Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505490 | 2yrm RC | 10306 | 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 2.683 -16.083 -10.619
2 HA2 GLY 1 1HA GLY 1 0.520 -16.911 -10.368
3 HA3 GLY 1 2HA GLY 1 0.337 -15.924 -8.925
4 H SER 2 H SER 2 -1.182 -16.387 -11.601
5 HA SER 2 HA SER 2 -1.521 -13.542 -12.282
6 HB2 SER 2 1HB SER 2 -2.575 -14.430 -14.401
7 HB3 SER 2 2HB SER 2 -0.854 -14.772 -14.228
8 HG SER 2 HG SER 2 -2.694 -16.650 -13.272
9 H SER 3 H SER 3 -3.723 -12.850 -12.819
10 HA SER 3 HA SER 3 -5.536 -13.073 -10.846
11 HB2 SER 3 1HB SER 3 -5.861 -12.571 -13.776
12 HB3 SER 3 2HB SER 3 -7.308 -12.755 -12.785
13 HG SER 3 HG SER 3 -5.281 -11.048 -11.887
14 H GLY 4 H GLY 4 -7.241 -14.372 -10.245
15 HA2 GLY 4 1HA GLY 4 -8.776 -16.160 -10.535
16 HA3 GLY 4 2HA GLY 4 -7.758 -16.790 -11.821
17 H SER 5 H SER 5 -8.419 -16.784 -8.440
18 HA SER 5 HA SER 5 -6.754 -19.128 -8.094
19 HB2 SER 5 1HB SER 5 -6.207 -16.531 -6.668
20 HB3 SER 5 2HB SER 5 -5.738 -18.082 -5.973
21 HG SER 5 HG SER 5 -4.185 -18.254 -7.395
22 H SER 6 H SER 6 -7.597 -20.515 -6.638
23 HA SER 6 HA SER 6 -10.209 -20.099 -5.665
24 HB2 SER 6 1HB SER 6 -9.174 -22.330 -6.190
25 HB3 SER 6 2HB SER 6 -8.240 -22.184 -4.701
26 HG SER 6 HG SER 6 -10.178 -22.147 -3.543
27 H GLY 7 H GLY 7 -10.962 -19.272 -3.813
28 HA2 GLY 7 1HA GLY 7 -11.014 -18.442 -1.666
29 HA3 GLY 7 2HA GLY 7 -9.504 -19.290 -1.365
30 H ASN 8 H ASN 8 -10.821 -16.355 -1.232
31 HA ASN 8 HA ASN 8 -8.909 -14.715 -2.542
32 HB2 ASN 8 1HB ASN 8 -11.024 -14.253 -0.468
33 HB3 ASN 8 2HB ASN 8 -9.853 -12.984 -0.814
34 HD21 ASN 8 1HD2 ASN 8 -12.781 -13.216 -1.283
35 HD22 ASN 8 2HD2 ASN 8 -12.992 -12.869 -2.963
36 H GLY 9 H GLY 9 -7.437 -13.205 -1.407
37 HA2 GLY 9 1HA GLY 9 -6.358 -12.863 0.866
38 HA3 GLY 9 2HA GLY 9 -6.098 -14.601 0.823
39 H ALA 10 H ALA 10 -5.528 -11.765 -1.266
40 HA ALA 10 HA ALA 10 -2.802 -12.786 -1.719
41 HB1 ALA 10 3HB ALA 10 -3.054 -12.804 -3.931
42 HB2 ALA 10 1HB ALA 10 -4.787 -12.645 -3.643
43 HB3 ALA 10 2HB ALA 10 -3.805 -11.208 -3.932
44 H PHE 11 H PHE 11 -3.543 -10.925 0.273
45 HA PHE 11 HA PHE 11 -2.194 -8.513 -0.741
46 HB2 PHE 11 1HB PHE 11 -4.328 -8.484 1.395
47 HB3 PHE 11 2HB PHE 11 -3.595 -7.101 0.589
48 HD1 PHE 11 2HD PHE 11 -4.119 -6.649 -1.796
49 HD2 PHE 11 1HD PHE 11 -6.165 -9.629 0.452
50 HE1 PHE 11 2HE PHE 11 -5.921 -6.670 -3.470
51 HE2 PHE 11 1HE PHE 11 -7.970 -9.655 -1.220
52 HZ PHE 11 HZ PHE 11 -7.850 -8.173 -3.183
53 H PHE 12 H PHE 12 -0.239 -8.468 0.142
54 HA PHE 12 HA PHE 12 0.013 -9.116 3.005
55 HB2 PHE 12 1HB PHE 12 2.489 -9.666 2.197
56 HB3 PHE 12 2HB PHE 12 1.210 -10.875 2.154
57 HD1 PHE 12 1HD PHE 12 3.221 -8.556 0.137
58 HD2 PHE 12 2HD PHE 12 0.358 -11.705 0.088
59 HE1 PHE 12 1HE PHE 12 3.588 -8.847 -2.279
60 HE2 PHE 12 2HE PHE 12 0.721 -12.001 -2.328
61 HZ PHE 12 HZ PHE 12 2.338 -10.572 -3.514
62 H CYS 13 H CYS 13 0.930 -7.604 4.248
63 HA CYS 13 HA CYS 13 1.339 -5.003 3.408
64 HB2 CYS 13 1HB CYS 13 1.060 -5.825 5.783
65 HB3 CYS 13 2HB CYS 13 2.763 -6.272 5.750
66 H ASN 14 H ASN 14 2.982 -3.880 2.534
67 HA ASN 14 HA ASN 14 5.229 -5.332 1.483
68 HB2 ASN 14 1HB ASN 14 5.613 -3.494 0.139
69 HB3 ASN 14 2HB ASN 14 3.891 -3.307 0.457
70 HD21 ASN 14 1HD2 ASN 14 3.183 -1.529 1.476
71 HD22 ASN 14 2HD2 ASN 14 4.203 -0.269 2.073
72 H GLU 15 H GLU 15 4.749 -2.774 3.890
73 HA GLU 15 HA GLU 15 7.469 -2.374 4.500
74 HB2 GLU 15 1HB GLU 15 5.059 -1.970 6.281
75 HB3 GLU 15 2HB GLU 15 6.659 -1.291 6.547
76 HG2 GLU 15 1HG GLU 15 6.397 -0.139 4.313
77 HG3 GLU 15 2HG GLU 15 4.704 -0.626 4.370
78 H CYS 16 H CYS 16 4.988 -4.332 6.141
79 HA CYS 16 HA CYS 16 7.168 -5.860 7.406
80 HB2 CYS 16 1HB CYS 16 5.926 -6.095 9.369
81 HB3 CYS 16 2HB CYS 16 5.585 -4.436 8.886
82 H ASP 17 H ASP 17 6.109 -8.069 8.247
83 HA ASP 17 HA ASP 17 5.022 -9.330 5.833
84 HB2 ASP 17 1HB ASP 17 5.720 -11.468 7.011
85 HB3 ASP 17 2HB ASP 17 7.029 -10.392 6.530
86 H CYS 18 H CYS 18 2.898 -9.607 5.789
87 HA CYS 18 HA CYS 18 1.533 -10.898 7.959
88 HB2 CYS 18 1HB CYS 18 1.214 -7.977 7.473
89 HB3 CYS 18 2HB CYS 18 -0.233 -8.904 7.848
90 HG CYS 18 HG CYS 18 2.518 -8.466 9.823
91 H ARG 19 H ARG 19 -0.998 -10.763 7.387
92 HA ARG 19 HA ARG 19 -1.420 -10.866 4.507
93 HB2 ARG 19 1HB ARG 19 -1.656 -13.237 6.343
94 HB3 ARG 19 2HB ARG 19 -2.582 -13.138 4.852
95 HG2 ARG 19 1HG ARG 19 0.384 -12.770 4.817
96 HG3 ARG 19 2HG ARG 19 -0.325 -14.386 4.858
97 HD2 ARG 19 1HD ARG 19 -1.345 -12.432 2.858
98 HD3 ARG 19 2HD ARG 19 0.228 -13.176 2.578
99 HE ARG 19 HE ARG 19 -2.337 -14.429 2.354
100 HH11 ARG 19 1HH1 ARG 19 1.037 -14.973 3.016
101 HH12 ARG 19 2HH1 ARG 19 0.999 -16.635 2.528
102 HH21 ARG 19 1HH2 ARG 19 -2.400 -16.616 1.708
103 HH22 ARG 19 2HH2 ARG 19 -0.957 -17.568 1.783
104 H PHE 20 H PHE 20 -3.588 -10.683 3.888
105 HA PHE 20 HA PHE 20 -5.595 -10.424 5.992
106 HB2 PHE 20 1HB PHE 20 -4.974 -8.226 4.007
107 HB3 PHE 20 2HB PHE 20 -6.356 -8.242 5.097
108 HD1 PHE 20 1HD PHE 20 -2.671 -8.093 4.948
109 HD2 PHE 20 2HD PHE 20 -6.148 -7.562 7.344
110 HE1 PHE 20 1HE PHE 20 -1.305 -7.009 6.683
111 HE2 PHE 20 2HE PHE 20 -4.788 -6.477 9.083
112 HZ PHE 20 HZ PHE 20 -2.364 -6.198 8.754
113 H SER 21 H SER 21 -7.592 -11.058 5.373
114 HA SER 21 HA SER 21 -7.881 -12.457 2.919
115 HB2 SER 21 1HB SER 21 -9.128 -13.312 4.734
116 HB3 SER 21 2HB SER 21 -9.798 -11.728 5.128
117 HG SER 21 HG SER 21 -10.732 -13.605 3.424
118 H GLU 22 H GLU 22 -9.125 -9.366 4.119
119 HA GLU 22 HA GLU 22 -10.166 -8.789 1.431
120 HB2 GLU 22 1HB GLU 22 -10.767 -7.401 4.049
121 HB3 GLU 22 2HB GLU 22 -11.506 -7.036 2.496
122 HG2 GLU 22 1HG GLU 22 -12.717 -9.024 2.466
123 HG3 GLU 22 2HG GLU 22 -11.698 -9.772 3.694
124 H GLU 23 H GLU 23 -9.931 -6.532 0.672
125 HA GLU 23 HA GLU 23 -7.190 -5.713 0.886
126 HB2 GLU 23 1HB GLU 23 -8.446 -5.612 -1.244
127 HB3 GLU 23 2HB GLU 23 -9.489 -4.378 -0.552
128 HG2 GLU 23 1HG GLU 23 -7.838 -3.351 -1.962
129 HG3 GLU 23 2HG GLU 23 -7.542 -2.907 -0.282
130 H ALA 24 H ALA 24 -10.311 -4.412 1.914
131 HA ALA 24 HA ALA 24 -9.425 -1.930 2.858
132 HB1 ALA 24 3HB ALA 24 -11.681 -1.915 2.824
133 HB2 ALA 24 1HB ALA 24 -11.808 -3.621 3.254
134 HB3 ALA 24 2HB ALA 24 -11.493 -2.417 4.504
135 H SER 25 H SER 25 -9.516 -5.101 4.395
136 HA SER 25 HA SER 25 -8.943 -4.310 7.019
137 HB2 SER 25 1HB SER 25 -9.654 -6.619 6.195
138 HB3 SER 25 2HB SER 25 -7.963 -6.877 5.766
139 HG SER 25 HG SER 25 -9.170 -6.921 8.216
140 H LEU 26 H LEU 26 -6.760 -5.263 4.382
141 HA LEU 26 HA LEU 26 -4.361 -5.011 5.817
142 HB2 LEU 26 1HB LEU 26 -4.755 -6.090 3.548
143 HB3 LEU 26 2HB LEU 26 -4.666 -4.463 2.877
144 HG LEU 26 HG LEU 26 -2.407 -5.461 4.551
145 HD11 LEU 26 1HD1 LEU 26 -3.220 -7.109 2.632
146 HD12 LEU 26 2HD1 LEU 26 -1.514 -6.823 2.971
147 HD13 LEU 26 3HD1 LEU 26 -2.300 -5.981 1.636
148 HD21 LEU 26 3HD2 LEU 26 -2.803 -3.505 2.313
149 HD22 LEU 26 1HD2 LEU 26 -1.199 -4.107 2.733
150 HD23 LEU 26 2HD2 LEU 26 -2.152 -3.229 3.929
151 H LYS 27 H LYS 27 -5.685 -2.746 3.396
152 HA LYS 27 HA LYS 27 -4.041 -0.652 3.534
153 HB2 LYS 27 1HB LYS 27 -7.040 -0.711 3.488
154 HB3 LYS 27 2HB LYS 27 -6.189 0.828 3.511
155 HG2 LYS 27 1HG LYS 27 -4.978 0.156 1.471
156 HG3 LYS 27 2HG LYS 27 -5.923 -1.335 1.433
157 HD2 LYS 27 1HD LYS 27 -7.852 -0.257 0.822
158 HD3 LYS 27 2HD LYS 27 -7.375 1.260 1.589
159 HE2 LYS 27 1HE LYS 27 -5.829 1.734 -0.185
160 HE3 LYS 27 2HE LYS 27 -6.091 0.145 -0.900
161 HZ1 LYS 27 3HZ LYS 27 -8.079 2.342 -0.701
162 HZ2 LYS 27 1HZ LYS 27 -8.422 0.789 -1.279
163 HZ3 LYS 27 2HZ LYS 27 -7.332 1.779 -2.111
164 H ARG 28 H ARG 28 -6.636 -1.176 5.920
165 HA ARG 28 HA ARG 28 -6.124 0.991 7.567
166 HB2 ARG 28 1HB ARG 28 -8.100 -0.355 7.874
167 HB3 ARG 28 2HB ARG 28 -7.131 -1.769 8.268
168 HG2 ARG 28 1HG ARG 28 -7.994 -0.948 10.304
169 HG3 ARG 28 2HG ARG 28 -6.287 -0.500 10.268
170 HD2 ARG 28 1HD ARG 28 -7.311 1.448 10.995
171 HD3 ARG 28 2HD ARG 28 -7.137 1.724 9.262
172 HE ARG 28 HE ARG 28 -9.603 0.647 9.456
173 HH11 ARG 28 1HH1 ARG 28 -8.027 3.285 11.092
174 HH12 ARG 28 2HH1 ARG 28 -9.491 4.178 11.339
175 HH21 ARG 28 1HH2 ARG 28 -11.537 1.813 9.776
176 HH22 ARG 28 2HH2 ARG 28 -11.487 3.339 10.591
177 H HIS 29 H HIS 29 -4.933 -2.343 8.024
178 HA HIS 29 HA HIS 29 -3.320 -1.972 10.203
179 HB2 HIS 29 1HB HIS 29 -3.453 -4.182 9.524
180 HB3 HIS 29 2HB HIS 29 -3.147 -3.792 7.835
181 HD1 HIS 29 1HD HIS 29 -1.506 -4.978 10.865
182 HD2 HIS 29 2HD HIS 29 -0.343 -3.173 7.308
183 HE1 HIS 29 1HE HIS 29 0.974 -5.358 10.698
184 H THR 30 H THR 30 -2.397 -1.510 6.799
185 HA THR 30 HA THR 30 0.252 -0.813 7.128
186 HB THR 30 HB THR 30 -1.671 0.408 5.137
187 HG1 THR 30 1HG THR 30 0.070 -1.760 4.627
188 HG21 THR 30 3HG2 THR 30 0.318 0.763 3.761
189 HG22 THR 30 1HG2 THR 30 1.334 0.107 5.044
190 HG23 THR 30 2HG2 THR 30 0.458 1.617 5.297
191 H LEU 31 H LEU 31 -2.610 1.267 7.357
192 HA LEU 31 HA LEU 31 -1.115 3.652 7.838
193 HB2 LEU 31 1HB LEU 31 -3.978 2.864 7.901
194 HB3 LEU 31 2HB LEU 31 -3.508 4.325 8.765
195 HG LEU 31 HG LEU 31 -2.750 3.963 5.892
196 HD11 LEU 31 1HD1 LEU 31 -4.790 4.509 5.078
197 HD12 LEU 31 2HD1 LEU 31 -5.241 5.428 6.513
198 HD13 LEU 31 3HD1 LEU 31 -5.324 3.667 6.533
199 HD21 LEU 31 3HD2 LEU 31 -3.103 6.492 6.030
200 HD22 LEU 31 1HD2 LEU 31 -1.701 5.816 6.861
201 HD23 LEU 31 2HD2 LEU 31 -3.139 6.264 7.779
202 H GLN 32 H GLN 32 -3.330 1.848 9.981
203 HA GLN 32 HA GLN 32 -2.695 3.103 12.349
204 HB2 GLN 32 1HB GLN 32 -4.543 1.506 12.107
205 HB3 GLN 32 2HB GLN 32 -3.391 0.187 11.956
206 HG2 GLN 32 1HG GLN 32 -3.938 -0.015 14.152
207 HG3 GLN 32 2HG GLN 32 -2.562 1.079 14.283
208 HE21 GLN 32 1HE2 GLN 32 -4.289 0.983 16.330
209 HE22 GLN 32 2HE2 GLN 32 -5.251 2.416 16.392
210 H THR 33 H THR 33 -1.317 0.006 11.231
211 HA THR 33 HA THR 33 0.647 -0.158 13.235
212 HB THR 33 HB THR 33 0.784 -1.370 10.468
213 HG1 THR 33 1HG THR 33 -1.160 -1.910 11.613
214 HG21 THR 33 3HG2 THR 33 2.895 -1.598 11.529
215 HG22 THR 33 1HG2 THR 33 2.074 -3.145 11.732
216 HG23 THR 33 2HG2 THR 33 2.153 -2.005 13.076
217 H HIS 34 H HIS 34 0.933 0.866 9.831
218 HA HIS 34 HA HIS 34 3.444 2.229 10.551
219 HB2 HIS 34 1HB HIS 34 2.662 1.459 7.747
220 HB3 HIS 34 2HB HIS 34 4.261 1.860 8.366
221 HD1 HIS 34 1HD HIS 34 5.633 -0.021 9.378
222 HD2 HIS 34 2HD HIS 34 1.764 -1.167 8.387
223 HE1 HIS 34 1HE HIS 34 5.597 -2.526 9.599
224 H SER 35 H SER 35 2.131 4.035 11.281
225 HA SER 35 HA SER 35 0.336 5.450 9.679
226 HB2 SER 35 1HB SER 35 0.832 5.742 12.181
227 HB3 SER 35 2HB SER 35 2.169 6.775 11.674
228 HG SER 35 HG SER 35 -0.213 7.581 12.052
229 H ASP 36 H ASP 36 0.535 7.026 8.165
230 HA ASP 36 HA ASP 36 2.606 7.136 6.417
231 HB2 ASP 36 1HB ASP 36 0.376 8.232 6.124
232 HB3 ASP 36 2HB ASP 36 0.932 9.542 7.163
233 H LYS 37 H LYS 37 2.255 9.063 9.358
234 HA LYS 37 HA LYS 37 5.019 10.016 8.987
235 HB2 LYS 37 1HB LYS 37 2.662 11.276 10.382
236 HB3 LYS 37 2HB LYS 37 4.312 11.822 10.648
237 HG2 LYS 37 1HG LYS 37 4.346 11.987 8.031
238 HG3 LYS 37 2HG LYS 37 2.595 12.077 8.233
239 HD2 LYS 37 1HD LYS 37 4.331 13.811 9.926
240 HD3 LYS 37 2HD LYS 37 4.074 14.253 8.237
241 HE2 LYS 37 1HE LYS 37 2.402 15.383 9.454
242 HE3 LYS 37 2HE LYS 37 1.594 14.011 8.696
243 HZ1 LYS 37 3HZ LYS 37 1.056 14.435 11.105
244 HZ2 LYS 37 1HZ LYS 37 2.622 13.910 11.471
245 HZ3 LYS 37 2HZ LYS 37 1.531 12.856 10.725
246 H SER 38 H SER 38 5.807 8.040 9.923
247 HA SER 38 HA SER 38 5.581 8.030 12.859
248 HB2 SER 38 1HB SER 38 5.686 5.602 12.867
249 HB3 SER 38 2HB SER 38 4.339 6.121 11.854
250 HG SER 38 HG SER 38 6.913 5.345 10.935
251 H GLY 39 H GLY 39 7.553 6.962 10.095
252 HA2 GLY 39 1HA GLY 39 9.887 6.279 11.369
253 HA3 GLY 39 2HA GLY 39 9.831 7.029 9.781
254 HA PRO 40 HA PRO 40 11.729 10.674 11.291
255 HB2 PRO 40 1HB PRO 40 10.344 12.666 10.073
256 HB3 PRO 40 2HB PRO 40 11.455 11.599 9.206
257 HG2 PRO 40 1HG PRO 40 8.470 11.473 9.398
258 HG3 PRO 40 2HG PRO 40 9.511 11.242 7.981
259 HD2 PRO 40 1HD PRO 40 8.443 9.169 9.358
260 HD3 PRO 40 2HD PRO 40 10.023 9.069 8.555
261 H SER 41 H SER 41 8.466 10.055 12.024
262 HA SER 41 HA SER 41 8.043 12.413 13.638
263 HB2 SER 41 1HB SER 41 6.220 11.127 12.401
264 HB3 SER 41 2HB SER 41 6.370 9.899 13.657
265 HG SER 41 HG SER 41 4.758 11.712 13.907
266 H SER 42 H SER 42 9.445 12.504 15.321
267 HA SER 42 HA SER 42 10.237 10.252 16.859
268 HB2 SER 42 1HB SER 42 10.539 13.222 17.148
269 HB3 SER 42 2HB SER 42 10.953 12.168 18.500
270 HG SER 42 HG SER 42 12.372 12.698 16.297
271 H GLY 43 H GLY 43 8.247 9.259 17.445
272 HA2 GLY 43 1HA GLY 43 7.371 9.604 20.001
273 HA3 GLY 43 2HA GLY 43 6.335 10.673 19.066
Start of MODEL 2
1 H1 GLY 1 H GLY 1 9.476 -27.528 9.891
2 HA2 GLY 1 1HA GLY 1 9.597 -27.522 6.995
3 HA3 GLY 1 2HA GLY 1 8.868 -28.759 8.009
4 H SER 2 H SER 2 8.383 -25.433 6.864
5 HA SER 2 HA SER 2 5.779 -25.019 7.625
6 HB2 SER 2 1HB SER 2 7.046 -24.190 5.002
7 HB3 SER 2 2HB SER 2 5.594 -23.482 5.708
8 HG SER 2 HG SER 2 7.150 -23.179 7.615
9 H SER 3 H SER 3 3.995 -26.157 7.313
10 HA SER 3 HA SER 3 3.840 -28.203 5.308
11 HB2 SER 3 1HB SER 3 2.781 -28.170 7.687
12 HB3 SER 3 2HB SER 3 1.484 -27.256 6.917
13 HG SER 3 HG SER 3 2.276 -29.916 6.519
14 H GLY 4 H GLY 4 1.845 -28.373 3.903
15 HA2 GLY 4 1HA GLY 4 1.018 -25.733 2.887
16 HA3 GLY 4 2HA GLY 4 1.651 -26.944 1.783
17 H SER 5 H SER 5 -1.116 -25.653 3.111
18 HA SER 5 HA SER 5 -2.686 -27.976 2.218
19 HB2 SER 5 1HB SER 5 -4.246 -27.692 4.031
20 HB3 SER 5 2HB SER 5 -2.628 -27.795 4.724
21 HG SER 5 HG SER 5 -2.636 -25.600 5.046
22 H SER 6 H SER 6 -2.701 -24.496 2.897
23 HA SER 6 HA SER 6 -3.909 -23.828 0.440
24 HB2 SER 6 1HB SER 6 -5.953 -24.726 1.322
25 HB3 SER 6 2HB SER 6 -5.733 -23.877 2.852
26 HG SER 6 HG SER 6 -5.816 -22.354 0.514
27 H GLY 7 H GLY 7 -3.802 -21.644 0.042
28 HA2 GLY 7 1HA GLY 7 -3.346 -19.800 2.250
29 HA3 GLY 7 2HA GLY 7 -1.999 -20.022 1.142
30 H ASN 8 H ASN 8 -5.436 -19.142 1.240
31 HA ASN 8 HA ASN 8 -5.268 -17.842 -1.339
32 HB2 ASN 8 1HB ASN 8 -7.570 -17.705 0.609
33 HB3 ASN 8 2HB ASN 8 -7.613 -17.463 -1.135
34 HD21 ASN 8 1HD2 ASN 8 -7.871 -19.175 -2.450
35 HD22 ASN 8 2HD2 ASN 8 -8.036 -20.807 -1.906
36 H GLY 9 H GLY 9 -6.458 -15.570 -1.362
37 HA2 GLY 9 1HA GLY 9 -6.550 -13.370 -0.609
38 HA3 GLY 9 2HA GLY 9 -5.762 -13.874 0.878
39 H ALA 10 H ALA 10 -5.375 -12.332 -2.108
40 HA ALA 10 HA ALA 10 -2.448 -12.506 -1.971
41 HB1 ALA 10 3HB ALA 10 -4.021 -11.243 -4.196
42 HB2 ALA 10 1HB ALA 10 -2.366 -11.853 -4.224
43 HB3 ALA 10 2HB ALA 10 -3.720 -12.980 -4.127
44 H PHE 11 H PHE 11 -3.696 -10.995 0.014
45 HA PHE 11 HA PHE 11 -2.851 -8.278 -0.741
46 HB2 PHE 11 1HB PHE 11 -5.119 -8.938 1.148
47 HB3 PHE 11 2HB PHE 11 -4.607 -7.332 0.637
48 HD1 PHE 11 2HD PHE 11 -4.388 -7.359 -2.156
49 HD2 PHE 11 1HD PHE 11 -7.148 -9.509 0.268
50 HE1 PHE 11 2HE PHE 11 -5.962 -7.459 -4.044
51 HE2 PHE 11 1HE PHE 11 -8.727 -9.614 -1.617
52 HZ PHE 11 HZ PHE 11 -8.135 -8.587 -3.776
53 H PHE 12 H PHE 12 -0.793 -8.681 0.142
54 HA PHE 12 HA PHE 12 -0.754 -8.881 3.082
55 HB2 PHE 12 1HB PHE 12 1.556 -9.840 2.800
56 HB3 PHE 12 2HB PHE 12 0.258 -10.865 2.198
57 HD1 PHE 12 2HD PHE 12 -0.032 -11.245 -0.175
58 HD2 PHE 12 1HD PHE 12 3.122 -8.793 1.294
59 HE1 PHE 12 2HE PHE 12 1.078 -11.366 -2.367
60 HE2 PHE 12 1HE PHE 12 4.237 -8.909 -0.897
61 HZ PHE 12 HZ PHE 12 3.216 -10.198 -2.730
62 H CYS 13 H CYS 13 0.801 -7.629 4.201
63 HA CYS 13 HA CYS 13 1.193 -5.034 3.120
64 HB2 CYS 13 1HB CYS 13 0.872 -5.505 5.542
65 HB3 CYS 13 2HB CYS 13 2.465 -6.253 5.579
66 H ASN 14 H ASN 14 3.143 -3.955 2.637
67 HA ASN 14 HA ASN 14 5.200 -5.731 1.558
68 HB2 ASN 14 1HB ASN 14 6.006 -3.496 0.525
69 HB3 ASN 14 2HB ASN 14 4.528 -4.223 -0.100
70 HD21 ASN 14 1HD2 ASN 14 2.506 -3.357 0.594
71 HD22 ASN 14 2HD2 ASN 14 2.394 -1.709 1.101
72 H GLU 15 H GLU 15 4.887 -2.858 3.620
73 HA GLU 15 HA GLU 15 7.601 -2.566 4.250
74 HB2 GLU 15 1HB GLU 15 5.216 -1.880 5.977
75 HB3 GLU 15 2HB GLU 15 6.843 -1.240 6.160
76 HG2 GLU 15 1HG GLU 15 6.629 -0.268 3.869
77 HG3 GLU 15 2HG GLU 15 4.937 -0.759 3.886
78 H CYS 16 H CYS 16 5.026 -4.354 5.915
79 HA CYS 16 HA CYS 16 7.118 -5.794 7.410
80 HB2 CYS 16 1HB CYS 16 5.806 -5.834 9.341
81 HB3 CYS 16 2HB CYS 16 5.533 -4.212 8.714
82 H ASP 17 H ASP 17 6.145 -7.940 8.309
83 HA ASP 17 HA ASP 17 5.001 -9.339 6.006
84 HB2 ASP 17 1HB ASP 17 6.339 -10.414 8.499
85 HB3 ASP 17 2HB ASP 17 5.752 -11.396 7.160
86 H CYS 18 H CYS 18 2.831 -9.211 6.062
87 HA CYS 18 HA CYS 18 1.446 -10.571 8.194
88 HB2 CYS 18 1HB CYS 18 1.281 -7.610 7.837
89 HB3 CYS 18 2HB CYS 18 -0.177 -8.484 8.290
90 HG CYS 18 HG CYS 18 1.646 -7.218 10.379
91 H ARG 19 H ARG 19 -0.196 -11.693 7.365
92 HA ARG 19 HA ARG 19 -1.014 -11.113 4.616
93 HB2 ARG 19 1HB ARG 19 -0.221 -13.414 5.318
94 HB3 ARG 19 2HB ARG 19 -1.700 -13.548 6.260
95 HG2 ARG 19 1HG ARG 19 -3.032 -13.728 4.406
96 HG3 ARG 19 2HG ARG 19 -1.897 -12.854 3.374
97 HD2 ARG 19 1HD ARG 19 -1.861 -15.140 2.704
98 HD3 ARG 19 2HD ARG 19 -0.354 -14.815 3.559
99 HE ARG 19 HE ARG 19 -0.966 -16.368 5.111
100 HH11 ARG 19 1HH1 ARG 19 -3.813 -15.323 3.402
101 HH12 ARG 19 2HH1 ARG 19 -4.856 -16.473 4.171
102 HH21 ARG 19 1HH2 ARG 19 -2.329 -17.886 6.131
103 HH22 ARG 19 2HH2 ARG 19 -4.011 -17.930 5.724
104 H PHE 20 H PHE 20 -3.215 -11.030 4.007
105 HA PHE 20 HA PHE 20 -5.187 -10.778 6.148
106 HB2 PHE 20 1HB PHE 20 -4.878 -8.638 4.037
107 HB3 PHE 20 2HB PHE 20 -5.968 -8.626 5.419
108 HD1 PHE 20 2HD PHE 20 -4.892 -8.644 7.753
109 HD2 PHE 20 1HD PHE 20 -2.789 -7.651 4.188
110 HE1 PHE 20 2HE PHE 20 -3.188 -7.474 9.087
111 HE2 PHE 20 1HE PHE 20 -1.081 -6.481 5.517
112 HZ PHE 20 HZ PHE 20 -1.280 -6.391 7.970
113 H SER 21 H SER 21 -7.433 -10.413 5.153
114 HA SER 21 HA SER 21 -7.655 -12.108 2.753
115 HB2 SER 21 1HB SER 21 -9.687 -11.747 4.969
116 HB3 SER 21 2HB SER 21 -9.824 -12.844 3.594
117 HG SER 21 HG SER 21 -7.971 -13.936 4.400
118 H GLU 22 H GLU 22 -9.069 -9.338 4.452
119 HA GLU 22 HA GLU 22 -10.547 -8.585 2.048
120 HB2 GLU 22 1HB GLU 22 -10.564 -7.531 4.874
121 HB3 GLU 22 2HB GLU 22 -11.442 -6.757 3.563
122 HG2 GLU 22 1HG GLU 22 -12.396 -9.207 3.253
123 HG3 GLU 22 2HG GLU 22 -11.980 -9.311 4.963
124 H GLU 23 H GLU 23 -9.831 -7.112 0.660
125 HA GLU 23 HA GLU 23 -7.324 -6.031 0.619
126 HB2 GLU 23 1HB GLU 23 -8.980 -6.026 -1.262
127 HB3 GLU 23 2HB GLU 23 -9.770 -4.654 -0.497
128 HG2 GLU 23 1HG GLU 23 -6.859 -4.490 -1.091
129 HG3 GLU 23 2HG GLU 23 -8.018 -4.313 -2.408
130 H ALA 24 H ALA 24 -10.247 -4.546 1.966
131 HA ALA 24 HA ALA 24 -9.243 -2.054 2.633
132 HB1 ALA 24 3HB ALA 24 -10.936 -2.497 4.692
133 HB2 ALA 24 1HB ALA 24 -11.450 -2.044 3.067
134 HB3 ALA 24 2HB ALA 24 -11.469 -3.738 3.558
135 H SER 25 H SER 25 -9.231 -5.021 4.598
136 HA SER 25 HA SER 25 -8.104 -4.085 6.915
137 HB2 SER 25 1HB SER 25 -7.703 -6.723 5.500
138 HB3 SER 25 2HB SER 25 -7.063 -6.398 7.111
139 HG SER 25 HG SER 25 -9.128 -6.166 7.877
140 H LEU 26 H LEU 26 -6.413 -5.095 3.965
141 HA LEU 26 HA LEU 26 -3.795 -4.845 4.852
142 HB2 LEU 26 1HB LEU 26 -4.165 -5.844 2.753
143 HB3 LEU 26 2HB LEU 26 -5.055 -4.444 2.156
144 HG LEU 26 HG LEU 26 -2.840 -3.184 2.306
145 HD11 LEU 26 1HD1 LEU 26 -1.994 -5.503 3.537
146 HD12 LEU 26 2HD1 LEU 26 -0.964 -4.216 2.913
147 HD13 LEU 26 3HD1 LEU 26 -1.319 -5.624 1.912
148 HD21 LEU 26 3HD2 LEU 26 -3.809 -3.801 0.188
149 HD22 LEU 26 1HD2 LEU 26 -3.201 -5.449 0.348
150 HD23 LEU 26 2HD2 LEU 26 -2.072 -4.110 0.141
151 H LYS 27 H LYS 27 -5.851 -2.387 3.307
152 HA LYS 27 HA LYS 27 -3.982 -0.298 3.359
153 HB2 LYS 27 1HB LYS 27 -6.998 -0.301 3.351
154 HB3 LYS 27 2HB LYS 27 -6.053 1.180 3.269
155 HG2 LYS 27 1HG LYS 27 -4.925 0.194 1.234
156 HG3 LYS 27 2HG LYS 27 -6.171 -1.056 1.268
157 HD2 LYS 27 1HD LYS 27 -6.876 1.863 1.278
158 HD3 LYS 27 2HD LYS 27 -6.558 0.996 -0.227
159 HE2 LYS 27 1HE LYS 27 -8.379 -0.460 0.110
160 HE3 LYS 27 2HE LYS 27 -8.541 0.006 1.802
161 HZ1 LYS 27 3HZ LYS 27 -9.707 1.190 -0.507
162 HZ2 LYS 27 1HZ LYS 27 -8.838 2.336 0.384
163 HZ3 LYS 27 2HZ LYS 27 -10.068 1.444 1.126
164 H ARG 28 H ARG 28 -6.755 -0.802 5.553
165 HA ARG 28 HA ARG 28 -6.235 1.174 7.380
166 HB2 ARG 28 1HB ARG 28 -7.551 -1.491 7.548
167 HB3 ARG 28 2HB ARG 28 -7.195 -0.662 9.057
168 HG2 ARG 28 1HG ARG 28 -9.363 -0.003 8.568
169 HG3 ARG 28 2HG ARG 28 -8.385 1.350 7.996
170 HD2 ARG 28 1HD ARG 28 -8.470 0.378 5.715
171 HD3 ARG 28 2HD ARG 28 -9.556 -0.870 6.325
172 HE ARG 28 HE ARG 28 -10.685 1.565 7.002
173 HH11 ARG 28 1HH1 ARG 28 -9.817 -0.151 4.100
174 HH12 ARG 28 2HH1 ARG 28 -11.064 0.575 3.142
175 HH21 ARG 28 1HH2 ARG 28 -12.331 2.528 5.751
176 HH22 ARG 28 2HH2 ARG 28 -12.493 2.100 4.082
177 H HIS 29 H HIS 29 -5.121 -2.206 7.638
178 HA HIS 29 HA HIS 29 -3.662 -2.158 9.908
179 HB2 HIS 29 1HB HIS 29 -3.577 -4.213 8.874
180 HB3 HIS 29 2HB HIS 29 -3.239 -3.523 7.290
181 HD1 HIS 29 1HD HIS 29 -1.605 -4.922 10.288
182 HD2 HIS 29 2HD HIS 29 -0.489 -2.857 6.859
183 HE1 HIS 29 1HE HIS 29 0.892 -5.174 10.134
184 H THR 30 H THR 30 -2.299 -1.264 6.733
185 HA THR 30 HA THR 30 0.202 -0.470 7.460
186 HB THR 30 HB THR 30 -1.591 0.935 5.470
187 HG1 THR 30 1HG THR 30 0.271 -1.209 5.214
188 HG21 THR 30 3HG2 THR 30 0.166 2.166 4.755
189 HG22 THR 30 1HG2 THR 30 1.332 0.884 5.081
190 HG23 THR 30 2HG2 THR 30 0.757 1.909 6.396
191 H LEU 31 H LEU 31 -2.646 1.679 7.378
192 HA LEU 31 HA LEU 31 -1.321 3.885 8.548
193 HB2 LEU 31 1HB LEU 31 -4.137 3.141 7.976
194 HB3 LEU 31 2HB LEU 31 -3.854 4.438 9.135
195 HG LEU 31 HG LEU 31 -2.743 4.449 6.335
196 HD11 LEU 31 1HD1 LEU 31 -5.177 5.937 7.283
197 HD12 LEU 31 2HD1 LEU 31 -5.266 4.387 6.448
198 HD13 LEU 31 3HD1 LEU 31 -4.559 5.784 5.637
199 HD21 LEU 31 3HD2 LEU 31 -3.245 6.828 8.075
200 HD22 LEU 31 1HD2 LEU 31 -2.113 6.636 6.736
201 HD23 LEU 31 2HD2 LEU 31 -1.781 5.865 8.287
202 H GLN 32 H GLN 32 -2.726 1.032 9.868
203 HA GLN 32 HA GLN 32 -3.196 2.034 12.499
204 HB2 GLN 32 1HB GLN 32 -4.167 -0.080 11.346
205 HB3 GLN 32 2HB GLN 32 -2.682 -0.858 11.878
206 HG2 GLN 32 1HG GLN 32 -3.317 0.076 14.206
207 HG3 GLN 32 2HG GLN 32 -4.928 0.239 13.509
208 HE21 GLN 32 1HE2 GLN 32 -5.059 -1.320 15.486
209 HE22 GLN 32 2HE2 GLN 32 -5.020 -2.999 15.081
210 H THR 33 H THR 33 -0.790 -0.343 11.362
211 HA THR 33 HA THR 33 0.857 0.100 13.680
212 HB THR 33 HB THR 33 0.731 -2.135 12.709
213 HG1 THR 33 1HG THR 33 3.188 -0.764 12.779
214 HG21 THR 33 3HG2 THR 33 2.138 -0.964 10.308
215 HG22 THR 33 1HG2 THR 33 0.438 -1.429 10.352
216 HG23 THR 33 2HG2 THR 33 1.693 -2.653 10.547
217 H HIS 34 H HIS 34 1.126 0.766 10.202
218 HA HIS 34 HA HIS 34 3.567 2.297 10.655
219 HB2 HIS 34 1HB HIS 34 2.178 1.921 8.008
220 HB3 HIS 34 2HB HIS 34 3.875 2.283 8.309
221 HD1 HIS 34 1HD HIS 34 4.741 0.103 10.160
222 HD2 HIS 34 2HD HIS 34 2.152 -0.576 6.982
223 HE1 HIS 34 1HE HIS 34 4.935 -2.351 9.647
224 H SER 35 H SER 35 2.566 3.994 11.877
225 HA SER 35 HA SER 35 0.596 5.664 10.568
226 HB2 SER 35 1HB SER 35 2.044 5.988 13.207
227 HB3 SER 35 2HB SER 35 0.748 7.036 12.633
228 HG SER 35 HG SER 35 0.262 4.292 12.683
229 H ASP 36 H ASP 36 1.031 8.121 10.702
230 HA ASP 36 HA ASP 36 3.192 8.699 8.962
231 HB2 ASP 36 1HB ASP 36 1.069 10.273 10.332
232 HB3 ASP 36 2HB ASP 36 2.478 11.153 9.743
233 H LYS 37 H LYS 37 5.254 8.765 9.536
234 HA LYS 37 HA LYS 37 6.036 9.272 12.272
235 HB2 LYS 37 1HB LYS 37 7.727 8.780 9.813
236 HB3 LYS 37 2HB LYS 37 8.316 8.816 11.470
237 HG2 LYS 37 1HG LYS 37 7.125 6.838 12.025
238 HG3 LYS 37 2HG LYS 37 6.235 6.873 10.501
239 HD2 LYS 37 1HD LYS 37 9.232 6.627 10.630
240 HD3 LYS 37 2HD LYS 37 8.159 5.225 10.652
241 HE2 LYS 37 1HE LYS 37 7.156 6.106 8.516
242 HE3 LYS 37 2HE LYS 37 8.465 7.287 8.477
243 HZ1 LYS 37 3HZ LYS 37 10.041 5.407 8.508
244 HZ2 LYS 37 1HZ LYS 37 9.054 5.414 7.134
245 HZ3 LYS 37 2HZ LYS 37 8.740 4.332 8.396
246 H SER 38 H SER 38 7.528 10.915 12.915
247 HA SER 38 HA SER 38 7.236 13.368 11.326
248 HB2 SER 38 1HB SER 38 7.568 14.600 13.371
249 HB3 SER 38 2HB SER 38 6.366 13.348 13.682
250 HG SER 38 HG SER 38 9.122 13.001 14.230
251 H GLY 39 H GLY 39 9.232 11.286 10.794
252 HA2 GLY 39 1HA GLY 39 11.355 12.211 9.783
253 HA3 GLY 39 2HA GLY 39 11.697 12.795 11.405
254 HA PRO 40 HA PRO 40 13.829 8.735 10.977
255 HB2 PRO 40 1HB PRO 40 16.055 9.518 12.320
256 HB3 PRO 40 2HB PRO 40 15.829 9.799 10.590
257 HG2 PRO 40 1HG PRO 40 15.422 11.680 12.882
258 HG3 PRO 40 2HG PRO 40 16.187 11.980 11.310
259 HD2 PRO 40 1HD PRO 40 13.645 12.733 11.861
260 HD3 PRO 40 2HD PRO 40 14.165 12.244 10.236
261 H SER 41 H SER 41 14.030 7.135 12.510
262 HA SER 41 HA SER 41 12.987 7.796 15.168
263 HB2 SER 41 1HB SER 41 12.664 5.297 15.348
264 HB3 SER 41 2HB SER 41 11.721 6.076 14.077
265 HG SER 41 HG SER 41 13.986 4.424 13.859
266 H SER 42 H SER 42 15.678 6.173 13.562
267 HA SER 42 HA SER 42 16.975 5.240 15.882
268 HB2 SER 42 1HB SER 42 18.953 4.992 14.453
269 HB3 SER 42 2HB SER 42 17.509 4.422 13.617
270 HG SER 42 HG SER 42 19.074 5.917 12.487
271 H GLY 43 H GLY 43 17.631 8.131 13.894
272 HA2 GLY 43 1HA GLY 43 18.792 10.057 14.380
273 HA3 GLY 43 2HA GLY 43 17.970 9.947 15.929
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -5.088 -27.956 -16.442
2 HA2 GLY 1 1HA GLY 1 -7.358 -26.550 -17.335
3 HA3 GLY 1 2HA GLY 1 -7.885 -27.881 -16.316
4 H SER 2 H SER 2 -7.889 -27.604 -14.171
5 HA SER 2 HA SER 2 -6.484 -25.242 -13.103
6 HB2 SER 2 1HB SER 2 -9.143 -26.398 -12.229
7 HB3 SER 2 2HB SER 2 -8.309 -25.067 -11.428
8 HG SER 2 HG SER 2 -9.185 -23.804 -12.843
9 H SER 3 H SER 3 -4.954 -25.694 -11.677
10 HA SER 3 HA SER 3 -5.247 -28.070 -9.973
11 HB2 SER 3 1HB SER 3 -3.640 -28.331 -12.008
12 HB3 SER 3 2HB SER 3 -2.554 -27.308 -11.067
13 HG SER 3 HG SER 3 -2.334 -29.645 -10.762
14 H GLY 4 H GLY 4 -5.814 -26.772 -8.221
15 HA2 GLY 4 1HA GLY 4 -3.543 -25.440 -6.955
16 HA3 GLY 4 2HA GLY 4 -4.975 -24.463 -7.241
17 H SER 5 H SER 5 -3.720 -27.271 -5.532
18 HA SER 5 HA SER 5 -6.013 -27.950 -4.086
19 HB2 SER 5 1HB SER 5 -4.513 -29.103 -2.549
20 HB3 SER 5 2HB SER 5 -3.968 -29.351 -4.208
21 HG SER 5 HG SER 5 -2.481 -28.548 -2.309
22 H SER 6 H SER 6 -3.392 -25.693 -3.304
23 HA SER 6 HA SER 6 -5.011 -24.691 -1.057
24 HB2 SER 6 1HB SER 6 -2.044 -24.305 -1.510
25 HB3 SER 6 2HB SER 6 -2.960 -23.871 -0.066
26 HG SER 6 HG SER 6 -3.499 -26.312 -0.227
27 H GLY 7 H GLY 7 -5.971 -22.793 -1.324
28 HA2 GLY 7 1HA GLY 7 -4.844 -20.935 -3.328
29 HA3 GLY 7 2HA GLY 7 -6.567 -21.112 -3.028
30 H ASN 8 H ASN 8 -3.886 -20.832 -0.720
31 HA ASN 8 HA ASN 8 -5.332 -18.737 0.673
32 HB2 ASN 8 1HB ASN 8 -4.030 -20.725 1.736
33 HB3 ASN 8 2HB ASN 8 -2.606 -19.727 1.455
34 HD21 ASN 8 1HD2 ASN 8 -2.018 -18.807 3.274
35 HD22 ASN 8 2HD2 ASN 8 -3.068 -18.073 4.433
36 H GLY 9 H GLY 9 -3.957 -16.863 1.537
37 HA2 GLY 9 1HA GLY 9 -2.405 -15.152 1.193
38 HA3 GLY 9 2HA GLY 9 -1.852 -15.977 -0.256
39 H ALA 10 H ALA 10 -3.838 -13.510 1.013
40 HA ALA 10 HA ALA 10 -4.987 -13.012 -1.655
41 HB1 ALA 10 3HB ALA 10 -6.952 -12.711 -0.674
42 HB2 ALA 10 1HB ALA 10 -6.227 -13.120 0.881
43 HB3 ALA 10 2HB ALA 10 -6.275 -11.441 0.344
44 H PHE 11 H PHE 11 -3.977 -11.211 1.259
45 HA PHE 11 HA PHE 11 -2.615 -9.289 -0.489
46 HB2 PHE 11 1HB PHE 11 -4.422 -8.518 1.812
47 HB3 PHE 11 2HB PHE 11 -3.487 -7.409 0.815
48 HD1 PHE 11 2HD PHE 11 -3.936 -7.889 -1.838
49 HD2 PHE 11 1HD PHE 11 -6.659 -8.571 1.361
50 HE1 PHE 11 2HE PHE 11 -5.821 -7.712 -3.409
51 HE2 PHE 11 1HE PHE 11 -8.548 -8.397 -0.205
52 HZ PHE 11 HZ PHE 11 -8.131 -7.966 -2.593
53 H PHE 12 H PHE 12 -0.651 -8.691 0.211
54 HA PHE 12 HA PHE 12 0.077 -9.316 2.994
55 HB2 PHE 12 1HB PHE 12 1.756 -9.786 0.523
56 HB3 PHE 12 2HB PHE 12 2.325 -9.981 2.177
57 HD1 PHE 12 2HD PHE 12 1.433 -11.792 3.586
58 HD2 PHE 12 1HD PHE 12 0.407 -11.434 -0.529
59 HE1 PHE 12 2HE PHE 12 0.635 -14.119 3.587
60 HE2 PHE 12 1HE PHE 12 -0.394 -13.761 -0.535
61 HZ PHE 12 HZ PHE 12 -0.280 -15.107 1.524
62 H CYS 13 H CYS 13 1.021 -7.709 4.082
63 HA CYS 13 HA CYS 13 1.233 -5.122 2.974
64 HB2 CYS 13 1HB CYS 13 0.794 -5.495 5.356
65 HB3 CYS 13 2HB CYS 13 2.389 -6.216 5.547
66 H ASN 14 H ASN 14 3.033 -3.859 2.485
67 HA ASN 14 HA ASN 14 5.323 -5.369 1.532
68 HB2 ASN 14 1HB ASN 14 4.526 -3.791 -0.041
69 HB3 ASN 14 2HB ASN 14 4.410 -2.520 1.172
70 HD21 ASN 14 1HD2 ASN 14 6.050 -3.330 -1.437
71 HD22 ASN 14 2HD2 ASN 14 7.607 -2.677 -1.071
72 H GLU 15 H GLU 15 4.714 -2.597 3.676
73 HA GLU 15 HA GLU 15 7.323 -2.113 4.484
74 HB2 GLU 15 1HB GLU 15 4.678 -1.736 5.864
75 HB3 GLU 15 2HB GLU 15 6.187 -1.303 6.656
76 HG2 GLU 15 1HG GLU 15 5.062 -0.160 4.115
77 HG3 GLU 15 2HG GLU 15 5.279 0.657 5.661
78 H CYS 16 H CYS 16 4.970 -4.428 5.744
79 HA CYS 16 HA CYS 16 7.166 -5.819 7.102
80 HB2 CYS 16 1HB CYS 16 5.978 -6.075 9.128
81 HB3 CYS 16 2HB CYS 16 5.797 -4.376 8.704
82 H ASP 17 H ASP 17 6.107 -7.993 8.048
83 HA ASP 17 HA ASP 17 4.870 -9.272 5.719
84 HB2 ASP 17 1HB ASP 17 5.770 -11.324 6.480
85 HB3 ASP 17 2HB ASP 17 7.042 -10.134 6.740
86 H CYS 18 H CYS 18 2.731 -9.417 5.787
87 HA CYS 18 HA CYS 18 1.430 -10.654 8.034
88 HB2 CYS 18 1HB CYS 18 1.640 -8.047 8.413
89 HB3 CYS 18 2HB CYS 18 0.275 -7.996 7.305
90 HG CYS 18 HG CYS 18 -0.967 -7.836 9.682
91 H ARG 19 H ARG 19 -0.744 -11.287 7.578
92 HA ARG 19 HA ARG 19 -1.403 -11.190 4.707
93 HB2 ARG 19 1HB ARG 19 -2.402 -13.400 4.939
94 HB3 ARG 19 2HB ARG 19 -0.719 -13.433 5.447
95 HG2 ARG 19 1HG ARG 19 -1.636 -14.627 7.143
96 HG3 ARG 19 2HG ARG 19 -1.806 -13.006 7.820
97 HD2 ARG 19 1HD ARG 19 -4.107 -12.929 6.852
98 HD3 ARG 19 2HD ARG 19 -3.914 -14.621 6.396
99 HE ARG 19 HE ARG 19 -4.444 -13.584 9.021
100 HH11 ARG 19 1HH1 ARG 19 -3.103 -16.240 7.214
101 HH12 ARG 19 2HH1 ARG 19 -3.332 -17.392 8.487
102 HH21 ARG 19 1HH2 ARG 19 -4.751 -15.091 10.705
103 HH22 ARG 19 2HH2 ARG 19 -4.270 -16.738 10.472
104 H PHE 20 H PHE 20 -3.585 -11.009 4.117
105 HA PHE 20 HA PHE 20 -5.542 -10.538 6.228
106 HB2 PHE 20 1HB PHE 20 -4.868 -8.490 4.106
107 HB3 PHE 20 2HB PHE 20 -6.255 -8.396 5.186
108 HD1 PHE 20 2HD PHE 20 -5.741 -8.425 7.721
109 HD2 PHE 20 1HD PHE 20 -2.863 -7.522 4.717
110 HE1 PHE 20 2HE PHE 20 -4.357 -7.273 9.397
111 HE2 PHE 20 1HE PHE 20 -1.474 -6.370 6.389
112 HZ PHE 20 HZ PHE 20 -2.221 -6.243 8.732
113 H SER 21 H SER 21 -7.590 -11.091 5.666
114 HA SER 21 HA SER 21 -7.919 -12.434 3.113
115 HB2 SER 21 1HB SER 21 -10.149 -13.101 4.104
116 HB3 SER 21 2HB SER 21 -8.737 -13.645 5.011
117 HG SER 21 HG SER 21 -10.737 -11.949 5.755
118 H GLU 22 H GLU 22 -7.801 -9.444 3.400
119 HA GLU 22 HA GLU 22 -9.814 -8.827 1.495
120 HB2 GLU 22 1HB GLU 22 -11.001 -8.879 3.820
121 HB3 GLU 22 2HB GLU 22 -10.202 -7.332 4.065
122 HG2 GLU 22 1HG GLU 22 -11.363 -6.326 2.293
123 HG3 GLU 22 2HG GLU 22 -11.895 -7.880 1.652
124 H GLU 23 H GLU 23 -9.582 -6.731 0.609
125 HA GLU 23 HA GLU 23 -6.926 -5.676 0.855
126 HB2 GLU 23 1HB GLU 23 -7.463 -4.288 -0.991
127 HB3 GLU 23 2HB GLU 23 -8.258 -5.827 -1.291
128 HG2 GLU 23 1HG GLU 23 -10.331 -4.756 -0.256
129 HG3 GLU 23 2HG GLU 23 -9.479 -3.225 -0.447
130 H ALA 24 H ALA 24 -10.104 -4.795 1.996
131 HA ALA 24 HA ALA 24 -9.602 -2.114 2.679
132 HB1 ALA 24 3HB ALA 24 -11.853 -2.820 2.617
133 HB2 ALA 24 1HB ALA 24 -11.552 -4.137 3.751
134 HB3 ALA 24 2HB ALA 24 -11.507 -2.464 4.310
135 H SER 25 H SER 25 -9.158 -5.126 4.481
