA ASN 16 5.042 1.900 7.411
92 HB2 ASN 16 1HB ASN 16 5.621 4.214 8.113
93 HB3 ASN 16 2HB ASN 16 3.938 4.677 7.881
94 HD21 ASN 16 1HD2 ASN 16 3.382 5.145 9.928
95 HD22 ASN 16 2HD2 ASN 16 3.407 4.011 11.231
96 H GLU 17 H GLU 17 2.667 3.368 5.408
97 HA GLU 17 HA GLU 17 0.322 2.712 6.802
98 HB2 GLU 17 1HB GLU 17 0.624 2.749 3.799
99 HB3 GLU 17 2HB GLU 17 -0.837 3.043 4.731
100 HG2 GLU 17 1HG GLU 17 1.576 4.803 4.975
101 HG3 GLU 17 2HG GLU 17 0.354 5.055 3.730
102 H CYS 18 H CYS 18 1.877 0.961 4.109
103 HA CYS 18 HA CYS 18 0.579 -1.496 5.092
104 HB2 CYS 18 1HB CYS 18 0.576 -2.319 2.798
105 HB3 CYS 18 2HB CYS 18 -0.260 -0.772 2.886
106 H GLY 19 H GLY 19 3.474 -0.196 3.499
107 HA2 GLY 19 1HA GLY 19 5.574 -0.972 4.688
108 HA3 GLY 19 2HA GLY 19 4.944 -2.589 4.412
109 H LYS 20 H LYS 20 4.386 -0.252 1.954
110 HA LYS 20 HA LYS 20 5.741 -1.762 -0.008
111 HB2 LYS 20 1HB LYS 20 3.816 -0.237 -0.446
112 HB3 LYS 20 2HB LYS 20 4.883 1.133 -0.170
113 HG2 LYS 20 1HG LYS 20 4.703 0.846 -2.512
114 HG3 LYS 20 2HG LYS 20 6.310 0.283 -2.046
115 HD2 LYS 20 1HD LYS 20 5.590 -1.388 -3.483
116 HD3 LYS 20 2HD LYS 20 5.177 -2.046 -1.898
117 HE2 LYS 20 1HE LYS 20 2.886 -1.437 -2.160
118 HE3 LYS 20 2HE LYS 20 3.241 -0.499 -3.610
119 HZ1 LYS 20 3HZ LYS 20 3.697 -2.461 -4.820
120 HZ2 LYS 20 1HZ LYS 20 2.244 -2.743 -3.999
121 HZ3 LYS 20 2HZ LYS 20 3.683 -3.424 -3.429
122 H GLY 21 H GLY 21 7.521 -1.011 -1.379
123 HA2 GLY 21 1HA GLY 21 9.395 0.796 -0.004
124 HA3 GLY 21 2HA GLY 21 9.930 -0.810 -0.475
125 H PHE 22 H PHE 22 10.731 1.978 -1.305
126 HA PHE 22 HA PHE 22 10.716 1.434 -4.179
127 HB2 PHE 22 1HB PHE 22 10.046 4.133 -2.988
128 HB3 PHE 22 2HB PHE 22 10.228 3.782 -4.704
129 HD1 PHE 22 HD2 PHE 22 8.189 2.992 -1.714
130 HD2 PHE 22 HD1 PHE 22 8.427 2.988 -5.964
131 HE1 PHE 22 HE2 PHE 22 5.799 2.422 -1.845
132 HE2 PHE 22 HE1 PHE 22 6.038 2.418 -6.101
133 HZ PHE 22 HZ PHE 22 4.721 2.133 -4.040
134 H GLY 23 H GLY 23 12.262 3.047 -5.311
135 HA2 GLY 23 1HA GLY 23 14.754 2.988 -3.783
136 HA3 GLY 23 2HA GLY 23 14.606 3.210 -5.520
137 H ARG 24 H ARG 24 12.853 5.311 -5.691
138 HA ARG 24 HA ARG 24 14.497 7.484 -4.617
139 HB2 ARG 24 1HB ARG 24 12.364 7.606 -6.755
140 HB3 ARG 24 2HB ARG 24 13.501 8.879 -6.331
141 HG2 ARG 24 1HG ARG 24 14.305 6.195 -7.428
142 HG3 ARG 24 2HG ARG 24 14.073 7.645 -8.407
143 HD2 ARG 24 1HD ARG 24 15.823 8.786 -7.165
144 HD3 ARG 24 2HD ARG 24 16.025 7.378 -6.124
145 HE ARG 24 HE ARG 24 16.400 6.513 -8.730
146 HH11 ARG 24 1HH1 ARG 24 17.898 8.732 -6.505
147 HH12 ARG 24 2HH1 ARG 24 19.482 8.545 -7.182
148 HH21 ARG 24 1HH2 ARG 24 18.480 6.259 -9.631
149 HH22 ARG 24 2HH2 ARG 24 19.812 7.139 -8.961
150 H ARG 25 H ARG 25 13.434 9.433 -3.827
151 HA ARG 25 HA ARG 25 11.497 8.857 -1.857
152 HB2 ARG 25 1HB ARG 25 13.268 10.748 -1.944
153 HB3 ARG 25 2HB ARG 25 12.054 11.635 -2.857
154 HG2 ARG 25 1HG ARG 25 11.800 10.584 -0.049
155 HG3 ARG 25 2HG ARG 25 11.920 12.271 -0.553
156 HD2 ARG 25 1HD ARG 25 9.790 11.585 -1.987
157 HD3 ARG 25 2HD ARG 25 9.624 10.395 -0.696
158 HE ARG 25 HE ARG 25 10.022 13.128 0.172
159 HH11 ARG 25 1HH1 ARG 25 7.745 10.608 -0.595
160 HH12 ARG 25 2HH1 ARG 25 6.458 11.312 0.327
161 HH21 ARG 25 1HH2 ARG 25 8.335 14.064 1.388
162 HH22 ARG 25 2HH2 ARG 25 6.794 13.278 1.453
163 H SER 26 H SER 26 11.264 10.787 -4.845
164 HA SER 26 HA SER 26 8.540 11.372 -4.669
165 HB2 SER 26 1HB SER 26 8.656 11.972 -6.994
166 HB3 SER 26 2HB SER 26 10.194 12.419 -6.254
167 HG SER 26 HG SER 26 9.610 10.326 -8.033
168 H HIS 27 H HIS 27 10.201 8.511 -5.781
169 HA HIS 27 HA HIS 27 8.106 7.297 -7.203
170 HB2 HIS 27 1HB HIS 27 10.474 6.163 -5.721
171 HB3 HIS 27 2HB HIS 27 9.339 5.142 -6.597
172 HD1 HIS 27 HD1 HIS 27 12.255 5.207 -7.469
173 HD2 HIS 27 HD2 HIS 27 9.335 7.715 -9.034
174 HE1 HIS 27 HE1 HIS 27 13.117 5.920 -9.721
175 H LEU 28 H LEU 28 8.947 7.249 -3.774
176 HA LEU 28 HA LEU 28 6.810 5.420 -3.122
177 HB2 LEU 28 1HB LEU 28 8.621 5.151 -1.713
178 HB3 LEU 28 2HB LEU 28 8.907 6.885 -1.584
179 HG LEU 28 HG LEU 28 6.738 6.965 -0.234
180 HD11 LEU 28 1HD1 LEU 28 7.046 4.281 0.746
181 HD12 LEU 28 2HD1 LEU 28 6.655 4.270 -0.973
182 HD13 LEU 28 3HD1 LEU 28 5.598 5.105 0.166
183 HD21 LEU 28 3HD2 LEU 28 9.324 6.769 0.500
184 HD22 LEU 28 1HD2 LEU 28 8.659 5.349 1.308
185 HD23 LEU 28 2HD2 LEU 28 7.989 6.946 1.641
186 H ALA 29 H ALA 29 7.510 8.862 -2.594
187 HA ALA 29 HA ALA 29 5.461 9.721 -1.077
188 HB1 ALA 29 3HB ALA 29 6.012 11.222 -3.603
189 HB2 ALA 29 1HB ALA 29 5.736 11.835 -1.973
190 HB3 ALA 29 2HB ALA 29 7.267 11.055 -2.375
191 H GLY 30 H GLY 30 5.227 8.827 -4.492
192 HA2 GLY 30 1HA GLY 30 2.510 9.612 -4.805
193 HA3 GLY 30 2HA GLY 30 3.407 8.541 -5.870
194 H HIS 31 H HIS 31 4.064 6.620 -3.807
195 HA HIS 31 HA HIS 31 1.866 4.903 -4.042
196 HB2 HIS 31 1HB HIS 31 4.048 3.978 -3.674
197 HB3 HIS 31 2HB HIS 31 4.228 4.857 -2.159
198 HD1 HIS 31 HD1 HIS 31 2.273 1.990 -3.656
199 HD2 HIS 31 HD2 HIS 31 3.277 3.555 0.060
200 HE1 HIS 31 HE1 HIS 31 1.498 0.286 -1.977
201 H LEU 32 H LEU 32 2.549 7.404 -1.776
202 HA LEU 32 HA LEU 32 0.624 6.424 0.173
203 HB2 LEU 32 1HB LEU 32 2.240 8.969 0.115
204 HB3 LEU 32 2HB LEU 32 1.239 8.419 1.458
205 HG LEU 32 HG LEU 32 3.266 7.746 2.225
206 HD11 LEU 32 1HD1 LEU 32 2.458 5.496 0.393
207 HD12 LEU 32 2HD1 LEU 32 2.003 5.719 2.082
208 HD13 LEU 32 3HD1 LEU 32 3.677 5.359 1.661
209 HD21 LEU 32 3HD2 LEU 32 5.160 7.786 1.029
210 HD22 LEU 32 1HD2 LEU 32 4.154 8.458 -0.254
211 HD23 LEU 32 2HD2 LEU 32 4.506 6.730 -0.224
212 H ARG 33 H ARG 33 0.790 8.610 -2.490
213 HA ARG 33 HA ARG 33 -1.265 10.394 -1.862
214 HB2 ARG 33 1HB ARG 33 -0.131 9.370 -4.443
215 HB3 ARG 33 2HB ARG 33 -1.540 10.422 -4.456
216 HG2 ARG 33 1HG ARG 33 -0.030 11.922 -2.916
217 HG3 ARG 33 2HG ARG 33 1.270 11.020 -3.697
218 HD2 ARG 33 1HD ARG 33 0.927 12.975 -4.992
219 HD3 ARG 33 2HD ARG 33 0.225 11.637 -5.901
220 HE ARG 33 HE ARG 33 -1.696 12.951 -4.245
221 HH11 ARG 33 1HH1 ARG 33 -0.007 13.131 -7.284
222 HH12 ARG 33 2HH1 ARG 33 -1.238 14.070 -8.061
223 HH21 ARG 33 1HH2 ARG 33 -3.324 14.186 -5.258
224 HH22 ARG 33 2HH2 ARG 33 -3.124 14.670 -6.908
225 H LEU 34 H LEU 34 -1.360 7.104 -3.031
226 HA LEU 34 HA LEU 34 -4.184 7.190 -3.635
227 HB2 LEU 34 1HB LEU 34 -3.956 4.858 -4.186
228 HB3 LEU 34 2HB LEU 34 -2.637 5.773 -4.915
229 HG LEU 34 HG LEU 34 -1.295 4.998 -2.827
230 HD11 LEU 34 1HD1 LEU 34 -2.622 3.882 -1.391
231 HD12 LEU 34 2HD1 LEU 34 -2.275 2.519 -2.455
232 HD13 LEU 34 3HD1 LEU 34 -3.777 3.423 -2.644
233 HD21 LEU 34 3HD2 LEU 34 -0.443 3.187 -4.055
234 HD22 LEU 34 1HD2 LEU 34 -1.054 4.313 -5.267
235 HD23 LEU 34 2HD2 LEU 34 -1.993 2.882 -4.842
236 H HIS 35 H HIS 35 -2.249 6.679 -0.883
237 HA HIS 35 HA HIS 35 -4.040 4.947 0.533
238 HB2 HIS 35 1HB HIS 35 -1.541 6.431 1.164
239 HB3 HIS 35 2HB HIS 35 -2.578 5.987 2.517
240 HD1 HIS 35 HD1 HIS 35 -3.343 3.250 2.252
241 HD2 HIS 35 HD2 HIS 35 0.301 4.523 0.715
242 HE1 HIS 35 HE1 HIS 35 -1.940 1.173 2.040
243 H SER 36 H SER 36 -3.996 8.266 -0.176
244 HA SER 36 HA SER 36 -6.137 8.722 1.784
245 HB2 SER 36 1HB SER 36 -3.760 10.497 1.231
246 HB3 SER 36 2HB SER 36 -5.234 11.103 1.985
247 HG SER 36 HG SER 36 -3.211 9.716 3.090
248 H ARG 37 H ARG 37 -6.590 7.995 -0.832
249 HA ARG 37 HA ARG 37 -7.543 10.513 -2.031
250 HB2 ARG 37 1HB ARG 37 -7.216 9.612 -4.214
251 HB3 ARG 37 2HB ARG 37 -5.728 9.338 -3.318
252 HG2 ARG 37 1HG ARG 37 -6.118 7.050 -3.129
253 HG3 ARG 37 2HG ARG 37 -7.835 7.220 -3.500
254 HD2 ARG 37 1HD ARG 37 -6.247 6.290 -5.315
255 HD3 ARG 37 2HD ARG 37 -7.450 7.497 -5.768
256 HE ARG 37 HE ARG 37 -4.858 8.559 -5.056
257 HH11 ARG 37 1HH1 ARG 37 -6.927 7.402 -7.606
258 HH12 ARG 37 2HH1 ARG 37 -6.066 8.232 -8.859
259 HH21 ARG 37 1HH2 ARG 37 -3.716 9.657 -6.698
260 HH22 ARG 37 2HH2 ARG 37 -4.239 9.514 -8.342
261 H GLU 38 H GLU 38 -8.225 7.144 -1.319
262 HA GLU 38 HA GLU 38 -11.082 7.710 -1.703
263 HB2 GLU 38 1HB GLU 38 -9.905 6.302 -3.570
264 HB3 GLU 38 2HB GLU 38 -9.986 5.006 -2.385
265 HG2 GLU 38 1HG GLU 38 -12.454 5.441 -2.231
266 HG3 GLU 38 2HG GLU 38 -12.273 6.518 -3.614
267 H LYS 39 H LYS 39 -10.107 7.975 0.732
268 HA LYS 39 HA LYS 39 -10.930 5.507 2.111
269 HB2 LYS 39 1HB LYS 39 -9.325 6.227 3.951
270 HB3 LYS 39 2HB LYS 39 -8.599 5.592 2.481
271 HG2 LYS 39 1HG LYS 39 -7.278 7.407 2.767
272 HG3 LYS 39 2HG LYS 39 -8.572 8.165 1.836
273 HD2 LYS 39 1HD LYS 39 -8.401 9.648 3.572
274 HD3 LYS 39 2HD LYS 39 -9.611 8.544 4.228
275 HE2 LYS 39 1HE LYS 39 -8.046 8.886 5.959
276 HE3 LYS 39 2HE LYS 39 -7.691 7.291 5.299
277 HZ1 LYS 39 3HZ LYS 39 -6.233 9.795 4.646
278 HZ2 LYS 39 1HZ LYS 39 -5.891 8.263 4.014
279 HZ3 LYS 39 2HZ LYS 39 -5.674 8.565 5.664
280 H SER 40 H SER 40 -12.144 5.757 3.987
281 HA SER 40 HA SER 40 -12.742 8.388 5.012
282 HB2 SER 40 1HB SER 40 -15.192 8.185 4.612
283 HB3 SER 40 2HB SER 40 -14.266 8.349 3.121
284 HG SER 40 HG SER 40 -14.678 5.756 3.976
285 H SER 41 H SER 41 -13.706 8.347 7.042
286 HA SER 41 HA SER 41 -13.258 6.010 8.576
287 HB2 SER 41 1HB SER 41 -14.580 8.653 9.165
288 HB3 SER 41 2HB SER 41 -14.527 7.363 10.366
289 HG SER 41 HG SER 41 -12.425 8.861 9.262
290 H GLY 42 H GLY 42 -14.465 4.237 8.403
291 HA2 GLY 42 1HA GLY 42 -17.162 4.253 7.484
292 HA3 GLY 42 2HA GLY 42 -16.297 2.870 8.139
293 HA PRO 43 HA PRO 43 -19.584 3.692 11.190
294 HB2 PRO 43 1HB PRO 43 -19.784 1.102 11.977
295 HB3 PRO 43 2HB PRO 43 -20.610 1.738 10.550
296 HG2 PRO 43 1HG PRO 43 -18.056 0.186 10.727
297 HG3 PRO 43 2HG PRO 43 -19.395 0.008 9.579
298 HD2 PRO 43 1HD PRO 43 -17.106 1.313 8.955
299 HD3 PRO 43 2HD PRO 43 -18.682 1.773 8.279
300 H SER 44 H SER 44 -16.433 2.281 11.393
301 HA SER 44 HA SER 44 -16.139 1.609 14.030
302 HB2 SER 44 1HB SER 44 -14.235 2.942 12.113
303 HB3 SER 44 2HB SER 44 -13.744 2.523 13.754
304 HG SER 44 HG SER 44 -13.249 0.839 12.323
305 H SER 45 H SER 45 -16.615 2.654 15.833
306 HA SER 45 HA SER 45 -16.020 5.523 16.015
307 HB2 SER 45 1HB SER 45 -18.477 5.125 15.577
308 HB3 SER 45 2HB SER 45 -18.548 4.298 17.133
309 HG SER 45 HG SER 45 -18.069 6.189 18.160
310 H GLY 46 H GLY 46 -14.739 5.924 17.687
311 HA2 GLY 46 1HA GLY 46 -14.020 5.892 19.904
312 HA3 GLY 46 2HA GLY 46 -15.157 4.592 20.228
Start of MODEL 13
1 H1 GLY 1 H GLY 1 2.675 -13.672 22.844
2 HA2 GLY 1 1HA GLY 1 3.464 -15.547 21.511
3 HA3 GLY 1 2HA GLY 1 2.215 -15.161 20.337
4 H SER 2 H SER 2 4.500 -15.454 19.185
5 HA SER 2 HA SER 2 5.460 -12.720 18.687
6 HB2 SER 2 1HB SER 2 7.034 -14.332 20.045
7 HB3 SER 2 2HB SER 2 7.357 -15.028 18.458
8 HG SER 2 HG SER 2 7.603 -12.269 19.072
9 H SER 3 H SER 3 4.797 -12.232 16.704
10 HA SER 3 HA SER 3 5.620 -13.820 14.462
11 HB2 SER 3 1HB SER 3 2.706 -13.675 15.226
12 HB3 SER 3 2HB SER 3 3.218 -13.966 13.564
13 HG SER 3 HG SER 3 4.513 -15.737 14.529
14 H GLY 4 H GLY 4 4.777 -12.808 12.365
15 HA2 GLY 4 1HA GLY 4 3.714 -10.222 12.273
16 HA3 GLY 4 2HA GLY 4 5.463 -10.072 12.357
17 H SER 5 H SER 5 5.286 -9.063 10.252
18 HA SER 5 HA SER 5 4.934 -11.028 8.084
19 HB2 SER 5 1HB SER 5 3.274 -9.218 7.987
20 HB3 SER 5 2HB SER 5 4.571 -8.023 7.973
21 HG SER 5 HG SER 5 4.742 -8.324 5.910
22 H SER 6 H SER 6 6.332 -10.776 6.219
23 HA SER 6 HA SER 6 8.785 -9.252 6.651
24 HB2 SER 6 1HB SER 6 10.173 -11.252 6.085
25 HB3 SER 6 2HB SER 6 9.329 -11.400 7.626
26 HG SER 6 HG SER 6 8.447 -12.495 5.159
27 H GLY 7 H GLY 7 9.997 -8.868 4.748
28 HA2 GLY 7 1HA GLY 7 8.639 -9.624 2.239
29 HA3 GLY 7 2HA GLY 7 9.110 -7.958 2.541
30 H SER 8 H SER 8 10.154 -8.615 0.358
31 HA SER 8 HA SER 8 12.923 -9.408 0.950
32 HB2 SER 8 1HB SER 8 11.900 -11.322 -0.127
33 HB3 SER 8 2HB SER 8 11.259 -10.303 -1.415
34 HG SER 8 HG SER 8 13.657 -11.475 -1.246
35 H GLY 9 H GLY 9 14.057 -7.594 0.690
36 HA2 GLY 9 1HA GLY 9 14.983 -6.377 -1.394
37 HA3 GLY 9 2HA GLY 9 13.336 -5.775 -1.507
38 H GLU 10 H GLU 10 16.393 -5.178 -0.298
39 HA GLU 10 HA GLU 10 15.522 -3.574 1.961
40 HB2 GLU 10 1HB GLU 10 18.217 -4.229 0.790
41 HB3 GLU 10 2HB GLU 10 18.024 -3.017 2.049
42 HG2 GLU 10 1HG GLU 10 17.307 -4.599 3.620
43 HG3 GLU 10 2HG GLU 10 17.001 -5.815 2.380
44 H ARG 11 H ARG 11 14.189 -2.163 0.592
45 HA ARG 11 HA ARG 11 15.466 -0.414 -1.287
46 HB2 ARG 11 1HB ARG 11 12.724 -0.488 -0.044
47 HB3 ARG 11 2HB ARG 11 13.227 0.821 -1.105
48 HG2 ARG 11 1HG ARG 11 13.308 -2.074 -1.908
49 HG3 ARG 11 2HG ARG 11 11.921 -1.021 -2.194
50 HD2 ARG 11 1HD ARG 11 13.250 0.443 -3.564
51 HD3 ARG 11 2HD ARG 11 14.716 -0.453 -3.168
52 HE ARG 11 HE ARG 11 12.913 -2.238 -4.320
53 HH11 ARG 11 1HH1 ARG 11 14.742 0.587 -5.211
54 HH12 ARG 11 2HH1 ARG 11 14.880 0.132 -6.877
55 HH21 ARG 11 1HH2 ARG 11 13.088 -2.848 -6.511
56 HH22 ARG 11 2HH2 ARG 11 13.938 -1.821 -7.616
57 HA PRO 12 HA PRO 12 16.851 2.813 1.343
58 HB2 PRO 12 1HB PRO 12 16.378 5.004 -0.188
59 HB3 PRO 12 2HB PRO 12 17.666 3.846 -0.541
60 HG2 PRO 12 1HG PRO 12 14.939 4.074 -1.754
61 HG3 PRO 12 2HG PRO 12 16.495 3.774 -2.549
62 HD2 PRO 12 1HD PRO 12 14.729 1.793 -2.012
63 HD3 PRO 12 2HD PRO 12 16.486 1.535 -2.004
64 H PHE 13 H PHE 13 13.590 2.956 0.096
65 HA PHE 13 HA PHE 13 12.814 4.561 2.441
66 HB2 PHE 13 1HB PHE 13 11.825 4.752 -0.401
67 HB3 PHE 13 2HB PHE 13 10.903 5.393 0.956
68 HD1 PHE 13 HD1 PHE 13 14.273 5.571 -0.611
69 HD2 PHE 13 HD2 PHE 13 11.278 7.556 1.671
70 HE1 PHE 13 HE1 PHE 13 15.578 7.655 -0.716
71 HE2 PHE 13 HE2 PHE 13 12.577 9.643 1.568
72 HZ PHE 13 HZ PHE 13 14.730 9.694 0.373
73 H LYS 14 H LYS 14 10.393 4.321 2.891
74 HA LYS 14 HA LYS 14 9.213 1.803 2.118
75 HB2 LYS 14 1HB LYS 14 10.792 1.203 3.965
76 HB3 LYS 14 2HB LYS 14 9.883 2.270 5.028
77 HG2 LYS 14 1HG LYS 14 7.853 0.812 4.292
78 HG3 LYS 14 2HG LYS 14 9.101 -0.359 3.861
79 HD2 LYS 14 1HD LYS 14 9.929 -0.403 6.106
80 HD3 LYS 14 2HD LYS 14 8.892 0.948 6.570
81 HE2 LYS 14 1HE LYS 14 7.615 -1.498 5.459
82 HE3 LYS 14 2HE LYS 14 8.240 -1.558 7.107
83 HZ1 LYS 14 3HZ LYS 14 6.917 0.620 7.383
84 HZ2 LYS 14 1HZ LYS 14 6.082 -0.851 7.403
85 HZ3 LYS 14 2HZ LYS 14 6.074 0.107 6.009
86 H CYS 15 H CYS 15 7.011 1.603 2.763
87 HA CYS 15 HA CYS 15 5.764 4.194 3.275
88 HB2 CYS 15 1HB CYS 15 4.890 3.042 1.362
89 HB3 CYS 15 2HB CYS 15 4.665 1.560 2.285
90 H ASN 16 H ASN 16 4.924 4.720 5.180
91 HA ASN 16 HA ASN 16 4.917 2.778 7.325
92 HB2 ASN 16 1HB ASN 16 4.666 5.735 7.109
93 HB3 ASN 16 2HB ASN 16 3.925 4.965 8.509
94 HD21 ASN 16 1HD2 ASN 16 6.746 6.197 7.206
95 HD22 ASN 16 2HD2 ASN 16 7.863 5.581 8.372
96 H GLU 17 H GLU 17 2.991 2.506 5.109
97 HA GLU 17 HA GLU 17 0.502 2.667 6.680
98 HB2 GLU 17 1HB GLU 17 0.551 2.647 3.675
99 HB3 GLU 17 2HB GLU 17 -0.744 3.155 4.750
100 HG2 GLU 17 1HG GLU 17 1.840 4.639 4.764
101 HG3 GLU 17 2HG GLU 17 0.679 4.916 3.466
102 H CYS 18 H CYS 18 1.870 0.953 3.863
103 HA CYS 18 HA CYS 18 0.561 -1.498 4.839
104 HB2 CYS 18 1HB CYS 18 0.680 -2.304 2.512
105 HB3 CYS 18 2HB CYS 18 -0.229 -0.802 2.637
106 H GLY 19 H GLY 19 3.534 -0.252 3.351
107 HA2 GLY 19 1HA GLY 19 5.584 -1.076 4.574
108 HA3 GLY 19 2HA GLY 19 4.919 -2.680 4.304
109 H LYS 20 H LYS 20 4.548 -0.279 1.843
110 HA LYS 20 HA LYS 20 6.193 -1.865 0.052
111 HB2 LYS 20 1HB LYS 20 3.856 -0.697 -0.396
112 HB3 LYS 20 2HB LYS 20 4.878 0.674 -0.807
113 HG2 LYS 20 1HG LYS 20 4.836 -2.040 -2.097
114 HG3 LYS 20 2HG LYS 20 4.404 -0.488 -2.817
115 HD2 LYS 20 1HD LYS 20 6.846 0.173 -2.260
116 HD3 LYS 20 2HD LYS 20 7.113 -1.567 -2.127
117 HE2 LYS 20 1HE LYS 20 6.787 -1.924 -4.361
118 HE3 LYS 20 2HE LYS 20 5.694 -0.552 -4.533
119 HZ1 LYS 20 3HZ LYS 20 8.516 -0.677 -4.936
