Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588798 | 2rv5 RC | 11485 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -7.630 0.995 -12.527
2 H2 GLY 1 2H GLY 1 -8.276 2.271 -11.725
3 H3 GLY 1 3H GLY 1 -9.179 0.931 -12.001
4 HA2 GLY 1 1HA GLY 1 -6.799 1.068 -10.261
5 HA3 GLY 1 2HA GLY 1 -8.478 0.984 -9.705
6 H SER 2 H SER 2 -7.731 -0.929 -8.528
7 HA SER 2 HA SER 2 -7.002 -3.359 -9.962
8 HB2 SER 2 1HB SER 2 -6.370 -2.824 -7.588
9 HB3 SER 2 2HB SER 2 -8.058 -3.134 -7.125
10 HG SER 2 HG SER 2 -6.678 -4.994 -6.929
11 H SER 3 H SER 3 -8.268 -5.365 -9.893
12 HA SER 3 HA SER 3 -11.049 -4.947 -10.783
13 HB2 SER 3 1HB SER 3 -9.518 -6.472 -11.998
14 HB3 SER 3 2HB SER 3 -9.454 -7.521 -10.566
15 HG SER 3 HG SER 3 -11.054 -8.180 -12.106
16 H GLY 4 H GLY 4 -12.803 -5.202 -9.543
17 HA2 GLY 4 1HA GLY 4 -14.160 -5.616 -7.710
18 HA3 GLY 4 2HA GLY 4 -13.094 -6.951 -7.281
19 H SER 5 H SER 5 -13.526 -6.318 -5.082
20 HA SER 5 HA SER 5 -13.011 -5.458 -3.059
21 HB2 SER 5 1HB SER 5 -10.733 -6.072 -3.900
22 HB3 SER 5 2HB SER 5 -10.487 -4.371 -4.326
23 HG SER 5 HG SER 5 -9.637 -4.741 -2.325
24 H SER 6 H SER 6 -12.217 -3.471 -1.836
25 HA SER 6 HA SER 6 -13.205 -0.884 -2.962
26 HB2 SER 6 1HB SER 6 -13.652 -1.858 -0.117
27 HB3 SER 6 2HB SER 6 -14.125 -0.282 -0.776
28 HG SER 6 HG SER 6 -15.869 -1.778 -0.759
29 H GLY 7 H GLY 7 -10.462 -2.351 -2.340
30 HA2 GLY 7 1HA GLY 7 -8.924 -0.008 -1.746
31 HA3 GLY 7 2HA GLY 7 -9.058 -1.013 -0.306
32 H TYR 8 H TYR 8 -6.650 -0.720 -0.917
33 HA TYR 8 HA TYR 8 -5.639 -2.912 -2.702
34 HB2 TYR 8 1HB TYR 8 -4.414 -0.196 -2.067
35 HB3 TYR 8 2HB TYR 8 -3.690 -1.447 -3.065
36 HD1 TYR 8 2HD TYR 8 -6.615 0.889 -2.872
37 HD2 TYR 8 1HD TYR 8 -4.174 -1.632 -5.386
38 HE1 TYR 8 2HE TYR 8 -7.796 1.752 -4.878
39 HE2 TYR 8 1HE TYR 8 -5.327 -0.726 -7.399
40 HH TYR 8 HH TYR 8 -7.978 1.673 -7.155
41 H VAL 9 H VAL 9 -3.732 -4.075 -1.965
42 HA VAL 9 HA VAL 9 -3.351 -3.926 0.996
43 HB VAL 9 HB VAL 9 -3.452 -6.470 -0.645
44 HG11 VAL 9 1HG1 VAL 9 -3.674 -7.531 1.606
45 HG12 VAL 9 2HG1 VAL 9 -2.147 -6.673 1.440
46 HG13 VAL 9 3HG1 VAL 9 -3.460 -5.939 2.367
47 HG21 VAL 9 3HG2 VAL 9 -5.629 -6.902 0.435
48 HG22 VAL 9 1HG2 VAL 9 -5.587 -5.292 1.178
49 HG23 VAL 9 2HG2 VAL 9 -5.720 -5.471 -0.589
50 H CYS 10 H CYS 10 -1.414 -4.179 1.870
51 HA CYS 10 HA CYS 10 1.032 -3.810 0.471
52 HB2 CYS 10 1HB CYS 10 0.476 -3.244 2.829
53 HB3 CYS 10 2HB CYS 10 0.496 -4.973 3.217
54 H ALA 11 H ALA 11 2.499 -5.158 -0.373
55 HA ALA 11 HA ALA 11 1.865 -8.019 -0.669
56 HB1 ALA 11 1HB ALA 11 2.604 -6.690 -2.607
57 HB2 ALA 11 2HB ALA 11 4.146 -6.341 -1.794
58 HB3 ALA 11 3HB ALA 11 3.737 -8.006 -2.253
59 H LEU 12 H LEU 12 3.422 -6.210 1.686
60 HA LEU 12 HA LEU 12 5.510 -8.265 2.277
61 HB2 LEU 12 1HB LEU 12 5.336 -5.380 3.215
62 HB3 LEU 12 2HB LEU 12 6.622 -6.531 3.505
63 HG LEU 12 HG LEU 12 6.922 -6.575 0.907
64 HD11 LEU 12 1HD1 LEU 12 4.938 -5.252 0.183
65 HD12 LEU 12 2HD1 LEU 12 6.409 -4.359 -0.168
66 HD13 LEU 12 3HD1 LEU 12 5.425 -3.916 1.236
67 HD21 LEU 12 3HD2 LEU 12 8.470 -5.574 2.554
68 HD22 LEU 12 1HD2 LEU 12 7.482 -4.101 2.558
69 HD23 LEU 12 2HD2 LEU 12 8.374 -4.569 1.092
70 H CYS 13 H CYS 13 3.285 -6.092 4.007
71 HA CYS 13 HA CYS 13 3.129 -8.054 6.250
72 HB2 CYS 13 1HB CYS 13 2.568 -6.332 7.747
73 HB3 CYS 13 2HB CYS 13 4.056 -5.951 6.901
74 H LEU 14 H LEU 14 1.293 -7.354 3.637
75 HA LEU 14 HA LEU 14 -0.803 -7.784 2.977
76 HB2 LEU 14 1HB LEU 14 -1.038 -9.654 5.321
77 HB3 LEU 14 2HB LEU 14 -1.884 -9.728 3.781
78 HG LEU 14 HG LEU 14 1.081 -10.244 4.262
79 HD11 LEU 14 1HD1 LEU 14 -1.171 -12.046 3.289
80 HD12 LEU 14 2HD1 LEU 14 -0.470 -12.047 4.924
81 HD13 LEU 14 3HD1 LEU 14 0.528 -12.512 3.538
82 HD21 LEU 14 3HD2 LEU 14 1.159 -10.921 1.852
83 HD22 LEU 14 1HD2 LEU 14 0.942 -9.190 2.077
84 HD23 LEU 14 2HD2 LEU 14 -0.451 -10.199 1.627
85 H LYS 15 H LYS 15 -0.513 -5.560 4.907
86 HA LYS 15 HA LYS 15 -3.132 -5.189 6.156
87 HB2 LYS 15 1HB LYS 15 -0.965 -4.259 7.001
88 HB3 LYS 15 2HB LYS 15 -0.876 -3.278 5.519
89 HG2 LYS 15 1HG LYS 15 -2.801 -1.973 6.183
90 HG3 LYS 15 2HG LYS 15 -3.188 -3.099 7.502
91 HD2 LYS 15 1HD LYS 15 -1.199 -2.440 8.740
92 HD3 LYS 15 2HD LYS 15 -0.594 -1.511 7.371
93 HE2 LYS 15 1HE LYS 15 -1.476 0.042 8.957
94 HE3 LYS 15 2HE LYS 15 -2.542 0.035 7.548
95 HZ1 LYS 15 3HZ LYS 15 -3.785 -0.017 9.647
96 HZ2 LYS 15 1HZ LYS 15 -3.075 -1.414 10.093
97 HZ3 LYS 15 2HZ LYS 15 -4.081 -1.378 8.802
98 H LYS 16 H LYS 16 -4.839 -3.948 5.429
99 HA LYS 16 HA LYS 16 -4.856 -3.222 2.554
100 HB2 LYS 16 1HB LYS 16 -6.502 -4.833 3.513
101 HB3 LYS 16 2HB LYS 16 -7.223 -3.510 4.436
102 HG2 LYS 16 1HG LYS 16 -7.924 -2.375 2.410
103 HG3 LYS 16 2HG LYS 16 -6.911 -3.421 1.401
104 HD2 LYS 16 1HD LYS 16 -8.289 -5.390 2.156
105 HD3 LYS 16 2HD LYS 16 -9.385 -4.250 2.968
106 HE2 LYS 16 1HE LYS 16 -9.874 -3.166 0.803
107 HE3 LYS 16 2HE LYS 16 -8.676 -4.192 -0.001
108 HZ1 LYS 16 3HZ LYS 16 -11.206 -5.135 1.240
109 HZ2 LYS 16 1HZ LYS 16 -10.052 -6.134 0.650
110 HZ3 LYS 16 2HZ LYS 16 -10.833 -5.129 -0.363
111 H PHE 17 H PHE 17 -5.612 -1.360 1.736
112 HA PHE 17 HA PHE 17 -5.727 1.090 3.435
113 HB2 PHE 17 1HB PHE 17 -3.961 0.571 1.000
114 HB3 PHE 17 2HB PHE 17 -4.206 2.151 1.731
115 HD1 PHE 17 2HD PHE 17 -3.441 2.625 4.060
116 HD2 PHE 17 1HD PHE 17 -2.469 -1.069 2.044
117 HE1 PHE 17 2HE PHE 17 -1.729 2.128 5.788
118 HE2 PHE 17 1HE PHE 17 -0.757 -1.551 3.768
119 HZ PHE 17 HZ PHE 17 -0.421 0.022 5.659
120 H VAL 18 H VAL 18 -6.726 2.886 2.497
121 HA VAL 18 HA VAL 18 -9.018 2.287 0.892
122 HB VAL 18 HB VAL 18 -8.911 3.929 2.734
123 HG11 VAL 18 1HG1 VAL 18 -7.517 5.790 0.764
124 HG12 VAL 18 2HG1 VAL 18 -8.090 6.191 2.392
125 HG13 VAL 18 3HG1 VAL 18 -6.761 5.046 2.191
126 HG21 VAL 18 3HG2 VAL 18 -10.770 3.966 1.094
127 HG22 VAL 18 1HG2 VAL 18 -10.430 5.549 1.816
128 HG23 VAL 18 2HG2 VAL 18 -9.898 5.205 0.161
129 H SER 19 H SER 19 -5.839 3.367 -0.079
130 HA SER 19 HA SER 19 -6.719 3.475 -2.891
131 HB2 SER 19 1HB SER 19 -6.380 5.645 -3.288
132 HB3 SER 19 2HB SER 19 -6.638 5.847 -1.547
133 HG SER 19 HG SER 19 -4.765 6.893 -2.372
134 H SER 20 H SER 20 -4.949 3.564 -4.443
135 HA SER 20 HA SER 20 -2.763 1.799 -3.832
136 HB2 SER 20 1HB SER 20 -1.998 2.404 -6.110
137 HB3 SER 20 2HB SER 20 -3.699 1.909 -6.055
138 HG SER 20 HG SER 20 -3.403 3.810 -7.313
139 H ILE 21 H ILE 21 -3.065 5.352 -3.851
140 HA ILE 21 HA ILE 21 -0.224 5.905 -3.529
141 HB ILE 21 HB ILE 21 -2.733 7.503 -2.922
142 HG12 ILE 21 1HG1 ILE 21 -2.281 7.159 -5.312
143 HG13 ILE 21 2HG1 ILE 21 -2.177 8.841 -4.831
144 HG21 ILE 21 1HG2 ILE 21 -1.222 9.491 -2.661
145 HG22 ILE 21 2HG2 ILE 21 -1.167 8.332 -1.331
146 HG23 ILE 21 3HG2 ILE 21 0.148 8.360 -2.528
147 HD11 ILE 21 3HD1 ILE 21 0.215 7.022 -5.359
148 HD12 ILE 21 1HD1 ILE 21 -0.420 8.272 -6.438
149 HD13 ILE 21 2HD1 ILE 21 0.301 8.735 -4.889
150 H ARG 22 H ARG 22 -2.932 5.467 -1.220
151 HA ARG 22 HA ARG 22 -1.313 5.910 1.144
152 HB2 ARG 22 1HB ARG 22 -4.022 4.621 0.642
153 HB3 ARG 22 2HB ARG 22 -3.238 4.512 2.217
154 HG2 ARG 22 1HG ARG 22 -4.688 6.356 2.356
155 HG3 ARG 22 2HG ARG 22 -3.041 7.004 2.288
156 HD2 ARG 22 1HD ARG 22 -3.435 7.555 -0.138
157 HD3 ARG 22 2HD ARG 22 -5.081 6.935 0.051
158 HE ARG 22 HE ARG 22 -5.715 8.838 1.178
159 HH11 ARG 22 2HH1 ARG 22 -2.214 8.951 0.971
160 HH12 ARG 22 1HH1 ARG 22 -2.155 10.610 1.499
161 HH21 ARG 22 2HH2 ARG 22 -5.555 10.937 1.855