136 HA SER 25 HA SER 25 -8.505 -4.016 6.964
137 HB2 SER 25 1HB SER 25 -8.993 -6.407 6.645
138 HB3 SER 25 2HB SER 25 -7.492 -6.594 5.739
139 HG SER 25 HG SER 25 -6.380 -5.940 7.651
140 H LEU 26 H LEU 26 -6.353 -5.075 4.330
141 HA LEU 26 HA LEU 26 -3.919 -4.443 5.463
142 HB2 LEU 26 1HB LEU 26 -3.895 -5.608 3.430
143 HB3 LEU 26 2HB LEU 26 -4.885 -4.393 2.625
144 HG LEU 26 HG LEU 26 -2.770 -2.874 3.094
145 HD11 LEU 26 1HD1 LEU 26 -1.647 -4.751 4.334
146 HD12 LEU 26 2HD1 LEU 26 -0.703 -4.031 3.030
147 HD13 LEU 26 3HD1 LEU 26 -1.501 -5.584 2.787
148 HD21 LEU 26 3HD2 LEU 26 -3.767 -4.386 0.905
149 HD22 LEU 26 1HD2 LEU 26 -2.005 -4.441 0.859
150 HD23 LEU 26 2HD2 LEU 26 -2.838 -2.887 0.878
151 H LYS 27 H LYS 27 -5.854 -2.339 3.329
152 HA LYS 27 HA LYS 27 -4.362 -0.075 3.300
153 HB2 LYS 27 1HB LYS 27 -7.346 -0.420 3.493
154 HB3 LYS 27 2HB LYS 27 -6.616 1.174 3.348
155 HG2 LYS 27 1HG LYS 27 -5.412 0.137 1.288
156 HG3 LYS 27 2HG LYS 27 -6.715 -1.052 1.365
157 HD2 LYS 27 1HD LYS 27 -7.151 1.931 1.269
158 HD3 LYS 27 2HD LYS 27 -7.166 0.884 -0.152
159 HE2 LYS 27 1HE LYS 27 -8.960 -0.459 1.029
160 HE3 LYS 27 2HE LYS 27 -9.049 0.860 2.196
161 HZ1 LYS 27 3HZ LYS 27 -9.398 2.327 0.155
162 HZ2 LYS 27 1HZ LYS 27 -10.689 1.351 0.647
163 HZ3 LYS 27 2HZ LYS 27 -9.739 0.893 -0.675
164 H ARG 28 H ARG 28 -6.685 -0.943 5.855
165 HA ARG 28 HA ARG 28 -6.170 1.315 7.472
166 HB2 ARG 28 1HB ARG 28 -8.154 -0.316 7.566
167 HB3 ARG 28 2HB ARG 28 -7.099 -1.348 8.523
168 HG2 ARG 28 1HG ARG 28 -8.348 -0.154 10.090
169 HG3 ARG 28 2HG ARG 28 -6.787 0.668 10.048
170 HD2 ARG 28 1HD ARG 28 -8.551 2.309 10.056
171 HD3 ARG 28 2HD ARG 28 -7.746 2.327 8.487
172 HE ARG 28 HE ARG 28 -9.735 1.761 7.535
173 HH11 ARG 28 1HH1 ARG 28 -9.820 0.846 10.893
174 HH12 ARG 28 2HH1 ARG 28 -11.477 0.342 10.848
175 HH21 ARG 28 1HH2 ARG 28 -11.917 1.101 7.464
176 HH22 ARG 28 2HH2 ARG 28 -12.669 0.487 8.897
177 H HIS 29 H HIS 29 -5.065 -2.061 7.781
178 HA HIS 29 HA HIS 29 -3.489 -1.905 9.993
179 HB2 HIS 29 1HB HIS 29 -3.587 -4.029 9.066
180 HB3 HIS 29 2HB HIS 29 -3.217 -3.451 7.444
181 HD1 HIS 29 1HD HIS 29 -1.662 -4.813 10.487
182 HD2 HIS 29 2HD HIS 29 -0.427 -2.909 7.007
183 HE1 HIS 29 1HE HIS 29 0.820 -5.197 10.355
184 H THR 30 H THR 30 -2.288 -1.326 6.682
185 HA THR 30 HA THR 30 0.269 -0.534 7.240
186 HB THR 30 HB THR 30 -1.495 0.780 5.165
187 HG1 THR 30 1HG THR 30 -0.824 -0.919 3.821
188 HG21 THR 30 3HG2 THR 30 0.606 1.942 5.439
189 HG22 THR 30 1HG2 THR 30 0.648 1.024 3.934
190 HG23 THR 30 2HG2 THR 30 1.498 0.422 5.358
191 H LEU 31 H LEU 31 -2.684 1.320 7.625
192 HA LEU 31 HA LEU 31 -1.220 3.735 8.316
193 HB2 LEU 31 1HB LEU 31 -4.077 3.030 7.866
194 HB3 LEU 31 2HB LEU 31 -3.703 4.448 8.843
195 HG LEU 31 HG LEU 31 -4.184 4.875 6.407
196 HD11 LEU 31 1HD1 LEU 31 -3.206 6.736 7.184
197 HD12 LEU 31 2HD1 LEU 31 -1.802 6.172 6.277
198 HD13 LEU 31 3HD1 LEU 31 -1.925 5.844 8.006
199 HD21 LEU 31 3HD2 LEU 31 -1.406 3.825 5.948
200 HD22 LEU 31 1HD2 LEU 31 -2.603 4.329 4.755
201 HD23 LEU 31 2HD2 LEU 31 -2.846 2.843 5.673
202 H GLN 32 H GLN 32 -2.537 0.999 9.870
203 HA GLN 32 HA GLN 32 -2.804 2.324 12.448
204 HB2 GLN 32 1HB GLN 32 -3.496 -0.368 11.364
205 HB3 GLN 32 2HB GLN 32 -3.247 -0.205 13.097
206 HG2 GLN 32 1HG GLN 32 -4.931 1.666 13.046
207 HG3 GLN 32 2HG GLN 32 -5.287 1.185 11.388
208 HE21 GLN 32 1HE2 GLN 32 -5.147 -0.033 14.698
209 HE22 GLN 32 2HE2 GLN 32 -6.415 -1.192 14.515
210 H THR 33 H THR 33 -1.140 -0.639 11.359
211 HA THR 33 HA THR 33 0.606 -0.794 13.541
212 HB THR 33 HB THR 33 1.027 -1.860 10.741
213 HG1 THR 33 1HG THR 33 0.320 -3.842 12.040
214 HG21 THR 33 3HG2 THR 33 2.899 -1.712 12.722
215 HG22 THR 33 1HG2 THR 33 2.877 -2.930 11.447
216 HG23 THR 33 2HG2 THR 33 2.180 -3.294 13.026
217 H HIS 34 H HIS 34 1.124 0.550 10.288
218 HA HIS 34 HA HIS 34 3.644 1.732 11.216
219 HB2 HIS 34 1HB HIS 34 2.636 1.754 8.378
220 HB3 HIS 34 2HB HIS 34 4.292 1.930 8.953
221 HD1 HIS 34 1HD HIS 34 4.941 -0.447 10.474
222 HD2 HIS 34 2HD HIS 34 2.353 -0.663 7.231
223 HE1 HIS 34 1HE HIS 34 4.973 -2.854 9.747
224 H SER 35 H SER 35 4.090 3.946 10.913
225 HA SER 35 HA SER 35 2.082 5.751 9.947
226 HB2 SER 35 1HB SER 35 2.630 5.603 12.919
227 HB3 SER 35 2HB SER 35 1.816 6.956 12.133
228 HG SER 35 HG SER 35 0.057 5.822 12.108
229 H ASP 36 H ASP 36 3.070 7.484 9.140
230 HA ASP 36 HA ASP 36 5.893 7.806 9.423
231 HB2 ASP 36 1HB ASP 36 4.090 9.883 8.216
232 HB3 ASP 36 2HB ASP 36 5.733 9.444 7.758
233 H LYS 37 H LYS 37 3.066 9.355 10.788
234 HA LYS 37 HA LYS 37 4.794 11.241 12.239
235 HB2 LYS 37 1HB LYS 37 2.947 12.228 10.929
236 HB3 LYS 37 2HB LYS 37 1.793 11.288 11.866
237 HG2 LYS 37 1HG LYS 37 1.664 13.252 12.992
238 HG3 LYS 37 2HG LYS 37 2.993 12.507 13.885
239 HD2 LYS 37 1HD LYS 37 4.575 13.686 12.343
240 HD3 LYS 37 2HD LYS 37 3.187 14.545 11.671
241 HE2 LYS 37 1HE LYS 37 4.217 15.943 13.322
242 HE3 LYS 37 2HE LYS 37 2.674 15.376 13.958
243 HZ1 LYS 37 3HZ LYS 37 3.772 14.635 15.716
244 HZ2 LYS 37 1HZ LYS 37 5.266 15.033 15.029
245 HZ3 LYS 37 2HZ LYS 37 4.575 13.518 14.731
246 H SER 38 H SER 38 5.501 10.144 14.000
247 HA SER 38 HA SER 38 3.435 9.200 15.868
248 HB2 SER 38 1HB SER 38 4.692 7.324 14.639
249 HB3 SER 38 2HB SER 38 6.095 7.807 15.591
250 HG SER 38 HG SER 38 4.403 7.599 17.408
251 H GLY 39 H GLY 39 3.705 9.796 17.957
252 HA2 GLY 39 1HA GLY 39 4.733 10.645 19.852
253 HA3 GLY 39 2HA GLY 39 6.262 10.636 18.985
254 HA PRO 40 HA PRO 40 4.097 14.941 19.178
255 HB2 PRO 40 1HB PRO 40 5.002 15.896 21.553
256 HB3 PRO 40 2HB PRO 40 3.463 15.043 21.384
257 HG2 PRO 40 1HG PRO 40 6.109 14.009 22.328
258 HG3 PRO 40 2HG PRO 40 4.490 13.712 22.990
259 HD2 PRO 40 1HD PRO 40 5.764 11.928 21.401
260 HD3 PRO 40 2HD PRO 40 3.998 12.113 21.406
261 H SER 41 H SER 41 5.811 14.932 17.498
262 HA SER 41 HA SER 41 8.373 16.022 18.425
263 HB2 SER 41 1HB SER 41 8.339 14.031 16.873
264 HB3 SER 41 2HB SER 41 7.674 15.095 15.633
265 HG SER 41 HG SER 41 10.103 14.744 15.847
266 H SER 42 H SER 42 6.208 16.545 15.636
267 HA SER 42 HA SER 42 6.854 19.413 15.795
268 HB2 SER 42 1HB SER 42 7.355 17.959 13.673
269 HB3 SER 42 2HB SER 42 5.629 18.148 13.367
270 HG SER 42 HG SER 42 7.129 20.423 13.994
271 H GLY 43 H GLY 43 4.963 18.515 17.558
272 HA2 GLY 43 1HA GLY 43 2.533 19.760 16.459
273 HA3 GLY 43 2HA GLY 43 2.412 18.222 17.299
Start of MODEL 4
1 H1 GLY 1 H GLY 1 7.643 -29.799 -1.423
2 HA2 GLY 1 1HA GLY 1 6.364 -29.730 -3.641
3 HA3 GLY 1 2HA GLY 1 5.366 -30.965 -2.888
4 H SER 2 H SER 2 5.390 -27.826 -3.647
5 HA SER 2 HA SER 2 4.192 -26.826 -1.186
6 HB2 SER 2 1HB SER 2 4.829 -25.460 -3.810
7 HB3 SER 2 2HB SER 2 4.112 -24.652 -2.417
8 HG SER 2 HG SER 2 6.631 -25.961 -2.472
9 H SER 3 H SER 3 2.727 -28.872 -2.352
10 HA SER 3 HA SER 3 0.308 -27.418 -3.172
11 HB2 SER 3 1HB SER 3 -0.214 -29.006 -4.866
12 HB3 SER 3 2HB SER 3 1.478 -28.578 -5.116
13 HG SER 3 HG SER 3 0.477 -30.979 -4.760
14 H GLY 4 H GLY 4 -1.672 -28.374 -2.552
15 HA2 GLY 4 1HA GLY 4 -2.382 -30.695 -1.497
16 HA3 GLY 4 2HA GLY 4 -1.416 -30.054 -0.176
17 H SER 5 H SER 5 -2.070 -27.462 -0.027
18 HA SER 5 HA SER 5 -4.981 -27.514 0.437
19 HB2 SER 5 1HB SER 5 -3.377 -27.422 2.457
20 HB3 SER 5 2HB SER 5 -3.062 -25.760 1.959
21 HG SER 5 HG SER 5 -5.641 -26.819 2.489
22 H SER 6 H SER 6 -6.205 -25.889 -0.348
23 HA SER 6 HA SER 6 -5.478 -24.384 -2.501
24 HB2 SER 6 1HB SER 6 -7.804 -24.731 -1.299
25 HB3 SER 6 2HB SER 6 -7.421 -23.168 -0.578
26 HG SER 6 HG SER 6 -6.918 -22.710 -3.000
27 H GLY 7 H GLY 7 -4.659 -22.358 -2.896
28 HA2 GLY 7 1HA GLY 7 -2.859 -21.297 -0.966
29 HA3 GLY 7 2HA GLY 7 -3.243 -20.583 -2.525
30 H ASN 8 H ASN 8 -3.268 -19.975 0.664
31 HA ASN 8 HA ASN 8 -5.668 -18.273 0.518
32 HB2 ASN 8 1HB ASN 8 -5.600 -20.026 2.328
33 HB3 ASN 8 2HB ASN 8 -4.230 -19.165 3.023
34 HD21 ASN 8 1HD2 ASN 8 -7.604 -18.792 2.071
35 HD22 ASN 8 2HD2 ASN 8 -7.993 -17.598 3.258
36 H GLY 9 H GLY 9 -5.369 -16.148 0.402
37 HA2 GLY 9 1HA GLY 9 -4.206 -14.254 1.598
38 HA3 GLY 9 2HA GLY 9 -2.720 -15.084 1.162
39 H ALA 10 H ALA 10 -4.417 -12.484 0.408
40 HA ALA 10 HA ALA 10 -3.612 -12.587 -2.422
41 HB1 ALA 10 3HB ALA 10 -5.728 -12.347 -3.046
42 HB2 ALA 10 1HB ALA 10 -6.253 -12.217 -1.367
43 HB3 ALA 10 2HB ALA 10 -5.746 -10.775 -2.247
44 H PHE 11 H PHE 11 -4.730 -10.273 0.059
45 HA PHE 11 HA PHE 11 -2.829 -8.307 -0.982
46 HB2 PHE 11 1HB PHE 11 -4.975 -7.924 1.114
47 HB3 PHE 11 2HB PHE 11 -4.062 -6.662 0.293
48 HD1 PHE 11 2HD PHE 11 -4.466 -6.204 -2.100
49 HD2 PHE 11 1HD PHE 11 -6.872 -8.932 0.111
50 HE1 PHE 11 2HE PHE 11 -6.197 -6.087 -3.845
51 HE2 PHE 11 1HE PHE 11 -8.606 -8.820 -1.630
52 HZ PHE 11 HZ PHE 11 -8.270 -7.395 -3.611
53 H PHE 12 H PHE 12 -0.901 -9.150 -0.159
54 HA PHE 12 HA PHE 12 -0.662 -9.346 2.754
55 HB2 PHE 12 1HB PHE 12 1.602 -10.319 2.217
56 HB3 PHE 12 2HB PHE 12 0.233 -11.254 1.625
57 HD1 PHE 12 1HD PHE 12 2.993 -9.030 0.665
58 HD2 PHE 12 2HD PHE 12 -0.151 -11.546 -0.711
59 HE1 PHE 12 1HE PHE 12 3.940 -8.966 -1.605
60 HE2 PHE 12 2HE PHE 12 0.791 -11.487 -2.983
61 HZ PHE 12 HZ PHE 12 2.840 -10.197 -3.432
62 H CYS 13 H CYS 13 0.795 -8.129 3.934
63 HA CYS 13 HA CYS 13 1.417 -5.545 2.841
64 HB2 CYS 13 1HB CYS 13 0.719 -6.222 5.285
65 HB3 CYS 13 2HB CYS 13 2.449 -6.476 5.492
66 H ASN 14 H ASN 14 3.251 -4.932 1.907
67 HA ASN 14 HA ASN 14 5.452 -6.792 1.708
68 HB2 ASN 14 1HB ASN 14 5.439 -3.982 0.627
69 HB3 ASN 14 2HB ASN 14 6.306 -5.388 0.016
70 HD21 ASN 14 1HD2 ASN 14 5.453 -6.415 -1.643
71 HD22 ASN 14 2HD2 ASN 14 3.816 -6.288 -2.180
72 H GLU 15 H GLU 15 4.930 -3.535 3.021
73 HA GLU 15 HA GLU 15 7.470 -2.912 3.861
74 HB2 GLU 15 1HB GLU 15 4.835 -2.344 5.225
75 HB3 GLU 15 2HB GLU 15 6.359 -1.601 5.692
76 HG2 GLU 15 1HG GLU 15 5.328 -1.403 2.889
77 HG3 GLU 15 2HG GLU 15 4.789 -0.296 4.150
78 H CYS 16 H CYS 16 5.003 -4.681 5.726
79 HA CYS 16 HA CYS 16 7.174 -5.724 7.426
80 HB2 CYS 16 1HB CYS 16 5.641 -5.845 9.262
81 HB3 CYS 16 2HB CYS 16 5.501 -4.233 8.569
82 H ASP 17 H ASP 17 6.470 -7.861 8.513
83 HA ASP 17 HA ASP 17 5.724 -9.674 6.366
84 HB2 ASP 17 1HB ASP 17 7.711 -9.992 7.977
85 HB3 ASP 17 2HB ASP 17 6.501 -10.490 9.158
86 H CYS 18 H CYS 18 3.490 -9.225 6.222
87 HA CYS 18 HA CYS 18 1.902 -10.726 8.127
88 HB2 CYS 18 1HB CYS 18 1.423 -7.784 7.616
89 HB3 CYS 18 2HB CYS 18 0.268 -8.851 8.405
90 HG CYS 18 HG CYS 18 1.198 -7.778 10.611
91 H ARG 19 H ARG 19 -0.498 -10.647 7.391
92 HA ARG 19 HA ARG 19 -0.832 -10.273 4.532
93 HB2 ARG 19 1HB ARG 19 -1.241 -12.994 5.786
94 HB3 ARG 19 2HB ARG 19 -1.539 -12.563 4.107
95 HG2 ARG 19 1HG ARG 19 0.939 -11.966 4.000
96 HG3 ARG 19 2HG ARG 19 1.085 -12.832 5.531
97 HD2 ARG 19 1HD ARG 19 1.600 -14.398 3.837
98 HD3 ARG 19 2HD ARG 19 -0.029 -14.788 4.387
99 HE ARG 19 HE ARG 19 -0.332 -13.082 2.241
100 HH11 ARG 19 1HH1 ARG 19 1.077 -16.210 2.828
101 HH12 ARG 19 2HH1 ARG 19 0.783 -16.789 1.221
102 HH21 ARG 19 1HH2 ARG 19 -0.725 -13.832 0.123
103 HH22 ARG 19 2HH2 ARG 19 -0.241 -15.435 -0.317
104 H PHE 20 H PHE 20 -3.080 -10.580 3.846
105 HA PHE 20 HA PHE 20 -5.070 -10.673 5.968
106 HB2 PHE 20 1HB PHE 20 -4.737 -8.291 4.134
107 HB3 PHE 20 2HB PHE 20 -6.139 -8.567 5.162
108 HD1 PHE 20 2HD PHE 20 -5.977 -8.343 7.576
109 HD2 PHE 20 1HD PHE 20 -2.634 -7.581 5.054
110 HE1 PHE 20 2HE PHE 20 -4.839 -7.201 9.435
111 HE2 PHE 20 1HE PHE 20 -1.490 -6.439 6.909
112 HZ PHE 20 HZ PHE 20 -2.593 -6.246 9.102
113 H SER 21 H SER 21 -7.325 -10.574 5.024
114 HA SER 21 HA SER 21 -7.391 -12.306 2.687
115 HB2 SER 21 1HB SER 21 -9.503 -11.471 4.681
116 HB3 SER 21 2HB SER 21 -9.852 -12.470 3.270
117 HG SER 21 HG SER 21 -8.426 -14.023 4.074
118 H GLU 22 H GLU 22 -8.945 -9.286 3.761
119 HA GLU 22 HA GLU 22 -9.700 -8.725 0.987
120 HB2 GLU 22 1HB GLU 22 -10.490 -7.298 3.533
121 HB3 GLU 22 2HB GLU 22 -11.121 -6.962 1.927
122 HG2 GLU 22 1HG GLU 22 -12.114 -9.174 1.829
123 HG3 GLU 22 2HG GLU 22 -11.443 -9.559 3.413
124 H GLU 23 H GLU 23 -9.490 -6.412 0.276
125 HA GLU 23 HA GLU 23 -6.756 -5.595 0.589
126 HB2 GLU 23 1HB GLU 23 -7.213 -3.977 -1.118
127 HB3 GLU 23 2HB GLU 23 -8.009 -5.477 -1.571
128 HG2 GLU 23 1HG GLU 23 -9.576 -3.464 -0.054
129 HG3 GLU 23 2HG GLU 23 -9.222 -3.146 -1.751
130 H ALA 24 H ALA 24 -9.854 -4.573 1.815
131 HA ALA 24 HA ALA 24 -9.061 -2.004 2.728
132 HB1 ALA 24 3HB ALA 24 -11.355 -2.236 2.527
133 HB2 ALA 24 1HB ALA 24 -11.368 -3.815 3.314
134 HB3 ALA 24 2HB ALA 24 -11.114 -2.354 4.270
135 H SER 25 H SER 25 -9.461 -5.117 4.414
136 HA SER 25 HA SER 25 -8.828 -4.436 6.970
137 HB2 SER 25 1HB SER 25 -9.305 -6.771 5.881
138 HB3 SER 25 2HB SER 25 -7.547 -6.886 5.805
139 HG SER 25 HG SER 25 -7.840 -7.612 7.776
140 H LEU 26 H LEU 26 -6.600 -4.826 4.275
141 HA LEU 26 HA LEU 26 -4.223 -4.603 5.826
142 HB2 LEU 26 1HB LEU 26 -4.033 -5.655 3.726
143 HB3 LEU 26 2HB LEU 26 -4.824 -4.316 2.898
144 HG LEU 26 HG LEU 26 -2.696 -2.997 3.752
145 HD11 LEU 26 1HD1 LEU 26 -2.048 -5.421 4.756
146 HD12 LEU 26 2HD1 LEU 26 -0.873 -4.186 4.307
147 HD13 LEU 26 3HD1 LEU 26 -1.252 -5.492 3.184
148 HD21 LEU 26 3HD2 LEU 26 -2.717 -2.859 1.524
149 HD22 LEU 26 1HD2 LEU 26 -3.356 -4.493 1.342
150 HD23 LEU 26 2HD2 LEU 26 -1.622 -4.242 1.548
151 H LYS 27 H LYS 27 -6.170 -2.311 3.962
152 HA LYS 27 HA LYS 27 -4.560 -0.078 4.042
153 HB2 LYS 27 1HB LYS 27 -7.565 -0.162 4.375
154 HB3 LYS 27 2HB LYS 27 -6.627 1.251 3.908
155 HG2 LYS 27 1HG LYS 27 -6.357 -1.208 2.267
156 HG3 LYS 27 2HG LYS 27 -7.843 -0.267 2.128
157 HD2 LYS 27 1HD LYS 27 -6.404 1.756 1.735
158 HD3 LYS 27 2HD LYS 27 -5.019 0.666 1.638
159 HE2 LYS 27 1HE LYS 27 -7.473 0.431 -0.096
160 HE3 LYS 27 2HE LYS 27 -6.018 1.306 -0.569
161 HZ1 LYS 27 3HZ LYS 27 -5.518 -0.696 -1.453
162 HZ2 LYS 27 1HZ LYS 27 -6.473 -1.564 -0.358
163 HZ3 LYS 27 2HZ LYS 27 -4.946 -1.006 0.108
164 H ARG 28 H ARG 28 -7.016 -0.998 6.458
165 HA ARG 28 HA ARG 28 -6.517 1.077 8.259
166 HB2 ARG 28 1HB ARG 28 -8.389 -0.775 8.179
167 HB3 ARG 28 2HB ARG 28 -7.296 -1.630 9.259
168 HG2 ARG 28 1HG ARG 28 -7.317 0.410 10.726
169 HG3 ARG 28 2HG ARG 28 -8.618 1.030 9.707
170 HD2 ARG 28 1HD ARG 28 -9.990 -0.899 10.244
171 HD3 ARG 28 2HD ARG 28 -8.678 -1.591 11.198
172 HE ARG 28 HE ARG 28 -9.295 -0.242 12.931
173 HH11 ARG 28 1HH1 ARG 28 -10.630 1.043 9.983
174 HH12 ARG 28 2HH1 ARG 28 -11.552 2.273 10.784
175 HH21 ARG 28 1HH2 ARG 28 -10.503 1.373 13.996
176 HH22 ARG 28 2HH2 ARG 28 -11.478 2.460 13.066
177 H HIS 29 H HIS 29 -5.149 -2.197 8.115
178 HA HIS 29 HA HIS 29 -3.592 -2.108 10.415
179 HB2 HIS 29 1HB HIS 29 -3.645 -4.218 9.494
180 HB3 HIS 29 2HB HIS 29 -3.449 -3.622 7.848
181 HD1 HIS 29 1HD HIS 29 -1.505 -4.654 10.864
182 HD2 HIS 29 2HD HIS 29 -0.796 -3.284 7.006
183 HE1 HIS 29 1HE HIS 29 0.947 -5.032 10.457
184 H THR 30 H THR 30 -2.732 -1.156 7.100
185 HA THR 30 HA THR 30 -0.091 -0.348 7.724
186 HB THR 30 HB THR 30 -1.855 0.513 5.422
187 HG1 THR 30 1HG THR 30 -0.632 -1.122 4.314
188 HG21 THR 30 3HG2 THR 30 1.091 0.489 5.178
189 HG22 THR 30 1HG2 THR 30 0.402 1.772 6.171
190 HG23 THR 30 2HG2 THR 30 -0.095 1.597 4.488
191 H LEU 31 H LEU 31 -3.141 1.438 7.417
192 HA LEU 31 HA LEU 31 -2.108 4.014 7.779
193 HB2 LEU 31 1HB LEU 31 -4.306 3.851 6.985
194 HB3 LEU 31 2HB LEU 31 -4.794 2.786 8.302
195 HG LEU 31 HG LEU 31 -4.417 4.817 9.825
196 HD11 LEU 31 1HD1 LEU 31 -3.214 6.077 7.981
197 HD12 LEU 31 2HD1 LEU 31 -4.448 6.967 8.873
198 HD13 LEU 31 3HD1 LEU 31 -4.804 6.339 7.264
199 HD21 LEU 31 3HD2 LEU 31 -6.615 3.837 9.148
200 HD22 LEU 31 1HD2 LEU 31 -6.660 4.998 7.821
201 HD23 LEU 31 2HD2 LEU 31 -6.660 5.567 9.490
202 H GLN 32 H GLN 32 -3.102 1.561 10.102
203 HA GLN 32 HA GLN 32 -2.640 3.332 12.352
204 HB2 GLN 32 1HB GLN 32 -3.636 0.526 12.032
205 HB3 GLN 32 2HB GLN 32 -3.064 1.070 13.605
206 HG2 GLN 32 1HG GLN 32 -5.282 2.311 11.993
207 HG3 GLN 32 2HG GLN 32 -5.468 1.302 13.426
208 HE21 GLN 32 1HE2 GLN 32 -4.878 2.135 15.447
209 HE22 GLN 32 2HE2 GLN 32 -4.720 3.834 15.715
210 H THR 33 H THR 33 -1.419 0.080 11.536
211 HA THR 33 HA THR 33 0.734 0.051 13.270
212 HB THR 33 HB THR 33 0.560 -1.253 10.547
213 HG1 THR 33 1HG THR 33 -0.178 -3.039 11.767
214 HG21 THR 33 3HG2 THR 33 2.440 -2.450 11.000
215 HG22 THR 33 1HG2 THR 33 2.168 -2.426 12.742
216 HG23 THR 33 2HG2 THR 33 2.836 -1.008 11.935
217 H HIS 34 H HIS 34 0.752 0.991 9.831
218 HA HIS 34 HA HIS 34 3.393 2.205 10.222
219 HB2 HIS 34 1HB HIS 34 1.932 1.821 7.608
220 HB3 HIS 34 2HB HIS 34 3.643 2.166 7.843
221 HD1 HIS 34 1HD HIS 34 4.653 0.077 9.631
222 HD2 HIS 34 2HD HIS 34 1.707 -0.742 6.818
223 HE1 HIS 34 1HE HIS 34 4.759 -2.407 9.249
224 H SER 35 H SER 35 3.719 4.257 8.839
225 HA SER 35 HA SER 35 1.449 6.059 9.367
226 HB2 SER 35 1HB SER 35 4.389 6.767 9.222
227 HB3 SER 35 2HB SER 35 3.070 7.853 9.658
228 HG SER 35 HG SER 35 2.828 6.824 11.559
229 H ASP 36 H ASP 36 0.469 6.884 7.654
230 HA ASP 36 HA ASP 36 1.985 7.108 5.135
231 HB2 ASP 36 1HB ASP 36 -0.920 6.381 5.549
232 HB3 ASP 36 2HB ASP 36 -0.221 6.769 3.980
233 H LYS 37 H LYS 37 2.552 9.267 5.693
234 HA LYS 37 HA LYS 37 1.063 11.346 6.536
235 HB2 LYS 37 1HB LYS 37 3.036 11.355 4.248
236 HB3 LYS 37 2HB LYS 37 2.417 12.811 5.015
237 HG2 LYS 37 1HG LYS 37 3.782 10.677 6.612
238 HG3 LYS 37 2HG LYS 37 4.699 11.920 5.759
239 HD2 LYS 37 1HD LYS 37 3.769 13.646 7.047
240 HD3 LYS 37 2HD LYS 37 2.455 12.621 7.629
241 HE2 LYS 37 1HE LYS 37 5.290 11.916 8.262
242 HE3 LYS 37 2HE LYS 37 4.473 13.176 9.187
243 HZ1 LYS 37 3HZ LYS 37 2.847 10.853 8.913
244 HZ2 LYS 37 1HZ LYS 37 3.339 11.660 10.317
245 HZ3 LYS 37 2HZ LYS 37 4.332 10.476 9.630
246 H SER 38 H SER 38 -0.741 12.356 5.948
247 HA SER 38 HA SER 38 -1.468 12.778 3.216
248 HB2 SER 38 1HB SER 38 -2.146 10.345 3.751
249 HB3 SER 38 2HB SER 38 -3.404 11.061 4.758
250 HG SER 38 HG SER 38 -4.427 11.754 3.020
251 H GLY 39 H GLY 39 -2.589 14.618 3.093
252 HA2 GLY 39 1HA GLY 39 -4.737 15.446 4.577
253 HA3 GLY 39 2HA GLY 39 -3.342 15.990 5.496
254 HA PRO 40 HA PRO 40 -4.423 18.741 1.686
255 HB2 PRO 40 1HB PRO 40 -6.273 20.426 2.740
256 HB3 PRO 40 2HB PRO 40 -6.704 18.939 1.887
257 HG2 PRO 40 1HG PRO 40 -6.531 19.451 4.831
258 HG3 PRO 40 2HG PRO 40 -7.766 18.562 3.921
259 HD2 PRO 40 1HD PRO 40 -5.781 17.320 5.282
260 HD3 PRO 40 2HD PRO 40 -6.475 16.657 3.788
261 H SER 41 H SER 41 -4.593 19.762 5.100
262 HA SER 41 HA SER 41 -2.401 21.646 4.561
263 HB2 SER 41 1HB SER 41 -5.057 22.206 5.832
264 HB3 SER 41 2HB SER 41 -3.638 23.116 6.351
265 HG SER 41 HG SER 41 -4.806 22.991 3.779
266 H SER 42 H SER 42 -1.094 22.169 6.389
267 HA SER 42 HA SER 42 -0.336 20.037 7.964
268 HB2 SER 42 1HB SER 42 1.047 22.056 7.584
269 HB3 SER 42 2HB SER 42 -0.019 22.970 8.651
270 HG SER 42 HG SER 42 1.099 20.605 9.627
271 H GLY 43 H GLY 43 -2.161 22.891 9.102
272 HA2 GLY 43 1HA GLY 43 -4.175 22.617 10.413
273 HA3 GLY 43 2HA GLY 43 -3.499 21.123 11.046
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -2.065 -35.183 6.724
2 HA2 GLY 1 1HA GLY 1 -3.929 -35.489 5.310
3 HA3 GLY 1 2HA GLY 1 -4.623 -34.651 6.690
4 H SER 2 H SER 2 -6.239 -33.939 5.125
5 HA SER 2 HA SER 2 -5.618 -32.302 2.922
6 HB2 SER 2 1HB SER 2 -8.134 -32.429 4.601
7 HB3 SER 2 2HB SER 2 -8.001 -31.594 3.053
8 HG SER 2 HG SER 2 -8.689 -34.035 3.341
9 H SER 3 H SER 3 -5.921 -30.015 2.675
10 HA SER 3 HA SER 3 -5.398 -28.514 5.158
11 HB2 SER 3 1HB SER 3 -3.439 -28.622 3.636
12 HB3 SER 3 2HB SER 3 -4.404 -27.860 2.372
13 HG SER 3 HG SER 3 -3.663 -26.088 3.237
14 H GLY 4 H GLY 4 -6.691 -28.176 1.853
15 HA2 GLY 4 1HA GLY 4 -8.387 -26.873 1.018
16 HA3 GLY 4 2HA GLY 4 -9.142 -27.093 2.589
17 H SER 5 H SER 5 -6.615 -25.169 0.986
18 HA SER 5 HA SER 5 -7.462 -22.882 2.641
19 HB2 SER 5 1HB SER 5 -5.105 -22.049 2.422
20 HB3 SER 5 2HB SER 5 -5.251 -23.542 3.349
21 HG SER 5 HG SER 5 -3.823 -24.267 1.992
22 H SER 6 H SER 6 -6.165 -23.923 -0.478
23 HA SER 6 HA SER 6 -6.199 -22.978 -2.550
24 HB2 SER 6 1HB SER 6 -8.625 -23.263 -2.229
25 HB3 SER 6 2HB SER 6 -8.713 -21.669 -1.479
26 HG SER 6 HG SER 6 -8.081 -20.759 -3.443
27 H GLY 7 H GLY 7 -4.408 -21.728 -0.990
28 HA2 GLY 7 1HA GLY 7 -3.346 -19.725 -0.523
29 HA3 GLY 7 2HA GLY 7 -3.758 -19.404 -2.201
30 H ASN 8 H ASN 8 -5.812 -19.631 0.691
31 HA ASN 8 HA ASN 8 -7.418 -17.440 -0.038
32 HB2 ASN 8 1HB ASN 8 -8.038 -19.289 1.563
33 HB3 ASN 8 2HB ASN 8 -7.023 -18.498 2.765
34 HD21 ASN 8 1HD2 ASN 8 -7.837 -16.864 3.917
35 HD22 ASN 8 2HD2 ASN 8 -9.395 -16.159 3.670
36 H GLY 9 H GLY 9 -6.808 -15.385 -0.148
37 HA2 GLY 9 1HA GLY 9 -6.247 -13.363 1.022
38 HA3 GLY 9 2HA GLY 9 -5.166 -14.301 2.042
39 H ALA 10 H ALA 10 -5.434 -12.359 -0.725
40 HA ALA 10 HA ALA 10 -2.659 -13.005 -1.483
41 HB1 ALA 10 3HB ALA 10 -3.151 -12.901 -3.685
42 HB2 ALA 10 1HB ALA 10 -4.766 -13.321 -3.115
43 HB3 ALA 10 2HB ALA 10 -4.363 -11.640 -3.467
44 H PHE 11 H PHE 11 -3.777 -11.054 0.498
45 HA PHE 11 HA PHE 11 -2.653 -8.598 -0.681
46 HB2 PHE 11 1HB PHE 11 -4.638 -8.706 1.593
47 HB3 PHE 11 2HB PHE 11 -4.119 -7.288 0.687
48 HD1 PHE 11 1HD PHE 11 -5.892 -10.529 0.300
49 HD2 PHE 11 2HD PHE 11 -5.333 -6.568 -1.154
50 HE1 PHE 11 1HE PHE 11 -7.781 -10.834 -1.246
51 HE2 PHE 11 2HE PHE 11 -7.222 -6.867 -2.702
52 HZ PHE 11 HZ PHE 11 -8.449 -9.001 -2.749
53 H PHE 12 H PHE 12 -0.560 -8.778 -0.017
54 HA PHE 12 HA PHE 12 -0.060 -9.190 2.848
55 HB2 PHE 12 1HB PHE 12 1.887 -9.294 0.535
56 HB3 PHE 12 2HB PHE 12 2.253 -9.678 2.213
57 HD1 PHE 12 1HD PHE 12 0.093 -10.709 -0.627
58 HD2 PHE 12 2HD PHE 12 2.021 -11.850 2.991
59 HE1 PHE 12 1HE PHE 12 -0.541 -13.052 -1.032
60 HE2 PHE 12 2HE PHE 12 1.392 -14.195 2.592
61 HZ PHE 12 HZ PHE 12 0.110 -14.799 0.577
62 H CYS 13 H CYS 13 1.307 -7.785 4.001
63 HA CYS 13 HA CYS 13 1.163 -5.036 3.097
64 HB2 CYS 13 1HB CYS 13 0.581 -5.308 5.368
65 HB3 CYS 13 2HB CYS 13 1.966 -6.349 5.684
66 H ASN 14 H ASN 14 2.894 -3.675 2.724
67 HA ASN 14 HA ASN 14 5.262 -4.917 1.713
68 HB2 ASN 14 1HB ASN 14 4.340 -2.931 0.633
69 HB3 ASN 14 2HB ASN 14 4.580 -1.994 2.105
70 HD21 ASN 14 1HD2 ASN 14 6.138 -3.557 -0.588
71 HD22 ASN 14 2HD2 ASN 14 7.662 -2.761 -0.424
72 H GLU 15 H GLU 15 4.666 -2.611 4.367
73 HA GLU 15 HA GLU 15 7.222 -2.408 5.368
74 HB2 GLU 15 1HB GLU 15 4.663 -2.510 6.976
75 HB3 GLU 15 2HB GLU 15 6.196 -1.849 7.527
76 HG2 GLU 15 1HG GLU 15 4.713 -0.795 5.136
77 HG3 GLU 15 2HG GLU 15 4.490 -0.174 6.770
78 H CYS 16 H CYS 16 4.771 -4.469 6.928
79 HA CYS 16 HA CYS 16 6.934 -6.290 7.728
80 HB2 CYS 16 1HB CYS 16 5.464 -7.046 9.504
81 HB3 CYS 16 2HB CYS 16 5.569 -5.289 9.542
82 H ASP 17 H ASP 17 6.365 -8.620 7.832
83 HA ASP 17 HA ASP 17 5.091 -9.409 5.345
84 HB2 ASP 17 1HB ASP 17 7.283 -10.365 6.031
85 HB3 ASP 17 2HB ASP 17 6.488 -11.124 7.408
86 H CYS 18 H CYS 18 2.926 -8.809 6.048
87 HA CYS 18 HA CYS 18 1.719 -10.849 7.799
88 HB2 CYS 18 1HB CYS 18 1.180 -7.919 7.509
89 HB3 CYS 18 2HB CYS 18 -0.137 -8.989 7.972
90 HG CYS 18 HG CYS 18 1.727 -10.035 10.093
91 H ARG 19 H ARG 19 -0.712 -11.088 7.318
92 HA ARG 19 HA ARG 19 -1.238 -10.918 4.435
93 HB2 ARG 19 1HB ARG 19 -0.617 -13.149 4.517
94 HB3 ARG 19 2HB ARG 19 -1.229 -13.366 6.152
95 HG2 ARG 19 1HG ARG 19 -3.491 -13.407 5.369
96 HG3 ARG 19 2HG ARG 19 -2.978 -12.978 3.735
97 HD2 ARG 19 1HD ARG 19 -3.213 -15.244 3.508
98 HD3 ARG 19 2HD ARG 19 -1.516 -15.149 3.978
99 HE ARG 19 HE ARG 19 -3.705 -16.215 5.541
100 HH11 ARG 19 1HH1 ARG 19 -0.427 -15.042 5.533
101 HH12 ARG 19 2HH1 ARG 19 0.005 -15.854 7.002
102 HH21 ARG 19 1HH2 ARG 19 -3.148 -17.288 7.475
103 HH22 ARG 19 2HH2 ARG 19 -1.543 -17.132 8.105
104 H PHE 20 H PHE 20 -3.511 -11.105 3.877
105 HA PHE 20 HA PHE 20 -5.440 -10.854 6.030
106 HB2 PHE 20 1HB PHE 20 -5.138 -8.641 3.991
107 HB3 PHE 20 2HB PHE 20 -6.311 -8.710 5.302
108 HD1 PHE 20 2HD PHE 20 -5.469 -8.633 7.677
109 HD2 PHE 20 1HD PHE 20 -3.006 -7.742 4.322
110 HE1 PHE 20 2HE PHE 20 -3.888 -7.460 9.153
111 HE2 PHE 20 1HE PHE 20 -1.420 -6.569 5.793
112 HZ PHE 20 HZ PHE 20 -1.861 -6.426 8.212
113 H SER 21 H SER 21 -7.615 -11.103 5.342
114 HA SER 21 HA SER 21 -7.831 -12.547 2.812
115 HB2 SER 21 1HB SER 21 -8.682 -13.489 5.026
116 HB3 SER 21 2HB SER 21 -9.969 -12.288 4.928
117 HG SER 21 HG SER 21 -10.935 -13.734 3.753
118 H GLU 22 H GLU 22 -7.889 -9.477 3.422
119 HA GLU 22 HA GLU 22 -9.746 -8.861 1.321
120 HB2 GLU 22 1HB GLU 22 -10.893 -7.107 2.879
121 HB3 GLU 22 2HB GLU 22 -11.455 -8.773 2.874
122 HG2 GLU 22 1HG GLU 22 -9.853 -9.116 4.842
123 HG3 GLU 22 2HG GLU 22 -9.810 -7.356 4.934
124 H GLU 23 H GLU 23 -9.743 -6.506 0.813
125 HA GLU 23 HA GLU 23 -7.043 -5.483 1.094
126 HB2 GLU 23 1HB GLU 23 -7.589 -3.960 -0.651
127 HB3 GLU 23 2HB GLU 23 -8.299 -5.507 -1.091
128 HG2 GLU 23 1HG GLU 23 -9.937 -3.478 0.357
129 HG3 GLU 23 2HG GLU 23 -9.664 -3.320 -1.377
130 H ALA 24 H ALA 24 -9.939 -5.160 2.737
131 HA ALA 24 HA ALA 24 -9.798 -2.387 3.417
132 HB1 ALA 24 3HB ALA 24 -11.928 -3.432 3.543
133 HB2 ALA 24 1HB ALA 24 -11.317 -4.695 4.612
134 HB3 ALA 24 2HB ALA 24 -11.452 -3.036 5.195
135 H SER 25 H SER 25 -9.198 -5.344 5.327
136 HA SER 25 HA SER 25 -8.126 -4.046 7.564
137 HB2 SER 25 1HB SER 25 -8.884 -6.511 7.271
138 HB3 SER 25 2HB SER 25 -7.231 -6.792 6.725
139 HG SER 25 HG SER 25 -6.546 -5.856 8.741
140 H LEU 26 H LEU 26 -6.782 -4.660 4.473
141 HA LEU 26 HA LEU 26 -4.027 -4.598 5.255
142 HB2 LEU 26 1HB LEU 26 -4.450 -5.712 3.246
143 HB3 LEU 26 2HB LEU 26 -5.480 -4.417 2.641
144 HG LEU 26 HG LEU 26 -3.470 -2.998 2.371
145 HD11 LEU 26 1HD1 LEU 26 -1.450 -3.568 3.118
146 HD12 LEU 26 2HD1 LEU 26 -1.583 -5.207 2.482
147 HD13 LEU 26 3HD1 LEU 26 -2.272 -4.814 4.057
148 HD21 LEU 26 3HD2 LEU 26 -3.039 -3.819 0.300
149 HD22 LEU 26 1HD2 LEU 26 -4.445 -4.814 0.681
150 HD23 LEU 26 2HD2 LEU 26 -2.820 -5.472 0.877
151 H LYS 27 H LYS 27 -6.075 -2.283 3.470
152 HA LYS 27 HA LYS 27 -4.279 -0.171 3.396
153 HB2 LYS 27 1HB LYS 27 -7.241 -0.412 3.244
154 HB3 LYS 27 2HB LYS 27 -6.574 1.194 3.505
155 HG2 LYS 27 1HG LYS 27 -5.119 0.785 1.484
156 HG3 LYS 27 2HG LYS 27 -6.103 -0.649 1.179
157 HD2 LYS 27 1HD LYS 27 -8.107 0.748 1.064
158 HD3 LYS 27 2HD LYS 27 -7.131 2.183 1.388
159 HE2 LYS 27 1HE LYS 27 -6.496 0.393 -0.927
160 HE3 LYS 27 2HE LYS 27 -7.767 1.608 -1.056
161 HZ1 LYS 27 3HZ LYS 27 -4.900 1.940 -0.999
162 HZ2 LYS 27 1HZ LYS 27 -5.741 3.025 -0.009
163 HZ3 LYS 27 2HZ LYS 27 -6.093 2.940 -1.661
164 H ARG 28 H ARG 28 -6.839 -0.779 5.800
165 HA ARG 28 HA ARG 28 -6.263 1.409 7.452
166 HB2 ARG 28 1HB ARG 28 -8.333 0.008 7.545
167 HB3 ARG 28 2HB ARG 28 -7.388 -1.258 8.316
168 HG2 ARG 28 1HG ARG 28 -6.804 0.555 10.057
169 HG3 ARG 28 2HG ARG 28 -8.196 1.411 9.391
170 HD2 ARG 28 1HD ARG 28 -9.693 -0.170 10.135
171 HD3 ARG 28 2HD ARG 28 -8.487 -1.455 10.154
172 HE ARG 28 HE ARG 28 -7.926 -0.858 12.297
173 HH11 ARG 28 1HH1 ARG 28 -9.880 1.645 10.870
174 HH12 ARG 28 2HH1 ARG 28 -10.081 2.515 12.354
175 HH21 ARG 28 1HH2 ARG 28 -8.184 0.279 14.258
176 HH22 ARG 28 2HH2 ARG 28 -9.115 1.738 14.281
177 H HIS 29 H HIS 29 -4.942 -1.853 7.358
178 HA HIS 29 HA HIS 29 -3.504 -1.730 9.784
179 HB2 HIS 29 1HB HIS 29 -3.700 -3.897 9.013
180 HB3 HIS 29 2HB HIS 29 -3.398 -3.442 7.339
181 HD1 HIS 29 1HD HIS 29 -1.789 -4.905 10.239
182 HD2 HIS 29 2HD HIS 29 -0.560 -2.830 6.856
183 HE1 HIS 29 1HE HIS 29 0.677 -5.352 10.035
184 H THR 30 H THR 30 -2.352 -1.365 6.427
185 HA THR 30 HA THR 30 0.265 -0.662 6.970
186 HB THR 30 HB THR 30 -1.382 0.497 4.717
187 HG1 THR 30 1HG THR 30 0.159 -1.862 4.517
188 HG21 THR 30 3HG2 THR 30 1.566 -0.130 4.904
189 HG22 THR 30 1HG2 THR 30 0.860 1.480 5.034
190 HG23 THR 30 2HG2 THR 30 0.732 0.581 3.523
191 H LEU 31 H LEU 31 -2.593 1.137 7.535
192 HA LEU 31 HA LEU 31 -1.236 3.703 7.627
193 HB2 LEU 31 1HB LEU 31 -4.038 2.755 7.847
194 HB3 LEU 31 2HB LEU 31 -3.626 4.266 8.655
195 HG LEU 31 HG LEU 31 -3.070 3.799 5.736
196 HD11 LEU 31 1HD1 LEU 31 -5.510 3.514 6.338
197 HD12 LEU 31 2HD1 LEU 31 -5.139 4.775 5.162
198 HD13 LEU 31 3HD1 LEU 31 -5.489 5.206 6.836
199 HD21 LEU 31 3HD2 LEU 31 -2.044 5.757 5.961
200 HD22 LEU 31 1HD2 LEU 31 -2.603 5.926 7.626
201 HD23 LEU 31 2HD2 LEU 31 -3.621 6.476 6.294
202 H GLN 32 H GLN 32 -3.224 1.868 9.957
203 HA GLN 32 HA GLN 32 -2.297 3.309 12.205
204 HB2 GLN 32 1HB GLN 32 -4.407 1.784 11.881
205 HB3 GLN 32 2HB GLN 32 -3.332 0.511 12.444
206 HG2 GLN 32 1HG GLN 32 -4.340 1.198 14.391
207 HG3 GLN 32 2HG GLN 32 -2.842 2.126 14.402
208 HE21 GLN 32 1HE2 GLN 32 -5.941 2.558 12.734
209 HE22 GLN 32 2HE2 GLN 32 -6.236 4.153 13.330
210 H THR 33 H THR 33 -1.651 -0.080 11.290
211 HA THR 33 HA THR 33 0.321 -0.608 13.155
212 HB THR 33 HB THR 33 0.374 -1.715 10.349
213 HG1 THR 33 1HG THR 33 -1.010 -3.386 11.545
214 HG21 THR 33 3HG2 THR 33 0.920 -3.256 12.848
215 HG22 THR 33 1HG2 THR 33 2.165 -2.185 12.207
216 HG23 THR 33 2HG2 THR 33 1.541 -3.505 11.217
217 H HIS 34 H HIS 34 0.593 0.945 10.004
218 HA HIS 34 HA HIS 34 3.346 1.711 10.703
219 HB2 HIS 34 1HB HIS 34 2.446 1.070 7.892
220 HB3 HIS 34 2HB HIS 34 4.087 1.390 8.447
221 HD1 HIS 34 1HD HIS 34 5.285 -0.522 9.759
222 HD2 HIS 34 2HD HIS 34 1.555 -1.537 8.237
223 HE1 HIS 34 1HE HIS 34 5.157 -3.029 9.909
224 H SER 35 H SER 35 2.342 3.669 11.482
225 HA SER 35 HA SER 35 0.959 5.381 9.624
226 HB2 SER 35 1HB SER 35 1.948 5.776 12.451
227 HB3 SER 35 2HB SER 35 1.158 7.056 11.529
228 HG SER 35 HG SER 35 -0.539 5.310 11.222
229 H ASP 36 H ASP 36 2.200 6.058 7.964
230 HA ASP 36 HA ASP 36 4.591 7.627 8.650
231 HB2 ASP 36 1HB ASP 36 5.628 5.760 7.740
232 HB3 ASP 36 2HB ASP 36 4.310 5.450 6.613
233 H LYS 37 H LYS 37 4.515 9.636 7.903
234 HA LYS 37 HA LYS 37 2.372 10.788 6.637
235 HB2 LYS 37 1HB LYS 37 3.911 12.652 6.041
236 HB3 LYS 37 2HB LYS 37 4.046 12.142 7.719
237 HG2 LYS 37 1HG LYS 37 6.249 12.300 7.204
238 HG3 LYS 37 2HG LYS 37 5.970 10.624 6.724
239 HD2 LYS 37 1HD LYS 37 5.781 11.238 4.425
240 HD3 LYS 37 2HD LYS 37 5.767 12.957 4.826
241 HE2 LYS 37 1HE LYS 37 8.022 13.024 5.211
242 HE3 LYS 37 2HE LYS 37 8.101 11.329 5.690
243 HZ1 LYS 37 3HZ LYS 37 7.398 11.125 3.117
244 HZ2 LYS 37 1HZ LYS 37 8.997 11.075 3.667
245 HZ3 LYS 37 2HZ LYS 37 8.354 12.519 3.066
246 H SER 38 H SER 38 1.990 11.545 4.502
247 HA SER 38 HA SER 38 3.426 10.040 2.415
248 HB2 SER 38 1HB SER 38 1.295 9.876 1.178
249 HB3 SER 38 2HB SER 38 1.195 9.086 2.751
250 HG SER 38 HG SER 38 0.372 11.332 3.391
251 H GLY 39 H GLY 39 4.390 11.283 0.957
252 HA2 GLY 39 1HA GLY 39 3.134 13.719 0.014
253 HA3 GLY 39 2HA GLY 39 4.623 13.965 0.915
254 HA PRO 40 HA PRO 40 6.831 13.485 -2.851
255 HB2 PRO 40 1HB PRO 40 9.265 12.809 -1.856
256 HB3 PRO 40 2HB PRO 40 8.610 14.448 -1.761
257 HG2 PRO 40 1HG PRO 40 8.659 12.304 0.328
258 HG3 PRO 40 2HG PRO 40 9.000 14.037 0.494
259 HD2 PRO 40 1HD PRO 40 6.627 12.944 1.206
260 HD3 PRO 40 2HD PRO 40 6.766 14.597 0.574
261 H SER 41 H SER 41 7.025 11.886 -4.296
262 HA SER 41 HA SER 41 6.246 9.327 -4.003
263 HB2 SER 41 1HB SER 41 7.728 8.750 -5.950
264 HB3 SER 41 2HB SER 41 6.747 10.195 -6.194
265 HG SER 41 HG SER 41 9.044 10.343 -6.780
266 H SER 42 H SER 42 9.591 10.451 -3.575
267 HA SER 42 HA SER 42 10.644 7.915 -2.888
268 HB2 SER 42 1HB SER 42 11.711 10.655 -2.163
269 HB3 SER 42 2HB SER 42 12.622 9.145 -2.144
270 HG SER 42 HG SER 42 11.341 9.848 -4.518
271 H GLY 43 H GLY 43 10.971 6.929 -0.939