120 HZ2 LYS 20 1HZ LYS 20 8.099 0.562 -3.862
121 HZ3 LYS 20 2HZ LYS 20 7.415 0.517 -5.408
122 H GLY 21 H GLY 21 8.200 -1.369 -0.578
123 HA2 GLY 21 1HA GLY 21 9.242 1.292 0.174
124 HA3 GLY 21 2HA GLY 21 10.207 -0.177 0.178
125 H PHE 22 H PHE 22 10.370 2.488 -1.279
126 HA PHE 22 HA PHE 22 10.667 1.357 -3.983
127 HB2 PHE 22 1HB PHE 22 9.969 4.217 -3.283
128 HB3 PHE 22 2HB PHE 22 10.157 3.563 -4.907
129 HD1 PHE 22 HD2 PHE 22 8.220 2.865 -1.794
130 HD2 PHE 22 HD1 PHE 22 8.250 3.008 -6.048
131 HE1 PHE 22 HE2 PHE 22 5.832 2.276 -1.827
132 HE2 PHE 22 HE1 PHE 22 5.861 2.421 -6.088
133 HZ PHE 22 HZ PHE 22 4.649 2.052 -3.976
134 H GLY 23 H GLY 23 12.228 2.784 -5.328
135 HA2 GLY 23 1HA GLY 23 14.711 2.895 -3.827
136 HA3 GLY 23 2HA GLY 23 14.535 3.046 -5.569
137 H ARG 24 H ARG 24 12.747 5.135 -5.764
138 HA ARG 24 HA ARG 24 14.411 7.354 -4.815
139 HB2 ARG 24 1HB ARG 24 12.348 7.192 -7.016
140 HB3 ARG 24 2HB ARG 24 13.152 8.680 -6.535
141 HG2 ARG 24 1HG ARG 24 15.273 7.851 -7.232
142 HG3 ARG 24 2HG ARG 24 14.617 6.232 -7.486
143 HD2 ARG 24 1HD ARG 24 13.149 7.152 -9.254
144 HD3 ARG 24 2HD ARG 24 13.918 8.723 -9.036
145 HE ARG 24 HE ARG 24 15.743 7.961 -10.200
146 HH11 ARG 24 1HH1 ARG 24 13.706 5.271 -9.343
147 HH12 ARG 24 2HH1 ARG 24 14.571 4.135 -10.323
148 HH21 ARG 24 1HH2 ARG 24 16.890 6.474 -11.495
149 HH22 ARG 24 2HH2 ARG 24 16.383 4.820 -11.547
150 H ARG 25 H ARG 25 13.509 9.177 -3.813
151 HA ARG 25 HA ARG 25 11.509 8.686 -1.925
152 HB2 ARG 25 1HB ARG 25 13.338 10.499 -1.944
153 HB3 ARG 25 2HB ARG 25 12.204 11.445 -2.899
154 HG2 ARG 25 1HG ARG 25 11.798 10.413 -0.102
155 HG3 ARG 25 2HG ARG 25 12.020 12.091 -0.602
156 HD2 ARG 25 1HD ARG 25 9.913 11.550 -2.101
157 HD3 ARG 25 2HD ARG 25 9.643 10.321 -0.866
158 HE ARG 25 HE ARG 25 9.367 13.173 -0.571
159 HH11 ARG 25 1HH1 ARG 25 9.848 10.140 1.067
160 HH12 ARG 25 2HH1 ARG 25 9.232 10.711 2.583
161 HH21 ARG 25 1HH2 ARG 25 8.555 13.938 1.418
162 HH22 ARG 25 2HH2 ARG 25 8.496 12.872 2.781
163 H SER 26 H SER 26 11.319 10.890 -4.728
164 HA SER 26 HA SER 26 8.621 11.467 -4.578
165 HB2 SER 26 1HB SER 26 8.764 12.002 -6.996
166 HB3 SER 26 2HB SER 26 10.122 12.660 -6.085
167 HG SER 26 HG SER 26 11.412 11.009 -6.859
168 H HIS 27 H HIS 27 10.214 8.635 -5.871
169 HA HIS 27 HA HIS 27 8.069 7.552 -7.326
170 HB2 HIS 27 1HB HIS 27 10.578 6.483 -6.132
171 HB3 HIS 27 2HB HIS 27 9.340 5.321 -6.599
172 HD1 HIS 27 HD1 HIS 27 11.170 4.531 -8.385
173 HD2 HIS 27 HD2 HIS 27 9.542 8.304 -8.993
174 HE1 HIS 27 HE1 HIS 27 11.725 5.126 -10.764
175 H LEU 28 H LEU 28 8.960 7.304 -3.922
176 HA LEU 28 HA LEU 28 6.827 5.451 -3.333
177 HB2 LEU 28 1HB LEU 28 8.652 5.120 -1.955
178 HB3 LEU 28 2HB LEU 28 8.940 6.847 -1.752
179 HG LEU 28 HG LEU 28 6.838 6.906 -0.348
180 HD11 LEU 28 1HD1 LEU 28 5.599 5.090 -0.036
181 HD12 LEU 28 2HD1 LEU 28 7.009 4.122 0.391
182 HD13 LEU 28 3HD1 LEU 28 6.548 4.309 -1.301
183 HD21 LEU 28 3HD2 LEU 28 8.074 6.605 1.530
184 HD22 LEU 28 1HD2 LEU 28 9.388 6.560 0.354
185 HD23 LEU 28 2HD2 LEU 28 8.723 5.056 0.991
186 H ALA 29 H ALA 29 7.537 8.859 -2.611
187 HA ALA 29 HA ALA 29 5.513 9.656 -1.047
188 HB1 ALA 29 3HB ALA 29 5.542 11.534 -3.182
189 HB2 ALA 29 1HB ALA 29 6.314 11.647 -1.600
190 HB3 ALA 29 2HB ALA 29 7.180 10.921 -2.955
191 H GLY 30 H GLY 30 5.202 8.973 -4.514
192 HA2 GLY 30 1HA GLY 30 2.472 9.720 -4.714
193 HA3 GLY 30 2HA GLY 30 3.352 8.711 -5.852
194 H HIS 31 H HIS 31 4.075 6.669 -3.972
195 HA HIS 31 HA HIS 31 1.904 4.946 -4.223
196 HB2 HIS 31 1HB HIS 31 4.084 4.022 -3.912
197 HB3 HIS 31 2HB HIS 31 4.294 4.865 -2.380
198 HD1 HIS 31 HD1 HIS 31 2.511 1.931 -3.907
199 HD2 HIS 31 HD2 HIS 31 3.224 3.587 -0.164
200 HE1 HIS 31 HE1 HIS 31 1.745 0.202 -2.250
201 H LEU 32 H LEU 32 2.480 7.415 -1.930
202 HA LEU 32 HA LEU 32 0.621 6.302 0.021
203 HB2 LEU 32 1HB LEU 32 2.171 8.887 0.036
204 HB3 LEU 32 2HB LEU 32 1.188 8.275 1.364
205 HG LEU 32 HG LEU 32 3.231 7.626 2.108
206 HD11 LEU 32 1HD1 LEU 32 3.704 5.265 1.443
207 HD12 LEU 32 2HD1 LEU 32 2.447 5.419 0.216
208 HD13 LEU 32 3HD1 LEU 32 2.035 5.573 1.923
209 HD21 LEU 32 3HD2 LEU 32 4.098 8.435 -0.349
210 HD22 LEU 32 1HD2 LEU 32 4.489 6.716 -0.372
211 HD23 LEU 32 2HD2 LEU 32 5.121 7.746 0.912
212 H ARG 33 H ARG 33 0.751 8.663 -2.516
213 HA ARG 33 HA ARG 33 -1.350 10.345 -1.839
214 HB2 ARG 33 1HB ARG 33 -0.198 9.429 -4.448
215 HB3 ARG 33 2HB ARG 33 -1.658 10.410 -4.442
216 HG2 ARG 33 1HG ARG 33 -0.227 11.954 -2.872
217 HG3 ARG 33 2HG ARG 33 1.118 11.133 -3.666
218 HD2 ARG 33 1HD ARG 33 0.565 13.183 -4.842
219 HD3 ARG 33 2HD ARG 33 0.209 11.781 -5.850
220 HE ARG 33 HE ARG 33 -2.164 12.262 -4.696
221 HH11 ARG 33 1HH1 ARG 33 0.104 14.344 -6.320
222 HH12 ARG 33 2HH1 ARG 33 -1.113 15.430 -6.906
223 HH21 ARG 33 1HH2 ARG 33 -3.775 13.684 -5.462
224 HH22 ARG 33 2HH2 ARG 33 -3.319 15.054 -6.417
225 H LEU 34 H LEU 34 -1.396 7.100 -3.154
226 HA LEU 34 HA LEU 34 -4.197 7.121 -3.775
227 HB2 LEU 34 1HB LEU 34 -3.883 4.675 -4.067
228 HB3 LEU 34 2HB LEU 34 -2.789 5.666 -5.030
229 HG LEU 34 HG LEU 34 -1.190 5.223 -2.946
230 HD11 LEU 34 1HD1 LEU 34 -1.530 2.745 -2.383
231 HD12 LEU 34 2HD1 LEU 34 -3.193 2.993 -2.915
232 HD13 LEU 34 3HD1 LEU 34 -2.551 3.928 -1.565
233 HD21 LEU 34 3HD2 LEU 34 -0.234 4.589 -4.893
234 HD22 LEU 34 1HD2 LEU 34 -1.694 3.794 -5.480
235 HD23 LEU 34 2HD2 LEU 34 -0.654 2.977 -4.313
236 H HIS 35 H HIS 35 -2.285 6.506 -0.974
237 HA HIS 35 HA HIS 35 -4.160 4.882 0.428
238 HB2 HIS 35 1HB HIS 35 -1.655 6.339 1.106
239 HB3 HIS 35 2HB HIS 35 -2.732 5.922 2.436
240 HD1 HIS 35 HD1 HIS 35 -3.482 3.213 2.297
241 HD2 HIS 35 HD2 HIS 35 0.126 4.381 0.602
242 HE1 HIS 35 HE1 HIS 35 -2.115 1.111 2.112
243 H SER 36 H SER 36 -3.605 8.338 0.158
244 HA SER 36 HA SER 36 -5.630 8.919 2.169
245 HB2 SER 36 1HB SER 36 -3.371 10.208 1.722
246 HB3 SER 36 2HB SER 36 -4.336 11.046 0.507
247 HG SER 36 HG SER 36 -5.521 10.782 2.990
248 H ARG 37 H ARG 37 -6.604 7.546 -0.065
249 HA ARG 37 HA ARG 37 -7.840 9.459 -1.848
250 HB2 ARG 37 1HB ARG 37 -8.673 7.601 -3.045
251 HB3 ARG 37 2HB ARG 37 -7.066 7.128 -2.509
252 HG2 ARG 37 1HG ARG 37 -8.302 6.061 -0.508
253 HG3 ARG 37 2HG ARG 37 -9.730 6.189 -1.538
254 HD2 ARG 37 1HD ARG 37 -8.611 4.895 -3.271
255 HD3 ARG 37 2HD ARG 37 -7.156 4.803 -2.281
256 HE ARG 37 HE ARG 37 -9.546 3.742 -1.049
257 HH11 ARG 37 1HH1 ARG 37 -6.726 3.075 -2.979
258 HH12 ARG 37 2HH1 ARG 37 -6.715 1.382 -2.612
259 HH21 ARG 37 1HH2 ARG 37 -9.542 1.514 -0.559
260 HH22 ARG 37 2HH2 ARG 37 -8.318 0.495 -1.237
261 H GLU 38 H GLU 38 -10.220 9.398 -2.203
262 HA GLU 38 HA GLU 38 -12.192 10.149 -1.252
263 HB2 GLU 38 1HB GLU 38 -11.869 7.255 -0.514
264 HB3 GLU 38 2HB GLU 38 -13.322 8.139 -0.067
265 HG2 GLU 38 1HG GLU 38 -13.998 8.404 -2.259
266 HG3 GLU 38 2HG GLU 38 -12.374 8.152 -2.897
267 H LYS 39 H LYS 39 -9.994 10.950 0.345
268 HA LYS 39 HA LYS 39 -11.141 10.724 3.051
269 HB2 LYS 39 1HB LYS 39 -8.974 9.713 3.062
270 HB3 LYS 39 2HB LYS 39 -8.274 11.059 2.173
271 HG2 LYS 39 1HG LYS 39 -8.134 12.389 4.015
272 HG3 LYS 39 2HG LYS 39 -9.524 11.636 4.801
273 HD2 LYS 39 1HD LYS 39 -8.196 9.663 5.306
274 HD3 LYS 39 2HD LYS 39 -6.812 10.355 4.456
275 HE2 LYS 39 1HE LYS 39 -6.270 10.929 6.597
276 HE3 LYS 39 2HE LYS 39 -7.222 12.343 6.148
277 HZ1 LYS 39 3HZ LYS 39 -7.699 11.116 8.362
278 HZ2 LYS 39 1HZ LYS 39 -8.558 10.035 7.384
279 HZ3 LYS 39 2HZ LYS 39 -8.991 11.670 7.421
280 H SER 40 H SER 40 -9.289 12.899 0.926
281 HA SER 40 HA SER 40 -9.789 15.216 2.497
282 HB2 SER 40 1HB SER 40 -7.866 15.276 1.101
283 HB3 SER 40 2HB SER 40 -8.797 14.818 -0.326
284 HG SER 40 HG SER 40 -9.000 16.874 -0.654
285 H SER 41 H SER 41 -11.235 13.916 -0.467
286 HA SER 41 HA SER 41 -13.110 16.065 -0.729
287 HB2 SER 41 1HB SER 41 -13.219 13.332 -2.023
288 HB3 SER 41 2HB SER 41 -14.039 14.797 -2.565
289 HG SER 41 HG SER 41 -11.564 15.492 -2.453
290 H GLY 42 H GLY 42 -14.789 16.350 0.573
291 HA2 GLY 42 1HA GLY 42 -16.018 13.979 1.823
292 HA3 GLY 42 2HA GLY 42 -16.070 15.607 2.484
293 HA PRO 43 HA PRO 43 -19.517 14.678 -0.828
294 HB2 PRO 43 1HB PRO 43 -21.087 12.746 0.257
295 HB3 PRO 43 2HB PRO 43 -19.757 12.393 -0.853
296 HG2 PRO 43 1HG PRO 43 -19.823 12.235 2.136
297 HG3 PRO 43 2HG PRO 43 -19.118 11.099 0.970
298 HD2 PRO 43 1HD PRO 43 -17.625 12.894 2.341
299 HD3 PRO 43 2HD PRO 43 -17.213 12.367 0.696
300 H SER 44 H SER 44 -21.709 15.384 -0.623
301 HA SER 44 HA SER 44 -22.408 16.390 2.057
302 HB2 SER 44 1HB SER 44 -23.443 18.359 0.894
303 HB3 SER 44 2HB SER 44 -21.688 18.281 0.746
304 HG SER 44 HG SER 44 -22.331 18.627 -1.289
305 H SER 45 H SER 45 -23.284 13.929 1.096
306 HA SER 45 HA SER 45 -26.143 14.472 0.627
307 HB2 SER 45 1HB SER 45 -26.234 12.293 -0.588
308 HB3 SER 45 2HB SER 45 -25.218 13.493 -1.388
309 HG SER 45 HG SER 45 -23.404 12.453 -0.562
310 H GLY 46 H GLY 46 -25.073 14.342 3.184
311 HA2 GLY 46 1HA GLY 46 -25.037 11.836 4.407
312 HA3 GLY 46 2HA GLY 46 -25.459 13.340 5.212
Start of MODEL 14
1 H1 GLY 1 H GLY 1 22.763 -17.072 21.614
2 HA2 GLY 1 1HA GLY 1 22.365 -14.651 22.905
3 HA3 GLY 1 2HA GLY 1 24.095 -14.769 22.617
4 H SER 2 H SER 2 24.834 -14.986 20.414
5 HA SER 2 HA SER 2 23.950 -13.130 18.663
6 HB2 SER 2 1HB SER 2 25.178 -14.239 16.933
7 HB3 SER 2 2HB SER 2 26.024 -14.563 18.446
8 HG SER 2 HG SER 2 25.823 -16.479 17.306
9 H SER 3 H SER 3 22.404 -12.886 17.132
10 HA SER 3 HA SER 3 20.700 -15.158 16.443
11 HB2 SER 3 1HB SER 3 19.649 -12.552 17.570
12 HB3 SER 3 2HB SER 3 18.649 -13.819 16.859
13 HG SER 3 HG SER 3 19.121 -13.705 19.301
14 H GLY 4 H GLY 4 19.041 -14.438 14.726
15 HA2 GLY 4 1HA GLY 4 20.532 -12.903 12.722
16 HA3 GLY 4 2HA GLY 4 19.205 -14.009 12.399
17 H SER 5 H SER 5 18.364 -12.290 11.046
18 HA SER 5 HA SER 5 16.421 -10.721 12.434
19 HB2 SER 5 1HB SER 5 18.898 -9.421 11.384
20 HB3 SER 5 2HB SER 5 17.366 -8.566 11.206
21 HG SER 5 HG SER 5 17.676 -7.988 13.196
22 H SER 6 H SER 6 14.755 -11.281 11.188
23 HA SER 6 HA SER 6 14.997 -11.760 8.379
24 HB2 SER 6 1HB SER 6 13.330 -12.822 10.049
25 HB3 SER 6 2HB SER 6 12.381 -11.354 9.815
26 HG SER 6 HG SER 6 11.704 -12.192 8.025
27 H GLY 7 H GLY 7 15.747 -9.839 7.458
28 HA2 GLY 7 1HA GLY 7 13.980 -7.497 7.666
29 HA3 GLY 7 2HA GLY 7 15.639 -7.477 7.089
30 H SER 8 H SER 8 12.467 -7.312 6.160
31 HA SER 8 HA SER 8 13.053 -8.304 3.450
32 HB2 SER 8 1HB SER 8 10.535 -8.151 5.061
33 HB3 SER 8 2HB SER 8 10.429 -8.068 3.302
34 HG SER 8 HG SER 8 10.505 -10.228 4.636
35 H GLY 9 H GLY 9 14.093 -5.843 4.146
36 HA2 GLY 9 1HA GLY 9 12.588 -4.110 2.327
37 HA3 GLY 9 2HA GLY 9 12.931 -3.496 3.938
38 H GLU 10 H GLU 10 14.271 -4.344 0.837
39 HA GLU 10 HA GLU 10 16.883 -3.277 1.659
40 HB2 GLU 10 1HB GLU 10 16.131 -4.879 -0.793
41 HB3 GLU 10 2HB GLU 10 17.751 -4.316 -0.403
42 HG2 GLU 10 1HG GLU 10 16.135 -6.210 1.287
43 HG3 GLU 10 2HG GLU 10 17.384 -6.690 0.139
44 H ARG 11 H ARG 11 15.093 -1.315 1.451
45 HA ARG 11 HA ARG 11 15.853 0.015 -1.056
46 HB2 ARG 11 1HB ARG 11 13.120 -0.370 0.074
47 HB3 ARG 11 2HB ARG 11 13.479 1.157 -0.720
48 HG2 ARG 11 1HG ARG 11 12.567 -0.158 -2.405
49 HG3 ARG 11 2HG ARG 11 14.307 -0.268 -2.677
50 HD2 ARG 11 1HD ARG 11 14.419 -2.449 -1.938
51 HD3 ARG 11 2HD ARG 11 12.967 -2.298 -0.950
52 HE ARG 11 HE ARG 11 13.104 -2.950 -3.768
53 HH11 ARG 11 1HH1 ARG 11 11.118 -1.914 -1.103
54 HH12 ARG 11 2HH1 ARG 11 9.634 -2.416 -1.843
55 HH21 ARG 11 1HH2 ARG 11 11.157 -3.614 -4.753
56 HH22 ARG 11 2HH2 ARG 11 9.658 -3.384 -3.920
57 HA PRO 12 HA PRO 12 16.996 3.461 1.406
58 HB2 PRO 12 1HB PRO 12 16.276 5.556 -0.164
59 HB3 PRO 12 2HB PRO 12 17.648 4.506 -0.534
60 HG2 PRO 12 1HG PRO 12 14.871 4.457 -1.649
61 HG3 PRO 12 2HG PRO 12 16.419 4.272 -2.494
62 HD2 PRO 12 1HD PRO 12 14.856 2.160 -1.839
63 HD3 PRO 12 2HD PRO 12 16.628 2.057 -1.890
64 H PHE 13 H PHE 13 13.699 3.431 0.175
65 HA PHE 13 HA PHE 13 12.853 4.888 2.589
66 HB2 PHE 13 1HB PHE 13 11.778 5.157 -0.222
67 HB3 PHE 13 2HB PHE 13 10.961 5.801 1.199
68 HD1 PHE 13 HD1 PHE 13 13.944 6.080 -0.934
69 HD2 PHE 13 HD2 PHE 13 11.714 7.791 2.262
70 HE1 PHE 13 HE1 PHE 13 15.286 8.135 -1.102
71 HE2 PHE 13 HE2 PHE 13 13.052 9.849 2.098
72 HZ PHE 13 HZ PHE 13 14.840 10.024 0.414
73 H LYS 14 H LYS 14 10.475 4.517 3.062
74 HA LYS 14 HA LYS 14 9.355 2.029 2.119
75 HB2 LYS 14 1HB LYS 14 10.754 1.041 3.746
76 HB3 LYS 14 2HB LYS 14 10.449 2.325 4.908
77 HG2 LYS 14 1HG LYS 14 8.141 0.690 4.012
78 HG3 LYS 14 2HG LYS 14 9.311 -0.049 5.108
79 HD2 LYS 14 1HD LYS 14 9.015 2.148 6.473
80 HD3 LYS 14 2HD LYS 14 7.516 2.303 5.554
81 HE2 LYS 14 1HE LYS 14 6.785 1.154 7.406
82 HE3 LYS 14 2HE LYS 14 7.145 -0.173 6.302
83 HZ1 LYS 14 3HZ LYS 14 8.031 -0.155 8.759
84 HZ2 LYS 14 1HZ LYS 14 9.282 0.754 8.073
85 HZ3 LYS 14 2HZ LYS 14 8.954 -0.804 7.500
86 H CYS 15 H CYS 15 7.171 1.726 2.753
87 HA CYS 15 HA CYS 15 5.878 4.221 3.575
88 HB2 CYS 15 1HB CYS 15 4.969 3.450 1.541
89 HB3 CYS 15 2HB CYS 15 4.919 1.781 2.098
90 H ASN 16 H ASN 16 4.527 4.373 5.318
91 HA ASN 16 HA ASN 16 4.735 2.218 7.273
92 HB2 ASN 16 1HB ASN 16 3.692 5.046 7.548
93 HB3 ASN 16 2HB ASN 16 3.846 3.891 8.869
94 HD21 ASN 16 1HD2 ASN 16 5.481 4.446 10.101
95 HD22 ASN 16 2HD2 ASN 16 7.035 4.970 9.559
96 H GLU 17 H GLU 17 2.437 3.693 5.159
97 HA GLU 17 HA GLU 17 0.034 3.069 6.426
98 HB2 GLU 17 1HB GLU 17 0.517 2.973 3.447
99 HB3 GLU 17 2HB GLU 17 -1.008 3.277 4.268
100 HG2 GLU 17 1HG GLU 17 1.362 5.088 4.579
101 HG3 GLU 17 2HG GLU 17 0.195 5.274 3.272
102 H CYS 18 H CYS 18 1.712 1.183 3.903
103 HA CYS 18 HA CYS 18 0.378 -1.223 4.961
104 HB2 CYS 18 1HB CYS 18 0.461 -2.157 2.695
105 HB3 CYS 18 2HB CYS 18 -0.435 -0.642 2.721
106 H GLY 19 H GLY 19 3.312 0.038 3.420
107 HA2 GLY 19 1HA GLY 19 5.389 -0.674 4.651
108 HA3 GLY 19 2HA GLY 19 4.764 -2.308 4.478
109 H LYS 20 H LYS 20 4.357 -0.014 1.906
110 HA LYS 20 HA LYS 20 5.748 -1.698 0.069
111 HB2 LYS 20 1HB LYS 20 3.764 -0.288 -0.513
112 HB3 LYS 20 2HB LYS 20 4.784 1.135 -0.357
113 HG2 LYS 20 1HG LYS 20 4.630 0.617 -2.665
114 HG3 LYS 20 2HG LYS 20 6.255 0.175 -2.136
115 HD2 LYS 20 1HD LYS 20 5.520 -1.613 -3.487
116 HD3 LYS 20 2HD LYS 20 5.352 -2.179 -1.824
117 HE2 LYS 20 1HE LYS 20 2.932 -1.327 -2.002
118 HE3 LYS 20 2HE LYS 20 3.218 -1.300 -3.741
119 HZ1 LYS 20 3HZ LYS 20 4.111 -3.758 -2.862
120 HZ2 LYS 20 1HZ LYS 20 2.708 -3.441 -3.754
121 HZ3 LYS 20 2HZ LYS 20 2.639 -3.509 -2.065
122 H GLY 21 H GLY 21 7.525 -0.979 -1.324
123 HA2 GLY 21 1HA GLY 21 9.296 0.993 -0.038
124 HA3 GLY 21 2HA GLY 21 9.903 -0.609 -0.430
125 H PHE 22 H PHE 22 10.678 2.108 -1.382
126 HA PHE 22 HA PHE 22 10.665 1.455 -4.230
127 HB2 PHE 22 1HB PHE 22 9.939 4.194 -3.168
128 HB3 PHE 22 2HB PHE 22 10.115 3.757 -4.864
129 HD1 PHE 22 HD2 PHE 22 8.146 2.962 -1.818
130 HD2 PHE 22 HD1 PHE 22 8.291 2.987 -6.072
131 HE1 PHE 22 HE2 PHE 22 5.767 2.338 -1.899
132 HE2 PHE 22 HE1 PHE 22 5.912 2.364 -6.160
133 HZ PHE 22 HZ PHE 22 4.647 2.038 -4.072
134 H GLY 23 H GLY 23 12.319 2.630 -5.449
135 HA2 GLY 23 1HA GLY 23 14.741 2.861 -3.883
136 HA3 GLY 23 2HA GLY 23 14.615 2.946 -5.634
137 H ARG 24 H ARG 24 12.662 5.019 -5.751
138 HA ARG 24 HA ARG 24 14.366 7.284 -4.983
139 HB2 ARG 24 1HB ARG 24 12.232 6.984 -7.096
140 HB3 ARG 24 2HB ARG 24 12.936 8.536 -6.662
141 HG2 ARG 24 1HG ARG 24 14.104 7.823 -8.564
142 HG3 ARG 24 2HG ARG 24 15.187 7.509 -7.206
143 HD2 ARG 24 1HD ARG 24 14.769 5.198 -7.268
144 HD3 ARG 24 2HD ARG 24 13.339 5.401 -8.280
145 HE ARG 24 HE ARG 24 15.276 6.333 -9.875
146 HH11 ARG 24 1HH1 ARG 24 15.048 3.431 -7.966