162 HH22 ARG 22 1HH2 ARG 22 -3.996 11.694 1.991
163 H LEU 23 H LEU 23 -1.928 2.992 -0.762
164 HA LEU 23 HA LEU 23 -0.406 1.211 0.930
165 HB2 LEU 23 1HB LEU 23 -1.965 0.250 -0.565
166 HB3 LEU 23 2HB LEU 23 -1.380 1.187 -1.936
167 HG LEU 23 HG LEU 23 0.693 -0.091 -2.025
168 HD11 LEU 23 1HD1 LEU 23 1.026 -2.086 -0.683
169 HD12 LEU 23 2HD1 LEU 23 -0.461 -1.752 0.251
170 HD13 LEU 23 3HD1 LEU 23 0.950 -0.696 0.389
171 HD21 LEU 23 3HD2 LEU 23 -0.235 -2.229 -2.750
172 HD22 LEU 23 1HD2 LEU 23 -1.283 -0.895 -3.263
173 HD23 LEU 23 2HD2 LEU 23 -1.735 -1.905 -1.864
174 H ARG 24 H ARG 24 0.502 2.988 -2.107
175 HA ARG 24 HA ARG 24 3.167 2.066 -2.273
176 HB2 ARG 24 1HB ARG 24 1.843 4.695 -3.058
177 HB3 ARG 24 2HB ARG 24 3.536 4.390 -3.425
178 HG2 ARG 24 1HG ARG 24 3.073 2.614 -4.926
179 HG3 ARG 24 2HG ARG 24 1.441 2.383 -4.306
180 HD2 ARG 24 1HD ARG 24 1.224 3.464 -6.414
181 HD3 ARG 24 2HD ARG 24 0.819 4.649 -5.154
182 HE ARG 24 HE ARG 24 3.553 4.999 -5.700
183 HH11 ARG 24 2HH1 ARG 24 0.619 5.313 -7.589
184 HH12 ARG 24 1HH1 ARG 24 1.312 6.528 -8.627
185 HH21 ARG 24 2HH2 ARG 24 4.367 6.564 -7.053
186 HH22 ARG 24 1HH2 ARG 24 3.375 7.213 -8.323
187 H SER 25 H SER 25 2.013 5.005 -0.661
188 HA SER 25 HA SER 25 4.582 5.775 0.373
189 HB2 SER 25 1HB SER 25 1.729 6.519 1.069
190 HB3 SER 25 2HB SER 25 3.138 7.294 1.836
191 HG SER 25 HG SER 25 3.796 8.043 -0.175
192 H HIS 26 H HIS 26 1.993 3.752 1.863
193 HA HIS 26 HA HIS 26 3.006 3.582 4.500
194 HB2 HIS 26 1HB HIS 26 0.961 2.504 4.193
195 HB3 HIS 26 2HB HIS 26 1.443 1.731 2.703
196 HD1 HIS 26 1HD HIS 26 1.928 1.238 6.487
197 HD2 HIS 26 2HD HIS 26 2.533 -0.681 2.794
198 HE1 HIS 26 1HE HIS 26 2.468 -1.176 7.043
199 H ILE 27 H ILE 27 3.985 1.703 1.607
200 HA ILE 27 HA ILE 27 5.780 -0.027 2.947
201 HB ILE 27 HB ILE 27 5.997 0.960 0.083
202 HG12 ILE 27 1HG1 ILE 27 4.560 -1.562 1.035
203 HG13 ILE 27 2HG1 ILE 27 3.724 -0.060 0.688
204 HG21 ILE 27 1HG2 ILE 27 7.233 -1.055 -0.370
205 HG22 ILE 27 2HG2 ILE 27 8.007 -0.274 1.002
206 HG23 ILE 27 3HG2 ILE 27 6.945 -1.671 1.271
207 HD11 ILE 27 3HD1 ILE 27 3.545 -1.408 -1.263
208 HD12 ILE 27 1HD1 ILE 27 4.669 -0.079 -1.633
209 HD13 ILE 27 2HD1 ILE 27 5.290 -1.716 -1.305
210 H ARG 28 H ARG 28 6.293 3.255 1.702
211 HA ARG 28 HA ARG 28 9.184 3.188 2.116
212 HB2 ARG 28 1HB ARG 28 7.622 5.744 1.943
213 HB3 ARG 28 2HB ARG 28 9.235 5.362 1.337
214 HG2 ARG 28 1HG ARG 28 6.553 4.535 0.192
215 HG3 ARG 28 2HG ARG 28 7.682 5.671 -0.524
216 HD2 ARG 28 1HD ARG 28 9.171 3.987 -1.190
217 HD3 ARG 28 2HD ARG 28 8.484 2.775 -0.088
218 HE ARG 28 HE ARG 28 6.356 3.281 -1.656
219 HH11 ARG 28 2HH1 ARG 28 9.628 2.231 -2.370
220 HH12 ARG 28 1HH1 ARG 28 9.138 1.391 -3.824
221 HH21 ARG 28 2HH2 ARG 28 5.810 2.211 -3.530
222 HH22 ARG 28 1HH2 ARG 28 7.023 1.360 -4.440
223 H GLU 29 H GLU 29 6.405 4.318 3.980
224 HA GLU 29 HA GLU 29 7.878 5.667 6.048
225 HB2 GLU 29 1HB GLU 29 5.075 4.485 5.934
226 HB3 GLU 29 2HB GLU 29 5.713 5.321 7.354
227 HG2 GLU 29 1HG GLU 29 6.128 7.346 6.026
228 HG3 GLU 29 2HG GLU 29 5.508 6.557 4.581
229 H VAL 30 H VAL 30 6.725 2.263 5.830
230 HA VAL 30 HA VAL 30 8.137 1.752 8.426
231 HB VAL 30 HB VAL 30 6.552 0.241 9.040
232 HG11 VAL 30 1HG1 VAL 30 5.887 2.643 9.257
233 HG12 VAL 30 2HG1 VAL 30 4.961 2.488 7.744
234 HG13 VAL 30 3HG1 VAL 30 4.498 1.540 9.172
235 HG21 VAL 30 3HG2 VAL 30 6.054 -0.999 7.010
236 HG22 VAL 30 1HG2 VAL 30 4.576 -0.444 7.780
237 HG23 VAL 30 2HG2 VAL 30 5.186 0.397 6.338
238 H HIS 31 H HIS 31 7.907 0.500 5.153
239 HA HIS 31 HA HIS 31 9.647 -1.810 5.961
240 HB2 HIS 31 1HB HIS 31 8.225 -1.415 3.323
241 HB3 HIS 31 2HB HIS 31 9.100 -2.832 3.868
242 HD1 HIS 31 1HD HIS 31 7.835 -3.621 6.534
243 HD2 HIS 31 2HD HIS 31 5.724 -2.069 3.258
244 HE1 HIS 31 1HE HIS 31 5.436 -4.395 6.819
245 H GLY 32 H GLY 32 9.792 1.286 4.616
246 HA2 GLY 32 1HA GLY 32 11.515 2.573 3.882
247 HA3 GLY 32 2HA GLY 32 12.613 1.348 4.530
248 H ALA 33 H ALA 33 10.392 0.634 1.850
249 HA ALA 33 HA ALA 33 12.574 -0.227 0.169
250 HB1 ALA 33 1HB ALA 33 9.634 0.148 -0.502
251 HB2 ALA 33 2HB ALA 33 10.814 -0.818 -1.406
252 HB3 ALA 33 3HB ALA 33 10.344 -1.312 0.234
253 H ALA 34 H ALA 34 13.958 1.371 -0.505
254 HA ALA 34 HA ALA 34 12.956 3.839 -1.771
255 HB1 ALA 34 1HB ALA 34 15.768 2.935 -1.019
256 HB2 ALA 34 2HB ALA 34 15.260 4.576 -1.492
257 HB3 ALA 34 3HB ALA 34 14.681 3.880 0.023
258 H GLN 35 H GLN 35 15.464 3.939 -3.308
259 HA GLN 35 HA GLN 35 15.003 2.110 -5.607
260 HB2 GLN 35 1HB GLN 35 14.993 5.155 -5.795
261 HB3 GLN 35 2HB GLN 35 15.128 4.054 -7.169
262 HG2 GLN 35 1HG GLN 35 12.908 3.064 -6.580
263 HG3 GLN 35 2HG GLN 35 12.748 4.237 -5.267
264 HE21 GLN 35 1HE2 GLN 35 13.023 3.968 -8.859
265 HE22 GLN 35 2HE2 GLN 35 12.238 5.515 -9.156
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -12.210 -19.549 -7.260
2 H2 GLY 1 2H GLY 1 -10.968 -19.721 -6.207
3 H3 GLY 1 3H GLY 1 -11.203 -18.290 -6.970
4 HA2 GLY 1 1HA GLY 1 -13.042 -19.494 -5.004
5 HA3 GLY 1 2HA GLY 1 -11.936 -18.148 -4.677
6 H SER 2 H SER 2 -15.030 -18.557 -4.847
7 HA SER 2 HA SER 2 -15.903 -16.858 -7.019
8 HB2 SER 2 1HB SER 2 -17.447 -17.871 -4.608
9 HB3 SER 2 2HB SER 2 -18.131 -17.231 -6.114
10 HG SER 2 HG SER 2 -18.071 -19.531 -6.096
11 H SER 3 H SER 3 -14.807 -16.041 -3.848
12 HA SER 3 HA SER 3 -16.521 -13.862 -3.236
13 HB2 SER 3 1HB SER 3 -13.649 -14.312 -2.348
14 HB3 SER 3 2HB SER 3 -14.841 -13.249 -1.573
15 HG SER 3 HG SER 3 -14.708 -15.303 -0.543
16 H GLY 4 H GLY 4 -16.454 -11.697 -3.573
17 HA2 GLY 4 1HA GLY 4 -14.806 -10.556 -5.707
18 HA3 GLY 4 2HA GLY 4 -16.029 -9.730 -4.749
19 H SER 5 H SER 5 -13.793 -8.370 -5.343
20 HA SER 5 HA SER 5 -12.641 -7.820 -2.694
21 HB2 SER 5 1HB SER 5 -11.088 -9.486 -3.754
22 HB3 SER 5 2HB SER 5 -10.812 -8.331 -5.073
23 HG SER 5 HG SER 5 -9.232 -8.195 -3.381
24 H SER 6 H SER 6 -11.780 -5.735 -2.495
25 HA SER 6 HA SER 6 -11.651 -3.856 -4.711
26 HB2 SER 6 1HB SER 6 -14.102 -3.855 -4.137
27 HB3 SER 6 2HB SER 6 -13.678 -3.325 -2.497
28 HG SER 6 HG SER 6 -14.202 -1.578 -3.938
29 H GLY 7 H GLY 7 -10.589 -1.876 -4.081
30 HA2 GLY 7 1HA GLY 7 -9.125 -0.569 -2.773
31 HA3 GLY 7 2HA GLY 7 -9.379 -1.635 -1.397
32 H TYR 8 H TYR 8 -7.040 -1.324 -1.176
33 HA TYR 8 HA TYR 8 -5.380 -3.102 -2.929
34 HB2 TYR 8 1HB TYR 8 -4.627 -0.394 -1.767
35 HB3 TYR 8 2HB TYR 8 -3.600 -1.433 -2.748
36 HD1 TYR 8 2HD TYR 8 -6.582 0.774 -2.775
37 HD2 TYR 8 1HD TYR 8 -3.892 -1.598 -5.173
38 HE1 TYR 8 2HE TYR 8 -7.542 1.778 -4.836
39 HE2 TYR 8 1HE TYR 8 -4.843 -0.574 -7.240
40 HH TYR 8 HH TYR 8 -7.475 1.859 -7.129
41 H VAL 9 H VAL 9 -3.572 -4.148 -1.927
42 HA VAL 9 HA VAL 9 -3.472 -4.059 1.040
43 HB VAL 9 HB VAL 9 -3.563 -6.624 -0.585
44 HG11 VAL 9 1HG1 VAL 9 -3.366 -6.113 2.419
45 HG12 VAL 9 2HG1 VAL 9 -3.673 -7.699 1.677
46 HG13 VAL 9 3HG1 VAL 9 -2.143 -6.872 1.386
47 HG21 VAL 9 3HG2 VAL 9 -5.685 -7.079 0.592
48 HG22 VAL 9 1HG2 VAL 9 -5.612 -5.484 1.363
49 HG23 VAL 9 2HG2 VAL 9 -5.833 -5.625 -0.395
50 H CYS 10 H CYS 10 -1.507 -4.254 1.944
51 HA CYS 10 HA CYS 10 0.873 -3.815 0.436
52 HB2 CYS 10 1HB CYS 10 0.388 -3.072 2.748
53 HB3 CYS 10 2HB CYS 10 0.460 -4.754 3.296
54 H ALA 11 H ALA 11 2.149 -5.153 -0.621
55 HA ALA 11 HA ALA 11 1.745 -8.019 -0.632
56 HB1 ALA 11 1HB ALA 11 3.939 -6.300 -1.875
57 HB2 ALA 11 2HB ALA 11 3.585 -7.994 -2.270
58 HB3 ALA 11 3HB ALA 11 2.391 -6.736 -2.635
59 H LEU 12 H LEU 12 3.338 -6.099 1.614