272 HA2 GLY 43 1HA GLY 43 11.134 7.553 1.566
273 HA3 GLY 43 2HA GLY 43 9.475 8.076 1.320
Start of MODEL 6
1 H1 GLY 1 H GLY 1 2.763 -27.956 -6.836
2 HA2 GLY 1 1HA GLY 1 1.416 -25.625 -6.900
3 HA3 GLY 1 2HA GLY 1 0.737 -26.473 -8.282
4 H SER 2 H SER 2 -1.202 -27.220 -7.758
5 HA SER 2 HA SER 2 -2.948 -27.949 -6.442
6 HB2 SER 2 1HB SER 2 -0.864 -30.059 -5.829
7 HB3 SER 2 2HB SER 2 -2.611 -30.253 -5.683
8 HG SER 2 HG SER 2 -1.603 -29.411 -8.143
9 H SER 3 H SER 3 -1.863 -25.915 -5.081
10 HA SER 3 HA SER 3 -1.190 -26.785 -2.389
11 HB2 SER 3 1HB SER 3 -0.971 -24.325 -1.949
12 HB3 SER 3 2HB SER 3 0.072 -24.914 -3.244
13 HG SER 3 HG SER 3 -0.833 -23.225 -4.194
14 H GLY 4 H GLY 4 -3.690 -24.776 -3.947
15 HA2 GLY 4 1HA GLY 4 -5.982 -24.806 -3.438
16 HA3 GLY 4 2HA GLY 4 -5.624 -25.720 -1.980
17 H SER 5 H SER 5 -5.207 -24.654 -0.076
18 HA SER 5 HA SER 5 -5.665 -21.746 -0.144
19 HB2 SER 5 1HB SER 5 -6.480 -23.878 1.800
20 HB3 SER 5 2HB SER 5 -6.282 -22.218 2.362
21 HG SER 5 HG SER 5 -8.147 -21.803 1.517
22 H SER 6 H SER 6 -4.084 -24.191 1.920
23 HA SER 6 HA SER 6 -2.361 -22.389 3.213
24 HB2 SER 6 1HB SER 6 -1.056 -24.436 3.828
25 HB3 SER 6 2HB SER 6 -2.780 -24.567 4.171
26 HG SER 6 HG SER 6 -1.891 -25.445 1.679
27 H GLY 7 H GLY 7 -0.516 -21.442 2.618
28 HA2 GLY 7 1HA GLY 7 1.690 -21.967 1.465
29 HA3 GLY 7 2HA GLY 7 0.686 -22.294 0.060
30 H ASN 8 H ASN 8 -1.126 -20.220 0.183
31 HA ASN 8 HA ASN 8 0.570 -17.819 0.021
32 HB2 ASN 8 1HB ASN 8 -0.937 -17.147 -1.936
33 HB3 ASN 8 2HB ASN 8 0.250 -18.411 -2.243
34 HD21 ASN 8 1HD2 ASN 8 -3.087 -18.081 -1.080
35 HD22 ASN 8 2HD2 ASN 8 -3.709 -19.423 -1.972
36 H GLY 9 H GLY 9 -0.979 -15.812 -0.294
37 HA2 GLY 9 1HA GLY 9 -3.242 -16.112 1.580
38 HA3 GLY 9 2HA GLY 9 -2.093 -14.791 1.735
39 H ALA 10 H ALA 10 -4.116 -13.512 1.598
40 HA ALA 10 HA ALA 10 -5.064 -13.203 -1.169
41 HB1 ALA 10 3HB ALA 10 -7.047 -13.342 -0.137
42 HB2 ALA 10 1HB ALA 10 -6.355 -12.988 1.447
43 HB3 ALA 10 2HB ALA 10 -6.746 -11.671 0.340
44 H PHE 11 H PHE 11 -3.808 -11.429 1.615
45 HA PHE 11 HA PHE 11 -2.830 -9.358 -0.178
46 HB2 PHE 11 1HB PHE 11 -4.821 -8.877 2.024
47 HB3 PHE 11 2HB PHE 11 -3.707 -7.611 1.519
48 HD1 PHE 11 2HD PHE 11 -3.844 -6.668 -0.742
49 HD2 PHE 11 1HD PHE 11 -6.671 -9.521 0.668
50 HE1 PHE 11 2HE PHE 11 -5.367 -6.060 -2.575
51 HE2 PHE 11 1HE PHE 11 -8.199 -8.917 -1.164
52 HZ PHE 11 HZ PHE 11 -7.548 -7.184 -2.788
53 H PHE 12 H PHE 12 -0.798 -8.905 0.331
54 HA PHE 12 HA PHE 12 0.110 -9.449 3.080
55 HB2 PHE 12 1HB PHE 12 1.638 -9.607 0.475
56 HB3 PHE 12 2HB PHE 12 2.370 -9.785 2.067
57 HD1 PHE 12 1HD PHE 12 -0.321 -11.222 -0.066
58 HD2 PHE 12 2HD PHE 12 2.549 -11.884 3.007
59 HE1 PHE 12 1HE PHE 12 -0.842 -13.627 -0.101
60 HE2 PHE 12 2HE PHE 12 2.033 -14.289 2.976
61 HZ PHE 12 HZ PHE 12 0.336 -15.164 1.420
62 H CYS 13 H CYS 13 0.845 -7.791 4.232
63 HA CYS 13 HA CYS 13 0.685 -5.148 3.428
64 HB2 CYS 13 1HB CYS 13 0.761 -5.767 5.774
65 HB3 CYS 13 2HB CYS 13 2.405 -6.371 5.594
66 H ASN 14 H ASN 14 2.371 -3.548 3.111
67 HA ASN 14 HA ASN 14 4.448 -4.563 1.344
68 HB2 ASN 14 1HB ASN 14 3.429 -1.786 1.944
69 HB3 ASN 14 2HB ASN 14 4.827 -2.085 0.916
70 HD21 ASN 14 1HD2 ASN 14 4.490 -3.436 -0.978
71 HD22 ASN 14 2HD2 ASN 14 2.959 -3.390 -1.777
72 H GLU 15 H GLU 15 4.251 -2.344 4.128
73 HA GLU 15 HA GLU 15 7.015 -2.052 4.493
74 HB2 GLU 15 1HB GLU 15 4.659 -1.727 6.334
75 HB3 GLU 15 2HB GLU 15 6.303 -1.486 6.907
76 HG2 GLU 15 1HG GLU 15 4.780 0.089 4.868
77 HG3 GLU 15 2HG GLU 15 5.542 0.647 6.356
78 H CYS 16 H CYS 16 4.751 -4.063 6.383
79 HA CYS 16 HA CYS 16 7.032 -5.774 7.119
80 HB2 CYS 16 1HB CYS 16 5.939 -6.306 9.142
81 HB3 CYS 16 2HB CYS 16 5.694 -4.574 8.941
82 H ASP 17 H ASP 17 6.199 -8.091 7.706
83 HA ASP 17 HA ASP 17 4.757 -9.050 5.341
84 HB2 ASP 17 1HB ASP 17 7.106 -9.896 6.147
85 HB3 ASP 17 2HB ASP 17 6.157 -10.864 7.271
86 H CYS 18 H CYS 18 2.665 -9.438 5.576
87 HA CYS 18 HA CYS 18 1.723 -10.936 7.879
88 HB2 CYS 18 1HB CYS 18 1.570 -8.328 8.230
89 HB3 CYS 18 2HB CYS 18 0.161 -8.480 7.186
90 HG CYS 18 HG CYS 18 0.453 -9.127 10.401
91 H ARG 19 H ARG 19 -0.801 -11.219 7.593
92 HA ARG 19 HA ARG 19 -1.404 -11.605 4.743
93 HB2 ARG 19 1HB ARG 19 -1.745 -13.642 6.949
94 HB3 ARG 19 2HB ARG 19 -2.454 -13.800 5.348
95 HG2 ARG 19 1HG ARG 19 -0.170 -13.715 4.385
96 HG3 ARG 19 2HG ARG 19 0.476 -13.715 6.027
97 HD2 ARG 19 1HD ARG 19 -0.135 -15.894 6.413
98 HD3 ARG 19 2HD ARG 19 -1.458 -15.841 5.249
99 HE ARG 19 HE ARG 19 0.681 -15.629 3.655
100 HH11 ARG 19 1HH1 ARG 19 -0.043 -17.805 6.274
101 HH12 ARG 19 2HH1 ARG 19 0.882 -19.114 5.615
102 HH21 ARG 19 1HH2 ARG 19 1.902 -17.344 2.777
103 HH22 ARG 19 2HH2 ARG 19 1.988 -18.850 3.626
104 H PHE 20 H PHE 20 -3.454 -11.135 4.147
105 HA PHE 20 HA PHE 20 -5.472 -10.736 6.234
106 HB2 PHE 20 1HB PHE 20 -4.953 -8.723 4.038
107 HB3 PHE 20 2HB PHE 20 -6.130 -8.587 5.341
108 HD1 PHE 20 2HD PHE 20 -4.941 -8.973 7.765
109 HD2 PHE 20 1HD PHE 20 -3.097 -7.414 4.260
110 HE1 PHE 20 2HE PHE 20 -3.266 -7.831 9.159
111 HE2 PHE 20 1HE PHE 20 -1.418 -6.271 5.648
112 HZ PHE 20 HZ PHE 20 -1.502 -6.477 8.101
113 H SER 21 H SER 21 -7.677 -10.307 5.187
114 HA SER 21 HA SER 21 -7.996 -12.237 3.000
115 HB2 SER 21 1HB SER 21 -9.298 -12.837 4.914
116 HB3 SER 21 2HB SER 21 -9.924 -11.197 5.082
117 HG SER 21 HG SER 21 -11.169 -11.486 3.288
118 H GLU 22 H GLU 22 -9.172 -9.050 4.055
119 HA GLU 22 HA GLU 22 -9.994 -8.501 1.288
120 HB2 GLU 22 1HB GLU 22 -10.858 -7.394 3.941
121 HB3 GLU 22 2HB GLU 22 -11.129 -6.479 2.465
122 HG2 GLU 22 1HG GLU 22 -12.190 -9.215 3.120
123 HG3 GLU 22 2HG GLU 22 -13.107 -7.715 2.999
124 H GLU 23 H GLU 23 -9.627 -6.283 0.487
125 HA GLU 23 HA GLU 23 -6.892 -5.553 0.797
126 HB2 GLU 23 1HB GLU 23 -7.256 -3.994 -0.926
127 HB3 GLU 23 2HB GLU 23 -8.340 -5.328 -1.298
128 HG2 GLU 23 1HG GLU 23 -10.069 -3.905 0.051
129 HG3 GLU 23 2HG GLU 23 -8.971 -2.582 -0.339
130 H ALA 24 H ALA 24 -9.918 -4.347 2.071
131 HA ALA 24 HA ALA 24 -9.051 -1.843 2.993
132 HB1 ALA 24 3HB ALA 24 -11.431 -3.129 2.956
133 HB2 ALA 24 1HB ALA 24 -11.029 -3.227 4.670
134 HB3 ALA 24 2HB ALA 24 -11.113 -1.656 3.872
135 H SER 25 H SER 25 -8.813 -5.060 4.387
136 HA SER 25 HA SER 25 -8.055 -4.305 6.991
137 HB2 SER 25 1HB SER 25 -7.746 -6.798 5.354
138 HB3 SER 25 2HB SER 25 -6.910 -6.665 6.901
139 HG SER 25 HG SER 25 -9.092 -7.602 6.935
140 H LEU 26 H LEU 26 -6.125 -5.083 4.116
141 HA LEU 26 HA LEU 26 -3.599 -4.818 5.320
142 HB2 LEU 26 1HB LEU 26 -4.202 -5.823 3.056
143 HB3 LEU 26 2HB LEU 26 -4.197 -4.168 2.448
144 HG LEU 26 HG LEU 26 -1.847 -5.651 3.626
145 HD11 LEU 26 1HD1 LEU 26 -1.985 -6.505 1.513
146 HD12 LEU 26 2HD1 LEU 26 -1.043 -5.050 1.192
147 HD13 LEU 26 3HD1 LEU 26 -2.775 -5.069 0.861
148 HD21 LEU 26 3HD2 LEU 26 -1.610 -3.369 4.233
149 HD22 LEU 26 1HD2 LEU 26 -2.146 -2.820 2.645
150 HD23 LEU 26 2HD2 LEU 26 -0.587 -3.626 2.819
151 H LYS 27 H LYS 27 -5.095 -2.526 3.032
152 HA LYS 27 HA LYS 27 -3.438 -0.398 3.318
153 HB2 LYS 27 1HB LYS 27 -6.355 -0.640 2.784
154 HB3 LYS 27 2HB LYS 27 -5.730 0.965 3.140
155 HG2 LYS 27 1HG LYS 27 -5.514 0.961 0.878
156 HG3 LYS 27 2HG LYS 27 -3.941 0.295 1.322
157 HD2 LYS 27 1HD LYS 27 -4.565 -1.239 -0.249
158 HD3 LYS 27 2HD LYS 27 -5.281 -1.987 1.181
159 HE2 LYS 27 1HE LYS 27 -6.682 -0.251 -0.849
160 HE3 LYS 27 2HE LYS 27 -6.882 -1.989 -0.629
161 HZ1 LYS 27 3HZ LYS 27 -7.733 -1.529 1.616
162 HZ2 LYS 27 1HZ LYS 27 -8.690 -0.828 0.410
163 HZ3 LYS 27 2HZ LYS 27 -7.628 0.132 1.311
164 H ARG 28 H ARG 28 -6.206 -1.137 5.423
165 HA ARG 28 HA ARG 28 -5.895 1.077 7.135
166 HB2 ARG 28 1HB ARG 28 -7.878 -0.575 6.890
167 HB3 ARG 28 2HB ARG 28 -7.003 -1.559 8.055
168 HG2 ARG 28 1HG ARG 28 -8.535 -0.307 9.311
169 HG3 ARG 28 2HG ARG 28 -6.977 0.485 9.551
170 HD2 ARG 28 1HD ARG 28 -7.598 2.088 7.743
171 HD3 ARG 28 2HD ARG 28 -9.200 1.351 7.708
172 HE ARG 28 HE ARG 28 -8.607 2.131 10.339
173 HH11 ARG 28 1HH1 ARG 28 -9.315 3.520 7.226
174 HH12 ARG 28 2HH1 ARG 28 -10.022 4.959 7.884
175 HH21 ARG 28 1HH2 ARG 28 -9.536 4.020 11.217
176 HH22 ARG 28 2HH2 ARG 28 -10.146 5.242 10.154
177 H HIS 29 H HIS 29 -4.816 -2.298 7.479
178 HA HIS 29 HA HIS 29 -3.612 -2.169 9.946
179 HB2 HIS 29 1HB HIS 29 -3.604 -4.305 9.083
180 HB3 HIS 29 2HB HIS 29 -3.095 -3.773 7.484
181 HD1 HIS 29 1HD HIS 29 -1.832 -5.216 10.585
182 HD2 HIS 29 2HD HIS 29 -0.251 -3.135 7.355
183 HE1 HIS 29 1HE HIS 29 0.652 -5.597 10.691
184 H THR 30 H THR 30 -2.295 -1.168 6.824
185 HA THR 30 HA THR 30 0.315 -0.580 7.730
186 HB THR 30 HB THR 30 -1.181 0.620 5.390
187 HG1 THR 30 1HG THR 30 -0.994 -1.420 4.777
188 HG21 THR 30 3HG2 THR 30 1.119 1.575 6.432
189 HG22 THR 30 1HG2 THR 30 0.729 1.631 4.713
190 HG23 THR 30 2HG2 THR 30 1.757 0.344 5.343
191 H LEU 31 H LEU 31 -2.550 1.474 7.274
192 HA LEU 31 HA LEU 31 -1.353 3.896 8.038
193 HB2 LEU 31 1HB LEU 31 -3.397 4.059 6.920
194 HB3 LEU 31 2HB LEU 31 -4.180 2.906 7.999
195 HG LEU 31 HG LEU 31 -3.749 4.792 9.787
196 HD11 LEU 31 1HD1 LEU 31 -2.548 6.096 7.858
197 HD12 LEU 31 2HD1 LEU 31 -3.552 6.946 9.032
198 HD13 LEU 31 3HD1 LEU 31 -4.195 6.564 7.435
199 HD21 LEU 31 3HD2 LEU 31 -5.923 4.721 7.710
200 HD22 LEU 31 1HD2 LEU 31 -5.977 5.779 9.120
201 HD23 LEU 31 2HD2 LEU 31 -5.939 4.029 9.332
202 H GLN 32 H GLN 32 -3.046 1.423 9.917
203 HA GLN 32 HA GLN 32 -2.795 2.891 12.381
204 HB2 GLN 32 1HB GLN 32 -4.669 1.288 11.844
205 HB3 GLN 32 2HB GLN 32 -3.511 -0.021 12.038
206 HG2 GLN 32 1HG GLN 32 -4.904 0.372 14.035
207 HG3 GLN 32 2HG GLN 32 -3.175 0.532 14.341
208 HE21 GLN 32 1HE2 GLN 32 -3.723 1.739 16.217
209 HE22 GLN 32 2HE2 GLN 32 -4.165 3.405 16.094
210 H THR 33 H THR 33 -1.594 -0.330 11.422
211 HA THR 33 HA THR 33 0.225 -0.684 13.465
212 HB THR 33 HB THR 33 0.639 -1.622 10.621
213 HG1 THR 33 1HG THR 33 -0.920 -2.711 12.743
214 HG21 THR 33 3HG2 THR 33 1.444 -3.011 13.165
215 HG22 THR 33 1HG2 THR 33 2.506 -1.864 12.350
216 HG23 THR 33 2HG2 THR 33 1.989 -3.331 11.519
217 H HIS 34 H HIS 34 0.791 0.799 10.283
218 HA HIS 34 HA HIS 34 3.386 1.773 11.263
219 HB2 HIS 34 1HB HIS 34 2.453 1.813 8.396
220 HB3 HIS 34 2HB HIS 34 4.099 1.951 9.006
221 HD1 HIS 34 1HD HIS 34 4.407 -0.468 10.737
222 HD2 HIS 34 2HD HIS 34 2.366 -0.564 7.120
223 HE1 HIS 34 1HE HIS 34 4.447 -2.874 10.007
224 H SER 35 H SER 35 3.497 3.818 11.882
225 HA SER 35 HA SER 35 2.089 5.886 10.414
226 HB2 SER 35 1HB SER 35 0.897 6.789 12.292
227 HB3 SER 35 2HB SER 35 0.493 5.075 12.194
228 HG SER 35 HG SER 35 1.078 5.106 14.220
229 H ASP 36 H ASP 36 3.214 7.745 10.361
230 HA ASP 36 HA ASP 36 5.401 8.097 12.300
231 HB2 ASP 36 1HB ASP 36 6.763 9.063 10.435
232 HB3 ASP 36 2HB ASP 36 6.436 7.341 10.264
233 H LYS 37 H LYS 37 6.330 10.459 11.941
234 HA LYS 37 HA LYS 37 4.143 12.353 11.496
235 HB2 LYS 37 1HB LYS 37 4.429 13.452 13.585
236 HB3 LYS 37 2HB LYS 37 4.275 11.737 13.943
237 HG2 LYS 37 1HG LYS 37 6.034 12.257 15.285
238 HG3 LYS 37 2HG LYS 37 6.907 11.825 13.813
239 HD2 LYS 37 1HD LYS 37 7.914 13.822 14.305
240 HD3 LYS 37 2HD LYS 37 6.592 14.389 13.281
241 HE2 LYS 37 1HE LYS 37 6.316 14.196 16.265
242 HE3 LYS 37 2HE LYS 37 7.008 15.619 15.489
243 HZ1 LYS 37 3HZ LYS 37 4.874 16.277 15.456
244 HZ2 LYS 37 1HZ LYS 37 4.257 14.705 15.566
245 HZ3 LYS 37 2HZ LYS 37 4.775 15.307 14.073
246 H SER 38 H SER 38 4.773 14.299 10.678
247 HA SER 38 HA SER 38 7.601 15.006 10.659
248 HB2 SER 38 1HB SER 38 7.251 13.624 8.626
249 HB3 SER 38 2HB SER 38 6.004 14.753 8.098
250 HG SER 38 HG SER 38 7.706 16.394 8.232
251 H GLY 39 H GLY 39 7.675 17.040 11.329
252 HA2 GLY 39 1HA GLY 39 5.389 18.762 11.243
253 HA3 GLY 39 2HA GLY 39 6.994 19.189 11.817
254 HA PRO 40 HA PRO 40 7.434 21.737 8.266
255 HB2 PRO 40 1HB PRO 40 10.142 21.910 8.184
256 HB3 PRO 40 2HB PRO 40 9.162 22.752 9.390
257 HG2 PRO 40 1HG PRO 40 10.681 20.185 9.640
258 HG3 PRO 40 2HG PRO 40 10.564 21.532 10.787
259 HD2 PRO 40 1HD PRO 40 9.120 19.258 11.060
260 HD3 PRO 40 2HD PRO 40 8.514 20.843 11.583
261 H SER 41 H SER 41 9.029 18.634 8.472
262 HA SER 41 HA SER 41 9.680 18.619 5.637
263 HB2 SER 41 1HB SER 41 11.115 17.603 7.547
264 HB3 SER 41 2HB SER 41 9.976 16.258 7.477
265 HG SER 41 HG SER 41 11.437 15.657 6.026
266 H SER 42 H SER 42 9.127 16.505 4.450
267 HA SER 42 HA SER 42 7.507 15.287 3.413
268 HB2 SER 42 1HB SER 42 7.708 14.236 5.820
269 HB3 SER 42 2HB SER 42 6.090 14.907 6.025
270 HG SER 42 HG SER 42 6.684 12.646 4.905
271 H GLY 43 H GLY 43 7.078 18.025 3.336
272 HA2 GLY 43 1HA GLY 43 5.194 19.067 2.269
273 HA3 GLY 43 2HA GLY 43 4.135 18.095 3.280
Start of MODEL 7
1 H1 GLY 1 H GLY 1 6.053 -22.917 -9.346
2 HA2 GLY 1 1HA GLY 1 5.076 -22.770 -11.851
3 HA3 GLY 1 2HA GLY 1 5.281 -24.503 -11.645
4 H SER 2 H SER 2 3.122 -22.030 -11.389
5 HA SER 2 HA SER 2 1.167 -23.671 -10.110
6 HB2 SER 2 1HB SER 2 2.420 -21.408 -8.587
7 HB3 SER 2 2HB SER 2 0.727 -21.820 -8.318
8 HG SER 2 HG SER 2 3.008 -23.453 -7.937
9 H SER 3 H SER 3 -0.883 -22.228 -9.655
10 HA SER 3 HA SER 3 -1.104 -20.122 -11.683
11 HB2 SER 3 1HB SER 3 -2.662 -22.675 -11.555
12 HB3 SER 3 2HB SER 3 -3.463 -21.214 -12.134
13 HG SER 3 HG SER 3 -1.732 -21.021 -13.667
14 H GLY 4 H GLY 4 -1.829 -18.359 -10.706
15 HA2 GLY 4 1HA GLY 4 -3.203 -16.992 -9.453
16 HA3 GLY 4 2HA GLY 4 -4.204 -18.394 -9.107
17 H SER 5 H SER 5 -3.555 -16.366 -7.241
18 HA SER 5 HA SER 5 -1.411 -17.053 -5.551
19 HB2 SER 5 1HB SER 5 -2.553 -15.664 -3.863
20 HB3 SER 5 2HB SER 5 -2.525 -14.870 -5.438
21 HG SER 5 HG SER 5 -4.689 -15.710 -5.730
22 H SER 6 H SER 6 -1.201 -18.468 -3.907
23 HA SER 6 HA SER 6 -2.698 -20.775 -3.764
24 HB2 SER 6 1HB SER 6 -0.431 -20.440 -2.762
25 HB3 SER 6 2HB SER 6 -1.189 -19.542 -1.448
26 HG SER 6 HG SER 6 -1.118 -21.555 -0.671
27 H GLY 7 H GLY 7 -2.854 -18.042 -1.470
28 HA2 GLY 7 1HA GLY 7 -5.300 -19.095 -0.318
29 HA3 GLY 7 2HA GLY 7 -4.443 -17.647 0.191
30 H ASN 8 H ASN 8 -6.866 -17.059 0.264
31 HA ASN 8 HA ASN 8 -8.020 -16.372 -2.297
32 HB2 ASN 8 1HB ASN 8 -9.978 -15.870 -1.140
33 HB3 ASN 8 2HB ASN 8 -9.264 -17.130 -0.139
34 HD21 ASN 8 1HD2 ASN 8 -8.774 -16.695 1.924
35 HD22 ASN 8 2HD2 ASN 8 -8.952 -15.148 2.672
36 H GLY 9 H GLY 9 -6.730 -14.642 0.525
37 HA2 GLY 9 1HA GLY 9 -6.880 -12.125 -0.975
38 HA3 GLY 9 2HA GLY 9 -6.593 -12.279 0.751
39 H ALA 10 H ALA 10 -5.166 -12.270 -2.408
40 HA ALA 10 HA ALA 10 -2.519 -12.939 -1.476
41 HB1 ALA 10 3HB ALA 10 -3.571 -13.333 -3.827
42 HB2 ALA 10 1HB ALA 10 -3.041 -11.678 -4.131
43 HB3 ALA 10 2HB ALA 10 -1.864 -12.914 -3.685
44 H PHE 11 H PHE 11 -3.576 -10.786 -0.041
45 HA PHE 11 HA PHE 11 -2.081 -8.472 -1.071
46 HB2 PHE 11 1HB PHE 11 -4.066 -8.393 1.194
47 HB3 PHE 11 2HB PHE 11 -3.494 -7.062 0.194
48 HD1 PHE 11 2HD PHE 11 -3.901 -7.700 -2.473
49 HD2 PHE 11 1HD PHE 11 -6.267 -8.895 0.858
50 HE1 PHE 11 2HE PHE 11 -5.843 -7.980 -3.957
51 HE2 PHE 11 1HE PHE 11 -8.213 -9.178 -0.621
52 HZ PHE 11 HZ PHE 11 -8.003 -8.719 -3.032
53 H PHE 12 H PHE 12 -0.027 -8.880 -0.364
54 HA PHE 12 HA PHE 12 0.361 -9.375 2.504
55 HB2 PHE 12 1HB PHE 12 1.969 -9.957 0.061
56 HB3 PHE 12 2HB PHE 12 2.832 -9.672 1.569
57 HD1 PHE 12 2HD PHE 12 2.293 -11.115 3.560
58 HD2 PHE 12 1HD PHE 12 0.932 -12.009 -0.373
59 HE1 PHE 12 2HE PHE 12 1.882 -13.445 4.236
60 HE2 PHE 12 1HE PHE 12 0.519 -14.340 0.297
61 HZ PHE 12 HZ PHE 12 0.995 -15.061 2.603
62 H CYS 13 H CYS 13 1.147 -7.843 3.801
63 HA CYS 13 HA CYS 13 1.478 -5.186 2.906
64 HB2 CYS 13 1HB CYS 13 0.755 -5.669 5.177
65 HB3 CYS 13 2HB CYS 13 2.277 -6.487 5.517
66 H ASN 14 H ASN 14 3.172 -4.205 2.029
67 HA ASN 14 HA ASN 14 5.581 -5.554 1.461
68 HB2 ASN 14 1HB ASN 14 6.374 -3.193 0.829
69 HB3 ASN 14 2HB ASN 14 4.986 -3.841 -0.042
70 HD21 ASN 14 1HD2 ASN 14 3.042 -2.854 0.126
71 HD22 ASN 14 2HD2 ASN 14 2.773 -1.396 1.014
72 H GLU 15 H GLU 15 4.806 -3.010 3.817
73 HA GLU 15 HA GLU 15 7.336 -2.596 4.867
74 HB2 GLU 15 1HB GLU 15 4.671 -2.533 6.294
75 HB3 GLU 15 2HB GLU 15 6.167 -1.873 6.940
76 HG2 GLU 15 1HG GLU 15 5.030 -0.967 4.318
77 HG3 GLU 15 2HG GLU 15 4.543 -0.252 5.854
78 H CYS 16 H CYS 16 4.830 -4.639 6.378
79 HA CYS 16 HA CYS 16 6.993 -6.374 7.379
80 HB2 CYS 16 1HB CYS 16 5.788 -6.717 9.417
81 HB3 CYS 16 2HB CYS 16 5.857 -4.979 9.142
82 H ASP 17 H ASP 17 6.261 -8.611 7.888
83 HA ASP 17 HA ASP 17 4.739 -9.641 5.659
84 HB2 ASP 17 1HB ASP 17 5.306 -11.876 6.840
85 HB3 ASP 17 2HB ASP 17 6.618 -10.952 6.113
86 H CYS 18 H CYS 18 2.590 -9.325 5.866
87 HA CYS 18 HA CYS 18 1.237 -10.758 8.002
88 HB2 CYS 18 1HB CYS 18 1.107 -7.787 7.629
89 HB3 CYS 18 2HB CYS 18 -0.313 -8.650 8.208
90 HG CYS 18 HG CYS 18 0.421 -8.376 10.649
91 H ARG 19 H ARG 19 -0.431 -11.852 7.200
92 HA ARG 19 HA ARG 19 -1.301 -11.281 4.478
93 HB2 ARG 19 1HB ARG 19 -0.680 -13.616 5.450
94 HB3 ARG 19 2HB ARG 19 -2.298 -13.573 6.137
95 HG2 ARG 19 1HG ARG 19 -1.998 -12.990 3.242
96 HG3 ARG 19 2HG ARG 19 -1.808 -14.659 3.785
97 HD2 ARG 19 1HD ARG 19 -4.149 -13.087 4.749
98 HD3 ARG 19 2HD ARG 19 -4.163 -13.705 3.098
99 HE ARG 19 HE ARG 19 -4.394 -15.234 5.531
100 HH11 ARG 19 1HH1 ARG 19 -3.617 -15.303 2.138
101 HH12 ARG 19 2HH1 ARG 19 -3.943 -16.996 1.965
102 HH21 ARG 19 1HH2 ARG 19 -4.827 -17.463 5.315
103 HH22 ARG 19 2HH2 ARG 19 -4.632 -18.223 3.772
104 H PHE 20 H PHE 20 -3.467 -10.976 3.890
105 HA PHE 20 HA PHE 20 -5.357 -10.442 6.070
106 HB2 PHE 20 1HB PHE 20 -4.999 -8.586 3.712
107 HB3 PHE 20 2HB PHE 20 -6.036 -8.342 5.114
108 HD1 PHE 20 2HD PHE 20 -4.939 -8.046 7.376
109 HD2 PHE 20 1HD PHE 20 -2.788 -7.847 3.709
110 HE1 PHE 20 2HE PHE 20 -3.116 -6.848 8.514
111 HE2 PHE 20 1HE PHE 20 -0.961 -6.649 4.841
112 HZ PHE 20 HZ PHE 20 -1.124 -6.147 7.247
113 H SER 21 H SER 21 -7.565 -10.603 5.496
114 HA SER 21 HA SER 21 -8.036 -12.466 3.330
115 HB2 SER 21 1HB SER 21 -9.106 -12.880 5.486
116 HB3 SER 21 2HB SER 21 -9.916 -11.315 5.407
117 HG SER 21 HG SER 21 -10.258 -13.233 3.369
118 H GLU 22 H GLU 22 -8.947 -9.169 4.207
119 HA GLU 22 HA GLU 22 -9.839 -8.764 1.433
120 HB2 GLU 22 1HB GLU 22 -11.773 -8.934 3.016
121 HB3 GLU 22 2HB GLU 22 -11.149 -7.521 3.855
122 HG2 GLU 22 1HG GLU 22 -12.988 -7.049 2.250
123 HG3 GLU 22 2HG GLU 22 -11.509 -6.133 1.962
124 H GLU 23 H GLU 23 -9.284 -6.832 0.491
125 HA GLU 23 HA GLU 23 -6.970 -5.565 1.130
126 HB2 GLU 23 1HB GLU 23 -7.709 -3.684 -0.260
127 HB3 GLU 23 2HB GLU 23 -8.126 -5.226 -0.994
128 HG2 GLU 23 1HG GLU 23 -10.424 -4.956 -0.043
129 HG3 GLU 23 2HG GLU 23 -9.962 -3.323 0.434
130 H ALA 24 H ALA 24 -10.218 -4.608 2.186
131 HA ALA 24 HA ALA 24 -9.851 -2.250 3.427
132 HB1 ALA 24 3HB ALA 24 -11.228 -4.078 5.224
133 HB2 ALA 24 1HB ALA 24 -11.831 -2.657 4.371
134 HB3 ALA 24 2HB ALA 24 -11.769 -4.218 3.552
135 H SER 25 H SER 25 -9.203 -5.372 5.033
136 HA SER 25 HA SER 25 -8.149 -4.369 7.394
137 HB2 SER 25 1HB SER 25 -8.709 -6.812 6.710
138 HB3 SER 25 2HB SER 25 -7.044 -6.865 6.133
139 HG SER 25 HG SER 25 -7.907 -6.264 8.770
140 H LEU 26 H LEU 26 -6.503 -5.119 4.348
141 HA LEU 26 HA LEU 26 -3.882 -4.624 5.197
142 HB2 LEU 26 1HB LEU 26 -4.281 -5.738 3.124
143 HB3 LEU 26 2HB LEU 26 -5.183 -4.361 2.495
144 HG LEU 26 HG LEU 26 -3.001 -3.063 2.625
145 HD11 LEU 26 1HD1 LEU 26 -0.975 -4.559 2.458
146 HD12 LEU 26 2HD1 LEU 26 -1.985 -5.852 3.105
147 HD13 LEU 26 3HD1 LEU 26 -1.690 -4.401 4.062
148 HD21 LEU 26 3HD2 LEU 26 -2.932 -3.426 0.435
149 HD22 LEU 26 1HD2 LEU 26 -4.074 -4.750 0.668
150 HD23 LEU 26 2HD2 LEU 26 -2.340 -5.070 0.674
151 H LYS 27 H LYS 27 -5.993 -2.456 3.303
152 HA LYS 27 HA LYS 27 -4.495 -0.196 3.243
153 HB2 LYS 27 1HB LYS 27 -7.469 -0.446 3.700
154 HB3 LYS 27 2HB LYS 27 -6.672 1.083 3.354
155 HG2 LYS 27 1HG LYS 27 -5.771 -0.095 1.258
156 HG3 LYS 27 2HG LYS 27 -7.021 -1.300 1.576
157 HD2 LYS 27 1HD LYS 27 -8.714 0.498 1.550
158 HD3 LYS 27 2HD LYS 27 -7.446 1.658 1.145
159 HE2 LYS 27 1HE LYS 27 -6.952 0.242 -0.876
160 HE3 LYS 27 2HE LYS 27 -8.414 -0.670 -0.504
161 HZ1 LYS 27 3HZ LYS 27 -8.878 1.032 -2.127
162 HZ2 LYS 27 1HZ LYS 27 -8.270 2.235 -1.104
163 HZ3 LYS 27 2HZ LYS 27 -9.679 1.400 -0.684
164 H ARG 28 H ARG 28 -6.906 -0.799 5.808
165 HA ARG 28 HA ARG 28 -6.129 1.306 7.465
166 HB2 ARG 28 1HB ARG 28 -8.209 -0.236 7.577
167 HB3 ARG 28 2HB ARG 28 -7.192 -1.281 8.559
168 HG2 ARG 28 1HG ARG 28 -6.898 0.456 10.196
169 HG3 ARG 28 2HG ARG 28 -7.769 1.606 9.181
170 HD2 ARG 28 1HD ARG 28 -9.374 0.934 10.722
171 HD3 ARG 28 2HD ARG 28 -9.712 -0.078 9.318
172 HE ARG 28 HE ARG 28 -8.700 -0.937 11.889
173 HH11 ARG 28 1HH1 ARG 28 -9.173 -1.724 8.531
174 HH12 ARG 28 2HH1 ARG 28 -9.079 -3.435 8.784
175 HH21 ARG 28 1HH2 ARG 28 -8.574 -3.188 12.235
176 HH22 ARG 28 2HH2 ARG 28 -8.739 -4.267 10.892
177 H HIS 29 H HIS 29 -5.195 -2.127 7.614
178 HA HIS 29 HA HIS 29 -3.611 -2.208 9.807
179 HB2 HIS 29 1HB HIS 29 -3.760 -4.233 8.682
180 HB3 HIS 29 2HB HIS 29 -3.353 -3.516 7.126
181 HD1 HIS 29 1HD HIS 29 -1.873 -5.193 10.049
182 HD2 HIS 29 2HD HIS 29 -0.545 -3.018 6.767
183 HE1 HIS 29 1HE HIS 29 0.599 -5.631 9.908
184 H THR 30 H THR 30 -2.845 -0.682 6.745
185 HA THR 30 HA THR 30 -0.096 -0.204 7.306
186 HB THR 30 HB THR 30 -1.912 1.262 5.382
187 HG1 THR 30 1HG THR 30 -1.391 -0.284 3.941
188 HG21 THR 30 3HG2 THR 30 0.171 2.470 5.912
189 HG22 THR 30 1HG2 THR 30 0.140 1.905 4.243
190 HG23 THR 30 2HG2 THR 30 1.100 1.046 5.447
191 H LEU 31 H LEU 31 -2.950 1.935 7.351
192 HA LEU 31 HA LEU 31 -1.558 4.148 8.452
193 HB2 LEU 31 1HB LEU 31 -4.392 3.432 7.947
194 HB3 LEU 31 2HB LEU 31 -4.075 4.718 9.111
195 HG LEU 31 HG LEU 31 -2.971 4.768 6.313
196 HD11 LEU 31 1HD1 LEU 31 -5.584 4.657 6.629
197 HD12 LEU 31 2HD1 LEU 31 -4.844 5.775 5.484
198 HD13 LEU 31 3HD1 LEU 31 -5.371 6.353 7.064
199 HD21 LEU 31 3HD2 LEU 31 -3.569 7.299 7.514
200 HD22 LEU 31 1HD2 LEU 31 -2.021 6.667 6.954
201 HD23 LEU 31 2HD2 LEU 31 -2.561 6.345 8.602
202 H GLN 32 H GLN 32 -2.710 1.261 9.815
203 HA GLN 32 HA GLN 32 -3.327 2.188 12.429
204 HB2 GLN 32 1HB GLN 32 -4.129 0.030 11.579
205 HB3 GLN 32 2HB GLN 32 -2.475 -0.560 11.499
206 HG2 GLN 32 1HG GLN 32 -3.511 -1.448 13.456
207 HG3 GLN 32 2HG GLN 32 -2.301 -0.266 13.950
208 HE21 GLN 32 1HE2 GLN 32 -5.757 -0.600 13.277
209 HE22 GLN 32 2HE2 GLN 32 -6.279 0.530 14.475
210 H THR 33 H THR 33 -0.515 0.319 11.269
211 HA THR 33 HA THR 33 1.048 1.477 13.480
212 HB THR 33 HB THR 33 1.078 -0.867 13.737
213 HG1 THR 33 1HG THR 33 3.428 -0.205 12.261
214 HG21 THR 33 3HG2 THR 33 1.778 -2.369 11.826
215 HG22 THR 33 1HG2 THR 33 1.545 -0.983 10.762
216 HG23 THR 33 2HG2 THR 33 0.183 -1.634 11.674
217 H HIS 34 H HIS 34 1.073 0.761 10.025
218 HA HIS 34 HA HIS 34 3.641 2.067 9.664
219 HB2 HIS 34 1HB HIS 34 1.775 1.034 7.525
220 HB3 HIS 34 2HB HIS 34 3.495 1.378 7.370
221 HD1 HIS 34 1HD HIS 34 5.119 -0.285 8.703
222 HD2 HIS 34 2HD HIS 34 1.170 -1.514 8.312
223 HE1 HIS 34 1HE HIS 34 5.127 -2.746 9.217
224 H SER 35 H SER 35 2.698 4.104 10.578
225 HA SER 35 HA SER 35 1.705 5.755 8.373
226 HB2 SER 35 1HB SER 35 -0.214 5.038 9.868
227 HB3 SER 35 2HB SER 35 0.547 5.970 11.157
228 HG SER 35 HG SER 35 0.164 7.818 10.067
229 H ASP 36 H ASP 36 1.789 8.146 9.037
230 HA ASP 36 HA ASP 36 4.173 8.617 10.705
231 HB2 ASP 36 1HB ASP 36 4.942 10.294 9.170
232 HB3 ASP 36 2HB ASP 36 4.611 8.834 8.242
233 H LYS 37 H LYS 37 1.648 8.725 11.788
234 HA LYS 37 HA LYS 37 1.332 11.613 12.252
235 HB2 LYS 37 1HB LYS 37 -0.739 9.578 11.579
236 HB3 LYS 37 2HB LYS 37 -1.167 10.839 12.728
237 HG2 LYS 37 1HG LYS 37 -1.841 11.772 10.745
238 HG3 LYS 37 2HG LYS 37 -0.215 12.439 10.909
239 HD2 LYS 37 1HD LYS 37 -0.113 11.712 8.745
240 HD3 LYS 37 2HD LYS 37 0.427 10.248 9.570
241 HE2 LYS 37 1HE LYS 37 -1.917 9.428 9.526
242 HE3 LYS 37 2HE LYS 37 -2.358 10.847 8.578
243 HZ1 LYS 37 3HZ LYS 37 -1.575 8.490 7.544
244 HZ2 LYS 37 1HZ LYS 37 -0.125 9.361 7.518
245 HZ3 LYS 37 2HZ LYS 37 -1.492 9.971 6.729
246 H SER 38 H SER 38 2.941 9.907 13.777
247 HA SER 38 HA SER 38 1.970 10.427 16.376
248 HB2 SER 38 1HB SER 38 0.518 8.494 15.902
249 HB3 SER 38 2HB SER 38 1.941 7.512 15.552
250 HG SER 38 HG SER 38 2.442 7.454 17.643
251 H GLY 39 H GLY 39 3.485 9.809 18.045
252 HA2 GLY 39 1HA GLY 39 6.119 8.994 16.987
253 HA3 GLY 39 2HA GLY 39 5.955 10.372 18.066
254 HA PRO 40 HA PRO 40 6.707 7.649 21.430
255 HB2 PRO 40 1HB PRO 40 5.626 9.123 23.437
256 HB3 PRO 40 2HB PRO 40 7.160 9.534 22.663
257 HG2 PRO 40 1HG PRO 40 4.432 10.666 22.179
258 HG3 PRO 40 2HG PRO 40 5.986 11.510 22.309
259 HD2 PRO 40 1HD PRO 40 4.820 10.962 19.927
260 HD3 PRO 40 2HD PRO 40 6.582 11.009 20.140
261 H SER 41 H SER 41 3.558 8.559 20.429
262 HA SER 41 HA SER 41 2.109 7.046 22.389
263 HB2 SER 41 1HB SER 41 1.339 8.376 19.796
264 HB3 SER 41 2HB SER 41 0.193 7.398 20.713
265 HG SER 41 HG SER 41 0.099 9.637 21.249
266 H SER 42 H SER 42 2.005 4.911 22.447
267 HA SER 42 HA SER 42 2.261 3.417 19.919
268 HB2 SER 42 1HB SER 42 4.144 2.863 21.253
269 HB3 SER 42 2HB SER 42 3.168 2.736 22.716
270 HG SER 42 HG SER 42 3.649 0.678 21.921
271 H GLY 43 H GLY 43 -0.038 3.621 19.611
272 HA2 GLY 43 1HA GLY 43 -2.271 3.089 19.994
273 HA3 GLY 43 2HA GLY 43 -1.576 1.475 20.035
Start of MODEL 8
1 H1 GLY 1 H GLY 1 0.708 -28.479 5.377
2 HA2 GLY 1 1HA GLY 1 -0.371 -27.118 3.475
3 HA3 GLY 1 2HA GLY 1 -0.829 -28.705 2.875
4 H SER 2 H SER 2 -2.666 -26.666 3.498
5 HA SER 2 HA SER 2 -3.855 -27.457 6.047
6 HB2 SER 2 1HB SER 2 -4.730 -25.308 4.102
7 HB3 SER 2 2HB SER 2 -5.360 -25.560 5.730
8 HG SER 2 HG SER 2 -2.975 -24.417 4.900
9 H SER 3 H SER 3 -6.131 -27.999 6.168
10 HA SER 3 HA SER 3 -7.003 -29.516 3.802
11 HB2 SER 3 1HB SER 3 -6.570 -30.565 6.198
12 HB3 SER 3 2HB SER 3 -8.206 -29.976 6.498
13 HG SER 3 HG SER 3 -8.755 -31.782 5.566
14 H GLY 4 H GLY 4 -8.157 -27.968 2.699
15 HA2 GLY 4 1HA GLY 4 -10.282 -27.118 2.175
16 HA3 GLY 4 2HA GLY 4 -10.745 -27.295 3.861
17 H SER 5 H SER 5 -8.258 -25.498 2.038
18 HA SER 5 HA SER 5 -9.014 -23.110 3.593
19 HB2 SER 5 1HB SER 5 -6.708 -22.335 3.366
20 HB3 SER 5 2HB SER 5 -6.736 -23.936 4.105
21 HG SER 5 HG SER 5 -6.546 -24.523 1.655
22 H SER 6 H SER 6 -8.144 -21.054 2.361
23 HA SER 6 HA SER 6 -8.798 -21.295 -0.496
24 HB2 SER 6 1HB SER 6 -9.930 -19.280 1.456
25 HB3 SER 6 2HB SER 6 -10.062 -19.127 -0.296
26 HG SER 6 HG SER 6 -11.323 -20.935 -0.358
27 H GLY 7 H GLY 7 -6.599 -21.099 -1.004
28 HA2 GLY 7 1HA GLY 7 -4.704 -19.947 -1.595
29 HA3 GLY 7 2HA GLY 7 -5.667 -18.485 -1.442
30 H ASN 8 H ASN 8 -2.906 -18.771 -0.756
31 HA ASN 8 HA ASN 8 -2.712 -18.968 2.108
32 HB2 ASN 8 1HB ASN 8 -0.745 -18.113 -0.020
33 HB3 ASN 8 2HB ASN 8 -0.351 -18.164 1.696
34 HD21 ASN 8 1HD2 ASN 8 -1.225 -20.376 2.676
35 HD22 ASN 8 2HD2 ASN 8 -0.660 -21.770 1.826
36 H GLY 9 H GLY 9 -2.604 -16.349 -0.286
37 HA2 GLY 9 1HA GLY 9 -3.805 -14.473 1.453
38 HA3 GLY 9 2HA GLY 9 -2.065 -14.230 1.449
39 H ALA 10 H ALA 10 -4.483 -12.695 0.374
40 HA ALA 10 HA ALA 10 -3.723 -12.520 -2.451
41 HB1 ALA 10 3HB ALA 10 -6.092 -11.432 -0.944
42 HB2 ALA 10 1HB ALA 10 -5.761 -11.083 -2.641
43 HB3 ALA 10 2HB ALA 10 -6.076 -12.741 -2.126
44 H PHE 11 H PHE 11 -4.133 -10.478 0.424
45 HA PHE 11 HA PHE 11 -2.434 -8.454 -0.880
46 HB2 PHE 11 1HB PHE 11 -4.647 -8.065 1.144
47 HB3 PHE 11 2HB PHE 11 -3.562 -6.789 0.603
48 HD1 PHE 11 1HD PHE 11 -6.327 -8.994 -0.354
49 HD2 PHE 11 2HD PHE 11 -3.794 -5.796 -1.569
50 HE1 PHE 11 1HE PHE 11 -7.830 -8.526 -2.245
51 HE2 PHE 11 2HE PHE 11 -5.294 -5.323 -3.461
52 HZ PHE 11 HZ PHE 11 -7.315 -6.688 -3.801
53 H PHE 12 H PHE 12 -0.471 -9.142 -0.105
54 HA PHE 12 HA PHE 12 -0.155 -9.443 2.791
55 HB2 PHE 12 1HB PHE 12 1.707 -10.737 2.385
56 HB3 PHE 12 2HB PHE 12 0.782 -11.060 0.922
57 HD1 PHE 12 2HD PHE 12 1.455 -10.111 -1.211
58 HD2 PHE 12 1HD PHE 12 3.722 -9.429 2.326
59 HE1 PHE 12 2HE PHE 12 3.345 -9.330 -2.578
60 HE2 PHE 12 1HE PHE 12 5.616 -8.646 0.964
61 HZ PHE 12 HZ PHE 12 5.430 -8.597 -1.491
62 H CYS 13 H CYS 13 0.675 -7.870 3.990
63 HA CYS 13 HA CYS 13 1.223 -5.322 3.123
64 HB2 CYS 13 1HB CYS 13 0.892 -6.087 5.506
65 HB3 CYS 13 2HB CYS 13 2.573 -6.612 5.498
66 H ASN 14 H ASN 14 3.067 -4.148 2.620
67 HA ASN 14 HA ASN 14 5.246 -5.738 1.514
68 HB2 ASN 14 1HB ASN 14 4.395 -2.866 1.198
69 HB3 ASN 14 2HB ASN 14 5.957 -3.433 0.616
70 HD21 ASN 14 1HD2 ASN 14 3.853 -2.364 -0.963
71 HD22 ASN 14 2HD2 ASN 14 3.347 -3.600 -2.059
72 H GLU 15 H GLU 15 4.786 -2.995 3.728
73 HA GLU 15 HA GLU 15 7.451 -2.595 4.426
74 HB2 GLU 15 1HB GLU 15 4.945 -2.196 6.066
75 HB3 GLU 15 2HB GLU 15 6.534 -1.609 6.537
76 HG2 GLU 15 1HG GLU 15 5.022 -0.808 4.061
77 HG3 GLU 15 2HG GLU 15 5.192 0.151 5.530
78 H CYS 16 H CYS 16 5.000 -4.484 6.201
79 HA CYS 16 HA CYS 16 7.205 -5.995 7.442
80 HB2 CYS 16 1HB CYS 16 5.920 -6.263 9.397
81 HB3 CYS 16 2HB CYS 16 5.665 -4.585 8.931
82 H ASP 17 H ASP 17 6.091 -8.184 8.368
83 HA ASP 17 HA ASP 17 5.089 -9.528 5.961
84 HB2 ASP 17 1HB ASP 17 5.691 -11.615 7.403
85 HB3 ASP 17 2HB ASP 17 6.985 -10.679 6.659
86 H CYS 18 H CYS 18 2.926 -9.508 5.912
87 HA CYS 18 HA CYS 18 1.487 -10.826 8.051
88 HB2 CYS 18 1HB CYS 18 1.038 -7.935 7.334
89 HB3 CYS 18 2HB CYS 18 -0.230 -8.915 8.061
90 HG CYS 18 HG CYS 18 1.796 -9.575 10.193
91 H ARG 19 H ARG 19 -0.823 -11.183 7.459
92 HA ARG 19 HA ARG 19 -1.190 -11.252 4.538
93 HB2 ARG 19 1HB ARG 19 -2.073 -13.447 4.629
94 HB3 ARG 19 2HB ARG 19 -0.599 -13.486 5.587
95 HG2 ARG 19 1HG ARG 19 -2.084 -13.134 7.614
96 HG3 ARG 19 2HG ARG 19 -3.441 -13.494 6.545
97 HD2 ARG 19 1HD ARG 19 -2.686 -15.481 7.767
98 HD3 ARG 19 2HD ARG 19 -2.485 -15.664 6.024
99 HE ARG 19 HE ARG 19 -0.085 -14.694 7.019
100 HH11 ARG 19 1HH1 ARG 19 -2.067 -17.535 7.360
101 HH12 ARG 19 2HH1 ARG 19 -0.730 -18.587 7.690
102 HH21 ARG 19 1HH2 ARG 19 1.683 -16.068 7.452
103 HH22 ARG 19 2HH2 ARG 19 1.402 -17.752 7.743
104 H PHE 20 H PHE 20 -3.210 -10.789 3.767
105 HA PHE 20 HA PHE 20 -5.440 -10.499 5.605
106 HB2 PHE 20 1HB PHE 20 -4.394 -8.152 4.008
107 HB3 PHE 20 2HB PHE 20 -5.887 -8.168 4.941
108 HD1 PHE 20 2HD PHE 20 -5.648 -8.713 7.466
109 HD2 PHE 20 1HD PHE 20 -2.440 -7.417 4.987
110 HE1 PHE 20 2HE PHE 20 -4.409 -7.976 9.460
111 HE2 PHE 20 1HE PHE 20 -1.196 -6.679 6.977
112 HZ PHE 20 HZ PHE 20 -2.181 -6.957 9.217
113 H SER 21 H SER 21 -7.126 -11.394 4.641
114 HA SER 21 HA SER 21 -7.151 -11.706 1.750
115 HB2 SER 21 1HB SER 21 -8.877 -13.315 2.077
116 HB3 SER 21 2HB SER 21 -7.718 -13.576 3.381
117 HG SER 21 HG SER 21 -9.292 -13.224 4.709
118 H GLU 22 H GLU 22 -7.496 -9.052 2.743
119 HA GLU 22 HA GLU 22 -9.770 -8.271 1.246
120 HB2 GLU 22 1HB GLU 22 -10.679 -9.108 3.550
121 HB3 GLU 22 2HB GLU 22 -10.070 -7.569 4.144
122 HG2 GLU 22 1HG GLU 22 -11.436 -6.497 2.283
123 HG3 GLU 22 2HG GLU 22 -12.222 -8.066 2.118
124 H GLU 23 H GLU 23 -8.853 -6.602 0.249
125 HA GLU 23 HA GLU 23 -6.701 -5.121 0.852
126 HB2 GLU 23 1HB GLU 23 -7.947 -4.825 -1.220
127 HB3 GLU 23 2HB GLU 23 -9.264 -4.058 -0.345
128 HG2 GLU 23 1HG GLU 23 -7.829 -2.454 -1.533
129 HG3 GLU 23 2HG GLU 23 -7.878 -2.178 0.207
130 H ALA 24 H ALA 24 -9.986 -4.364 1.981
131 HA ALA 24 HA ALA 24 -9.516 -2.031 3.355
132 HB1 ALA 24 3HB ALA 24 -11.534 -2.363 4.419
133 HB2 ALA 24 1HB ALA 24 -11.698 -3.409 3.009
134 HB3 ALA 24 2HB ALA 24 -11.286 -4.102 4.578
135 H SER 25 H SER 25 -9.435 -5.301 4.788
136 HA SER 25 HA SER 25 -8.633 -4.739 7.319