147 HH12 ARG 24 2HH1 ARG 24 16.038 2.494 -9.035
148 HH21 ARG 24 1HH2 ARG 24 16.581 5.110 -11.291
149 HH22 ARG 24 2HH2 ARG 24 16.911 3.450 -10.925
150 H ARG 25 H ARG 25 13.561 9.034 -3.859
151 HA ARG 25 HA ARG 25 11.611 8.575 -1.926
152 HB2 ARG 25 1HB ARG 25 13.486 10.405 -2.120
153 HB3 ARG 25 2HB ARG 25 12.200 11.362 -2.843
154 HG2 ARG 25 1HG ARG 25 11.866 10.020 -0.183
155 HG3 ARG 25 2HG ARG 25 12.600 11.617 -0.343
156 HD2 ARG 25 1HD ARG 25 9.944 11.021 -1.592
157 HD3 ARG 25 2HD ARG 25 10.059 11.434 0.118
158 HE ARG 25 HE ARG 25 10.497 13.198 -2.139
159 HH11 ARG 25 1HH1 ARG 25 10.845 12.679 1.285
160 HH12 ARG 25 2HH1 ARG 25 11.000 14.364 1.657
161 HH21 ARG 25 1HH2 ARG 25 10.699 15.420 -1.662
162 HH22 ARG 25 2HH2 ARG 25 10.916 15.922 -0.020
163 H SER 26 H SER 26 11.372 10.636 -4.828
164 HA SER 26 HA SER 26 8.689 11.330 -4.548
165 HB2 SER 26 1HB SER 26 10.039 12.519 -6.129
166 HB3 SER 26 2HB SER 26 10.406 11.041 -7.019
167 HG SER 26 HG SER 26 7.976 12.471 -6.889
168 H HIS 27 H HIS 27 10.174 8.461 -5.909
169 HA HIS 27 HA HIS 27 7.955 7.397 -7.245
170 HB2 HIS 27 1HB HIS 27 10.473 6.275 -6.107
171 HB3 HIS 27 2HB HIS 27 9.194 5.148 -6.550
172 HD1 HIS 27 HD1 HIS 27 10.948 4.301 -8.378
173 HD2 HIS 27 HD2 HIS 27 9.447 8.134 -8.940
174 HE1 HIS 27 HE1 HIS 27 11.475 4.886 -10.766
175 H LEU 28 H LEU 28 8.930 7.240 -3.866
176 HA LEU 28 HA LEU 28 6.818 5.405 -3.161
177 HB2 LEU 28 1HB LEU 28 8.668 5.128 -1.809
178 HB3 LEU 28 2HB LEU 28 8.964 6.861 -1.685
179 HG LEU 28 HG LEU 28 6.907 6.991 -0.231
180 HD11 LEU 28 1HD1 LEU 28 6.626 4.320 -1.057
181 HD12 LEU 28 2HD1 LEU 28 5.628 5.211 0.092
182 HD13 LEU 28 3HD1 LEU 28 7.010 4.276 0.664
183 HD21 LEU 28 3HD2 LEU 28 8.939 5.170 0.996
184 HD22 LEU 28 1HD2 LEU 28 8.121 6.568 1.694
185 HD23 LEU 28 2HD2 LEU 28 9.388 6.799 0.490
186 H ALA 29 H ALA 29 7.556 8.814 -2.431
187 HA ALA 29 HA ALA 29 5.514 9.625 -0.909
188 HB1 ALA 29 3HB ALA 29 6.963 10.904 -3.136
189 HB2 ALA 29 1HB ALA 29 5.457 11.678 -2.643
190 HB3 ALA 29 2HB ALA 29 6.748 11.430 -1.467
191 H GLY 30 H GLY 30 5.252 8.988 -4.390
192 HA2 GLY 30 1HA GLY 30 2.531 9.757 -4.620
193 HA3 GLY 30 2HA GLY 30 3.421 8.758 -5.759
194 H HIS 31 H HIS 31 4.100 6.677 -3.917
195 HA HIS 31 HA HIS 31 1.927 4.972 -4.223
196 HB2 HIS 31 1HB HIS 31 4.085 4.022 -3.875
197 HB3 HIS 31 2HB HIS 31 4.284 4.863 -2.341
198 HD1 HIS 31 HD1 HIS 31 2.356 2.011 -3.887
199 HD2 HIS 31 HD2 HIS 31 3.316 3.529 -0.141
200 HE1 HIS 31 HE1 HIS 31 1.590 0.271 -2.240
201 H LEU 32 H LEU 32 2.497 7.387 -1.855
202 HA LEU 32 HA LEU 32 0.574 6.267 0.025
203 HB2 LEU 32 1HB LEU 32 2.162 8.828 0.112
204 HB3 LEU 32 2HB LEU 32 1.125 8.228 1.404
205 HG LEU 32 HG LEU 32 3.115 7.516 2.215
206 HD11 LEU 32 1HD1 LEU 32 2.384 5.367 0.237
207 HD12 LEU 32 2HD1 LEU 32 1.910 5.481 1.931
208 HD13 LEU 32 3HD1 LEU 32 3.592 5.166 1.506
209 HD21 LEU 32 3HD2 LEU 32 4.149 8.449 -0.066
210 HD22 LEU 32 1HD2 LEU 32 4.388 6.723 -0.335
211 HD23 LEU 32 2HD2 LEU 32 5.082 7.497 1.090
212 H ARG 33 H ARG 33 0.777 8.659 -2.475
213 HA ARG 33 HA ARG 33 -1.292 10.377 -1.837
214 HB2 ARG 33 1HB ARG 33 -0.299 9.352 -4.488
215 HB3 ARG 33 2HB ARG 33 -1.596 10.535 -4.380
216 HG2 ARG 33 1HG ARG 33 -0.181 12.156 -3.433
217 HG3 ARG 33 2HG ARG 33 1.073 10.966 -3.079
218 HD2 ARG 33 1HD ARG 33 1.940 11.955 -4.958
219 HD3 ARG 33 2HD ARG 33 1.042 10.618 -5.675
220 HE ARG 33 HE ARG 33 -0.782 12.561 -5.733
221 HH11 ARG 33 1HH1 ARG 33 2.580 12.561 -6.636
222 HH12 ARG 33 2HH1 ARG 33 2.386 13.771 -7.861
223 HH21 ARG 33 1HH2 ARG 33 -1.051 14.155 -7.342
224 HH22 ARG 33 2HH2 ARG 33 0.320 14.678 -8.261
225 H LEU 34 H LEU 34 -1.425 7.127 -3.154
226 HA LEU 34 HA LEU 34 -4.228 7.206 -3.740
227 HB2 LEU 34 1HB LEU 34 -3.978 4.755 -4.020
228 HB3 LEU 34 2HB LEU 34 -2.855 5.708 -4.988
229 HG LEU 34 HG LEU 34 -1.209 5.246 -3.011
230 HD11 LEU 34 1HD1 LEU 34 -2.294 4.123 -1.375
231 HD12 LEU 34 2HD1 LEU 34 -1.839 2.732 -2.358
232 HD13 LEU 34 3HD1 LEU 34 -3.463 3.408 -2.486
233 HD21 LEU 34 3HD2 LEU 34 -0.367 3.335 -4.179
234 HD22 LEU 34 1HD2 LEU 34 -1.034 4.454 -5.368
235 HD23 LEU 34 2HD2 LEU 34 -1.945 3.017 -4.902
236 H HIS 35 H HIS 35 -2.257 6.288 -1.004
237 HA HIS 35 HA HIS 35 -4.140 4.795 0.438
238 HB2 HIS 35 1HB HIS 35 -1.661 6.297 1.109
239 HB3 HIS 35 2HB HIS 35 -2.733 5.874 2.440
240 HD1 HIS 35 HD1 HIS 35 -3.500 3.122 2.151
241 HD2 HIS 35 HD2 HIS 35 0.214 4.394 0.794
242 HE1 HIS 35 HE1 HIS 35 -2.083 1.048 2.027
243 H SER 36 H SER 36 -3.729 8.237 0.028
244 HA SER 36 HA SER 36 -5.946 8.714 1.908
245 HB2 SER 36 1HB SER 36 -4.091 10.849 0.869
246 HB3 SER 36 2HB SER 36 -5.101 10.878 2.314
247 HG SER 36 HG SER 36 -3.640 8.935 2.860
248 H ARG 37 H ARG 37 -6.782 7.751 -0.436
249 HA ARG 37 HA ARG 37 -7.552 10.068 -2.071
250 HB2 ARG 37 1HB ARG 37 -7.856 8.629 -3.885
251 HB3 ARG 37 2HB ARG 37 -6.445 7.964 -3.074
252 HG2 ARG 37 1HG ARG 37 -7.732 6.208 -2.107
253 HG3 ARG 37 2HG ARG 37 -9.242 6.945 -2.650
254 HD2 ARG 37 1HD ARG 37 -7.188 6.287 -4.695
255 HD3 ARG 37 2HD ARG 37 -8.092 4.957 -3.973
256 HE ARG 37 HE ARG 37 -10.040 6.676 -4.683
257 HH11 ARG 37 1HH1 ARG 37 -7.326 5.340 -6.406
258 HH12 ARG 37 2HH1 ARG 37 -8.116 5.385 -7.947
259 HH21 ARG 37 1HH2 ARG 37 -11.091 6.739 -6.706
260 HH22 ARG 37 2HH2 ARG 37 -10.257 6.182 -8.117
261 H GLU 38 H GLU 38 -8.864 7.243 -0.391
262 HA GLU 38 HA GLU 38 -11.463 8.609 -0.291
263 HB2 GLU 38 1HB GLU 38 -10.950 5.733 -1.037
264 HB3 GLU 38 2HB GLU 38 -12.522 6.305 -0.496
265 HG2 GLU 38 1HG GLU 38 -12.911 7.483 -2.411
266 HG3 GLU 38 2HG GLU 38 -11.198 7.735 -2.737
267 H LYS 39 H LYS 39 -9.638 8.763 1.734
268 HA LYS 39 HA LYS 39 -9.603 6.828 3.692
269 HB2 LYS 39 1HB LYS 39 -9.713 9.832 4.002
270 HB3 LYS 39 2HB LYS 39 -9.336 8.721 5.313
271 HG2 LYS 39 1HG LYS 39 -7.750 8.797 2.765
272 HG3 LYS 39 2HG LYS 39 -7.380 9.827 4.150
273 HD2 LYS 39 1HD LYS 39 -7.404 7.607 5.491
274 HD3 LYS 39 2HD LYS 39 -7.216 6.846 3.909
275 HE2 LYS 39 1HE LYS 39 -5.129 7.801 3.559
276 HE3 LYS 39 2HE LYS 39 -5.411 9.085 4.734
277 HZ1 LYS 39 3HZ LYS 39 -3.873 7.533 5.654
278 HZ2 LYS 39 1HZ LYS 39 -4.887 6.222 5.314
279 HZ3 LYS 39 2HZ LYS 39 -5.335 7.357 6.486
280 H SER 40 H SER 40 -10.889 6.287 5.439
281 HA SER 40 HA SER 40 -13.707 6.659 5.061
282 HB2 SER 40 1HB SER 40 -12.626 4.541 5.918
283 HB3 SER 40 2HB SER 40 -12.334 5.388 7.437
284 HG SER 40 HG SER 40 -14.326 4.105 7.290
285 H SER 41 H SER 41 -15.007 7.063 7.222
286 HA SER 41 HA SER 41 -14.240 9.740 8.077
287 HB2 SER 41 1HB SER 41 -16.494 10.022 8.778
288 HB3 SER 41 2HB SER 41 -16.579 9.129 7.260
289 HG SER 41 HG SER 41 -17.815 8.394 9.273
290 H GLY 42 H GLY 42 -13.278 10.130 9.955
291 HA2 GLY 42 1HA GLY 42 -12.788 9.972 12.213
292 HA3 GLY 42 2HA GLY 42 -13.946 8.655 12.336
293 HA PRO 43 HA PRO 43 -9.671 6.818 10.919
294 HB2 PRO 43 1HB PRO 43 -7.525 8.389 11.466
295 HB3 PRO 43 2HB PRO 43 -8.382 8.437 9.921
296 HG2 PRO 43 1HG PRO 43 -8.622 10.267 12.277
297 HG3 PRO 43 2HG PRO 43 -8.558 10.668 10.551
298 HD2 PRO 43 1HD PRO 43 -10.878 10.598 11.945
299 HD3 PRO 43 2HD PRO 43 -10.785 10.172 10.224
300 H SER 44 H SER 44 -8.526 5.473 12.252
301 HA SER 44 HA SER 44 -7.683 6.210 14.877
302 HB2 SER 44 1HB SER 44 -10.011 5.987 15.448
303 HB3 SER 44 2HB SER 44 -10.127 4.450 14.591
304 HG SER 44 HG SER 44 -9.396 3.483 16.300
305 H SER 45 H SER 45 -6.311 4.695 15.794
306 HA SER 45 HA SER 45 -4.706 3.162 14.297
307 HB2 SER 45 1HB SER 45 -5.651 2.575 17.108
308 HB3 SER 45 2HB SER 45 -4.314 1.722 16.337
309 HG SER 45 HG SER 45 -4.496 4.444 17.061
310 H GLY 46 H GLY 46 -4.943 1.502 12.962
311 HA2 GLY 46 1HA GLY 46 -7.405 -0.007 12.923
312 HA3 GLY 46 2HA GLY 46 -6.064 -0.165 11.799
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -1.009 -10.430 8.865
2 HA2 GLY 1 1HA GLY 1 0.003 -9.846 11.559
3 HA3 GLY 1 2HA GLY 1 -0.302 -11.446 10.899
4 H SER 2 H SER 2 1.069 -11.406 8.544
5 HA SER 2 HA SER 2 3.848 -11.026 9.446
6 HB2 SER 2 1HB SER 2 2.586 -13.144 7.716
7 HB3 SER 2 2HB SER 2 4.323 -12.842 7.678
8 HG SER 2 HG SER 2 2.735 -13.712 9.850
9 H SER 3 H SER 3 2.495 -8.892 8.302
10 HA SER 3 HA SER 3 2.411 -8.391 5.684
11 HB2 SER 3 1HB SER 3 3.910 -6.576 7.586
12 HB3 SER 3 2HB SER 3 3.081 -6.102 6.104
13 HG SER 3 HG SER 3 1.308 -5.980 7.206
14 H GLY 4 H GLY 4 5.442 -8.496 7.542
15 HA2 GLY 4 1HA GLY 4 6.869 -9.398 5.192
16 HA3 GLY 4 2HA GLY 4 7.320 -7.789 5.736
17 H SER 5 H SER 5 9.153 -9.866 5.634
18 HA SER 5 HA SER 5 9.600 -10.423 8.495
19 HB2 SER 5 1HB SER 5 9.159 -12.425 6.960
20 HB3 SER 5 2HB SER 5 10.731 -12.079 6.240
21 HG SER 5 HG SER 5 11.254 -12.073 8.736
22 H SER 6 H SER 6 10.399 -8.017 7.348
23 HA SER 6 HA SER 6 12.200 -6.671 6.925
24 HB2 SER 6 1HB SER 6 12.458 -7.411 9.353
25 HB3 SER 6 2HB SER 6 13.682 -8.541 8.775
26 HG SER 6 HG SER 6 14.245 -6.228 9.497
27 H GLY 7 H GLY 7 11.896 -8.586 4.934
28 HA2 GLY 7 1HA GLY 7 14.565 -8.634 3.862
29 HA3 GLY 7 2HA GLY 7 13.960 -10.236 4.259
30 H SER 8 H SER 8 12.316 -7.396 2.891
31 HA SER 8 HA SER 8 11.733 -9.004 0.493
32 HB2 SER 8 1HB SER 8 9.504 -7.838 0.421
33 HB3 SER 8 2HB SER 8 9.701 -8.942 1.782
34 HG SER 8 HG SER 8 10.289 -6.191 2.017
35 H GLY 9 H GLY 9 13.897 -7.266 0.662
36 HA2 GLY 9 1HA GLY 9 14.499 -5.933 -1.330
37 HA3 GLY 9 2HA GLY 9 13.000 -5.050 -1.077
38 H GLU 10 H GLU 10 16.267 -4.922 -0.670
39 HA GLU 10 HA GLU 10 16.279 -3.451 1.828
40 HB2 GLU 10 1HB GLU 10 18.469 -4.066 -0.161
41 HB3 GLU 10 2HB GLU 10 18.718 -3.185 1.340
42 HG2 GLU 10 1HG GLU 10 19.317 -5.276 2.001
43 HG3 GLU 10 2HG GLU 10 17.600 -5.312 2.396
44 H ARG 11 H ARG 11 14.589 -2.118 0.293
45 HA ARG 11 HA ARG 11 15.829 -0.113 -1.333
46 HB2 ARG 11 1HB ARG 11 13.041 -0.423 -0.223
47 HB3 ARG 11 2HB ARG 11 13.525 0.947 -1.214
48 HG2 ARG 11 1HG ARG 11 13.917 -1.857 -2.181
49 HG3 ARG 11 2HG ARG 11 12.356 -1.048 -2.336
50 HD2 ARG 11 1HD ARG 11 13.296 -0.473 -4.337
51 HD3 ARG 11 2HD ARG 11 13.842 0.879 -3.347
52 HE ARG 11 HE ARG 11 15.993 0.141 -3.589
53 HH11 ARG 11 1HH1 ARG 11 13.805 -2.412 -4.493
54 HH12 ARG 11 2HH1 ARG 11 15.056 -3.446 -5.099
55 HH21 ARG 11 1HH2 ARG 11 17.649 -1.212 -4.384
56 HH22 ARG 11 2HH2 ARG 11 17.242 -2.763 -5.036
57 HA PRO 12 HA PRO 12 16.876 2.920 1.662
58 HB2 PRO 12 1HB PRO 12 16.360 5.214 0.305
59 HB3 PRO 12 2HB PRO 12 17.733 4.165 -0.069
60 HG2 PRO 12 1HG PRO 12 15.070 4.354 -1.424
61 HG3 PRO 12 2HG PRO 12 16.685 4.215 -2.144
62 HD2 PRO 12 1HD PRO 12 15.013 2.099 -1.896
63 HD3 PRO 12 2HD PRO 12 16.779 1.938 -1.802
64 H PHE 13 H PHE 13 13.780 3.511 0.015
65 HA PHE 13 HA PHE 13 12.761 4.763 2.469
66 HB2 PHE 13 1HB PHE 13 11.824 4.883 -0.397
67 HB3 PHE 13 2HB PHE 13 10.862 5.494 0.944
68 HD1 PHE 13 HD1 PHE 13 14.434 5.729 -0.124
69 HD2 PHE 13 HD2 PHE 13 10.926 7.768 1.161
70 HE1 PHE 13 HE1 PHE 13 15.639 7.871 -0.245
71 HE2 PHE 13 HE2 PHE 13 12.124 9.913 1.042
72 HZ PHE 13 HZ PHE 13 14.484 9.967 0.338
73 H LYS 14 H LYS 14 10.454 4.299 2.996
74 HA LYS 14 HA LYS 14 9.375 1.779 2.090
75 HB2 LYS 14 1HB LYS 14 11.128 1.342 3.958
76 HB3 LYS 14 2HB LYS 14 9.905 1.998 5.038
77 HG2 LYS 14 1HG LYS 14 9.091 -0.152 3.162
78 HG3 LYS 14 2HG LYS 14 10.097 -0.587 4.545
79 HD2 LYS 14 1HD LYS 14 8.378 0.777 5.919
80 HD3 LYS 14 2HD LYS 14 7.338 0.582 4.506
81 HE2 LYS 14 1HE LYS 14 6.836 -1.188 6.024
82 HE3 LYS 14 2HE LYS 14 7.721 -1.883 4.668
83 HZ1 LYS 14 3HZ LYS 14 8.594 -2.790 6.670
84 HZ2 LYS 14 1HZ LYS 14 8.786 -1.260 7.366
85 HZ3 LYS 14 2HZ LYS 14 9.754 -1.722 6.059
86 H CYS 15 H CYS 15 7.195 1.577 2.489
87 HA CYS 15 HA CYS 15 5.864 4.000 3.375
88 HB2 CYS 15 1HB CYS 15 5.106 2.919 1.312
89 HB3 CYS 15 2HB CYS 15 4.748 1.443 2.204
90 H ASN 16 H ASN 16 5.119 4.284 5.364
91 HA ASN 16 HA ASN 16 5.170 2.127 7.271
92 HB2 ASN 16 1HB ASN 16 5.857 4.469 7.826
93 HB3 ASN 16 2HB ASN 16 4.173 4.958 7.654
94 HD21 ASN 16 1HD2 ASN 16 6.527 3.726 9.723
95 HD22 ASN 16 2HD2 ASN 16 5.505 3.339 11.061
96 H GLU 17 H GLU 17 2.903 3.321 5.088
97 HA GLU 17 HA GLU 17 0.526 2.897 6.611
98 HB2 GLU 17 1HB GLU 17 0.726 2.854 3.604
99 HB3 GLU 17 2HB GLU 17 -0.662 3.292 4.591
100 HG2 GLU 17 1HG GLU 17 1.880 4.870 4.692
101 HG3 GLU 17 2HG GLU 17 0.662 5.161 3.452
102 H CYS 18 H CYS 18 1.942 1.082 3.883
103 HA CYS 18 HA CYS 18 0.615 -1.331 4.933
104 HB2 CYS 18 1HB CYS 18 0.559 -2.176 2.631
105 HB3 CYS 18 2HB CYS 18 -0.291 -0.639 2.761
106 H GLY 19 H GLY 19 3.511 -0.084 3.319
107 HA2 GLY 19 1HA GLY 19 5.598 -0.960 4.474
108 HA3 GLY 19 2HA GLY 19 4.928 -2.546 4.121
109 H LYS 20 H LYS 20 4.232 -0.320 1.688
110 HA LYS 20 HA LYS 20 5.914 -1.687 -0.182
111 HB2 LYS 20 1HB LYS 20 3.570 -0.487 -0.484
112 HB3 LYS 20 2HB LYS 20 4.585 0.897 -0.868
113 HG2 LYS 20 1HG LYS 20 4.282 -1.689 -2.329
114 HG3 LYS 20 2HG LYS 20 4.188 -0.035 -2.940
115 HD2 LYS 20 1HD LYS 20 6.609 0.217 -2.565
116 HD3 LYS 20 2HD LYS 20 6.684 -1.456 -2.009
117 HE2 LYS 20 1HE LYS 20 5.475 -0.914 -4.670
118 HE3 LYS 20 2HE LYS 20 7.226 -0.783 -4.514
119 HZ1 LYS 20 3HZ LYS 20 6.724 -3.109 -3.270
120 HZ2 LYS 20 1HZ LYS 20 7.177 -2.973 -4.894
121 HZ3 LYS 20 2HZ LYS 20 5.544 -3.129 -4.482
122 H GLY 21 H GLY 21 7.967 -1.253 -0.630
123 HA2 GLY 21 1HA GLY 21 8.991 1.440 0.025
124 HA3 GLY 21 2HA GLY 21 9.949 -0.029 0.137
125 H PHE 22 H PHE 22 10.392 2.473 -1.382
126 HA PHE 22 HA PHE 22 10.708 1.240 -4.035
127 HB2 PHE 22 1HB PHE 22 10.082 4.159 -3.558
128 HB3 PHE 22 2HB PHE 22 10.221 3.348 -5.114
129 HD1 PHE 22 HD2 PHE 22 8.314 2.938 -1.928
130 HD2 PHE 22 HD1 PHE 22 8.258 2.868 -6.184
131 HE1 PHE 22 HE2 PHE 22 5.902 2.455 -1.885
132 HE2 PHE 22 HE1 PHE 22 5.846 2.386 -6.147
133 HZ PHE 22 HZ PHE 22 4.665 2.178 -3.996
134 H GLY 23 H GLY 23 12.339 2.610 -5.376
135 HA2 GLY 23 1HA GLY 23 14.765 2.726 -3.790
136 HA3 GLY 23 2HA GLY 23 14.652 2.851 -5.540
137 H ARG 24 H ARG 24 12.807 4.963 -5.716
138 HA ARG 24 HA ARG 24 14.522 7.175 -4.843
139 HB2 ARG 24 1HB ARG 24 12.617 6.780 -7.109
140 HB3 ARG 24 2HB ARG 24 12.898 8.413 -6.521
141 HG2 ARG 24 1HG ARG 24 14.376 8.039 -8.339
142 HG3 ARG 24 2HG ARG 24 15.343 8.029 -6.863
143 HD2 ARG 24 1HD ARG 24 16.188 6.154 -7.819
144 HD3 ARG 24 2HD ARG 24 14.799 5.424 -7.015
145 HE ARG 24 HE ARG 24 13.792 6.078 -9.418
146 HH11 ARG 24 1HH1 ARG 24 16.685 4.389 -8.470
147 HH12 ARG 24 2HH1 ARG 24 16.729 3.399 -9.891
148 HH21 ARG 24 1HH2 ARG 24 13.840 4.781 -11.294
149 HH22 ARG 24 2HH2 ARG 24 15.111 3.624 -11.497
150 H ARG 25 H ARG 25 13.576 9.107 -3.987
151 HA ARG 25 HA ARG 25 11.672 8.641 -1.971
152 HB2 ARG 25 1HB ARG 25 13.055 10.406 -1.451
153 HB3 ARG 25 2HB ARG 25 13.029 11.048 -3.088
154 HG2 ARG 25 1HG ARG 25 11.871 12.435 -1.343
155 HG3 ARG 25 2HG ARG 25 10.911 12.040 -2.769
156 HD2 ARG 25 1HD ARG 25 9.525 10.635 -1.617
157 HD3 ARG 25 2HD ARG 25 10.764 10.204 -0.439
158 HE ARG 25 HE ARG 25 8.803 12.182 -0.120
159 HH11 ARG 25 1HH1 ARG 25 12.215 11.701 0.379
160 HH12 ARG 25 2HH1 ARG 25 12.313 12.819 1.698
161 HH21 ARG 25 1HH2 ARG 25 8.919 13.658 1.615
162 HH22 ARG 25 2HH2 ARG 25 10.437 13.931 2.401
163 H SER 26 H SER 26 11.313 10.961 -4.653
164 HA SER 26 HA SER 26 8.615 11.389 -4.465
165 HB2 SER 26 1HB SER 26 8.723 12.363 -6.572
166 HB3 SER 26 2HB SER 26 10.419 12.389 -6.089
167 HG SER 26 HG SER 26 10.734 11.319 -7.864
168 H HIS 27 H HIS 27 10.257 8.606 -5.756
169 HA HIS 27 HA HIS 27 8.159 7.483 -7.248
170 HB2 HIS 27 1HB HIS 27 10.623 6.399 -5.942
171 HB3 HIS 27 2HB HIS 27 9.426 5.275 -6.577
172 HD1 HIS 27 HD1 HIS 27 11.507 4.645 -8.200
173 HD2 HIS 27 HD2 HIS 27 9.705 8.337 -8.815
174 HE1 HIS 27 HE1 HIS 27 12.221 5.367 -10.501