60 HA LEU 12 HA LEU 12 5.452 -8.114 2.241
61 HB2 LEU 12 1HB LEU 12 5.229 -5.208 3.105
62 HB3 LEU 12 2HB LEU 12 6.524 -6.332 3.457
63 HG LEU 12 HG LEU 12 6.873 -6.473 0.876
64 HD11 LEU 12 1HD1 LEU 12 5.305 -3.844 1.062
65 HD12 LEU 12 2HD1 LEU 12 4.896 -5.230 0.038
66 HD13 LEU 12 3HD1 LEU 12 6.348 -4.302 -0.295
67 HD21 LEU 12 3HD2 LEU 12 8.303 -4.463 0.996
68 HD22 LEU 12 1HD2 LEU 12 8.361 -5.368 2.524
69 HD23 LEU 12 2HD2 LEU 12 7.362 -3.907 2.399
70 H CYS 13 H CYS 13 3.199 -5.939 3.942
71 HA CYS 13 HA CYS 13 3.135 -7.845 6.232
72 HB2 CYS 13 1HB CYS 13 2.604 -6.122 7.708
73 HB3 CYS 13 2HB CYS 13 4.034 -5.710 6.781
74 H LEU 14 H LEU 14 1.159 -7.267 3.666
75 HA LEU 14 HA LEU 14 -0.962 -7.728 3.135
76 HB2 LEU 14 1HB LEU 14 -0.606 -9.655 5.428
77 HB3 LEU 14 2HB LEU 14 -2.059 -9.624 4.464
78 HG LEU 14 HG LEU 14 -0.592 -11.380 3.759
79 HD11 LEU 14 1HD1 LEU 14 -0.656 -11.029 1.375
80 HD12 LEU 14 2HD1 LEU 14 -0.752 -9.273 1.574
81 HD13 LEU 14 3HD1 LEU 14 -2.098 -10.304 2.106
82 HD21 LEU 14 3HD2 LEU 14 1.507 -11.099 2.656
83 HD22 LEU 14 1HD2 LEU 14 1.616 -10.300 4.234
84 HD23 LEU 14 2HD2 LEU 14 1.411 -9.333 2.752
85 H LYS 15 H LYS 15 -0.573 -5.489 5.097
86 HA LYS 15 HA LYS 15 -3.179 -5.070 6.330
87 HB2 LYS 15 1HB LYS 15 -1.118 -3.864 7.059
88 HB3 LYS 15 2HB LYS 15 -1.012 -3.158 5.424
89 HG2 LYS 15 1HG LYS 15 -3.097 -1.959 5.777
90 HG3 LYS 15 2HG LYS 15 -3.384 -2.790 7.320
91 HD2 LYS 15 1HD LYS 15 -1.407 -1.651 8.272
92 HD3 LYS 15 2HD LYS 15 -1.112 -0.839 6.729
93 HE2 LYS 15 1HE LYS 15 -3.598 -0.577 8.489
94 HE3 LYS 15 2HE LYS 15 -2.301 0.607 8.322
95 HZ1 LYS 15 3HZ LYS 15 -4.193 1.209 6.935
96 HZ2 LYS 15 1HZ LYS 15 -4.170 -0.217 6.141
97 HZ3 LYS 15 2HZ LYS 15 -2.938 0.837 5.954
98 H LYS 16 H LYS 16 -4.964 -4.042 5.533
99 HA LYS 16 HA LYS 16 -5.158 -3.537 2.633
100 HB2 LYS 16 1HB LYS 16 -6.761 -4.966 3.940
101 HB3 LYS 16 2HB LYS 16 -7.372 -3.498 4.715
102 HG2 LYS 16 1HG LYS 16 -8.150 -2.632 2.572
103 HG3 LYS 16 2HG LYS 16 -7.301 -3.916 1.691
104 HD2 LYS 16 1HD LYS 16 -8.735 -5.602 2.919
105 HD3 LYS 16 2HD LYS 16 -9.698 -4.255 3.547
106 HE2 LYS 16 1HE LYS 16 -9.181 -4.825 0.589
107 HE3 LYS 16 2HE LYS 16 -10.589 -5.430 1.463
108 HZ1 LYS 16 3HZ LYS 16 -10.995 -3.361 0.227
109 HZ2 LYS 16 1HZ LYS 16 -9.961 -2.541 1.190
110 HZ3 LYS 16 2HZ LYS 16 -11.329 -3.184 1.827
111 H PHE 17 H PHE 17 -5.987 -1.733 1.698
112 HA PHE 17 HA PHE 17 -5.942 0.878 3.134
113 HB2 PHE 17 1HB PHE 17 -4.360 0.081 0.653
114 HB3 PHE 17 2HB PHE 17 -4.591 1.741 1.169
115 HD1 PHE 17 1HD PHE 17 -2.918 -1.458 1.965
116 HD2 PHE 17 2HD PHE 17 -3.476 2.654 3.135
117 HE1 PHE 17 1HE PHE 17 -1.016 -1.639 3.534
118 HE2 PHE 17 2HE PHE 17 -1.498 2.501 4.631
119 HZ PHE 17 HZ PHE 17 -0.301 0.331 4.863
120 H VAL 18 H VAL 18 -6.994 2.568 2.139
121 HA VAL 18 HA VAL 18 -9.303 1.944 0.505
122 HB VAL 18 HB VAL 18 -9.380 3.523 2.347
123 HG11 VAL 18 1HG1 VAL 18 -7.608 5.390 0.698
124 HG12 VAL 18 2HG1 VAL 18 -8.460 5.800 2.193
125 HG13 VAL 18 3HG1 VAL 18 -7.177 4.595 2.232
126 HG21 VAL 18 3HG2 VAL 18 -9.969 4.982 -0.252
127 HG22 VAL 18 1HG2 VAL 18 -11.005 3.736 0.484
128 HG23 VAL 18 2HG2 VAL 18 -10.703 5.259 1.337
129 H SER 19 H SER 19 -6.127 3.301 -0.219
130 HA SER 19 HA SER 19 -6.740 3.327 -3.114
131 HB2 SER 19 1HB SER 19 -7.348 5.568 -2.453
132 HB3 SER 19 2HB SER 19 -5.838 5.770 -1.554
133 HG SER 19 HG SER 19 -5.897 6.708 -3.723
134 H SER 20 H SER 20 -4.858 3.335 -4.449
135 HA SER 20 HA SER 20 -2.657 1.803 -3.445
136 HB2 SER 20 1HB SER 20 -1.669 2.227 -5.686
137 HB3 SER 20 2HB SER 20 -3.331 1.620 -5.746
138 HG SER 20 HG SER 20 -3.078 3.362 -7.176
139 H ILE 21 H ILE 21 -3.099 5.317 -3.835
140 HA ILE 21 HA ILE 21 -0.344 6.059 -3.477
141 HB ILE 21 HB ILE 21 -2.956 7.533 -3.016
142 HG12 ILE 21 1HG1 ILE 21 -2.153 8.950 -4.879
143 HG13 ILE 21 2HG1 ILE 21 -0.689 7.984 -5.020
144 HG21 ILE 21 1HG2 ILE 21 -1.562 9.613 -2.746
145 HG22 ILE 21 2HG2 ILE 21 -1.427 8.504 -1.386
146 HG23 ILE 21 3HG2 ILE 21 -0.124 8.578 -2.593
147 HD11 ILE 21 3HD1 ILE 21 -3.498 6.898 -5.491
148 HD12 ILE 21 1HD1 ILE 21 -2.441 7.546 -6.761
149 HD13 ILE 21 2HD1 ILE 21 -1.948 6.100 -5.876
150 H ARG 22 H ARG 22 -2.931 5.442 -1.106
151 HA ARG 22 HA ARG 22 -1.473 6.177 1.273
152 HB2 ARG 22 1HB ARG 22 -3.636 4.044 0.964
153 HB3 ARG 22 2HB ARG 22 -3.142 4.807 2.459
154 HG2 ARG 22 1HG ARG 22 -4.535 6.201 0.141
155 HG3 ARG 22 2HG ARG 22 -5.289 5.641 1.624
156 HD2 ARG 22 1HD ARG 22 -3.209 7.817 1.394
157 HD3 ARG 22 2HD ARG 22 -4.921 8.070 1.646
158 HE ARG 22 HE ARG 22 -2.929 7.233 3.639
159 HH11 ARG 22 2HH1 ARG 22 -6.376 7.493 3.046
160 HH12 ARG 22 1HH1 ARG 22 -6.760 7.392 4.742
161 HH21 ARG 22 2HH2 ARG 22 -3.497 7.115 5.776
162 HH22 ARG 22 1HH2 ARG 22 -5.172 7.189 6.239
163 H LEU 23 H LEU 23 -1.756 3.112 -0.497
164 HA LEU 23 HA LEU 23 -0.101 1.573 1.273
165 HB2 LEU 23 1HB LEU 23 -1.744 0.489 -0.068
166 HB3 LEU 23 2HB LEU 23 -1.148 1.232 -1.552
167 HG LEU 23 HG LEU 23 0.890 -0.078 -1.476
168 HD11 LEU 23 1HD1 LEU 23 -0.250 -1.555 0.928
169 HD12 LEU 23 2HD1 LEU 23 1.044 -0.353 1.053
170 HD13 LEU 23 3HD1 LEU 23 1.322 -1.806 0.119
171 HD21 LEU 23 3HD2 LEU 23 -1.069 -0.999 -2.622
172 HD22 LEU 23 1HD2 LEU 23 -1.615 -1.767 -1.114
173 HD23 LEU 23 2HD2 LEU 23 -0.108 -2.298 -1.893
174 H ARG 24 H ARG 24 0.609 3.247 -1.853
175 HA ARG 24 HA ARG 24 3.267 2.324 -2.220
176 HB2 ARG 24 1HB ARG 24 1.841 4.921 -2.933
177 HB3 ARG 24 2HB ARG 24 3.510 4.643 -3.417
178 HG2 ARG 24 1HG ARG 24 2.979 2.802 -4.817
179 HG3 ARG 24 2HG ARG 24 1.362 2.615 -4.136
180 HD2 ARG 24 1HD ARG 24 0.742 4.856 -5.039
181 HD3 ARG 24 2HD ARG 24 2.344 4.973 -5.795
182 HE ARG 24 HE ARG 24 1.185 2.536 -6.645
183 HH11 ARG 24 2HH1 ARG 24 0.564 5.949 -7.129
184 HH12 ARG 24 1HH1 ARG 24 -0.245 5.679 -8.649
185 HH21 ARG 24 2HH2 ARG 24 0.158 2.268 -8.602
186 HH22 ARG 24 1HH2 ARG 24 -0.453 3.650 -9.458
187 H SER 25 H SER 25 2.181 5.207 -0.456
188 HA SER 25 HA SER 25 4.852 5.926 0.431
189 HB2 SER 25 1HB SER 25 2.050 6.822 1.150
190 HB3 SER 25 2HB SER 25 3.510 7.521 1.905
191 HG SER 25 HG SER 25 2.819 8.703 0.049
192 H HIS 26 H HIS 26 2.230 3.994 1.957
193 HA HIS 26 HA HIS 26 3.330 3.760 4.572
194 HB2 HIS 26 1HB HIS 26 1.212 2.831 4.345
195 HB3 HIS 26 2HB HIS 26 1.577 2.041 2.828
196 HD1 HIS 26 1HD HIS 26 1.898 1.416 6.575
197 HD2 HIS 26 2HD HIS 26 2.713 -0.397 2.868
198 HE1 HIS 26 1HE HIS 26 2.355 -1.028 7.085
199 H ILE 27 H ILE 27 4.132 1.893 1.593
200 HA ILE 27 HA ILE 27 5.899 0.080 2.892
201 HB ILE 27 HB ILE 27 6.045 1.064 0.021
202 HG12 ILE 27 1HG1 ILE 27 4.666 -1.470 1.028
203 HG13 ILE 27 2HG1 ILE 27 3.799 0.022 0.740
204 HG21 ILE 27 1HG2 ILE 27 7.270 -0.965 -0.458
205 HG22 ILE 27 2HG2 ILE 27 8.090 -0.181 0.887
206 HG23 ILE 27 3HG2 ILE 27 7.031 -1.567 1.197
207 HD11 ILE 27 3HD1 ILE 27 4.604 0.033 -1.629
208 HD12 ILE 27 1HD1 ILE 27 5.291 -1.586 -1.353
209 HD13 ILE 27 2HD1 ILE 27 3.544 -1.333 -1.210
210 H ARG 28 H ARG 28 6.509 3.367 1.657
211 HA ARG 28 HA ARG 28 9.402 3.156 1.987
212 HB2 ARG 28 1HB ARG 28 7.959 5.791 1.891
213 HB3 ARG 28 2HB ARG 28 9.544 5.360 1.256
214 HG2 ARG 28 1HG ARG 28 6.818 4.675 0.147
215 HG3 ARG 28 2HG ARG 28 7.995 5.755 -0.577
216 HD2 ARG 28 1HD ARG 28 9.393 3.959 -1.260
217 HD3 ARG 28 2HD ARG 28 8.550 2.780 -0.231
218 HE ARG 28 HE ARG 28 6.508 3.530 -1.745
219 HH11 ARG 28 2HH1 ARG 28 9.699 2.414 -2.748
220 HH12 ARG 28 1HH1 ARG 28 9.092 1.844 -4.282