137 HB2 SER 25 1HB SER 25 -8.965 -7.031 6.047
138 HB3 SER 25 2HB SER 25 -7.207 -6.967 5.920
139 HG SER 25 HG SER 25 -7.429 -6.471 8.329
140 H LEU 26 H LEU 26 -6.477 -5.082 4.514
141 HA LEU 26 HA LEU 26 -4.078 -4.580 5.899
142 HB2 LEU 26 1HB LEU 26 -4.121 -5.609 3.701
143 HB3 LEU 26 2HB LEU 26 -4.780 -4.132 3.001
144 HG LEU 26 HG LEU 26 -2.635 -2.990 3.675
145 HD11 LEU 26 1HD1 LEU 26 -2.109 -4.939 5.302
146 HD12 LEU 26 2HD1 LEU 26 -0.794 -4.178 4.406
147 HD13 LEU 26 3HD1 LEU 26 -1.447 -5.726 3.869
148 HD21 LEU 26 3HD2 LEU 26 -1.327 -4.068 1.814
149 HD22 LEU 26 1HD2 LEU 26 -2.955 -3.538 1.390
150 HD23 LEU 26 2HD2 LEU 26 -2.634 -5.247 1.683
151 H LYS 27 H LYS 27 -5.682 -2.389 3.585
152 HA LYS 27 HA LYS 27 -4.373 -0.091 3.935
153 HB2 LYS 27 1HB LYS 27 -7.375 -0.422 3.872
154 HB3 LYS 27 2HB LYS 27 -6.560 1.124 3.680
155 HG2 LYS 27 1HG LYS 27 -5.317 0.041 1.739
156 HG3 LYS 27 2HG LYS 27 -6.515 -1.250 1.849
157 HD2 LYS 27 1HD LYS 27 -7.466 0.153 0.278
158 HD3 LYS 27 2HD LYS 27 -8.232 0.707 1.769
159 HE2 LYS 27 1HE LYS 27 -6.506 2.481 1.933
160 HE3 LYS 27 2HE LYS 27 -5.869 1.961 0.374
161 HZ1 LYS 27 3HZ LYS 27 -8.025 3.693 0.903
162 HZ2 LYS 27 1HZ LYS 27 -8.602 2.347 0.056
163 HZ3 LYS 27 2HZ LYS 27 -7.345 3.276 -0.590
164 H ARG 28 H ARG 28 -6.471 -1.562 6.316
165 HA ARG 28 HA ARG 28 -6.510 0.702 8.072
166 HB2 ARG 28 1HB ARG 28 -8.343 -0.828 8.206
167 HB3 ARG 28 2HB ARG 28 -7.264 -2.196 8.444
168 HG2 ARG 28 1HG ARG 28 -7.987 -1.865 10.580
169 HG3 ARG 28 2HG ARG 28 -6.546 -0.847 10.578
170 HD2 ARG 28 1HD ARG 28 -9.179 0.321 9.792
171 HD3 ARG 28 2HD ARG 28 -8.817 0.067 11.499
172 HE ARG 28 HE ARG 28 -6.679 1.418 10.241
173 HH11 ARG 28 1HH1 ARG 28 -9.939 1.911 11.360
174 HH12 ARG 28 2HH1 ARG 28 -9.722 3.605 11.650
175 HH21 ARG 28 1HH2 ARG 28 -6.381 3.647 10.618
176 HH22 ARG 28 2HH2 ARG 28 -7.698 4.592 11.226
177 H HIS 29 H HIS 29 -4.785 -2.405 8.036
178 HA HIS 29 HA HIS 29 -3.319 -1.941 10.410
179 HB2 HIS 29 1HB HIS 29 -3.325 -4.177 9.861
180 HB3 HIS 29 2HB HIS 29 -3.140 -3.866 8.138
181 HD1 HIS 29 1HD HIS 29 -1.218 -4.540 11.224
182 HD2 HIS 29 2HD HIS 29 -0.453 -3.406 7.301
183 HE1 HIS 29 1HE HIS 29 1.253 -4.875 10.897
184 H THR 30 H THR 30 -2.567 -1.425 6.987
185 HA THR 30 HA THR 30 0.098 -0.566 7.377
186 HB THR 30 HB THR 30 -1.722 0.235 5.101
187 HG1 THR 30 1HG THR 30 -0.205 -2.134 5.535
188 HG21 THR 30 3HG2 THR 30 0.671 1.242 5.541
189 HG22 THR 30 1HG2 THR 30 0.171 0.785 3.913
190 HG23 THR 30 2HG2 THR 30 1.204 -0.291 4.853
191 H LEU 31 H LEU 31 -2.976 1.173 7.179
192 HA LEU 31 HA LEU 31 -1.801 3.769 7.317
193 HB2 LEU 31 1HB LEU 31 -3.940 3.603 6.327
194 HB3 LEU 31 2HB LEU 31 -4.595 2.738 7.715
195 HG LEU 31 HG LEU 31 -4.176 4.916 9.014
196 HD11 LEU 31 1HD1 LEU 31 -3.812 5.819 6.180
197 HD12 LEU 31 2HD1 LEU 31 -2.837 6.192 7.601
198 HD13 LEU 31 3HD1 LEU 31 -4.438 6.910 7.417
199 HD21 LEU 31 3HD2 LEU 31 -6.268 5.224 6.901
200 HD22 LEU 31 1HD2 LEU 31 -6.355 5.576 8.627
201 HD23 LEU 31 2HD2 LEU 31 -6.375 3.904 8.066
202 H GLN 32 H GLN 32 -3.069 1.489 9.670
203 HA GLN 32 HA GLN 32 -2.819 3.363 11.859
204 HB2 GLN 32 1HB GLN 32 -4.586 1.555 11.710
205 HB3 GLN 32 2HB GLN 32 -3.308 0.391 12.037
206 HG2 GLN 32 1HG GLN 32 -2.839 1.580 14.160
207 HG3 GLN 32 2HG GLN 32 -4.230 2.616 13.839
208 HE21 GLN 32 1HE2 GLN 32 -5.711 2.041 15.275
209 HE22 GLN 32 2HE2 GLN 32 -6.262 0.430 15.563
210 H THR 33 H THR 33 -1.438 0.117 11.317
211 HA THR 33 HA THR 33 0.576 0.302 13.228
212 HB THR 33 HB THR 33 0.726 -1.263 10.645
213 HG1 THR 33 1HG THR 33 -0.207 -2.231 13.142
214 HG21 THR 33 3HG2 THR 33 2.767 -1.750 11.449
215 HG22 THR 33 1HG2 THR 33 1.906 -2.753 12.616
216 HG23 THR 33 2HG2 THR 33 2.390 -1.114 13.050
217 H HIS 34 H HIS 34 0.816 0.871 9.716
218 HA HIS 34 HA HIS 34 3.400 2.188 10.154
219 HB2 HIS 34 1HB HIS 34 2.146 1.469 7.503
220 HB3 HIS 34 2HB HIS 34 3.827 1.889 7.818
221 HD1 HIS 34 1HD HIS 34 4.312 -0.011 10.229
222 HD2 HIS 34 2HD HIS 34 2.472 -1.113 6.671
223 HE1 HIS 34 1HE HIS 34 4.609 -2.503 10.062
224 H SER 35 H SER 35 2.357 4.070 11.084
225 HA SER 35 HA SER 35 0.938 5.752 9.137
226 HB2 SER 35 1HB SER 35 0.186 7.071 11.057
227 HB3 SER 35 2HB SER 35 -0.208 5.369 11.293
228 HG SER 35 HG SER 35 2.207 6.403 12.292
229 H ASP 36 H ASP 36 1.459 8.068 9.126
230 HA ASP 36 HA ASP 36 4.350 8.484 9.484
231 HB2 ASP 36 1HB ASP 36 4.124 10.254 7.764
232 HB3 ASP 36 2HB ASP 36 3.650 8.667 7.166
233 H LYS 37 H LYS 37 5.093 10.528 10.246
234 HA LYS 37 HA LYS 37 3.189 11.792 12.085
235 HB2 LYS 37 1HB LYS 37 6.206 11.715 12.025
236 HB3 LYS 37 2HB LYS 37 5.298 12.752 13.118
237 HG2 LYS 37 1HG LYS 37 5.925 10.790 14.309
238 HG3 LYS 37 2HG LYS 37 4.185 10.714 14.019
239 HD2 LYS 37 1HD LYS 37 4.511 9.172 12.194
240 HD3 LYS 37 2HD LYS 37 6.264 9.337 12.318
241 HE2 LYS 37 1HE LYS 37 6.111 8.419 14.632
242 HE3 LYS 37 2HE LYS 37 4.397 8.120 14.350
243 HZ1 LYS 37 3HZ LYS 37 6.290 7.050 12.400
244 HZ2 LYS 37 1HZ LYS 37 4.829 6.403 12.957
245 HZ3 LYS 37 2HZ LYS 37 6.222 6.290 13.910
246 H SER 38 H SER 38 2.222 13.009 10.323
247 HA SER 38 HA SER 38 3.216 15.642 10.161
248 HB2 SER 38 1HB SER 38 4.686 14.230 8.495
249 HB3 SER 38 2HB SER 38 3.272 14.369 7.450
250 HG SER 38 HG SER 38 4.642 16.546 8.653
251 H GLY 39 H GLY 39 1.745 17.078 9.178
252 HA2 GLY 39 1HA GLY 39 -0.229 17.166 7.599
253 HA3 GLY 39 2HA GLY 39 -0.862 15.836 8.558
254 HA PRO 40 HA PRO 40 -1.746 20.213 10.379
255 HB2 PRO 40 1HB PRO 40 -4.039 20.882 9.090
256 HB3 PRO 40 2HB PRO 40 -2.438 21.360 8.513
257 HG2 PRO 40 1HG PRO 40 -4.180 19.099 7.609
258 HG3 PRO 40 2HG PRO 40 -3.226 20.234 6.637
259 HD2 PRO 40 1HD PRO 40 -2.382 17.721 7.188
260 HD3 PRO 40 2HD PRO 40 -1.261 19.084 6.994
261 H SER 41 H SER 41 -3.845 20.817 11.528
262 HA SER 41 HA SER 41 -5.149 20.105 13.299
263 HB2 SER 41 1HB SER 41 -7.279 19.418 12.533
264 HB3 SER 41 2HB SER 41 -6.601 20.347 11.197
265 HG SER 41 HG SER 41 -5.860 18.192 10.419
266 H SER 42 H SER 42 -2.938 18.538 13.353
267 HA SER 42 HA SER 42 -3.993 15.822 13.795
268 HB2 SER 42 1HB SER 42 -1.796 14.949 13.360
269 HB3 SER 42 2HB SER 42 -2.196 16.054 12.045
270 HG SER 42 HG SER 42 -0.374 16.378 14.158
271 H GLY 43 H GLY 43 -1.775 18.290 15.052
272 HA2 GLY 43 1HA GLY 43 -2.518 17.850 17.740
273 HA3 GLY 43 2HA GLY 43 -1.021 16.992 17.409
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -1.791 -32.505 -3.270
2 HA2 GLY 1 1HA GLY 1 -2.377 -33.156 -0.748
3 HA3 GLY 1 2HA GLY 1 -0.755 -33.391 -1.383
4 H SER 2 H SER 2 -1.657 -32.771 1.349
5 HA SER 2 HA SER 2 -1.288 -30.150 2.123
6 HB2 SER 2 1HB SER 2 -0.496 -31.098 4.309
7 HB3 SER 2 2HB SER 2 -2.002 -31.805 3.724
8 HG SER 2 HG SER 2 -0.502 -33.457 2.763
9 H SER 3 H SER 3 0.332 -28.783 1.844
10 HA SER 3 HA SER 3 3.087 -29.802 1.931
11 HB2 SER 3 1HB SER 3 2.208 -29.366 -0.446
12 HB3 SER 3 2HB SER 3 2.255 -27.657 -0.016
13 HG SER 3 HG SER 3 4.251 -27.862 -0.692
14 H GLY 4 H GLY 4 4.692 -27.974 2.185
15 HA2 GLY 4 1HA GLY 4 3.812 -26.319 4.381
16 HA3 GLY 4 2HA GLY 4 5.450 -26.441 3.754
17 H SER 5 H SER 5 2.248 -25.163 2.868
18 HA SER 5 HA SER 5 3.576 -22.727 1.918
19 HB2 SER 5 1HB SER 5 2.294 -22.667 -0.117
20 HB3 SER 5 2HB SER 5 3.080 -24.244 -0.028
21 HG SER 5 HG SER 5 0.517 -23.756 -0.312
22 H SER 6 H SER 6 2.148 -20.873 1.780
23 HA SER 6 HA SER 6 0.502 -20.599 4.036
24 HB2 SER 6 1HB SER 6 1.694 -18.750 2.764
25 HB3 SER 6 2HB SER 6 0.385 -18.835 1.585
26 HG SER 6 HG SER 6 -0.912 -17.874 2.949
27 H GLY 7 H GLY 7 -1.807 -19.926 4.007
28 HA2 GLY 7 1HA GLY 7 -3.304 -21.697 2.193
29 HA3 GLY 7 2HA GLY 7 -3.858 -21.153 3.769
30 H ASN 8 H ASN 8 -3.710 -18.524 3.774
31 HA ASN 8 HA ASN 8 -4.989 -17.559 1.315
32 HB2 ASN 8 1HB ASN 8 -6.091 -17.371 4.117
33 HB3 ASN 8 2HB ASN 8 -6.607 -16.283 2.832
34 HD21 ASN 8 1HD2 ASN 8 -7.205 -19.162 4.365
35 HD22 ASN 8 2HD2 ASN 8 -8.227 -19.896 3.180
36 H GLY 9 H GLY 9 -5.156 -15.147 1.275
37 HA2 GLY 9 1HA GLY 9 -4.180 -13.205 2.738
38 HA3 GLY 9 2HA GLY 9 -2.673 -14.025 2.356
39 H ALA 10 H ALA 10 -5.546 -13.358 0.369
40 HA ALA 10 HA ALA 10 -4.375 -12.910 -2.025
41 HB1 ALA 10 3HB ALA 10 -6.345 -10.874 -1.736
42 HB2 ALA 10 1HB ALA 10 -6.466 -12.421 -2.574
43 HB3 ALA 10 2HB ALA 10 -6.881 -12.309 -0.863
44 H PHE 11 H PHE 11 -4.761 -10.477 0.536
45 HA PHE 11 HA PHE 11 -2.828 -8.779 -0.899
46 HB2 PHE 11 1HB PHE 11 -5.054 -8.031 1.002
47 HB3 PHE 11 2HB PHE 11 -3.816 -6.900 0.467
48 HD1 PHE 11 1HD PHE 11 -6.621 -9.015 -0.660
49 HD2 PHE 11 2HD PHE 11 -3.937 -5.863 -1.648
50 HE1 PHE 11 1HE PHE 11 -7.961 -8.506 -2.660
51 HE2 PHE 11 2HE PHE 11 -5.273 -5.348 -3.649
52 HZ PHE 11 HZ PHE 11 -7.289 -6.669 -4.156
53 H PHE 12 H PHE 12 -0.881 -8.661 -0.020
54 HA PHE 12 HA PHE 12 -0.605 -9.189 2.865
55 HB2 PHE 12 1HB PHE 12 1.768 -9.832 2.279
56 HB3 PHE 12 2HB PHE 12 0.523 -10.910 1.656
57 HD1 PHE 12 2HD PHE 12 -0.152 -10.716 -0.755
58 HD2 PHE 12 1HD PHE 12 3.267 -8.747 0.842
59 HE1 PHE 12 2HE PHE 12 0.747 -10.440 -3.029
60 HE2 PHE 12 1HE PHE 12 4.171 -8.467 -1.430
61 HZ PHE 12 HZ PHE 12 2.911 -9.316 -3.368
62 H CYS 13 H CYS 13 0.915 -7.956 4.056
63 HA CYS 13 HA CYS 13 1.008 -5.207 3.291
64 HB2 CYS 13 1HB CYS 13 0.797 -6.094 5.656
65 HB3 CYS 13 2HB CYS 13 2.508 -6.498 5.571
66 H ASN 14 H ASN 14 2.767 -3.942 2.740
67 HA ASN 14 HA ASN 14 4.951 -5.372 1.470
68 HB2 ASN 14 1HB ASN 14 4.398 -2.398 1.535
69 HB3 ASN 14 2HB ASN 14 5.527 -3.232 0.471
70 HD21 ASN 14 1HD2 ASN 14 3.268 -1.546 -0.206
71 HD22 ASN 14 2HD2 ASN 14 2.214 -2.512 -1.176
72 H GLU 15 H GLU 15 4.594 -2.747 3.853
73 HA GLU 15 HA GLU 15 7.274 -2.424 4.497
74 HB2 GLU 15 1HB GLU 15 4.852 -2.132 6.282
75 HB3 GLU 15 2HB GLU 15 6.458 -1.535 6.672
76 HG2 GLU 15 1HG GLU 15 5.107 -0.687 4.147
77 HG3 GLU 15 2HG GLU 15 4.701 0.078 5.682
78 H CYS 16 H CYS 16 4.870 -4.432 6.204
79 HA CYS 16 HA CYS 16 7.107 -6.047 7.242
80 HB2 CYS 16 1HB CYS 16 5.918 -6.418 9.258
81 HB3 CYS 16 2HB CYS 16 5.768 -4.694 8.933
82 H ASP 17 H ASP 17 6.226 -8.299 7.972
83 HA ASP 17 HA ASP 17 4.886 -9.433 5.635
84 HB2 ASP 17 1HB ASP 17 6.305 -10.852 7.899
85 HB3 ASP 17 2HB ASP 17 5.746 -11.579 6.395
86 H CYS 18 H CYS 18 2.724 -9.250 5.889
87 HA CYS 18 HA CYS 18 1.490 -10.847 7.961
88 HB2 CYS 18 1HB CYS 18 1.839 -8.385 8.781
89 HB3 CYS 18 2HB CYS 18 0.482 -8.033 7.717
90 HG CYS 18 HG CYS 18 -0.791 -10.411 9.219
91 H ARG 19 H ARG 19 -0.070 -11.982 7.030
92 HA ARG 19 HA ARG 19 -1.075 -11.185 4.427
93 HB2 ARG 19 1HB ARG 19 -1.914 -13.382 4.222
94 HB3 ARG 19 2HB ARG 19 -0.368 -13.551 5.043
95 HG2 ARG 19 1HG ARG 19 -1.673 -14.948 6.292
96 HG3 ARG 19 2HG ARG 19 -1.847 -13.444 7.200
97 HD2 ARG 19 1HD ARG 19 -4.003 -13.092 6.461
98 HD3 ARG 19 2HD ARG 19 -3.774 -14.063 5.008
99 HE ARG 19 HE ARG 19 -3.597 -15.657 7.353
100 HH11 ARG 19 1HH1 ARG 19 -5.864 -14.056 5.251
101 HH12 ARG 19 2HH1 ARG 19 -7.165 -15.141 5.612
102 HH21 ARG 19 1HH2 ARG 19 -5.303 -17.092 7.837
103 HH22 ARG 19 2HH2 ARG 19 -6.845 -16.867 7.084
104 H PHE 20 H PHE 20 -3.273 -10.917 3.917
105 HA PHE 20 HA PHE 20 -5.105 -10.578 6.186
106 HB2 PHE 20 1HB PHE 20 -4.682 -8.570 3.962
107 HB3 PHE 20 2HB PHE 20 -5.949 -8.476 5.182
108 HD1 PHE 20 1HD PHE 20 -2.262 -8.558 4.766
109 HD2 PHE 20 2HD PHE 20 -5.552 -7.421 7.215
110 HE1 PHE 20 1HE PHE 20 -0.728 -7.339 6.255
111 HE2 PHE 20 2HE PHE 20 -4.024 -6.200 8.707
112 HZ PHE 20 HZ PHE 20 -1.609 -6.157 8.228
113 H SER 21 H SER 21 -7.395 -10.430 5.498
114 HA SER 21 HA SER 21 -7.927 -12.438 3.491
115 HB2 SER 21 1HB SER 21 -10.269 -12.245 4.248
116 HB3 SER 21 2HB SER 21 -9.167 -12.476 5.605
117 HG SER 21 HG SER 21 -9.255 -10.188 5.922
118 H GLU 22 H GLU 22 -8.861 -9.044 4.025
119 HA GLU 22 HA GLU 22 -9.443 -8.853 1.142
120 HB2 GLU 22 1HB GLU 22 -10.729 -7.368 3.439
121 HB3 GLU 22 2HB GLU 22 -11.018 -7.015 1.741
122 HG2 GLU 22 1HG GLU 22 -11.716 -9.481 1.563
123 HG3 GLU 22 2HG GLU 22 -11.818 -9.424 3.322
124 H GLU 23 H GLU 23 -9.157 -6.643 0.238
125 HA GLU 23 HA GLU 23 -6.550 -5.699 0.744
126 HB2 GLU 23 1HB GLU 23 -7.675 -5.503 -1.444
127 HB3 GLU 23 2HB GLU 23 -8.794 -4.335 -0.755
128 HG2 GLU 23 1HG GLU 23 -5.878 -3.794 -0.564
129 HG3 GLU 23 2HG GLU 23 -6.685 -3.573 -2.116
130 H ALA 24 H ALA 24 -9.739 -4.406 1.591
131 HA ALA 24 HA ALA 24 -9.000 -1.978 2.686
132 HB1 ALA 24 3HB ALA 24 -11.341 -3.265 2.410
133 HB2 ALA 24 1HB ALA 24 -11.097 -3.450 4.147
134 HB3 ALA 24 2HB ALA 24 -11.128 -1.840 3.427
135 H SER 25 H SER 25 -9.221 -5.132 4.317
136 HA SER 25 HA SER 25 -8.590 -4.381 6.889
137 HB2 SER 25 1HB SER 25 -9.156 -6.722 5.907
138 HB3 SER 25 2HB SER 25 -7.411 -6.883 5.710
139 HG SER 25 HG SER 25 -7.828 -7.671 7.706
140 H LEU 26 H LEU 26 -6.294 -5.372 4.351
141 HA LEU 26 HA LEU 26 -3.940 -5.033 5.766
142 HB2 LEU 26 1HB LEU 26 -3.784 -6.073 3.678
143 HB3 LEU 26 2HB LEU 26 -4.614 -4.752 2.859
144 HG LEU 26 HG LEU 26 -2.452 -3.417 3.631
145 HD11 LEU 26 1HD1 LEU 26 -0.952 -5.811 2.950
146 HD12 LEU 26 2HD1 LEU 26 -1.787 -5.944 4.497
147 HD13 LEU 26 3HD1 LEU 26 -0.665 -4.614 4.213
148 HD21 LEU 26 3HD2 LEU 26 -3.238 -3.648 1.339
149 HD22 LEU 26 1HD2 LEU 26 -2.564 -5.276 1.258
150 HD23 LEU 26 2HD2 LEU 26 -1.492 -3.886 1.427
151 H LYS 27 H LYS 27 -5.423 -2.659 3.550
152 HA LYS 27 HA LYS 27 -3.768 -0.533 3.873
153 HB2 LYS 27 1HB LYS 27 -6.715 -0.752 3.466
154 HB3 LYS 27 2HB LYS 27 -6.044 0.835 3.813
155 HG2 LYS 27 1HG LYS 27 -4.461 0.478 1.900
156 HG3 LYS 27 2HG LYS 27 -5.391 -0.968 1.498
157 HD2 LYS 27 1HD LYS 27 -7.335 0.293 1.036
158 HD3 LYS 27 2HD LYS 27 -6.665 1.742 1.789
159 HE2 LYS 27 1HE LYS 27 -5.238 2.159 0.003
160 HE3 LYS 27 2HE LYS 27 -5.315 0.495 -0.574
161 HZ1 LYS 27 3HZ LYS 27 -6.599 1.734 -2.065
162 HZ2 LYS 27 1HZ LYS 27 -7.360 2.616 -0.837
163 HZ3 LYS 27 2HZ LYS 27 -7.735 0.982 -1.061
164 H ARG 28 H ARG 28 -6.671 -1.027 5.894
165 HA ARG 28 HA ARG 28 -6.311 0.982 7.712
166 HB2 ARG 28 1HB ARG 28 -8.257 -0.569 7.630
167 HB3 ARG 28 2HB ARG 28 -7.263 -1.807 8.386
168 HG2 ARG 28 1HG ARG 28 -6.940 -0.207 10.307
169 HG3 ARG 28 2HG ARG 28 -8.195 0.791 9.570
170 HD2 ARG 28 1HD ARG 28 -9.352 -0.516 11.120
171 HD3 ARG 28 2HD ARG 28 -9.623 -1.337 9.583
172 HE ARG 28 HE ARG 28 -7.353 -2.358 10.995
173 HH11 ARG 28 1HH1 ARG 28 -10.822 -2.501 10.737
174 HH12 ARG 28 2HH1 ARG 28 -10.935 -4.102 11.389
175 HH21 ARG 28 1HH2 ARG 28 -7.489 -4.466 11.854
176 HH22 ARG 28 2HH2 ARG 28 -9.039 -5.219 12.025
177 H HIS 29 H HIS 29 -4.943 -2.296 7.902
178 HA HIS 29 HA HIS 29 -3.628 -2.072 10.332
179 HB2 HIS 29 1HB HIS 29 -3.575 -4.226 9.521
180 HB3 HIS 29 2HB HIS 29 -3.210 -3.713 7.876
181 HD1 HIS 29 1HD HIS 29 -1.620 -4.762 11.049
182 HD2 HIS 29 2HD HIS 29 -0.452 -3.204 7.379
183 HE1 HIS 29 1HE HIS 29 0.871 -5.091 10.941
184 H THR 30 H THR 30 -2.462 -1.229 7.087
185 HA THR 30 HA THR 30 0.115 -0.399 7.922
186 HB THR 30 HB THR 30 -1.432 0.392 5.445
187 HG1 THR 30 1HG THR 30 -0.208 -1.292 4.491
188 HG21 THR 30 3HG2 THR 30 1.553 0.454 5.828
189 HG22 THR 30 1HG2 THR 30 0.533 1.861 6.126
190 HG23 THR 30 2HG2 THR 30 0.605 1.149 4.514
191 H LEU 31 H LEU 31 -2.933 1.317 7.416
192 HA LEU 31 HA LEU 31 -2.045 3.935 7.631
193 HB2 LEU 31 1HB LEU 31 -4.269 3.638 6.994
194 HB3 LEU 31 2HB LEU 31 -4.616 2.587 8.365
195 HG LEU 31 HG LEU 31 -4.394 4.603 9.845
196 HD11 LEU 31 1HD1 LEU 31 -3.621 6.507 9.021
197 HD12 LEU 31 2HD1 LEU 31 -4.979 6.580 7.898
198 HD13 LEU 31 3HD1 LEU 31 -3.485 5.770 7.424
199 HD21 LEU 31 3HD2 LEU 31 -6.578 3.832 9.361
200 HD22 LEU 31 1HD2 LEU 31 -6.520 4.475 7.720
201 HD23 LEU 31 2HD2 LEU 31 -6.602 5.576 9.095
202 H GLN 32 H GLN 32 -3.022 1.696 10.207
203 HA GLN 32 HA GLN 32 -2.281 3.618 12.252
204 HB2 GLN 32 1HB GLN 32 -3.641 0.967 12.211
205 HB3 GLN 32 2HB GLN 32 -2.843 1.461 13.698
206 HG2 GLN 32 1HG GLN 32 -4.719 3.342 12.350
207 HG3 GLN 32 2HG GLN 32 -5.359 2.001 13.297
208 HE21 GLN 32 1HE2 GLN 32 -3.964 5.101 13.368
209 HE22 GLN 32 2HE2 GLN 32 -3.877 5.282 15.083
210 H THR 33 H THR 33 -1.368 0.255 11.484
211 HA THR 33 HA THR 33 0.787 0.029 13.204
212 HB THR 33 HB THR 33 0.630 -1.216 10.454
213 HG1 THR 33 1HG THR 33 -0.958 -2.369 11.227
214 HG21 THR 33 3HG2 THR 33 2.306 -2.602 11.068
215 HG22 THR 33 1HG2 THR 33 1.764 -2.684 12.743
216 HG23 THR 33 2HG2 THR 33 2.708 -1.301 12.188
217 H HIS 34 H HIS 34 0.856 1.001 9.775
218 HA HIS 34 HA HIS 34 3.519 2.167 10.251
219 HB2 HIS 34 1HB HIS 34 2.381 1.482 7.546
220 HB3 HIS 34 2HB HIS 34 4.061 1.788 7.975
221 HD1 HIS 34 1HD HIS 34 4.970 -0.113 9.844
222 HD2 HIS 34 2HD HIS 34 1.878 -1.151 7.270
223 HE1 HIS 34 1HE HIS 34 4.934 -2.628 9.816
224 H SER 35 H SER 35 2.613 4.115 11.073
225 HA SER 35 HA SER 35 0.781 5.685 9.557
226 HB2 SER 35 1HB SER 35 1.023 5.891 12.015
227 HB3 SER 35 2HB SER 35 2.640 6.556 11.784
228 HG SER 35 HG SER 35 1.795 8.411 11.253
229 H ASP 36 H ASP 36 1.136 7.428 8.234
230 HA ASP 36 HA ASP 36 3.913 7.792 7.325
231 HB2 ASP 36 1HB ASP 36 1.282 7.991 5.873
232 HB3 ASP 36 2HB ASP 36 2.749 8.722 5.227
233 H LYS 37 H LYS 37 4.724 9.519 8.345
234 HA LYS 37 HA LYS 37 3.048 11.856 8.826
235 HB2 LYS 37 1HB LYS 37 5.717 10.926 9.806
236 HB3 LYS 37 2HB LYS 37 5.328 12.640 9.888
237 HG2 LYS 37 1HG LYS 37 4.708 11.836 11.972
238 HG3 LYS 37 2HG LYS 37 3.184 11.889 11.083
239 HD2 LYS 37 1HD LYS 37 3.117 9.802 12.101
240 HD3 LYS 37 2HD LYS 37 3.722 9.430 10.485
241 HE2 LYS 37 1HE LYS 37 6.028 9.485 11.384
242 HE3 LYS 37 2HE LYS 37 5.363 9.744 12.997
243 HZ1 LYS 37 3HZ LYS 37 5.837 7.438 12.734
244 HZ2 LYS 37 1HZ LYS 37 4.986 7.358 11.273
245 HZ3 LYS 37 2HZ LYS 37 4.155 7.614 12.724
246 H SER 38 H SER 38 6.138 11.071 7.245
247 HA SER 38 HA SER 38 6.836 13.526 6.251
248 HB2 SER 38 1HB SER 38 8.005 12.333 4.445
249 HB3 SER 38 2HB SER 38 8.225 11.513 5.990
250 HG SER 38 HG SER 38 7.653 9.892 4.695
251 H GLY 39 H GLY 39 5.840 14.960 5.009
252 HA2 GLY 39 1HA GLY 39 4.690 14.478 2.531
253 HA3 GLY 39 2HA GLY 39 3.381 14.398 3.700
254 HA PRO 40 HA PRO 40 3.717 18.799 2.390
255 HB2 PRO 40 1HB PRO 40 1.035 19.213 2.338
256 HB3 PRO 40 2HB PRO 40 1.929 18.537 0.972
257 HG2 PRO 40 1HG PRO 40 0.311 17.128 3.059
258 HG3 PRO 40 2HG PRO 40 0.368 16.847 1.309
259 HD2 PRO 40 1HD PRO 40 1.706 15.295 3.078
260 HD3 PRO 40 2HD PRO 40 2.314 15.620 1.443
261 H SER 41 H SER 41 4.539 19.550 4.332
262 HA SER 41 HA SER 41 2.683 19.780 6.594
263 HB2 SER 41 1HB SER 41 4.650 20.211 7.969
264 HB3 SER 41 2HB SER 41 4.892 18.737 7.032
265 HG SER 41 HG SER 41 6.735 19.874 6.762
266 H SER 42 H SER 42 4.840 21.682 4.539
267 HA SER 42 HA SER 42 4.463 24.170 5.769
268 HB2 SER 42 1HB SER 42 5.120 23.457 2.905
269 HB3 SER 42 2HB SER 42 5.140 25.108 3.525
270 HG SER 42 HG SER 42 7.193 23.858 3.539
271 H GLY 43 H GLY 43 2.709 25.388 5.954
272 HA2 GLY 43 1HA GLY 43 1.034 26.369 4.107
273 HA3 GLY 43 2HA GLY 43 0.349 24.774 4.377
Start of MODEL 10
1 H1 GLY 1 H GLY 1 11.858 -22.308 -8.486
2 HA2 GLY 1 1HA GLY 1 12.255 -24.931 -7.204
3 HA3 GLY 1 2HA GLY 1 11.706 -23.477 -6.384
4 H SER 2 H SER 2 9.563 -23.055 -6.250
5 HA SER 2 HA SER 2 7.762 -25.175 -7.001
6 HB2 SER 2 1HB SER 2 7.374 -22.559 -5.543
7 HB3 SER 2 2HB SER 2 6.041 -23.655 -5.907
8 HG SER 2 HG SER 2 7.192 -25.272 -4.728
9 H SER 3 H SER 3 5.559 -24.488 -7.931
10 HA SER 3 HA SER 3 5.601 -22.311 -9.815
11 HB2 SER 3 1HB SER 3 6.880 -24.288 -10.882
12 HB3 SER 3 2HB SER 3 5.299 -25.058 -11.011
13 HG SER 3 HG SER 3 4.802 -23.754 -12.587
14 H GLY 4 H GLY 4 3.569 -21.706 -10.448
15 HA2 GLY 4 1HA GLY 4 1.287 -21.515 -10.228
16 HA3 GLY 4 2HA GLY 4 1.283 -23.222 -10.644
17 H SER 5 H SER 5 2.001 -21.166 -7.819
18 HA SER 5 HA SER 5 1.139 -23.241 -6.008
19 HB2 SER 5 1HB SER 5 2.069 -20.398 -5.572
20 HB3 SER 5 2HB SER 5 1.587 -21.470 -4.258
21 HG SER 5 HG SER 5 3.853 -21.505 -4.644
22 H SER 6 H SER 6 -0.451 -22.719 -4.261
23 HA SER 6 HA SER 6 -2.942 -22.004 -5.432
24 HB2 SER 6 1HB SER 6 -2.381 -23.627 -3.434
25 HB3 SER 6 2HB SER 6 -2.588 -22.170 -2.463
26 HG SER 6 HG SER 6 -4.662 -22.306 -2.751
27 H GLY 7 H GLY 7 -1.085 -20.525 -2.764
28 HA2 GLY 7 1HA GLY 7 -0.775 -18.035 -3.084
29 HA3 GLY 7 2HA GLY 7 -2.516 -18.002 -3.319
30 H ASN 8 H ASN 8 0.037 -17.962 -1.053
31 HA ASN 8 HA ASN 8 -1.784 -18.373 1.203
32 HB2 ASN 8 1HB ASN 8 0.477 -19.522 1.090
33 HB3 ASN 8 2HB ASN 8 1.201 -17.934 1.330
34 HD21 ASN 8 1HD2 ASN 8 1.025 -20.476 2.961
35 HD22 ASN 8 2HD2 ASN 8 0.510 -19.937 4.520
36 H GLY 9 H GLY 9 -2.919 -16.368 0.862
37 HA2 GLY 9 1HA GLY 9 -3.252 -14.310 2.003
38 HA3 GLY 9 2HA GLY 9 -1.508 -14.122 2.116
39 H ALA 10 H ALA 10 -4.288 -13.872 -0.014
40 HA ALA 10 HA ALA 10 -3.068 -13.035 -2.355
41 HB1 ALA 10 3HB ALA 10 -5.379 -11.524 -2.238
42 HB2 ALA 10 1HB ALA 10 -5.229 -13.160 -2.882
43 HB3 ALA 10 2HB ALA 10 -5.730 -12.912 -1.209
44 H PHE 11 H PHE 11 -3.827 -11.204 0.554
45 HA PHE 11 HA PHE 11 -2.427 -8.888 -0.613
46 HB2 PHE 11 1HB PHE 11 -4.473 -8.777 1.606
47 HB3 PHE 11 2HB PHE 11 -3.785 -7.424 0.714
48 HD1 PHE 11 2HD PHE 11 -4.126 -7.671 -1.944
49 HD2 PHE 11 1HD PHE 11 -6.606 -9.387 1.060
50 HE1 PHE 11 2HE PHE 11 -5.988 -7.780 -3.548
51 HE2 PHE 11 1HE PHE 11 -8.472 -9.500 -0.540
52 HZ PHE 11 HZ PHE 11 -8.165 -8.695 -2.848
53 H PHE 12 H PHE 12 -0.542 -8.416 0.285
54 HA PHE 12 HA PHE 12 -0.120 -9.027 3.126
55 HB2 PHE 12 1HB PHE 12 2.063 -9.953 2.702
56 HB3 PHE 12 2HB PHE 12 0.897 -10.815 1.703
57 HD1 PHE 12 2HD PHE 12 0.585 -9.811 -0.719
58 HD2 PHE 12 1HD PHE 12 4.016 -9.241 1.735
59 HE1 PHE 12 2HE PHE 12 1.927 -9.308 -2.718
60 HE2 PHE 12 1HE PHE 12 5.364 -8.736 -0.261
61 HZ PHE 12 HZ PHE 12 4.320 -8.771 -2.491
62 H CYS 13 H CYS 13 0.692 -7.368 4.228
63 HA CYS 13 HA CYS 13 1.035 -4.834 3.190
64 HB2 CYS 13 1HB CYS 13 0.729 -5.213 5.569
65 HB3 CYS 13 2HB CYS 13 2.281 -6.039 5.668
66 H ASN 14 H ASN 14 2.636 -3.745 2.212
67 HA ASN 14 HA ASN 14 4.827 -5.130 1.094
68 HB2 ASN 14 1HB ASN 14 4.321 -2.156 1.344
69 HB3 ASN 14 2HB ASN 14 5.577 -2.879 0.344
70 HD21 ASN 14 1HD2 ASN 14 2.510 -1.683 0.353
71 HD22 ASN 14 2HD2 ASN 14 1.912 -2.420 -1.091
72 H GLU 15 H GLU 15 4.653 -2.712 3.699
73 HA GLU 15 HA GLU 15 7.389 -2.635 4.287
74 HB2 GLU 15 1HB GLU 15 4.916 -2.018 5.873
75 HB3 GLU 15 2HB GLU 15 6.500 -1.949 6.633
76 HG2 GLU 15 1HG GLU 15 6.061 -0.485 4.081
77 HG3 GLU 15 2HG GLU 15 5.415 0.183 5.579
78 H CYS 16 H CYS 16 4.991 -4.084 6.474
79 HA CYS 16 HA CYS 16 7.003 -6.034 7.304
80 HB2 CYS 16 1HB CYS 16 5.694 -6.379 9.259
81 HB3 CYS 16 2HB CYS 16 5.702 -4.641 8.976
82 H ASP 17 H ASP 17 6.201 -8.276 7.783
83 HA ASP 17 HA ASP 17 4.702 -9.237 5.469
84 HB2 ASP 17 1HB ASP 17 6.593 -10.500 7.422
85 HB3 ASP 17 2HB ASP 17 5.490 -11.514 6.495
86 H CYS 18 H CYS 18 2.563 -9.229 5.782
87 HA CYS 18 HA CYS 18 1.512 -10.730 8.058
88 HB2 CYS 18 1HB CYS 18 0.967 -7.856 7.452
89 HB3 CYS 18 2HB CYS 18 -0.345 -8.844 8.083
90 HG CYS 18 HG CYS 18 0.315 -8.522 10.533
91 H ARG 19 H ARG 19 -0.691 -11.454 7.756
92 HA ARG 19 HA ARG 19 -1.368 -11.705 4.903
93 HB2 ARG 19 1HB ARG 19 -0.811 -13.804 6.147
94 HB3 ARG 19 2HB ARG 19 -2.207 -13.512 7.175
95 HG2 ARG 19 1HG ARG 19 -3.668 -13.642 5.208
96 HG3 ARG 19 2HG ARG 19 -2.258 -13.978 4.201
97 HD2 ARG 19 1HD ARG 19 -1.840 -15.926 5.845
98 HD3 ARG 19 2HD ARG 19 -3.523 -15.685 6.313
99 HE ARG 19 HE ARG 19 -3.598 -15.862 3.593
100 HH11 ARG 19 1HH1 ARG 19 -2.367 -17.878 6.151
101 HH12 ARG 19 2HH1 ARG 19 -2.626 -19.357 5.287
102 HH21 ARG 19 1HH2 ARG 19 -3.944 -17.802 2.445
103 HH22 ARG 19 2HH2 ARG 19 -3.522 -19.313 3.179
104 H PHE 20 H PHE 20 -3.489 -11.425 4.213
105 HA PHE 20 HA PHE 20 -5.477 -10.545 6.159
106 HB2 PHE 20 1HB PHE 20 -4.523 -8.863 3.837
107 HB3 PHE 20 2HB PHE 20 -6.018 -8.554 4.715
108 HD1 PHE 20 2HD PHE 20 -5.799 -8.238 7.275
109 HD2 PHE 20 1HD PHE 20 -2.551 -7.895 4.545
110 HE1 PHE 20 2HE PHE 20 -4.552 -6.912 8.930
111 HE2 PHE 20 1HE PHE 20 -1.299 -6.570 6.197
112 HZ PHE 20 HZ PHE 20 -2.299 -6.075 8.392
113 H SER 21 H SER 21 -7.640 -10.584 5.364
114 HA SER 21 HA SER 21 -7.975 -12.486 3.167
115 HB2 SER 21 1HB SER 21 -9.044 -12.798 5.478
116 HB3 SER 21 2HB SER 21 -10.148 -11.504 5.014
117 HG SER 21 HG SER 21 -9.765 -13.682 3.286
118 H GLU 22 H GLU 22 -8.791 -9.215 4.116
119 HA GLU 22 HA GLU 22 -9.902 -8.778 1.424
120 HB2 GLU 22 1HB GLU 22 -11.629 -8.744 3.263
121 HB3 GLU 22 2HB GLU 22 -10.807 -7.333 3.915
122 HG2 GLU 22 1HG GLU 22 -11.186 -6.199 1.725
123 HG3 GLU 22 2HG GLU 22 -12.178 -7.576 1.251
124 H GLU 23 H GLU 23 -9.053 -7.131 0.294
125 HA GLU 23 HA GLU 23 -6.649 -5.976 0.851
126 HB2 GLU 23 1HB GLU 23 -7.976 -5.903 -1.323
127 HB3 GLU 23 2HB GLU 23 -8.806 -4.504 -0.656
128 HG2 GLU 23 1HG GLU 23 -6.929 -3.172 -0.756
129 HG3 GLU 23 2HG GLU 23 -5.826 -4.547 -0.759
130 H ALA 24 H ALA 24 -9.836 -4.526 1.485
131 HA ALA 24 HA ALA 24 -9.182 -2.093 2.485
132 HB1 ALA 24 3HB ALA 24 -11.180 -2.171 3.830
133 HB2 ALA 24 1HB ALA 24 -11.480 -2.985 2.295
134 HB3 ALA 24 2HB ALA 24 -11.203 -3.933 3.757
135 H SER 25 H SER 25 -9.173 -5.126 4.347
136 HA SER 25 HA SER 25 -8.457 -4.163 6.822
137 HB2 SER 25 1HB SER 25 -8.967 -6.583 6.085
138 HB3 SER 25 2HB SER 25 -7.244 -6.693 5.726
139 HG SER 25 HG SER 25 -8.054 -5.717 8.225
140 H LEU 26 H LEU 26 -6.224 -5.259 4.268
141 HA LEU 26 HA LEU 26 -3.824 -4.742 5.498
142 HB2 LEU 26 1HB LEU 26 -4.184 -5.795 3.257
143 HB3 LEU 26 2HB LEU 26 -4.411 -4.176 2.598
144 HG LEU 26 HG LEU 26 -1.879 -4.897 4.030
145 HD11 LEU 26 1HD1 LEU 26 -1.118 -5.211 1.505
146 HD12 LEU 26 2HD1 LEU 26 -2.776 -5.790 1.350
147 HD13 LEU 26 3HD1 LEU 26 -1.678 -6.559 2.496
148 HD21 LEU 26 3HD2 LEU 26 -1.501 -3.227 1.794
149 HD22 LEU 26 1HD2 LEU 26 -1.393 -2.799 3.501
150 HD23 LEU 26 2HD2 LEU 26 -2.925 -2.625 2.644
151 H LYS 27 H LYS 27 -5.686 -2.475 3.477
152 HA LYS 27 HA LYS 27 -4.095 -0.267 3.543
153 HB2 LYS 27 1HB LYS 27 -7.047 -0.651 3.511
154 HB3 LYS 27 2HB LYS 27 -6.442 0.974 3.801
155 HG2 LYS 27 1HG LYS 27 -6.909 0.633 1.448
156 HG3 LYS 27 2HG LYS 27 -5.181 0.880 1.709
157 HD2 LYS 27 1HD LYS 27 -5.106 -1.722 1.816
158 HD3 LYS 27 2HD LYS 27 -6.653 -1.618 0.972
159 HE2 LYS 27 1HE LYS 27 -5.706 -0.653 -0.908
160 HE3 LYS 27 2HE LYS 27 -4.297 -0.070 -0.024
161 HZ1 LYS 27 3HZ LYS 27 -4.824 -2.722 -1.141
162 HZ2 LYS 27 1HZ LYS 27 -3.909 -2.634 0.279
163 HZ3 LYS 27 2HZ LYS 27 -3.388 -1.828 -1.113
164 H ARG 28 H ARG 28 -6.786 -0.640 5.855
165 HA ARG 28 HA ARG 28 -6.156 1.340 7.611
166 HB2 ARG 28 1HB ARG 28 -8.154 -0.159 7.729
167 HB3 ARG 28 2HB ARG 28 -7.128 -1.396 8.443
168 HG2 ARG 28 1HG ARG 28 -8.045 -0.474 10.319
169 HG3 ARG 28 2HG ARG 28 -6.579 0.497 10.170
170 HD2 ARG 28 1HD ARG 28 -8.012 2.128 8.822
171 HD3 ARG 28 2HD ARG 28 -9.398 1.235 9.446
172 HE ARG 28 HE ARG 28 -8.011 1.834 11.682
173 HH11 ARG 28 1HH1 ARG 28 -9.130 3.745 8.996
174 HH12 ARG 28 2HH1 ARG 28 -9.321 5.189 9.934
175 HH21 ARG 28 1HH2 ARG 28 -8.259 3.728 12.928
176 HH22 ARG 28 2HH2 ARG 28 -8.825 5.178 12.171
177 H HIS 29 H HIS 29 -4.987 -2.020 7.836
178 HA HIS 29 HA HIS 29 -3.429 -1.866 10.075
179 HB2 HIS 29 1HB HIS 29 -3.462 -3.992 9.195
180 HB3 HIS 29 2HB HIS 29 -3.221 -3.428 7.544
181 HD1 HIS 29 1HD HIS 29 -1.500 -5.119 10.172
182 HD2 HIS 29 2HD HIS 29 -0.405 -2.408 7.221
183 HE1 HIS 29 1HE HIS 29 0.996 -5.336 9.952
184 H THR 30 H THR 30 -2.492 -0.931 6.781
185 HA THR 30 HA THR 30 0.159 -0.215 7.350
186 HB THR 30 HB THR 30 -1.382 1.296 5.280
187 HG1 THR 30 1HG THR 30 -0.908 -1.493 5.334
188 HG21 THR 30 3HG2 THR 30 1.371 0.123 5.546
189 HG22 THR 30 1HG2 THR 30 0.908 1.802 5.272
190 HG23 THR 30 2HG2 THR 30 0.727 0.616 3.980
191 H LEU 31 H LEU 31 -2.847 1.466 7.850
192 HA LEU 31 HA LEU 31 -1.633 4.042 8.266
193 HB2 LEU 31 1HB LEU 31 -4.387 2.919 8.602
194 HB3 LEU 31 2HB LEU 31 -3.982 4.501 9.265
195 HG LEU 31 HG LEU 31 -3.163 4.933 6.785
196 HD11 LEU 31 1HD1 LEU 31 -5.152 3.767 5.431
197 HD12 LEU 31 2HD1 LEU 31 -4.843 2.507 6.624
198 HD13 LEU 31 3HD1 LEU 31 -3.541 3.062 5.572
199 HD21 LEU 31 3HD2 LEU 31 -5.187 6.075 6.394
200 HD22 LEU 31 1HD2 LEU 31 -4.978 6.068 8.145
201 HD23 LEU 31 2HD2 LEU 31 -6.109 4.946 7.389
202 H GLN 32 H GLN 32 -3.138 1.592 10.362
203 HA GLN 32 HA GLN 32 -2.390 2.988 12.761
204 HB2 GLN 32 1HB GLN 32 -4.407 1.401 12.381
205 HB3 GLN 32 2HB GLN 32 -3.247 0.111 12.666
206 HG2 GLN 32 1HG GLN 32 -4.058 2.298 14.560
207 HG3 GLN 32 2HG GLN 32 -4.358 0.568 14.715
208 HE21 GLN 32 1HE2 GLN 32 -2.445 3.060 15.708
209 HE22 GLN 32 2HE2 GLN 32 -1.080 2.165 16.272
210 H THR 33 H THR 33 -1.508 -0.217 11.459
211 HA THR 33 HA THR 33 0.526 -0.823 13.221
212 HB THR 33 HB THR 33 0.686 -1.523 10.294
213 HG1 THR 33 1HG THR 33 -1.405 -2.031 10.869
214 HG21 THR 33 3HG2 THR 33 2.048 -2.352 12.694
215 HG22 THR 33 1HG2 THR 33 2.387 -2.772 11.016
216 HG23 THR 33 2HG2 THR 33 1.226 -3.721 11.945
217 H HIS 34 H HIS 34 0.771 0.919 10.132
218 HA HIS 34 HA HIS 34 3.450 1.827 10.957
219 HB2 HIS 34 1HB HIS 34 2.415 1.664 8.123
220 HB3 HIS 34 2HB HIS 34 4.067 1.989 8.639
221 HD1 HIS 34 1HD HIS 34 4.272 -0.353 10.719
222 HD2 HIS 34 2HD HIS 34 2.883 -0.706 6.819
223 HE1 HIS 34 1HE HIS 34 4.596 -2.770 10.105
224 H SER 35 H SER 35 4.014 3.998 10.586
225 HA SER 35 HA SER 35 1.720 5.789 10.115
226 HB2 SER 35 1HB SER 35 2.838 5.604 12.497
227 HB3 SER 35 2HB SER 35 4.053 6.660 11.776
228 HG SER 35 HG SER 35 1.315 7.147 12.222
229 H ASP 36 H ASP 36 2.221 5.955 7.898
230 HA ASP 36 HA ASP 36 4.647 7.530 7.331
231 HB2 ASP 36 1HB ASP 36 4.404 6.538 4.971
232 HB3 ASP 36 2HB ASP 36 5.022 5.483 6.239
233 H LYS 37 H LYS 37 1.547 6.740 5.748
234 HA LYS 37 HA LYS 37 1.371 9.233 4.415
235 HB2 LYS 37 1HB LYS 37 -0.686 7.099 4.989
236 HB3 LYS 37 2HB LYS 37 -1.026 8.527 4.020
237 HG2 LYS 37 1HG LYS 37 0.522 7.869 2.349
238 HG3 LYS 37 2HG LYS 37 1.179 6.588 3.371
239 HD2 LYS 37 1HD LYS 37 -0.238 5.506 1.827
240 HD3 LYS 37 2HD LYS 37 -1.148 5.571 3.338
241 HE2 LYS 37 1HE LYS 37 -2.594 6.160 1.497
242 HE3 LYS 37 2HE LYS 37 -2.319 7.579 2.507
243 HZ1 LYS 37 3HZ LYS 37 -1.898 7.344 -0.221
244 HZ2 LYS 37 1HZ LYS 37 -0.360 7.448 0.477
245 HZ3 LYS 37 2HZ LYS 37 -1.505 8.658 0.770
246 H SER 38 H SER 38 -0.257 7.945 7.301
247 HA SER 38 HA SER 38 -0.801 10.717 8.120
248 HB2 SER 38 1HB SER 38 -3.006 10.166 8.857
249 HB3 SER 38 2HB SER 38 -2.858 9.544 7.213
250 HG SER 38 HG SER 38 -3.525 8.204 9.368
251 H GLY 39 H GLY 39 -1.584 10.662 10.540
252 HA2 GLY 39 1HA GLY 39 0.059 8.714 12.025
253 HA3 GLY 39 2HA GLY 39 0.190 10.434 12.362
254 HA PRO 40 HA PRO 40 -2.940 10.006 15.405
255 HB2 PRO 40 1HB PRO 40 -3.932 12.533 15.433
256 HB3 PRO 40 2HB PRO 40 -2.354 12.113 16.110
257 HG2 PRO 40 1HG PRO 40 -3.013 13.326 13.454
258 HG3 PRO 40 2HG PRO 40 -1.719 13.753 14.589
259 HD2 PRO 40 1HD PRO 40 -1.286 12.234 12.389
260 HD3 PRO 40 2HD PRO 40 -0.367 12.020 13.893
261 H SER 41 H SER 41 -4.337 8.572 14.265
262 HA SER 41 HA SER 41 -6.580 9.890 12.883
263 HB2 SER 41 1HB SER 41 -5.318 7.184 12.528
264 HB3 SER 41 2HB SER 41 -6.972 7.483 11.997
265 HG SER 41 HG SER 41 -5.578 7.901 10.295
266 H SER 42 H SER 42 -8.197 10.173 14.278
267 HA SER 42 HA SER 42 -9.349 7.873 15.591
268 HB2 SER 42 1HB SER 42 -9.414 9.362 17.788
269 HB3 SER 42 2HB SER 42 -8.050 8.298 17.447
270 HG SER 42 HG SER 42 -8.208 11.075 17.379
271 H GLY 43 H GLY 43 -11.479 8.015 15.370
272 HA2 GLY 43 1HA GLY 43 -12.652 10.624 14.734