175 H LEU 28 H LEU 28 8.949 7.336 -3.823
176 HA LEU 28 HA LEU 28 6.826 5.442 -3.274
177 HB2 LEU 28 1HB LEU 28 8.614 5.078 -1.868
178 HB3 LEU 28 2HB LEU 28 8.945 6.798 -1.674
179 HG LEU 28 HG LEU 28 6.790 6.887 -0.308
180 HD11 LEU 28 1HD1 LEU 28 7.137 4.047 0.361
181 HD12 LEU 28 2HD1 LEU 28 6.401 4.368 -1.208
182 HD13 LEU 28 3HD1 LEU 28 5.671 5.023 0.257
183 HD21 LEU 28 3HD2 LEU 28 9.325 6.675 0.435
184 HD22 LEU 28 1HD2 LEU 28 8.747 5.136 1.077
185 HD23 LEU 28 2HD2 LEU 28 8.004 6.646 1.604
186 H ALA 29 H ALA 29 7.513 8.867 -2.696
187 HA ALA 29 HA ALA 29 5.483 9.662 -1.090
188 HB1 ALA 29 3HB ALA 29 5.757 11.403 -3.431
189 HB2 ALA 29 1HB ALA 29 6.014 11.747 -1.720
190 HB3 ALA 29 2HB ALA 29 7.281 10.961 -2.662
191 H GLY 30 H GLY 30 5.227 8.965 -4.556
192 HA2 GLY 30 1HA GLY 30 2.499 9.730 -4.792
193 HA3 GLY 30 2HA GLY 30 3.396 8.735 -5.929
194 H HIS 31 H HIS 31 4.084 6.768 -3.835
195 HA HIS 31 HA HIS 31 1.912 5.010 -4.205
196 HB2 HIS 31 1HB HIS 31 4.104 4.094 -3.887
197 HB3 HIS 31 2HB HIS 31 4.282 4.906 -2.334
198 HD1 HIS 31 HD1 HIS 31 2.482 2.024 -3.954
199 HD2 HIS 31 HD2 HIS 31 3.229 3.557 -0.165
200 HE1 HIS 31 HE1 HIS 31 1.704 0.253 -2.347
201 H LEU 32 H LEU 32 2.510 7.450 -1.876
202 HA LEU 32 HA LEU 32 0.625 6.339 0.049
203 HB2 LEU 32 1HB LEU 32 2.153 8.937 0.116
204 HB3 LEU 32 2HB LEU 32 1.218 8.245 1.440
205 HG LEU 32 HG LEU 32 3.293 7.619 2.111
206 HD11 LEU 32 1HD1 LEU 32 3.816 5.305 1.337
207 HD12 LEU 32 2HD1 LEU 32 2.536 5.475 0.136
208 HD13 LEU 32 3HD1 LEU 32 2.146 5.542 1.855
209 HD21 LEU 32 3HD2 LEU 32 5.031 8.179 0.853
210 HD22 LEU 32 1HD2 LEU 32 3.987 8.316 -0.563
211 HD23 LEU 32 2HD2 LEU 32 4.736 6.769 -0.167
212 H ARG 33 H ARG 33 0.735 8.608 -2.538
213 HA ARG 33 HA ARG 33 -1.322 10.359 -1.847
214 HB2 ARG 33 1HB ARG 33 -0.401 9.339 -4.533
215 HB3 ARG 33 2HB ARG 33 -1.626 10.588 -4.355
216 HG2 ARG 33 1HG ARG 33 -0.040 12.034 -3.240
217 HG3 ARG 33 2HG ARG 33 1.190 10.769 -3.304
218 HD2 ARG 33 1HD ARG 33 0.918 10.820 -5.820
219 HD3 ARG 33 2HD ARG 33 -0.035 12.287 -5.596
220 HE ARG 33 HE ARG 33 2.533 12.402 -4.323
221 HH11 ARG 33 1HH1 ARG 33 0.817 12.855 -7.319
222 HH12 ARG 33 2HH1 ARG 33 1.976 13.970 -7.965
223 HH21 ARG 33 1HH2 ARG 33 4.065 13.868 -5.163
224 HH22 ARG 33 2HH2 ARG 33 3.823 14.544 -6.738
225 H LEU 34 H LEU 34 -1.422 7.086 -3.062
226 HA LEU 34 HA LEU 34 -4.236 7.144 -3.664
227 HB2 LEU 34 1HB LEU 34 -3.965 4.707 -3.978
228 HB3 LEU 34 2HB LEU 34 -2.839 5.672 -4.931
229 HG LEU 34 HG LEU 34 -1.194 5.194 -2.964
230 HD11 LEU 34 1HD1 LEU 34 -2.198 4.039 -1.321
231 HD12 LEU 34 2HD1 LEU 34 -1.892 2.649 -2.362
232 HD13 LEU 34 3HD1 LEU 34 -3.471 3.433 -2.381
233 HD21 LEU 34 3HD2 LEU 34 -1.870 2.870 -4.741
234 HD22 LEU 34 1HD2 LEU 34 -0.287 3.415 -4.185
235 HD23 LEU 34 2HD2 LEU 34 -1.175 4.360 -5.381
236 H HIS 35 H HIS 35 -2.295 6.582 -0.886
237 HA HIS 35 HA HIS 35 -4.146 4.959 0.558
238 HB2 HIS 35 1HB HIS 35 -1.627 6.415 1.182
239 HB3 HIS 35 2HB HIS 35 -2.684 6.014 2.533
240 HD1 HIS 35 HD1 HIS 35 -3.469 3.293 2.365
241 HD2 HIS 35 HD2 HIS 35 0.169 4.461 0.734
242 HE1 HIS 35 HE1 HIS 35 -2.102 1.189 2.193
243 H SER 36 H SER 36 -3.861 8.333 -0.068
244 HA SER 36 HA SER 36 -5.494 9.138 2.181
245 HB2 SER 36 1HB SER 36 -5.363 11.403 1.091
246 HB3 SER 36 2HB SER 36 -3.796 10.691 1.477
247 HG SER 36 HG SER 36 -3.460 10.257 -0.642
248 H ARG 37 H ARG 37 -5.835 9.097 -1.363
249 HA ARG 37 HA ARG 37 -8.250 10.101 -1.847
250 HB2 ARG 37 1HB ARG 37 -8.345 8.837 -3.757
251 HB3 ARG 37 2HB ARG 37 -6.660 8.587 -3.321
252 HG2 ARG 37 1HG ARG 37 -7.480 6.497 -2.096
253 HG3 ARG 37 2HG ARG 37 -8.973 6.711 -3.013
254 HD2 ARG 37 1HD ARG 37 -7.813 6.502 -5.088
255 HD3 ARG 37 2HD ARG 37 -6.246 6.560 -4.281
256 HE ARG 37 HE ARG 37 -6.424 4.320 -3.911
257 HH11 ARG 37 1HH1 ARG 37 -9.609 5.603 -4.481
258 HH12 ARG 37 2HH1 ARG 37 -10.381 4.052 -4.457
259 HH21 ARG 37 1HH2 ARG 37 -7.428 2.272 -3.876
260 HH22 ARG 37 2HH2 ARG 37 -9.139 2.158 -4.111
261 H GLU 38 H GLU 38 -10.319 9.825 -1.276
262 HA GLU 38 HA GLU 38 -12.218 8.918 -0.393
263 HB2 GLU 38 1HB GLU 38 -11.202 6.811 -1.626
264 HB3 GLU 38 2HB GLU 38 -10.927 6.258 0.020
265 HG2 GLU 38 1HG GLU 38 -13.428 6.854 0.364
266 HG3 GLU 38 2HG GLU 38 -13.502 6.772 -1.395
267 H LYS 39 H LYS 39 -10.271 10.197 1.220
268 HA LYS 39 HA LYS 39 -9.984 8.700 3.667
269 HB2 LYS 39 1HB LYS 39 -8.494 10.642 2.623
270 HB3 LYS 39 2HB LYS 39 -9.569 11.651 3.582
271 HG2 LYS 39 1HG LYS 39 -8.938 9.917 5.470
272 HG3 LYS 39 2HG LYS 39 -7.509 9.701 4.455
273 HD2 LYS 39 1HD LYS 39 -8.430 12.451 5.198
274 HD3 LYS 39 2HD LYS 39 -7.486 11.492 6.340
275 HE2 LYS 39 1HE LYS 39 -5.659 11.340 4.824
276 HE3 LYS 39 2HE LYS 39 -6.618 12.007 3.503
277 HZ1 LYS 39 3HZ LYS 39 -6.620 13.817 5.656
278 HZ2 LYS 39 1HZ LYS 39 -6.001 14.032 4.097
279 HZ3 LYS 39 2HZ LYS 39 -5.021 13.386 5.314
280 H SER 40 H SER 40 -10.807 9.476 5.738
281 HA SER 40 HA SER 40 -13.566 9.739 5.793
282 HB2 SER 40 1HB SER 40 -11.804 9.160 7.677
283 HB3 SER 40 2HB SER 40 -11.960 10.878 8.045
284 HG SER 40 HG SER 40 -13.653 8.857 8.603
285 H SER 41 H SER 41 -14.818 11.357 5.171
286 HA SER 41 HA SER 41 -14.052 13.847 4.337
287 HB2 SER 41 1HB SER 41 -16.351 12.701 4.151
288 HB3 SER 41 2HB SER 41 -16.697 13.429 5.720
289 HG SER 41 HG SER 41 -17.274 15.067 4.523
290 H GLY 42 H GLY 42 -13.382 15.674 5.265
291 HA2 GLY 42 1HA GLY 42 -14.271 16.638 7.765
292 HA3 GLY 42 2HA GLY 42 -12.721 15.837 7.975
293 HA PRO 43 HA PRO 43 -12.365 20.317 6.339
294 HB2 PRO 43 1HB PRO 43 -11.811 21.592 8.670
295 HB3 PRO 43 2HB PRO 43 -13.453 21.412 8.041
296 HG2 PRO 43 1HG PRO 43 -12.045 19.814 10.145
297 HG3 PRO 43 2HG PRO 43 -13.709 20.425 10.131
298 HD2 PRO 43 1HD PRO 43 -13.096 17.856 9.534
299 HD3 PRO 43 2HD PRO 43 -14.461 18.710 8.787
300 H SER 44 H SER 44 -10.475 19.245 5.460
301 HA SER 44 HA SER 44 -8.087 19.418 7.169
302 HB2 SER 44 1HB SER 44 -8.834 17.246 5.870
303 HB3 SER 44 2HB SER 44 -8.059 18.052 4.505
304 HG SER 44 HG SER 44 -6.943 16.991 6.820
305 H SER 45 H SER 45 -7.014 21.258 6.929
306 HA SER 45 HA SER 45 -7.248 22.886 4.584
307 HB2 SER 45 1HB SER 45 -5.801 24.439 5.730
308 HB3 SER 45 2HB SER 45 -6.946 23.792 6.904
309 HG SER 45 HG SER 45 -5.208 23.331 7.993
310 H GLY 46 H GLY 46 -5.752 23.282 2.990
311 HA2 GLY 46 1HA GLY 46 -3.136 22.817 2.741
312 HA3 GLY 46 2HA GLY 46 -3.772 21.185 2.600
Start of MODEL 16
1 H1 GLY 1 H GLY 1 0.073 -8.108 1.649
2 HA2 GLY 1 1HA GLY 1 1.320 -9.964 2.520
3 HA3 GLY 1 2HA GLY 1 1.648 -8.614 3.596
4 H SER 2 H SER 2 -1.137 -10.802 3.213
5 HA SER 2 HA SER 2 -1.458 -10.995 6.060
6 HB2 SER 2 1HB SER 2 -3.451 -11.033 4.720
7 HB3 SER 2 2HB SER 2 -2.843 -12.377 3.753
8 HG SER 2 HG SER 2 -4.023 -12.380 6.248
9 H SER 3 H SER 3 -0.051 -12.152 7.207
10 HA SER 3 HA SER 3 1.211 -13.888 7.959
11 HB2 SER 3 1HB SER 3 -1.002 -15.083 7.595
12 HB3 SER 3 2HB SER 3 -0.345 -15.647 6.058
13 HG SER 3 HG SER 3 1.273 -16.027 8.270
14 H GLY 4 H GLY 4 2.321 -12.354 5.929
15 HA2 GLY 4 1HA GLY 4 4.014 -14.371 4.612
16 HA3 GLY 4 2HA GLY 4 3.342 -13.048 3.671
17 H SER 5 H SER 5 6.102 -14.039 4.957
18 HA SER 5 HA SER 5 6.977 -11.592 6.224
19 HB2 SER 5 1HB SER 5 7.807 -13.827 6.950
20 HB3 SER 5 2HB SER 5 8.615 -14.000 5.392
21 HG SER 5 HG SER 5 9.730 -11.998 5.952
22 H SER 6 H SER 6 6.053 -11.102 3.652
23 HA SER 6 HA SER 6 7.866 -11.129 1.575
24 HB2 SER 6 1HB SER 6 5.644 -9.259 2.323
25 HB3 SER 6 2HB SER 6 6.678 -8.876 0.946
26 HG SER 6 HG SER 6 5.511 -10.231 -0.136
27 H GLY 7 H GLY 7 8.911 -9.068 0.633
28 HA2 GLY 7 1HA GLY 7 9.931 -7.145 2.498
29 HA3 GLY 7 2HA GLY 7 11.125 -8.368 2.090
30 H SER 8 H SER 8 10.345 -5.345 1.409
31 HA SER 8 HA SER 8 10.156 -5.154 -1.371
32 HB2 SER 8 1HB SER 8 11.502 -3.214 0.524
33 HB3 SER 8 2HB SER 8 10.929 -2.847 -1.103
34 HG SER 8 HG SER 8 8.858 -3.841 0.033
35 H GLY 9 H GLY 9 13.063 -4.908 0.685
36 HA2 GLY 9 1HA GLY 9 14.936 -6.369 -0.253
37 HA3 GLY 9 2HA GLY 9 14.689 -5.432 -1.719
38 H GLU 10 H GLU 10 15.114 -4.774 1.764
39 HA GLU 10 HA GLU 10 16.220 -3.062 2.816
40 HB2 GLU 10 1HB GLU 10 18.261 -4.089 0.845
41 HB3 GLU 10 2HB GLU 10 18.651 -2.942 2.119
42 HG2 GLU 10 1HG GLU 10 18.175 -4.510 3.814
43 HG3 GLU 10 2HG GLU 10 17.399 -5.612 2.677
44 H ARG 11 H ARG 11 14.518 -2.052 0.861
45 HA ARG 11 HA ARG 11 15.780 -0.257 -0.923
46 HB2 ARG 11 1HB ARG 11 13.004 -0.495 0.193
47 HB3 ARG 11 2HB ARG 11 13.452 0.898 -0.783
48 HG2 ARG 11 1HG ARG 11 13.786 -1.942 -1.710
49 HG3 ARG 11 2HG ARG 11 12.340 -0.978 -2.016
50 HD2 ARG 11 1HD ARG 11 13.429 0.442 -3.462
51 HD3 ARG 11 2HD ARG 11 15.006 0.143 -2.733
52 HE ARG 11 HE ARG 11 13.880 -2.147 -4.061
53 HH11 ARG 11 1HH1 ARG 11 15.791 0.739 -4.435
54 HH12 ARG 11 2HH1 ARG 11 16.617 0.166 -5.846
55 HH21 ARG 11 1HH2 ARG 11 14.960 -2.912 -5.918
56 HH22 ARG 11 2HH2 ARG 11 16.143 -1.911 -6.690
57 HA PRO 12 HA PRO 12 16.903 3.166 1.581
58 HB2 PRO 12 1HB PRO 12 16.315 5.263 -0.040
59 HB3 PRO 12 2HB PRO 12 17.678 4.176 -0.332
60 HG2 PRO 12 1HG PRO 12 14.959 4.184 -1.585
61 HG3 PRO 12 2HG PRO 12 16.542 3.954 -2.349
62 HD2 PRO 12 1HD PRO 12 14.896 1.887 -1.756
63 HD3 PRO 12 2HD PRO 12 16.665 1.741 -1.718
64 H PHE 13 H PHE 13 13.668 3.170 0.209
65 HA PHE 13 HA PHE 13 12.747 4.718 2.540
66 HB2 PHE 13 1HB PHE 13 11.828 4.896 -0.329
67 HB3 PHE 13 2HB PHE 13 10.887 5.538 1.013
68 HD1 PHE 13 HD1 PHE 13 14.267 5.733 -0.528
69 HD2 PHE 13 HD2 PHE 13 11.247 7.704 1.732
70 HE1 PHE 13 HE1 PHE 13 15.560 7.824 -0.630
71 HE2 PHE 13 HE2 PHE 13 12.534 9.798 1.633
72 HZ PHE 13 HZ PHE 13 14.693 9.860 0.450
73 H LYS 14 H LYS 14 10.419 4.344 3.049
74 HA LYS 14 HA LYS 14 9.263 1.859 2.127
75 HB2 LYS 14 1HB LYS 14 10.659 0.897 3.781
76 HB3 LYS 14 2HB LYS 14 10.331 2.193 4.923
77 HG2 LYS 14 1HG LYS 14 8.036 0.551 4.013
78 HG3 LYS 14 2HG LYS 14 9.195 -0.188 5.121
79 HD2 LYS 14 1HD LYS 14 8.894 1.992 6.493
80 HD3 LYS 14 2HD LYS 14 7.419 2.187 5.544
81 HE2 LYS 14 1HE LYS 14 6.600 1.029 7.341
82 HE3 LYS 14 2HE LYS 14 7.013 -0.307 6.267
83 HZ1 LYS 14 3HZ LYS 14 9.205 -0.377 7.460
84 HZ2 LYS 14 1HZ LYS 14 7.865 -0.851 8.378
85 HZ3 LYS 14 2HZ LYS 14 8.544 0.682 8.602
86 H CYS 15 H CYS 15 7.068 1.657 2.620
87 HA CYS 15 HA CYS 15 5.780 4.161 3.328
88 HB2 CYS 15 1HB CYS 15 4.941 2.991 1.379
89 HB3 CYS 15 2HB CYS 15 4.667 1.534 2.328
90 H ASN 16 H ASN 16 5.058 4.612 5.294
91 HA ASN 16 HA ASN 16 5.068 2.576 7.348
92 HB2 ASN 16 1HB ASN 16 4.852 5.545 7.274
93 HB3 ASN 16 2HB ASN 16 4.155 4.717 8.663
94 HD21 ASN 16 1HD2 ASN 16 6.908 6.062 7.401
95 HD22 ASN 16 2HD2 ASN 16 8.072 5.349 8.459
96 H GLU 17 H GLU 17 3.047 2.589 5.124
97 HA GLU 17 HA GLU 17 0.607 2.717 6.771
98 HB2 GLU 17 1HB GLU 17 0.628 2.707 3.763
99 HB3 GLU 17 2HB GLU 17 -0.656 3.222 4.848
100 HG2 GLU 17 1HG GLU 17 1.975 4.652 4.701
101 HG3 GLU 17 2HG GLU 17 0.634 5.030 3.622
102 H CYS 18 H CYS 18 1.910 0.960 3.950
103 HA CYS 18 HA CYS 18 0.526 -1.448 4.927
104 HB2 CYS 18 1HB CYS 18 0.637 -2.263 2.600
105 HB3 CYS 18 2HB CYS 18 -0.236 -0.739 2.722
106 H GLY 19 H GLY 19 3.541 -0.298 3.448
107 HA2 GLY 19 1HA GLY 19 5.557 -1.186 4.691
108 HA3 GLY 19 2HA GLY 19 4.847 -2.768 4.404
109 H LYS 20 H LYS 20 4.589 -0.323 1.965
110 HA LYS 20 HA LYS 20 5.994 -1.964 0.082
111 HB2 LYS 20 1HB LYS 20 3.995 -0.518 -0.447
112 HB3 LYS 20 2HB LYS 20 5.052 0.880 -0.300
113 HG2 LYS 20 1HG LYS 20 4.735 0.225 -2.627
114 HG3 LYS 20 2HG LYS 20 6.422 0.065 -2.132
115 HD2 LYS 20 1HD LYS 20 6.225 -2.303 -1.949
116 HD3 LYS 20 2HD LYS 20 4.471 -2.231 -2.133
117 HE2 LYS 20 1HE LYS 20 4.635 -1.645 -4.411
118 HE3 LYS 20 2HE LYS 20 6.351 -1.264 -4.270
119 HZ1 LYS 20 3HZ LYS 20 6.832 -3.587 -3.943
120 HZ2 LYS 20 1HZ LYS 20 5.944 -3.399 -5.371
121 HZ3 LYS 20 2HZ LYS 20 5.187 -3.980 -3.976
122 H GLY 21 H GLY 21 7.730 -1.057 -1.331
123 HA2 GLY 21 1HA GLY 21 9.475 0.851 0.067
124 HA3 GLY 21 2HA GLY 21 10.114 -0.731 -0.357
125 H PHE 22 H PHE 22 10.740 2.104 -1.227
126 HA PHE 22 HA PHE 22 10.802 1.505 -4.097
127 HB2 PHE 22 1HB PHE 22 10.057 4.200 -2.939
128 HB3 PHE 22 2HB PHE 22 10.253 3.832 -4.649
129 HD1 PHE 22 HD2 PHE 22 8.266 2.870 -1.659
130 HD2 PHE 22 HD1 PHE 22 8.436 3.137 -5.904
131 HE1 PHE 22 HE2 PHE 22 5.892 2.238 -1.791
132 HE2 PHE 22 HE1 PHE 22 6.062 2.506 -6.042
133 HZ PHE 22 HZ PHE 22 4.787 2.055 -3.984
134 H GLY 23 H GLY 23 12.400 2.893 -5.266
135 HA2 GLY 23 1HA GLY 23 14.824 3.070 -3.652
136 HA3 GLY 23 2HA GLY 23 14.735 3.117 -5.407
137 H ARG 24 H ARG 24 12.712 5.164 -5.537
138 HA ARG 24 HA ARG 24 14.388 7.466 -4.811
139 HB2 ARG 24 1HB ARG 24 12.219 7.196 -6.900
140 HB3 ARG 24 2HB ARG 24 13.088 8.684 -6.547
141 HG2 ARG 24 1HG ARG 24 14.271 7.932 -8.344
142 HG3 ARG 24 2HG ARG 24 15.193 7.194 -7.033
143 HD2 ARG 24 1HD ARG 24 13.438 5.240 -7.411
144 HD3 ARG 24 2HD ARG 24 13.376 5.947 -9.025
145 HE ARG 24 HE ARG 24 15.574 4.497 -7.838
146 HH11 ARG 24 1HH1 ARG 24 14.565 6.702 -10.336
147 HH12 ARG 24 2HH1 ARG 24 15.903 6.343 -11.375
148 HH21 ARG 24 1HH2 ARG 24 17.341 4.015 -9.198
149 HH22 ARG 24 2HH2 ARG 24 17.481 4.814 -10.727
150 H ARG 25 H ARG 25 13.495 9.282 -3.816
151 HA ARG 25 HA ARG 25 11.533 8.807 -1.874
152 HB2 ARG 25 1HB ARG 25 13.365 10.601 -1.910
153 HB3 ARG 25 2HB ARG 25 12.254 11.547 -2.892
154 HG2 ARG 25 1HG ARG 25 11.856 10.604 -0.066
155 HG3 ARG 25 2HG ARG 25 12.025 12.264 -0.640
156 HD2 ARG 25 1HD ARG 25 9.924 11.687 -2.070
157 HD3 ARG 25 2HD ARG 25 9.707 10.394 -0.890
158 HE ARG 25 HE ARG 25 9.162 11.967 0.707
159 HH11 ARG 25 1HH1 ARG 25 10.356 13.534 -2.163
160 HH12 ARG 25 2HH1 ARG 25 9.865 15.118 -1.661
161 HH21 ARG 25 1HH2 ARG 25 8.511 14.047 1.380
162 HH22 ARG 25 2HH2 ARG 25 8.816 15.409 0.355
163 H SER 26 H SER 26 11.340 10.755 -4.853
164 HA SER 26 HA SER 26 8.633 11.434 -4.623
165 HB2 SER 26 1HB SER 26 10.024 12.636 -6.171
166 HB3 SER 26 2HB SER 26 10.404 11.161 -7.059
167 HG SER 26 HG SER 26 7.952 12.562 -6.940
168 H HIS 27 H HIS 27 10.198 8.544 -5.769
169 HA HIS 27 HA HIS 27 8.060 7.433 -7.227
170 HB2 HIS 27 1HB HIS 27 10.515 6.337 -5.916
171 HB3 HIS 27 2HB HIS 27 9.280 5.216 -6.483
172 HD1 HIS 27 HD1 HIS 27 10.845 4.291 -8.316
173 HD2 HIS 27 HD2 HIS 27 10.061 8.357 -8.649
174 HE1 HIS 27 HE1 HIS 27 11.652 4.946 -10.606
175 H LEU 28 H LEU 28 8.988 7.149 -3.818
176 HA LEU 28 HA LEU 28 6.814 5.388 -3.183
177 HB2 LEU 28 1HB LEU 28 8.624 5.094 -1.779
178 HB3 LEU 28 2HB LEU 28 8.920 6.825 -1.631
179 HG LEU 28 HG LEU 28 6.767 6.911 -0.269
180 HD11 LEU 28 1HD1 LEU 28 7.118 4.130 0.543
181 HD12 LEU 28 2HD1 LEU 28 6.494 4.317 -1.095
182 HD13 LEU 28 3HD1 LEU 28 5.643 5.055 0.262
183 HD21 LEU 28 3HD2 LEU 28 8.699 5.230 1.207
184 HD22 LEU 28 1HD2 LEU 28 8.005 6.797 1.621
185 HD23 LEU 28 2HD2 LEU 28 9.333 6.699 0.464
186 H ALA 29 H ALA 29 7.512 8.826 -2.647
187 HA ALA 29 HA ALA 29 5.456 9.655 -1.101
188 HB1 ALA 29 3HB ALA 29 6.407 11.586 -1.641
189 HB2 ALA 29 1HB ALA 29 7.146 10.871 -3.074
190 HB3 ALA 29 2HB ALA 29 5.522 11.554 -3.166
191 H GLY 30 H GLY 30 5.255 8.836 -4.536
192 HA2 GLY 30 1HA GLY 30 2.546 9.643 -4.863
193 HA3 GLY 30 2HA GLY 30 3.450 8.590 -5.941
194 H HIS 31 H HIS 31 4.072 6.639 -3.876
195 HA HIS 31 HA HIS 31 1.857 4.939 -4.179
196 HB2 HIS 31 1HB HIS 31 4.026 3.979 -3.836
197 HB3 HIS 31 2HB HIS 31 4.221 4.822 -2.302
198 HD1 HIS 31 HD1 HIS 31 2.356 1.948 -3.860
199 HD2 HIS 31 HD2 HIS 31 3.133 3.547 -0.105
200 HE1 HIS 31 HE1 HIS 31 1.533 0.233 -2.215
201 H LEU 32 H LEU 32 2.478 7.441 -1.937
202 HA LEU 32 HA LEU 32 0.592 6.412 0.033
203 HB2 LEU 32 1HB LEU 32 2.190 8.968 -0.018