221 HH21 ARG 28 2HH2 ARG 28 5.845 2.802 -3.715
222 HH22 ARG 28 1HH2 ARG 28 6.969 2.030 -4.797
223 H GLU 29 H GLU 29 6.771 4.407 3.977
224 HA GLU 29 HA GLU 29 8.514 5.463 6.061
225 HB2 GLU 29 1HB GLU 29 5.527 4.894 5.927
226 HB3 GLU 29 2HB GLU 29 6.314 5.653 7.308
227 HG2 GLU 29 1HG GLU 29 6.343 6.794 4.478
228 HG3 GLU 29 2HG GLU 29 5.213 7.259 5.742
229 H VAL 30 H VAL 30 6.786 2.381 5.631
230 HA VAL 30 HA VAL 30 7.572 1.536 8.379
231 HB VAL 30 HB VAL 30 5.475 0.364 6.518
232 HG11 VAL 30 1HG1 VAL 30 6.196 -1.284 8.187
233 HG12 VAL 30 2HG1 VAL 30 6.005 -0.085 9.486
234 HG13 VAL 30 3HG1 VAL 30 4.591 -0.684 8.593
235 HG21 VAL 30 3HG2 VAL 30 3.857 1.479 8.088
236 HG22 VAL 30 1HG2 VAL 30 5.223 2.309 8.858
237 HG23 VAL 30 2HG2 VAL 30 4.814 2.633 7.160
238 H HIS 31 H HIS 31 7.996 0.529 5.006
239 HA HIS 31 HA HIS 31 9.602 -1.823 5.951
240 HB2 HIS 31 1HB HIS 31 8.232 -1.453 3.281
241 HB3 HIS 31 2HB HIS 31 9.047 -2.894 3.874
242 HD1 HIS 31 1HD HIS 31 7.727 -3.454 6.602
243 HD2 HIS 31 2HD HIS 31 5.710 -2.034 3.206
244 HE1 HIS 31 1HE HIS 31 5.296 -4.104 6.916
245 H GLY 32 H GLY 32 9.923 1.220 4.464
246 HA2 GLY 32 1HA GLY 32 11.798 2.368 3.904
247 HA3 GLY 32 2HA GLY 32 12.773 0.991 4.433
248 H ALA 33 H ALA 33 10.452 0.710 1.764
249 HA ALA 33 HA ALA 33 12.571 -0.049 -0.079
250 HB1 ALA 33 1HB ALA 33 10.815 -0.599 -1.588
251 HB2 ALA 33 2HB ALA 33 10.359 -1.164 0.036
252 HB3 ALA 33 3HB ALA 33 9.632 0.325 -0.645
253 H ALA 34 H ALA 34 13.383 2.225 0.464
254 HA ALA 34 HA ALA 34 12.921 4.045 -1.867
255 HB1 ALA 34 1HB ALA 34 13.080 5.961 -0.332
256 HB2 ALA 34 2HB ALA 34 11.756 4.887 0.153
257 HB3 ALA 34 3HB ALA 34 13.297 4.855 1.044
258 H GLN 35 H GLN 35 15.010 1.970 -1.067
259 HA GLN 35 HA GLN 35 17.492 3.301 -0.450
260 HB2 GLN 35 1HB GLN 35 17.076 0.528 -1.631
261 HB3 GLN 35 2HB GLN 35 18.514 1.124 -0.808
262 HG2 GLN 35 1HG GLN 35 15.780 0.598 0.431
263 HG3 GLN 35 2HG GLN 35 17.241 -0.338 0.670
264 HE21 GLN 35 1HE2 GLN 35 15.348 1.526 2.440
265 HE22 GLN 35 2HE2 GLN 35 16.555 2.400 3.389
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -18.659 -9.681 -8.477
2 H2 GLY 1 2H GLY 1 -17.279 -9.668 -7.591
3 H3 GLY 1 3H GLY 1 -18.314 -10.932 -7.475
4 HA2 GLY 1 1HA GLY 1 -17.894 -11.576 -9.753
5 HA3 GLY 1 2HA GLY 1 -16.794 -10.192 -9.895
6 H SER 2 H SER 2 -16.379 -13.195 -10.097
7 HA SER 2 HA SER 2 -14.999 -14.258 -7.908
8 HB2 SER 2 1HB SER 2 -14.468 -14.783 -10.857
9 HB3 SER 2 2HB SER 2 -14.009 -15.831 -9.500
10 HG SER 2 HG SER 2 -15.982 -16.494 -10.483
11 H SER 3 H SER 3 -12.994 -14.173 -7.103
12 HA SER 3 HA SER 3 -11.021 -13.303 -6.489
13 HB2 SER 3 1HB SER 3 -10.372 -13.283 -9.446
14 HB3 SER 3 2HB SER 3 -9.213 -13.258 -8.104
15 HG SER 3 HG SER 3 -9.534 -15.376 -8.935
16 H GLY 4 H GLY 4 -13.192 -11.258 -7.258
17 HA2 GLY 4 1HA GLY 4 -11.759 -8.809 -7.897
18 HA3 GLY 4 2HA GLY 4 -13.415 -8.953 -7.314
19 H SER 5 H SER 5 -11.884 -6.893 -6.436
20 HA SER 5 HA SER 5 -11.661 -7.406 -3.531
21 HB2 SER 5 1HB SER 5 -9.502 -6.252 -3.377
22 HB3 SER 5 2HB SER 5 -9.384 -7.730 -4.343
23 HG SER 5 HG SER 5 -8.302 -5.938 -5.316
24 H SER 6 H SER 6 -11.740 -5.547 -2.215
25 HA SER 6 HA SER 6 -13.121 -3.203 -3.432
26 HB2 SER 6 1HB SER 6 -14.197 -2.978 -1.219
27 HB3 SER 6 2HB SER 6 -14.520 -4.530 -2.007
28 HG SER 6 HG SER 6 -14.000 -4.892 0.136
29 H GLY 7 H GLY 7 -10.074 -3.765 -2.605
30 HA2 GLY 7 1HA GLY 7 -9.343 -1.038 -2.240
31 HA3 GLY 7 2HA GLY 7 -9.252 -1.858 -0.681
32 H TYR 8 H TYR 8 -6.960 -1.006 -1.239
33 HA TYR 8 HA TYR 8 -5.350 -2.916 -2.885
34 HB2 TYR 8 1HB TYR 8 -4.653 -0.194 -1.719
35 HB3 TYR 8 2HB TYR 8 -3.578 -1.203 -2.669
36 HD1 TYR 8 2HD TYR 8 -6.705 0.829 -2.811
37 HD2 TYR 8 1HD TYR 8 -3.713 -1.307 -5.074
38 HE1 TYR 8 2HE TYR 8 -7.584 1.829 -4.913
39 HE2 TYR 8 1HE TYR 8 -4.595 -0.299 -7.177
40 HH TYR 8 HH TYR 8 -7.372 1.968 -7.191
41 H VAL 9 H VAL 9 -3.575 -4.053 -1.953
42 HA VAL 9 HA VAL 9 -3.386 -3.967 1.012
43 HB VAL 9 HB VAL 9 -3.533 -6.547 -0.572
44 HG11 VAL 9 1HG1 VAL 9 -2.274 -6.671 1.574
45 HG12 VAL 9 2HG1 VAL 9 -3.634 -5.923 2.420
46 HG13 VAL 9 3HG1 VAL 9 -3.808 -7.536 1.702
47 HG21 VAL 9 3HG2 VAL 9 -5.780 -5.524 -0.591
48 HG22 VAL 9 1HG2 VAL 9 -5.739 -6.903 0.506
49 HG23 VAL 9 2HG2 VAL 9 -5.672 -5.256 1.165
50 H CYS 10 H CYS 10 -1.461 -4.233 1.880
51 HA CYS 10 HA CYS 10 0.964 -3.907 0.426
52 HB2 CYS 10 1HB CYS 10 0.416 -3.262 2.793
53 HB3 CYS 10 2HB CYS 10 0.492 -4.974 3.233
54 H ALA 11 H ALA 11 2.418 -5.277 -0.391
55 HA ALA 11 HA ALA 11 1.797 -8.153 -0.552
56 HB1 ALA 11 1HB ALA 11 3.640 -8.194 -2.171
57 HB2 ALA 11 2HB ALA 11 2.492 -6.901 -2.560
58 HB3 ALA 11 3HB ALA 11 4.047 -6.509 -1.790
59 H LEU 12 H LEU 12 3.401 -6.220 1.676
60 HA LEU 12 HA LEU 12 5.520 -8.223 2.312
61 HB2 LEU 12 1HB LEU 12 5.288 -5.321 3.181
62 HB3 LEU 12 2HB LEU 12 6.606 -6.433 3.479
63 HG LEU 12 HG LEU 12 6.885 -6.523 0.883
64 HD11 LEU 12 1HD1 LEU 12 4.865 -5.312 0.121
65 HD12 LEU 12 2HD1 LEU 12 6.292 -4.356 -0.241
66 HD13 LEU 12 3HD1 LEU 12 5.279 -3.931 1.152
67 HD21 LEU 12 3HD2 LEU 12 7.373 -3.980 2.432
68 HD22 LEU 12 1HD2 LEU 12 8.283 -4.499 0.994
69 HD23 LEU 12 2HD2 LEU 12 8.400 -5.425 2.505
70 H CYS 13 H CYS 13 3.251 -6.066 3.999
71 HA CYS 13 HA CYS 13 3.133 -7.988 6.282
72 HB2 CYS 13 1HB CYS 13 2.574 -6.243 7.755
73 HB3 CYS 13 2HB CYS 13 4.049 -5.860 6.885
74 H LEU 14 H LEU 14 1.256 -7.346 3.678
75 HA LEU 14 HA LEU 14 -0.852 -7.796 3.064
76 HB2 LEU 14 1HB LEU 14 -1.067 -9.593 5.465
77 HB3 LEU 14 2HB LEU 14 -1.927 -9.707 3.936
78 HG LEU 14 HG LEU 14 1.038 -10.230 4.407
79 HD11 LEU 14 1HD1 LEU 14 -1.232 -12.041 3.499
80 HD12 LEU 14 2HD1 LEU 14 -0.521 -12.001 5.130
81 HD13 LEU 14 3HD1 LEU 14 0.463 -12.511 3.749
82 HD21 LEU 14 3HD2 LEU 14 1.091 -10.973 2.014
83 HD22 LEU 14 1HD2 LEU 14 0.892 -9.235 2.196
84 HD23 LEU 14 2HD2 LEU 14 -0.513 -10.241 1.783
85 H LYS 15 H LYS 15 -0.512 -5.524 4.965
86 HA LYS 15 HA LYS 15 -3.107 -5.104 6.229
87 HB2 LYS 15 1HB LYS 15 -0.941 -4.121 6.993
88 HB3 LYS 15 2HB LYS 15 -0.881 -3.208 5.464
89 HG2 LYS 15 1HG LYS 15 -2.825 -1.898 6.093
90 HG3 LYS 15 2HG LYS 15 -3.169 -2.962 7.471
91 HD2 LYS 15 1HD LYS 15 -1.126 -2.220 8.604
92 HD3 LYS 15 2HD LYS 15 -0.689 -1.205 7.212
93 HE2 LYS 15 1HE LYS 15 -2.749 0.125 7.503
94 HE3 LYS 15 2HE LYS 15 -3.262 -0.922 8.832
95 HZ1 LYS 15 3HZ LYS 15 -1.313 -0.180 10.093
96 HZ2 LYS 15 1HZ LYS 15 -2.229 1.101 9.669
97 HZ3 LYS 15 2HZ LYS 15 -0.838 0.800 8.871
98 H LYS 16 H LYS 16 -4.837 -3.929 5.504
99 HA LYS 16 HA LYS 16 -4.997 -3.369 2.603
100 HB2 LYS 16 1HB LYS 16 -6.589 -4.903 3.727
101 HB3 LYS 16 2HB LYS 16 -7.215 -3.545 4.671
102 HG2 LYS 16 1HG LYS 16 -8.019 -2.441 2.635
103 HG3 LYS 16 2HG LYS 16 -7.222 -3.654 1.617
104 HD2 LYS 16 1HD LYS 16 -8.663 -5.417 2.691
105 HD3 LYS 16 2HD LYS 16 -9.515 -4.118 3.560
106 HE2 LYS 16 1HE LYS 16 -10.082 -3.082 1.344
107 HE3 LYS 16 2HE LYS 16 -9.286 -4.444 0.534
108 HZ1 LYS 16 3HZ LYS 16 -10.924 -5.927 1.558
109 HZ2 LYS 16 1HZ LYS 16 -11.719 -4.763 0.727
110 HZ3 LYS 16 2HZ LYS 16 -11.631 -4.687 2.353
111 H PHE 17 H PHE 17 -5.817 -1.562 1.701
112 HA PHE 17 HA PHE 17 -5.906 0.999 3.221
113 HB2 PHE 17 1HB PHE 17 -4.168 0.342 0.803
114 HB3 PHE 17 2HB PHE 17 -4.429 1.962 1.424
115 HD1 PHE 17 2HD PHE 17 -3.551 2.658 3.638
116 HD2 PHE 17 1HD PHE 17 -2.680 -1.225 1.971
117 HE1 PHE 17 2HE PHE 17 -1.747 2.342 5.314
118 HE2 PHE 17 1HE PHE 17 -0.878 -1.535 3.647
119 HZ PHE 17 HZ PHE 17 -0.439 0.231 5.338