273 HA3 GLY 43 2HA GLY 43 -13.396 9.058 14.446
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -12.531 -25.534 -4.656
2 HA2 GLY 1 1HA GLY 1 -10.066 -25.092 -3.102
3 HA3 GLY 1 2HA GLY 1 -11.294 -23.875 -3.417
4 H SER 2 H SER 2 -10.050 -25.101 -0.913
5 HA SER 2 HA SER 2 -11.629 -26.671 0.592
6 HB2 SER 2 1HB SER 2 -10.849 -25.529 2.552
7 HB3 SER 2 2HB SER 2 -9.559 -25.439 1.353
8 HG SER 2 HG SER 2 -10.404 -23.440 2.605
9 H SER 3 H SER 3 -13.436 -26.448 1.950
10 HA SER 3 HA SER 3 -15.492 -24.752 0.887
11 HB2 SER 3 1HB SER 3 -15.399 -26.805 3.089
12 HB3 SER 3 2HB SER 3 -16.830 -25.808 2.827
13 HG SER 3 HG SER 3 -15.730 -27.814 1.220
14 H GLY 4 H GLY 4 -13.825 -25.012 4.021
15 HA2 GLY 4 1HA GLY 4 -15.138 -22.998 5.396
16 HA3 GLY 4 2HA GLY 4 -13.460 -23.446 5.661
17 H SER 5 H SER 5 -11.965 -22.576 3.821
18 HA SER 5 HA SER 5 -11.920 -19.794 4.023
19 HB2 SER 5 1HB SER 5 -10.045 -21.494 3.361
20 HB3 SER 5 2HB SER 5 -10.605 -21.193 1.716
21 HG SER 5 HG SER 5 -9.859 -19.197 1.806
22 H SER 6 H SER 6 -13.625 -18.632 3.326
23 HA SER 6 HA SER 6 -14.364 -18.901 0.486
24 HB2 SER 6 1HB SER 6 -16.160 -18.286 2.843
25 HB3 SER 6 2HB SER 6 -16.656 -18.129 1.157
26 HG SER 6 HG SER 6 -17.181 -20.155 1.391
27 H GLY 7 H GLY 7 -12.877 -17.275 -0.093
28 HA2 GLY 7 1HA GLY 7 -13.644 -14.801 -0.620
29 HA3 GLY 7 2HA GLY 7 -13.234 -14.623 1.080
30 H ASN 8 H ASN 8 -12.086 -14.276 -1.992
31 HA ASN 8 HA ASN 8 -9.524 -15.206 -2.093
32 HB2 ASN 8 1HB ASN 8 -10.823 -12.717 -3.114
33 HB3 ASN 8 2HB ASN 8 -9.072 -12.861 -3.241
34 HD21 ASN 8 1HD2 ASN 8 -11.370 -12.908 -5.206
35 HD22 ASN 8 2HD2 ASN 8 -11.068 -14.309 -6.171
36 H GLY 9 H GLY 9 -7.781 -15.012 -0.853
37 HA2 GLY 9 1HA GLY 9 -7.539 -12.601 0.839
38 HA3 GLY 9 2HA GLY 9 -7.152 -14.208 1.437
39 H ALA 10 H ALA 10 -6.358 -12.511 -1.592
40 HA ALA 10 HA ALA 10 -3.550 -13.251 -1.165
41 HB1 ALA 10 3HB ALA 10 -5.175 -12.661 -3.603
42 HB2 ALA 10 1HB ALA 10 -3.420 -12.490 -3.647
43 HB3 ALA 10 2HB ALA 10 -4.145 -14.048 -3.250
44 H PHE 11 H PHE 11 -3.262 -11.525 0.394
45 HA PHE 11 HA PHE 11 -2.353 -9.103 -0.882
46 HB2 PHE 11 1HB PHE 11 -4.391 -8.827 1.327
47 HB3 PHE 11 2HB PHE 11 -3.707 -7.553 0.323
48 HD1 PHE 11 2HD PHE 11 -4.376 -7.356 -2.047
49 HD2 PHE 11 1HD PHE 11 -6.246 -10.111 0.603
50 HE1 PHE 11 2HE PHE 11 -6.261 -7.577 -3.613
51 HE2 PHE 11 1HE PHE 11 -8.134 -10.338 -0.958
52 HZ PHE 11 HZ PHE 11 -8.144 -9.068 -3.069
53 H PHE 12 H PHE 12 -0.482 -8.581 0.024
54 HA PHE 12 HA PHE 12 -0.064 -9.208 2.869
55 HB2 PHE 12 1HB PHE 12 2.317 -9.736 2.289
56 HB3 PHE 12 2HB PHE 12 1.148 -10.879 1.636
57 HD1 PHE 12 1HD PHE 12 3.425 -8.112 0.814
58 HD2 PHE 12 2HD PHE 12 0.851 -11.140 -0.710
59 HE1 PHE 12 1HE PHE 12 4.347 -7.757 -1.440
60 HE2 PHE 12 2HE PHE 12 1.770 -10.791 -2.966
61 HZ PHE 12 HZ PHE 12 3.521 -9.098 -3.333
62 H CYS 13 H CYS 13 0.879 -7.651 4.075
63 HA CYS 13 HA CYS 13 0.915 -5.004 3.204
64 HB2 CYS 13 1HB CYS 13 0.755 -5.629 5.568
65 HB3 CYS 13 2HB CYS 13 2.406 -6.241 5.529
66 H ASN 14 H ASN 14 2.726 -3.526 3.006
67 HA ASN 14 HA ASN 14 4.887 -4.731 1.468
68 HB2 ASN 14 1HB ASN 14 3.671 -2.785 0.545
69 HB3 ASN 14 2HB ASN 14 4.212 -1.814 1.911
70 HD21 ASN 14 1HD2 ASN 14 4.928 -2.922 -1.190
71 HD22 ASN 14 2HD2 ASN 14 6.548 -2.332 -1.297
72 H GLU 15 H GLU 15 4.592 -2.320 4.083
73 HA GLU 15 HA GLU 15 7.294 -2.135 4.711
74 HB2 GLU 15 1HB GLU 15 4.997 -1.914 6.662
75 HB3 GLU 15 2HB GLU 15 6.599 -1.212 6.841
76 HG2 GLU 15 1HG GLU 15 5.006 -0.468 4.451
77 HG3 GLU 15 2HG GLU 15 4.539 0.205 6.012
78 H CYS 16 H CYS 16 4.815 -4.190 6.237
79 HA CYS 16 HA CYS 16 6.994 -5.891 7.262
80 HB2 CYS 16 1HB CYS 16 5.696 -6.406 9.170
81 HB3 CYS 16 2HB CYS 16 5.527 -4.667 8.955
82 H ASP 17 H ASP 17 5.878 -8.165 7.879
83 HA ASP 17 HA ASP 17 4.600 -9.089 5.391
84 HB2 ASP 17 1HB ASP 17 6.343 -10.640 7.318
85 HB3 ASP 17 2HB ASP 17 5.615 -11.283 5.848
86 H CYS 18 H CYS 18 2.471 -9.211 5.767
87 HA CYS 18 HA CYS 18 1.568 -10.972 7.908
88 HB2 CYS 18 1HB CYS 18 1.526 -8.509 8.659
89 HB3 CYS 18 2HB CYS 18 0.202 -8.317 7.517
90 HG CYS 18 HG CYS 18 -1.510 -8.823 9.364
91 H ARG 19 H ARG 19 -0.766 -11.529 7.664
92 HA ARG 19 HA ARG 19 -1.503 -11.557 4.811
93 HB2 ARG 19 1HB ARG 19 -2.483 -13.705 5.118
94 HB3 ARG 19 2HB ARG 19 -0.893 -13.764 5.865
95 HG2 ARG 19 1HG ARG 19 -1.848 -13.570 8.055
96 HG3 ARG 19 2HG ARG 19 -3.454 -13.299 7.375
97 HD2 ARG 19 1HD ARG 19 -3.740 -15.497 6.820
98 HD3 ARG 19 2HD ARG 19 -2.014 -15.778 6.598
99 HE ARG 19 HE ARG 19 -1.895 -16.432 8.779
100 HH11 ARG 19 1HH1 ARG 19 -4.794 -14.557 8.335
101 HH12 ARG 19 2HH1 ARG 19 -5.384 -14.848 9.938
102 HH21 ARG 19 1HH2 ARG 19 -2.661 -16.823 10.892
103 HH22 ARG 19 2HH2 ARG 19 -4.170 -16.136 11.392
104 H PHE 20 H PHE 20 -3.603 -11.122 4.218
105 HA PHE 20 HA PHE 20 -5.512 -10.434 6.332
106 HB2 PHE 20 1HB PHE 20 -4.863 -8.635 3.986
107 HB3 PHE 20 2HB PHE 20 -6.110 -8.343 5.194
108 HD1 PHE 20 2HD PHE 20 -5.505 -7.725 7.480
109 HD2 PHE 20 1HD PHE 20 -2.553 -8.238 4.457
110 HE1 PHE 20 2HE PHE 20 -3.868 -6.540 8.883
111 HE2 PHE 20 1HE PHE 20 -0.911 -7.054 5.856
112 HZ PHE 20 HZ PHE 20 -1.568 -6.202 8.071
113 H SER 21 H SER 21 -7.681 -10.637 5.763
114 HA SER 21 HA SER 21 -8.170 -12.435 3.552
115 HB2 SER 21 1HB SER 21 -9.735 -11.467 5.905
116 HB3 SER 21 2HB SER 21 -10.618 -12.115 4.523
117 HG SER 21 HG SER 21 -10.205 -13.858 5.761
118 H GLU 22 H GLU 22 -9.077 -9.150 4.496
119 HA GLU 22 HA GLU 22 -10.170 -8.748 1.789
120 HB2 GLU 22 1HB GLU 22 -11.757 -8.502 3.754
121 HB3 GLU 22 2HB GLU 22 -10.822 -7.088 4.221
122 HG2 GLU 22 1HG GLU 22 -12.519 -6.126 3.030
123 HG3 GLU 22 2HG GLU 22 -11.291 -6.315 1.780
124 H GLU 23 H GLU 23 -9.223 -7.288 0.510
125 HA GLU 23 HA GLU 23 -6.741 -6.250 0.881
126 HB2 GLU 23 1HB GLU 23 -7.966 -6.215 -1.263
127 HB3 GLU 23 2HB GLU 23 -8.970 -4.905 -0.657
128 HG2 GLU 23 1HG GLU 23 -6.701 -3.691 -0.299
129 HG3 GLU 23 2HG GLU 23 -6.099 -4.872 -1.461
130 H ALA 24 H ALA 24 -9.798 -4.608 1.642
131 HA ALA 24 HA ALA 24 -8.899 -2.149 2.440
132 HB1 ALA 24 3HB ALA 24 -11.221 -3.815 3.059
133 HB2 ALA 24 1HB ALA 24 -10.827 -2.636 4.310
134 HB3 ALA 24 2HB ALA 24 -11.127 -2.101 2.656
135 H SER 25 H SER 25 -9.420 -4.882 4.680
136 HA SER 25 HA SER 25 -8.488 -3.934 7.003
137 HB2 SER 25 1HB SER 25 -9.114 -6.382 6.275
138 HB3 SER 25 2HB SER 25 -7.367 -6.573 6.130
139 HG SER 25 HG SER 25 -8.126 -7.128 8.219
140 H LEU 26 H LEU 26 -6.406 -5.070 4.362
141 HA LEU 26 HA LEU 26 -3.947 -4.666 5.648
142 HB2 LEU 26 1HB LEU 26 -4.303 -5.956 3.554
143 HB3 LEU 26 2HB LEU 26 -4.528 -4.431 2.699
144 HG LEU 26 HG LEU 26 -1.987 -4.939 4.193
145 HD11 LEU 26 1HD1 LEU 26 -1.546 -6.721 2.933
146 HD12 LEU 26 2HD1 LEU 26 -1.438 -5.603 1.573
147 HD13 LEU 26 3HD1 LEU 26 -2.952 -6.444 1.905
148 HD21 LEU 26 3HD2 LEU 26 -1.343 -3.640 1.933
149 HD22 LEU 26 1HD2 LEU 26 -1.832 -2.824 3.418
150 HD23 LEU 26 2HD2 LEU 26 -3.008 -3.091 2.131
151 H LYS 27 H LYS 27 -5.824 -2.531 3.520
152 HA LYS 27 HA LYS 27 -4.072 -0.399 3.343
153 HB2 LYS 27 1HB LYS 27 -7.031 -0.687 3.202
154 HB3 LYS 27 2HB LYS 27 -6.383 0.940 3.361
155 HG2 LYS 27 1HG LYS 27 -6.703 0.479 1.044
156 HG3 LYS 27 2HG LYS 27 -4.967 0.508 1.365
157 HD2 LYS 27 1HD LYS 27 -5.317 -2.076 1.704
158 HD3 LYS 27 2HD LYS 27 -6.743 -1.795 0.703
159 HE2 LYS 27 1HE LYS 27 -5.017 -2.382 -0.792
160 HE3 LYS 27 2HE LYS 27 -5.194 -0.634 -0.931
161 HZ1 LYS 27 3HZ LYS 27 -3.341 -0.928 1.029
162 HZ2 LYS 27 1HZ LYS 27 -3.008 -0.577 -0.592
163 HZ3 LYS 27 2HZ LYS 27 -2.944 -2.175 -0.043
164 H ARG 28 H ARG 28 -6.607 -0.927 5.789
165 HA ARG 28 HA ARG 28 -6.070 1.376 7.303
166 HB2 ARG 28 1HB ARG 28 -8.062 -0.315 7.396
167 HB3 ARG 28 2HB ARG 28 -7.061 -1.150 8.576
168 HG2 ARG 28 1HG ARG 28 -6.969 0.919 9.915
169 HG3 ARG 28 2HG ARG 28 -8.056 1.685 8.755
170 HD2 ARG 28 1HD ARG 28 -8.701 -0.815 10.311
171 HD3 ARG 28 2HD ARG 28 -9.198 0.810 10.783
172 HE ARG 28 HE ARG 28 -10.016 0.222 8.130
173 HH11 ARG 28 1HH1 ARG 28 -10.778 -0.418 11.466
174 HH12 ARG 28 2HH1 ARG 28 -12.458 -0.710 11.161
175 HH21 ARG 28 1HH2 ARG 28 -12.226 -0.161 7.716
176 HH22 ARG 28 2HH2 ARG 28 -13.281 -0.565 9.028
177 H HIS 29 H HIS 29 -4.882 -1.952 7.625
178 HA HIS 29 HA HIS 29 -3.447 -1.744 9.965
179 HB2 HIS 29 1HB HIS 29 -3.465 -3.896 9.137
180 HB3 HIS 29 2HB HIS 29 -3.127 -3.378 7.488
181 HD1 HIS 29 1HD HIS 29 -1.507 -4.582 10.565
182 HD2 HIS 29 2HD HIS 29 -0.353 -2.814 6.987
183 HE1 HIS 29 1HE HIS 29 0.979 -4.930 10.413
184 H THR 30 H THR 30 -2.174 -1.187 6.680
185 HA THR 30 HA THR 30 0.380 -0.395 7.308
186 HB THR 30 HB THR 30 -1.335 0.835 5.141
187 HG1 THR 30 1HG THR 30 -1.342 -1.331 4.758
188 HG21 THR 30 3HG2 THR 30 1.322 1.365 5.950
189 HG22 THR 30 1HG2 THR 30 0.483 1.962 4.519
190 HG23 THR 30 2HG2 THR 30 1.411 0.464 4.436
191 H LEU 31 H LEU 31 -2.594 1.412 7.634
192 HA LEU 31 HA LEU 31 -1.183 3.877 8.259
193 HB2 LEU 31 1HB LEU 31 -4.000 3.095 7.765
194 HB3 LEU 31 2HB LEU 31 -3.718 4.494 8.798
195 HG LEU 31 HG LEU 31 -4.146 4.941 6.335
196 HD11 LEU 31 1HD1 LEU 31 -1.609 5.986 7.585
197 HD12 LEU 31 2HD1 LEU 31 -3.235 6.618 7.843
198 HD13 LEU 31 3HD1 LEU 31 -2.487 6.735 6.250
199 HD21 LEU 31 3HD2 LEU 31 -2.903 3.379 5.162
200 HD22 LEU 31 1HD2 LEU 31 -1.490 3.571 6.200
201 HD23 LEU 31 2HD2 LEU 31 -1.906 4.829 5.036
202 H GLN 32 H GLN 32 -2.530 1.170 9.878
203 HA GLN 32 HA GLN 32 -2.695 2.570 12.433
204 HB2 GLN 32 1HB GLN 32 -4.475 0.963 11.760
205 HB3 GLN 32 2HB GLN 32 -3.281 -0.327 11.805
206 HG2 GLN 32 1HG GLN 32 -4.574 -0.351 13.827
207 HG3 GLN 32 2HG GLN 32 -2.916 0.122 14.193
208 HE21 GLN 32 1HE2 GLN 32 -2.802 1.663 15.643
209 HE22 GLN 32 2HE2 GLN 32 -3.922 2.963 15.849
210 H THR 33 H THR 33 -1.281 -0.529 11.371
211 HA THR 33 HA THR 33 0.475 -0.804 13.527
212 HB THR 33 HB THR 33 0.699 -1.903 10.720
213 HG1 THR 33 1HG THR 33 -0.098 -3.199 13.127
214 HG21 THR 33 3HG2 THR 33 2.340 -3.442 11.529
215 HG22 THR 33 1HG2 THR 33 2.152 -2.861 13.183
216 HG23 THR 33 2HG2 THR 33 2.881 -1.820 11.960
217 H HIS 34 H HIS 34 1.069 0.505 10.272
218 HA HIS 34 HA HIS 34 3.664 1.516 11.193
219 HB2 HIS 34 1HB HIS 34 2.577 1.431 8.373
220 HB3 HIS 34 2HB HIS 34 4.230 1.801 8.856
221 HD1 HIS 34 1HD HIS 34 5.736 -0.185 9.549
222 HD2 HIS 34 2HD HIS 34 1.918 -1.286 8.336
223 HE1 HIS 34 1HE HIS 34 5.830 -2.676 9.209
224 H SER 35 H SER 35 2.750 3.231 12.441
225 HA SER 35 HA SER 35 1.083 5.220 11.254
226 HB2 SER 35 1HB SER 35 2.756 5.330 13.776
227 HB3 SER 35 2HB SER 35 1.518 6.501 13.321
228 HG SER 35 HG SER 35 0.942 3.745 13.545
229 H ASP 36 H ASP 36 1.800 6.443 9.636
230 HA ASP 36 HA ASP 36 4.463 6.992 9.019
231 HB2 ASP 36 1HB ASP 36 2.155 8.807 8.321
232 HB3 ASP 36 2HB ASP 36 3.642 8.549 7.413
233 H LYS 37 H LYS 37 2.077 9.071 10.652
234 HA LYS 37 HA LYS 37 3.675 11.284 11.102
235 HB2 LYS 37 1HB LYS 37 1.152 10.840 11.623
236 HB3 LYS 37 2HB LYS 37 1.750 10.355 13.204
237 HG2 LYS 37 1HG LYS 37 2.574 12.501 13.672
238 HG3 LYS 37 2HG LYS 37 2.446 13.007 11.986
239 HD2 LYS 37 1HD LYS 37 0.062 13.037 12.100
240 HD3 LYS 37 2HD LYS 37 0.072 12.264 13.687
241 HE2 LYS 37 1HE LYS 37 -0.354 14.573 14.043
242 HE3 LYS 37 2HE LYS 37 1.310 14.276 14.544
243 HZ1 LYS 37 3HZ LYS 37 2.010 15.094 12.328
244 HZ2 LYS 37 1HZ LYS 37 1.246 16.273 13.271
245 HZ3 LYS 37 2HZ LYS 37 0.406 15.525 12.008
246 H SER 38 H SER 38 3.307 8.377 13.101
247 HA SER 38 HA SER 38 4.915 9.166 15.242
248 HB2 SER 38 1HB SER 38 3.407 7.100 15.047
249 HB3 SER 38 2HB SER 38 4.769 6.326 14.236
250 HG SER 38 HG SER 38 4.676 7.360 16.873
251 H GLY 39 H GLY 39 7.082 8.414 15.807
252 HA2 GLY 39 1HA GLY 39 8.811 8.082 13.434
253 HA3 GLY 39 2HA GLY 39 9.221 9.197 14.729
254 HA PRO 40 HA PRO 40 11.440 5.262 15.618
255 HB2 PRO 40 1HB PRO 40 13.705 6.483 16.483
256 HB3 PRO 40 2HB PRO 40 13.388 6.144 14.778
257 HG2 PRO 40 1HG PRO 40 13.040 8.700 16.296
258 HG3 PRO 40 2HG PRO 40 13.719 8.443 14.678
259 HD2 PRO 40 1HD PRO 40 11.187 9.317 15.074
260 HD3 PRO 40 2HD PRO 40 11.641 8.299 13.692
261 H SER 41 H SER 41 10.775 8.155 17.446
262 HA SER 41 HA SER 41 11.116 6.650 19.955
263 HB2 SER 41 1HB SER 41 11.312 8.826 21.077
264 HB3 SER 41 2HB SER 41 12.517 8.670 19.799
265 HG SER 41 HG SER 41 11.585 10.670 19.588
266 H SER 42 H SER 42 9.541 7.030 21.648
267 HA SER 42 HA SER 42 7.349 6.743 22.284
268 HB2 SER 42 1HB SER 42 7.498 9.493 21.070
269 HB3 SER 42 2HB SER 42 6.006 8.902 21.801
270 HG SER 42 HG SER 42 7.684 8.351 23.602
271 H GLY 43 H GLY 43 7.797 5.352 19.928
272 HA2 GLY 43 1HA GLY 43 5.112 5.392 18.803
273 HA3 GLY 43 2HA GLY 43 6.423 5.690 17.671
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -9.827 -23.632 3.185
2 HA2 GLY 1 1HA GLY 1 -7.729 -25.468 2.998
3 HA3 GLY 1 2HA GLY 1 -8.119 -24.952 1.364
4 H SER 2 H SER 2 -6.880 -23.961 4.475
5 HA SER 2 HA SER 2 -6.593 -21.277 4.303
6 HB2 SER 2 1HB SER 2 -4.411 -21.543 5.514
7 HB3 SER 2 2HB SER 2 -5.733 -22.481 6.210
8 HG SER 2 HG SER 2 -4.233 -23.990 6.060
9 H SER 3 H SER 3 -4.237 -23.582 2.938
10 HA SER 3 HA SER 3 -2.989 -21.457 1.408
11 HB2 SER 3 1HB SER 3 -1.723 -23.355 2.552
12 HB3 SER 3 2HB SER 3 -2.330 -24.400 1.268
13 HG SER 3 HG SER 3 -0.399 -22.419 1.185
14 H GLY 4 H GLY 4 -4.513 -20.842 -0.113
15 HA2 GLY 4 1HA GLY 4 -5.094 -22.880 -2.172
16 HA3 GLY 4 2HA GLY 4 -6.297 -21.704 -1.664
17 H SER 5 H SER 5 -5.355 -22.106 -4.331
18 HA SER 5 HA SER 5 -3.945 -19.563 -4.807
19 HB2 SER 5 1HB SER 5 -2.911 -21.851 -5.541
20 HB3 SER 5 2HB SER 5 -4.080 -21.751 -6.857
21 HG SER 5 HG SER 5 -2.770 -20.413 -7.783
22 H SER 6 H SER 6 -4.547 -18.403 -6.773
23 HA SER 6 HA SER 6 -6.127 -17.277 -7.971
24 HB2 SER 6 1HB SER 6 -6.690 -20.164 -8.488
25 HB3 SER 6 2HB SER 6 -7.837 -18.968 -9.091
26 HG SER 6 HG SER 6 -6.010 -17.936 -10.109
27 H GLY 7 H GLY 7 -6.654 -17.209 -5.280
28 HA2 GLY 7 1HA GLY 7 -9.564 -17.652 -5.094
29 HA3 GLY 7 2HA GLY 7 -8.475 -17.541 -3.719
30 H ASN 8 H ASN 8 -10.611 -16.039 -3.487
31 HA ASN 8 HA ASN 8 -9.988 -13.360 -4.492
32 HB2 ASN 8 1HB ASN 8 -12.260 -12.806 -3.495
33 HB3 ASN 8 2HB ASN 8 -12.267 -13.930 -4.852
34 HD21 ASN 8 1HD2 ASN 8 -14.407 -14.421 -3.943
35 HD22 ASN 8 2HD2 ASN 8 -14.512 -15.614 -2.698
36 H GLY 9 H GLY 9 -8.650 -12.215 -3.254
37 HA2 GLY 9 1HA GLY 9 -8.645 -10.867 -1.176
38 HA3 GLY 9 2HA GLY 9 -9.023 -12.357 -0.325
39 H ALA 10 H ALA 10 -6.589 -11.279 -2.702
40 HA ALA 10 HA ALA 10 -4.543 -12.584 -1.029
41 HB1 ALA 10 3HB ALA 10 -3.530 -13.412 -2.859
42 HB2 ALA 10 1HB ALA 10 -5.112 -13.180 -3.603
43 HB3 ALA 10 2HB ALA 10 -3.849 -11.967 -3.819
44 H PHE 11 H PHE 11 -4.171 -10.758 0.268
45 HA PHE 11 HA PHE 11 -2.553 -8.703 -1.044
46 HB2 PHE 11 1HB PHE 11 -4.711 -8.045 0.970
47 HB3 PHE 11 2HB PHE 11 -3.649 -6.901 0.155
48 HD1 PHE 11 2HD PHE 11 -3.710 -7.507 -2.587
49 HD2 PHE 11 1HD PHE 11 -6.869 -7.853 0.245
50 HE1 PHE 11 2HE PHE 11 -5.357 -7.270 -4.400
51 HE2 PHE 11 1HE PHE 11 -8.521 -7.617 -1.564
52 HZ PHE 11 HZ PHE 11 -7.765 -7.324 -3.890
53 H PHE 12 H PHE 12 -0.629 -8.803 -0.110
54 HA PHE 12 HA PHE 12 -0.499 -9.296 2.792
55 HB2 PHE 12 1HB PHE 12 1.784 -10.251 2.335
56 HB3 PHE 12 2HB PHE 12 0.450 -11.189 1.673
57 HD1 PHE 12 2HD PHE 12 -0.059 -11.030 -0.769
58 HD2 PHE 12 1HD PHE 12 3.458 -9.359 0.948
59 HE1 PHE 12 2HE PHE 12 0.979 -10.935 -2.997
60 HE2 PHE 12 1HE PHE 12 4.502 -9.260 -1.277
61 HZ PHE 12 HZ PHE 12 3.263 -10.050 -3.254
62 H CYS 13 H CYS 13 0.611 -7.887 4.027
63 HA CYS 13 HA CYS 13 1.279 -5.345 3.009
64 HB2 CYS 13 1HB CYS 13 0.585 -5.765 5.351
65 HB3 CYS 13 2HB CYS 13 2.115 -6.588 5.638
66 H ASN 14 H ASN 14 3.114 -4.529 2.207
67 HA ASN 14 HA ASN 14 5.356 -6.314 1.791
68 HB2 ASN 14 1HB ASN 14 5.177 -3.421 0.950
69 HB3 ASN 14 2HB ASN 14 6.172 -4.695 0.250
70 HD21 ASN 14 1HD2 ASN 14 3.915 -2.839 -0.692
71 HD22 ASN 14 2HD2 ASN 14 2.870 -3.901 -1.566
72 H GLU 15 H GLU 15 4.721 -3.243 3.443
73 HA GLU 15 HA GLU 15 7.264 -2.594 4.284
74 HB2 GLU 15 1HB GLU 15 4.671 -2.270 5.806
75 HB3 GLU 15 2HB GLU 15 6.175 -1.446 6.193
76 HG2 GLU 15 1HG GLU 15 6.077 -0.530 3.811
77 HG3 GLU 15 2HG GLU 15 4.402 -1.078 3.809
78 H CYS 16 H CYS 16 4.876 -4.482 6.146
79 HA CYS 16 HA CYS 16 7.126 -5.686 7.621
80 HB2 CYS 16 1HB CYS 16 5.780 -5.842 9.547
81 HB3 CYS 16 2HB CYS 16 5.429 -4.245 8.895
82 H ASP 17 H ASP 17 6.383 -7.883 8.625
83 HA ASP 17 HA ASP 17 5.557 -9.539 6.380
84 HB2 ASP 17 1HB ASP 17 6.158 -11.406 8.073
85 HB3 ASP 17 2HB ASP 17 7.461 -10.427 7.402
86 H CYS 18 H CYS 18 3.419 -9.720 6.129
87 HA CYS 18 HA CYS 18 1.840 -11.109 8.003
88 HB2 CYS 18 1HB CYS 18 2.045 -8.649 8.921
89 HB3 CYS 18 2HB CYS 18 0.827 -8.310 7.698
90 HG CYS 18 HG CYS 18 -0.671 -8.567 9.923
91 H ARG 19 H ARG 19 -0.476 -11.228 7.305
92 HA ARG 19 HA ARG 19 -0.795 -10.630 4.444
93 HB2 ARG 19 1HB ARG 19 -1.917 -12.836 4.172
94 HB3 ARG 19 2HB ARG 19 -0.207 -12.962 4.560
95 HG2 ARG 19 1HG ARG 19 -0.600 -13.811 6.651
96 HG3 ARG 19 2HG ARG 19 -2.192 -13.060 6.775
97 HD2 ARG 19 1HD ARG 19 -3.153 -14.662 5.306
98 HD3 ARG 19 2HD ARG 19 -1.569 -15.288 4.851
99 HE ARG 19 HE ARG 19 -2.081 -15.544 7.650
100 HH11 ARG 19 1HH1 ARG 19 -2.675 -16.977 4.534
101 HH12 ARG 19 2HH1 ARG 19 -2.917 -18.571 5.167
102 HH21 ARG 19 1HH2 ARG 19 -2.399 -17.638 8.497
103 HH22 ARG 19 2HH2 ARG 19 -2.761 -18.946 7.422
104 H PHE 20 H PHE 20 -3.007 -10.515 3.718
105 HA PHE 20 HA PHE 20 -5.085 -10.401 5.744
106 HB2 PHE 20 1HB PHE 20 -4.325 -7.975 4.103
107 HB3 PHE 20 2HB PHE 20 -5.756 -8.101 5.121
108 HD1 PHE 20 2HD PHE 20 -5.467 -8.367 7.596
109 HD2 PHE 20 1HD PHE 20 -2.238 -7.392 5.001
110 HE1 PHE 20 2HE PHE 20 -4.168 -7.559 9.522
111 HE2 PHE 20 1HE PHE 20 -0.933 -6.583 6.924
112 HZ PHE 20 HZ PHE 20 -1.898 -6.664 9.188
113 H SER 21 H SER 21 -6.763 -11.433 4.913
114 HA SER 21 HA SER 21 -7.003 -11.806 2.057
115 HB2 SER 21 1HB SER 21 -8.836 -13.322 2.610
116 HB3 SER 21 2HB SER 21 -7.442 -13.666 3.633
117 HG SER 21 HG SER 21 -8.956 -13.529 5.122
118 H GLU 22 H GLU 22 -7.289 -9.119 2.814
119 HA GLU 22 HA GLU 22 -9.685 -8.444 1.480
120 HB2 GLU 22 1HB GLU 22 -10.759 -9.036 3.576
121 HB3 GLU 22 2HB GLU 22 -9.657 -7.997 4.469
122 HG2 GLU 22 1HG GLU 22 -11.706 -6.841 4.296
123 HG3 GLU 22 2HG GLU 22 -10.585 -6.060 3.183
124 H GLU 23 H GLU 23 -9.519 -6.441 0.641
125 HA GLU 23 HA GLU 23 -7.106 -5.018 0.850
126 HB2 GLU 23 1HB GLU 23 -8.921 -5.021 -1.021
127 HB3 GLU 23 2HB GLU 23 -9.645 -3.722 -0.083
128 HG2 GLU 23 1HG GLU 23 -7.467 -2.512 -0.225
129 HG3 GLU 23 2HG GLU 23 -6.912 -3.763 -1.335
130 H ALA 24 H ALA 24 -10.322 -4.352 2.201
131 HA ALA 24 HA ALA 24 -9.812 -1.914 3.408
132 HB1 ALA 24 3HB ALA 24 -12.040 -2.915 3.254
133 HB2 ALA 24 1HB ALA 24 -11.580 -4.122 4.456
134 HB3 ALA 24 2HB ALA 24 -11.666 -2.418 4.904
135 H SER 25 H SER 25 -9.493 -5.155 4.859
136 HA SER 25 HA SER 25 -8.602 -4.437 7.364
137 HB2 SER 25 1HB SER 25 -8.161 -6.830 5.628
138 HB3 SER 25 2HB SER 25 -7.213 -6.678 7.107
139 HG SER 25 HG SER 25 -9.051 -6.732 8.301
140 H LEU 26 H LEU 26 -6.546 -5.223 4.557
141 HA LEU 26 HA LEU 26 -4.098 -4.598 5.739
142 HB2 LEU 26 1HB LEU 26 -4.142 -5.816 3.697
143 HB3 LEU 26 2HB LEU 26 -5.004 -4.520 2.871
144 HG LEU 26 HG LEU 26 -2.861 -3.133 3.345
145 HD11 LEU 26 1HD1 LEU 26 -0.859 -4.285 3.674
146 HD12 LEU 26 2HD1 LEU 26 -1.591 -5.849 3.317
147 HD13 LEU 26 3HD1 LEU 26 -1.971 -5.023 4.828
148 HD21 LEU 26 3HD2 LEU 26 -3.720 -4.791 1.213
149 HD22 LEU 26 1HD2 LEU 26 -1.966 -4.937 1.339
150 HD23 LEU 26 2HD2 LEU 26 -2.707 -3.348 1.144
151 H LYS 27 H LYS 27 -5.862 -2.577 3.384
152 HA LYS 27 HA LYS 27 -4.432 -0.291 3.456
153 HB2 LYS 27 1HB LYS 27 -7.361 -0.806 3.237
154 HB3 LYS 27 2HB LYS 27 -6.825 0.860 3.410
155 HG2 LYS 27 1HG LYS 27 -5.554 0.749 1.408
156 HG3 LYS 27 2HG LYS 27 -5.767 -1.000 1.298
157 HD2 LYS 27 1HD LYS 27 -7.323 -0.215 -0.228
158 HD3 LYS 27 2HD LYS 27 -8.300 -0.429 1.226
159 HE2 LYS 27 1HE LYS 27 -8.313 1.883 1.679
160 HE3 LYS 27 2HE LYS 27 -7.006 2.195 0.537
161 HZ1 LYS 27 3HZ LYS 27 -9.852 1.852 0.051
162 HZ2 LYS 27 1HZ LYS 27 -8.819 1.146 -1.088
163 HZ3 LYS 27 2HZ LYS 27 -8.719 2.804 -0.769
164 H ARG 28 H ARG 28 -6.785 -1.302 5.899
165 HA ARG 28 HA ARG 28 -6.524 1.061 7.476
166 HB2 ARG 28 1HB ARG 28 -8.498 -0.512 7.485
167 HB3 ARG 28 2HB ARG 28 -7.504 -1.643 8.393
168 HG2 ARG 28 1HG ARG 28 -7.295 -0.058 10.208
169 HG3 ARG 28 2HG ARG 28 -8.198 1.147 9.287
170 HD2 ARG 28 1HD ARG 28 -9.255 -1.527 10.201
171 HD3 ARG 28 2HD ARG 28 -9.600 0.026 10.960
172 HE ARG 28 HE ARG 28 -11.056 0.524 9.240
173 HH11 ARG 28 1HH1 ARG 28 -9.259 -2.363 8.497
174 HH12 ARG 28 2HH1 ARG 28 -10.254 -2.792 7.146
175 HH21 ARG 28 1HH2 ARG 28 -12.374 -0.029 7.463
176 HH22 ARG 28 2HH2 ARG 28 -12.025 -1.463 6.557
177 H HIS 29 H HIS 29 -4.920 -2.048 7.389
178 HA HIS 29 HA HIS 29 -3.630 -1.862 9.904
179 HB2 HIS 29 1HB HIS 29 -3.595 -4.026 9.118
180 HB3 HIS 29 2HB HIS 29 -3.296 -3.531 7.454
181 HD1 HIS 29 1HD HIS 29 -1.623 -4.819 10.418
182 HD2 HIS 29 2HD HIS 29 -0.519 -2.725 7.004
183 HE1 HIS 29 1HE HIS 29 0.875 -5.062 10.258
184 H THR 30 H THR 30 -2.334 -1.385 6.613
185 HA THR 30 HA THR 30 0.176 -0.452 7.317
186 HB THR 30 HB THR 30 -1.408 0.531 4.940
187 HG1 THR 30 1HG THR 30 0.144 -1.841 5.258
188 HG21 THR 30 3HG2 THR 30 1.306 0.057 4.337
189 HG22 THR 30 1HG2 THR 30 1.274 0.963 5.850
190 HG23 THR 30 2HG2 THR 30 0.471 1.607 4.418
191 H LEU 31 H LEU 31 -2.853 1.069 7.712
192 HA LEU 31 HA LEU 31 -1.785 3.764 7.784
193 HB2 LEU 31 1HB LEU 31 -3.987 3.542 6.918
194 HB3 LEU 31 2HB LEU 31 -4.509 2.605 8.316
195 HG LEU 31 HG LEU 31 -4.062 4.742 9.668
196 HD11 LEU 31 1HD1 LEU 31 -4.637 6.302 7.244
197 HD12 LEU 31 2HD1 LEU 31 -2.996 5.668 7.366
198 HD13 LEU 31 3HD1 LEU 31 -3.640 6.698 8.645
199 HD21 LEU 31 3HD2 LEU 31 -6.304 5.202 7.782
200 HD22 LEU 31 1HD2 LEU 31 -6.279 5.234 9.545
201 HD23 LEU 31 2HD2 LEU 31 -6.296 3.690 8.692
202 H GLN 32 H GLN 32 -3.116 1.403 10.075
203 HA GLN 32 HA GLN 32 -2.563 3.100 12.341
204 HB2 GLN 32 1HB GLN 32 -4.502 1.591 12.342
205 HB3 GLN 32 2HB GLN 32 -3.427 0.205 12.225
206 HG2 GLN 32 1HG GLN 32 -3.117 2.116 14.491
207 HG3 GLN 32 2HG GLN 32 -4.415 0.923 14.523
208 HE21 GLN 32 1HE2 GLN 32 -3.760 -1.342 14.192
209 HE22 GLN 32 2HE2 GLN 32 -2.251 -1.861 14.853
210 H THR 33 H THR 33 -1.474 -0.186 11.470
211 HA THR 33 HA THR 33 0.596 -0.374 13.305
212 HB THR 33 HB THR 33 0.532 -1.602 10.541
213 HG1 THR 33 1HG THR 33 -1.278 -2.299 11.594
214 HG21 THR 33 3HG2 THR 33 1.751 -3.193 12.611
215 HG22 THR 33 1HG2 THR 33 2.554 -1.629 12.482
216 HG23 THR 33 2HG2 THR 33 2.419 -2.670 11.065
217 H HIS 34 H HIS 34 0.648 0.906 10.001
218 HA HIS 34 HA HIS 34 3.344 1.970 10.539
219 HB2 HIS 34 1HB HIS 34 2.138 1.423 7.822
220 HB3 HIS 34 2HB HIS 34 3.805 1.868 8.177
221 HD1 HIS 34 1HD HIS 34 4.483 -0.127 10.377
222 HD2 HIS 34 2HD HIS 34 2.383 -1.129 6.935
223 HE1 HIS 34 1HE HIS 34 4.811 -2.603 10.086
224 H SER 35 H SER 35 3.802 4.099 9.967
225 HA SER 35 HA SER 35 3.343 6.331 9.877
226 HB2 SER 35 1HB SER 35 2.935 5.551 7.487
227 HB3 SER 35 2HB SER 35 1.214 5.582 7.870
228 HG SER 35 HG SER 35 1.362 7.778 8.252
229 H ASP 36 H ASP 36 2.132 5.166 12.021
230 HA ASP 36 HA ASP 36 -0.606 5.418 12.318
231 HB2 ASP 36 1HB ASP 36 1.188 4.535 13.971
232 HB3 ASP 36 2HB ASP 36 1.272 6.204 14.528
233 H LYS 37 H LYS 37 1.894 7.881 12.889
234 HA LYS 37 HA LYS 37 1.807 10.153 12.949
235 HB2 LYS 37 1HB LYS 37 -0.566 9.475 11.260
236 HB3 LYS 37 2HB LYS 37 -0.350 11.137 11.794
237 HG2 LYS 37 1HG LYS 37 1.634 11.392 10.602
238 HG3 LYS 37 2HG LYS 37 1.865 9.650 10.433
239 HD2 LYS 37 1HD LYS 37 1.152 10.337 8.315
240 HD3 LYS 37 2HD LYS 37 -0.308 9.692 9.069
241 HE2 LYS 37 1HE LYS 37 -0.946 11.719 8.038
242 HE3 LYS 37 2HE LYS 37 -0.838 12.065 9.764
243 HZ1 LYS 37 3HZ LYS 37 0.249 13.836 8.763
244 HZ2 LYS 37 1HZ LYS 37 1.009 12.865 7.605
245 HZ3 LYS 37 2HZ LYS 37 1.525 12.822 9.215
246 H SER 38 H SER 38 0.992 8.835 15.239
247 HA SER 38 HA SER 38 -1.485 9.587 16.288
248 HB2 SER 38 1HB SER 38 -0.424 9.226 18.514
249 HB3 SER 38 2HB SER 38 -0.113 7.910 17.384
250 HG SER 38 HG SER 38 1.644 10.000 18.142
251 H GLY 39 H GLY 39 -1.685 11.097 18.251
252 HA2 GLY 39 1HA GLY 39 -0.068 13.313 18.659
253 HA3 GLY 39 2HA GLY 39 -1.168 13.744 17.358
254 HA PRO 40 HA PRO 40 -3.085 14.367 21.654
255 HB2 PRO 40 1HB PRO 40 -3.072 17.082 21.668
256 HB3 PRO 40 2HB PRO 40 -1.740 16.111 22.309
257 HG2 PRO 40 1HG PRO 40 -1.987 17.471 19.653
258 HG3 PRO 40 2HG PRO 40 -0.592 17.393 20.745
259 HD2 PRO 40 1HD PRO 40 -0.820 15.812 18.558
260 HD3 PRO 40 2HD PRO 40 0.002 15.281 20.039
261 H SER 41 H SER 41 -5.030 15.936 22.056
262 HA SER 41 HA SER 41 -7.180 16.457 21.523
263 HB2 SER 41 1HB SER 41 -5.804 17.212 18.942
264 HB3 SER 41 2HB SER 41 -7.516 17.516 19.239
265 HG SER 41 HG SER 41 -6.965 19.180 20.381
266 H SER 42 H SER 42 -6.558 13.763 21.364
267 HA SER 42 HA SER 42 -7.350 12.536 18.945
268 HB2 SER 42 1HB SER 42 -7.275 11.532 21.794
269 HB3 SER 42 2HB SER 42 -7.718 10.508 20.428
270 HG SER 42 HG SER 42 -5.304 11.040 21.290
271 H GLY 43 H GLY 43 -9.305 10.984 18.925
272 HA2 GLY 43 1HA GLY 43 -11.638 12.267 18.590
273 HA3 GLY 43 2HA GLY 43 -11.583 10.607 19.164
Start of MODEL 13
1 H1 GLY 1 H GLY 1 9.567 -24.638 5.639
2 HA2 GLY 1 1HA GLY 1 7.519 -23.456 5.323
3 HA3 GLY 1 2HA GLY 1 7.616 -22.905 6.989
4 H SER 2 H SER 2 7.962 -20.802 7.133
5 HA SER 2 HA SER 2 8.433 -18.659 6.414
6 HB2 SER 2 1HB SER 2 11.033 -20.163 6.512
7 HB3 SER 2 2HB SER 2 11.007 -18.453 6.082
8 HG SER 2 HG SER 2 10.235 -17.954 8.066
9 H SER 3 H SER 3 7.352 -20.075 4.286
10 HA SER 3 HA SER 3 8.868 -18.951 2.027
11 HB2 SER 3 1HB SER 3 8.041 -20.859 0.642
12 HB3 SER 3 2HB SER 3 9.140 -21.355 1.928
13 HG SER 3 HG SER 3 6.407 -21.329 2.489
14 H GLY 4 H GLY 4 7.395 -18.793 0.022
15 HA2 GLY 4 1HA GLY 4 5.112 -17.211 0.796
16 HA3 GLY 4 2HA GLY 4 5.696 -17.474 -0.841
17 H SER 5 H SER 5 4.608 -19.760 1.656
18 HA SER 5 HA SER 5 2.450 -20.590 -0.167
19 HB2 SER 5 1HB SER 5 4.542 -22.255 1.171
20 HB3 SER 5 2HB SER 5 2.932 -22.940 0.950
21 HG SER 5 HG SER 5 4.859 -22.788 -0.827
22 H SER 6 H SER 6 1.101 -19.217 1.144
23 HA SER 6 HA SER 6 0.569 -20.248 3.845
24 HB2 SER 6 1HB SER 6 -0.613 -18.101 4.220
25 HB3 SER 6 2HB SER 6 1.076 -17.863 3.773
26 HG SER 6 HG SER 6 -1.030 -17.802 1.882
27 H GLY 7 H GLY 7 -1.742 -20.238 4.530
28 HA2 GLY 7 1HA GLY 7 -3.306 -21.960 3.116
29 HA3 GLY 7 2HA GLY 7 -3.966 -20.769 4.227
30 H ASN 8 H ASN 8 -3.963 -18.453 3.172
31 HA ASN 8 HA ASN 8 -5.168 -18.753 0.500
32 HB2 ASN 8 1HB ASN 8 -6.284 -16.475 1.287
33 HB3 ASN 8 2HB ASN 8 -6.967 -18.035 1.735
34 HD21 ASN 8 1HD2 ASN 8 -7.934 -17.205 3.573
35 HD22 ASN 8 2HD2 ASN 8 -7.028 -16.764 4.976
36 H GLY 9 H GLY 9 -3.500 -16.380 2.577
37 HA2 GLY 9 1HA GLY 9 -2.051 -14.675 2.060
38 HA3 GLY 9 2HA GLY 9 -1.482 -15.740 0.783
39 H ALA 10 H ALA 10 -4.659 -14.214 1.163
40 HA ALA 10 HA ALA 10 -4.919 -13.502 -1.520
41 HB1 ALA 10 3HB ALA 10 -6.223 -12.078 0.792
42 HB2 ALA 10 1HB ALA 10 -6.812 -12.205 -0.866
43 HB3 ALA 10 2HB ALA 10 -6.761 -13.636 0.165
44 H PHE 11 H PHE 11 -3.910 -11.507 1.250
45 HA PHE 11 HA PHE 11 -2.504 -9.746 -0.627
46 HB2 PHE 11 1HB PHE 11 -4.280 -8.785 1.626
47 HB3 PHE 11 2HB PHE 11 -3.273 -7.759 0.611
48 HD1 PHE 11 2HD PHE 11 -3.839 -7.410 -1.749
49 HD2 PHE 11 1HD PHE 11 -6.364 -9.644 0.849
50 HE1 PHE 11 2HE PHE 11 -5.684 -7.195 -3.363
51 HE2 PHE 11 1HE PHE 11 -8.213 -9.434 -0.761
52 HZ PHE 11 HZ PHE 11 -7.874 -8.207 -2.869
53 H PHE 12 H PHE 12 -0.649 -8.763 0.183
54 HA PHE 12 HA PHE 12 0.172 -9.574 2.889
55 HB2 PHE 12 1HB PHE 12 2.322 -10.235 2.153
56 HB3 PHE 12 2HB PHE 12 1.197 -10.975 1.018
57 HD1 PHE 12 1HD PHE 12 3.729 -8.370 1.479
58 HD2 PHE 12 2HD PHE 12 1.107 -10.279 -1.278
59 HE1 PHE 12 1HE PHE 12 4.930 -7.313 -0.391
60 HE2 PHE 12 2HE PHE 12 2.305 -9.226 -3.151
61 HZ PHE 12 HZ PHE 12 4.219 -7.741 -2.710
62 H CYS 13 H CYS 13 0.877 -7.948 4.106
63 HA CYS 13 HA CYS 13 0.792 -5.288 3.333
64 HB2 CYS 13 1HB CYS 13 0.789 -6.170 5.689
65 HB3 CYS 13 2HB CYS 13 2.529 -6.398 5.543
66 H ASN 14 H ASN 14 2.378 -3.739 2.861
67 HA ASN 14 HA ASN 14 4.603 -4.773 1.331
68 HB2 ASN 14 1HB ASN 14 3.338 -2.936 0.389
69 HB3 ASN 14 2HB ASN 14 3.628 -1.952 1.820
70 HD21 ASN 14 1HD2 ASN 14 5.608 -3.897 -0.397
71 HD22 ASN 14 2HD2 ASN 14 6.794 -2.672 -0.679
72 H GLU 15 H GLU 15 4.249 -2.433 4.002
73 HA GLU 15 HA GLU 15 6.969 -2.106 4.529
74 HB2 GLU 15 1HB GLU 15 4.556 -1.858 6.323
75 HB3 GLU 15 2HB GLU 15 6.180 -1.434 6.845
76 HG2 GLU 15 1HG GLU 15 4.641 -0.180 4.585
77 HG3 GLU 15 2HG GLU 15 4.984 0.541 6.156
78 H CYS 16 H CYS 16 4.635 -4.200 6.232
79 HA CYS 16 HA CYS 16 6.912 -5.811 7.179
80 HB2 CYS 16 1HB CYS 16 5.647 -6.406 9.098
81 HB3 CYS 16 2HB CYS 16 5.439 -4.669 8.902
82 H ASP 17 H ASP 17 6.043 -8.149 7.761
83 HA ASP 17 HA ASP 17 4.826 -9.166 5.289
84 HB2 ASP 17 1HB ASP 17 5.772 -11.399 6.300
85 HB3 ASP 17 2HB ASP 17 6.849 -10.267 5.487
86 H CYS 18 H CYS 18 2.654 -8.956 5.762
87 HA CYS 18 HA CYS 18 1.667 -10.725 7.897
88 HB2 CYS 18 1HB CYS 18 0.961 -7.894 7.301
89 HB3 CYS 18 2HB CYS 18 -0.339 -8.966 7.807
90 HG CYS 18 HG CYS 18 2.507 -8.331 9.600
91 H ARG 19 H ARG 19 -0.865 -10.989 7.506
92 HA ARG 19 HA ARG 19 -1.410 -11.341 4.653
93 HB2 ARG 19 1HB ARG 19 -2.147 -13.637 4.962
94 HB3 ARG 19 2HB ARG 19 -0.467 -13.473 5.453
95 HG2 ARG 19 1HG ARG 19 -1.453 -13.157 7.829
96 HG3 ARG 19 2HG ARG 19 -2.894 -13.905 7.136
97 HD2 ARG 19 1HD ARG 19 -1.545 -15.616 8.145
98 HD3 ARG 19 2HD ARG 19 -1.484 -15.807 6.394
99 HE ARG 19 HE ARG 19 0.690 -14.264 7.012
100 HH11 ARG 19 1HH1 ARG 19 -0.489 -17.396 7.970
101 HH12 ARG 19 2HH1 ARG 19 1.090 -18.049 8.253
102 HH21 ARG 19 1HH2 ARG 19 2.775 -15.112 7.381
103 HH22 ARG 19 2HH2 ARG 19 2.947 -16.748 7.919
104 H PHE 20 H PHE 20 -3.505 -11.024 4.098
105 HA PHE 20 HA PHE 20 -5.536 -10.942 6.201
106 HB2 PHE 20 1HB PHE 20 -4.965 -8.667 4.291
107 HB3 PHE 20 2HB PHE 20 -6.387 -8.770 5.324
108 HD1 PHE 20 2HD PHE 20 -6.200 -8.489 7.732
109 HD2 PHE 20 1HD PHE 20 -2.805 -8.128 5.191
110 HE1 PHE 20 2HE PHE 20 -4.956 -7.402 9.555
111 HE2 PHE 20 1HE PHE 20 -1.555 -7.041 7.010
112 HZ PHE 20 HZ PHE 20 -2.630 -6.676 9.195
113 H SER 21 H SER 21 -7.736 -10.934 5.363
114 HA SER 21 HA SER 21 -7.883 -12.365 2.806
115 HB2 SER 21 1HB SER 21 -10.222 -12.958 3.660
116 HB3 SER 21 2HB SER 21 -8.860 -13.661 4.533
117 HG SER 21 HG SER 21 -10.352 -11.367 5.290
118 H GLU 22 H GLU 22 -7.731 -9.388 3.228
119 HA GLU 22 HA GLU 22 -9.562 -8.642 1.206
120 HB2 GLU 22 1HB GLU 22 -10.954 -8.832 3.424
121 HB3 GLU 22 2HB GLU 22 -10.215 -7.279 3.790
122 HG2 GLU 22 1HG GLU 22 -12.469 -7.153 2.735
123 HG3 GLU 22 2HG GLU 22 -11.204 -6.261 1.892
124 H GLU 23 H GLU 23 -8.946 -6.763 0.255
125 HA GLU 23 HA GLU 23 -6.437 -5.683 0.791
126 HB2 GLU 23 1HB GLU 23 -7.181 -5.310 -1.376
127 HB3 GLU 23 2HB GLU 23 -8.774 -4.787 -0.848
128 HG2 GLU 23 1HG GLU 23 -7.922 -2.674 -0.135
129 HG3 GLU 23 2HG GLU 23 -6.261 -3.196 -0.410
130 H ALA 24 H ALA 24 -9.567 -4.028 1.245
131 HA ALA 24 HA ALA 24 -8.821 -1.771 2.515
132 HB1 ALA 24 3HB ALA 24 -11.122 -3.451 3.494
133 HB2 ALA 24 1HB ALA 24 -10.957 -1.697 3.574
134 HB3 ALA 24 2HB ALA 24 -11.163 -2.493 2.014
135 H SER 25 H SER 25 -9.534 -4.798 4.271