204 HB3 LEU 32 2HB LEU 32 1.186 8.417 1.322
205 HG LEU 32 HG LEU 32 3.207 7.745 2.101
206 HD11 LEU 32 1HD1 LEU 32 1.981 5.708 1.959
207 HD12 LEU 32 2HD1 LEU 32 3.645 5.360 1.494
208 HD13 LEU 32 3HD1 LEU 32 2.397 5.506 0.257
209 HD21 LEU 32 3HD2 LEU 32 4.568 6.700 -0.215
210 HD22 LEU 32 1HD2 LEU 32 5.067 7.966 0.907
211 HD23 LEU 32 2HD2 LEU 32 4.056 8.367 -0.481
212 H ARG 33 H ARG 33 0.711 8.586 -2.633
213 HA ARG 33 HA ARG 33 -1.323 10.382 -2.010
214 HB2 ARG 33 1HB ARG 33 -0.290 9.263 -4.596
215 HB3 ARG 33 2HB ARG 33 -1.680 10.339 -4.588
216 HG2 ARG 33 1HG ARG 33 -0.352 12.070 -3.507
217 HG3 ARG 33 2HG ARG 33 1.043 10.989 -3.479
218 HD2 ARG 33 1HD ARG 33 1.435 12.293 -5.357
219 HD3 ARG 33 2HD ARG 33 0.692 10.843 -6.031
220 HE ARG 33 HE ARG 33 -0.448 13.506 -5.928
221 HH11 ARG 33 1HH1 ARG 33 -0.986 10.106 -6.453
222 HH12 ARG 33 2HH1 ARG 33 -2.445 10.343 -7.356
223 HH21 ARG 33 1HH2 ARG 33 -2.368 13.831 -7.116
224 HH22 ARG 33 2HH2 ARG 33 -3.230 12.462 -7.734
225 H LEU 34 H LEU 34 -1.474 7.042 -2.970
226 HA LEU 34 HA LEU 34 -4.306 7.119 -3.551
227 HB2 LEU 34 1HB LEU 34 -4.069 4.676 -3.810
228 HB3 LEU 34 2HB LEU 34 -2.952 5.598 -4.813
229 HG LEU 34 HG LEU 34 -1.265 5.149 -2.881
230 HD11 LEU 34 1HD1 LEU 34 -2.380 4.135 -1.178
231 HD12 LEU 34 2HD1 LEU 34 -1.885 2.702 -2.079
232 HD13 LEU 34 3HD1 LEU 34 -3.524 3.330 -2.253
233 HD21 LEU 34 3HD2 LEU 34 -1.775 3.979 -5.323
234 HD22 LEU 34 1HD2 LEU 34 -1.681 2.603 -4.223
235 HD23 LEU 34 2HD2 LEU 34 -0.334 3.736 -4.334
236 H HIS 35 H HIS 35 -2.294 6.646 -0.814
237 HA HIS 35 HA HIS 35 -4.132 5.087 0.729
238 HB2 HIS 35 1HB HIS 35 -1.553 6.486 1.237
239 HB3 HIS 35 2HB HIS 35 -2.571 6.126 2.628
240 HD1 HIS 35 HD1 HIS 35 -3.422 3.424 2.528
241 HD2 HIS 35 HD2 HIS 35 0.178 4.484 0.746
242 HE1 HIS 35 HE1 HIS 35 -2.112 1.286 2.335
243 H SER 36 H SER 36 -3.768 8.433 0.008
244 HA SER 36 HA SER 36 -5.283 9.349 2.295
245 HB2 SER 36 1HB SER 36 -3.959 10.652 -0.048
246 HB3 SER 36 2HB SER 36 -5.220 11.538 0.810
247 HG SER 36 HG SER 36 -3.286 10.314 2.378
248 H ARG 37 H ARG 37 -5.781 9.204 -1.227
249 HA ARG 37 HA ARG 37 -8.243 10.261 -1.538
250 HB2 ARG 37 1HB ARG 37 -8.402 9.110 -3.518
251 HB3 ARG 37 2HB ARG 37 -6.688 8.905 -3.184
252 HG2 ARG 37 1HG ARG 37 -7.358 6.710 -2.055
253 HG3 ARG 37 2HG ARG 37 -8.906 6.917 -2.878
254 HD2 ARG 37 1HD ARG 37 -7.494 7.227 -5.004
255 HD3 ARG 37 2HD ARG 37 -6.178 6.527 -4.063
256 HE ARG 37 HE ARG 37 -8.145 4.729 -3.723
257 HH11 ARG 37 1HH1 ARG 37 -6.841 6.265 -6.562
258 HH12 ARG 37 2HH1 ARG 37 -7.180 4.923 -7.603
259 HH21 ARG 37 1HH2 ARG 37 -8.596 2.955 -5.084
260 HH22 ARG 37 2HH2 ARG 37 -8.179 3.040 -6.761
261 H GLU 38 H GLU 38 -7.533 7.081 -0.179
262 HA GLU 38 HA GLU 38 -10.359 6.879 0.631
263 HB2 GLU 38 1HB GLU 38 -9.348 5.162 -1.056
264 HB3 GLU 38 2HB GLU 38 -8.584 4.478 0.372
265 HG2 GLU 38 1HG GLU 38 -10.912 4.389 1.384
266 HG3 GLU 38 2HG GLU 38 -11.509 4.712 -0.242
267 H LYS 39 H LYS 39 -9.143 8.303 2.360
268 HA LYS 39 HA LYS 39 -8.171 6.498 4.478
269 HB2 LYS 39 1HB LYS 39 -6.806 8.227 5.325
270 HB3 LYS 39 2HB LYS 39 -6.572 8.265 3.582
271 HG2 LYS 39 1HG LYS 39 -7.558 10.288 3.353
272 HG3 LYS 39 2HG LYS 39 -8.691 10.011 4.678
273 HD2 LYS 39 1HD LYS 39 -6.467 10.110 6.113
274 HD3 LYS 39 2HD LYS 39 -5.909 11.064 4.736
275 HE2 LYS 39 1HE LYS 39 -8.540 11.668 6.027
276 HE3 LYS 39 2HE LYS 39 -7.042 12.252 6.751
277 HZ1 LYS 39 3HZ LYS 39 -8.427 13.541 4.840
278 HZ2 LYS 39 1HZ LYS 39 -7.256 12.742 3.917
279 HZ3 LYS 39 2HZ LYS 39 -6.785 13.784 5.163
280 H SER 40 H SER 40 -10.427 8.991 3.602
281 HA SER 40 HA SER 40 -11.333 9.990 5.963
282 HB2 SER 40 1HB SER 40 -12.262 10.595 3.754
283 HB3 SER 40 2HB SER 40 -13.094 9.042 3.688
284 HG SER 40 HG SER 40 -14.083 11.191 4.648
285 H SER 41 H SER 41 -12.619 7.019 4.460
286 HA SER 41 HA SER 41 -14.155 6.275 6.717
287 HB2 SER 41 1HB SER 41 -13.126 4.500 4.491
288 HB3 SER 41 2HB SER 41 -14.469 4.144 5.577
289 HG SER 41 HG SER 41 -14.320 5.993 3.468
290 H GLY 42 H GLY 42 -10.927 5.362 5.590
291 HA2 GLY 42 1HA GLY 42 -9.360 3.939 6.560
292 HA3 GLY 42 2HA GLY 42 -9.611 5.055 7.894
293 HA PRO 43 HA PRO 43 -12.416 1.196 8.750
294 HB2 PRO 43 1HB PRO 43 -11.946 -0.985 7.202
295 HB3 PRO 43 2HB PRO 43 -13.137 0.252 6.783
296 HG2 PRO 43 1HG PRO 43 -10.341 -0.103 5.776
297 HG3 PRO 43 2HG PRO 43 -11.812 0.302 4.873
298 HD2 PRO 43 1HD PRO 43 -9.987 2.167 5.595
299 HD3 PRO 43 2HD PRO 43 -11.722 2.524 5.476
300 H SER 44 H SER 44 -11.932 -0.433 10.216
301 HA SER 44 HA SER 44 -10.568 -1.363 11.810
302 HB2 SER 44 1HB SER 44 -9.340 -2.432 9.259
303 HB3 SER 44 2HB SER 44 -9.035 -3.089 10.866
304 HG SER 44 HG SER 44 -10.890 -4.074 10.793
305 H SER 45 H SER 45 -9.810 1.268 11.300
306 HA SER 45 HA SER 45 -7.331 1.982 10.587
307 HB2 SER 45 1HB SER 45 -8.558 2.773 13.240
308 HB3 SER 45 2HB SER 45 -7.337 3.675 12.343
309 HG SER 45 HG SER 45 -9.987 3.770 12.088
310 H GLY 46 H GLY 46 -5.550 0.760 10.761
311 HA2 GLY 46 1HA GLY 46 -4.739 -0.056 13.480
312 HA3 GLY 46 2HA GLY 46 -4.572 -1.150 12.115
Start of MODEL 17
1 H1 GLY 1 H GLY 1 7.472 -18.665 -11.882
2 HA2 GLY 1 1HA GLY 1 7.812 -16.850 -13.416
3 HA3 GLY 1 2HA GLY 1 6.749 -15.863 -12.423
4 H SER 2 H SER 2 9.973 -17.066 -12.864
5 HA SER 2 HA SER 2 11.967 -16.581 -11.864
6 HB2 SER 2 1HB SER 2 10.479 -13.972 -11.826
7 HB3 SER 2 2HB SER 2 12.095 -14.083 -11.130
8 HG SER 2 HG SER 2 12.754 -14.961 -13.203
9 H SER 3 H SER 3 10.248 -17.937 -10.164
10 HA SER 3 HA SER 3 9.982 -16.683 -7.628
11 HB2 SER 3 1HB SER 3 9.894 -19.578 -8.488
12 HB3 SER 3 2HB SER 3 9.620 -19.064 -6.823
13 HG SER 3 HG SER 3 7.645 -19.200 -7.858
14 H GLY 4 H GLY 4 10.993 -17.880 -5.640
15 HA2 GLY 4 1HA GLY 4 13.421 -19.145 -5.630
16 HA3 GLY 4 2HA GLY 4 13.823 -17.445 -5.818
17 H SER 5 H SER 5 13.756 -16.113 -4.077
18 HA SER 5 HA SER 5 13.424 -17.393 -1.491
19 HB2 SER 5 1HB SER 5 14.537 -15.495 -0.569
20 HB3 SER 5 2HB SER 5 15.373 -15.871 -2.075
21 HG SER 5 HG SER 5 13.358 -13.895 -1.761
22 H SER 6 H SER 6 12.480 -15.774 0.251
23 HA SER 6 HA SER 6 9.956 -14.669 -0.785
24 HB2 SER 6 1HB SER 6 10.344 -16.454 1.623
25 HB3 SER 6 2HB SER 6 8.880 -15.510 1.346
26 HG SER 6 HG SER 6 8.601 -16.645 -0.608
27 H GLY 7 H GLY 7 9.500 -12.665 -0.115
28 HA2 GLY 7 1HA GLY 7 9.821 -10.617 0.883
29 HA3 GLY 7 2HA GLY 7 9.866 -11.551 2.371
30 H SER 8 H SER 8 12.035 -10.980 -0.405
31 HA SER 8 HA SER 8 14.149 -10.281 1.518
32 HB2 SER 8 1HB SER 8 14.541 -12.580 0.741
33 HB3 SER 8 2HB SER 8 14.491 -12.027 -0.933
34 HG SER 8 HG SER 8 16.442 -11.561 1.039
35 H GLY 9 H GLY 9 14.397 -8.156 1.183
36 HA2 GLY 9 1HA GLY 9 15.620 -7.170 -1.139
37 HA3 GLY 9 2HA GLY 9 13.903 -6.812 -1.240
38 H GLU 10 H GLU 10 16.652 -5.365 -0.596
39 HA GLU 10 HA GLU 10 15.619 -3.825 1.691
40 HB2 GLU 10 1HB GLU 10 18.449 -4.145 0.678
41 HB3 GLU 10 2HB GLU 10 17.977 -3.060 1.979
42 HG2 GLU 10 1HG GLU 10 18.713 -4.882 3.151
43 HG3 GLU 10 2HG GLU 10 16.985 -5.211 3.049
44 H ARG 11 H ARG 11 14.756 -1.932 1.194
45 HA ARG 11 HA ARG 11 15.722 -0.527 -1.208
46 HB2 ARG 11 1HB ARG 11 13.009 -0.836 -0.007
47 HB3 ARG 11 2HB ARG 11 13.381 0.665 -0.843
48 HG2 ARG 11 1HG ARG 11 12.420 -0.639 -2.494
49 HG3 ARG 11 2HG ARG 11 14.149 -0.852 -2.775
50 HD2 ARG 11 1HD ARG 11 14.036 -2.943 -1.418
51 HD3 ARG 11 2HD ARG 11 12.285 -2.748 -1.357
52 HE ARG 11 HE ARG 11 13.415 -2.768 -4.015
53 HH11 ARG 11 1HH1 ARG 11 12.043 -4.653 -1.430
54 HH12 ARG 11 2HH1 ARG 11 11.565 -5.960 -2.462
55 HH21 ARG 11 1HH2 ARG 11 12.790 -4.482 -5.384
56 HH22 ARG 11 2HH2 ARG 11 11.991 -5.862 -4.711
57 HA PRO 12 HA PRO 12 16.978 2.935 1.175
58 HB2 PRO 12 1HB PRO 12 16.236 5.023 -0.394
59 HB3 PRO 12 2HB PRO 12 17.582 3.951 -0.795
60 HG2 PRO 12 1HG PRO 12 14.771 3.927 -1.823
61 HG3 PRO 12 2HG PRO 12 16.289 3.714 -2.713
62 HD2 PRO 12 1HD PRO 12 14.721 1.629 -1.987
63 HD3 PRO 12 2HD PRO 12 16.488 1.503 -2.093
64 H PHE 13 H PHE 13 13.677 3.202 -0.107
65 HA PHE 13 HA PHE 13 12.915 4.611 2.367
66 HB2 PHE 13 1HB PHE 13 11.780 4.853 -0.423
67 HB3 PHE 13 2HB PHE 13 11.002 5.532 1.002
68 HD1 PHE 13 HD1 PHE 13 14.276 5.551 -0.776
69 HD2 PHE 13 HD2 PHE 13 11.480 7.701 1.606
70 HE1 PHE 13 HE1 PHE 13 15.649 7.580 -1.002
71 HE2 PHE 13 HE2 PHE 13 12.848 9.734 1.384
72 HZ PHE 13 HZ PHE 13 14.935 9.676 0.077
73 H LYS 14 H LYS 14 10.573 4.289 2.954
74 HA LYS 14 HA LYS 14 9.373 1.802 2.084
75 HB2 LYS 14 1HB LYS 14 10.855 0.911 3.740
76 HB3 LYS 14 2HB LYS 14 10.433 2.177 4.885
77 HG2 LYS 14 1HG LYS 14 9.278 0.319 5.659
78 HG3 LYS 14 2HG LYS 14 8.056 1.225 4.764
79 HD2 LYS 14 1HD LYS 14 7.946 -0.319 3.083
80 HD3 LYS 14 2HD LYS 14 9.626 -0.820 3.287
81 HE2 LYS 14 1HE LYS 14 8.811 -1.773 5.551
82 HE3 LYS 14 2HE LYS 14 7.202 -1.644 4.842
83 HZ1 LYS 14 3HZ LYS 14 7.773 -3.747 4.220
84 HZ2 LYS 14 1HZ LYS 14 9.426 -3.402 4.100
85 HZ3 LYS 14 2HZ LYS 14 8.366 -2.898 2.882
86 H CYS 15 H CYS 15 7.194 1.571 2.739
87 HA CYS 15 HA CYS 15 5.967 4.109 3.534
88 HB2 CYS 15 1HB CYS 15 5.048 3.309 1.502
89 HB3 CYS 15 2HB CYS 15 4.912 1.666 2.119
90 H ASN 16 H ASN 16 4.722 4.334 5.327
91 HA ASN 16 HA ASN 16 4.860 2.184 7.285
92 HB2 ASN 16 1HB ASN 16 4.324 5.121 7.390
93 HB3 ASN 16 2HB ASN 16 3.699 4.109 8.689
94 HD21 ASN 16 1HD2 ASN 16 4.973 4.132 10.379
95 HD22 ASN 16 2HD2 ASN 16 6.700 4.163 10.359
96 H GLU 17 H GLU 17 2.594 3.665 5.159
97 HA GLU 17 HA GLU 17 0.185 3.131 6.482
98 HB2 GLU 17 1HB GLU 17 0.600 3.020 3.494
99 HB3 GLU 17 2HB GLU 17 -0.887 3.395 4.354
100 HG2 GLU 17 1HG GLU 17 1.579 5.094 4.561
101 HG3 GLU 17 2HG GLU 17 0.345 5.341 3.326
102 H CYS 18 H CYS 18 1.762 1.212 3.919
103 HA CYS 18 HA CYS 18 0.356 -1.156 4.968
104 HB2 CYS 18 1HB CYS 18 0.405 -2.084 2.716
105 HB3 CYS 18 2HB CYS 18 -0.374 -0.505 2.699
106 H GLY 19 H GLY 19 3.350 -0.021 3.433
107 HA2 GLY 19 1HA GLY 19 5.381 -0.801 4.725
108 HA3 GLY 19 2HA GLY 19 4.706 -2.410 4.518
109 H LYS 20 H LYS 20 4.365 -0.136 1.941
110 HA LYS 20 HA LYS 20 5.954 -1.819 0.214
111 HB2 LYS 20 1HB LYS 20 3.843 -0.897 -0.599
112 HB3 LYS 20 2HB LYS 20 4.440 0.738 -0.346
113 HG2 LYS 20 1HG LYS 20 4.566 0.199 -2.679
114 HG3 LYS 20 2HG LYS 20 6.202 0.316 -2.024
115 HD2 LYS 20 1HD LYS 20 6.194 -1.603 -3.400
116 HD3 LYS 20 2HD LYS 20 6.120 -2.202 -1.741
117 HE2 LYS 20 1HE LYS 20 3.548 -2.153 -2.124
118 HE3 LYS 20 2HE LYS 20 3.981 -2.134 -3.833
119 HZ1 LYS 20 3HZ LYS 20 3.809 -4.338 -2.181
120 HZ2 LYS 20 1HZ LYS 20 5.463 -4.116 -2.456
121 HZ3 LYS 20 2HZ LYS 20 4.405 -4.294 -3.763
122 H GLY 21 H GLY 21 7.881 -1.318 -0.758
123 HA2 GLY 21 1HA GLY 21 9.194 1.154 0.195
124 HA3 GLY 21 2HA GLY 21 10.040 -0.375 0.008
125 H PHE 22 H PHE 22 10.596 2.240 -1.199
126 HA PHE 22 HA PHE 22 10.603 1.361 -3.999
127 HB2 PHE 22 1HB PHE 22 9.952 4.165 -3.065
128 HB3 PHE 22 2HB PHE 22 10.147 3.667 -4.743
129 HD1 PHE 22 HD2 PHE 22 8.109 3.028 -1.705
130 HD2 PHE 22 HD1 PHE 22 8.327 2.886 -5.953
131 HE1 PHE 22 HE2 PHE 22 5.719 2.454 -1.805
132 HE2 PHE 22 HE1 PHE 22 5.937 2.313 -6.060
133 HZ PHE 22 HZ PHE 22 4.629 2.094 -3.985
134 H GLY 23 H GLY 23 12.177 2.736 -5.317
135 HA2 GLY 23 1HA GLY 23 14.690 2.785 -3.859
136 HA3 GLY 23 2HA GLY 23 14.487 2.943 -5.597
137 H ARG 24 H ARG 24 12.760 5.068 -5.784
138 HA ARG 24 HA ARG 24 14.485 7.250 -4.871
139 HB2 ARG 24 1HB ARG 24 12.383 7.073 -7.027
140 HB3 ARG 24 2HB ARG 24 13.113 8.595 -6.535
141 HG2 ARG 24 1HG ARG 24 15.252 7.920 -7.286
142 HG3 ARG 24 2HG ARG 24 14.726 6.248 -7.490
143 HD2 ARG 24 1HD ARG 24 13.434 6.768 -9.377
144 HD3 ARG 24 2HD ARG 24 13.457 8.495 -9.021
145 HE ARG 24 HE ARG 24 15.382 7.042 -10.522
146 HH11 ARG 24 1HH1 ARG 24 15.025 9.698 -8.301
147 HH12 ARG 24 2HH1 ARG 24 16.430 10.535 -8.872
148 HH21 ARG 24 1HH2 ARG 24 17.234 8.134 -11.283
149 HH22 ARG 24 2HH2 ARG 24 17.686 9.645 -10.569
150 H ARG 25 H ARG 25 13.509 9.236 -4.084
151 HA ARG 25 HA ARG 25 11.649 8.765 -2.013
152 HB2 ARG 25 1HB ARG 25 13.467 10.608 -2.249
153 HB3 ARG 25 2HB ARG 25 12.216 11.504 -3.101
154 HG2 ARG 25 1HG ARG 25 12.057 10.471 -0.277
155 HG3 ARG 25 2HG ARG 25 12.296 12.149 -0.770
156 HD2 ARG 25 1HD ARG 25 10.084 11.880 -2.043
157 HD3 ARG 25 2HD ARG 25 9.853 10.430 -1.066
158 HE ARG 25 HE ARG 25 10.341 12.228 0.825
159 HH11 ARG 25 1HH1 ARG 25 8.292 12.416 -1.983
160 HH12 ARG 25 2HH1 ARG 25 7.165 13.508 -1.249
161 HH21 ARG 25 1HH2 ARG 25 8.865 13.665 1.803
162 HH22 ARG 25 2HH2 ARG 25 7.492 14.219 0.904
163 H SER 26 H SER 26 11.299 10.899 -4.854
164 HA SER 26 HA SER 26 8.605 11.433 -4.607
165 HB2 SER 26 1HB SER 26 8.638 11.856 -7.072
166 HB3 SER 26 2HB SER 26 9.969 12.628 -6.210
167 HG SER 26 HG SER 26 11.328 11.447 -7.291
168 H HIS 27 H HIS 27 10.174 8.565 -5.811
169 HA HIS 27 HA HIS 27 8.023 7.407 -7.194
170 HB2 HIS 27 1HB HIS 27 10.514 6.367 -5.915
171 HB3 HIS 27 2HB HIS 27 9.278 5.212 -6.408
172 HD1 HIS 27 HD1 HIS 27 11.571 4.650 -7.958
173 HD2 HIS 27 HD2 HIS 27 9.179 7.883 -8.997
174 HE1 HIS 27 HE1 HIS 27 12.107 5.135 -10.366
175 H LEU 28 H LEU 28 8.968 7.249 -3.789
176 HA LEU 28 HA LEU 28 6.829 5.456 -3.096
177 HB2 LEU 28 1HB LEU 28 8.680 5.225 -1.719
178 HB3 LEU 28 2HB LEU 28 8.916 6.966 -1.580
179 HG LEU 28 HG LEU 28 6.794 7.004 -0.192
180 HD11 LEU 28 1HD1 LEU 28 7.026 4.324 0.754
181 HD12 LEU 28 2HD1 LEU 28 6.726 4.298 -0.984
182 HD13 LEU 28 3HD1 LEU 28 5.616 5.150 0.089
183 HD21 LEU 28 3HD2 LEU 28 8.712 5.316 1.279
184 HD22 LEU 28 1HD2 LEU 28 8.057 6.905 1.673
185 HD23 LEU 28 2HD2 LEU 28 9.379 6.759 0.515
186 H ALA 29 H ALA 29 7.525 8.893 -2.484
187 HA ALA 29 HA ALA 29 5.456 9.722 -0.990
188 HB1 ALA 29 3HB ALA 29 5.706 11.461 -3.309
189 HB2 ALA 29 1HB ALA 29 6.072 11.773 -1.612
190 HB3 ALA 29 2HB ALA 29 7.265 10.978 -2.639
191 H GLY 30 H GLY 30 5.260 8.971 -4.450
192 HA2 GLY 30 1HA GLY 30 2.543 9.731 -4.759
193 HA3 GLY 30 2HA GLY 30 3.455 8.695 -5.846
194 H HIS 31 H HIS 31 4.100 6.701 -3.869
195 HA HIS 31 HA HIS 31 1.911 4.990 -4.166
196 HB2 HIS 31 1HB HIS 31 4.086 4.056 -3.805
197 HB3 HIS 31 2HB HIS 31 4.258 4.897 -2.267
198 HD1 HIS 31 HD1 HIS 31 2.310 2.068 -3.843
199 HD2 HIS 31 HD2 HIS 31 3.302 3.538 -0.086
200 HE1 HIS 31 HE1 HIS 31 1.530 0.321 -2.210
201 H LEU 32 H LEU 32 2.515 7.456 -1.860
202 HA LEU 32 HA LEU 32 0.589 6.399 0.053
203 HB2 LEU 32 1HB LEU 32 2.209 8.941 0.078
204 HB3 LEU 32 2HB LEU 32 1.170 8.383 1.388
205 HG LEU 32 HG LEU 32 3.169 7.679 2.197
206 HD11 LEU 32 1HD1 LEU 32 1.830 5.673 1.911
207 HD12 LEU 32 2HD1 LEU 32 3.542 5.309 1.699
208 HD13 LEU 32 3HD1 LEU 32 2.489 5.444 0.291
209 HD21 LEU 32 3HD2 LEU 32 5.104 7.662 1.051
210 HD22 LEU 32 1HD2 LEU 32 4.150 8.456 -0.202
211 HD23 LEU 32 2HD2 LEU 32 4.432 6.716 -0.278
212 H ARG 33 H ARG 33 0.815 8.743 -2.493
213 HA ARG 33 HA ARG 33 -1.286 10.453 -1.847
214 HB2 ARG 33 1HB ARG 33 -0.224 9.527 -4.514
215 HB3 ARG 33 2HB ARG 33 -1.478 10.750 -4.365
216 HG2 ARG 33 1HG ARG 33 0.046 12.154 -3.066
217 HG3 ARG 33 2HG ARG 33 1.305 10.928 -3.231
218 HD2 ARG 33 1HD ARG 33 0.792 11.212 -5.792
219 HD3 ARG 33 2HD ARG 33 0.168 12.777 -5.274
220 HE ARG 33 HE ARG 33 2.910 11.992 -5.450
221 HH11 ARG 33 1HH1 ARG 33 0.668 14.042 -3.750
222 HH12 ARG 33 2HH1 ARG 33 1.871 15.205 -3.300
223 HH21 ARG 33 1HH2 ARG 33 4.503 13.516 -4.864
224 HH22 ARG 33 2HH2 ARG 33 4.052 14.905 -3.935
225 H LEU 34 H LEU 34 -1.311 7.223 -3.182
226 HA LEU 34 HA LEU 34 -4.094 7.288 -3.909
227 HB2 LEU 34 1HB LEU 34 -3.826 4.953 -4.433
228 HB3 LEU 34 2HB LEU 34 -2.470 5.871 -5.085
229 HG LEU 34 HG LEU 34 -1.258 5.111 -2.908
230 HD11 LEU 34 1HD1 LEU 34 -2.590 3.929 -1.555