120 H VAL 18 H VAL 18 -6.947 2.701 2.192
121 HA VAL 18 HA VAL 18 -9.199 2.015 0.544
122 HB VAL 18 HB VAL 18 -9.307 3.675 2.297
123 HG11 VAL 18 1HG1 VAL 18 -7.081 4.744 2.131
124 HG12 VAL 18 2HG1 VAL 18 -7.560 5.499 0.591
125 HG13 VAL 18 3HG1 VAL 18 -8.383 5.929 2.094
126 HG21 VAL 18 3HG2 VAL 18 -10.607 5.374 1.190
127 HG22 VAL 18 1HG2 VAL 18 -9.852 5.016 -0.374
128 HG23 VAL 18 2HG2 VAL 18 -10.906 3.812 0.407
129 H SER 19 H SER 19 -6.066 3.434 -0.246
130 HA SER 19 HA SER 19 -6.718 3.427 -3.152
131 HB2 SER 19 1HB SER 19 -5.562 5.813 -1.661
132 HB3 SER 19 2HB SER 19 -5.748 5.673 -3.417
133 HG SER 19 HG SER 19 -7.477 6.835 -2.483
134 H SER 20 H SER 20 -4.852 3.513 -4.547
135 HA SER 20 HA SER 20 -2.672 1.887 -3.770
136 HB2 SER 20 1HB SER 20 -1.674 2.620 -5.934
137 HB3 SER 20 2HB SER 20 -3.360 2.094 -6.078
138 HG SER 20 HG SER 20 -3.016 4.051 -7.205
139 H ILE 21 H ILE 21 -2.838 5.455 -4.007
140 HA ILE 21 HA ILE 21 -0.131 6.026 -3.414
141 HB ILE 21 HB ILE 21 -2.603 7.649 -2.691
142 HG12 ILE 21 1HG1 ILE 21 -2.682 7.214 -5.060
143 HG13 ILE 21 2HG1 ILE 21 -2.229 8.882 -4.787
144 HG21 ILE 21 1HG2 ILE 21 -1.030 9.609 -2.864
145 HG22 ILE 21 2HG2 ILE 21 -0.729 8.545 -1.491
146 HG23 ILE 21 3HG2 ILE 21 0.322 8.451 -2.918
147 HD11 ILE 21 3HD1 ILE 21 0.161 8.305 -5.283
148 HD12 ILE 21 1HD1 ILE 21 -0.348 6.631 -5.615
149 HD13 ILE 21 2HD1 ILE 21 -0.939 7.955 -6.628
150 H ARG 22 H ARG 22 -2.827 5.475 -1.168
151 HA ARG 22 HA ARG 22 -1.454 6.121 1.286
152 HB2 ARG 22 1HB ARG 22 -3.756 4.182 0.786
153 HB3 ARG 22 2HB ARG 22 -3.280 4.806 2.354
154 HG2 ARG 22 1HG ARG 22 -4.218 6.600 0.065
155 HG3 ARG 22 2HG ARG 22 -5.312 5.877 1.226
156 HD2 ARG 22 1HD ARG 22 -3.044 7.742 1.933
157 HD3 ARG 22 2HD ARG 22 -4.731 8.226 1.728
158 HE ARG 22 HE ARG 22 -4.772 6.170 3.630
159 HH11 ARG 22 2HH1 ARG 22 -3.412 9.395 3.486
160 HH12 ARG 22 1HH1 ARG 22 -3.494 9.606 5.213
161 HH21 ARG 22 2HH2 ARG 22 -4.841 6.503 5.830
162 HH22 ARG 22 1HH2 ARG 22 -4.287 8.009 6.496
163 H LEU 23 H LEU 23 -1.813 3.080 -0.524
164 HA LEU 23 HA LEU 23 -0.282 1.472 1.308
165 HB2 LEU 23 1HB LEU 23 -1.866 0.407 -0.123
166 HB3 LEU 23 2HB LEU 23 -1.206 1.171 -1.568
167 HG LEU 23 HG LEU 23 0.848 -0.131 -1.394
168 HD11 LEU 23 1HD1 LEU 23 1.184 -1.878 0.194
169 HD12 LEU 23 2HD1 LEU 23 -0.440 -1.663 0.901
170 HD13 LEU 23 3HD1 LEU 23 0.827 -0.453 1.140
171 HD21 LEU 23 3HD2 LEU 23 -1.024 -1.032 -2.684
172 HD22 LEU 23 1HD2 LEU 23 -1.655 -1.843 -1.230
173 HD23 LEU 23 2HD2 LEU 23 -0.096 -2.338 -1.925
174 H ARG 24 H ARG 24 0.591 3.120 -1.795
175 HA ARG 24 HA ARG 24 3.272 2.213 -1.997
176 HB2 ARG 24 1HB ARG 24 1.908 4.807 -2.817
177 HB3 ARG 24 2HB ARG 24 3.599 4.486 -3.202
178 HG2 ARG 24 1HG ARG 24 3.084 2.566 -4.541
179 HG3 ARG 24 2HG ARG 24 1.404 2.533 -4.005
180 HD2 ARG 24 1HD ARG 24 1.025 4.744 -5.086
181 HD3 ARG 24 2HD ARG 24 2.699 4.719 -5.684
182 HE ARG 24 HE ARG 24 1.430 2.306 -6.491
183 HH11 ARG 24 2HH1 ARG 24 1.232 5.711 -7.290
184 HH12 ARG 24 1HH1 ARG 24 0.588 5.394 -8.877
185 HH21 ARG 24 2HH2 ARG 24 0.626 1.974 -8.537
186 HH22 ARG 24 1HH2 ARG 24 0.267 3.332 -9.561
187 H SER 25 H SER 25 2.116 5.206 -0.434
188 HA SER 25 HA SER 25 4.665 5.955 0.627
189 HB2 SER 25 1HB SER 25 1.797 6.674 1.280
190 HB3 SER 25 2HB SER 25 3.182 7.413 2.135
191 HG SER 25 HG SER 25 2.511 8.644 0.300
192 H HIS 26 H HIS 26 2.050 3.932 2.102
193 HA HIS 26 HA HIS 26 3.204 3.620 4.681
194 HB2 HIS 26 1HB HIS 26 1.095 2.679 4.490
195 HB3 HIS 26 2HB HIS 26 1.412 1.939 2.939
196 HD1 HIS 26 1HD HIS 26 1.942 1.237 6.656
197 HD2 HIS 26 2HD HIS 26 2.573 -0.503 2.881
198 HE1 HIS 26 1HE HIS 26 2.441 -1.206 7.098
199 H ILE 27 H ILE 27 3.914 1.795 1.647
200 HA ILE 27 HA ILE 27 5.767 0.015 2.879
201 HB ILE 27 HB ILE 27 5.707 0.946 -0.017
202 HG12 ILE 27 1HG1 ILE 27 4.526 -1.618 1.151
203 HG13 ILE 27 2HG1 ILE 27 3.575 -0.181 0.844
204 HG21 ILE 27 1HG2 ILE 27 6.991 -1.079 -0.516
205 HG22 ILE 27 2HG2 ILE 27 7.867 -0.115 0.659
206 HG23 ILE 27 3HG2 ILE 27 6.960 -1.557 1.191
207 HD11 ILE 27 3HD1 ILE 27 3.279 -1.652 -1.017
208 HD12 ILE 27 1HD1 ILE 27 4.228 -0.257 -1.567
209 HD13 ILE 27 2HD1 ILE 27 5.022 -1.821 -1.254
210 H ARG 28 H ARG 28 6.290 3.259 1.456
211 HA ARG 28 HA ARG 28 9.175 3.149 1.849
212 HB2 ARG 28 1HB ARG 28 7.558 5.699 1.784
213 HB3 ARG 28 2HB ARG 28 9.237 5.436 1.327
214 HG2 ARG 28 1HG ARG 28 6.729 4.722 -0.197
215 HG3 ARG 28 2HG ARG 28 8.021 5.817 -0.663
216 HD2 ARG 28 1HD ARG 28 9.509 3.657 -0.710
217 HD3 ARG 28 2HD ARG 28 7.977 2.787 -0.641
218 HE ARG 28 HE ARG 28 7.515 3.366 -2.829
219 HH11 ARG 28 2HH1 ARG 28 10.298 5.287 -1.858
220 HH12 ARG 28 1HH1 ARG 28 10.420 6.047 -3.421
221 HH21 ARG 28 2HH2 ARG 28 7.817 4.295 -4.824
222 HH22 ARG 28 1HH2 ARG 28 9.091 5.452 -5.063
223 H GLU 29 H GLU 29 6.489 4.385 3.823
224 HA GLU 29 HA GLU 29 8.080 5.647 5.838
225 HB2 GLU 29 1HB GLU 29 5.223 4.611 5.766
226 HB3 GLU 29 2HB GLU 29 5.920 5.315 7.226
227 HG2 GLU 29 1HG GLU 29 6.425 7.396 6.068
228 HG3 GLU 29 2HG GLU 29 5.805 6.754 4.551
229 H VAL 30 H VAL 30 6.726 2.311 5.731
230 HA VAL 30 HA VAL 30 8.164 1.789 8.307
231 HB VAL 30 HB VAL 30 6.568 0.362 8.974
232 HG11 VAL 30 1HG1 VAL 30 4.968 2.535 7.556
233 HG12 VAL 30 2HG1 VAL 30 4.492 1.646 9.015
234 HG13 VAL 30 3HG1 VAL 30 5.873 2.761 9.070
235 HG21 VAL 30 3HG2 VAL 30 5.212 0.339 6.264
236 HG22 VAL 30 1HG2 VAL 30 6.084 -1.003 7.035
237 HG23 VAL 30 2HG2 VAL 30 4.597 -0.409 7.755
238 H HIS 31 H HIS 31 7.905 0.505 5.046
239 HA HIS 31 HA HIS 31 9.603 -1.825 5.878
240 HB2 HIS 31 1HB HIS 31 8.184 -1.397 3.238
241 HB3 HIS 31 2HB HIS 31 9.048 -2.827 3.768
242 HD1 HIS 31 1HD HIS 31 7.803 -3.581 6.462
243 HD2 HIS 31 2HD HIS 31 5.675 -2.028 3.198
244 HE1 HIS 31 1HE HIS 31 5.397 -4.302 6.795
245 H GLY 32 H GLY 32 9.797 1.267 4.485
246 HA2 GLY 32 1HA GLY 32 11.493 2.488 3.557
247 HA3 GLY 32 2HA GLY 32 12.590 1.385 4.402
248 H ALA 33 H ALA 33 10.428 0.432 1.744
249 HA ALA 33 HA ALA 33 12.396 -1.093 0.474
250 HB1 ALA 33 1HB ALA 33 10.703 -1.364 -1.300
251 HB2 ALA 33 2HB ALA 33 9.961 -1.444 0.307
252 HB3 ALA 33 3HB ALA 33 9.810 0.038 -0.676
253 H ALA 34 H ALA 34 11.628 2.305 -0.160
254 HA ALA 34 HA ALA 34 14.029 2.680 -1.693
255 HB1 ALA 34 1HB ALA 34 12.861 3.643 -3.699
256 HB2 ALA 34 2HB ALA 34 12.637 1.893 -3.544
257 HB3 ALA 34 3HB ALA 34 11.326 2.993 -3.082
258 H GLN 35 H GLN 35 14.745 4.651 -1.322
259 HA GLN 35 HA GLN 35 13.452 6.536 0.429
260 HB2 GLN 35 1HB GLN 35 15.962 6.800 -1.295
261 HB3 GLN 35 2HB GLN 35 15.424 7.960 -0.091
262 HG2 GLN 35 1HG GLN 35 17.054 6.725 1.029
263 HG3 GLN 35 2HG GLN 35 15.531 6.116 1.655
264 HE21 GLN 35 1HE2 GLN 35 17.099 4.310 2.358
265 HE22 GLN 35 2HE2 GLN 35 17.381 3.024 1.188
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -11.346 -15.504 -6.396
2 H2 GLY 1 2H GLY 1 -10.197 -16.652 -6.607
3 H3 GLY 1 3H GLY 1 -10.513 -15.577 -7.803
4 HA2 GLY 1 1HA GLY 1 -9.362 -14.916 -5.169
5 HA3 GLY 1 2HA GLY 1 -8.455 -15.002 -6.691
6 H SER 2 H SER 2 -8.216 -12.717 -5.364
7 HA SER 2 HA SER 2 -9.526 -10.725 -7.101
8 HB2 SER 2 1HB SER 2 -11.066 -10.875 -5.193
9 HB3 SER 2 2HB SER 2 -9.723 -10.621 -4.064
10 HG SER 2 HG SER 2 -10.968 -8.733 -4.570
11 H SER 3 H SER 3 -8.372 -8.825 -7.313
12 HA SER 3 HA SER 3 -5.553 -8.795 -6.492
13 HB2 SER 3 1HB SER 3 -7.186 -6.734 -8.016
14 HB3 SER 3 2HB SER 3 -5.421 -6.760 -7.838
15 HG SER 3 HG SER 3 -6.114 -7.688 -9.828