136 HA SER 25 HA SER 25 -8.950 -4.110 6.817
137 HB2 SER 25 1HB SER 25 -8.269 -6.649 5.338
138 HB3 SER 25 2HB SER 25 -7.998 -6.473 7.071
139 HG SER 25 HG SER 25 -10.149 -7.316 6.109
140 H LEU 26 H LEU 26 -6.562 -4.965 4.338
141 HA LEU 26 HA LEU 26 -4.306 -4.654 6.040
142 HB2 LEU 26 1HB LEU 26 -4.071 -6.015 4.112
143 HB3 LEU 26 2HB LEU 26 -4.630 -4.723 3.051
144 HG LEU 26 HG LEU 26 -2.534 -3.469 3.629
145 HD11 LEU 26 1HD1 LEU 26 -2.271 -5.612 5.488
146 HD12 LEU 26 2HD1 LEU 26 -1.246 -4.192 5.279
147 HD13 LEU 26 3HD1 LEU 26 -0.914 -5.661 4.362
148 HD21 LEU 26 3HD2 LEU 26 -1.061 -5.106 2.287
149 HD22 LEU 26 1HD2 LEU 26 -2.516 -4.461 1.527
150 HD23 LEU 26 2HD2 LEU 26 -2.517 -6.096 2.188
151 H LYS 27 H LYS 27 -5.775 -2.571 3.562
152 HA LYS 27 HA LYS 27 -4.078 -0.457 3.488
153 HB2 LYS 27 1HB LYS 27 -7.096 -0.331 3.626
154 HB3 LYS 27 2HB LYS 27 -6.062 0.992 3.102
155 HG2 LYS 27 1HG LYS 27 -5.816 -1.636 1.732
156 HG3 LYS 27 2HG LYS 27 -7.208 -0.612 1.372
157 HD2 LYS 27 1HD LYS 27 -5.781 1.188 0.682
158 HD3 LYS 27 2HD LYS 27 -4.344 0.323 1.230
159 HE2 LYS 27 1HE LYS 27 -6.131 -0.919 -0.816
160 HE3 LYS 27 2HE LYS 27 -4.993 0.337 -1.302
161 HZ1 LYS 27 3HZ LYS 27 -4.372 -2.241 -1.214
162 HZ2 LYS 27 1HZ LYS 27 -3.910 -1.793 0.351
163 HZ3 LYS 27 2HZ LYS 27 -3.234 -1.010 -0.987
164 H ARG 28 H ARG 28 -6.553 -1.022 5.970
165 HA ARG 28 HA ARG 28 -5.944 1.327 7.455
166 HB2 ARG 28 1HB ARG 28 -8.079 -0.177 7.480
167 HB3 ARG 28 2HB ARG 28 -7.194 -1.105 8.685
168 HG2 ARG 28 1HG ARG 28 -7.284 0.570 10.246
169 HG3 ARG 28 2HG ARG 28 -7.433 1.841 9.031
170 HD2 ARG 28 1HD ARG 28 -9.720 0.777 8.512
171 HD3 ARG 28 2HD ARG 28 -9.532 -0.032 10.067
172 HE ARG 28 HE ARG 28 -9.074 2.598 10.616
173 HH11 ARG 28 1HH1 ARG 28 -11.669 0.817 9.129
174 HH12 ARG 28 2HH1 ARG 28 -12.898 1.923 9.645
175 HH21 ARG 28 1HH2 ARG 28 -10.683 4.062 11.301
176 HH22 ARG 28 2HH2 ARG 28 -12.336 3.769 10.879
177 H HIS 29 H HIS 29 -5.093 -2.098 7.860
178 HA HIS 29 HA HIS 29 -3.716 -2.002 10.233
179 HB2 HIS 29 1HB HIS 29 -3.885 -4.148 9.417
180 HB3 HIS 29 2HB HIS 29 -3.463 -3.672 7.775
181 HD1 HIS 29 1HD HIS 29 -2.057 -5.112 10.822
182 HD2 HIS 29 2HD HIS 29 -0.611 -3.224 7.415
183 HE1 HIS 29 1HE HIS 29 0.401 -5.639 10.753
184 H THR 30 H THR 30 -2.535 -1.159 7.008
185 HA THR 30 HA THR 30 0.150 -0.691 7.754
186 HB THR 30 HB THR 30 -1.382 0.539 5.454
187 HG1 THR 30 1HG THR 30 -0.116 -1.276 4.377
188 HG21 THR 30 3HG2 THR 30 0.614 1.229 4.557
189 HG22 THR 30 1HG2 THR 30 1.547 -0.006 5.400
190 HG23 THR 30 2HG2 THR 30 0.974 1.415 6.273
191 H LEU 31 H LEU 31 -2.661 1.450 7.484
192 HA LEU 31 HA LEU 31 -1.363 3.876 7.965
193 HB2 LEU 31 1HB LEU 31 -3.563 3.998 7.183
194 HB3 LEU 31 2HB LEU 31 -4.162 2.915 8.437
195 HG LEU 31 HG LEU 31 -3.515 4.840 10.055
196 HD11 LEU 31 1HD1 LEU 31 -2.997 6.023 7.463
197 HD12 LEU 31 2HD1 LEU 31 -2.589 6.609 9.076
198 HD13 LEU 31 3HD1 LEU 31 -4.177 6.950 8.390
199 HD21 LEU 31 3HD2 LEU 31 -5.874 4.764 8.202
200 HD22 LEU 31 1HD2 LEU 31 -5.740 5.974 9.479
201 HD23 LEU 31 2HD2 LEU 31 -5.771 4.259 9.890
202 H GLN 32 H GLN 32 -3.020 1.722 10.268
203 HA GLN 32 HA GLN 32 -2.273 3.240 12.553
204 HB2 GLN 32 1HB GLN 32 -3.186 0.365 12.346
205 HB3 GLN 32 2HB GLN 32 -3.073 1.290 13.838
206 HG2 GLN 32 1HG GLN 32 -4.667 2.941 12.610
207 HG3 GLN 32 2HG GLN 32 -5.019 1.543 11.595
208 HE21 GLN 32 1HE2 GLN 32 -6.964 0.884 12.208
209 HE22 GLN 32 2HE2 GLN 32 -7.441 0.533 13.830
210 H THR 33 H THR 33 -1.278 -0.067 11.654
211 HA THR 33 HA THR 33 0.848 -0.284 13.415
212 HB THR 33 HB THR 33 0.684 -1.533 10.665
213 HG1 THR 33 1HG THR 33 -0.659 -2.963 11.532
214 HG21 THR 33 3HG2 THR 33 2.267 -2.223 13.135
215 HG22 THR 33 1HG2 THR 33 2.884 -1.830 11.531
216 HG23 THR 33 2HG2 THR 33 2.022 -3.345 11.798
217 H HIS 34 H HIS 34 0.899 0.811 10.030
218 HA HIS 34 HA HIS 34 3.604 1.877 10.498
219 HB2 HIS 34 1HB HIS 34 2.372 1.413 7.789
220 HB3 HIS 34 2HB HIS 34 4.074 1.619 8.194
221 HD1 HIS 34 1HD HIS 34 4.690 -0.455 10.172
222 HD2 HIS 34 2HD HIS 34 2.004 -1.158 7.081
223 HE1 HIS 34 1HE HIS 34 4.609 -2.955 9.907
224 H SER 35 H SER 35 2.531 3.719 11.544
225 HA SER 35 HA SER 35 0.805 5.451 10.123
226 HB2 SER 35 1HB SER 35 0.823 5.636 12.497
227 HB3 SER 35 2HB SER 35 2.572 5.860 12.538
228 HG SER 35 HG SER 35 2.247 7.867 11.470
229 H ASP 36 H ASP 36 4.310 5.492 10.671
230 HA ASP 36 HA ASP 36 4.642 7.820 8.978
231 HB2 ASP 36 1HB ASP 36 6.570 6.082 10.514
232 HB3 ASP 36 2HB ASP 36 7.111 7.365 9.435
233 H LYS 37 H LYS 37 4.127 7.287 6.901
234 HA LYS 37 HA LYS 37 5.643 5.079 5.675
235 HB2 LYS 37 1HB LYS 37 3.897 4.945 3.990
236 HB3 LYS 37 2HB LYS 37 3.193 4.802 5.595
237 HG2 LYS 37 1HG LYS 37 3.305 7.497 4.353
238 HG3 LYS 37 2HG LYS 37 2.125 6.336 3.737
239 HD2 LYS 37 1HD LYS 37 2.337 6.688 6.683
240 HD3 LYS 37 2HD LYS 37 1.564 7.971 5.747
241 HE2 LYS 37 1HE LYS 37 0.796 5.060 5.594
242 HE3 LYS 37 2HE LYS 37 -0.007 6.241 6.626
243 HZ1 LYS 37 3HZ LYS 37 -0.673 7.480 4.705
244 HZ2 LYS 37 1HZ LYS 37 -1.146 5.869 4.489
245 HZ3 LYS 37 2HZ LYS 37 0.209 6.469 3.674
246 H SER 38 H SER 38 6.100 5.442 3.297
247 HA SER 38 HA SER 38 7.500 7.944 3.030
248 HB2 SER 38 1HB SER 38 8.435 7.008 1.015
249 HB3 SER 38 2HB SER 38 8.421 5.744 2.244
250 HG SER 38 HG SER 38 7.033 4.644 1.097
251 H GLY 39 H GLY 39 6.011 9.584 2.825
252 HA2 GLY 39 1HA GLY 39 5.206 10.817 0.751
253 HA3 GLY 39 2HA GLY 39 4.175 9.412 0.520
254 HA PRO 40 HA PRO 40 2.327 12.744 3.440
255 HB2 PRO 40 1HB PRO 40 0.856 14.174 1.662
256 HB3 PRO 40 2HB PRO 40 2.514 14.602 2.101
257 HG2 PRO 40 1HG PRO 40 1.511 13.131 -0.305
258 HG3 PRO 40 2HG PRO 40 2.744 14.402 -0.204
259 HD2 PRO 40 1HD PRO 40 3.372 11.776 -0.403
260 HD3 PRO 40 2HD PRO 40 4.381 12.934 0.487
261 H SER 41 H SER 41 0.758 11.555 0.460
262 HA SER 41 HA SER 41 -1.391 10.781 0.139
263 HB2 SER 41 1HB SER 41 -0.228 9.037 2.310
264 HB3 SER 41 2HB SER 41 -1.774 8.679 1.542
265 HG SER 41 HG SER 41 -0.288 9.045 -0.470
266 H SER 42 H SER 42 -1.519 13.079 1.673
267 HA SER 42 HA SER 42 -2.887 12.834 4.109
268 HB2 SER 42 1HB SER 42 -1.807 14.923 3.020
269 HB3 SER 42 2HB SER 42 -3.360 15.118 2.208
270 HG SER 42 HG SER 42 -3.399 14.687 4.960
271 H GLY 43 H GLY 43 -4.123 13.272 0.801
272 HA2 GLY 43 1HA GLY 43 -6.111 11.820 0.312
273 HA3 GLY 43 2HA GLY 43 -6.783 12.462 1.804
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.122 -36.327 2.941
2 HA2 GLY 1 1HA GLY 1 -1.542 -36.615 3.807
3 HA3 GLY 1 2HA GLY 1 -0.550 -35.178 4.013
4 H SER 2 H SER 2 -3.436 -35.943 3.028
5 HA SER 2 HA SER 2 -3.396 -34.137 0.698
6 HB2 SER 2 1HB SER 2 -5.010 -36.596 1.272
7 HB3 SER 2 2HB SER 2 -5.693 -35.333 0.248
8 HG SER 2 HG SER 2 -3.092 -36.154 -0.308
9 H SER 3 H SER 3 -3.911 -32.187 1.496
10 HA SER 3 HA SER 3 -6.390 -31.984 3.073
11 HB2 SER 3 1HB SER 3 -5.430 -30.168 4.366
12 HB3 SER 3 2HB SER 3 -4.374 -31.576 4.480
13 HG SER 3 HG SER 3 -3.856 -29.777 2.424
14 H GLY 4 H GLY 4 -7.658 -30.113 2.730
15 HA2 GLY 4 1HA GLY 4 -6.872 -28.281 0.608
16 HA3 GLY 4 2HA GLY 4 -8.253 -29.311 0.260
17 H SER 5 H SER 5 -7.092 -27.250 2.932
18 HA SER 5 HA SER 5 -9.846 -26.234 3.194
19 HB2 SER 5 1HB SER 5 -9.161 -27.443 5.188
20 HB3 SER 5 2HB SER 5 -7.682 -26.489 5.296
21 HG SER 5 HG SER 5 -10.324 -25.764 5.870
22 H SER 6 H SER 6 -6.525 -25.196 3.991
23 HA SER 6 HA SER 6 -7.025 -22.461 4.002
24 HB2 SER 6 1HB SER 6 -4.597 -22.178 3.723
25 HB3 SER 6 2HB SER 6 -4.957 -23.454 4.886
26 HG SER 6 HG SER 6 -3.587 -23.601 2.572
27 H GLY 7 H GLY 7 -7.407 -20.998 2.467
28 HA2 GLY 7 1HA GLY 7 -6.263 -20.960 -0.092
29 HA3 GLY 7 2HA GLY 7 -7.838 -21.729 -0.217
30 H ASN 8 H ASN 8 -6.652 -18.976 1.707
31 HA ASN 8 HA ASN 8 -8.109 -17.060 0.165
32 HB2 ASN 8 1HB ASN 8 -9.926 -18.189 1.495
33 HB3 ASN 8 2HB ASN 8 -9.144 -17.590 2.955
34 HD21 ASN 8 1HD2 ASN 8 -8.727 -15.186 2.942
35 HD22 ASN 8 2HD2 ASN 8 -9.998 -14.186 2.336
36 H GLY 9 H GLY 9 -7.219 -15.095 0.416
37 HA2 GLY 9 1HA GLY 9 -6.376 -13.347 1.881
38 HA3 GLY 9 2HA GLY 9 -5.628 -14.605 2.854
39 H ALA 10 H ALA 10 -5.536 -13.086 -0.347
40 HA ALA 10 HA ALA 10 -2.712 -13.886 -0.572
41 HB1 ALA 10 3HB ALA 10 -3.842 -14.720 -2.444
42 HB2 ALA 10 1HB ALA 10 -4.787 -13.244 -2.643
43 HB3 ALA 10 2HB ALA 10 -3.064 -13.246 -3.021
44 H PHE 11 H PHE 11 -3.398 -11.734 1.099
45 HA PHE 11 HA PHE 11 -2.277 -9.471 -0.419
46 HB2 PHE 11 1HB PHE 11 -4.286 -9.369 1.841
47 HB3 PHE 11 2HB PHE 11 -3.523 -7.962 1.108
48 HD1 PHE 11 1HD PHE 11 -5.739 -10.842 0.397
49 HD2 PHE 11 2HD PHE 11 -4.398 -6.994 -0.832
50 HE1 PHE 11 1HE PHE 11 -7.521 -10.766 -1.297
51 HE2 PHE 11 2HE PHE 11 -6.179 -6.912 -2.527
52 HZ PHE 11 HZ PHE 11 -7.744 -8.799 -2.761
53 H PHE 12 H PHE 12 -0.422 -8.676 0.329
54 HA PHE 12 HA PHE 12 0.333 -9.246 3.116
55 HB2 PHE 12 1HB PHE 12 2.657 -9.612 2.370
56 HB3 PHE 12 2HB PHE 12 1.550 -10.788 1.669
57 HD1 PHE 12 2HD PHE 12 0.945 -10.663 -0.703
58 HD2 PHE 12 1HD PHE 12 3.821 -8.036 1.012
59 HE1 PHE 12 2HE PHE 12 1.747 -10.078 -2.954
60 HE2 PHE 12 1HE PHE 12 4.628 -7.446 -1.237
61 HZ PHE 12 HZ PHE 12 3.591 -8.468 -3.223
62 H CYS 13 H CYS 13 1.437 -7.650 4.195
63 HA CYS 13 HA CYS 13 1.030 -4.995 3.407
64 HB2 CYS 13 1HB CYS 13 1.568 -6.086 5.754
65 HB3 CYS 13 2HB CYS 13 3.224 -5.668 5.323
66 H ASN 14 H ASN 14 2.725 -3.332 3.104
67 HA ASN 14 HA ASN 14 4.508 -4.138 0.994
68 HB2 ASN 14 1HB ASN 14 3.932 -1.473 2.293
69 HB3 ASN 14 2HB ASN 14 5.114 -1.674 1.003
70 HD21 ASN 14 1HD2 ASN 14 1.721 -2.203 1.813
71 HD22 ASN 14 2HD2 ASN 14 1.119 -1.981 0.208
72 H GLU 15 H GLU 15 4.984 -2.477 4.117
73 HA GLU 15 HA GLU 15 7.826 -2.871 4.030
74 HB2 GLU 15 1HB GLU 15 7.803 -1.879 6.289
75 HB3 GLU 15 2HB GLU 15 6.922 -0.902 5.122
76 HG2 GLU 15 1HG GLU 15 4.813 -1.766 5.959
77 HG3 GLU 15 2HG GLU 15 5.675 -2.796 7.101
78 H CYS 16 H CYS 16 5.155 -4.223 5.942
79 HA CYS 16 HA CYS 16 6.974 -6.285 6.967
80 HB2 CYS 16 1HB CYS 16 5.583 -6.529 8.795
81 HB3 CYS 16 2HB CYS 16 5.348 -4.823 8.428
82 H ASP 17 H ASP 17 5.456 -8.386 7.466
83 HA ASP 17 HA ASP 17 4.120 -9.081 4.938
84 HB2 ASP 17 1HB ASP 17 6.374 -10.043 4.916
85 HB3 ASP 17 2HB ASP 17 6.069 -10.818 6.468
86 H CYS 18 H CYS 18 2.113 -8.757 5.976
87 HA CYS 18 HA CYS 18 1.445 -10.816 7.977
88 HB2 CYS 18 1HB CYS 18 1.357 -8.421 8.778
89 HB3 CYS 18 2HB CYS 18 0.043 -8.162 7.637
90 HG CYS 18 HG CYS 18 -0.793 -10.782 9.331
91 H ARG 19 H ARG 19 -0.547 -11.877 7.787
92 HA ARG 19 HA ARG 19 -1.538 -12.018 5.058
93 HB2 ARG 19 1HB ARG 19 -1.090 -14.128 6.095
94 HB3 ARG 19 2HB ARG 19 -2.038 -13.699 7.513
95 HG2 ARG 19 1HG ARG 19 -3.539 -15.030 6.457
96 HG3 ARG 19 2HG ARG 19 -3.963 -13.487 5.712
97 HD2 ARG 19 1HD ARG 19 -3.784 -15.228 4.026
98 HD3 ARG 19 2HD ARG 19 -2.519 -14.020 3.805
99 HE ARG 19 HE ARG 19 -1.250 -15.853 5.273
100 HH11 ARG 19 1HH1 ARG 19 -3.269 -16.169 2.454
101 HH12 ARG 19 2HH1 ARG 19 -2.456 -17.584 1.870
102 HH21 ARG 19 1HH2 ARG 19 -0.172 -17.714 4.514
103 HH22 ARG 19 2HH2 ARG 19 -0.695 -18.462 3.044
104 H PHE 20 H PHE 20 -3.552 -11.453 4.390
105 HA PHE 20 HA PHE 20 -5.479 -10.511 6.386
106 HB2 PHE 20 1HB PHE 20 -4.702 -8.931 3.925
107 HB3 PHE 20 2HB PHE 20 -5.930 -8.480 5.104
108 HD1 PHE 20 2HD PHE 20 -5.311 -7.645 7.289
109 HD2 PHE 20 1HD PHE 20 -2.352 -8.719 4.425
110 HE1 PHE 20 2HE PHE 20 -3.608 -6.454 8.607
111 HE2 PHE 20 1HE PHE 20 -0.644 -7.531 5.738
112 HZ PHE 20 HZ PHE 20 -1.271 -6.395 7.832
113 H SER 21 H SER 21 -7.655 -10.099 5.372
114 HA SER 21 HA SER 21 -8.198 -12.241 3.444
115 HB2 SER 21 1HB SER 21 -10.559 -12.012 4.205
116 HB3 SER 21 2HB SER 21 -9.450 -12.401 5.520
117 HG SER 21 HG SER 21 -10.732 -9.961 4.937
118 H GLU 22 H GLU 22 -8.859 -8.817 4.051
119 HA GLU 22 HA GLU 22 -9.502 -8.524 1.193
120 HB2 GLU 22 1HB GLU 22 -10.831 -7.064 3.482
121 HB3 GLU 22 2HB GLU 22 -11.145 -6.793 1.774
122 HG2 GLU 22 1HG GLU 22 -11.571 -9.452 3.099
123 HG3 GLU 22 2HG GLU 22 -12.818 -8.209 3.020
124 H GLU 23 H GLU 23 -9.044 -6.419 0.292
125 HA GLU 23 HA GLU 23 -6.517 -5.439 0.985
126 HB2 GLU 23 1HB GLU 23 -6.962 -3.638 -0.616
127 HB3 GLU 23 2HB GLU 23 -7.456 -5.198 -1.259
128 HG2 GLU 23 1HG GLU 23 -9.793 -4.567 -0.370
129 HG3 GLU 23 2HG GLU 23 -9.152 -2.926 -0.316
130 H ALA 24 H ALA 24 -9.742 -4.367 1.876
131 HA ALA 24 HA ALA 24 -9.202 -1.867 2.928
132 HB1 ALA 24 3HB ALA 24 -11.188 -2.159 4.302
133 HB2 ALA 24 1HB ALA 24 -11.460 -2.782 2.674
134 HB3 ALA 24 2HB ALA 24 -11.154 -3.898 4.006
135 H SER 25 H SER 25 -9.121 -4.999 4.625
136 HA SER 25 HA SER 25 -8.334 -4.036 7.122
137 HB2 SER 25 1HB SER 25 -9.050 -6.444 6.304
138 HB3 SER 25 2HB SER 25 -7.308 -6.679 6.165
139 HG SER 25 HG SER 25 -7.357 -7.020 8.229
140 H LEU 26 H LEU 26 -6.365 -5.142 4.386
141 HA LEU 26 HA LEU 26 -3.860 -4.864 5.623
142 HB2 LEU 26 1HB LEU 26 -3.881 -6.113 3.659
143 HB3 LEU 26 2HB LEU 26 -4.784 -4.883 2.777
144 HG LEU 26 HG LEU 26 -2.600 -3.473 3.105
145 HD11 LEU 26 1HD1 LEU 26 -0.794 -5.505 2.735
146 HD12 LEU 26 2HD1 LEU 26 -1.828 -6.129 4.020
147 HD13 LEU 26 3HD1 LEU 26 -1.014 -4.577 4.219
148 HD21 LEU 26 3HD2 LEU 26 -2.472 -5.735 1.138
149 HD22 LEU 26 1HD2 LEU 26 -1.945 -4.064 0.942
150 HD23 LEU 26 2HD2 LEU 26 -3.666 -4.445 0.989
151 H LYS 27 H LYS 27 -5.743 -2.606 3.639
152 HA LYS 27 HA LYS 27 -3.891 -0.528 3.510
153 HB2 LYS 27 1HB LYS 27 -6.906 -0.521 3.498
154 HB3 LYS 27 2HB LYS 27 -5.959 0.943 3.269
155 HG2 LYS 27 1HG LYS 27 -5.153 0.260 1.214
156 HG3 LYS 27 2HG LYS 27 -5.460 -1.446 1.547
157 HD2 LYS 27 1HD LYS 27 -7.174 -0.976 0.090
158 HD3 LYS 27 2HD LYS 27 -7.961 -0.656 1.638
159 HE2 LYS 27 1HE LYS 27 -8.536 1.245 0.510
160 HE3 LYS 27 2HE LYS 27 -7.010 1.771 1.219
161 HZ1 LYS 27 3HZ LYS 27 -7.037 2.375 -1.074
162 HZ2 LYS 27 1HZ LYS 27 -7.448 0.806 -1.553
163 HZ3 LYS 27 2HZ LYS 27 -5.924 1.115 -0.890
164 H ARG 28 H ARG 28 -6.561 -0.966 5.833
165 HA ARG 28 HA ARG 28 -5.861 1.256 7.436
166 HB2 ARG 28 1HB ARG 28 -8.081 -0.091 7.320
167 HB3 ARG 28 2HB ARG 28 -7.317 -1.141 8.506
168 HG2 ARG 28 1HG ARG 28 -6.911 1.002 9.852
169 HG3 ARG 28 2HG ARG 28 -8.099 1.736 8.773
170 HD2 ARG 28 1HD ARG 28 -9.688 -0.075 9.398
171 HD3 ARG 28 2HD ARG 28 -8.507 -0.644 10.578
172 HE ARG 28 HE ARG 28 -9.138 1.057 11.966
173 HH11 ARG 28 1HH1 ARG 28 -10.235 1.768 8.739
174 HH12 ARG 28 2HH1 ARG 28 -11.150 3.159 9.216
175 HH21 ARG 28 1HH2 ARG 28 -10.340 2.887 12.607
176 HH22 ARG 28 2HH2 ARG 28 -11.209 3.796 11.416
177 H HIS 29 H HIS 29 -4.702 -1.997 7.274
178 HA HIS 29 HA HIS 29 -3.616 -2.191 9.883
179 HB2 HIS 29 1HB HIS 29 -3.787 -4.258 8.857
180 HB3 HIS 29 2HB HIS 29 -3.218 -3.652 7.305
181 HD1 HIS 29 1HD HIS 29 -2.066 -5.217 10.442
182 HD2 HIS 29 2HD HIS 29 -0.374 -3.398 7.111
183 HE1 HIS 29 1HE HIS 29 0.372 -5.830 10.507
184 H THR 30 H THR 30 -2.422 -0.875 6.861
185 HA THR 30 HA THR 30 0.259 -0.491 7.851
186 HB THR 30 HB THR 30 -1.035 0.641 5.363
187 HG1 THR 30 1HG THR 30 0.394 -1.158 4.481
188 HG21 THR 30 3HG2 THR 30 1.105 1.712 6.315
189 HG22 THR 30 1HG2 THR 30 1.104 1.229 4.619
190 HG23 THR 30 2HG2 THR 30 1.902 0.218 5.824
191 H LEU 31 H LEU 31 -2.636 1.460 7.407
192 HA LEU 31 HA LEU 31 -1.360 3.940 8.055
193 HB2 LEU 31 1HB LEU 31 -3.423 4.928 7.763
194 HB3 LEU 31 2HB LEU 31 -3.520 3.521 6.706
195 HG LEU 31 HG LEU 31 -4.724 2.371 8.650
196 HD11 LEU 31 1HD1 LEU 31 -6.006 4.372 9.891
197 HD12 LEU 31 2HD1 LEU 31 -4.423 5.119 9.681
198 HD13 LEU 31 3HD1 LEU 31 -4.567 3.588 10.544
199 HD21 LEU 31 3HD2 LEU 31 -6.027 4.703 7.248
200 HD22 LEU 31 1HD2 LEU 31 -6.870 3.350 8.002
201 HD23 LEU 31 2HD2 LEU 31 -5.837 3.074 6.599
202 H GLN 32 H GLN 32 -3.086 1.462 9.830
203 HA GLN 32 HA GLN 32 -3.182 3.040 12.256
204 HB2 GLN 32 1HB GLN 32 -4.946 1.348 11.541
205 HB3 GLN 32 2HB GLN 32 -3.790 0.099 11.985
206 HG2 GLN 32 1HG GLN 32 -5.430 0.547 13.751
207 HG3 GLN 32 2HG GLN 32 -3.773 0.857 14.268
208 HE21 GLN 32 1HE2 GLN 32 -6.664 2.451 13.011
209 HE22 GLN 32 2HE2 GLN 32 -6.408 3.951 13.827
210 H THR 33 H THR 33 -1.765 -0.129 11.427
211 HA THR 33 HA THR 33 -0.116 -0.267 13.708
212 HB THR 33 HB THR 33 0.514 -1.638 11.099
213 HG1 THR 33 1HG THR 33 -1.231 -2.728 13.040
214 HG21 THR 33 3HG2 THR 33 0.691 -2.946 13.759
215 HG22 THR 33 1HG2 THR 33 1.890 -1.711 13.380
216 HG23 THR 33 2HG2 THR 33 1.722 -3.124 12.340
217 H HIS 34 H HIS 34 0.690 0.533 10.327
218 HA HIS 34 HA HIS 34 3.250 1.627 11.243
219 HB2 HIS 34 1HB HIS 34 2.368 1.236 8.383
220 HB3 HIS 34 2HB HIS 34 4.006 1.470 8.985
221 HD1 HIS 34 1HD HIS 34 4.510 -0.613 10.941
222 HD2 HIS 34 2HD HIS 34 2.062 -1.337 7.663
223 HE1 HIS 34 1HE HIS 34 4.494 -3.112 10.653
224 H SER 35 H SER 35 3.986 3.613 9.948
225 HA SER 35 HA SER 35 1.921 5.637 10.261
226 HB2 SER 35 1HB SER 35 4.423 5.743 11.067
227 HB3 SER 35 2HB SER 35 4.723 6.272 9.411
228 HG SER 35 HG SER 35 4.120 8.157 10.095
229 H ASP 36 H ASP 36 0.689 6.187 8.602
230 HA ASP 36 HA ASP 36 0.803 5.378 6.023
231 HB2 ASP 36 1HB ASP 36 -0.726 7.074 5.477
232 HB3 ASP 36 2HB ASP 36 -0.971 6.825 7.203
233 H LYS 37 H LYS 37 2.067 5.683 4.309
234 HA LYS 37 HA LYS 37 4.299 7.526 4.519
235 HB2 LYS 37 1HB LYS 37 3.572 5.278 2.675
236 HB3 LYS 37 2HB LYS 37 4.800 6.440 2.190
237 HG2 LYS 37 1HG LYS 37 6.032 4.737 3.155
238 HG3 LYS 37 2HG LYS 37 5.888 5.913 4.463
239 HD2 LYS 37 1HD LYS 37 5.377 3.920 5.527
240 HD3 LYS 37 2HD LYS 37 3.779 4.547 5.116
241 HE2 LYS 37 1HE LYS 37 3.839 2.219 4.559
242 HE3 LYS 37 2HE LYS 37 3.832 3.146 3.059
243 HZ1 LYS 37 3HZ LYS 37 5.719 1.260 3.944
244 HZ2 LYS 37 1HZ LYS 37 6.490 2.758 3.786
245 HZ3 LYS 37 2HZ LYS 37 5.667 2.087 2.469
246 H SER 38 H SER 38 1.874 6.807 1.998
247 HA SER 38 HA SER 38 2.191 9.551 1.009
248 HB2 SER 38 1HB SER 38 2.469 7.617 -0.580
249 HB3 SER 38 2HB SER 38 0.760 7.253 -0.341
250 HG SER 38 HG SER 38 1.717 9.771 -1.223
251 H GLY 39 H GLY 39 0.596 11.017 1.144
252 HA2 GLY 39 1HA GLY 39 -2.163 10.239 1.469
253 HA3 GLY 39 2HA GLY 39 -1.451 10.928 2.921
254 HA PRO 40 HA PRO 40 -3.066 14.242 -0.062
255 HB2 PRO 40 1HB PRO 40 -5.195 15.050 1.415
256 HB3 PRO 40 2HB PRO 40 -5.301 13.776 0.194
257 HG2 PRO 40 1HG PRO 40 -5.043 13.534 3.167
258 HG3 PRO 40 2HG PRO 40 -6.079 12.619 2.056
259 HD2 PRO 40 1HD PRO 40 -3.750 11.632 3.023
260 HD3 PRO 40 2HD PRO 40 -4.364 11.222 1.409
261 H SER 41 H SER 41 -2.494 13.966 3.366
262 HA SER 41 HA SER 41 -1.857 16.837 3.499
263 HB2 SER 41 1HB SER 41 -2.064 16.584 5.961
264 HB3 SER 41 2HB SER 41 -3.555 16.173 5.114
265 HG SER 41 HG SER 41 -1.892 14.592 6.622
266 H SER 42 H SER 42 -0.033 15.144 2.270
267 HA SER 42 HA SER 42 1.940 14.076 3.953
268 HB2 SER 42 1HB SER 42 3.442 14.333 1.937
269 HB3 SER 42 2HB SER 42 1.938 13.462 1.636
270 HG SER 42 HG SER 42 2.840 15.684 0.462
271 H GLY 43 H GLY 43 1.989 17.180 2.183
272 HA2 GLY 43 1HA GLY 43 3.428 18.987 2.486
273 HA3 GLY 43 2HA GLY 43 2.649 18.957 4.061
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -10.473 -27.046 -2.445
2 HA2 GLY 1 1HA GLY 1 -12.766 -28.445 -2.416
3 HA3 GLY 1 2HA GLY 1 -13.278 -26.916 -1.718
4 H SER 2 H SER 2 -13.919 -28.311 -4.301
5 HA SER 2 HA SER 2 -12.797 -26.598 -6.337
6 HB2 SER 2 1HB SER 2 -14.326 -27.848 -7.861
7 HB3 SER 2 2HB SER 2 -13.276 -28.904 -6.917
8 HG SER 2 HG SER 2 -16.026 -28.575 -6.816
9 H SER 3 H SER 3 -14.038 -25.063 -4.412
10 HA SER 3 HA SER 3 -16.710 -24.382 -5.238
11 HB2 SER 3 1HB SER 3 -14.801 -23.013 -3.329
12 HB3 SER 3 2HB SER 3 -16.482 -22.542 -3.576
13 HG SER 3 HG SER 3 -16.333 -23.913 -1.797
14 H GLY 4 H GLY 4 -16.708 -23.671 -7.335
15 HA2 GLY 4 1HA GLY 4 -16.175 -22.356 -9.166
16 HA3 GLY 4 2HA GLY 4 -16.444 -21.072 -7.998
17 H SER 5 H SER 5 -14.876 -19.621 -8.042
18 HA SER 5 HA SER 5 -12.099 -20.521 -8.018
19 HB2 SER 5 1HB SER 5 -12.512 -20.141 -10.379
20 HB3 SER 5 2HB SER 5 -13.207 -18.556 -10.038
21 HG SER 5 HG SER 5 -11.099 -18.007 -9.156
22 H SER 6 H SER 6 -10.862 -19.351 -6.678
23 HA SER 6 HA SER 6 -12.040 -17.391 -5.005
24 HB2 SER 6 1HB SER 6 -9.771 -17.161 -4.044
25 HB3 SER 6 2HB SER 6 -10.255 -18.850 -4.194
26 HG SER 6 HG SER 6 -9.068 -18.786 -6.255
27 H GLY 7 H GLY 7 -9.528 -17.169 -7.523
28 HA2 GLY 7 1HA GLY 7 -9.319 -15.408 -9.071
29 HA3 GLY 7 2HA GLY 7 -10.389 -14.434 -8.075
30 H ASN 8 H ASN 8 -9.545 -13.105 -6.527
31 HA ASN 8 HA ASN 8 -6.805 -12.386 -6.791
32 HB2 ASN 8 1HB ASN 8 -8.854 -10.917 -6.137
33 HB3 ASN 8 2HB ASN 8 -8.530 -11.487 -4.502
34 HD21 ASN 8 1HD2 ASN 8 -7.711 -9.270 -6.908
35 HD22 ASN 8 2HD2 ASN 8 -6.337 -8.562 -6.134
36 H GLY 9 H GLY 9 -5.439 -12.055 -4.740
37 HA2 GLY 9 1HA GLY 9 -5.438 -14.614 -3.278
38 HA3 GLY 9 2HA GLY 9 -4.020 -13.618 -3.574
39 H ALA 10 H ALA 10 -3.481 -13.599 -1.372
40 HA ALA 10 HA ALA 10 -5.342 -12.145 0.383
41 HB1 ALA 10 3HB ALA 10 -4.189 -14.512 0.879
42 HB2 ALA 10 1HB ALA 10 -2.956 -13.440 1.545
43 HB3 ALA 10 2HB ALA 10 -4.613 -13.360 2.145
44 H PHE 11 H PHE 11 -4.883 -10.028 -0.067
45 HA PHE 11 HA PHE 11 -2.673 -8.716 -0.754
46 HB2 PHE 11 1HB PHE 11 -4.100 -7.583 1.615
47 HB3 PHE 11 2HB PHE 11 -3.576 -6.782 0.138
48 HD1 PHE 11 1HD PHE 11 -6.130 -9.005 1.593
49 HD2 PHE 11 2HD PHE 11 -5.003 -6.611 -1.740
50 HE1 PHE 11 1HE PHE 11 -8.409 -9.200 0.687
51 HE2 PHE 11 2HE PHE 11 -7.280 -6.801 -2.652
52 HZ PHE 11 HZ PHE 11 -8.987 -8.096 -1.438
53 H PHE 12 H PHE 12 -0.627 -8.972 -0.166
54 HA PHE 12 HA PHE 12 -0.006 -9.506 2.653
55 HB2 PHE 12 1HB PHE 12 1.062 -11.176 1.478
56 HB3 PHE 12 2HB PHE 12 1.338 -10.156 0.070
57 HD1 PHE 12 2HD PHE 12 3.248 -8.664 -0.032
58 HD2 PHE 12 1HD PHE 12 2.600 -11.194 3.329
59 HE1 PHE 12 2HE PHE 12 5.564 -8.276 0.702
60 HE2 PHE 12 1HE PHE 12 4.915 -10.810 4.069
61 HZ PHE 12 HZ PHE 12 6.401 -9.351 2.755
62 H CYS 13 H CYS 13 0.832 -7.954 3.871
63 HA CYS 13 HA CYS 13 1.381 -5.367 2.838
64 HB2 CYS 13 1HB CYS 13 0.522 -5.763 5.124
65 HB3 CYS 13 2HB CYS 13 2.056 -6.513 5.555
66 H ASN 14 H ASN 14 3.269 -4.371 2.350
67 HA ASN 14 HA ASN 14 5.593 -6.054 1.982
68 HB2 ASN 14 1HB ASN 14 5.076 -3.155 1.290
69 HB3 ASN 14 2HB ASN 14 6.555 -4.024 0.888
70 HD21 ASN 14 1HD2 ASN 14 4.271 -2.794 -0.688
71 HD22 ASN 14 2HD2 ASN 14 3.827 -4.034 -1.807
72 H GLU 15 H GLU 15 4.844 -3.033 3.710
73 HA GLU 15 HA GLU 15 7.234 -2.441 4.860
74 HB2 GLU 15 1HB GLU 15 4.425 -2.214 5.867
75 HB3 GLU 15 2HB GLU 15 5.758 -1.794 6.933
76 HG2 GLU 15 1HG GLU 15 5.481 -0.610 4.193
77 HG3 GLU 15 2HG GLU 15 4.682 0.083 5.603
78 H CYS 16 H CYS 16 4.932 -4.893 5.958
79 HA CYS 16 HA CYS 16 7.088 -6.092 7.554
80 HB2 CYS 16 1HB CYS 16 5.587 -6.558 9.382
81 HB3 CYS 16 2HB CYS 16 5.518 -4.833 9.033
82 H ASP 17 H ASP 17 6.383 -8.383 8.273
83 HA ASP 17 HA ASP 17 5.485 -9.764 5.867
84 HB2 ASP 17 1HB ASP 17 6.379 -11.778 6.914
85 HB3 ASP 17 2HB ASP 17 7.578 -10.489 6.953
86 H CYS 18 H CYS 18 3.246 -9.187 6.088
87 HA CYS 18 HA CYS 18 1.817 -11.059 7.808
88 HB2 CYS 18 1HB CYS 18 1.422 -8.069 7.844
89 HB3 CYS 18 2HB CYS 18 0.183 -9.189 8.396
90 HG CYS 18 HG CYS 18 3.160 -8.428 9.829
91 H ARG 19 H ARG 19 -0.133 -11.747 6.984
92 HA ARG 19 HA ARG 19 -0.747 -10.807 4.262
93 HB2 ARG 19 1HB ARG 19 -0.828 -13.492 5.556
94 HB3 ARG 19 2HB ARG 19 -2.012 -13.143 4.303
95 HG2 ARG 19 1HG ARG 19 0.026 -12.401 2.904
96 HG3 ARG 19 2HG ARG 19 0.964 -13.311 4.090
97 HD2 ARG 19 1HD ARG 19 -1.413 -14.617 2.872
98 HD3 ARG 19 2HD ARG 19 0.035 -14.436 1.882
99 HE ARG 19 HE ARG 19 -0.318 -16.185 4.150
100 HH11 ARG 19 1HH1 ARG 19 1.955 -14.563 2.070
101 HH12 ARG 19 2HH1 ARG 19 3.249 -15.665 2.407
102 HH21 ARG 19 1HH2 ARG 19 1.378 -17.642 4.601
103 HH22 ARG 19 2HH2 ARG 19 2.919 -17.416 3.846
104 H PHE 20 H PHE 20 -2.973 -10.697 3.624
105 HA PHE 20 HA PHE 20 -4.964 -10.714 5.753
106 HB2 PHE 20 1HB PHE 20 -4.480 -8.275 4.030
107 HB3 PHE 20 2HB PHE 20 -5.747 -8.458 5.239
108 HD1 PHE 20 2HD PHE 20 -4.970 -8.916 7.660
109 HD2 PHE 20 1HD PHE 20 -2.454 -7.333 4.614
110 HE1 PHE 20 2HE PHE 20 -3.458 -8.017 9.380
111 HE2 PHE 20 1HE PHE 20 -0.938 -6.432 6.329
112 HZ PHE 20 HZ PHE 20 -1.439 -6.773 8.716
113 H SER 21 H SER 21 -7.074 -10.987 5.036
114 HA SER 21 HA SER 21 -7.319 -11.684 2.187
115 HB2 SER 21 1HB SER 21 -8.945 -13.308 2.770
116 HB3 SER 21 2HB SER 21 -7.669 -13.480 3.975
117 HG SER 21 HG SER 21 -9.361 -13.332 5.258
118 H GLU 22 H GLU 22 -7.563 -8.997 3.073
119 HA GLU 22 HA GLU 22 -10.018 -8.295 1.852
120 HB2 GLU 22 1HB GLU 22 -10.840 -9.005 4.107
121 HB3 GLU 22 2HB GLU 22 -9.870 -7.722 4.815
122 HG2 GLU 22 1HG GLU 22 -12.225 -7.098 4.579
123 HG3 GLU 22 2HG GLU 22 -11.155 -6.047 3.653
124 H GLU 23 H GLU 23 -9.475 -6.537 0.759
125 HA GLU 23 HA GLU 23 -7.202 -5.054 0.979
126 HB2 GLU 23 1HB GLU 23 -9.087 -4.979 -0.797
127 HB3 GLU 23 2HB GLU 23 -9.780 -3.717 0.210
128 HG2 GLU 23 1HG GLU 23 -7.902 -2.310 -0.103
129 HG3 GLU 23 2HG GLU 23 -6.970 -3.610 -0.843
130 H ALA 24 H ALA 24 -10.353 -4.164 2.388
131 HA ALA 24 HA ALA 24 -9.708 -1.819 3.635
132 HB1 ALA 24 3HB ALA 24 -11.773 -3.772 3.868
133 HB2 ALA 24 1HB ALA 24 -11.298 -3.243 5.483
134 HB3 ALA 24 2HB ALA 24 -11.815 -2.058 4.282
135 H SER 25 H SER 25 -9.272 -5.089 4.971
136 HA SER 25 HA SER 25 -8.219 -4.363 7.444
137 HB2 SER 25 1HB SER 25 -7.617 -6.805 5.758
138 HB3 SER 25 2HB SER 25 -7.194 -6.632 7.461
139 HG SER 25 HG SER 25 -9.241 -7.742 6.941
140 H LEU 26 H LEU 26 -6.535 -5.021 4.387
141 HA LEU 26 HA LEU 26 -3.926 -4.624 5.369
142 HB2 LEU 26 1HB LEU 26 -4.158 -5.759 3.319
143 HB3 LEU 26 2HB LEU 26 -5.133 -4.465 2.625
144 HG LEU 26 HG LEU 26 -3.008 -3.036 2.794
145 HD11 LEU 26 1HD1 LEU 26 -1.859 -5.795 3.163
146 HD12 LEU 26 2HD1 LEU 26 -1.675 -4.400 4.225
147 HD13 LEU 26 3HD1 LEU 26 -0.921 -4.399 2.632
148 HD21 LEU 26 3HD2 LEU 26 -2.398 -5.106 0.828
149 HD22 LEU 26 1HD2 LEU 26 -2.781 -3.399 0.601
150 HD23 LEU 26 2HD2 LEU 26 -4.081 -4.575 0.797
151 H LYS 27 H LYS 27 -5.951 -2.435 3.408
152 HA LYS 27 HA LYS 27 -4.324 -0.211 3.443
153 HB2 LYS 27 1HB LYS 27 -7.298 -0.557 3.308
154 HB3 LYS 27 2HB LYS 27 -6.612 1.059 3.396
155 HG2 LYS 27 1HG LYS 27 -5.588 0.878 1.326
156 HG3 LYS 27 2HG LYS 27 -5.642 -0.886 1.344
157 HD2 LYS 27 1HD LYS 27 -7.289 -0.220 -0.205
158 HD3 LYS 27 2HD LYS 27 -8.172 -0.661 1.259
159 HE2 LYS 27 1HE LYS 27 -9.117 1.367 0.454
160 HE3 LYS 27 2HE LYS 27 -8.161 1.771 1.879
161 HZ1 LYS 27 3HZ LYS 27 -6.319 2.280 0.209
162 HZ2 LYS 27 1HZ LYS 27 -7.594 3.386 0.330
163 HZ3 LYS 27 2HZ LYS 27 -7.542 2.295 -0.960
164 H ARG 28 H ARG 28 -6.873 -1.048 5.785
165 HA ARG 28 HA ARG 28 -6.526 1.172 7.461
166 HB2 ARG 28 1HB ARG 28 -8.480 -0.343 7.540
167 HB3 ARG 28 2HB ARG 28 -7.457 -1.603 8.218
168 HG2 ARG 28 1HG ARG 28 -7.565 1.014 9.616
169 HG3 ARG 28 2HG ARG 28 -8.956 -0.064 9.740
170 HD2 ARG 28 1HD ARG 28 -6.116 -0.863 10.358
171 HD3 ARG 28 2HD ARG 28 -7.289 -0.342 11.567
172 HE ARG 28 HE ARG 28 -8.452 -2.422 10.146
173 HH11 ARG 28 1HH1 ARG 28 -5.709 -1.922 12.230
174 HH12 ARG 28 2HH1 ARG 28 -5.711 -3.544 12.840
175 HH21 ARG 28 1HH2 ARG 28 -8.466 -4.560 10.941
176 HH22 ARG 28 2HH2 ARG 28 -7.279 -5.044 12.105
177 H HIS 29 H HIS 29 -5.109 -2.081 7.615
178 HA HIS 29 HA HIS 29 -3.671 -1.772 9.985
179 HB2 HIS 29 1HB HIS 29 -3.699 -3.964 9.278
180 HB3 HIS 29 2HB HIS 29 -3.424 -3.537 7.592
181 HD1 HIS 29 1HD HIS 29 -1.674 -4.495 10.701
182 HD2 HIS 29 2HD HIS 29 -0.686 -3.062 6.928
183 HE1 HIS 29 1HE HIS 29 0.804 -4.860 10.470
184 H THR 30 H THR 30 -2.623 -1.218 6.630
185 HA THR 30 HA THR 30 -0.010 -0.403 7.196
186 HB THR 30 HB THR 30 -1.737 0.570 4.912
187 HG1 THR 30 1HG THR 30 0.087 -1.556 4.682
188 HG21 THR 30 3HG2 THR 30 0.679 0.458 3.850
189 HG22 THR 30 1HG2 THR 30 1.176 0.687 5.525
190 HG23 THR 30 2HG2 THR 30 0.139 1.880 4.742
191 H LEU 31 H LEU 31 -3.031 1.282 7.477
192 HA LEU 31 HA LEU 31 -1.815 3.897 7.658
193 HB2 LEU 31 1HB LEU 31 -4.620 2.896 8.084
194 HB3 LEU 31 2HB LEU 31 -4.152 4.577 8.332
195 HG LEU 31 HG LEU 31 -3.699 3.222 5.695
196 HD11 LEU 31 1HD1 LEU 31 -5.858 4.086 4.946
197 HD12 LEU 31 2HD1 LEU 31 -6.224 4.604 6.591
198 HD13 LEU 31 3HD1 LEU 31 -6.051 2.888 6.225
199 HD21 LEU 31 3HD2 LEU 31 -4.456 5.941 5.516
200 HD22 LEU 31 1HD2 LEU 31 -2.886 5.216 5.168
201 HD23 LEU 31 2HD2 LEU 31 -3.242 5.811 6.790
202 H GLN 32 H GLN 32 -3.279 1.546 9.863
203 HA GLN 32 HA GLN 32 -2.761 3.209 12.172
204 HB2 GLN 32 1HB GLN 32 -3.805 0.384 11.924
205 HB3 GLN 32 2HB GLN 32 -3.656 1.257 13.443
206 HG2 GLN 32 1HG GLN 32 -5.229 2.441 11.203
207 HG3 GLN 32 2HG GLN 32 -5.934 1.170 12.202
208 HE21 GLN 32 1HE2 GLN 32 -6.992 1.810 13.931
209 HE22 GLN 32 2HE2 GLN 32 -6.800 3.324 14.742
210 H THR 33 H THR 33 -1.751 -0.078 11.216
211 HA THR 33 HA THR 33 0.208 -0.436 13.145
212 HB THR 33 HB THR 33 0.178 -1.521 10.322
213 HG1 THR 33 1HG THR 33 -0.976 -2.345 12.768
214 HG21 THR 33 3HG2 THR 33 1.428 -3.383 11.885
215 HG22 THR 33 1HG2 THR 33 2.037 -1.874 12.561
216 HG23 THR 33 2HG2 THR 33 2.250 -2.221 10.845
217 H HIS 34 H HIS 34 0.542 0.895 9.866
218 HA HIS 34 HA HIS 34 3.228 1.847 10.602
219 HB2 HIS 34 1HB HIS 34 2.109 1.580 7.809
220 HB3 HIS 34 2HB HIS 34 3.785 1.867 8.268
221 HD1 HIS 34 1HD HIS 34 4.503 -0.286 10.118
222 HD2 HIS 34 2HD HIS 34 1.913 -0.960 6.939
223 HE1 HIS 34 1HE HIS 34 4.587 -2.764 9.696
224 H SER 35 H SER 35 3.624 3.971 10.701
225 HA SER 35 HA SER 35 1.833 5.854 9.375
226 HB2 SER 35 1HB SER 35 2.160 5.584 12.339
227 HB3 SER 35 2HB SER 35 1.913 7.187 11.647
228 HG SER 35 HG SER 35 -0.094 6.394 12.069
229 H ASP 36 H ASP 36 2.690 8.204 10.028
230 HA ASP 36 HA ASP 36 5.476 8.466 10.515
231 HB2 ASP 36 1HB ASP 36 5.638 7.541 8.251
232 HB3 ASP 36 2HB ASP 36 4.565 8.801 7.649
233 H LYS 37 H LYS 37 5.835 10.453 11.270
234 HA LYS 37 HA LYS 37 3.719 12.442 10.982
235 HB2 LYS 37 1HB LYS 37 4.901 13.632 12.796
236 HB3 LYS 37 2HB LYS 37 4.477 11.984 13.241
237 HG2 LYS 37 1HG LYS 37 6.700 11.248 13.055
238 HG3 LYS 37 2HG LYS 37 7.194 12.705 12.190
239 HD2 LYS 37 1HD LYS 37 6.148 12.784 15.009
240 HD3 LYS 37 2HD LYS 37 7.857 12.536 14.644
241 HE2 LYS 37 1HE LYS 37 7.976 14.652 13.512
242 HE3 LYS 37 2HE LYS 37 6.235 14.879 13.662
243 HZ1 LYS 37 3HZ LYS 37 8.241 15.616 15.470
244 HZ2 LYS 37 1HZ LYS 37 7.280 14.441 16.217
245 HZ3 LYS 37 2HZ LYS 37 6.571 15.850 15.606
246 H SER 38 H SER 38 7.156 12.009 10.327
247 HA SER 38 HA SER 38 7.053 14.034 8.278
248 HB2 SER 38 1HB SER 38 8.661 14.440 10.799
249 HB3 SER 38 2HB SER 38 9.068 15.248 9.285
250 HG SER 38 HG SER 38 6.422 15.400 10.136
251 H GLY 39 H GLY 39 7.987 13.000 6.645
252 HA2 GLY 39 1HA GLY 39 10.489 12.460 6.095
253 HA3 GLY 39 2HA GLY 39 10.173 11.125 7.193
254 HA PRO 40 HA PRO 40 7.469 10.509 3.197
255 HB2 PRO 40 1HB PRO 40 8.353 11.860 1.014
256 HB3 PRO 40 2HB PRO 40 7.141 12.513 2.122
257 HG2 PRO 40 1HG PRO 40 10.079 13.071 1.985
258 HG3 PRO 40 2HG PRO 40 8.735 14.203 2.222
259 HD2 PRO 40 1HD PRO 40 10.265 13.308 4.270
260 HD3 PRO 40 2HD PRO 40 8.545 13.704 4.465
261 H SER 41 H SER 41 10.866 11.336 2.483
262 HA SER 41 HA SER 41 11.459 9.492 0.563
263 HB2 SER 41 1HB SER 41 13.789 9.522 1.422
264 HB3 SER 41 2HB SER 41 13.088 11.137 1.324
265 HG SER 41 HG SER 41 12.788 9.767 3.728
266 H SER 42 H SER 42 11.572 7.346 0.415
267 HA SER 42 HA SER 42 11.775 5.760 2.880
268 HB2 SER 42 1HB SER 42 9.850 5.209 0.608
269 HB3 SER 42 2HB SER 42 10.079 4.197 2.034
270 HG SER 42 HG SER 42 8.551 5.406 2.828
271 H GLY 43 H GLY 43 11.708 5.460 -0.678