231 HD12 LEU 34 2HD1 LEU 34 -2.295 2.600 -2.677
232 HD13 LEU 34 3HD1 LEU 34 -3.751 3.584 -2.837
233 HD21 LEU 34 3HD2 LEU 34 -1.857 3.251 -5.205
234 HD22 LEU 34 1HD2 LEU 34 -0.538 3.043 -4.053
235 HD23 LEU 34 2HD2 LEU 34 -0.562 4.446 -5.121
236 H HIS 35 H HIS 35 -2.232 6.462 -1.100
237 HA HIS 35 HA HIS 35 -4.100 4.819 0.219
238 HB2 HIS 35 1HB HIS 35 -1.717 6.406 1.021
239 HB3 HIS 35 2HB HIS 35 -2.829 5.927 2.300
240 HD1 HIS 35 HD1 HIS 35 -3.487 3.148 1.919
241 HD2 HIS 35 HD2 HIS 35 0.248 4.583 0.799
242 HE1 HIS 35 HE1 HIS 35 -1.986 1.131 1.844
243 H SER 36 H SER 36 -3.690 8.315 0.092
244 HA SER 36 HA SER 36 -5.777 8.790 2.034
245 HB2 SER 36 1HB SER 36 -4.413 10.779 0.206
246 HB3 SER 36 2HB SER 36 -5.342 11.143 1.660
247 HG SER 36 HG SER 36 -3.105 9.445 1.806
248 H ARG 37 H ARG 37 -6.648 7.236 -0.147
249 HA ARG 37 HA ARG 37 -8.285 9.067 -1.746
250 HB2 ARG 37 1HB ARG 37 -6.895 7.097 -2.714
251 HB3 ARG 37 2HB ARG 37 -8.201 6.088 -2.108
252 HG2 ARG 37 1HG ARG 37 -9.800 7.333 -3.470
253 HG3 ARG 37 2HG ARG 37 -8.491 8.349 -4.076
254 HD2 ARG 37 1HD ARG 37 -7.428 6.048 -4.738
255 HD3 ARG 37 2HD ARG 37 -9.095 5.483 -4.645
256 HE ARG 37 HE ARG 37 -9.582 6.676 -6.551
257 HH11 ARG 37 1HH1 ARG 37 -6.440 7.586 -5.360
258 HH12 ARG 37 2HH1 ARG 37 -6.020 8.488 -6.778
259 HH21 ARG 37 1HH2 ARG 37 -9.041 7.861 -8.423
260 HH22 ARG 37 2HH2 ARG 37 -7.500 8.645 -8.520
261 H GLU 38 H GLU 38 -8.575 6.246 0.385
262 HA GLU 38 HA GLU 38 -11.440 6.866 0.683
263 HB2 GLU 38 1HB GLU 38 -10.029 4.219 1.062
264 HB3 GLU 38 2HB GLU 38 -11.743 4.504 1.329
265 HG2 GLU 38 1HG GLU 38 -11.680 3.542 -0.772
266 HG3 GLU 38 2HG GLU 38 -11.792 5.266 -1.120
267 H LYS 39 H LYS 39 -9.670 8.340 2.158
268 HA LYS 39 HA LYS 39 -8.911 7.344 4.643
269 HB2 LYS 39 1HB LYS 39 -9.579 10.074 3.614
270 HB3 LYS 39 2HB LYS 39 -9.322 9.847 5.339
271 HG2 LYS 39 1HG LYS 39 -7.322 8.942 3.294
272 HG3 LYS 39 2HG LYS 39 -7.326 10.578 3.957
273 HD2 LYS 39 1HD LYS 39 -7.258 8.121 5.694
274 HD3 LYS 39 2HD LYS 39 -5.794 8.899 5.088
275 HE2 LYS 39 1HE LYS 39 -6.742 11.048 6.105
276 HE3 LYS 39 2HE LYS 39 -7.866 9.997 6.965
277 HZ1 LYS 39 3HZ LYS 39 -6.106 8.950 8.093
278 HZ2 LYS 39 1HZ LYS 39 -5.764 10.605 8.176
279 HZ3 LYS 39 2HZ LYS 39 -4.930 9.622 7.080
280 H SER 40 H SER 40 -9.908 8.249 6.762
281 HA SER 40 HA SER 40 -12.274 6.942 7.286
282 HB2 SER 40 1HB SER 40 -10.742 7.718 9.045
283 HB3 SER 40 2HB SER 40 -11.195 9.389 8.708
284 HG SER 40 HG SER 40 -12.593 8.952 10.249
285 H SER 41 H SER 41 -14.413 7.425 7.234
286 HA SER 41 HA SER 41 -15.393 9.252 5.388
287 HB2 SER 41 1HB SER 41 -16.860 8.103 7.775
288 HB3 SER 41 2HB SER 41 -17.607 8.799 6.337
289 HG SER 41 HG SER 41 -16.499 7.122 5.137
290 H GLY 42 H GLY 42 -15.123 9.551 8.914
291 HA2 GLY 42 1HA GLY 42 -15.171 12.460 8.611
292 HA3 GLY 42 2HA GLY 42 -16.396 11.740 9.645
293 HA PRO 43 HA PRO 43 -12.054 12.224 11.708
294 HB2 PRO 43 1HB PRO 43 -12.100 14.808 12.537
295 HB3 PRO 43 2HB PRO 43 -11.401 14.307 10.993
296 HG2 PRO 43 1HG PRO 43 -14.093 15.488 11.559
297 HG3 PRO 43 2HG PRO 43 -12.961 15.862 10.246
298 HD2 PRO 43 1HD PRO 43 -15.116 14.260 9.899
299 HD3 PRO 43 2HD PRO 43 -13.601 14.030 9.003
300 H SER 44 H SER 44 -13.034 10.880 13.251
301 HA SER 44 HA SER 44 -14.578 12.266 15.343
302 HB2 SER 44 1HB SER 44 -15.896 10.507 14.360
303 HB3 SER 44 2HB SER 44 -14.570 9.355 14.518
304 HG SER 44 HG SER 44 -16.420 10.162 16.366
305 H SER 45 H SER 45 -12.310 9.539 14.954
306 HA SER 45 HA SER 45 -11.556 9.266 17.601
307 HB2 SER 45 1HB SER 45 -9.507 8.201 16.757
308 HB3 SER 45 2HB SER 45 -10.917 7.672 15.840
309 HG SER 45 HG SER 45 -9.148 9.741 15.034
310 H GLY 46 H GLY 46 -9.954 10.132 18.896
311 HA2 GLY 46 1HA GLY 46 -9.463 12.786 18.953
312 HA3 GLY 46 2HA GLY 46 -8.313 11.614 19.580
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -0.794 -6.794 1.137
2 HA2 GLY 1 1HA GLY 1 -0.456 -9.360 -0.284
3 HA3 GLY 1 2HA GLY 1 -0.765 -7.866 -1.155
4 H SER 2 H SER 2 1.508 -9.273 1.193
5 HA SER 2 HA SER 2 3.650 -7.728 -0.117
6 HB2 SER 2 1HB SER 2 3.194 -7.085 2.258
7 HB3 SER 2 2HB SER 2 3.625 -8.725 2.741
8 HG SER 2 HG SER 2 5.270 -6.794 2.566
9 H SER 3 H SER 3 3.869 -9.472 -1.644
10 HA SER 3 HA SER 3 4.770 -12.043 -0.633
11 HB2 SER 3 1HB SER 3 4.531 -11.089 -3.497
12 HB3 SER 3 2HB SER 3 4.760 -12.754 -2.961
13 HG SER 3 HG SER 3 2.530 -11.158 -2.239
14 H GLY 4 H GLY 4 6.060 -9.482 -2.755
15 HA2 GLY 4 1HA GLY 4 8.304 -8.650 -2.407
16 HA3 GLY 4 2HA GLY 4 8.760 -10.256 -1.860
17 H SER 5 H SER 5 10.527 -9.909 -3.429
18 HA SER 5 HA SER 5 9.898 -11.226 -5.905
19 HB2 SER 5 1HB SER 5 10.696 -8.322 -5.865
20 HB3 SER 5 2HB SER 5 11.062 -9.352 -7.249
21 HG SER 5 HG SER 5 8.997 -8.145 -7.271
22 H SER 6 H SER 6 11.616 -12.340 -6.684
23 HA SER 6 HA SER 6 13.756 -13.007 -5.144
24 HB2 SER 6 1HB SER 6 13.262 -14.307 -7.095
25 HB3 SER 6 2HB SER 6 13.555 -12.933 -8.160
26 HG SER 6 HG SER 6 15.680 -13.167 -7.913
27 H GLY 7 H GLY 7 15.490 -11.984 -4.404
28 HA2 GLY 7 1HA GLY 7 17.212 -10.478 -4.208
29 HA3 GLY 7 2HA GLY 7 17.158 -10.327 -5.958
30 H SER 8 H SER 8 14.956 -9.438 -3.296
31 HA SER 8 HA SER 8 15.276 -6.634 -3.815
32 HB2 SER 8 1HB SER 8 12.835 -8.096 -4.783
33 HB3 SER 8 2HB SER 8 12.722 -6.412 -4.273
34 HG SER 8 HG SER 8 14.730 -7.166 -6.079
35 H GLY 9 H GLY 9 15.297 -5.828 -1.830
36 HA2 GLY 9 1HA GLY 9 13.082 -6.137 -0.055
37 HA3 GLY 9 2HA GLY 9 14.469 -7.069 0.488
38 H GLU 10 H GLU 10 16.545 -5.376 -0.232
39 HA GLU 10 HA GLU 10 16.361 -3.427 1.877
40 HB2 GLU 10 1HB GLU 10 18.521 -4.416 0.066
41 HB3 GLU 10 2HB GLU 10 18.744 -2.874 0.881
42 HG2 GLU 10 1HG GLU 10 18.342 -4.008 3.043
43 HG3 GLU 10 2HG GLU 10 18.260 -5.543 2.181
44 H ARG 11 H ARG 11 15.388 -1.542 1.561
45 HA ARG 11 HA ARG 11 15.950 -0.080 -0.928
46 HB2 ARG 11 1HB ARG 11 13.284 -0.517 0.402
47 HB3 ARG 11 2HB ARG 11 13.565 0.835 -0.686
48 HG2 ARG 11 1HG ARG 11 12.640 -0.753 -2.079
49 HG3 ARG 11 2HG ARG 11 14.371 -0.973 -2.346
50 HD2 ARG 11 1HD ARG 11 14.436 -2.921 -1.042
51 HD3 ARG 11 2HD ARG 11 12.877 -2.575 -0.295
52 HE ARG 11 HE ARG 11 13.345 -3.793 -2.883
53 HH11 ARG 11 1HH1 ARG 11 11.070 -2.284 -0.723
54 HH12 ARG 11 2HH1 ARG 11 9.679 -2.954 -1.509
55 HH21 ARG 11 1HH2 ARG 11 11.521 -4.681 -3.928
56 HH22 ARG 11 2HH2 ARG 11 9.937 -4.318 -3.332
57 HA PRO 12 HA PRO 12 16.984 3.326 1.642
58 HB2 PRO 12 1HB PRO 12 16.288 5.408 0.044
59 HB3 PRO 12 2HB PRO 12 17.699 4.389 -0.266
60 HG2 PRO 12 1HG PRO 12 14.975 4.281 -1.503
61 HG3 PRO 12 2HG PRO 12 16.563 4.133 -2.279
62 HD2 PRO 12 1HD PRO 12 15.019 1.985 -1.696
63 HD3 PRO 12 2HD PRO 12 16.793 1.922 -1.669
64 H PHE 13 H PHE 13 13.782 3.496 0.117
65 HA PHE 13 HA PHE 13 12.795 4.908 2.506
66 HB2 PHE 13 1HB PHE 13 11.864 4.978 -0.362
67 HB3 PHE 13 2HB PHE 13 10.872 5.577 0.964
68 HD1 PHE 13 HD1 PHE 13 14.381 5.912 -0.269
69 HD2 PHE 13 HD2 PHE 13 10.950 7.827 1.369
70 HE1 PHE 13 HE1 PHE 13 15.537 8.081 -0.392
71 HE2 PHE 13 HE2 PHE 13 12.100 9.999 1.248
72 HZ PHE 13 HZ PHE 13 14.396 10.128 0.366
73 H LYS 14 H LYS 14 10.515 4.429 3.084
74 HA LYS 14 HA LYS 14 9.422 1.903 2.216
75 HB2 LYS 14 1HB LYS 14 11.051 1.124 3.849
76 HB3 LYS 14 2HB LYS 14 10.429 2.252 5.046
77 HG2 LYS 14 1HG LYS 14 8.524 0.308 3.870
78 HG3 LYS 14 2HG LYS 14 9.729 -0.299 5.009
79 HD2 LYS 14 1HD LYS 14 8.976 1.623 6.531
80 HD3 LYS 14 2HD LYS 14 7.578 1.749 5.461
81 HE2 LYS 14 1HE LYS 14 6.733 0.296 6.999
82 HE3 LYS 14 2HE LYS 14 7.476 -0.861 5.896
83 HZ1 LYS 14 3HZ LYS 14 8.943 0.224 8.222
84 HZ2 LYS 14 1HZ LYS 14 9.277 -1.170 7.323
85 HZ3 LYS 14 2HZ LYS 14 7.943 -1.133 8.361
86 H CYS 15 H CYS 15 7.254 1.678 2.701
87 HA CYS 15 HA CYS 15 5.958 4.102 3.678
88 HB2 CYS 15 1HB CYS 15 5.108 3.289 1.587
89 HB3 CYS 15 2HB CYS 15 4.908 1.664 2.236
90 H ASN 16 H ASN 16 4.930 4.254 5.575
91 HA ASN 16 HA ASN 16 5.056 1.997 7.393
92 HB2 ASN 16 1HB ASN 16 4.029 4.800 7.892
93 HB3 ASN 16 2HB ASN 16 4.406 3.589 9.114
94 HD21 ASN 16 1HD2 ASN 16 6.726 2.682 8.811
95 HD22 ASN 16 2HD2 ASN 16 7.953 3.884 8.622
96 H GLU 17 H GLU 17 2.767 3.486 5.337
97 HA GLU 17 HA GLU 17 0.380 2.919 6.720
98 HB2 GLU 17 1HB GLU 17 0.701 2.949 3.721
99 HB3 GLU 17 2HB GLU 17 -0.747 3.311 4.650
100 HG2 GLU 17 1HG GLU 17 1.744 4.962 4.886
101 HG3 GLU 17 2HG GLU 17 0.528 5.267 3.647
102 H CYS 18 H CYS 18 1.911 1.139 4.032
103 HA CYS 18 HA CYS 18 0.521 -1.282 4.978
104 HB2 CYS 18 1HB CYS 18 0.548 -2.095 2.682
105 HB3 CYS 18 2HB CYS 18 -0.233 -0.519 2.753
106 H GLY 19 H GLY 19 3.492 -0.089 3.434
107 HA2 GLY 19 1HA GLY 19 5.551 -0.904 4.650
108 HA3 GLY 19 2HA GLY 19 4.866 -2.507 4.429
109 H LYS 20 H LYS 20 4.496 -0.155 1.918
110 HA LYS 20 HA LYS 20 5.889 -1.824 0.055
111 HB2 LYS 20 1HB LYS 20 3.910 -0.569 -0.629
112 HB3 LYS 20 2HB LYS 20 4.721 0.948 -0.259
113 HG2 LYS 20 1HG LYS 20 4.827 0.708 -2.594
114 HG3 LYS 20 2HG LYS 20 6.439 0.309 -1.996
115 HD2 LYS 20 1HD LYS 20 6.129 -1.444 -3.424
116 HD3 LYS 20 2HD LYS 20 5.416 -2.137 -1.966
117 HE2 LYS 20 1HE LYS 20 3.924 -2.556 -3.783
118 HE3 LYS 20 2HE LYS 20 3.194 -1.322 -2.758
119 HZ1 LYS 20 3HZ LYS 20 4.583 -0.895 -5.345
120 HZ2 LYS 20 1HZ LYS 20 4.078 0.357 -4.325
121 HZ3 LYS 20 2HZ LYS 20 2.937 -0.677 -5.023
122 H GLY 21 H GLY 21 7.696 -1.183 -1.259
123 HA2 GLY 21 1HA GLY 21 9.409 0.872 -0.013
124 HA3 GLY 21 2HA GLY 21 10.046 -0.716 -0.410
125 H PHE 22 H PHE 22 10.698 2.063 -1.360
126 HA PHE 22 HA PHE 22 10.643 1.420 -4.221
127 HB2 PHE 22 1HB PHE 22 10.026 4.143 -3.054
128 HB3 PHE 22 2HB PHE 22 10.194 3.782 -4.769
129 HD1 PHE 22 HD2 PHE 22 8.160 3.049 -1.765
130 HD2 PHE 22 HD1 PHE 22 8.386 2.972 -6.015
131 HE1 PHE 22 HE2 PHE 22 5.765 2.498 -1.879
132 HE2 PHE 22 HE1 PHE 22 5.991 2.421 -6.135
133 HZ PHE 22 HZ PHE 22 4.678 2.183 -4.066
134 H GLY 23 H GLY 23 12.271 2.668 -5.468
135 HA2 GLY 23 1HA GLY 23 14.779 2.653 -4.046
136 HA3 GLY 23 2HA GLY 23 14.552 2.958 -5.761
137 H ARG 24 H ARG 24 12.821 5.114 -5.695
138 HA ARG 24 HA ARG 24 14.559 7.179 -4.526
139 HB2 ARG 24 1HB ARG 24 12.542 7.561 -6.737
140 HB3 ARG 24 2HB ARG 24 13.823 8.662 -6.249
141 HG2 ARG 24 1HG ARG 24 14.247 5.949 -7.483
142 HG3 ARG 24 2HG ARG 24 14.332 7.489 -8.341
143 HD2 ARG 24 1HD ARG 24 16.004 7.111 -5.907
144 HD3 ARG 24 2HD ARG 24 16.498 6.318 -7.402
145 HE ARG 24 HE ARG 24 16.705 9.090 -6.792
146 HH11 ARG 24 1HH1 ARG 24 16.169 6.839 -9.392
147 HH12 ARG 24 2HH1 ARG 24 16.781 7.904 -10.614
148 HH21 ARG 24 1HH2 ARG 24 17.513 10.501 -8.391
149 HH22 ARG 24 2HH2 ARG 24 17.546 9.986 -10.044
150 H ARG 25 H ARG 25 13.496 9.162 -3.768
151 HA ARG 25 HA ARG 25 11.471 8.601 -1.894
152 HB2 ARG 25 1HB ARG 25 12.713 10.392 -1.202
153 HB3 ARG 25 2HB ARG 25 12.898 11.030 -2.831
154 HG2 ARG 25 1HG ARG 25 11.539 12.449 -1.301
155 HG3 ARG 25 2HG ARG 25 10.719 11.982 -2.791
156 HD2 ARG 25 1HD ARG 25 9.242 10.615 -1.713
157 HD3 ARG 25 2HD ARG 25 10.375 10.236 -0.416
158 HE ARG 25 HE ARG 25 9.425 11.914 0.787
159 HH11 ARG 25 1HH1 ARG 25 8.908 12.567 -2.594
160 HH12 ARG 25 2HH1 ARG 25 7.962 13.990 -2.308
161 HH21 ARG 25 1HH2 ARG 25 8.181 13.786 1.176
162 HH22 ARG 25 2HH2 ARG 25 7.550 14.683 -0.164
163 H SER 26 H SER 26 11.281 10.881 -4.634
164 HA SER 26 HA SER 26 8.611 11.389 -4.644
165 HB2 SER 26 1HB SER 26 10.332 10.937 -7.095
166 HB3 SER 26 2HB SER 26 8.793 11.797 -7.070
167 HG SER 26 HG SER 26 10.199 12.939 -5.222
168 H HIS 27 H HIS 27 10.207 8.483 -5.782
169 HA HIS 27 HA HIS 27 8.073 7.322 -7.179
170 HB2 HIS 27 1HB HIS 27 10.402 6.102 -5.698
171 HB3 HIS 27 2HB HIS 27 9.250 5.138 -6.618
172 HD1 HIS 27 HD1 HIS 27 12.222 5.208 -7.402
173 HD2 HIS 27 HD2 HIS 27 9.321 7.698 -9.029
174 HE1 HIS 27 HE1 HIS 27 13.132 5.932 -9.632
175 H LEU 28 H LEU 28 8.946 7.212 -3.756
176 HA LEU 28 HA LEU 28 6.781 5.434 -3.089
177 HB2 LEU 28 1HB LEU 28 8.601 5.174 -1.682
178 HB3 LEU 28 2HB LEU 28 8.876 6.910 -1.554
179 HG LEU 28 HG LEU 28 6.728 6.999 -0.198
180 HD11 LEU 28 1HD1 LEU 28 7.082 4.194 0.577
181 HD12 LEU 28 2HD1 LEU 28 6.394 4.436 -1.029
182 HD13 LEU 28 3HD1 LEU 28 5.609 5.145 0.382
183 HD21 LEU 28 3HD2 LEU 28 9.302 6.734 0.544
184 HD22 LEU 28 1HD2 LEU 28 8.607 5.310 1.320
185 HD23 LEU 28 2HD2 LEU 28 7.968 6.913 1.684
186 H ALA 29 H ALA 29 7.504 8.874 -2.579
187 HA ALA 29 HA ALA 29 5.446 9.751 -1.079
188 HB1 ALA 29 3HB ALA 29 6.254 11.725 -1.684
189 HB2 ALA 29 1HB ALA 29 7.215 10.925 -2.928
190 HB3 ALA 29 2HB ALA 29 5.602 11.528 -3.311
191 H GLY 30 H GLY 30 5.246 8.954 -4.530
192 HA2 GLY 30 1HA GLY 30 2.528 9.722 -4.838
193 HA3 GLY 30 2HA GLY 30 3.438 8.682 -5.924
194 H HIS 31 H HIS 31 4.081 6.738 -3.845
195 HA HIS 31 HA HIS 31 1.901 5.002 -4.165
196 HB2 HIS 31 1HB HIS 31 4.064 4.065 -3.779
197 HB3 HIS 31 2HB HIS 31 4.246 4.945 -2.264
198 HD1 HIS 31 HD1 HIS 31 2.278 2.083 -3.757
199 HD2 HIS 31 HD2 HIS 31 3.303 3.642 -0.045
200 HE1 HIS 31 HE1 HIS 31 1.504 0.381 -2.075
201 H LEU 32 H LEU 32 2.493 7.492 -1.877
202 HA LEU 32 HA LEU 32 0.550 6.457 0.031
203 HB2 LEU 32 1HB LEU 32 2.126 9.026 0.059
204 HB3 LEU 32 2HB LEU 32 1.136 8.405 1.377
205 HG LEU 32 HG LEU 32 3.212 7.800 2.107
206 HD11 LEU 32 1HD1 LEU 32 1.948 5.768 2.012
207 HD12 LEU 32 2HD1 LEU 32 3.615 5.408 1.566
208 HD13 LEU 32 3HD1 LEU 32 2.375 5.524 0.318
209 HD21 LEU 32 3HD2 LEU 32 5.027 8.016 0.845
210 HD22 LEU 32 1HD2 LEU 32 3.972 8.355 -0.527
211 HD23 LEU 32 2HD2 LEU 32 4.510 6.704 -0.215
212 H ARG 33 H ARG 33 0.806 8.796 -2.523
213 HA ARG 33 HA ARG 33 -1.267 10.533 -1.934
214 HB2 ARG 33 1HB ARG 33 -0.044 9.547 -4.474
215 HB3 ARG 33 2HB ARG 33 -1.526 10.490 -4.567
216 HG2 ARG 33 1HG ARG 33 -0.281 12.190 -3.088
217 HG3 ARG 33 2HG ARG 33 1.172 11.317 -3.577
218 HD2 ARG 33 1HD ARG 33 0.916 13.117 -5.098
219 HD3 ARG 33 2HD ARG 33 0.440 11.655 -5.960
220 HE ARG 33 HE ARG 33 -1.308 13.822 -5.094
221 HH11 ARG 33 1HH1 ARG 33 -0.958 10.680 -6.551
222 HH12 ARG 33 2HH1 ARG 33 -2.529 10.699 -7.280
223 HH21 ARG 33 1HH2 ARG 33 -3.379 13.859 -6.048
224 HH22 ARG 33 2HH2 ARG 33 -3.905 12.508 -6.994
225 H LEU 34 H LEU 34 -1.380 7.260 -3.173
226 HA LEU 34 HA LEU 34 -4.180 7.354 -3.821
227 HB2 LEU 34 1HB LEU 34 -3.956 4.964 -4.226
228 HB3 LEU 34 2HB LEU 34 -2.681 5.877 -5.032
229 HG LEU 34 HG LEU 34 -1.261 5.243 -2.953
230 HD11 LEU 34 1HD1 LEU 34 -3.719 3.802 -2.464
231 HD12 LEU 34 2HD1 LEU 34 -2.330 4.057 -1.408
232 HD13 LEU 34 3HD1 LEU 34 -2.332 2.716 -2.553
233 HD21 LEU 34 3HD2 LEU 34 -2.041 3.474 -5.239
234 HD22 LEU 34 1HD2 LEU 34 -0.855 2.938 -4.049
235 HD23 LEU 34 2HD2 LEU 34 -0.557 4.396 -4.996
236 H HIS 35 H HIS 35 -2.225 6.405 -1.082
237 HA HIS 35 HA HIS 35 -4.085 4.884 0.340
238 HB2 HIS 35 1HB HIS 35 -1.667 6.465 1.044
239 HB3 HIS 35 2HB HIS 35 -2.747 6.020 2.362
240 HD1 HIS 35 HD1 HIS 35 -3.415 3.251 2.123
241 HD2 HIS 35 HD2 HIS 35 0.256 4.610 0.731
242 HE1 HIS 35 HE1 HIS 35 -1.938 1.218 2.026
243 H SER 36 H SER 36 -3.639 8.374 0.139
244 HA SER 36 HA SER 36 -5.520 9.009 2.183
245 HB2 SER 36 1HB SER 36 -3.995 10.526 0.126
246 HB3 SER 36 2HB SER 36 -5.435 11.294 0.794
247 HG SER 36 HG SER 36 -4.424 10.641 2.910
248 H ARG 37 H ARG 37 -5.682 8.748 -1.334
249 HA ARG 37 HA ARG 37 -8.141 9.826 -1.873
250 HB2 ARG 37 1HB ARG 37 -6.930 9.078 -3.729
251 HB3 ARG 37 2HB ARG 37 -6.687 7.477 -3.043
252 HG2 ARG 37 1HG ARG 37 -9.467 8.322 -3.641
253 HG3 ARG 37 2HG ARG 37 -8.408 7.919 -4.994
254 HD2 ARG 37 1HD ARG 37 -7.871 5.802 -3.559
255 HD3 ARG 37 2HD ARG 37 -9.403 6.186 -2.775
256 HE ARG 37 HE ARG 37 -10.088 6.226 -5.361
257 HH11 ARG 37 1HH1 ARG 37 -8.265 3.926 -3.489