16 H GLY 4 H GLY 4 -8.477 -7.636 -5.091
17 HA2 GLY 4 1HA GLY 4 -7.578 -6.709 -2.702
18 HA3 GLY 4 2HA GLY 4 -7.299 -5.299 -3.727
19 H SER 5 H SER 5 -9.830 -7.553 -2.590
20 HA SER 5 HA SER 5 -12.075 -6.083 -3.580
21 HB2 SER 5 1HB SER 5 -11.918 -7.972 -1.203
22 HB3 SER 5 2HB SER 5 -13.402 -7.416 -2.004
23 HG SER 5 HG SER 5 -12.739 -9.449 -2.803
24 H SER 6 H SER 6 -12.892 -4.207 -2.961
25 HA SER 6 HA SER 6 -13.268 -2.267 -1.895
26 HB2 SER 6 1HB SER 6 -13.410 -3.960 0.613
27 HB3 SER 6 2HB SER 6 -14.110 -2.348 0.381
28 HG SER 6 HG SER 6 -15.652 -4.014 0.040
29 H GLY 7 H GLY 7 -10.307 -3.193 -1.930
30 HA2 GLY 7 1HA GLY 7 -9.150 -0.796 -1.230
31 HA3 GLY 7 2HA GLY 7 -9.055 -1.721 0.263
32 H TYR 8 H TYR 8 -6.868 -0.752 -1.183
33 HA TYR 8 HA TYR 8 -5.603 -2.932 -2.730
34 HB2 TYR 8 1HB TYR 8 -4.549 -0.203 -1.877
35 HB3 TYR 8 2HB TYR 8 -3.782 -1.309 -3.001
36 HD1 TYR 8 2HD TYR 8 -6.706 0.955 -2.527
37 HD2 TYR 8 1HD TYR 8 -4.439 -1.444 -5.309
38 HE1 TYR 8 2HE TYR 8 -7.906 2.025 -4.433
39 HE2 TYR 8 1HE TYR 8 -5.630 -0.366 -7.208
40 HH TYR 8 HH TYR 8 -7.215 1.165 -7.843
41 H VAL 9 H VAL 9 -3.749 -4.128 -1.997
42 HA VAL 9 HA VAL 9 -3.349 -4.001 0.963
43 HB VAL 9 HB VAL 9 -3.463 -6.533 -0.685
44 HG11 VAL 9 1HG1 VAL 9 -2.157 -6.741 1.400
45 HG12 VAL 9 2HG1 VAL 9 -3.462 -5.996 2.328
46 HG13 VAL 9 3HG1 VAL 9 -3.690 -7.589 1.574
47 HG21 VAL 9 3HG2 VAL 9 -5.594 -5.292 1.106
48 HG22 VAL 9 1HG2 VAL 9 -5.718 -5.549 -0.649
49 HG23 VAL 9 2HG2 VAL 9 -5.649 -6.937 0.435
50 H CYS 10 H CYS 10 -1.425 -4.215 1.836
51 HA CYS 10 HA CYS 10 1.025 -3.845 0.447
52 HB2 CYS 10 1HB CYS 10 0.466 -3.256 2.795
53 HB3 CYS 10 2HB CYS 10 0.488 -4.980 3.204
54 H ALA 11 H ALA 11 2.512 -5.188 -0.371
55 HA ALA 11 HA ALA 11 1.897 -8.056 -0.652
56 HB1 ALA 11 1HB ALA 11 2.648 -6.735 -2.593
57 HB2 ALA 11 2HB ALA 11 4.181 -6.371 -1.768
58 HB3 ALA 11 3HB ALA 11 3.785 -8.042 -2.220
59 H LEU 12 H LEU 12 3.428 -6.218 1.699
60 HA LEU 12 HA LEU 12 5.515 -8.262 2.327
61 HB2 LEU 12 1HB LEU 12 5.334 -5.371 3.243
62 HB3 LEU 12 2HB LEU 12 6.623 -6.517 3.534
63 HG LEU 12 HG LEU 12 6.922 -6.563 0.934
64 HD11 LEU 12 1HD1 LEU 12 6.404 -4.352 -0.140
65 HD12 LEU 12 2HD1 LEU 12 5.416 -3.912 1.264
66 HD13 LEU 12 3HD1 LEU 12 4.935 -5.250 0.212
67 HD21 LEU 12 3HD2 LEU 12 8.469 -5.561 2.580
68 HD22 LEU 12 1HD2 LEU 12 7.475 -4.091 2.585
69 HD23 LEU 12 2HD2 LEU 12 8.367 -4.556 1.118
70 H CYS 13 H CYS 13 3.267 -6.076 4.011
71 HA CYS 13 HA CYS 13 3.092 -8.015 6.272
72 HB2 CYS 13 1HB CYS 13 2.527 -6.278 7.752
73 HB3 CYS 13 2HB CYS 13 4.021 -5.907 6.913
74 H LEU 14 H LEU 14 1.278 -7.341 3.642
75 HA LEU 14 HA LEU 14 -0.811 -7.800 2.972
76 HB2 LEU 14 1HB LEU 14 -1.043 -9.639 5.341
77 HB3 LEU 14 2HB LEU 14 -1.868 -9.748 3.791
78 HG LEU 14 HG LEU 14 1.098 -10.215 4.318
79 HD11 LEU 14 1HD1 LEU 14 -0.435 -12.026 4.995
80 HD12 LEU 14 2HD1 LEU 14 0.585 -12.504 3.629
81 HD13 LEU 14 3HD1 LEU 14 -1.116 -12.066 3.354
82 HD21 LEU 14 3HD2 LEU 14 -0.405 -10.241 1.665
83 HD22 LEU 14 1HD2 LEU 14 1.213 -10.935 1.922
84 HD23 LEU 14 2HD2 LEU 14 0.968 -9.202 2.111
85 H LYS 15 H LYS 15 -0.573 -5.537 4.868
86 HA LYS 15 HA LYS 15 -3.214 -5.213 6.093
87 HB2 LYS 15 1HB LYS 15 -1.081 -4.236 6.968
88 HB3 LYS 15 2HB LYS 15 -0.993 -3.252 5.485
89 HG2 LYS 15 1HG LYS 15 -2.959 -1.995 6.113
90 HG3 LYS 15 2HG LYS 15 -3.355 -3.133 7.416
91 HD2 LYS 15 1HD LYS 15 -1.387 -2.442 8.687
92 HD3 LYS 15 2HD LYS 15 -0.863 -1.374 7.370
93 HE2 LYS 15 1HE LYS 15 -2.935 -0.041 7.603
94 HE3 LYS 15 2HE LYS 15 -3.512 -1.131 8.868
95 HZ1 LYS 15 3HZ LYS 15 -2.499 0.857 9.819
96 HZ2 LYS 15 1HZ LYS 15 -1.078 0.565 9.074
97 HZ3 LYS 15 2HZ LYS 15 -1.617 -0.449 10.239
98 H LYS 16 H LYS 16 -4.937 -4.016 5.345
99 HA LYS 16 HA LYS 16 -4.970 -3.293 2.475
100 HB2 LYS 16 1HB LYS 16 -6.594 -4.903 3.413
101 HB3 LYS 16 2HB LYS 16 -7.266 -3.631 4.437
102 HG2 LYS 16 1HG LYS 16 -7.988 -2.357 2.487
103 HG3 LYS 16 2HG LYS 16 -7.169 -3.471 1.386
104 HD2 LYS 16 1HD LYS 16 -9.458 -4.245 3.246
105 HD3 LYS 16 2HD LYS 16 -9.661 -3.776 1.550
106 HE2 LYS 16 1HE LYS 16 -8.190 -5.655 0.846
107 HE3 LYS 16 2HE LYS 16 -8.027 -6.159 2.537
108 HZ1 LYS 16 3HZ LYS 16 -9.762 -7.425 1.436
109 HZ2 LYS 16 1HZ LYS 16 -10.563 -6.066 0.995
110 HZ3 LYS 16 2HZ LYS 16 -10.459 -6.487 2.579
111 H PHE 17 H PHE 17 -5.620 -1.391 1.651
112 HA PHE 17 HA PHE 17 -5.805 1.026 3.392
113 HB2 PHE 17 1HB PHE 17 -4.067 0.559 0.929
114 HB3 PHE 17 2HB PHE 17 -4.306 2.119 1.701
115 HD1 PHE 17 2HD PHE 17 -3.457 2.580 3.986
116 HD2 PHE 17 1HD PHE 17 -2.598 -1.131 1.952
117 HE1 PHE 17 2HE PHE 17 -1.697 2.064 5.660
118 HE2 PHE 17 1HE PHE 17 -0.839 -1.631 3.621
119 HZ PHE 17 HZ PHE 17 -0.418 -0.060 5.493
120 H VAL 18 H VAL 18 -6.781 2.833 2.519
121 HA VAL 18 HA VAL 18 -9.113 2.413 0.930
122 HB VAL 18 HB VAL 18 -8.957 4.009 2.756
123 HG11 VAL 18 1HG1 VAL 18 -6.682 4.890 2.490
124 HG12 VAL 18 2HG1 VAL 18 -7.144 5.711 0.982
125 HG13 VAL 18 3HG1 VAL 18 -7.856 6.200 2.525
126 HG21 VAL 18 3HG2 VAL 18 -10.670 4.359 0.989
127 HG22 VAL 18 1HG2 VAL 18 -10.193 5.842 1.833
128 HG23 VAL 18 2HG2 VAL 18 -9.581 5.527 0.201
129 H SER 19 H SER 19 -5.896 3.379 -0.041
130 HA SER 19 HA SER 19 -6.717 3.609 -2.876
131 HB2 SER 19 1HB SER 19 -6.970 5.879 -2.127
132 HB3 SER 19 2HB SER 19 -5.417 5.840 -1.281
133 HG SER 19 HG SER 19 -5.493 6.871 -3.442
134 H SER 20 H SER 20 -4.989 3.405 -4.350
135 HA SER 20 HA SER 20 -2.781 1.726 -3.629
136 HB2 SER 20 1HB SER 20 -1.990 2.220 -5.922
137 HB3 SER 20 2HB SER 20 -3.689 1.719 -5.870
138 HG SER 20 HG SER 20 -3.379 3.553 -7.220
139 H ILE 21 H ILE 21 -3.153 5.258 -3.804
140 HA ILE 21 HA ILE 21 -0.346 5.916 -3.615
141 HB ILE 21 HB ILE 21 -2.792 7.503 -2.747
142 HG12 ILE 21 1HG1 ILE 21 -3.005 6.998 -5.102
143 HG13 ILE 21 2HG1 ILE 21 -2.599 8.688 -4.888
144 HG21 ILE 21 1HG2 ILE 21 -0.859 8.458 -1.693
145 HG22 ILE 21 2HG2 ILE 21 0.096 8.347 -3.184
146 HG23 ILE 21 3HG2 ILE 21 -1.267 9.487 -3.067
147 HD11 ILE 21 3HD1 ILE 21 -0.226 8.189 -5.528
148 HD12 ILE 21 1HD1 ILE 21 -0.686 6.488 -5.796
149 HD13 ILE 21 2HD1 ILE 21 -1.394 7.767 -6.791
150 H ARG 22 H ARG 22 -2.850 5.399 -1.132
151 HA ARG 22 HA ARG 22 -1.176 5.999 1.162
152 HB2 ARG 22 1HB ARG 22 -3.657 4.240 0.909
153 HB3 ARG 22 2HB ARG 22 -2.933 4.733 2.428
154 HG2 ARG 22 1HG ARG 22 -4.141 6.619 0.353
155 HG3 ARG 22 2HG ARG 22 -4.929 6.055 1.819
156 HD2 ARG 22 1HD ARG 22 -2.513 7.831 1.640
157 HD3 ARG 22 2HD ARG 22 -4.126 8.326 2.099
158 HE ARG 22 HE ARG 22 -2.136 6.961 3.770
159 HH11 ARG 22 2HH1 ARG 22 -5.544 7.770 3.571
160 HH12 ARG 22 1HH1 ARG 22 -5.787 7.527 5.279
161 HH21 ARG 22 2HH2 ARG 22 -2.521 6.678 5.931
162 HH22 ARG 22 1HH2 ARG 22 -4.118 6.930 6.572
163 H LEU 23 H LEU 23 -1.852 3.006 -0.622
164 HA LEU 23 HA LEU 23 -0.261 1.247 1.000
165 HB2 LEU 23 1HB LEU 23 -1.896 0.297 -0.415
166 HB3 LEU 23 2HB LEU 23 -1.369 1.220 -1.817
167 HG LEU 23 HG LEU 23 0.680 -0.095 -2.004
168 HD11 LEU 23 1HD1 LEU 23 1.019 -0.724 0.393
169 HD12 LEU 23 2HD1 LEU 23 1.026 -2.106 -0.693
170 HD13 LEU 23 3HD1 LEU 23 -0.416 -1.756 0.302
171 HD21 LEU 23 3HD2 LEU 23 -0.342 -2.209 -2.695
172 HD22 LEU 23 1HD2 LEU 23 -1.355 -0.836 -3.171
173 HD23 LEU 23 2HD2 LEU 23 -1.800 -1.829 -1.759
174 H ARG 24 H ARG 24 0.534 3.034 -2.057
175 HA ARG 24 HA ARG 24 3.213 2.105 -2.274
176 HB2 ARG 24 1HB ARG 24 1.842 4.685 -3.119
177 HB3 ARG 24 2HB ARG 24 3.523 4.357 -3.539
178 HG2 ARG 24 1HG ARG 24 2.988 2.542 -4.959