272 HA2 GLY 43 1HA GLY 43 13.131 4.375 -2.119
273 HA3 GLY 43 2HA GLY 43 14.329 4.404 -0.833
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -7.939 -17.818 8.235
2 HA2 GLY 1 1HA GLY 1 -9.427 -19.922 9.261
3 HA3 GLY 1 2HA GLY 1 -8.782 -20.482 7.726
4 H SER 2 H SER 2 -8.264 -20.823 10.828
5 HA SER 2 HA SER 2 -5.411 -20.307 10.926
6 HB2 SER 2 1HB SER 2 -7.419 -21.375 12.898
7 HB3 SER 2 2HB SER 2 -5.688 -21.471 13.218
8 HG SER 2 HG SER 2 -7.350 -19.352 13.423
9 H SER 3 H SER 3 -7.578 -23.114 10.935
10 HA SER 3 HA SER 3 -5.470 -25.032 11.008
11 HB2 SER 3 1HB SER 3 -8.325 -25.434 10.089
12 HB3 SER 3 2HB SER 3 -7.201 -26.685 10.619
13 HG SER 3 HG SER 3 -8.799 -25.857 12.204
14 H GLY 4 H GLY 4 -4.357 -25.971 9.394
15 HA2 GLY 4 1HA GLY 4 -3.567 -26.398 7.281
16 HA3 GLY 4 2HA GLY 4 -5.232 -26.250 6.737
17 H SER 5 H SER 5 -3.672 -25.415 4.903
18 HA SER 5 HA SER 5 -3.358 -22.505 5.240
19 HB2 SER 5 1HB SER 5 -1.225 -23.447 4.749
20 HB3 SER 5 2HB SER 5 -1.891 -24.468 3.475
21 HG SER 5 HG SER 5 -1.709 -22.868 2.128
22 H SER 6 H SER 6 -5.618 -22.221 4.763
23 HA SER 6 HA SER 6 -6.212 -22.488 1.888
24 HB2 SER 6 1HB SER 6 -8.635 -22.598 2.587
25 HB3 SER 6 2HB SER 6 -7.667 -23.994 3.060
26 HG SER 6 HG SER 6 -7.612 -23.244 5.141
27 H GLY 7 H GLY 7 -6.399 -20.610 0.871
28 HA2 GLY 7 1HA GLY 7 -7.666 -18.510 0.721
29 HA3 GLY 7 2HA GLY 7 -7.313 -18.269 2.425
30 H ASN 8 H ASN 8 -5.460 -18.963 -0.546
31 HA ASN 8 HA ASN 8 -3.257 -17.352 0.398
32 HB2 ASN 8 1HB ASN 8 -3.724 -18.861 -2.179
33 HB3 ASN 8 2HB ASN 8 -2.254 -17.953 -1.836
34 HD21 ASN 8 1HD2 ASN 8 -1.607 -20.325 -2.330
35 HD22 ASN 8 2HD2 ASN 8 -1.369 -21.318 -0.935
36 H GLY 9 H GLY 9 -4.108 -15.260 0.530
37 HA2 GLY 9 1HA GLY 9 -5.133 -14.050 -1.931
38 HA3 GLY 9 2HA GLY 9 -5.180 -13.334 -0.327
39 H ALA 10 H ALA 10 -4.378 -11.866 -2.520
40 HA ALA 10 HA ALA 10 -1.455 -11.693 -2.224
41 HB1 ALA 10 3HB ALA 10 -2.197 -12.044 -4.514
42 HB2 ALA 10 1HB ALA 10 -3.222 -10.612 -4.416
43 HB3 ALA 10 2HB ALA 10 -1.468 -10.448 -4.335
44 H PHE 11 H PHE 11 -3.082 -10.674 -0.181
45 HA PHE 11 HA PHE 11 -2.747 -7.769 -0.543
46 HB2 PHE 11 1HB PHE 11 -4.680 -9.146 1.330
47 HB3 PHE 11 2HB PHE 11 -4.559 -7.417 1.026
48 HD1 PHE 11 2HD PHE 11 -4.563 -7.017 -1.735
49 HD2 PHE 11 1HD PHE 11 -6.580 -10.059 0.454
50 HE1 PHE 11 2HE PHE 11 -6.214 -7.222 -3.548
51 HE2 PHE 11 1HE PHE 11 -8.234 -10.269 -1.356
52 HZ PHE 11 HZ PHE 11 -8.053 -8.849 -3.360
53 H PHE 12 H PHE 12 -0.549 -9.187 0.178
54 HA PHE 12 HA PHE 12 -0.327 -9.073 3.086
55 HB2 PHE 12 1HB PHE 12 1.968 -10.033 2.647
56 HB3 PHE 12 2HB PHE 12 0.622 -11.045 2.132
57 HD1 PHE 12 2HD PHE 12 0.084 -11.266 -0.258
58 HD2 PHE 12 1HD PHE 12 3.512 -9.129 1.082
59 HE1 PHE 12 2HE PHE 12 1.036 -11.380 -2.524
60 HE2 PHE 12 1HE PHE 12 4.470 -9.239 -1.181
61 HZ PHE 12 HZ PHE 12 3.233 -10.366 -2.988
62 H CYS 13 H CYS 13 0.815 -7.571 4.179
63 HA CYS 13 HA CYS 13 1.330 -5.073 3.098
64 HB2 CYS 13 1HB CYS 13 1.201 -5.930 5.590
65 HB3 CYS 13 2HB CYS 13 2.952 -6.021 5.425
66 H ASN 14 H ASN 14 3.387 -3.939 2.850
67 HA ASN 14 HA ASN 14 5.354 -5.657 1.521
68 HB2 ASN 14 1HB ASN 14 4.977 -2.656 1.388
69 HB3 ASN 14 2HB ASN 14 6.157 -3.579 0.462
70 HD21 ASN 14 1HD2 ASN 14 4.049 -1.890 -0.524
71 HD22 ASN 14 2HD2 ASN 14 3.024 -2.886 -1.495
72 H GLU 15 H GLU 15 5.378 -2.719 3.551
73 HA GLU 15 HA GLU 15 8.076 -2.849 4.260
74 HB2 GLU 15 1HB GLU 15 7.374 -1.431 6.231
75 HB3 GLU 15 2HB GLU 15 6.914 -0.816 4.650
76 HG2 GLU 15 1HG GLU 15 4.964 -2.508 6.113
77 HG3 GLU 15 2HG GLU 15 5.230 -0.858 6.675
78 H CYS 16 H CYS 16 5.458 -4.791 5.243
79 HA CYS 16 HA CYS 16 7.183 -6.229 7.090
80 HB2 CYS 16 1HB CYS 16 5.872 -6.036 8.985
81 HB3 CYS 16 2HB CYS 16 5.706 -4.425 8.295
82 H ASP 17 H ASP 17 5.840 -8.202 7.981
83 HA ASP 17 HA ASP 17 4.531 -9.406 5.640
84 HB2 ASP 17 1HB ASP 17 5.152 -11.572 6.593
85 HB3 ASP 17 2HB ASP 17 6.570 -10.542 6.415
86 H CYS 18 H CYS 18 2.402 -8.920 5.881
87 HA CYS 18 HA CYS 18 1.020 -10.216 8.088
88 HB2 CYS 18 1HB CYS 18 1.090 -7.268 7.638
89 HB3 CYS 18 2HB CYS 18 -0.428 -7.990 8.158
90 HG CYS 18 HG CYS 18 0.386 -7.330 10.561
91 H ARG 19 H ARG 19 -0.332 -11.522 7.050
92 HA ARG 19 HA ARG 19 -1.404 -10.815 4.457
93 HB2 ARG 19 1HB ARG 19 -0.624 -13.124 5.007
94 HB3 ARG 19 2HB ARG 19 -1.961 -13.262 6.140
95 HG2 ARG 19 1HG ARG 19 -3.564 -13.112 4.375
96 HG3 ARG 19 2HG ARG 19 -2.305 -12.728 3.200
97 HD2 ARG 19 1HD ARG 19 -2.368 -15.299 4.762
98 HD3 ARG 19 2HD ARG 19 -3.144 -15.111 3.191
99 HE ARG 19 HE ARG 19 -0.588 -14.280 2.768
100 HH11 ARG 19 1HH1 ARG 19 -2.032 -17.174 4.059
101 HH12 ARG 19 2HH1 ARG 19 -0.750 -18.209 3.522
102 HH21 ARG 19 1HH2 ARG 19 1.105 -15.633 2.057
103 HH22 ARG 19 2HH2 ARG 19 1.034 -17.331 2.385
104 H PHE 20 H PHE 20 -3.652 -10.765 3.957
105 HA PHE 20 HA PHE 20 -5.540 -10.557 6.155
106 HB2 PHE 20 1HB PHE 20 -5.097 -8.247 4.252
107 HB3 PHE 20 2HB PHE 20 -6.321 -8.331 5.514
108 HD1 PHE 20 2HD PHE 20 -5.687 -8.178 7.872
109 HD2 PHE 20 1HD PHE 20 -2.817 -7.748 4.759
110 HE1 PHE 20 2HE PHE 20 -4.106 -7.182 9.472
111 HE2 PHE 20 1HE PHE 20 -1.230 -6.752 6.354
112 HZ PHE 20 HZ PHE 20 -1.875 -6.467 8.714
113 H SER 21 H SER 21 -7.403 -11.466 5.591
114 HA SER 21 HA SER 21 -7.841 -12.637 3.099
115 HB2 SER 21 1HB SER 21 -8.999 -13.475 5.036
116 HB3 SER 21 2HB SER 21 -9.792 -11.921 5.298
117 HG SER 21 HG SER 21 -10.832 -12.253 3.246
118 H GLU 22 H GLU 22 -9.159 -9.629 4.452
119 HA GLU 22 HA GLU 22 -10.290 -8.967 1.832
120 HB2 GLU 22 1HB GLU 22 -11.649 -8.793 3.980
121 HB3 GLU 22 2HB GLU 22 -10.638 -7.415 4.393
122 HG2 GLU 22 1HG GLU 22 -11.411 -6.183 2.508
123 HG3 GLU 22 2HG GLU 22 -12.250 -7.593 1.863
124 H GLU 23 H GLU 23 -9.711 -7.149 0.689
125 HA GLU 23 HA GLU 23 -7.055 -6.262 0.907
126 HB2 GLU 23 1HB GLU 23 -8.431 -6.257 -1.183
127 HB3 GLU 23 2HB GLU 23 -9.314 -4.877 -0.544
128 HG2 GLU 23 1HG GLU 23 -7.293 -3.549 -0.529
129 HG3 GLU 23 2HG GLU 23 -6.353 -4.935 -1.078
130 H ALA 24 H ALA 24 -10.113 -4.741 1.851
131 HA ALA 24 HA ALA 24 -9.268 -2.237 2.583
132 HB1 ALA 24 3HB ALA 24 -11.252 -2.013 3.685
133 HB2 ALA 24 1HB ALA 24 -11.612 -3.452 2.731
134 HB3 ALA 24 2HB ALA 24 -11.150 -3.609 4.427
135 H SER 25 H SER 25 -9.395 -5.081 4.735
136 HA SER 25 HA SER 25 -8.383 -4.040 7.034
137 HB2 SER 25 1HB SER 25 -8.171 -6.721 5.751
138 HB3 SER 25 2HB SER 25 -7.144 -6.400 7.148
139 HG SER 25 HG SER 25 -9.376 -7.285 7.488
140 H LEU 26 H LEU 26 -6.388 -5.452 4.436
141 HA LEU 26 HA LEU 26 -3.884 -5.052 5.385
142 HB2 LEU 26 1HB LEU 26 -4.071 -6.072 3.292
143 HB3 LEU 26 2HB LEU 26 -4.996 -4.730 2.622
144 HG LEU 26 HG LEU 26 -2.889 -3.352 2.772
145 HD11 LEU 26 1HD1 LEU 26 -0.774 -4.640 2.848
146 HD12 LEU 26 2HD1 LEU 26 -1.696 -6.063 3.331
147 HD13 LEU 26 3HD1 LEU 26 -1.652 -4.644 4.377
148 HD21 LEU 26 3HD2 LEU 26 -3.218 -5.724 0.978
149 HD22 LEU 26 1HD2 LEU 26 -1.815 -4.667 0.815
150 HD23 LEU 26 2HD2 LEU 26 -3.441 -4.010 0.622
151 H LYS 27 H LYS 27 -5.491 -2.633 3.310
152 HA LYS 27 HA LYS 27 -3.730 -0.566 3.551
153 HB2 LYS 27 1HB LYS 27 -6.683 -0.701 3.187
154 HB3 LYS 27 2HB LYS 27 -5.977 0.871 3.541
155 HG2 LYS 27 1HG LYS 27 -6.018 0.818 1.230
156 HG3 LYS 27 2HG LYS 27 -4.362 0.339 1.608
157 HD2 LYS 27 1HD LYS 27 -5.037 -2.031 1.378
158 HD3 LYS 27 2HD LYS 27 -6.651 -1.498 0.904
159 HE2 LYS 27 1HE LYS 27 -5.788 -0.429 -1.059
160 HE3 LYS 27 2HE LYS 27 -4.126 -0.716 -0.544
161 HZ1 LYS 27 3HZ LYS 27 -4.941 -3.192 -0.580
162 HZ2 LYS 27 1HZ LYS 27 -4.411 -2.429 -1.994
163 HZ3 LYS 27 2HZ LYS 27 -6.067 -2.587 -1.687
164 H ARG 28 H ARG 28 -6.604 -0.936 5.639
165 HA ARG 28 HA ARG 28 -6.166 1.074 7.424
166 HB2 ARG 28 1HB ARG 28 -8.147 -0.339 7.504
167 HB3 ARG 28 2HB ARG 28 -7.177 -1.708 8.033
168 HG2 ARG 28 1HG ARG 28 -8.252 -0.880 9.955
169 HG3 ARG 28 2HG ARG 28 -6.575 -0.343 10.066
170 HD2 ARG 28 1HD ARG 28 -8.047 1.469 10.682
171 HD3 ARG 28 2HD ARG 28 -7.251 1.848 9.155
172 HE ARG 28 HE ARG 28 -9.578 0.736 8.361
173 HH11 ARG 28 1HH1 ARG 28 -8.807 3.287 10.601
174 HH12 ARG 28 2HH1 ARG 28 -10.286 4.148 10.332
175 HH21 ARG 28 1HH2 ARG 28 -11.529 1.860 7.998
176 HH22 ARG 28 2HH2 ARG 28 -11.834 3.335 8.852
177 H HIS 29 H HIS 29 -4.971 -2.264 7.829
178 HA HIS 29 HA HIS 29 -3.553 -2.028 10.139
179 HB2 HIS 29 1HB HIS 29 -3.499 -4.171 9.289
180 HB3 HIS 29 2HB HIS 29 -3.124 -3.629 7.656
181 HD1 HIS 29 1HD HIS 29 -1.525 -4.540 10.902
182 HD2 HIS 29 2HD HIS 29 -0.394 -3.285 7.107
183 HE1 HIS 29 1HE HIS 29 0.961 -4.903 10.787
184 H THR 30 H THR 30 -2.400 -1.159 6.895
185 HA THR 30 HA THR 30 0.185 -0.367 7.628
186 HB THR 30 HB THR 30 -1.490 0.735 5.365
187 HG1 THR 30 1HG THR 30 -0.606 -0.943 4.162
188 HG21 THR 30 3HG2 THR 30 1.502 0.512 5.427
189 HG22 THR 30 1HG2 THR 30 0.682 1.927 6.085
190 HG23 THR 30 2HG2 THR 30 0.486 1.506 4.384
191 H LEU 31 H LEU 31 -2.862 1.407 7.568
192 HA LEU 31 HA LEU 31 -1.698 3.947 8.144
193 HB2 LEU 31 1HB LEU 31 -4.458 2.829 8.077
194 HB3 LEU 31 2HB LEU 31 -4.186 4.371 8.886
195 HG LEU 31 HG LEU 31 -4.976 4.573 6.537
196 HD11 LEU 31 1HD1 LEU 31 -3.486 6.344 5.949
197 HD12 LEU 31 2HD1 LEU 31 -2.198 5.664 6.943
198 HD13 LEU 31 3HD1 LEU 31 -3.644 6.327 7.706
199 HD21 LEU 31 3HD2 LEU 31 -2.382 3.158 6.017
200 HD22 LEU 31 1HD2 LEU 31 -3.121 4.208 4.808
201 HD23 LEU 31 2HD2 LEU 31 -3.990 2.790 5.394
202 H GLN 32 H GLN 32 -3.105 1.361 10.076
203 HA GLN 32 HA GLN 32 -2.987 2.843 12.533
204 HB2 GLN 32 1HB GLN 32 -3.432 -0.091 11.967
205 HB3 GLN 32 2HB GLN 32 -3.514 0.624 13.572
206 HG2 GLN 32 1HG GLN 32 -5.237 2.228 12.370
207 HG3 GLN 32 2HG GLN 32 -5.398 0.841 11.294
208 HE21 GLN 32 1HE2 GLN 32 -7.354 0.094 11.850
209 HE22 GLN 32 2HE2 GLN 32 -7.792 -0.437 13.435
210 H THR 33 H THR 33 -1.350 -0.178 11.570
211 HA THR 33 HA THR 33 0.612 -0.052 13.575
212 HB THR 33 HB THR 33 0.817 -1.451 10.902
213 HG1 THR 33 1HG THR 33 0.054 -2.688 13.322
214 HG21 THR 33 3HG2 THR 33 2.565 -1.294 13.221
215 HG22 THR 33 1HG2 THR 33 2.883 -1.941 11.612
216 HG23 THR 33 2HG2 THR 33 2.111 -2.953 12.833
217 H HIS 34 H HIS 34 0.849 0.740 10.107
218 HA HIS 34 HA HIS 34 3.365 2.148 10.649
219 HB2 HIS 34 1HB HIS 34 2.197 1.613 7.924
220 HB3 HIS 34 2HB HIS 34 3.872 1.955 8.346
221 HD1 HIS 34 1HD HIS 34 4.374 -0.127 10.506
222 HD2 HIS 34 2HD HIS 34 2.318 -0.927 6.985
223 HE1 HIS 34 1HE HIS 34 4.571 -2.611 10.162
224 H SER 35 H SER 35 3.543 4.026 8.796
225 HA SER 35 HA SER 35 1.193 5.588 8.424
226 HB2 SER 35 1HB SER 35 1.429 6.049 10.793
227 HB3 SER 35 2HB SER 35 3.129 6.463 10.580
228 HG SER 35 HG SER 35 2.545 8.290 9.487
229 H ASP 36 H ASP 36 1.517 7.269 6.999
230 HA ASP 36 HA ASP 36 4.270 7.892 6.213
231 HB2 ASP 36 1HB ASP 36 2.203 7.413 4.088
232 HB3 ASP 36 2HB ASP 36 3.958 7.415 3.947
233 H LYS 37 H LYS 37 4.595 9.996 5.826
234 HA LYS 37 HA LYS 37 2.645 11.912 6.434
235 HB2 LYS 37 1HB LYS 37 5.224 12.231 4.888
236 HB3 LYS 37 2HB LYS 37 4.268 13.558 5.535
237 HG2 LYS 37 1HG LYS 37 5.439 11.375 7.240
238 HG3 LYS 37 2HG LYS 37 6.259 12.901 6.901
239 HD2 LYS 37 1HD LYS 37 4.391 14.127 7.897
240 HD3 LYS 37 2HD LYS 37 3.561 12.604 8.225
241 HE2 LYS 37 1HE LYS 37 4.551 13.016 10.258
242 HE3 LYS 37 2HE LYS 37 5.775 12.012 9.484
243 HZ1 LYS 37 3HZ LYS 37 6.835 14.159 8.760
244 HZ2 LYS 37 1HZ LYS 37 6.905 13.830 10.418
245 HZ3 LYS 37 2HZ LYS 37 5.788 14.953 9.825
246 H SER 38 H SER 38 4.004 10.981 3.276
247 HA SER 38 HA SER 38 2.797 12.619 1.537
248 HB2 SER 38 1HB SER 38 4.153 10.435 1.112
249 HB3 SER 38 2HB SER 38 2.569 9.669 1.009
250 HG SER 38 HG SER 38 3.557 11.800 -0.581
251 H GLY 39 H GLY 39 0.824 12.623 0.311
252 HA2 GLY 39 1HA GLY 39 -1.480 12.935 0.449
253 HA3 GLY 39 2HA GLY 39 -1.415 11.179 0.447
254 HA PRO 40 HA PRO 40 -3.511 11.258 4.309
255 HB2 PRO 40 1HB PRO 40 -2.878 8.768 5.188
256 HB3 PRO 40 2HB PRO 40 -4.045 9.062 3.893
257 HG2 PRO 40 1HG PRO 40 -1.167 8.261 3.703
258 HG3 PRO 40 2HG PRO 40 -2.560 7.655 2.788
259 HD2 PRO 40 1HD PRO 40 -0.831 9.474 1.773
260 HD3 PRO 40 2HD PRO 40 -2.553 9.451 1.344
261 H SER 41 H SER 41 -2.371 12.803 5.493
262 HA SER 41 HA SER 41 0.077 11.980 6.856
263 HB2 SER 41 1HB SER 41 -1.252 14.586 6.283
264 HB3 SER 41 2HB SER 41 -0.244 14.483 7.726
265 HG SER 41 HG SER 41 0.702 15.049 5.507
266 H SER 42 H SER 42 -2.116 10.556 7.701
267 HA SER 42 HA SER 42 -3.294 11.746 10.033
268 HB2 SER 42 1HB SER 42 -3.344 8.988 8.829
269 HB3 SER 42 2HB SER 42 -4.043 9.300 10.418
270 HG SER 42 HG SER 42 -5.420 9.508 8.418
271 H GLY 43 H GLY 43 -1.227 8.854 9.670
272 HA2 GLY 43 1HA GLY 43 0.067 7.800 11.289
273 HA3 GLY 43 2HA GLY 43 0.858 9.369 11.268
Start of MODEL 17
1 H1 GLY 1 H GLY 1 15.075 -20.116 6.073
2 HA2 GLY 1 1HA GLY 1 16.577 -19.188 4.517
3 HA3 GLY 1 2HA GLY 1 17.771 -20.388 4.988
4 H SER 2 H SER 2 14.576 -20.187 3.426
5 HA SER 2 HA SER 2 15.563 -21.946 1.312
6 HB2 SER 2 1HB SER 2 14.519 -23.515 2.815
7 HB3 SER 2 2HB SER 2 13.090 -22.493 2.967
8 HG SER 2 HG SER 2 12.636 -22.895 0.785
9 H SER 3 H SER 3 14.936 -21.284 -0.642
10 HA SER 3 HA SER 3 12.755 -19.308 -0.790
11 HB2 SER 3 1HB SER 3 13.882 -18.326 -2.702
12 HB3 SER 3 2HB SER 3 15.019 -18.432 -1.358
13 HG SER 3 HG SER 3 15.474 -19.291 -3.711
14 H GLY 4 H GLY 4 11.215 -19.487 -2.400
15 HA2 GLY 4 1HA GLY 4 10.880 -20.692 -4.663
16 HA3 GLY 4 2HA GLY 4 11.097 -22.132 -3.681
17 H SER 5 H SER 5 8.790 -21.540 -5.221
18 HA SER 5 HA SER 5 6.516 -21.363 -5.096
19 HB2 SER 5 1HB SER 5 7.044 -22.655 -2.408
20 HB3 SER 5 2HB SER 5 5.495 -22.639 -3.250
21 HG SER 5 HG SER 5 7.580 -24.303 -3.575
22 H SER 6 H SER 6 7.748 -18.976 -4.437
23 HA SER 6 HA SER 6 7.050 -17.810 -2.013
24 HB2 SER 6 1HB SER 6 7.612 -16.755 -4.751
25 HB3 SER 6 2HB SER 6 6.939 -15.653 -3.550
26 HG SER 6 HG SER 6 8.871 -15.517 -2.766
27 H GLY 7 H GLY 7 5.402 -16.050 -1.709
28 HA2 GLY 7 1HA GLY 7 3.253 -15.148 -2.098
29 HA3 GLY 7 2HA GLY 7 2.934 -16.458 -3.226
30 H ASN 8 H ASN 8 1.946 -15.247 -0.406
31 HA ASN 8 HA ASN 8 1.184 -17.897 0.627
32 HB2 ASN 8 1HB ASN 8 1.106 -16.607 2.906
33 HB3 ASN 8 2HB ASN 8 2.643 -17.213 2.295
34 HD21 ASN 8 1HD2 ASN 8 4.260 -15.828 2.020
35 HD22 ASN 8 2HD2 ASN 8 4.131 -14.108 2.127
36 H GLY 9 H GLY 9 0.351 -14.444 0.525
37 HA2 GLY 9 1HA GLY 9 -2.490 -15.245 0.571
38 HA3 GLY 9 2HA GLY 9 -1.911 -13.885 1.522
39 H ALA 10 H ALA 10 -3.751 -12.945 0.161
40 HA ALA 10 HA ALA 10 -2.927 -12.244 -2.550
41 HB1 ALA 10 3HB ALA 10 -5.102 -12.215 -2.980
42 HB2 ALA 10 1HB ALA 10 -5.413 -12.673 -1.305
43 HB3 ALA 10 2HB ALA 10 -5.363 -10.969 -1.760
44 H PHE 11 H PHE 11 -3.920 -10.587 0.444
45 HA PHE 11 HA PHE 11 -2.593 -8.157 -0.554
46 HB2 PHE 11 1HB PHE 11 -4.511 -8.234 1.764
47 HB3 PHE 11 2HB PHE 11 -4.055 -6.860 0.760
48 HD1 PHE 11 2HD PHE 11 -4.738 -6.983 -1.732
49 HD2 PHE 11 1HD PHE 11 -6.471 -9.374 1.334
50 HE1 PHE 11 2HE PHE 11 -6.713 -7.363 -3.149
51 HE2 PHE 11 1HE PHE 11 -8.448 -9.759 -0.079
52 HZ PHE 11 HZ PHE 11 -8.572 -8.752 -2.323
53 H PHE 12 H PHE 12 -0.501 -8.797 0.078
54 HA PHE 12 HA PHE 12 -0.059 -9.105 2.964
55 HB2 PHE 12 1HB PHE 12 2.183 -9.933 2.337
56 HB3 PHE 12 2HB PHE 12 0.898 -10.876 1.588
57 HD1 PHE 12 2HD PHE 12 0.313 -10.404 -0.825
58 HD2 PHE 12 1HD PHE 12 3.830 -8.902 1.044
59 HE1 PHE 12 2HE PHE 12 1.321 -10.022 -3.036
60 HE2 PHE 12 1HE PHE 12 4.843 -8.517 -1.165
61 HZ PHE 12 HZ PHE 12 3.589 -9.078 -3.209
62 H CYS 13 H CYS 13 0.822 -7.517 4.116
63 HA CYS 13 HA CYS 13 1.263 -4.958 3.078
64 HB2 CYS 13 1HB CYS 13 0.753 -5.461 5.460
65 HB3 CYS 13 2HB CYS 13 2.381 -6.107 5.644
66 H ASN 14 H ASN 14 3.070 -3.834 2.478
67 HA ASN 14 HA ASN 14 5.325 -5.415 1.612
68 HB2 ASN 14 1HB ASN 14 4.634 -2.489 1.324
69 HB3 ASN 14 2HB ASN 14 6.133 -3.184 0.715
70 HD21 ASN 14 1HD2 ASN 14 2.655 -3.163 0.413
71 HD22 ASN 14 2HD2 ASN 14 2.594 -3.849 -1.172
72 H GLU 15 H GLU 15 4.809 -2.669 3.812
73 HA GLU 15 HA GLU 15 7.411 -2.289 4.667
74 HB2 GLU 15 1HB GLU 15 4.754 -1.896 6.007
75 HB3 GLU 15 2HB GLU 15 6.245 -1.590 6.886
76 HG2 GLU 15 1HG GLU 15 6.905 0.082 5.292
77 HG3 GLU 15 2HG GLU 15 5.515 -0.289 4.274
78 H CYS 16 H CYS 16 4.944 -4.433 6.077
79 HA CYS 16 HA CYS 16 7.127 -5.984 7.300
80 HB2 CYS 16 1HB CYS 16 5.844 -6.329 9.290
81 HB3 CYS 16 2HB CYS 16 5.851 -4.598 8.970
82 H ASP 17 H ASP 17 6.164 -8.195 8.084
83 HA ASP 17 HA ASP 17 4.893 -9.375 5.736
84 HB2 ASP 17 1HB ASP 17 6.244 -10.645 8.126
85 HB3 ASP 17 2HB ASP 17 5.555 -11.540 6.775
86 H CYS 18 H CYS 18 2.746 -9.432 5.751
87 HA CYS 18 HA CYS 18 1.360 -10.705 7.935
88 HB2 CYS 18 1HB CYS 18 1.591 -8.152 8.424
89 HB3 CYS 18 2HB CYS 18 0.346 -7.980 7.193
90 HG CYS 18 HG CYS 18 -0.266 -10.181 9.682
91 H ARG 19 H ARG 19 -0.785 -11.332 7.398
92 HA ARG 19 HA ARG 19 -1.497 -10.996 4.563
93 HB2 ARG 19 1HB ARG 19 -2.235 -13.343 4.502
94 HB3 ARG 19 2HB ARG 19 -0.514 -13.207 4.833
95 HG2 ARG 19 1HG ARG 19 -1.206 -13.382 7.312
96 HG3 ARG 19 2HG ARG 19 -2.729 -14.006 6.673
97 HD2 ARG 19 1HD ARG 19 -1.471 -15.928 7.029
98 HD3 ARG 19 2HD ARG 19 -1.250 -15.611 5.309
99 HE ARG 19 HE ARG 19 0.835 -14.334 6.554
100 HH11 ARG 19 1HH1 ARG 19 -0.371 -17.596 6.403
101 HH12 ARG 19 2HH1 ARG 19 1.189 -18.321 6.614
102 HH21 ARG 19 1HH2 ARG 19 2.893 -15.276 6.834
103 HH22 ARG 19 2HH2 ARG 19 3.044 -17.000 6.860
104 H PHE 20 H PHE 20 -3.640 -10.720 4.117
105 HA PHE 20 HA PHE 20 -5.536 -10.907 6.354
106 HB2 PHE 20 1HB PHE 20 -5.269 -8.584 4.435
107 HB3 PHE 20 2HB PHE 20 -6.584 -8.785 5.588
108 HD1 PHE 20 2HD PHE 20 -6.174 -8.566 7.990
109 HD2 PHE 20 1HD PHE 20 -3.102 -7.861 5.130
110 HE1 PHE 20 2HE PHE 20 -4.843 -7.415 9.709
111 HE2 PHE 20 1HE PHE 20 -1.765 -6.710 6.845
112 HZ PHE 20 HZ PHE 20 -2.635 -6.485 9.138
113 H SER 21 H SER 21 -7.848 -10.723 5.545
114 HA SER 21 HA SER 21 -8.153 -12.574 3.336
115 HB2 SER 21 1HB SER 21 -9.926 -11.521 5.498
116 HB3 SER 21 2HB SER 21 -10.678 -12.170 4.041
117 HG SER 21 HG SER 21 -9.428 -14.094 4.407
118 H GLU 22 H GLU 22 -9.242 -9.296 4.166
119 HA GLU 22 HA GLU 22 -9.810 -8.860 1.307
120 HB2 GLU 22 1HB GLU 22 -11.831 -8.827 2.764
121 HB3 GLU 22 2HB GLU 22 -11.129 -7.481 3.651
122 HG2 GLU 22 1HG GLU 22 -12.607 -6.478 2.168
123 HG3 GLU 22 2HG GLU 22 -11.032 -6.280 1.401
124 H GLU 23 H GLU 23 -9.224 -6.869 0.400
125 HA GLU 23 HA GLU 23 -6.786 -5.808 1.134
126 HB2 GLU 23 1HB GLU 23 -7.903 -5.520 -1.080
127 HB3 GLU 23 2HB GLU 23 -8.965 -4.328 -0.346
128 HG2 GLU 23 1HG GLU 23 -6.806 -3.108 0.313
129 HG3 GLU 23 2HG GLU 23 -6.027 -4.149 -0.877
130 H ALA 24 H ALA 24 -10.017 -4.487 1.813
131 HA ALA 24 HA ALA 24 -9.527 -2.143 3.027
132 HB1 ALA 24 3HB ALA 24 -11.663 -2.325 3.595
133 HB2 ALA 24 1HB ALA 24 -11.619 -4.016 3.096
134 HB3 ALA 24 2HB ALA 24 -11.284 -3.583 4.772
135 H SER 25 H SER 25 -9.176 -5.304 4.620
136 HA SER 25 HA SER 25 -8.430 -4.425 7.143
137 HB2 SER 25 1HB SER 25 -7.405 -6.886 5.707
138 HB3 SER 25 2HB SER 25 -7.405 -6.623 7.451
139 HG SER 25 HG SER 25 -9.207 -7.889 6.470
140 H LEU 26 H LEU 26 -6.315 -5.252 4.399
141 HA LEU 26 HA LEU 26 -3.888 -4.613 5.642
142 HB2 LEU 26 1HB LEU 26 -4.160 -5.890 3.525
143 HB3 LEU 26 2HB LEU 26 -4.545 -4.376 2.710
144 HG LEU 26 HG LEU 26 -2.254 -3.564 3.389
145 HD11 LEU 26 1HD1 LEU 26 -1.746 -5.064 5.176
146 HD12 LEU 26 2HD1 LEU 26 -0.604 -5.371 3.868
147 HD13 LEU 26 3HD1 LEU 26 -1.960 -6.468 4.130
148 HD21 LEU 26 3HD2 LEU 26 -1.588 -4.148 1.343
149 HD22 LEU 26 1HD2 LEU 26 -3.098 -5.052 1.223
150 HD23 LEU 26 2HD2 LEU 26 -1.621 -5.868 1.736
151 H LYS 27 H LYS 27 -5.674 -2.665 3.241
152 HA LYS 27 HA LYS 27 -4.306 -0.385 3.121
153 HB2 LYS 27 1HB LYS 27 -6.774 -1.007 2.365
154 HB3 LYS 27 2HB LYS 27 -7.197 -0.032 3.766
155 HG2 LYS 27 1HG LYS 27 -5.492 1.655 2.641
156 HG3 LYS 27 2HG LYS 27 -5.973 0.772 1.190
157 HD2 LYS 27 1HD LYS 27 -8.077 1.748 3.069
158 HD3 LYS 27 2HD LYS 27 -7.306 2.893 1.968
159 HE2 LYS 27 1HE LYS 27 -7.910 1.431 0.076
160 HE3 LYS 27 2HE LYS 27 -8.733 0.349 1.197
161 HZ1 LYS 27 3HZ LYS 27 -9.784 2.813 1.731
162 HZ2 LYS 27 1HZ LYS 27 -10.525 1.585 0.833
163 HZ3 LYS 27 2HZ LYS 27 -9.645 2.796 0.045
164 H ARG 28 H ARG 28 -6.615 -1.030 5.762
165 HA ARG 28 HA ARG 28 -5.978 1.285 7.242
166 HB2 ARG 28 1HB ARG 28 -7.974 -0.442 7.420
167 HB3 ARG 28 2HB ARG 28 -6.926 -1.187 8.620
168 HG2 ARG 28 1HG ARG 28 -7.668 1.720 8.718
169 HG3 ARG 28 2HG ARG 28 -8.649 0.459 9.469
170 HD2 ARG 28 1HD ARG 28 -6.842 -0.185 10.899
171 HD3 ARG 28 2HD ARG 28 -5.721 0.872 10.042
172 HE ARG 28 HE ARG 28 -7.633 1.633 12.063
173 HH11 ARG 28 1HH1 ARG 28 -5.635 2.707 9.422
174 HH12 ARG 28 2HH1 ARG 28 -5.583 4.353 9.960
175 HH21 ARG 28 1HH2 ARG 28 -7.572 3.797 12.781
176 HH22 ARG 28 2HH2 ARG 28 -6.684 4.972 11.871
177 H HIS 29 H HIS 29 -4.996 -2.108 7.726
178 HA HIS 29 HA HIS 29 -3.404 -1.935 9.907
179 HB2 HIS 29 1HB HIS 29 -3.509 -4.074 9.038
180 HB3 HIS 29 2HB HIS 29 -3.179 -3.537 7.394
181 HD1 HIS 29 1HD HIS 29 -1.589 -5.024 10.306
182 HD2 HIS 29 2HD HIS 29 -0.361 -2.840 6.991
183 HE1 HIS 29 1HE HIS 29 0.896 -5.381 10.148
184 H THR 30 H THR 30 -2.500 -0.989 6.617
185 HA THR 30 HA THR 30 0.187 -0.375 7.112
186 HB THR 30 HB THR 30 -1.688 0.876 5.096
187 HG1 THR 30 1HG THR 30 -1.218 -1.498 5.069
188 HG21 THR 30 3HG2 THR 30 1.201 0.718 4.544
189 HG22 THR 30 1HG2 THR 30 0.734 1.868 5.796
190 HG23 THR 30 2HG2 THR 30 0.045 1.998 4.178
191 H LEU 31 H LEU 31 -2.745 1.541 7.501
192 HA LEU 31 HA LEU 31 -1.331 3.958 8.142
193 HB2 LEU 31 1HB LEU 31 -4.175 3.090 8.074
194 HB3 LEU 31 2HB LEU 31 -3.760 4.516 9.024
195 HG LEU 31 HG LEU 31 -2.727 5.465 6.924
196 HD11 LEU 31 1HD1 LEU 31 -2.450 4.046 5.232
197 HD12 LEU 31 2HD1 LEU 31 -4.189 4.172 4.969
198 HD13 LEU 31 3HD1 LEU 31 -3.540 2.857 5.948
199 HD21 LEU 31 3HD2 LEU 31 -5.541 5.083 6.214
200 HD22 LEU 31 1HD2 LEU 31 -4.647 6.562 6.567
201 HD23 LEU 31 2HD2 LEU 31 -5.276 5.575 7.887
202 H GLN 32 H GLN 32 -3.073 1.473 9.970
203 HA GLN 32 HA GLN 32 -2.624 2.732 12.501
204 HB2 GLN 32 1HB GLN 32 -4.540 1.216 12.050
205 HB3 GLN 32 2HB GLN 32 -3.411 -0.126 11.913
206 HG2 GLN 32 1HG GLN 32 -2.681 0.416 14.269
207 HG3 GLN 32 2HG GLN 32 -4.076 1.491 14.352
208 HE21 GLN 32 1HE2 GLN 32 -2.961 -1.663 14.717
209 HE22 GLN 32 2HE2 GLN 32 -4.487 -2.449 14.912
210 H THR 33 H THR 33 -1.456 -0.386 11.217
211 HA THR 33 HA THR 33 0.470 -0.884 13.136
212 HB THR 33 HB THR 33 0.708 -1.609 10.211
213 HG1 THR 33 1HG THR 33 -1.146 -2.567 10.712
214 HG21 THR 33 3HG2 THR 33 2.620 -2.557 10.870
215 HG22 THR 33 1HG2 THR 33 1.646 -3.681 11.816
216 HG23 THR 33 2HG2 THR 33 2.280 -2.216 12.566
217 H HIS 34 H HIS 34 0.856 0.824 10.041
218 HA HIS 34 HA HIS 34 3.418 1.879 11.045
219 HB2 HIS 34 1HB HIS 34 2.633 1.668 8.139
220 HB3 HIS 34 2HB HIS 34 4.231 1.991 8.805
221 HD1 HIS 34 1HD HIS 34 5.258 -0.115 10.229
222 HD2 HIS 34 2HD HIS 34 2.199 -0.940 7.542
223 HE1 HIS 34 1HE HIS 34 5.380 -2.592 9.812
224 H SER 35 H SER 35 2.214 3.570 12.111
225 HA SER 35 HA SER 35 0.443 5.335 10.932
226 HB2 SER 35 1HB SER 35 2.397 5.577 13.187
227 HB3 SER 35 2HB SER 35 1.554 7.020 12.625
228 HG SER 35 HG SER 35 -0.415 5.693 12.892
229 H ASP 36 H ASP 36 0.590 6.897 9.455
230 HA ASP 36 HA ASP 36 2.765 7.237 7.789
231 HB2 ASP 36 1HB ASP 36 0.386 7.988 7.378
232 HB3 ASP 36 2HB ASP 36 0.736 9.396 8.376
233 H LYS 37 H LYS 37 4.468 8.652 7.657
234 HA LYS 37 HA LYS 37 5.377 9.771 10.156
235 HB2 LYS 37 1HB LYS 37 6.734 8.603 8.207
236 HB3 LYS 37 2HB LYS 37 6.810 10.244 7.578
237 HG2 LYS 37 1HG LYS 37 8.123 10.993 9.305
238 HG3 LYS 37 2HG LYS 37 7.564 9.741 10.416
239 HD2 LYS 37 1HD LYS 37 8.754 8.101 8.824
240 HD3 LYS 37 2HD LYS 37 9.571 9.534 8.196
241 HE2 LYS 37 1HE LYS 37 10.985 8.617 9.864
242 HE3 LYS 37 2HE LYS 37 10.242 10.054 10.564
243 HZ1 LYS 37 3HZ LYS 37 9.435 7.238 11.047
244 HZ2 LYS 37 1HZ LYS 37 8.614 8.590 11.650
245 HZ3 LYS 37 2HZ LYS 37 10.199 8.271 12.148
246 H SER 38 H SER 38 5.159 11.172 6.880
247 HA SER 38 HA SER 38 5.426 13.819 7.540
248 HB2 SER 38 1HB SER 38 5.063 12.588 5.220
249 HB3 SER 38 2HB SER 38 3.399 13.121 5.458
250 HG SER 38 HG SER 38 4.678 15.235 5.982
251 H GLY 39 H GLY 39 3.826 15.562 7.652
252 HA2 GLY 39 1HA GLY 39 1.665 16.386 8.161
253 HA3 GLY 39 2HA GLY 39 1.189 14.766 8.647
254 HA PRO 40 HA PRO 40 3.716 16.825 12.262
255 HB2 PRO 40 1HB PRO 40 3.711 19.540 12.216
256 HB3 PRO 40 2HB PRO 40 4.985 18.569 11.468
257 HG2 PRO 40 1HG PRO 40 2.616 19.887 10.199
258 HG3 PRO 40 2HG PRO 40 4.294 19.816 9.631
259 HD2 PRO 40 1HD PRO 40 2.355 18.202 8.649
260 HD3 PRO 40 2HD PRO 40 4.049 17.688 8.781
261 H SER 41 H SER 41 2.417 16.598 13.961
262 HA SER 41 HA SER 41 0.776 17.001 15.496
263 HB2 SER 41 1HB SER 41 1.281 19.440 14.924
264 HB3 SER 41 2HB SER 41 -0.113 19.367 13.846
265 HG SER 41 HG SER 41 -0.424 20.102 16.131
266 H SER 42 H SER 42 0.425 15.364 13.117
267 HA SER 42 HA SER 42 -2.311 15.726 12.268
268 HB2 SER 42 1HB SER 42 -1.931 13.646 10.974
269 HB3 SER 42 2HB SER 42 -0.680 14.853 10.675
270 HG SER 42 HG SER 42 0.345 12.919 11.021
271 H GLY 43 H GLY 43 -0.538 13.176 14.027
272 HA2 GLY 43 1HA GLY 43 -1.230 11.721 15.664
273 HA3 GLY 43 2HA GLY 43 -2.557 12.830 15.973
Start of MODEL 18
1 H1 GLY 1 H GLY 1 7.574 -32.164 0.777
2 HA2 GLY 1 1HA GLY 1 5.499 -31.855 2.280
3 HA3 GLY 1 2HA GLY 1 5.333 -31.377 0.596
4 H SER 2 H SER 2 4.308 -33.528 3.053
5 HA SER 2 HA SER 2 3.086 -35.471 1.342
6 HB2 SER 2 1HB SER 2 2.891 -34.870 4.288
7 HB3 SER 2 2HB SER 2 1.876 -36.094 3.526
8 HG SER 2 HG SER 2 3.972 -36.789 4.456
9 H SER 3 H SER 3 1.746 -34.400 -0.092
10 HA SER 3 HA SER 3 -0.117 -33.343 -0.870
11 HB2 SER 3 1HB SER 3 -1.053 -34.794 1.574
12 HB3 SER 3 2HB SER 3 -2.172 -33.713 0.744
13 HG SER 3 HG SER 3 -0.739 -35.511 -0.826
14 H GLY 4 H GLY 4 1.652 -31.629 0.414
15 HA2 GLY 4 1HA GLY 4 0.217 -29.955 2.276
16 HA3 GLY 4 2HA GLY 4 1.806 -29.638 1.594
17 H SER 5 H SER 5 -0.363 -27.767 1.943
18 HA SER 5 HA SER 5 -1.200 -27.232 -0.816
19 HB2 SER 5 1HB SER 5 -2.127 -26.059 1.815
20 HB3 SER 5 2HB SER 5 -2.713 -25.536 0.236
21 HG SER 5 HG SER 5 -4.112 -27.079 1.085
22 H SER 6 H SER 6 -1.285 -24.810 -1.357
23 HA SER 6 HA SER 6 0.986 -23.335 -0.255
24 HB2 SER 6 1HB SER 6 1.996 -24.465 -2.122
25 HB3 SER 6 2HB SER 6 0.649 -24.038 -3.178
26 HG SER 6 HG SER 6 2.718 -22.722 -3.192
27 H GLY 7 H GLY 7 0.392 -21.317 0.166
28 HA2 GLY 7 1HA GLY 7 -0.480 -19.257 -1.046
29 HA3 GLY 7 2HA GLY 7 -1.929 -20.221 -1.291
30 H ASN 8 H ASN 8 0.172 -18.904 1.248
31 HA ASN 8 HA ASN 8 -1.539 -19.349 3.413
32 HB2 ASN 8 1HB ASN 8 0.616 -17.306 2.906
33 HB3 ASN 8 2HB ASN 8 -0.286 -17.338 4.419
34 HD21 ASN 8 1HD2 ASN 8 2.554 -18.083 3.325
35 HD22 ASN 8 2HD2 ASN 8 2.895 -19.549 4.172
36 H GLY 9 H GLY 9 -1.171 -16.445 1.379
37 HA2 GLY 9 1HA GLY 9 -3.975 -15.803 1.844
38 HA3 GLY 9 2HA GLY 9 -2.807 -14.628 2.429
39 H ALA 10 H ALA 10 -4.403 -13.528 0.750
40 HA ALA 10 HA ALA 10 -3.285 -13.759 -1.953
41 HB1 ALA 10 3HB ALA 10 -5.655 -13.924 -1.951
42 HB2 ALA 10 1HB ALA 10 -5.818 -12.495 -0.930
43 HB3 ALA 10 2HB ALA 10 -5.251 -12.331 -2.592
44 H PHE 11 H PHE 11 -4.249 -11.224 0.365
45 HA PHE 11 HA PHE 11 -2.404 -9.376 -0.968
46 HB2 PHE 11 1HB PHE 11 -4.652 -8.904 0.996
47 HB3 PHE 11 2HB PHE 11 -3.567 -7.637 0.433
48 HD1 PHE 11 2HD PHE 11 -3.334 -7.619 -2.254
49 HD2 PHE 11 1HD PHE 11 -6.681 -9.043 -0.043
50 HE1 PHE 11 2HE PHE 11 -4.779 -7.251 -4.211
51 HE2 PHE 11 1HE PHE 11 -8.131 -8.679 -1.997
52 HZ PHE 11 HZ PHE 11 -7.181 -7.780 -4.084
53 H PHE 12 H PHE 12 -0.592 -8.655 -0.018
54 HA PHE 12 HA PHE 12 -0.184 -9.235 2.836
55 HB2 PHE 12 1HB PHE 12 1.908 -10.197 2.495
56 HB3 PHE 12 2HB PHE 12 0.980 -10.836 1.142
57 HD1 PHE 12 2HD PHE 12 1.077 -9.341 -1.038
58 HD2 PHE 12 1HD PHE 12 3.982 -9.320 2.072
59 HE1 PHE 12 2HE PHE 12 2.745 -8.440 -2.607
60 HE2 PHE 12 1HE PHE 12 5.655 -8.419 0.509
61 HZ PHE 12 HZ PHE 12 5.037 -7.979 -1.834
62 H CYS 13 H CYS 13 1.219 -7.824 3.944
63 HA CYS 13 HA CYS 13 1.196 -5.138 2.931
64 HB2 CYS 13 1HB CYS 13 0.787 -5.567 5.300
65 HB3 CYS 13 2HB CYS 13 2.385 -6.288 5.464
66 H ASN 14 H ASN 14 2.833 -3.972 2.089
67 HA ASN 14 HA ASN 14 5.158 -5.344 1.157
68 HB2 ASN 14 1HB ASN 14 4.513 -2.387 1.098
69 HB3 ASN 14 2HB ASN 14 5.780 -3.184 0.170
70 HD21 ASN 14 1HD2 ASN 14 5.160 -3.086 -1.872
71 HD22 ASN 14 2HD2 ASN 14 3.618 -3.569 -2.482
72 H GLU 15 H GLU 15 4.604 -2.752 3.527
73 HA GLU 15 HA GLU 15 7.255 -2.319 4.266
74 HB2 GLU 15 1HB GLU 15 4.809 -2.136 6.035
75 HB3 GLU 15 2HB GLU 15 6.362 -1.367 6.333
76 HG2 GLU 15 1HG GLU 15 5.914 -0.296 3.977
77 HG3 GLU 15 2HG GLU 15 4.237 -0.662 4.380
78 H CYS 16 H CYS 16 4.888 -4.136 6.220
79 HA CYS 16 HA CYS 16 7.115 -5.767 7.236
80 HB2 CYS 16 1HB CYS 16 5.896 -6.097 9.230
81 HB3 CYS 16 2HB CYS 16 5.665 -4.397 8.836
82 H ASP 17 H ASP 17 6.049 -7.980 8.130
83 HA ASP 17 HA ASP 17 4.830 -9.212 5.755
84 HB2 ASP 17 1HB ASP 17 7.102 -10.004 6.634
85 HB3 ASP 17 2HB ASP 17 6.211 -10.688 7.991
86 H CYS 18 H CYS 18 2.727 -9.582 5.906
87 HA CYS 18 HA CYS 18 1.623 -10.930 8.195
88 HB2 CYS 18 1HB CYS 18 1.642 -8.372 8.675
89 HB3 CYS 18 2HB CYS 18 0.319 -8.311 7.516
90 HG CYS 18 HG CYS 18 0.302 -10.173 10.389
91 H ARG 19 H ARG 19 -0.822 -11.228 7.876
92 HA ARG 19 HA ARG 19 -1.340 -11.619 5.001
93 HB2 ARG 19 1HB ARG 19 -2.630 -13.582 5.561
94 HB3 ARG 19 2HB ARG 19 -1.034 -13.719 6.287
95 HG2 ARG 19 1HG ARG 19 -2.044 -12.887 8.428
96 HG3 ARG 19 2HG ARG 19 -3.623 -13.048 7.657
97 HD2 ARG 19 1HD ARG 19 -3.296 -15.042 8.872
98 HD3 ARG 19 2HD ARG 19 -2.996 -15.454 7.184
99 HE ARG 19 HE ARG 19 -0.840 -15.959 7.740
100 HH11 ARG 19 1HH1 ARG 19 -2.215 -13.985 10.257
101 HH12 ARG 19 2HH1 ARG 19 -0.850 -14.148 11.310
102 HH21 ARG 19 1HH2 ARG 19 0.963 -16.181 9.118
103 HH22 ARG 19 2HH2 ARG 19 0.958 -15.397 10.662
104 H PHE 20 H PHE 20 -3.620 -11.572 4.361
105 HA PHE 20 HA PHE 20 -5.479 -10.250 6.144
106 HB2 PHE 20 1HB PHE 20 -4.716 -8.905 3.547
107 HB3 PHE 20 2HB PHE 20 -5.842 -8.309 4.762
108 HD1 PHE 20 1HD PHE 20 -2.278 -9.069 4.127
109 HD2 PHE 20 2HD PHE 20 -5.096 -7.024 6.576
110 HE1 PHE 20 1HE PHE 20 -0.439 -7.860 5.227
111 HE2 PHE 20 2HE PHE 20 -3.262 -5.811 7.679
112 HZ PHE 20 HZ PHE 20 -0.930 -6.228 7.005
113 H SER 21 H SER 21 -7.606 -9.827 4.955
114 HA SER 21 HA SER 21 -8.092 -12.065 3.101
115 HB2 SER 21 1HB SER 21 -10.054 -10.771 5.010
116 HB3 SER 21 2HB SER 21 -10.367 -12.167 3.979
117 HG SER 21 HG SER 21 -8.471 -12.029 6.089
118 H GLU 22 H GLU 22 -9.089 -8.755 3.910
119 HA GLU 22 HA GLU 22 -9.940 -8.422 1.108
120 HB2 GLU 22 1HB GLU 22 -11.640 -8.247 3.129
121 HB3 GLU 22 2HB GLU 22 -10.971 -6.626 3.259
122 HG2 GLU 22 1HG GLU 22 -12.979 -6.594 1.928
123 HG3 GLU 22 2HG GLU 22 -11.583 -6.193 0.928
124 H GLU 23 H GLU 23 -9.051 -6.809 -0.047
125 HA GLU 23 HA GLU 23 -6.670 -5.670 0.441
126 HB2 GLU 23 1HB GLU 23 -7.655 -5.371 -1.702
127 HB3 GLU 23 2HB GLU 23 -9.021 -4.492 -1.030
128 HG2 GLU 23 1HG GLU 23 -7.652 -2.601 -0.534
129 HG3 GLU 23 2HG GLU 23 -6.189 -3.486 -0.963
130 H ALA 24 H ALA 24 -9.782 -4.297 1.442
131 HA ALA 24 HA ALA 24 -8.900 -1.898 2.513
132 HB1 ALA 24 3HB ALA 24 -11.174 -1.977 2.467
133 HB2 ALA 24 1HB ALA 24 -11.238 -3.660 2.994
134 HB3 ALA 24 2HB ALA 24 -10.917 -2.380 4.165
135 H SER 25 H SER 25 -9.397 -4.977 4.247
136 HA SER 25 HA SER 25 -8.633 -4.317 6.763