258 HH12 ARG 37 2HH1 ARG 37 -8.751 2.565 -4.445
259 HH21 ARG 37 1HH2 ARG 37 -10.735 4.443 -6.628
260 HH22 ARG 37 2HH2 ARG 37 -10.155 2.861 -6.231
261 H GLU 38 H GLU 38 -7.439 6.606 -0.588
262 HA GLU 38 HA GLU 38 -10.285 6.006 -0.395
263 HB2 GLU 38 1HB GLU 38 -8.365 4.366 -1.091
264 HB3 GLU 38 2HB GLU 38 -8.125 4.208 0.643
265 HG2 GLU 38 1HG GLU 38 -9.534 2.433 -0.077
266 HG3 GLU 38 2HG GLU 38 -10.514 3.564 0.856
267 H LYS 39 H LYS 39 -9.625 8.146 1.174
268 HA LYS 39 HA LYS 39 -9.337 7.117 3.901
269 HB2 LYS 39 1HB LYS 39 -9.144 9.869 2.699
270 HB3 LYS 39 2HB LYS 39 -9.289 9.635 4.436
271 HG2 LYS 39 1HG LYS 39 -7.169 8.160 2.956
272 HG3 LYS 39 2HG LYS 39 -6.946 9.877 3.299
273 HD2 LYS 39 1HD LYS 39 -7.694 7.884 5.425
274 HD3 LYS 39 2HD LYS 39 -6.017 8.243 5.009
275 HE2 LYS 39 1HE LYS 39 -6.519 10.656 5.455
276 HE3 LYS 39 2HE LYS 39 -8.096 10.153 6.065
277 HZ1 LYS 39 3HZ LYS 39 -5.996 10.436 7.628
278 HZ2 LYS 39 1HZ LYS 39 -5.758 8.820 7.187
279 HZ3 LYS 39 2HZ LYS 39 -7.200 9.289 7.936
280 H SER 40 H SER 40 -10.855 7.554 5.522
281 HA SER 40 HA SER 40 -13.471 8.532 4.594
282 HB2 SER 40 1HB SER 40 -13.181 5.946 4.903
283 HB3 SER 40 2HB SER 40 -13.297 6.326 6.621
284 HG SER 40 HG SER 40 -15.231 6.433 4.639
285 H SER 41 H SER 41 -14.914 9.178 6.403
286 HA SER 41 HA SER 41 -15.349 10.488 8.211
287 HB2 SER 41 1HB SER 41 -13.212 8.654 9.177
288 HB3 SER 41 2HB SER 41 -13.583 10.060 10.175
289 HG SER 41 HG SER 41 -14.851 7.858 10.258
290 H GLY 42 H GLY 42 -14.064 11.797 6.216
291 HA2 GLY 42 1HA GLY 42 -12.415 13.703 7.732
292 HA3 GLY 42 2HA GLY 42 -11.814 13.081 6.202
293 HA PRO 43 HA PRO 43 -14.525 16.933 5.658
294 HB2 PRO 43 1HB PRO 43 -12.556 18.657 4.937
295 HB3 PRO 43 2HB PRO 43 -13.065 18.428 6.614
296 HG2 PRO 43 1HG PRO 43 -10.718 17.258 5.171
297 HG3 PRO 43 2HG PRO 43 -10.801 17.936 6.808
298 HD2 PRO 43 1HD PRO 43 -10.839 15.271 6.331
299 HD3 PRO 43 2HD PRO 43 -11.702 16.009 7.695
300 H SER 44 H SER 44 -12.757 14.774 3.956
301 HA SER 44 HA SER 44 -13.544 15.977 1.389
302 HB2 SER 44 1HB SER 44 -11.010 16.022 1.919
303 HB3 SER 44 2HB SER 44 -11.069 14.282 1.640
304 HG SER 44 HG SER 44 -11.740 14.655 -0.449
305 H SER 45 H SER 45 -15.063 14.754 0.512
306 HA SER 45 HA SER 45 -14.961 11.842 0.949
307 HB2 SER 45 1HB SER 45 -17.328 13.647 0.407
308 HB3 SER 45 2HB SER 45 -17.418 11.887 0.458
309 HG SER 45 HG SER 45 -16.772 11.960 2.617
310 H GLY 46 H GLY 46 -13.378 12.964 -1.045
311 HA2 GLY 46 1HA GLY 46 -14.820 12.147 -3.493
312 HA3 GLY 46 2HA GLY 46 -13.585 13.398 -3.475
Start of MODEL 19
1 H1 GLY 1 H GLY 1 0.982 -17.279 14.010
2 HA2 GLY 1 1HA GLY 1 1.781 -14.950 13.473
3 HA3 GLY 1 2HA GLY 1 3.287 -15.444 14.233
4 H SER 2 H SER 2 3.877 -14.592 11.948
5 HA SER 2 HA SER 2 4.458 -16.932 10.346
6 HB2 SER 2 1HB SER 2 3.018 -14.592 9.079
7 HB3 SER 2 2HB SER 2 3.529 -16.079 8.281
8 HG SER 2 HG SER 2 1.792 -17.022 8.985
9 H SER 3 H SER 3 6.303 -16.719 9.136
10 HA SER 3 HA SER 3 7.795 -14.223 9.547
11 HB2 SER 3 1HB SER 3 8.623 -17.083 9.164
12 HB3 SER 3 2HB SER 3 9.753 -15.782 8.790
13 HG SER 3 HG SER 3 10.133 -16.128 10.880
14 H GLY 4 H GLY 4 7.454 -16.763 7.058
15 HA2 GLY 4 1HA GLY 4 7.897 -16.617 4.776
16 HA3 GLY 4 2HA GLY 4 6.628 -15.409 4.910
17 H SER 5 H SER 5 9.938 -15.243 6.151
18 HA SER 5 HA SER 5 10.302 -12.629 5.057
19 HB2 SER 5 1HB SER 5 12.595 -12.818 5.979
20 HB3 SER 5 2HB SER 5 11.365 -13.249 7.166
21 HG SER 5 HG SER 5 11.914 -15.344 7.001
22 H SER 6 H SER 6 9.938 -13.057 2.805
23 HA SER 6 HA SER 6 12.134 -14.475 1.456
24 HB2 SER 6 1HB SER 6 9.307 -13.840 0.642
25 HB3 SER 6 2HB SER 6 10.527 -14.251 -0.563
26 HG SER 6 HG SER 6 9.888 -15.858 1.687
27 H GLY 7 H GLY 7 12.725 -11.971 2.483
28 HA2 GLY 7 1HA GLY 7 12.529 -10.090 0.250
29 HA3 GLY 7 2HA GLY 7 13.107 -9.722 1.868
30 H SER 8 H SER 8 14.075 -9.900 -1.214
31 HA SER 8 HA SER 8 16.798 -10.769 -0.492
32 HB2 SER 8 1HB SER 8 15.343 -10.939 -3.136
33 HB3 SER 8 2HB SER 8 17.079 -11.200 -2.970
34 HG SER 8 HG SER 8 15.219 -12.632 -1.404
35 H GLY 9 H GLY 9 16.057 -8.201 0.115
36 HA2 GLY 9 1HA GLY 9 18.044 -6.621 -0.877
37 HA3 GLY 9 2HA GLY 9 16.729 -6.392 -2.019
38 H GLU 10 H GLU 10 18.005 -4.512 -0.121
39 HA GLU 10 HA GLU 10 15.619 -3.804 1.458
40 HB2 GLU 10 1HB GLU 10 17.151 -2.592 2.975
41 HB3 GLU 10 2HB GLU 10 17.487 -4.316 2.912
42 HG2 GLU 10 1HG GLU 10 19.329 -3.869 1.338
43 HG3 GLU 10 2HG GLU 10 19.018 -2.142 1.504
44 H ARG 11 H ARG 11 14.599 -2.005 0.888
45 HA ARG 11 HA ARG 11 15.788 -0.265 -1.111
46 HB2 ARG 11 1HB ARG 11 13.030 -0.425 0.102
47 HB3 ARG 11 2HB ARG 11 13.502 0.835 -1.029
48 HG2 ARG 11 1HG ARG 11 13.693 -2.097 -1.660
49 HG3 ARG 11 2HG ARG 11 12.272 -1.114 -2.018
50 HD2 ARG 11 1HD ARG 11 13.936 0.446 -3.223
51 HD3 ARG 11 2HD ARG 11 15.034 -0.932 -3.168
52 HE ARG 11 HE ARG 11 12.413 -1.478 -4.267
53 HH11 ARG 11 1HH1 ARG 11 15.714 -0.574 -4.905
54 HH12 ARG 11 2HH1 ARG 11 15.669 -1.079 -6.562
55 HH21 ARG 11 1HH2 ARG 11 12.342 -2.146 -6.447
56 HH22 ARG 11 2HH2 ARG 11 13.750 -1.972 -7.438
57 HA PRO 12 HA PRO 12 16.961 3.011 1.563
58 HB2 PRO 12 1HB PRO 12 16.439 5.179 0.015
59 HB3 PRO 12 2HB PRO 12 17.787 4.078 -0.297
60 HG2 PRO 12 1HG PRO 12 15.090 4.186 -1.592
61 HG3 PRO 12 2HG PRO 12 16.682 3.955 -2.339
62 HD2 PRO 12 1HD PRO 12 14.988 1.898 -1.852
63 HD3 PRO 12 2HD PRO 12 16.753 1.717 -1.791
64 H PHE 13 H PHE 13 13.787 3.331 0.028
65 HA PHE 13 HA PHE 13 12.851 4.776 2.419
66 HB2 PHE 13 1HB PHE 13 11.961 4.969 -0.457
67 HB3 PHE 13 2HB PHE 13 11.007 5.612 0.875
68 HD1 PHE 13 HD1 PHE 13 14.425 5.781 -0.589
69 HD2 PHE 13 HD2 PHE 13 11.354 7.783 1.575
70 HE1 PHE 13 HE1 PHE 13 15.733 7.864 -0.666
71 HE2 PHE 13 HE2 PHE 13 12.657 9.869 1.500
72 HZ PHE 13 HZ PHE 13 14.849 9.911 0.378
73 H LYS 14 H LYS 14 10.543 4.413 2.955
74 HA LYS 14 HA LYS 14 9.319 1.979 1.998
75 HB2 LYS 14 1HB LYS 14 10.987 1.244 3.739
76 HB3 LYS 14 2HB LYS 14 10.064 2.165 4.919
77 HG2 LYS 14 1HG LYS 14 8.063 0.755 4.188
78 HG3 LYS 14 2HG LYS 14 9.252 -0.296 3.413
79 HD2 LYS 14 1HD LYS 14 10.414 -0.187 5.764
80 HD3 LYS 14 2HD LYS 14 8.793 0.247 6.312
81 HE2 LYS 14 1HE LYS 14 8.665 -2.022 6.509
82 HE3 LYS 14 2HE LYS 14 8.124 -1.843 4.841
83 HZ1 LYS 14 3HZ LYS 14 10.726 -2.787 5.848
84 HZ2 LYS 14 1HZ LYS 14 10.607 -2.127 4.295
85 HZ3 LYS 14 2HZ LYS 14 9.705 -3.498 4.702
86 H CYS 15 H CYS 15 7.153 1.684 2.798
87 HA CYS 15 HA CYS 15 5.951 4.227 3.628
88 HB2 CYS 15 1HB CYS 15 4.921 3.509 1.649
89 HB3 CYS 15 2HB CYS 15 4.906 1.824 2.158
90 H ASN 16 H ASN 16 4.434 4.333 5.308
91 HA ASN 16 HA ASN 16 4.770 2.238 7.324
92 HB2 ASN 16 1HB ASN 16 3.417 4.891 7.768
93 HB3 ASN 16 2HB ASN 16 4.193 3.843 8.952
94 HD21 ASN 16 1HD2 ASN 16 6.537 3.585 8.761
95 HD22 ASN 16 2HD2 ASN 16 7.474 4.934 8.223
96 H GLU 17 H GLU 17 2.374 3.733 5.293
97 HA GLU 17 HA GLU 17 0.023 3.013 6.577
98 HB2 GLU 17 1HB GLU 17 0.462 2.959 3.589
99 HB3 GLU 17 2HB GLU 17 -1.063 3.197 4.432
100 HG2 GLU 17 1HG GLU 17 1.250 5.087 4.720
101 HG3 GLU 17 2HG GLU 17 0.037 5.252 3.452
102 H CYS 18 H CYS 18 1.683 1.185 4.000
103 HA CYS 18 HA CYS 18 0.413 -1.257 5.054
104 HB2 CYS 18 1HB CYS 18 0.539 -2.173 2.775
105 HB3 CYS 18 2HB CYS 18 -0.415 -0.694 2.822
106 H GLY 19 H GLY 19 3.328 0.084 3.551
107 HA2 GLY 19 1HA GLY 19 5.423 -0.583 4.747
108 HA3 GLY 19 2HA GLY 19 4.825 -2.231 4.619
109 H LYS 20 H LYS 20 4.375 0.011 2.003
110 HA LYS 20 HA LYS 20 5.712 -1.696 0.165
111 HB2 LYS 20 1HB LYS 20 3.790 -0.219 -0.419
112 HB3 LYS 20 2HB LYS 20 4.847 1.174 -0.232
113 HG2 LYS 20 1HG LYS 20 4.705 0.709 -2.547
114 HG3 LYS 20 2HG LYS 20 6.306 0.191 -2.016
115 HD2 LYS 20 1HD LYS 20 5.617 -1.587 -3.331
116 HD3 LYS 20 2HD LYS 20 5.178 -2.125 -1.708
117 HE2 LYS 20 1HE LYS 20 2.882 -1.414 -2.074
118 HE3 LYS 20 2HE LYS 20 3.309 -0.798 -3.670
119 HZ1 LYS 20 3HZ LYS 20 3.284 -3.623 -2.774
120 HZ2 LYS 20 1HZ LYS 20 3.987 -3.122 -4.229
121 HZ3 LYS 20 2HZ LYS 20 2.329 -2.910 -3.974
122 H GLY 21 H GLY 21 7.509 -1.051 -1.236
123 HA2 GLY 21 1HA GLY 21 9.393 0.788 0.098
124 HA3 GLY 21 2HA GLY 21 9.909 -0.806 -0.433
125 H PHE 22 H PHE 22 10.746 1.968 -1.203
126 HA PHE 22 HA PHE 22 10.676 1.509 -4.084
127 HB2 PHE 22 1HB PHE 22 9.930 4.155 -2.820
128 HB3 PHE 22 2HB PHE 22 10.149 3.875 -4.544
129 HD1 PHE 22 HD2 PHE 22 8.052 3.050 -1.624
130 HD2 PHE 22 HD1 PHE 22 8.431 2.938 -5.862
131 HE1 PHE 22 HE2 PHE 22 5.683 2.414 -1.816
132 HE2 PHE 22 HE1 PHE 22 6.062 2.303 -6.061
133 HZ PHE 22 HZ PHE 22 4.685 2.039 -4.036
134 H GLY 23 H GLY 23 12.309 2.774 -5.250
135 HA2 GLY 23 1HA GLY 23 14.731 2.978 -3.648
136 HA3 GLY 23 2HA GLY 23 14.634 3.013 -5.403
137 H ARG 24 H ARG 24 12.702 5.070 -5.652
138 HA ARG 24 HA ARG 24 14.388 7.362 -4.956
139 HB2 ARG 24 1HB ARG 24 12.192 6.987 -6.990
140 HB3 ARG 24 2HB ARG 24 12.888 8.559 -6.621
141 HG2 ARG 24 1HG ARG 24 14.995 7.941 -7.465
142 HG3 ARG 24 2HG ARG 24 14.565 6.230 -7.498
143 HD2 ARG 24 1HD ARG 24 13.032 6.579 -9.297
144 HD3 ARG 24 2HD ARG 24 13.194 8.330 -9.166
145 HE ARG 24 HE ARG 24 15.725 7.448 -9.677
146 HH11 ARG 24 1HH1 ARG 24 12.634 7.100 -11.241
147 HH12 ARG 24 2HH1 ARG 24 13.307 6.978 -12.833
148 HH21 ARG 24 1HH2 ARG 24 16.623 7.289 -11.768
149 HH22 ARG 24 2HH2 ARG 24 15.576 7.085 -13.132
150 H ARG 25 H ARG 25 13.537 9.230 -3.990
151 HA ARG 25 HA ARG 25 11.681 8.803 -1.930
152 HB2 ARG 25 1HB ARG 25 13.508 10.582 -2.076
153 HB3 ARG 25 2HB ARG 25 12.382 11.507 -3.060
154 HG2 ARG 25 1HG ARG 25 11.956 10.614 -0.216
155 HG3 ARG 25 2HG ARG 25 12.303 12.255 -0.767
156 HD2 ARG 25 1HD ARG 25 10.152 11.785 -2.258
157 HD3 ARG 25 2HD ARG 25 9.795 10.677 -0.933
158 HE ARG 25 HE ARG 25 9.718 13.547 -0.861
159 HH11 ARG 25 1HH1 ARG 25 10.103 10.650 1.030
160 HH12 ARG 25 2HH1 ARG 25 9.583 11.389 2.508
161 HH21 ARG 25 1HH2 ARG 25 9.032 14.532 1.079
162 HH22 ARG 25 2HH2 ARG 25 8.973 13.597 2.535
163 H SER 26 H SER 26 11.342 10.685 -4.938
164 HA SER 26 HA SER 26 8.639 11.354 -4.578
165 HB2 SER 26 1HB SER 26 10.021 12.539 -6.188
166 HB3 SER 26 2HB SER 26 10.244 11.064 -7.129
167 HG SER 26 HG SER 26 8.535 12.664 -7.783
168 H HIS 27 H HIS 27 10.186 8.491 -5.827
169 HA HIS 27 HA HIS 27 8.019 7.350 -7.195
170 HB2 HIS 27 1HB HIS 27 10.540 6.331 -5.988
171 HB3 HIS 27 2HB HIS 27 9.291 5.148 -6.366
172 HD1 HIS 27 HD1 HIS 27 11.120 4.273 -8.129
173 HD2 HIS 27 HD2 HIS 27 9.418 7.976 -8.936
174 HE1 HIS 27 HE1 HIS 27 11.621 4.730 -10.550
175 H LEU 28 H LEU 28 8.936 7.272 -3.791
176 HA LEU 28 HA LEU 28 6.815 5.447 -3.089
177 HB2 LEU 28 1HB LEU 28 8.647 5.202 -1.703
178 HB3 LEU 28 2HB LEU 28 8.929 6.939 -1.600
179 HG LEU 28 HG LEU 28 6.852 7.081 -0.181
180 HD11 LEU 28 1HD1 LEU 28 5.609 5.295 0.295
181 HD12 LEU 28 2HD1 LEU 28 7.023 4.295 0.629
182 HD13 LEU 28 3HD1 LEU 28 6.454 4.490 -1.028
183 HD21 LEU 28 3HD2 LEU 28 9.389 6.754 0.531
184 HD22 LEU 28 1HD2 LEU 28 8.737 5.264 1.212
185 HD23 LEU 28 2HD2 LEU 28 8.082 6.823 1.714
186 H ALA 29 H ALA 29 7.525 8.880 -2.461
187 HA ALA 29 HA ALA 29 5.471 9.725 -0.970
188 HB1 ALA 29 3HB ALA 29 6.039 11.782 -1.638
189 HB2 ALA 29 1HB ALA 29 7.266 10.974 -2.614
190 HB3 ALA 29 2HB ALA 29 5.719 11.422 -3.334
191 H GLY 30 H GLY 30 5.228 8.963 -4.426
192 HA2 GLY 30 1HA GLY 30 2.500 9.704 -4.688
193 HA3 GLY 30 2HA GLY 30 3.403 8.682 -5.796
194 H HIS 31 H HIS 31 4.099 6.666 -3.883
195 HA HIS 31 HA HIS 31 1.938 4.933 -4.145
196 HB2 HIS 31 1HB HIS 31 4.106 4.010 -3.780
197 HB3 HIS 31 2HB HIS 31 4.301 4.892 -2.268
198 HD1 HIS 31 HD1 HIS 31 2.463 1.952 -3.738
199 HD2 HIS 31 HD2 HIS 31 3.279 3.639 -0.030
200 HE1 HIS 31 HE1 HIS 31 1.698 0.257 -2.045
201 H LEU 32 H LEU 32 2.458 7.441 -1.882
202 HA LEU 32 HA LEU 32 0.570 6.348 0.053
203 HB2 LEU 32 1HB LEU 32 2.120 8.933 0.044
204 HB3 LEU 32 2HB LEU 32 1.093 8.368 1.360
205 HG LEU 32 HG LEU 32 3.101 7.720 2.188
206 HD11 LEU 32 1HD1 LEU 32 3.564 5.354 1.668
207 HD12 LEU 32 2HD1 LEU 32 2.457 5.461 0.300
208 HD13 LEU 32 3HD1 LEU 32 1.851 5.672 1.942
209 HD21 LEU 32 3HD2 LEU 32 4.081 8.515 -0.202
210 HD22 LEU 32 1HD2 LEU 32 4.405 6.783 -0.277
211 HD23 LEU 32 2HD2 LEU 32 5.047 7.742 1.056
212 H ARG 33 H ARG 33 0.740 8.690 -2.506
213 HA ARG 33 HA ARG 33 -1.359 10.382 -1.923
214 HB2 ARG 33 1HB ARG 33 -0.200 9.345 -4.477
215 HB3 ARG 33 2HB ARG 33 -1.682 10.290 -4.538
216 HG2 ARG 33 1HG ARG 33 -0.520 12.109 -3.325
217 HG3 ARG 33 2HG ARG 33 0.970 11.167 -3.418
218 HD2 ARG 33 1HD ARG 33 1.238 12.457 -5.275
219 HD3 ARG 33 2HD ARG 33 0.340 11.120 -5.990
220 HE ARG 33 HE ARG 33 -1.471 12.515 -6.276
221 HH11 ARG 33 1HH1 ARG 33 0.925 14.069 -4.285
222 HH12 ARG 33 2HH1 ARG 33 0.162 15.623 -4.352
223 HH21 ARG 33 1HH2 ARG 33 -2.485 14.556 -6.372
224 HH22 ARG 33 2HH2 ARG 33 -1.778 15.898 -5.538
225 H LEU 34 H LEU 34 -1.448 7.102 -3.182
226 HA LEU 34 HA LEU 34 -4.249 7.114 -3.753
227 HB2 LEU 34 1HB LEU 34 -3.964 4.658 -3.944
228 HB3 LEU 34 2HB LEU 34 -2.849 5.591 -4.942
229 HG LEU 34 HG LEU 34 -1.195 5.224 -2.964
230 HD11 LEU 34 1HD1 LEU 34 -3.470 3.614 -2.178
231 HD12 LEU 34 2HD1 LEU 34 -2.035 4.069 -1.260
232 HD13 LEU 34 3HD1 LEU 34 -1.995 2.656 -2.314
233 HD21 LEU 34 3HD2 LEU 34 -0.872 2.780 -3.982
234 HD22 LEU 34 1HD2 LEU 34 -0.458 4.245 -4.872
235 HD23 LEU 34 2HD2 LEU 34 -1.991 3.430 -5.181
236 H HIS 35 H HIS 35 -2.265 6.249 -0.995
237 HA HIS 35 HA HIS 35 -4.132 4.807 0.497
238 HB2 HIS 35 1HB HIS 35 -1.682 6.373 1.125
239 HB3 HIS 35 2HB HIS 35 -2.752 5.976 2.467
240 HD1 HIS 35 HD1 HIS 35 -3.445 3.219 2.347
241 HD2 HIS 35 HD2 HIS 35 0.201 4.478 0.802
242 HE1 HIS 35 HE1 HIS 35 -1.998 1.163 2.277
243 H SER 36 H SER 36 -3.681 8.268 0.102
244 HA SER 36 HA SER 36 -5.953 8.755 1.906
245 HB2 SER 36 1HB SER 36 -3.646 10.471 1.022
246 HB3 SER 36 2HB SER 36 -5.112 11.198 1.678
247 HG SER 36 HG SER 36 -3.450 9.287 2.962
248 H ARG 37 H ARG 37 -6.552 7.725 -0.587
249 HA ARG 37 HA ARG 37 -7.377 9.993 -2.238
250 HB2 ARG 37 1HB ARG 37 -7.731 8.461 -3.991
251 HB3 ARG 37 2HB ARG 37 -6.272 7.895 -3.187
252 HG2 ARG 37 1HG ARG 37 -7.462 6.139 -2.100
253 HG3 ARG 37 2HG ARG 37 -9.013 6.784 -2.643
254 HD2 ARG 37 1HD ARG 37 -6.890 5.960 -4.595
255 HD3 ARG 37 2HD ARG 37 -8.010 4.783 -3.909
256 HE ARG 37 HE ARG 37 -8.574 6.699 -5.944
257 HH11 ARG 37 1HH1 ARG 37 -9.969 4.964 -3.267
258 HH12 ARG 37 2HH1 ARG 37 -11.584 5.039 -3.891
259 HH21 ARG 37 1HH2 ARG 37 -10.695 6.805 -6.775
260 HH22 ARG 37 2HH2 ARG 37 -11.995 6.086 -5.887
261 H GLU 38 H GLU 38 -8.737 7.266 -0.444
262 HA GLU 38 HA GLU 38 -11.444 7.823 -1.132
263 HB2 GLU 38 1HB GLU 38 -10.538 5.608 -0.323
264 HB3 GLU 38 2HB GLU 38 -10.466 6.307 1.288
265 HG2 GLU 38 1HG GLU 38 -12.970 6.836 0.900
266 HG3 GLU 38 2HG GLU 38 -12.853 5.615 -0.365
267 H LYS 39 H LYS 39 -9.492 8.457 1.771
268 HA LYS 39 HA LYS 39 -11.289 9.583 3.458
269 HB2 LYS 39 1HB LYS 39 -8.534 10.686 2.873
270 HB3 LYS 39 2HB LYS 39 -9.473 10.991 4.328
271 HG2 LYS 39 1HG LYS 39 -9.421 8.534 4.779
272 HG3 LYS 39 2HG LYS 39 -8.300 8.372 3.425
273 HD2 LYS 39 1HD LYS 39 -6.731 9.877 4.536
274 HD3 LYS 39 2HD LYS 39 -7.858 10.073 5.880
275 HE2 LYS 39 1HE LYS 39 -6.855 7.368 5.056
276 HE3 LYS 39 2HE LYS 39 -5.924 8.399 6.142
277 HZ1 LYS 39 3HZ LYS 39 -8.752 7.693 6.664
278 HZ2 LYS 39 1HZ LYS 39 -7.622 8.344 7.742
279 HZ3 LYS 39 2HZ LYS 39 -7.465 6.744 7.217
280 H SER 40 H SER 40 -12.573 11.321 3.525
281 HA SER 40 HA SER 40 -13.516 13.338 3.020
282 HB2 SER 40 1HB SER 40 -11.030 14.053 2.932
283 HB3 SER 40 2HB SER 40 -11.219 13.974 1.181
284 HG SER 40 HG SER 40 -12.718 15.579 1.266