179 HG3 ARG 24 2HG ARG 24 1.376 2.344 -4.271
180 HD2 ARG 24 1HD ARG 24 1.067 3.412 -6.397
181 HD3 ARG 24 2HD ARG 24 0.747 4.596 -5.133
182 HE ARG 24 HE ARG 24 2.589 5.852 -5.793
183 HH11 ARG 24 2HH1 ARG 24 2.756 2.812 -7.533
184 HH12 ARG 24 1HH1 ARG 24 4.016 3.389 -8.590
185 HH21 ARG 24 2HH2 ARG 24 4.194 6.513 -7.168
186 HH22 ARG 24 1HH2 ARG 24 4.803 5.427 -8.380
187 H SER 25 H SER 25 1.994 5.014 -0.657
188 HA SER 25 HA SER 25 4.565 5.877 0.330
189 HB2 SER 25 1HB SER 25 2.548 7.324 0.036
190 HB3 SER 25 2HB SER 25 1.779 6.501 1.408
191 HG SER 25 HG SER 25 2.858 8.476 1.988
192 H HIS 26 H HIS 26 2.032 3.813 1.837
193 HA HIS 26 HA HIS 26 3.057 3.601 4.454
194 HB2 HIS 26 1HB HIS 26 1.004 2.547 4.136
195 HB3 HIS 26 2HB HIS 26 1.491 1.764 2.650
196 HD1 HIS 26 1HD HIS 26 1.899 1.267 6.438
197 HD2 HIS 26 2HD HIS 26 2.591 -0.650 2.760
198 HE1 HIS 26 1HE HIS 26 2.415 -1.150 7.004
199 H ILE 27 H ILE 27 4.032 1.711 1.568
200 HA ILE 27 HA ILE 27 5.825 -0.017 2.921
201 HB ILE 27 HB ILE 27 6.005 0.954 0.049
202 HG12 ILE 27 1HG1 ILE 27 4.657 -1.609 1.019
203 HG13 ILE 27 2HG1 ILE 27 3.764 -0.133 0.729
204 HG21 ILE 27 1HG2 ILE 27 8.052 -0.232 0.941
205 HG22 ILE 27 2HG2 ILE 27 7.024 -1.648 1.253
206 HG23 ILE 27 3HG2 ILE 27 7.269 -1.053 -0.403
207 HD11 ILE 27 3HD1 ILE 27 3.570 -1.464 -1.238
208 HD12 ILE 27 1HD1 ILE 27 4.620 -0.080 -1.624
209 HD13 ILE 27 2HD1 ILE 27 5.324 -1.691 -1.349
210 H ARG 28 H ARG 28 6.331 3.277 1.702
211 HA ARG 28 HA ARG 28 9.230 3.202 2.085
212 HB2 ARG 28 1HB ARG 28 7.669 5.760 1.977
213 HB3 ARG 28 2HB ARG 28 9.272 5.391 1.345
214 HG2 ARG 28 1HG ARG 28 6.578 4.581 0.220
215 HG3 ARG 28 2HG ARG 28 7.692 5.745 -0.482
216 HD2 ARG 28 1HD ARG 28 9.219 4.054 -1.141
217 HD3 ARG 28 2HD ARG 28 8.419 2.811 -0.153
218 HE ARG 28 HE ARG 28 6.397 3.493 -1.767
219 HH11 ARG 28 2HH1 ARG 28 9.656 2.389 -2.455
220 HH12 ARG 28 1HH1 ARG 28 9.195 1.708 -3.999
221 HH21 ARG 28 2HH2 ARG 28 5.893 2.643 -3.757
222 HH22 ARG 28 1HH2 ARG 28 7.108 1.823 -4.694
223 H GLU 29 H GLU 29 6.453 4.328 3.948
224 HA GLU 29 HA GLU 29 7.940 5.660 6.017
225 HB2 GLU 29 1HB GLU 29 5.104 4.576 5.869
226 HB3 GLU 29 2HB GLU 29 5.717 5.455 7.264
227 HG2 GLU 29 1HG GLU 29 5.678 6.606 4.440
228 HG3 GLU 29 2HG GLU 29 4.398 6.835 5.624
229 H VAL 30 H VAL 30 6.711 2.279 5.824
230 HA VAL 30 HA VAL 30 8.101 1.772 8.434
231 HB VAL 30 HB VAL 30 6.544 0.208 9.015
232 HG11 VAL 30 1HG1 VAL 30 5.865 2.594 9.305
233 HG12 VAL 30 2HG1 VAL 30 4.933 2.475 7.793
234 HG13 VAL 30 3HG1 VAL 30 4.482 1.484 9.197
235 HG21 VAL 30 3HG2 VAL 30 6.044 -0.971 6.947
236 HG22 VAL 30 1HG2 VAL 30 4.568 -0.461 7.750
237 HG23 VAL 30 2HG2 VAL 30 5.150 0.434 6.331
238 H HIS 31 H HIS 31 7.876 0.516 5.157
239 HA HIS 31 HA HIS 31 9.624 -1.787 5.968
240 HB2 HIS 31 1HB HIS 31 8.214 -1.399 3.322
241 HB3 HIS 31 2HB HIS 31 9.086 -2.814 3.879
242 HD1 HIS 31 1HD HIS 31 7.807 -3.590 6.541
243 HD2 HIS 31 2HD HIS 31 5.716 -2.054 3.246
244 HE1 HIS 31 1HE HIS 31 5.407 -4.360 6.818
245 H GLY 32 H GLY 32 9.804 1.303 4.624
246 HA2 GLY 32 1HA GLY 32 11.541 2.575 3.912
247 HA3 GLY 32 2HA GLY 32 12.625 1.334 4.553
248 H ALA 33 H ALA 33 10.408 0.679 1.847
249 HA ALA 33 HA ALA 33 12.628 -0.139 0.172
250 HB1 ALA 33 1HB ALA 33 10.911 -0.780 -1.409
251 HB2 ALA 33 2HB ALA 33 10.425 -1.283 0.222
252 HB3 ALA 33 3HB ALA 33 9.690 0.157 -0.533
253 H ALA 34 H ALA 34 13.959 1.577 -0.349
254 HA ALA 34 HA ALA 34 13.072 3.355 -2.492
255 HB1 ALA 34 1HB ALA 34 13.930 5.384 -1.349
256 HB2 ALA 34 2HB ALA 34 12.543 4.692 -0.489
257 HB3 ALA 34 3HB ALA 34 14.188 4.443 0.136
258 H GLN 35 H GLN 35 14.575 3.339 -3.961
259 HA GLN 35 HA GLN 35 17.330 2.362 -3.428
260 HB2 GLN 35 1HB GLN 35 15.862 2.778 -6.058
261 HB3 GLN 35 2HB GLN 35 17.467 2.083 -5.867
262 HG2 GLN 35 1HG GLN 35 14.849 0.884 -4.852
263 HG3 GLN 35 2HG GLN 35 15.795 0.336 -6.227
264 HE21 GLN 35 1HE2 GLN 35 18.159 -0.388 -5.671
265 HE22 GLN 35 2HE2 GLN 35 18.330 -1.250 -4.147
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -26.260 -6.219 1.230
2 H2 GLY 1 2H GLY 1 -26.574 -7.800 1.514
3 H3 GLY 1 3H GLY 1 -27.646 -6.892 0.670
4 HA2 GLY 1 1HA GLY 1 -26.422 -8.325 -0.825
5 HA3 GLY 1 2HA GLY 1 -26.103 -6.609 -1.144
6 H SER 2 H SER 2 -24.415 -8.911 -1.782
7 HA SER 2 HA SER 2 -22.218 -9.163 0.026
8 HB2 SER 2 1HB SER 2 -22.288 -9.632 -2.977
9 HB3 SER 2 2HB SER 2 -21.069 -10.244 -1.843
10 HG SER 2 HG SER 2 -22.702 -11.805 -2.302
11 H SER 3 H SER 3 -20.132 -8.320 0.017
12 HA SER 3 HA SER 3 -19.804 -5.597 -0.993
13 HB2 SER 3 1HB SER 3 -17.627 -5.724 0.222
14 HB3 SER 3 2HB SER 3 -19.058 -6.022 1.223
15 HG SER 3 HG SER 3 -17.379 -7.545 1.624
16 H GLY 4 H GLY 4 -18.088 -4.844 -2.279
17 HA2 GLY 4 1HA GLY 4 -17.270 -6.591 -4.503
18 HA3 GLY 4 2HA GLY 4 -16.991 -4.862 -4.345
19 H SER 5 H SER 5 -14.987 -6.278 -5.327
20 HA SER 5 HA SER 5 -13.036 -7.144 -3.350
21 HB2 SER 5 1HB SER 5 -12.700 -6.627 -6.323
22 HB3 SER 5 2HB SER 5 -11.568 -7.492 -5.265
23 HG SER 5 HG SER 5 -12.950 -8.921 -6.425
24 H SER 6 H SER 6 -13.760 -4.649 -2.583
25 HA SER 6 HA SER 6 -12.290 -2.494 -3.748
26 HB2 SER 6 1HB SER 6 -13.669 -2.650 -1.045
27 HB3 SER 6 2HB SER 6 -13.204 -1.170 -1.908
28 HG SER 6 HG SER 6 -15.406 -1.694 -2.259
29 H GLY 7 H GLY 7 -10.707 -1.147 -2.883
30 HA2 GLY 7 1HA GLY 7 -8.948 -0.440 -1.565
31 HA3 GLY 7 2HA GLY 7 -9.189 -1.789 -0.471
32 H TYR 8 H TYR 8 -6.730 -1.060 -0.929
33 HA TYR 8 HA TYR 8 -5.466 -3.021 -2.824
34 HB2 TYR 8 1HB TYR 8 -4.451 -0.300 -1.910
35 HB3 TYR 8 2HB TYR 8 -3.603 -1.418 -2.965
36 HD1 TYR 8 2HD TYR 8 -6.643 0.748 -2.716
37 HD2 TYR 8 1HD TYR 8 -4.010 -1.470 -5.318
38 HE1 TYR 8 2HE TYR 8 -7.742 1.771 -4.690
39 HE2 TYR 8 1HE TYR 8 -5.094 -0.420 -7.299
40 HH TYR 8 HH TYR 8 -7.794 1.921 -6.985
41 H VAL 9 H VAL 9 -3.680 -4.234 -2.009
42 HA VAL 9 HA VAL 9 -3.373 -4.100 0.959
43 HB VAL 9 HB VAL 9 -3.464 -6.640 -0.683
44 HG11 VAL 9 1HG1 VAL 9 -3.473 -6.113 2.327
45 HG12 VAL 9 2HG1 VAL 9 -3.693 -7.702 1.565
46 HG13 VAL 9 3HG1 VAL 9 -2.156 -6.853 1.399
47 HG21 VAL 9 3HG2 VAL 9 -5.714 -5.653 -0.662
48 HG22 VAL 9 1HG2 VAL 9 -5.658 -7.031 0.437
49 HG23 VAL 9 2HG2 VAL 9 -5.599 -5.380 1.092
50 H CYS 10 H CYS 10 -1.455 -4.281 1.873
51 HA CYS 10 HA CYS 10 0.965 -3.892 0.414
52 HB2 CYS 10 1HB CYS 10 0.403 -3.105 2.705
53 HB3 CYS 10 2HB CYS 10 0.451 -4.780 3.276
54 H ALA 11 H ALA 11 2.209 -5.281 -0.631
55 HA ALA 11 HA ALA 11 1.774 -8.145 -0.540
56 HB1 ALA 11 1HB ALA 11 3.978 -6.496 -1.854
57 HB2 ALA 11 2HB ALA 11 3.607 -8.200 -2.182
58 HB3 ALA 11 3HB ALA 11 2.423 -6.945 -2.590
59 H LEU 12 H LEU 12 3.388 -6.157 1.628
60 HA LEU 12 HA LEU 12 5.506 -8.138 2.319
61 HB2 LEU 12 1HB LEU 12 5.207 -5.227 3.144
62 HB3 LEU 12 2HB LEU 12 6.514 -6.318 3.546
63 HG LEU 12 HG LEU 12 6.974 -6.492 1.013
64 HD11 LEU 12 1HD1 LEU 12 5.005 -5.417 0.002
65 HD12 LEU 12 2HD1 LEU 12 6.393 -4.376 -0.255
66 HD13 LEU 12 3HD1 LEU 12 5.223 -3.978 1.017
67 HD21 LEU 12 3HD2 LEU 12 7.252 -3.826 2.413
68 HD22 LEU 12 1HD2 LEU 12 8.300 -4.420 1.105
69 HD23 LEU 12 2HD2 LEU 12 8.312 -5.224 2.687
70 H CYS 13 H CYS 13 3.158 -6.014 3.935
71 HA CYS 13 HA CYS 13 3.064 -7.916 6.234
72 HB2 CYS 13 1HB CYS 13 2.527 -6.207 7.716
73 HB3 CYS 13 2HB CYS 13 3.972 -5.791 6.814
74 H LEU 14 H LEU 14 1.138 -7.353 3.636
75 HA LEU 14 HA LEU 14 -0.960 -7.873 3.066
76 HB2 LEU 14 1HB LEU 14 -0.633 -9.745 5.409
77 HB3 LEU 14 2HB LEU 14 -2.039 -9.774 4.378