137 HB2 SER 25 1HB SER 25 -8.324 -6.792 5.136
138 HB3 SER 25 2HB SER 25 -7.446 -6.711 6.663
139 HG SER 25 HG SER 25 -9.567 -7.598 6.876
140 H LEU 26 H LEU 26 -6.444 -5.081 4.078
141 HA LEU 26 HA LEU 26 -4.031 -4.952 5.461
142 HB2 LEU 26 1HB LEU 26 -3.953 -5.805 3.286
143 HB3 LEU 26 2HB LEU 26 -4.791 -4.408 2.613
144 HG LEU 26 HG LEU 26 -2.586 -3.170 3.427
145 HD11 LEU 26 1HD1 LEU 26 -1.855 -5.592 4.226
146 HD12 LEU 26 2HD1 LEU 26 -0.697 -4.422 3.594
147 HD13 LEU 26 3HD1 LEU 26 -1.316 -5.702 2.550
148 HD21 LEU 26 3HD2 LEU 26 -3.522 -4.337 0.961
149 HD22 LEU 26 1HD2 LEU 26 -1.759 -4.305 1.019
150 HD23 LEU 26 2HD2 LEU 26 -2.675 -2.813 1.235
151 H LYS 27 H LYS 27 -5.888 -2.377 3.887
152 HA LYS 27 HA LYS 27 -4.055 -0.294 4.259
153 HB2 LYS 27 1HB LYS 27 -6.985 -0.479 3.777
154 HB3 LYS 27 2HB LYS 27 -6.357 1.060 4.351
155 HG2 LYS 27 1HG LYS 27 -6.225 1.382 2.101
156 HG3 LYS 27 2HG LYS 27 -4.623 0.707 2.409
157 HD2 LYS 27 1HD LYS 27 -5.204 -1.379 1.538
158 HD3 LYS 27 2HD LYS 27 -6.934 -1.066 1.693
159 HE2 LYS 27 1HE LYS 27 -6.478 -0.891 -0.606
160 HE3 LYS 27 2HE LYS 27 -6.598 0.771 -0.031
161 HZ1 LYS 27 3HZ LYS 27 -4.222 -0.728 -0.888
162 HZ2 LYS 27 1HZ LYS 27 -4.043 0.517 0.243
163 HZ3 LYS 27 2HZ LYS 27 -4.696 0.847 -1.281
164 H ARG 28 H ARG 28 -6.914 -1.108 6.236
165 HA ARG 28 HA ARG 28 -6.651 0.731 8.241
166 HB2 ARG 28 1HB ARG 28 -8.425 -1.105 7.922
167 HB3 ARG 28 2HB ARG 28 -7.342 -2.134 8.848
168 HG2 ARG 28 1HG ARG 28 -7.639 -0.925 10.794
169 HG3 ARG 28 2HG ARG 28 -8.173 0.520 9.933
170 HD2 ARG 28 1HD ARG 28 -9.736 -2.054 10.040
171 HD3 ARG 28 2HD ARG 28 -9.983 -0.707 11.151
172 HE ARG 28 HE ARG 28 -10.151 0.076 8.403
173 HH11 ARG 28 1HH1 ARG 28 -11.908 -1.329 11.060
174 HH12 ARG 28 2HH1 ARG 28 -13.460 -0.853 10.456
175 HH21 ARG 28 1HH2 ARG 28 -12.189 0.709 7.597
176 HH22 ARG 28 2HH2 ARG 28 -13.619 0.306 8.486
177 H HIS 29 H HIS 29 -4.774 -2.186 7.747
178 HA HIS 29 HA HIS 29 -3.501 -2.174 10.295
179 HB2 HIS 29 1HB HIS 29 -3.356 -4.258 9.330
180 HB3 HIS 29 2HB HIS 29 -3.102 -3.610 7.712
181 HD1 HIS 29 1HD HIS 29 -1.314 -4.891 10.657
182 HD2 HIS 29 2HD HIS 29 -0.395 -2.775 7.202
183 HE1 HIS 29 1HE HIS 29 1.187 -5.022 10.434
184 H THR 30 H THR 30 -2.058 -1.577 7.088
185 HA THR 30 HA THR 30 0.319 -0.481 7.890
186 HB THR 30 HB THR 30 -0.620 -0.945 5.489
187 HG1 THR 30 1HG THR 30 0.990 0.832 4.799
188 HG21 THR 30 3HG2 THR 30 -2.361 0.773 5.549
189 HG22 THR 30 1HG2 THR 30 -1.189 1.108 4.275
190 HG23 THR 30 2HG2 THR 30 -1.134 2.017 5.785
191 H LEU 31 H LEU 31 -2.741 1.243 7.351
192 HA LEU 31 HA LEU 31 -1.827 3.829 7.856
193 HB2 LEU 31 1HB LEU 31 -3.960 3.617 6.912
194 HB3 LEU 31 2HB LEU 31 -4.500 2.507 8.169
195 HG LEU 31 HG LEU 31 -4.364 4.466 9.770
196 HD11 LEU 31 1HD1 LEU 31 -3.907 5.876 7.164
197 HD12 LEU 31 2HD1 LEU 31 -3.027 6.038 8.683
198 HD13 LEU 31 3HD1 LEU 31 -4.658 6.691 8.536
199 HD21 LEU 31 3HD2 LEU 31 -6.553 4.199 9.439
200 HD22 LEU 31 1HD2 LEU 31 -6.335 3.859 7.723
201 HD23 LEU 31 2HD2 LEU 31 -6.434 5.528 8.285
202 H GLN 32 H GLN 32 -2.877 1.295 10.060
203 HA GLN 32 HA GLN 32 -2.778 2.989 12.381
204 HB2 GLN 32 1HB GLN 32 -4.183 0.831 11.990
205 HB3 GLN 32 2HB GLN 32 -2.720 -0.009 12.489
206 HG2 GLN 32 1HG GLN 32 -4.254 0.289 14.349
207 HG3 GLN 32 2HG GLN 32 -2.746 1.163 14.614
208 HE21 GLN 32 1HE2 GLN 32 -5.872 1.764 13.034
209 HE22 GLN 32 2HE2 GLN 32 -6.117 3.325 13.734
210 H THR 33 H THR 33 -0.943 0.036 11.578
211 HA THR 33 HA THR 33 1.128 0.607 13.431
212 HB THR 33 HB THR 33 0.550 -1.689 12.606
213 HG1 THR 33 1HG THR 33 3.132 -0.617 12.712
214 HG21 THR 33 3HG2 THR 33 1.361 -2.459 10.492
215 HG22 THR 33 1HG2 THR 33 2.161 -0.921 10.174
216 HG23 THR 33 2HG2 THR 33 0.399 -1.011 10.193
217 H HIS 34 H HIS 34 1.005 0.760 9.874
218 HA HIS 34 HA HIS 34 3.547 2.191 9.840
219 HB2 HIS 34 1HB HIS 34 1.822 1.316 7.515
220 HB3 HIS 34 2HB HIS 34 3.481 1.902 7.429
221 HD1 HIS 34 1HD HIS 34 4.868 0.233 9.520
222 HD2 HIS 34 2HD HIS 34 2.019 -1.316 6.923
223 HE1 HIS 34 1HE HIS 34 5.320 -2.239 9.423
224 H SER 35 H SER 35 2.381 3.986 11.017
225 HA SER 35 HA SER 35 0.560 5.593 9.465
226 HB2 SER 35 1HB SER 35 0.660 7.147 11.377
227 HB3 SER 35 2HB SER 35 0.340 5.496 11.906
228 HG SER 35 HG SER 35 1.938 6.475 13.195
229 H ASP 36 H ASP 36 2.723 5.299 7.914
230 HA ASP 36 HA ASP 36 4.239 7.808 8.184
231 HB2 ASP 36 1HB ASP 36 4.891 5.175 6.886
232 HB3 ASP 36 2HB ASP 36 5.745 6.645 6.426
233 H LYS 37 H LYS 37 4.670 9.032 6.246
234 HA LYS 37 HA LYS 37 2.599 9.922 4.826
235 HB2 LYS 37 1HB LYS 37 4.112 10.635 3.065
236 HB3 LYS 37 2HB LYS 37 4.891 10.817 4.632
237 HG2 LYS 37 1HG LYS 37 5.344 8.297 3.128
238 HG3 LYS 37 2HG LYS 37 6.148 9.766 2.569
239 HD2 LYS 37 1HD LYS 37 7.121 10.082 4.789
240 HD3 LYS 37 2HD LYS 37 6.304 8.625 5.361
241 HE2 LYS 37 1HE LYS 37 7.545 7.479 3.383
242 HE3 LYS 37 2HE LYS 37 8.594 8.894 3.454
243 HZ1 LYS 37 3HZ LYS 37 8.950 6.679 4.912
244 HZ2 LYS 37 1HZ LYS 37 8.076 7.631 6.004
245 HZ3 LYS 37 2HZ LYS 37 9.528 8.206 5.355
246 H SER 38 H SER 38 1.464 9.467 2.954
247 HA SER 38 HA SER 38 1.937 6.825 1.745
248 HB2 SER 38 1HB SER 38 -0.453 6.407 1.666
249 HB3 SER 38 2HB SER 38 0.015 6.751 3.331
250 HG SER 38 HG SER 38 -0.918 8.722 3.198
251 H GLY 39 H GLY 39 0.999 6.579 -0.420
252 HA2 GLY 39 1HA GLY 39 0.258 7.410 -2.483
253 HA3 GLY 39 2HA GLY 39 0.316 9.038 -1.824
254 HA PRO 40 HA PRO 40 4.239 7.746 -4.313
255 HB2 PRO 40 1HB PRO 40 3.504 8.374 -6.850
256 HB3 PRO 40 2HB PRO 40 3.309 6.756 -6.166
257 HG2 PRO 40 1HG PRO 40 1.283 8.937 -6.476
258 HG3 PRO 40 2HG PRO 40 1.113 7.200 -6.788
259 HD2 PRO 40 1HD PRO 40 0.194 8.370 -4.526
260 HD3 PRO 40 2HD PRO 40 0.801 6.702 -4.559
261 H SER 41 H SER 41 1.915 10.364 -4.812
262 HA SER 41 HA SER 41 4.132 12.239 -5.245
263 HB2 SER 41 1HB SER 41 2.456 13.787 -6.107
264 HB3 SER 41 2HB SER 41 2.310 12.233 -6.927
265 HG SER 41 HG SER 41 0.567 11.748 -5.535
266 H SER 42 H SER 42 1.216 11.762 -3.289
267 HA SER 42 HA SER 42 1.738 14.064 -1.647
268 HB2 SER 42 1HB SER 42 -0.320 11.900 -1.705
269 HB3 SER 42 2HB SER 42 -0.107 12.813 -0.211
270 HG SER 42 HG SER 42 -0.809 13.788 -2.774
271 H GLY 43 H GLY 43 1.653 13.666 0.842
272 HA2 GLY 43 1HA GLY 43 2.414 11.643 2.337
273 HA3 GLY 43 2HA GLY 43 3.902 11.889 1.435
Start of MODEL 19
1 H1 GLY 1 H GLY 1 8.754 -12.424 -4.914
2 HA2 GLY 1 1HA GLY 1 10.263 -14.822 -5.299
3 HA3 GLY 1 2HA GLY 1 9.799 -14.614 -3.617
4 H SER 2 H SER 2 8.362 -14.469 -6.874
5 HA SER 2 HA SER 2 5.785 -15.269 -5.803
6 HB2 SER 2 1HB SER 2 4.980 -14.973 -8.111
7 HB3 SER 2 2HB SER 2 5.868 -13.553 -7.559
8 HG SER 2 HG SER 2 7.317 -15.538 -8.870
9 H SER 3 H SER 3 6.138 -17.375 -5.094
10 HA SER 3 HA SER 3 6.973 -19.352 -7.087
11 HB2 SER 3 1HB SER 3 6.580 -19.585 -4.095
12 HB3 SER 3 2HB SER 3 7.073 -20.914 -5.144
13 HG SER 3 HG SER 3 8.865 -19.877 -4.167
14 H GLY 4 H GLY 4 4.386 -18.874 -4.679
15 HA2 GLY 4 1HA GLY 4 2.778 -20.982 -5.793
16 HA3 GLY 4 2HA GLY 4 2.300 -19.862 -4.526
17 H SER 5 H SER 5 0.376 -20.429 -6.219
18 HA SER 5 HA SER 5 0.344 -18.302 -8.247
19 HB2 SER 5 1HB SER 5 -1.180 -20.883 -7.971
20 HB3 SER 5 2HB SER 5 -1.752 -19.595 -9.030
21 HG SER 5 HG SER 5 0.665 -19.767 -9.730
22 H SER 6 H SER 6 -1.686 -19.776 -5.728
23 HA SER 6 HA SER 6 -2.698 -17.189 -4.962
24 HB2 SER 6 1HB SER 6 -5.014 -17.570 -5.429
25 HB3 SER 6 2HB SER 6 -4.136 -17.893 -6.923
26 HG SER 6 HG SER 6 -5.542 -19.616 -5.281
27 H GLY 7 H GLY 7 -3.953 -17.258 -2.998
28 HA2 GLY 7 1HA GLY 7 -4.225 -19.784 -1.611
29 HA3 GLY 7 2HA GLY 7 -2.977 -18.732 -0.958
30 H ASN 8 H ASN 8 -4.150 -18.620 1.014
31 HA ASN 8 HA ASN 8 -6.798 -17.482 1.037
32 HB2 ASN 8 1HB ASN 8 -6.729 -17.749 3.402
33 HB3 ASN 8 2HB ASN 8 -5.923 -19.161 2.724
34 HD21 ASN 8 1HD2 ASN 8 -3.982 -19.654 3.465
35 HD22 ASN 8 2HD2 ASN 8 -2.969 -18.618 4.406
36 H GLY 9 H GLY 9 -3.542 -16.413 1.984
37 HA2 GLY 9 1HA GLY 9 -4.536 -13.717 2.485
38 HA3 GLY 9 2HA GLY 9 -2.903 -14.297 2.779
39 H ALA 10 H ALA 10 -5.113 -13.001 0.413
40 HA ALA 10 HA ALA 10 -3.220 -13.052 -1.749
41 HB1 ALA 10 3HB ALA 10 -5.794 -11.498 -1.520
42 HB2 ALA 10 1HB ALA 10 -4.885 -11.824 -2.996
43 HB3 ALA 10 2HB ALA 10 -5.657 -13.149 -2.124
44 H PHE 11 H PHE 11 -4.586 -10.507 0.332
45 HA PHE 11 HA PHE 11 -2.661 -8.583 -0.693
46 HB2 PHE 11 1HB PHE 11 -4.913 -8.330 1.307
47 HB3 PHE 11 2HB PHE 11 -3.854 -6.999 0.851
48 HD1 PHE 11 2HD PHE 11 -3.620 -6.845 -1.867
49 HD2 PHE 11 1HD PHE 11 -6.967 -8.315 0.312
50 HE1 PHE 11 2HE PHE 11 -5.083 -6.335 -3.778
51 HE2 PHE 11 1HE PHE 11 -8.436 -7.809 -1.595
52 HZ PHE 11 HZ PHE 11 -7.495 -6.816 -3.643
53 H PHE 12 H PHE 12 -0.678 -8.595 0.122
54 HA PHE 12 HA PHE 12 -0.351 -9.117 3.004
55 HB2 PHE 12 1HB PHE 12 1.955 -9.886 2.432
56 HB3 PHE 12 2HB PHE 12 0.685 -10.888 1.737
57 HD1 PHE 12 2HD PHE 12 -0.036 -10.234 -0.698
58 HD2 PHE 12 1HD PHE 12 3.681 -9.184 1.089
59 HE1 PHE 12 2HE PHE 12 0.948 -9.931 -2.932
60 HE2 PHE 12 1HE PHE 12 4.671 -8.878 -1.143
61 HZ PHE 12 HZ PHE 12 3.305 -9.253 -3.157
62 H CYS 13 H CYS 13 1.013 -7.799 4.190
63 HA CYS 13 HA CYS 13 1.260 -5.115 3.285
64 HB2 CYS 13 1HB CYS 13 0.916 -5.819 5.672
65 HB3 CYS 13 2HB CYS 13 2.588 -6.370 5.693
66 H ASN 14 H ASN 14 3.021 -3.968 2.611
67 HA ASN 14 HA ASN 14 5.232 -5.516 1.565
68 HB2 ASN 14 1HB ASN 14 5.899 -3.449 0.455
69 HB3 ASN 14 2HB ASN 14 4.179 -3.740 0.206
70 HD21 ASN 14 1HD2 ASN 14 2.744 -2.254 0.857
71 HD22 ASN 14 2HD2 ASN 14 3.151 -0.793 1.686
72 H GLU 15 H GLU 15 4.873 -2.694 3.713
73 HA GLU 15 HA GLU 15 7.538 -2.416 4.441
74 HB2 GLU 15 1HB GLU 15 5.114 -1.901 6.172
75 HB3 GLU 15 2HB GLU 15 6.721 -1.236 6.424
76 HG2 GLU 15 1HG GLU 15 5.680 0.518 5.399
77 HG3 GLU 15 2HG GLU 15 6.396 -0.298 4.011
78 H CYS 16 H CYS 16 4.983 -4.259 6.103
79 HA CYS 16 HA CYS 16 7.105 -5.779 7.473
80 HB2 CYS 16 1HB CYS 16 5.836 -5.894 9.411
81 HB3 CYS 16 2HB CYS 16 5.450 -4.278 8.830
82 H ASP 17 H ASP 17 6.112 -7.972 8.294
83 HA ASP 17 HA ASP 17 5.044 -9.288 5.909
84 HB2 ASP 17 1HB ASP 17 6.283 -10.459 8.410
85 HB3 ASP 17 2HB ASP 17 5.764 -11.383 7.002
86 H CYS 18 H CYS 18 2.946 -9.692 5.794
87 HA CYS 18 HA CYS 18 1.496 -10.893 7.927
88 HB2 CYS 18 1HB CYS 18 1.603 -8.371 8.499
89 HB3 CYS 18 2HB CYS 18 0.464 -8.171 7.173
90 HG CYS 18 HG CYS 18 -0.115 -10.167 9.892
91 H ARG 19 H ARG 19 -0.878 -11.115 7.335
92 HA ARG 19 HA ARG 19 -1.341 -10.979 4.448
93 HB2 ARG 19 1HB ARG 19 -1.793 -13.490 6.070
94 HB3 ARG 19 2HB ARG 19 -2.108 -13.282 4.353
95 HG2 ARG 19 1HG ARG 19 0.649 -12.789 5.339
96 HG3 ARG 19 2HG ARG 19 0.079 -14.456 5.233
97 HD2 ARG 19 1HD ARG 19 -0.200 -12.544 2.936
98 HD3 ARG 19 2HD ARG 19 1.283 -13.460 3.199
99 HE ARG 19 HE ARG 19 -1.075 -15.095 3.173
100 HH11 ARG 19 1HH1 ARG 19 1.354 -13.562 1.207
101 HH12 ARG 19 2HH1 ARG 19 1.172 -14.670 -0.113
102 HH21 ARG 19 1HH2 ARG 19 -1.324 -16.561 1.443
103 HH22 ARG 19 2HH2 ARG 19 -0.353 -16.375 0.023
104 H PHE 20 H PHE 20 -3.453 -10.670 3.867
105 HA PHE 20 HA PHE 20 -5.489 -10.749 5.976
106 HB2 PHE 20 1HB PHE 20 -5.174 -8.419 4.077
107 HB3 PHE 20 2HB PHE 20 -6.334 -8.564 5.394
108 HD1 PHE 20 2HD PHE 20 -5.622 -8.325 7.710
109 HD2 PHE 20 1HD PHE 20 -2.884 -7.839 4.489
110 HE1 PHE 20 2HE PHE 20 -4.026 -7.240 9.236
111 HE2 PHE 20 1HE PHE 20 -1.282 -6.753 6.009
112 HZ PHE 20 HZ PHE 20 -1.853 -6.451 8.386
113 H SER 21 H SER 21 -7.635 -10.995 5.233
114 HA SER 21 HA SER 21 -7.817 -12.430 2.735
115 HB2 SER 21 1HB SER 21 -9.027 -12.899 5.034
116 HB3 SER 21 2HB SER 21 -10.222 -11.773 4.391
117 HG SER 21 HG SER 21 -10.762 -13.871 3.786
118 H GLU 22 H GLU 22 -9.217 -9.477 4.121
119 HA GLU 22 HA GLU 22 -10.426 -8.796 1.561
120 HB2 GLU 22 1HB GLU 22 -11.456 -8.453 3.941
121 HB3 GLU 22 2HB GLU 22 -10.462 -7.003 3.962
122 HG2 GLU 22 1HG GLU 22 -11.638 -6.013 2.229
123 HG3 GLU 22 2HG GLU 22 -12.297 -7.549 1.668
124 H GLU 23 H GLU 23 -10.211 -6.400 0.921
125 HA GLU 23 HA GLU 23 -7.381 -5.877 0.581
126 HB2 GLU 23 1HB GLU 23 -8.652 -5.634 -1.400
127 HB3 GLU 23 2HB GLU 23 -9.878 -4.670 -0.589
128 HG2 GLU 23 1HG GLU 23 -8.386 -2.808 -0.406
129 HG3 GLU 23 2HG GLU 23 -7.042 -3.770 -1.021
130 H ALA 24 H ALA 24 -10.036 -4.678 2.444
131 HA ALA 24 HA ALA 24 -8.915 -2.119 3.048
132 HB1 ALA 24 3HB ALA 24 -11.381 -3.292 3.380
133 HB2 ALA 24 1HB ALA 24 -10.772 -3.166 5.030
134 HB3 ALA 24 2HB ALA 24 -10.886 -1.725 4.019
135 H SER 25 H SER 25 -9.229 -5.140 4.916
136 HA SER 25 HA SER 25 -8.048 -4.472 7.263
137 HB2 SER 25 1HB SER 25 -6.972 -6.894 7.046
138 HB3 SER 25 2HB SER 25 -8.710 -6.676 7.251
139 HG SER 25 HG SER 25 -8.403 -8.061 5.542
140 H LEU 26 H LEU 26 -6.501 -4.732 4.169
141 HA LEU 26 HA LEU 26 -3.820 -4.807 5.193
142 HB2 LEU 26 1HB LEU 26 -4.160 -5.780 3.067
143 HB3 LEU 26 2HB LEU 26 -4.994 -4.350 2.465
144 HG LEU 26 HG LEU 26 -2.778 -3.137 2.672
145 HD11 LEU 26 1HD1 LEU 26 -1.955 -5.247 4.098
146 HD12 LEU 26 2HD1 LEU 26 -0.857 -4.207 3.191
147 HD13 LEU 26 3HD1 LEU 26 -1.392 -5.739 2.501
148 HD21 LEU 26 3HD2 LEU 26 -2.235 -5.237 0.720
149 HD22 LEU 26 1HD2 LEU 26 -2.501 -3.509 0.486
150 HD23 LEU 26 2HD2 LEU 26 -3.878 -4.601 0.632
151 H LYS 27 H LYS 27 -5.589 -2.343 3.311
152 HA LYS 27 HA LYS 27 -3.779 -0.273 3.591
153 HB2 LYS 27 1HB LYS 27 -5.396 1.087 2.699
154 HB3 LYS 27 2HB LYS 27 -6.066 -0.484 2.278
155 HG2 LYS 27 1HG LYS 27 -7.573 -0.395 4.157
156 HG3 LYS 27 2HG LYS 27 -6.842 1.113 4.710
157 HD2 LYS 27 1HD LYS 27 -8.882 1.642 3.570
158 HD3 LYS 27 2HD LYS 27 -7.534 2.158 2.554
159 HE2 LYS 27 1HE LYS 27 -7.758 -0.003 1.312
160 HE3 LYS 27 2HE LYS 27 -9.225 -0.317 2.238
161 HZ1 LYS 27 3HZ LYS 27 -9.429 0.768 -0.061
162 HZ2 LYS 27 1HZ LYS 27 -8.923 2.187 0.710
163 HZ3 LYS 27 2HZ LYS 27 -10.340 1.412 1.211
164 H ARG 28 H ARG 28 -6.586 -0.992 5.661
165 HA ARG 28 HA ARG 28 -6.264 1.084 7.484
166 HB2 ARG 28 1HB ARG 28 -8.154 -0.698 7.228
167 HB3 ARG 28 2HB ARG 28 -7.194 -1.623 8.376
168 HG2 ARG 28 1HG ARG 28 -8.697 -0.512 9.732
169 HG3 ARG 28 2HG ARG 28 -7.265 0.516 9.814
170 HD2 ARG 28 1HD ARG 28 -8.197 2.099 8.332
171 HD3 ARG 28 2HD ARG 28 -9.478 0.994 7.838
172 HE ARG 28 HE ARG 28 -9.433 2.669 10.183
173 HH11 ARG 28 1HH1 ARG 28 -10.809 -0.155 8.681
174 HH12 ARG 28 2HH1 ARG 28 -12.246 -0.129 9.649
175 HH21 ARG 28 1HH2 ARG 28 -11.320 2.714 11.462
176 HH22 ARG 28 2HH2 ARG 28 -12.536 1.504 11.230
177 H HIS 29 H HIS 29 -4.969 -2.225 7.613
178 HA HIS 29 HA HIS 29 -3.668 -2.066 10.062
179 HB2 HIS 29 1HB HIS 29 -3.697 -4.214 9.220
180 HB3 HIS 29 2HB HIS 29 -3.272 -3.696 7.592
181 HD1 HIS 29 1HD HIS 29 -1.836 -5.035 10.681
182 HD2 HIS 29 2HD HIS 29 -0.453 -3.094 7.278
183 HE1 HIS 29 1HE HIS 29 0.651 -5.408 10.659
184 H THR 30 H THR 30 -2.457 -1.246 6.827
185 HA THR 30 HA THR 30 0.157 -0.571 7.569
186 HB THR 30 HB THR 30 -1.405 0.723 5.331
187 HG1 THR 30 1HG THR 30 0.198 -1.546 4.929
188 HG21 THR 30 3HG2 THR 30 0.622 1.286 4.387
189 HG22 THR 30 1HG2 THR 30 1.494 0.011 5.236
190 HG23 THR 30 2HG2 THR 30 0.992 1.463 6.102
191 H LEU 31 H LEU 31 -2.745 1.457 7.278
192 HA LEU 31 HA LEU 31 -1.566 3.916 7.860
193 HB2 LEU 31 1HB LEU 31 -4.306 2.793 8.029
194 HB3 LEU 31 2HB LEU 31 -3.993 4.300 8.888
195 HG LEU 31 HG LEU 31 -3.296 5.347 6.782
196 HD11 LEU 31 1HD1 LEU 31 -4.321 2.975 5.284
197 HD12 LEU 31 2HD1 LEU 31 -2.640 3.029 5.812
198 HD13 LEU 31 3HD1 LEU 31 -3.267 4.279 4.738
199 HD21 LEU 31 3HD2 LEU 31 -5.490 5.507 5.779
200 HD22 LEU 31 1HD2 LEU 31 -5.641 5.454 7.535
201 HD23 LEU 31 2HD2 LEU 31 -5.995 4.017 6.577
202 H GLN 32 H GLN 32 -3.230 1.676 10.080
203 HA GLN 32 HA GLN 32 -2.540 3.166 12.407
204 HB2 GLN 32 1HB GLN 32 -4.471 1.482 12.069
205 HB3 GLN 32 2HB GLN 32 -3.266 0.249 12.419
206 HG2 GLN 32 1HG GLN 32 -4.685 1.026 14.354
207 HG3 GLN 32 2HG GLN 32 -2.940 1.032 14.605
208 HE21 GLN 32 1HE2 GLN 32 -2.105 2.800 15.445
209 HE22 GLN 32 2HE2 GLN 32 -2.831 4.368 15.446
210 H THR 33 H THR 33 -1.515 -0.105 11.411
211 HA THR 33 HA THR 33 0.531 -0.437 13.234
212 HB THR 33 HB THR 33 0.588 -1.463 10.391
213 HG1 THR 33 1HG THR 33 -0.436 -2.950 12.546
214 HG21 THR 33 3HG2 THR 33 1.627 -3.441 11.824
215 HG22 THR 33 1HG2 THR 33 2.061 -2.108 12.892
216 HG23 THR 33 2HG2 THR 33 2.618 -2.114 11.219
217 H HIS 34 H HIS 34 0.799 0.825 9.911
218 HA HIS 34 HA HIS 34 3.401 1.987 10.661
219 HB2 HIS 34 1HB HIS 34 2.491 1.443 7.839
220 HB3 HIS 34 2HB HIS 34 4.124 1.773 8.410
221 HD1 HIS 34 1HD HIS 34 4.824 -0.223 10.355
222 HD2 HIS 34 2HD HIS 34 2.235 -1.168 7.246
223 HE1 HIS 34 1HE HIS 34 4.910 -2.728 10.146
224 H SER 35 H SER 35 2.201 3.798 11.563
225 HA SER 35 HA SER 35 0.671 5.471 9.780
226 HB2 SER 35 1HB SER 35 0.350 5.178 12.336
227 HB3 SER 35 2HB SER 35 1.681 6.327 12.483
228 HG SER 35 HG SER 35 -0.855 6.716 11.293
229 H ASP 36 H ASP 36 1.632 6.687 8.303
230 HA ASP 36 HA ASP 36 4.229 7.248 7.892
231 HB2 ASP 36 1HB ASP 36 1.841 9.028 7.411
232 HB3 ASP 36 2HB ASP 36 3.456 9.442 6.842
233 H LYS 37 H LYS 37 5.666 8.982 8.341
234 HA LYS 37 HA LYS 37 5.282 10.092 11.022
235 HB2 LYS 37 1HB LYS 37 7.686 10.505 11.004
236 HB3 LYS 37 2HB LYS 37 7.346 8.828 10.600
237 HG2 LYS 37 1HG LYS 37 8.037 9.062 8.432
238 HG3 LYS 37 2HG LYS 37 7.670 10.788 8.386
239 HD2 LYS 37 1HD LYS 37 10.020 10.655 8.388
240 HD3 LYS 37 2HD LYS 37 9.581 11.075 10.046
241 HE2 LYS 37 1HE LYS 37 11.219 9.390 10.227
242 HE3 LYS 37 2HE LYS 37 9.680 8.594 10.551
243 HZ1 LYS 37 3HZ LYS 37 9.996 8.347 7.858
244 HZ2 LYS 37 1HZ LYS 37 10.300 7.142 9.005
245 HZ3 LYS 37 2HZ LYS 37 11.564 8.120 8.451
246 H SER 38 H SER 38 3.767 11.283 8.999
247 HA SER 38 HA SER 38 4.947 13.529 7.803
248 HB2 SER 38 1HB SER 38 2.773 12.713 7.081
249 HB3 SER 38 2HB SER 38 2.079 13.074 8.662
250 HG SER 38 HG SER 38 2.529 14.726 6.540
251 H GLY 39 H GLY 39 5.213 15.632 8.438
252 HA2 GLY 39 1HA GLY 39 4.105 17.008 10.519
253 HA3 GLY 39 2HA GLY 39 5.411 16.100 11.266
254 HA PRO 40 HA PRO 40 6.826 20.068 8.933
255 HB2 PRO 40 1HB PRO 40 6.606 21.934 10.892
256 HB3 PRO 40 2HB PRO 40 5.320 21.613 9.723
257 HG2 PRO 40 1HG PRO 40 5.605 20.642 12.541
258 HG3 PRO 40 2HG PRO 40 4.163 21.253 11.708
259 HD2 PRO 40 1HD PRO 40 4.626 18.610 12.069
260 HD3 PRO 40 2HD PRO 40 3.769 19.244 10.650
261 H SER 41 H SER 41 7.541 18.162 11.546
262 HA SER 41 HA SER 41 9.917 19.594 12.403
263 HB2 SER 41 1HB SER 41 8.779 18.468 14.163
264 HB3 SER 41 2HB SER 41 8.664 16.975 13.232
265 HG SER 41 HG SER 41 11.185 18.053 13.849
266 H SER 42 H SER 42 9.291 16.316 11.137
267 HA SER 42 HA SER 42 11.747 15.368 10.661
268 HB2 SER 42 1HB SER 42 10.883 14.153 8.735
269 HB3 SER 42 2HB SER 42 9.645 14.227 9.988
270 HG SER 42 HG SER 42 9.092 14.774 7.670
271 H GLY 43 H GLY 43 10.108 17.730 8.574
272 HA2 GLY 43 1HA GLY 43 12.756 18.445 7.488
273 HA3 GLY 43 2HA GLY 43 11.376 18.234 6.421
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -3.196 -29.876 1.607
2 HA2 GLY 1 1HA GLY 1 -2.552 -30.687 -0.613
3 HA3 GLY 1 2HA GLY 1 -2.952 -29.091 -1.230
4 H SER 2 H SER 2 -1.167 -28.083 -1.849
5 HA SER 2 HA SER 2 1.428 -28.729 -1.026
6 HB2 SER 2 1HB SER 2 1.123 -27.595 -3.115
7 HB3 SER 2 2HB SER 2 0.319 -26.237 -2.328
8 HG SER 2 HG SER 2 2.222 -25.541 -1.545
9 H SER 3 H SER 3 2.534 -28.272 0.753
10 HA SER 3 HA SER 3 1.559 -27.139 3.026
11 HB2 SER 3 1HB SER 3 3.753 -28.374 2.743
12 HB3 SER 3 2HB SER 3 4.452 -26.849 2.198
13 HG SER 3 HG SER 3 4.813 -26.996 4.380
14 H GLY 4 H GLY 4 2.218 -25.099 4.138
15 HA2 GLY 4 1HA GLY 4 2.955 -22.800 3.926
16 HA3 GLY 4 2HA GLY 4 2.441 -22.847 2.246
17 H SER 5 H SER 5 1.716 -20.969 4.378
18 HA SER 5 HA SER 5 -0.764 -21.339 5.500
19 HB2 SER 5 1HB SER 5 -1.018 -18.877 5.415
20 HB3 SER 5 2HB SER 5 0.595 -19.357 5.943
21 HG SER 5 HG SER 5 -0.072 -18.660 3.275
22 H SER 6 H SER 6 -2.801 -21.484 4.794
23 HA SER 6 HA SER 6 -3.315 -21.704 1.992
24 HB2 SER 6 1HB SER 6 -5.118 -21.798 4.416
25 HB3 SER 6 2HB SER 6 -5.711 -22.011 2.769
26 HG SER 6 HG SER 6 -3.583 -23.566 3.776
27 H GLY 7 H GLY 7 -5.324 -20.576 1.063
28 HA2 GLY 7 1HA GLY 7 -4.848 -17.920 0.635
29 HA3 GLY 7 2HA GLY 7 -6.441 -18.647 0.479
30 H ASN 8 H ASN 8 -7.958 -18.372 2.100
31 HA ASN 8 HA ASN 8 -9.052 -17.040 3.612
32 HB2 ASN 8 1HB ASN 8 -7.887 -17.078 5.893
33 HB3 ASN 8 2HB ASN 8 -8.267 -18.636 5.165
34 HD21 ASN 8 1HD2 ASN 8 -5.754 -16.404 6.022
35 HD22 ASN 8 2HD2 ASN 8 -4.431 -17.492 5.799
36 H GLY 9 H GLY 9 -7.626 -15.476 1.796
37 HA2 GLY 9 1HA GLY 9 -7.128 -13.238 1.547
38 HA3 GLY 9 2HA GLY 9 -7.434 -13.031 3.265
39 H ALA 10 H ALA 10 -5.056 -13.423 0.819
40 HA ALA 10 HA ALA 10 -2.949 -13.165 2.862
41 HB1 ALA 10 3HB ALA 10 -1.498 -14.352 1.060
42 HB2 ALA 10 1HB ALA 10 -2.541 -15.309 2.112
43 HB3 ALA 10 2HB ALA 10 -3.049 -14.942 0.463
44 H PHE 11 H PHE 11 -2.732 -10.961 2.689
45 HA PHE 11 HA PHE 11 -1.861 -9.953 0.060
46 HB2 PHE 11 1HB PHE 11 -3.611 -8.738 2.155
47 HB3 PHE 11 2HB PHE 11 -2.600 -7.676 1.182
48 HD1 PHE 11 1HD PHE 11 -4.825 -10.622 0.613
49 HD2 PHE 11 2HD PHE 11 -3.631 -6.728 -0.623
50 HE1 PHE 11 1HE PHE 11 -6.503 -10.682 -1.185
51 HE2 PHE 11 2HE PHE 11 -5.307 -6.781 -2.423
52 HZ PHE 11 HZ PHE 11 -6.747 -8.760 -2.706
53 H PHE 12 H PHE 12 0.139 -9.167 -0.055
54 HA PHE 12 HA PHE 12 1.834 -9.196 2.250
55 HB2 PHE 12 1HB PHE 12 2.346 -9.617 -0.329
56 HB3 PHE 12 2HB PHE 12 2.718 -7.897 -0.282
57 HD1 PHE 12 1HD PHE 12 3.367 -10.865 1.892
58 HD2 PHE 12 2HD PHE 12 4.941 -7.422 -0.054
59 HE1 PHE 12 1HE PHE 12 5.598 -11.378 2.795
60 HE2 PHE 12 2HE PHE 12 7.174 -7.930 0.845
61 HZ PHE 12 HZ PHE 12 7.505 -9.911 2.270
62 H CYS 13 H CYS 13 2.124 -7.609 3.657
63 HA CYS 13 HA CYS 13 0.888 -5.086 3.413
64 HB2 CYS 13 1HB CYS 13 1.511 -6.277 5.560
65 HB3 CYS 13 2HB CYS 13 3.170 -5.764 5.271
66 H ASN 14 H ASN 14 2.029 -2.981 3.549
67 HA ASN 14 HA ASN 14 3.470 -2.353 1.343
68 HB2 ASN 14 1HB ASN 14 2.510 -0.732 3.002
69 HB3 ASN 14 2HB ASN 14 3.912 -1.028 4.025
70 HD21 ASN 14 1HD2 ASN 14 2.853 1.351 2.491
71 HD22 ASN 14 2HD2 ASN 14 4.224 1.927 1.611
72 H GLU 15 H GLU 15 4.900 -3.066 4.530
73 HA GLU 15 HA GLU 15 7.415 -3.720 3.139
74 HB2 GLU 15 1HB GLU 15 8.560 -3.079 5.279
75 HB3 GLU 15 2HB GLU 15 7.802 -1.744 4.423
76 HG2 GLU 15 1HG GLU 15 5.788 -2.237 5.993
77 HG3 GLU 15 2HG GLU 15 7.001 -3.051 6.980
78 H CYS 16 H CYS 16 5.740 -4.307 6.236
79 HA CYS 16 HA CYS 16 7.068 -6.756 6.742
80 HB2 CYS 16 1HB CYS 16 5.798 -6.880 8.669
81 HB3 CYS 16 2HB CYS 16 5.733 -5.151 8.340
82 H ASP 17 H ASP 17 5.395 -8.697 7.322
83 HA ASP 17 HA ASP 17 3.784 -9.185 4.907
84 HB2 ASP 17 1HB ASP 17 5.788 -10.427 4.545
85 HB3 ASP 17 2HB ASP 17 5.793 -11.028 6.201
86 H CYS 18 H CYS 18 1.872 -8.760 6.018
87 HA CYS 18 HA CYS 18 1.196 -10.696 8.135
88 HB2 CYS 18 1HB CYS 18 1.277 -8.239 8.785
89 HB3 CYS 18 2HB CYS 18 -0.119 -8.009 7.740
90 HG CYS 18 HG CYS 18 0.067 -9.642 10.711
91 H ARG 19 H ARG 19 -0.978 -11.497 8.171
92 HA ARG 19 HA ARG 19 -2.065 -11.798 5.481
93 HB2 ARG 19 1HB ARG 19 -2.484 -13.275 8.071
94 HB3 ARG 19 2HB ARG 19 -3.541 -13.523 6.688
95 HG2 ARG 19 1HG ARG 19 -1.509 -14.109 5.350
96 HG3 ARG 19 2HG ARG 19 -0.589 -14.064 6.856
97 HD2 ARG 19 1HD ARG 19 -3.062 -15.734 6.646
98 HD3 ARG 19 2HD ARG 19 -1.535 -16.325 5.992
99 HE ARG 19 HE ARG 19 -2.234 -16.005 8.781
100 HH11 ARG 19 1HH1 ARG 19 0.309 -16.441 6.444
101 HH12 ARG 19 2HH1 ARG 19 1.434 -17.085 7.594
102 HH21 ARG 19 1HH2 ARG 19 -0.763 -16.851 10.305
103 HH22 ARG 19 2HH2 ARG 19 0.823 -17.319 9.790
104 H PHE 20 H PHE 20 -3.951 -10.957 4.820
105 HA PHE 20 HA PHE 20 -5.704 -9.718 6.833
106 HB2 PHE 20 1HB PHE 20 -5.182 -8.521 4.112
107 HB3 PHE 20 2HB PHE 20 -6.026 -7.786 5.471
108 HD1 PHE 20 2HD PHE 20 -4.778 -6.952 7.404
109 HD2 PHE 20 1HD PHE 20 -2.798 -8.520 3.978
110 HE1 PHE 20 2HE PHE 20 -2.676 -5.913 8.148
111 HE2 PHE 20 1HE PHE 20 -0.692 -7.484 4.717
112 HZ PHE 20 HZ PHE 20 -0.630 -6.178 6.804
113 H SER 21 H SER 21 -7.907 -9.788 6.425
114 HA SER 21 HA SER 21 -8.851 -11.996 4.958
115 HB2 SER 21 1HB SER 21 -11.092 -11.177 5.513
116 HB3 SER 21 2HB SER 21 -10.031 -11.062 6.916
117 HG SER 21 HG SER 21 -10.423 -9.009 6.938
118 H GLU 22 H GLU 22 -8.771 -8.539 4.238
119 HA GLU 22 HA GLU 22 -9.032 -9.125 1.411
120 HB2 GLU 22 1HB GLU 22 -11.375 -8.860 2.284
121 HB3 GLU 22 2HB GLU 22 -10.963 -7.207 2.719
122 HG2 GLU 22 1HG GLU 22 -10.923 -6.494 0.553
123 HG3 GLU 22 2HG GLU 22 -10.491 -8.082 -0.078
124 H GLU 23 H GLU 23 -8.806 -7.076 0.094
125 HA GLU 23 HA GLU 23 -6.445 -5.792 0.623
126 HB2 GLU 23 1HB GLU 23 -7.632 -5.763 -1.556
127 HB3 GLU 23 2HB GLU 23 -8.779 -4.608 -0.891
128 HG2 GLU 23 1HG GLU 23 -7.058 -3.548 -2.279
129 HG3 GLU 23 2HG GLU 23 -7.042 -2.967 -0.615
130 H ALA 24 H ALA 24 -9.714 -4.649 1.405
131 HA ALA 24 HA ALA 24 -9.175 -2.153 2.403
132 HB1 ALA 24 3HB ALA 24 -11.250 -2.203 3.382
133 HB2 ALA 24 1HB ALA 24 -11.406 -3.513 2.210
134 HB3 ALA 24 2HB ALA 24 -11.084 -3.879 3.905
135 H SER 25 H SER 25 -9.225 -5.171 4.307
136 HA SER 25 HA SER 25 -8.543 -4.269 6.771
137 HB2 SER 25 1HB SER 25 -7.866 -6.767 5.283
138 HB3 SER 25 2HB SER 25 -7.065 -6.476 6.827
139 HG SER 25 HG SER 25 -9.821 -6.095 6.730
140 H LEU 26 H LEU 26 -6.075 -5.392 4.450
141 HA LEU 26 HA LEU 26 -3.809 -4.629 5.737
142 HB2 LEU 26 1HB LEU 26 -3.590 -5.779 3.699
143 HB3 LEU 26 2HB LEU 26 -4.498 -4.553 2.817
144 HG LEU 26 HG LEU 26 -2.611 -2.993 3.085
145 HD11 LEU 26 1HD1 LEU 26 -1.769 -4.087 5.193
146 HD12 LEU 26 2HD1 LEU 26 -0.537 -3.649 4.010
147 HD13 LEU 26 3HD1 LEU 26 -1.053 -5.328 4.164
148 HD21 LEU 26 3HD2 LEU 26 -1.044 -4.189 1.570
149 HD22 LEU 26 1HD2 LEU 26 -2.729 -4.271 1.057
150 HD23 LEU 26 2HD2 LEU 26 -1.976 -5.663 1.836
151 H LYS 27 H LYS 27 -5.352 -2.553 3.277
152 HA LYS 27 HA LYS 27 -3.987 -0.268 3.464
153 HB2 LYS 27 1HB LYS 27 -6.948 -0.710 3.290
154 HB3 LYS 27 2HB LYS 27 -6.307 0.926 3.348
155 HG2 LYS 27 1HG LYS 27 -5.112 0.626 1.325
156 HG3 LYS 27 2HG LYS 27 -5.408 -1.114 1.332
157 HD2 LYS 27 1HD LYS 27 -7.688 -0.833 0.819
158 HD3 LYS 27 2HD LYS 27 -7.650 0.886 1.220
159 HE2 LYS 27 1HE LYS 27 -6.012 -0.261 -1.021
160 HE3 LYS 27 2HE LYS 27 -7.685 0.242 -1.256
161 HZ1 LYS 27 3HZ LYS 27 -6.588 2.152 -1.787
162 HZ2 LYS 27 1HZ LYS 27 -5.311 1.873 -0.713
163 HZ3 LYS 27 2HZ LYS 27 -6.803 2.416 -0.130
164 H ARG 28 H ARG 28 -6.474 -1.239 5.809
165 HA ARG 28 HA ARG 28 -6.185 1.050 7.458
166 HB2 ARG 28 1HB ARG 28 -8.212 -0.261 7.550
167 HB3 ARG 28 2HB ARG 28 -7.311 -1.693 8.034
168 HG2 ARG 28 1HG ARG 28 -6.615 -0.334 10.087
169 HG3 ARG 28 2HG ARG 28 -7.915 0.768 9.630
170 HD2 ARG 28 1HD ARG 28 -9.371 -1.369 9.544
171 HD3 ARG 28 2HD ARG 28 -8.078 -2.092 10.502
172 HE ARG 28 HE ARG 28 -8.743 -0.834 12.309
173 HH11 ARG 28 1HH1 ARG 28 -10.344 0.297 9.432
174 HH12 ARG 28 2HH1 ARG 28 -11.442 1.326 10.290
175 HH21 ARG 28 1HH2 ARG 28 -10.183 0.517 13.450
176 HH22 ARG 28 2HH2 ARG 28 -11.349 1.451 12.576
177 H HIS 29 H HIS 29 -4.936 -2.269 7.724
178 HA HIS 29 HA HIS 29 -3.581 -2.025 10.130
179 HB2 HIS 29 1HB HIS 29 -3.666 -4.201 9.334
180 HB3 HIS 29 2HB HIS 29 -3.194 -3.734 7.703
181 HD1 HIS 29 1HD HIS 29 -1.771 -4.562 11.064
182 HD2 HIS 29 2HD HIS 29 -0.442 -3.633 7.239
183 HE1 HIS 29 1HE HIS 29 0.688 -5.086 11.061
184 H THR 30 H THR 30 -2.491 -1.229 6.857
185 HA THR 30 HA THR 30 0.168 -0.604 7.466
186 HB THR 30 HB THR 30 -1.515 0.721 5.333
187 HG1 THR 30 1HG THR 30 -1.253 -1.777 5.524
188 HG21 THR 30 3HG2 THR 30 0.631 0.921 4.149
189 HG22 THR 30 1HG2 THR 30 1.457 0.217 5.538
190 HG23 THR 30 2HG2 THR 30 0.654 1.780 5.689
191 H LEU 31 H LEU 31 -2.761 1.362 7.589
192 HA LEU 31 HA LEU 31 -1.378 3.792 8.208
193 HB2 LEU 31 1HB LEU 31 -3.459 4.047 7.151
194 HB3 LEU 31 2HB LEU 31 -4.256 2.945 8.271
195 HG LEU 31 HG LEU 31 -3.908 4.676 10.061
196 HD11 LEU 31 1HD1 LEU 31 -3.085 6.756 9.627
197 HD12 LEU 31 2HD1 LEU 31 -3.551 6.710 7.927
198 HD13 LEU 31 3HD1 LEU 31 -2.130 5.822 8.476
199 HD21 LEU 31 3HD2 LEU 31 -6.075 4.808 9.496
200 HD22 LEU 31 1HD2 LEU 31 -5.729 4.793 7.766
201 HD23 LEU 31 2HD2 LEU 31 -5.598 6.297 8.678
202 H GLN 32 H GLN 32 -3.110 1.336 10.072
203 HA GLN 32 HA GLN 32 -2.815 2.707 12.566
204 HB2 GLN 32 1HB GLN 32 -3.533 -0.161 11.944
205 HB3 GLN 32 2HB GLN 32 -3.595 0.555 13.549
206 HG2 GLN 32 1HG GLN 32 -5.110 1.813 11.310
207 HG3 GLN 32 2HG GLN 32 -5.748 0.377 12.108
208 HE21 GLN 32 1HE2 GLN 32 -6.146 0.485 14.386
209 HE22 GLN 32 2HE2 GLN 32 -6.513 2.000 15.130
210 H THR 33 H THR 33 -1.489 -0.432 11.509
211 HA THR 33 HA THR 33 0.448 -0.609 13.519
212 HB THR 33 HB THR 33 0.518 -1.844 10.759
213 HG1 THR 33 1HG THR 33 -1.297 -2.273 12.370
214 HG21 THR 33 3HG2 THR 33 1.984 -2.608 13.287
215 HG22 THR 33 1HG2 THR 33 2.709 -1.892 11.848
216 HG23 THR 33 2HG2 THR 33 2.007 -3.509 11.771
217 H HIS 34 H HIS 34 0.830 0.387 10.116
218 HA HIS 34 HA HIS 34 3.412 1.596 10.834
219 HB2 HIS 34 1HB HIS 34 2.404 1.095 8.037
220 HB3 HIS 34 2HB HIS 34 4.059 1.406 8.555
221 HD1 HIS 34 1HD HIS 34 5.476 -0.591 9.046
222 HD2 HIS 34 2HD HIS 34 1.434 -1.533 8.845
223 HE1 HIS 34 1HE HIS 34 5.363 -3.100 9.170
224 H SER 35 H SER 35 3.871 3.507 9.146
225 HA SER 35 HA SER 35 3.489 5.720 8.759
226 HB2 SER 35 1HB SER 35 0.726 4.656 8.128
227 HB3 SER 35 2HB SER 35 1.308 6.265 7.700
228 HG SER 35 HG SER 35 2.943 5.237 6.454
229 H ASP 36 H ASP 36 3.451 5.141 11.421
230 HA ASP 36 HA ASP 36 1.085 6.261 12.649
231 HB2 ASP 36 1HB ASP 36 2.519 6.037 14.760
232 HB3 ASP 36 2HB ASP 36 2.087 4.548 13.923
233 H LYS 37 H LYS 37 1.528 7.968 14.436
234 HA LYS 37 HA LYS 37 2.246 10.367 13.174
235 HB2 LYS 37 1HB LYS 37 2.034 11.387 15.401
236 HB3 LYS 37 2HB LYS 37 0.694 10.303 15.052
237 HG2 LYS 37 1HG LYS 37 2.107 8.547 16.329
238 HG3 LYS 37 2HG LYS 37 2.957 9.955 16.970
239 HD2 LYS 37 1HD LYS 37 -0.035 9.809 17.046
240 HD3 LYS 37 2HD LYS 37 0.938 9.003 18.280
241 HE2 LYS 37 1HE LYS 37 2.056 11.171 18.735
242 HE3 LYS 37 2HE LYS 37 0.961 11.939 17.587
243 HZ1 LYS 37 3HZ LYS 37 -0.562 10.455 19.410
244 HZ2 LYS 37 1HZ LYS 37 -0.529 12.133 19.192
245 HZ3 LYS 37 2HZ LYS 37 0.525 11.403 20.295
246 H SER 38 H SER 38 4.000 8.366 15.522
247 HA SER 38 HA SER 38 6.301 10.103 15.487
248 HB2 SER 38 1HB SER 38 5.594 8.765 17.496
249 HB3 SER 38 2HB SER 38 6.093 7.310 16.633
250 HG SER 38 HG SER 38 7.926 9.404 16.805
251 H GLY 39 H GLY 39 6.695 10.055 13.182
252 HA2 GLY 39 1HA GLY 39 8.142 7.609 12.367
253 HA3 GLY 39 2HA GLY 39 7.136 8.518 11.248
254 HA PRO 40 HA PRO 40 10.516 11.040 10.072
255 HB2 PRO 40 1HB PRO 40 9.417 13.516 9.888
256 HB3 PRO 40 2HB PRO 40 9.072 12.223 8.733
257 HG2 PRO 40 1HG PRO 40 7.454 13.153 11.073
258 HG3 PRO 40 2HG PRO 40 6.913 12.721 9.441
259 HD2 PRO 40 1HD PRO 40 6.690 11.030 11.544
260 HD3 PRO 40 2HD PRO 40 6.966 10.460 9.886
261 H SER 41 H SER 41 11.704 13.146 10.609
262 HA SER 41 HA SER 41 12.571 13.087 13.252
263 HB2 SER 41 1HB SER 41 12.799 15.283 11.184
264 HB3 SER 41 2HB SER 41 13.662 15.287 12.722
265 HG SER 41 HG SER 41 14.274 13.011 11.846
266 H SER 42 H SER 42 11.660 13.758 15.067
267 HA SER 42 HA SER 42 9.372 15.558 14.950
268 HB2 SER 42 1HB SER 42 10.444 13.610 16.930
269 HB3 SER 42 2HB SER 42 9.519 14.974 17.556
270 HG SER 42 HG SER 42 7.821 14.354 16.138
271 H GLY 43 H GLY 43 12.549 15.352 16.520
272 HA2 GLY 43 1HA GLY 43 13.730 17.597 16.425
273 HA3 GLY 43 2HA GLY 43 12.291 18.206 17.229