285 H SER 41 H SER 41 -14.230 11.046 1.618
286 HA SER 41 HA SER 41 -14.905 12.175 -1.017
287 HB2 SER 41 1HB SER 41 -14.735 9.984 -2.023
288 HB3 SER 41 2HB SER 41 -13.225 10.325 -1.179
289 HG SER 41 HG SER 41 -13.665 8.384 -0.410
290 H GLY 42 H GLY 42 -15.840 9.800 1.460
291 HA2 GLY 42 1HA GLY 42 -18.127 10.105 2.373
292 HA3 GLY 42 2HA GLY 42 -18.655 10.296 0.708
293 HA PRO 43 HA PRO 43 -19.390 5.894 1.908
294 HB2 PRO 43 1HB PRO 43 -21.843 5.754 0.753
295 HB3 PRO 43 2HB PRO 43 -21.589 6.343 2.400
296 HG2 PRO 43 1HG PRO 43 -21.974 7.897 -0.130
297 HG3 PRO 43 2HG PRO 43 -22.674 8.180 1.474
298 HD2 PRO 43 1HD PRO 43 -20.552 9.580 0.543
299 HD3 PRO 43 2HD PRO 43 -20.766 9.203 2.265
300 H SER 44 H SER 44 -19.603 4.036 0.537
301 HA SER 44 HA SER 44 -18.263 4.309 -1.949
302 HB2 SER 44 1HB SER 44 -18.058 2.298 -0.530
303 HB3 SER 44 2HB SER 44 -19.751 1.915 -0.840
304 HG SER 44 HG SER 44 -18.278 0.786 -2.223
305 H SER 45 H SER 45 -21.565 3.185 -1.199
306 HA SER 45 HA SER 45 -22.439 3.087 -3.869
307 HB2 SER 45 1HB SER 45 -23.565 1.972 -1.926
308 HB3 SER 45 2HB SER 45 -24.160 3.554 -1.425
309 HG SER 45 HG SER 45 -25.642 2.309 -2.740
310 H GLY 46 H GLY 46 -23.244 5.507 -1.366
311 HA2 GLY 46 1HA GLY 46 -22.735 7.782 -2.848
312 HA3 GLY 46 2HA GLY 46 -24.384 7.321 -3.245
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -7.179 -6.201 8.482
2 HA2 GLY 1 1HA GLY 1 -7.605 -7.761 10.782
3 HA3 GLY 1 2HA GLY 1 -7.870 -8.772 9.369
4 H SER 2 H SER 2 -5.978 -7.967 7.620
5 HA SER 2 HA SER 2 -3.708 -9.329 8.377
6 HB2 SER 2 1HB SER 2 -4.304 -7.325 6.249
7 HB3 SER 2 2HB SER 2 -2.616 -7.743 6.539
8 HG SER 2 HG SER 2 -3.468 -9.141 5.004
9 H SER 3 H SER 3 -1.567 -8.648 8.907
10 HA SER 3 HA SER 3 -1.561 -6.337 10.696
11 HB2 SER 3 1HB SER 3 0.065 -8.828 10.459
12 HB3 SER 3 2HB SER 3 0.826 -7.408 11.178
13 HG SER 3 HG SER 3 -0.540 -9.040 12.499
14 H GLY 4 H GLY 4 0.595 -7.755 8.227
15 HA2 GLY 4 1HA GLY 4 0.985 -5.605 6.616
16 HA3 GLY 4 2HA GLY 4 2.065 -5.287 7.966
17 H SER 5 H SER 5 3.903 -5.445 6.657
18 HA SER 5 HA SER 5 4.486 -8.150 5.645
19 HB2 SER 5 1HB SER 5 6.081 -7.095 4.105
20 HB3 SER 5 2HB SER 5 4.465 -6.421 3.891
21 HG SER 5 HG SER 5 5.189 -4.542 4.490
22 H SER 6 H SER 6 6.380 -9.154 6.210
23 HA SER 6 HA SER 6 7.459 -8.816 8.690
24 HB2 SER 6 1HB SER 6 7.844 -10.653 6.818
25 HB3 SER 6 2HB SER 6 9.313 -9.722 6.529
26 HG SER 6 HG SER 6 10.064 -10.861 8.129
27 H GLY 7 H GLY 7 9.817 -8.273 9.200
28 HA2 GLY 7 1HA GLY 7 10.228 -5.510 8.512
29 HA3 GLY 7 2HA GLY 7 11.214 -6.473 9.602
30 H SER 8 H SER 8 10.411 -6.684 6.134
31 HA SER 8 HA SER 8 13.301 -6.884 5.595
32 HB2 SER 8 1HB SER 8 11.988 -8.930 5.056
33 HB3 SER 8 2HB SER 8 11.029 -7.982 3.920
34 HG SER 8 HG SER 8 13.167 -7.468 2.944
35 H GLY 9 H GLY 9 13.438 -4.567 5.499
36 HA2 GLY 9 1HA GLY 9 12.394 -3.498 2.951
37 HA3 GLY 9 2HA GLY 9 12.397 -2.539 4.424
38 H GLU 10 H GLU 10 14.540 -4.252 2.175
39 HA GLU 10 HA GLU 10 16.919 -3.015 3.120
40 HB2 GLU 10 1HB GLU 10 16.178 -4.639 0.722
41 HB3 GLU 10 2HB GLU 10 17.708 -3.775 0.723
42 HG2 GLU 10 1HG GLU 10 16.916 -5.624 2.947
43 HG3 GLU 10 2HG GLU 10 17.738 -6.189 1.494
44 H ARG 11 H ARG 11 14.579 -2.237 0.620
45 HA ARG 11 HA ARG 11 15.865 -0.397 -0.919
46 HB2 ARG 11 1HB ARG 11 13.060 -0.626 0.059
47 HB3 ARG 11 2HB ARG 11 13.529 0.866 -0.745
48 HG2 ARG 11 1HG ARG 11 12.631 -0.486 -2.429
49 HG3 ARG 11 2HG ARG 11 14.380 -0.599 -2.636
50 HD2 ARG 11 1HD ARG 11 13.596 -2.804 -2.840
51 HD3 ARG 11 2HD ARG 11 14.253 -2.699 -1.207
52 HE ARG 11 HE ARG 11 12.156 -3.079 -0.382
53 HH11 ARG 11 1HH1 ARG 11 11.904 -2.132 -3.722
54 HH12 ARG 11 2HH1 ARG 11 10.205 -2.456 -3.822
55 HH21 ARG 11 1HH2 ARG 11 9.919 -3.509 -0.500
56 HH22 ARG 11 2HH2 ARG 11 9.077 -3.239 -1.988
57 HA PRO 12 HA PRO 12 17.019 3.095 1.472
58 HB2 PRO 12 1HB PRO 12 16.431 5.165 -0.184
59 HB3 PRO 12 2HB PRO 12 17.779 4.058 -0.471
60 HG2 PRO 12 1HG PRO 12 15.045 4.069 -1.690
61 HG3 PRO 12 2HG PRO 12 16.616 3.807 -2.469
62 HD2 PRO 12 1HD PRO 12 14.958 1.770 -1.814
63 HD3 PRO 12 2HD PRO 12 16.725 1.606 -1.795
64 H PHE 13 H PHE 13 13.781 3.206 0.072
65 HA PHE 13 HA PHE 13 12.901 4.782 2.401
66 HB2 PHE 13 1HB PHE 13 11.927 4.882 -0.455
67 HB3 PHE 13 2HB PHE 13 11.041 5.598 0.887
68 HD1 PHE 13 HD1 PHE 13 14.501 5.592 -0.512
69 HD2 PHE 13 HD2 PHE 13 11.354 7.833 1.274
70 HE1 PHE 13 HE1 PHE 13 15.843 7.643 -0.729
71 HE2 PHE 13 HE2 PHE 13 12.691 9.888 1.059
72 HZ PHE 13 HZ PHE 13 14.938 9.795 0.056
73 H LYS 14 H LYS 14 10.616 4.429 3.006
74 HA LYS 14 HA LYS 14 9.419 1.926 2.158
75 HB2 LYS 14 1HB LYS 14 10.976 1.218 3.921
76 HB3 LYS 14 2HB LYS 14 10.255 2.377 5.030
77 HG2 LYS 14 1HG LYS 14 8.058 1.111 4.581
78 HG3 LYS 14 2HG LYS 14 9.103 -0.164 3.950
79 HD2 LYS 14 1HD LYS 14 10.261 -0.317 6.065
80 HD3 LYS 14 2HD LYS 14 9.346 1.053 6.701
81 HE2 LYS 14 1HE LYS 14 8.218 -0.757 7.597
82 HE3 LYS 14 2HE LYS 14 7.271 -0.400 6.154
83 HZ1 LYS 14 3HZ LYS 14 9.388 -2.476 6.320
84 HZ2 LYS 14 1HZ LYS 14 8.388 -2.168 4.991
85 HZ3 LYS 14 2HZ LYS 14 7.727 -2.779 6.423
86 H CYS 15 H CYS 15 7.229 1.697 2.807
87 HA CYS 15 HA CYS 15 5.956 4.259 3.384
88 HB2 CYS 15 1HB CYS 15 5.060 3.121 1.477
89 HB3 CYS 15 2HB CYS 15 4.884 1.620 2.380
90 H ASN 16 H ASN 16 4.569 4.615 5.093
91 HA ASN 16 HA ASN 16 4.898 2.788 7.347
92 HB2 ASN 16 1HB ASN 16 4.170 5.671 7.052
93 HB3 ASN 16 2HB ASN 16 3.621 4.810 8.487
94 HD21 ASN 16 1HD2 ASN 16 6.018 6.676 7.278
95 HD22 ASN 16 2HD2 ASN 16 7.306 6.225 8.337
96 H GLU 17 H GLU 17 2.500 3.905 5.113
97 HA GLU 17 HA GLU 17 0.167 3.314 6.554
98 HB2 GLU 17 1HB GLU 17 0.508 3.034 3.568
99 HB3 GLU 17 2HB GLU 17 -0.979 3.360 4.447
100 HG2 GLU 17 1HG GLU 17 1.355 5.242 4.502
101 HG3 GLU 17 2HG GLU 17 0.115 5.309 3.252
102 H CYS 18 H CYS 18 1.815 1.339 4.080
103 HA CYS 18 HA CYS 18 0.618 -1.046 5.334
104 HB2 CYS 18 1HB CYS 18 0.671 -2.118 3.130
105 HB3 CYS 18 2HB CYS 18 -0.281 -0.637 3.086
106 H GLY 19 H GLY 19 3.448 0.200 3.590
107 HA2 GLY 19 1HA GLY 19 5.574 -0.378 4.863
108 HA3 GLY 19 2HA GLY 19 5.019 -2.037 4.702
109 H LYS 20 H LYS 20 4.234 -0.127 2.023
110 HA LYS 20 HA LYS 20 5.628 -1.634 0.175
111 HB2 LYS 20 1HB LYS 20 3.754 0.059 -0.219
112 HB3 LYS 20 2HB LYS 20 5.011 1.289 -0.228
113 HG2 LYS 20 1HG LYS 20 4.419 0.611 -2.486
114 HG3 LYS 20 2HG LYS 20 6.092 0.189 -2.113
115 HD2 LYS 20 1HD LYS 20 5.664 -2.060 -2.098
116 HD3 LYS 20 2HD LYS 20 3.983 -1.846 -1.604
117 HE2 LYS 20 1HE LYS 20 3.711 -2.498 -3.788
118 HE3 LYS 20 2HE LYS 20 3.753 -0.745 -3.971
119 HZ1 LYS 20 3HZ LYS 20 5.765 -0.805 -4.978
120 HZ2 LYS 20 1HZ LYS 20 5.241 -2.350 -5.427
121 HZ3 LYS 20 2HZ LYS 20 6.299 -2.163 -4.121
122 H GLY 21 H GLY 21 7.400 -0.927 -1.285
123 HA2 GLY 21 1HA GLY 21 9.388 0.757 0.093
124 HA3 GLY 21 2HA GLY 21 9.834 -0.841 -0.486
125 H PHE 22 H PHE 22 10.889 1.805 -1.216
126 HA PHE 22 HA PHE 22 10.756 1.448 -4.092
127 HB2 PHE 22 1HB PHE 22 10.057 4.099 -2.811
128 HB3 PHE 22 2HB PHE 22 10.250 3.813 -4.538
129 HD1 PHE 22 HD2 PHE 22 8.178 3.008 -1.590
130 HD2 PHE 22 HD1 PHE 22 8.493 2.928 -5.834
131 HE1 PHE 22 HE2 PHE 22 5.796 2.415 -1.752
132 HE2 PHE 22 HE1 PHE 22 6.111 2.336 -6.003
133 HZ PHE 22 HZ PHE 22 4.759 2.078 -3.961
134 H GLY 23 H GLY 23 12.378 2.814 -5.228
135 HA2 GLY 23 1HA GLY 23 14.823 2.875 -3.654
136 HA3 GLY 23 2HA GLY 23 14.700 3.047 -5.398
137 H ARG 24 H ARG 24 12.817 5.140 -5.491
138 HA ARG 24 HA ARG 24 14.471 7.346 -4.464
139 HB2 ARG 24 1HB ARG 24 12.498 7.360 -6.755
140 HB3 ARG 24 2HB ARG 24 13.519 8.703 -6.261
141 HG2 ARG 24 1HG ARG 24 15.489 7.148 -6.724
142 HG3 ARG 24 2HG ARG 24 14.320 6.125 -7.561
143 HD2 ARG 24 1HD ARG 24 15.036 7.412 -9.308
144 HD3 ARG 24 2HD ARG 24 13.689 8.396 -8.738
145 HE ARG 24 HE ARG 24 16.265 9.038 -7.588
146 HH11 ARG 24 1HH1 ARG 24 13.947 9.695 -10.100
147 HH12 ARG 24 2HH1 ARG 24 14.557 11.284 -10.428
148 HH21 ARG 24 1HH2 ARG 24 17.078 11.127 -8.009
149 HH22 ARG 24 2HH2 ARG 24 16.339 12.096 -9.238
150 H ARG 25 H ARG 25 13.435 9.226 -3.627
151 HA ARG 25 HA ARG 25 11.351 8.701 -1.831
152 HB2 ARG 25 1HB ARG 25 12.611 10.494 -1.148
153 HB3 ARG 25 2HB ARG 25 12.769 11.141 -2.775
154 HG2 ARG 25 1HG ARG 25 11.397 12.512 -1.184
155 HG3 ARG 25 2HG ARG 25 10.608 12.096 -2.706
156 HD2 ARG 25 1HD ARG 25 9.112 10.696 -1.708
157 HD3 ARG 25 2HD ARG 25 10.228 10.251 -0.416
158 HE ARG 25 HE ARG 25 8.415 12.518 -0.459
159 HH11 ARG 25 1HH1 ARG 25 11.105 10.930 1.076
160 HH12 ARG 25 2HH1 ARG 25 10.910 11.768 2.580
161 HH21 ARG 25 1HH2 ARG 25 8.148 13.628 1.515
162 HH22 ARG 25 2HH2 ARG 25 9.227 13.302 2.829
163 H SER 26 H SER 26 11.223 10.947 -4.603
164 HA SER 26 HA SER 26 8.534 11.424 -4.658
165 HB2 SER 26 1HB SER 26 9.836 12.667 -6.172
166 HB3 SER 26 2HB SER 26 10.550 11.220 -6.885
167 HG SER 26 HG SER 26 9.035 11.422 -8.320
168 H HIS 27 H HIS 27 10.215 8.553 -5.714
169 HA HIS 27 HA HIS 27 8.122 7.390 -7.213
170 HB2 HIS 27 1HB HIS 27 10.649 6.428 -5.972
171 HB3 HIS 27 2HB HIS 27 9.446 5.214 -6.398
172 HD1 HIS 27 HD1 HIS 27 11.105 4.319 -8.218
173 HD2 HIS 27 HD2 HIS 27 9.769 8.205 -8.832
174 HE1 HIS 27 HE1 HIS 27 11.700 4.866 -10.599
175 H LEU 28 H LEU 28 8.945 7.320 -3.792
176 HA LEU 28 HA LEU 28 6.844 5.422 -3.183
177 HB2 LEU 28 1HB LEU 28 8.649 5.112 -1.784
178 HB3 LEU 28 2HB LEU 28 8.956 6.840 -1.628
179 HG LEU 28 HG LEU 28 6.847 6.955 -0.231
180 HD11 LEU 28 1HD1 LEU 28 6.285 4.517 -1.132
181 HD12 LEU 28 2HD1 LEU 28 5.730 5.098 0.437
182 HD13 LEU 28 3HD1 LEU 28 7.155 4.064 0.334
183 HD21 LEU 28 3HD2 LEU 28 9.387 6.649 0.490
184 HD22 LEU 28 1HD2 LEU 28 8.745 5.145 1.152
185 HD23 LEU 28 2HD2 LEU 28 8.073 6.693 1.666
186 H ALA 29 H ALA 29 7.512 8.860 -2.625
187 HA ALA 29 HA ALA 29 5.458 9.650 -1.048
188 HB1 ALA 29 3HB ALA 29 6.921 10.927 -3.269
189 HB2 ALA 29 1HB ALA 29 5.406 11.693 -2.789
190 HB3 ALA 29 2HB ALA 29 6.691 11.458 -1.603
191 H GLY 30 H GLY 30 5.250 8.970 -4.523
192 HA2 GLY 30 1HA GLY 30 2.538 9.731 -4.820
193 HA3 GLY 30 2HA GLY 30 3.442 8.694 -5.913
194 H HIS 31 H HIS 31 4.074 6.717 -3.878
195 HA HIS 31 HA HIS 31 1.860 5.018 -4.195
196 HB2 HIS 31 1HB HIS 31 3.984 4.005 -3.884
197 HB3 HIS 31 2HB HIS 31 4.273 4.894 -2.391
198 HD1 HIS 31 HD1 HIS 31 2.163 2.067 -3.744
199 HD2 HIS 31 HD2 HIS 31 3.400 3.649 -0.107
200 HE1 HIS 31 HE1 HIS 31 1.429 0.406 -2.004
201 H LEU 32 H LEU 32 2.493 7.486 -1.918
202 HA LEU 32 HA LEU 32 0.608 6.426 0.039
203 HB2 LEU 32 1HB LEU 32 2.227 8.970 0.043
204 HB3 LEU 32 2HB LEU 32 1.224 8.393 1.373
205 HG LEU 32 HG LEU 32 3.245 7.690 2.126
206 HD11 LEU 32 1HD1 LEU 32 2.462 5.488 0.224
207 HD12 LEU 32 2HD1 LEU 32 1.962 5.672 1.905
208 HD13 LEU 32 3HD1 LEU 32 3.647 5.321 1.520
209 HD21 LEU 32 3HD2 LEU 32 4.065 8.306 -0.495
210 HD22 LEU 32 1HD2 LEU 32 4.629 6.669 -0.161
211 HD23 LEU 32 2HD2 LEU 32 5.079 7.993 0.915
212 H ARG 33 H ARG 33 0.680 8.541 -2.640
213 HA ARG 33 HA ARG 33 -1.337 10.369 -1.942
214 HB2 ARG 33 1HB ARG 33 -0.305 9.338 -4.571
215 HB3 ARG 33 2HB ARG 33 -1.657 10.461 -4.506
216 HG2 ARG 33 1HG ARG 33 -0.048 11.883 -3.033
217 HG3 ARG 33 2HG ARG 33 1.204 10.898 -3.793
218 HD2 ARG 33 1HD ARG 33 0.854 12.967 -5.030
219 HD3 ARG 33 2HD ARG 33 0.391 11.568 -5.999
220 HE ARG 33 HE ARG 33 -1.390 13.587 -4.881
221 HH11 ARG 33 1HH1 ARG 33 -1.001 10.590 -6.608
222 HH12 ARG 33 2HH1 ARG 33 -2.603 10.611 -7.267
223 HH21 ARG 33 1HH2 ARG 33 -3.501 13.626 -5.742
224 HH22 ARG 33 2HH2 ARG 33 -4.024 12.339 -6.775
225 H LEU 34 H LEU 34 -1.458 7.072 -3.064
226 HA LEU 34 HA LEU 34 -4.271 7.145 -3.690
227 HB2 LEU 34 1HB LEU 34 -4.015 4.701 -3.967
228 HB3 LEU 34 2HB LEU 34 -2.885 5.645 -4.935
229 HG LEU 34 HG LEU 34 -1.296 5.177 -2.864
230 HD11 LEU 34 1HD1 LEU 34 -1.762 2.703 -2.265
231 HD12 LEU 34 2HD1 LEU 34 -3.425 3.084 -2.710
232 HD13 LEU 34 3HD1 LEU 34 -2.633 3.976 -1.410
233 HD21 LEU 34 3HD2 LEU 34 -1.906 3.196 -5.055
234 HD22 LEU 34 1HD2 LEU 34 -0.432 3.229 -4.087
235 HD23 LEU 34 2HD2 LEU 34 -0.810 4.575 -5.163
236 H HIS 35 H HIS 35 -2.278 6.379 -0.946
237 HA HIS 35 HA HIS 35 -4.129 4.852 0.531
238 HB2 HIS 35 1HB HIS 35 -1.651 6.379 1.152
239 HB3 HIS 35 2HB HIS 35 -2.705 5.964 2.501
240 HD1 HIS 35 HD1 HIS 35 -3.449 3.206 2.271
241 HD2 HIS 35 HD2 HIS 35 0.229 4.484 0.821
242 HE1 HIS 35 HE1 HIS 35 -2.018 1.141 2.151
243 H SER 36 H SER 36 -3.672 8.307 0.150
244 HA SER 36 HA SER 36 -5.707 8.879 2.163
245 HB2 SER 36 1HB SER 36 -5.053 11.176 1.975
246 HB3 SER 36 2HB SER 36 -3.570 10.222 1.999
247 HG SER 36 HG SER 36 -4.281 10.417 -0.519
248 H ARG 37 H ARG 37 -6.568 7.487 -0.149
249 HA ARG 37 HA ARG 37 -7.914 9.450 -1.824
250 HB2 ARG 37 1HB ARG 37 -8.600 7.583 -3.183
251 HB3 ARG 37 2HB ARG 37 -6.890 7.408 -2.811
252 HG2 ARG 37 1HG ARG 37 -7.654 5.890 -0.897
253 HG3 ARG 37 2HG ARG 37 -9.212 5.859 -1.726
254 HD2 ARG 37 1HD ARG 37 -6.682 5.252 -3.207
255 HD3 ARG 37 2HD ARG 37 -7.467 4.011 -2.231
256 HE ARG 37 HE ARG 37 -9.254 5.309 -4.060
257 HH11 ARG 37 1HH1 ARG 37 -6.888 2.781 -3.703
258 HH12 ARG 37 2HH1 ARG 37 -7.511 1.833 -5.013
259 HH21 ARG 37 1HH2 ARG 37 -10.084 4.071 -5.787
260 HH22 ARG 37 2HH2 ARG 37 -9.328 2.569 -6.198
261 H GLU 38 H GLU 38 -8.706 6.943 0.541
262 HA GLU 38 HA GLU 38 -11.518 7.772 0.469
263 HB2 GLU 38 1HB GLU 38 -11.952 5.734 1.780
264 HB3 GLU 38 2HB GLU 38 -11.135 5.380 0.264
265 HG2 GLU 38 1HG GLU 38 -9.030 5.115 1.414
266 HG3 GLU 38 2HG GLU 38 -9.777 5.580 2.941
267 H LYS 39 H LYS 39 -8.737 7.509 2.606
268 HA LYS 39 HA LYS 39 -9.620 7.894 5.091
269 HB2 LYS 39 1HB LYS 39 -7.233 8.018 4.354
270 HB3 LYS 39 2HB LYS 39 -7.514 9.685 3.869
271 HG2 LYS 39 1HG LYS 39 -7.858 10.379 6.097
272 HG3 LYS 39 2HG LYS 39 -7.980 8.715 6.673
273 HD2 LYS 39 1HD LYS 39 -5.544 8.563 5.657
274 HD3 LYS 39 2HD LYS 39 -5.575 10.306 5.935
275 HE2 LYS 39 1HE LYS 39 -4.728 9.549 7.935
276 HE3 LYS 39 2HE LYS 39 -6.452 9.615 8.298
277 HZ1 LYS 39 3HZ LYS 39 -6.370 7.475 8.798
278 HZ2 LYS 39 1HZ LYS 39 -4.732 7.397 8.382
279 HZ3 LYS 39 2HZ LYS 39 -5.917 7.107 7.210
280 H SER 40 H SER 40 -10.267 9.619 6.439
281 HA SER 40 HA SER 40 -11.979 11.529 5.102
282 HB2 SER 40 1HB SER 40 -12.598 10.245 7.213
283 HB3 SER 40 2HB SER 40 -11.489 11.311 8.075
284 HG SER 40 HG SER 40 -13.588 12.292 6.450
285 H SER 41 H SER 41 -11.824 13.762 5.210
286 HA SER 41 HA SER 41 -9.678 15.060 6.610
287 HB2 SER 41 1HB SER 41 -8.690 14.058 4.429
288 HB3 SER 41 2HB SER 41 -9.581 15.345 3.617
289 HG SER 41 HG SER 41 -7.274 15.694 4.401
290 H GLY 42 H GLY 42 -10.849 16.667 7.448
291 HA2 GLY 42 1HA GLY 42 -11.941 18.708 7.461
292 HA3 GLY 42 2HA GLY 42 -11.970 18.662 5.704
293 HA PRO 43 HA PRO 43 -16.334 18.179 6.999
294 HB2 PRO 43 1HB PRO 43 -17.333 19.515 4.857
295 HB3 PRO 43 2HB PRO 43 -16.757 20.331 6.316
296 HG2 PRO 43 1HG PRO 43 -15.360 19.916 3.701
297 HG3 PRO 43 2HG PRO 43 -15.423 21.367 4.718
298 HD2 PRO 43 1HD PRO 43 -13.296 19.692 4.700
299 HD3 PRO 43 2HD PRO 43 -13.794 20.587 6.150
300 H SER 44 H SER 44 -16.752 16.057 6.640
301 HA SER 44 HA SER 44 -16.752 15.079 3.870
302 HB2 SER 44 1HB SER 44 -16.690 12.835 4.811
303 HB3 SER 44 2HB SER 44 -15.405 13.808 5.528
304 HG SER 44 HG SER 44 -17.939 13.300 6.706
305 H SER 45 H SER 45 -18.813 16.070 6.370
306 HA SER 45 HA SER 45 -21.050 15.747 6.816
307 HB2 SER 45 1HB SER 45 -21.055 17.412 5.021
308 HB3 SER 45 2HB SER 45 -21.065 16.129 3.811
309 HG SER 45 HG SER 45 -23.081 15.476 5.098
310 H GLY 46 H GLY 46 -19.916 13.287 6.852
311 HA2 GLY 46 1HA GLY 46 -21.518 11.556 5.114
312 HA3 GLY 46 2HA GLY 46 -20.166 11.049 6.116