78 HG LEU 14 HG LEU 14 -0.506 -11.503 3.771
79 HD11 LEU 14 1HD1 LEU 14 -0.570 -9.427 1.549
80 HD12 LEU 14 2HD1 LEU 14 -1.931 -10.473 2.018
81 HD13 LEU 14 3HD1 LEU 14 -0.439 -11.187 1.383
82 HD21 LEU 14 3HD2 LEU 14 1.652 -10.375 4.357
83 HD22 LEU 14 1HD2 LEU 14 1.521 -9.443 2.844
84 HD23 LEU 14 2HD2 LEU 14 1.647 -11.206 2.791
85 H LYS 15 H LYS 15 -0.679 -5.581 4.941
86 HA LYS 15 HA LYS 15 -3.349 -5.239 6.107
87 HB2 LYS 15 1HB LYS 15 -1.330 -4.125 7.041
88 HB3 LYS 15 2HB LYS 15 -1.104 -3.304 5.479
89 HG2 LYS 15 1HG LYS 15 -3.159 -2.080 5.760
90 HG3 LYS 15 2HG LYS 15 -3.616 -3.032 7.191
91 HD2 LYS 15 1HD LYS 15 -1.703 -2.041 8.417
92 HD3 LYS 15 2HD LYS 15 -1.279 -1.085 6.994
93 HE2 LYS 15 1HE LYS 15 -3.884 -0.960 8.585
94 HE3 LYS 15 2HE LYS 15 -2.580 0.225 8.608
95 HZ1 LYS 15 3HZ LYS 15 -4.372 0.962 7.159
96 HZ2 LYS 15 1HZ LYS 15 -4.308 -0.393 6.249
97 HZ3 LYS 15 2HZ LYS 15 -3.060 0.662 6.228
98 H LYS 16 H LYS 16 -5.105 -4.209 5.217
99 HA LYS 16 HA LYS 16 -5.014 -3.370 2.392
100 HB2 LYS 16 1HB LYS 16 -6.780 -4.887 3.172
101 HB3 LYS 16 2HB LYS 16 -7.383 -3.643 4.273
102 HG2 LYS 16 1HG LYS 16 -7.995 -2.200 2.442
103 HG3 LYS 16 2HG LYS 16 -7.170 -3.215 1.255
104 HD2 LYS 16 1HD LYS 16 -9.539 -4.174 2.909
105 HD3 LYS 16 2HD LYS 16 -9.699 -3.352 1.348
106 HE2 LYS 16 1HE LYS 16 -8.121 -5.134 0.385
107 HE3 LYS 16 2HE LYS 16 -8.352 -6.029 1.896
108 HZ1 LYS 16 3HZ LYS 16 -10.767 -6.009 1.405
109 HZ2 LYS 16 1HZ LYS 16 -9.938 -6.736 0.198
110 HZ3 LYS 16 2HZ LYS 16 -10.490 -5.209 -0.004
111 H PHE 17 H PHE 17 -5.652 -1.455 1.595
112 HA PHE 17 HA PHE 17 -5.835 0.975 3.314
113 HB2 PHE 17 1HB PHE 17 -4.109 0.503 0.842
114 HB3 PHE 17 2HB PHE 17 -4.406 2.082 1.547
115 HD1 PHE 17 1HD PHE 17 -2.740 -1.188 2.081
116 HD2 PHE 17 2HD PHE 17 -3.346 2.805 3.600
117 HE1 PHE 17 1HE PHE 17 -0.933 -1.541 3.744
118 HE2 PHE 17 2HE PHE 17 -1.503 2.466 5.230
119 HZ PHE 17 HZ PHE 17 -0.346 0.266 5.336
120 H VAL 18 H VAL 18 -6.896 2.741 2.371
121 HA VAL 18 HA VAL 18 -9.177 2.179 0.739
122 HB VAL 18 HB VAL 18 -9.121 3.856 2.506
123 HG11 VAL 18 1HG1 VAL 18 -7.361 5.571 0.686
124 HG12 VAL 18 2HG1 VAL 18 -8.105 6.069 2.212
125 HG13 VAL 18 3HG1 VAL 18 -6.873 4.812 2.219
126 HG21 VAL 18 3HG2 VAL 18 -9.764 5.196 -0.144
127 HG22 VAL 18 1HG2 VAL 18 -10.814 4.035 0.702
128 HG23 VAL 18 2HG2 VAL 18 -10.416 5.587 1.456
129 H SER 19 H SER 19 -5.976 3.347 -0.126
130 HA SER 19 HA SER 19 -6.659 3.298 -3.004
131 HB2 SER 19 1HB SER 19 -7.116 5.596 -2.434
132 HB3 SER 19 2HB SER 19 -5.587 5.741 -1.553
133 HG SER 19 HG SER 19 -5.647 6.587 -3.779
134 H SER 20 H SER 20 -4.880 3.095 -4.362
135 HA SER 20 HA SER 20 -2.601 1.627 -3.514
136 HB2 SER 20 1HB SER 20 -3.513 1.745 -5.843
137 HB3 SER 20 2HB SER 20 -2.914 3.405 -5.967
138 HG SER 20 HG SER 20 -1.428 0.992 -5.665
139 H ILE 21 H ILE 21 -3.112 5.165 -3.809
140 HA ILE 21 HA ILE 21 -0.322 5.867 -3.536
141 HB ILE 21 HB ILE 21 -2.911 7.413 -3.284
142 HG12 ILE 21 1HG1 ILE 21 -2.009 8.648 -5.225
143 HG13 ILE 21 2HG1 ILE 21 -0.540 7.677 -5.200
144 HG21 ILE 21 1HG2 ILE 21 -0.093 8.474 -2.811
145 HG22 ILE 21 2HG2 ILE 21 -1.519 9.495 -3.113
146 HG23 ILE 21 3HG2 ILE 21 -1.453 8.497 -1.664
147 HD11 ILE 21 3HD1 ILE 21 -2.182 7.076 -6.992
148 HD12 ILE 21 1HD1 ILE 21 -1.759 5.715 -5.951
149 HD13 ILE 21 2HD1 ILE 21 -3.322 6.552 -5.736
150 H ARG 22 H ARG 22 -2.916 5.427 -1.124
151 HA ARG 22 HA ARG 22 -1.343 6.238 1.187
152 HB2 ARG 22 1HB ARG 22 -3.662 4.257 1.023
153 HB3 ARG 22 2HB ARG 22 -3.011 4.958 2.491
154 HG2 ARG 22 1HG ARG 22 -4.561 6.371 0.299
155 HG3 ARG 22 2HG ARG 22 -5.059 6.068 1.960
156 HD2 ARG 22 1HD ARG 22 -2.914 7.971 1.034
157 HD3 ARG 22 2HD ARG 22 -4.512 8.399 1.646
158 HE ARG 22 HE ARG 22 -3.337 6.890 3.688
159 HH11 ARG 22 2HH1 ARG 22 -2.636 9.964 2.161
160 HH12 ARG 22 1HH1 ARG 22 -1.865 10.599 3.589
161 HH21 ARG 22 2HH2 ARG 22 -2.332 7.758 5.469
162 HH22 ARG 22 1HH2 ARG 22 -1.705 9.378 5.409
163 H LEU 23 H LEU 23 -1.797 3.137 -0.484
164 HA LEU 23 HA LEU 23 -0.225 1.566 1.322
165 HB2 LEU 23 1HB LEU 23 -1.848 0.503 -0.055
166 HB3 LEU 23 2HB LEU 23 -1.217 1.237 -1.524
167 HG LEU 23 HG LEU 23 0.819 -0.098 -1.392
168 HD11 LEU 23 1HD1 LEU 23 -0.454 -1.603 0.928
169 HD12 LEU 23 2HD1 LEU 23 0.837 -0.411 1.147
170 HD13 LEU 23 3HD1 LEU 23 1.154 -1.844 0.195
171 HD21 LEU 23 3HD2 LEU 23 -1.726 -1.746 -1.169
172 HD22 LEU 23 1HD2 LEU 23 -0.198 -2.281 -1.902
173 HD23 LEU 23 2HD2 LEU 23 -1.112 -0.951 -2.637
174 H ARG 24 H ARG 24 0.634 3.222 -1.782
175 HA ARG 24 HA ARG 24 3.294 2.298 -2.028
176 HB2 ARG 24 1HB ARG 24 2.016 4.967 -2.738
177 HB3 ARG 24 2HB ARG 24 3.682 4.583 -3.169
178 HG2 ARG 24 1HG ARG 24 3.050 2.776 -4.608
179 HG3 ARG 24 2HG ARG 24 1.409 2.751 -3.996
180 HD2 ARG 24 1HD ARG 24 1.373 5.276 -4.889
181 HD3 ARG 24 2HD ARG 24 2.710 4.694 -5.893
182 HE ARG 24 HE ARG 24 0.243 3.045 -5.859
183 HH11 ARG 24 2HH1 ARG 24 1.892 5.587 -7.642
184 HH12 ARG 24 1HH1 ARG 24 0.900 5.331 -9.053
185 HH21 ARG 24 2HH2 ARG 24 -0.932 2.791 -7.600
186 HH22 ARG 24 1HH2 ARG 24 -0.675 3.751 -9.046
187 H SER 25 H SER 25 2.232 5.299 -0.410
188 HA SER 25 HA SER 25 4.813 5.941 0.638
189 HB2 SER 25 1HB SER 25 1.993 6.790 1.374
190 HB3 SER 25 2HB SER 25 3.454 7.508 2.109
191 HG SER 25 HG SER 25 2.712 8.694 0.272
192 H HIS 26 H HIS 26 2.139 4.009 2.118
193 HA HIS 26 HA HIS 26 3.303 3.656 4.691
194 HB2 HIS 26 1HB HIS 26 1.162 2.772 4.480
195 HB3 HIS 26 2HB HIS 26 1.489 2.000 2.943
196 HD1 HIS 26 1HD HIS 26 1.885 1.331 6.678
197 HD2 HIS 26 2HD HIS 26 2.632 -0.441 2.936
198 HE1 HIS 26 1HE HIS 26 2.294 -1.130 7.146
199 H ILE 27 H ILE 27 3.989 1.848 1.624
200 HA ILE 27 HA ILE 27 5.843 0.062 2.874
201 HB ILE 27 HB ILE 27 5.830 0.976 -0.024
202 HG12 ILE 27 1HG1 ILE 27 4.587 -1.575 1.114
203 HG13 ILE 27 2HG1 ILE 27 3.653 -0.122 0.823
204 HG21 ILE 27 1HG2 ILE 27 7.091 -1.069 -0.471
205 HG22 ILE 27 2HG2 ILE 27 7.944 -0.137 0.747
206 HG23 ILE 27 3HG2 ILE 27 6.980 -1.549 1.235
207 HD11 ILE 27 3HD1 ILE 27 3.366 -1.539 -1.078
208 HD12 ILE 27 1HD1 ILE 27 4.360 -0.152 -1.579
209 HD13 ILE 27 2HD1 ILE 27 5.114 -1.737 -1.284
210 H ARG 28 H ARG 28 6.357 3.299 1.417
211 HA ARG 28 HA ARG 28 9.239 3.206 1.743
212 HB2 ARG 28 1HB ARG 28 7.574 5.738 1.675
213 HB3 ARG 28 2HB ARG 28 9.260 5.517 1.215
214 HG2 ARG 28 1HG ARG 28 6.775 4.676 -0.283
215 HG3 ARG 28 2HG ARG 28 8.033 5.794 -0.793
216 HD2 ARG 28 1HD ARG 28 9.613 3.820 -0.860
217 HD3 ARG 28 2HD ARG 28 8.208 2.765 -0.558
218 HE ARG 28 HE ARG 28 7.289 4.082 -2.684
219 HH11 ARG 28 2HH1 ARG 28 10.517 2.659 -2.325
220 HH12 ARG 28 1HH1 ARG 28 10.598 2.411 -4.085
221 HH21 ARG 28 2HH2 ARG 28 7.643 3.674 -4.909
222 HH22 ARG 28 1HH2 ARG 28 9.174 2.914 -5.355
223 H GLU 29 H GLU 29 6.652 4.471 3.830
224 HA GLU 29 HA GLU 29 8.466 5.584 5.813
225 HB2 GLU 29 1HB GLU 29 5.480 4.975 5.822
226 HB3 GLU 29 2HB GLU 29 6.327 5.733 7.174
227 HG2 GLU 29 1HG GLU 29 7.063 7.571 5.705
228 HG3 GLU 29 2HG GLU 29 6.180 6.857 4.357
229 H VAL 30 H VAL 30 6.713 2.501 5.576
230 HA VAL 30 HA VAL 30 7.599 1.766 8.320
231 HB VAL 30 HB VAL 30 5.350 0.574 6.664
232 HG11 VAL 30 1HG1 VAL 30 4.484 -0.155 8.873
233 HG12 VAL 30 2HG1 VAL 30 6.037 -0.897 8.495
234 HG13 VAL 30 3HG1 VAL 30 5.962 0.459 9.645
235 HG21 VAL 30 3HG2 VAL 30 4.839 2.956 7.037
236 HG22 VAL 30 1HG2 VAL 30 3.846 1.974 8.111
237 HG23 VAL 30 2HG2 VAL 30 5.280 2.808 8.748
238 H HIS 31 H HIS 31 7.911 0.640 4.992
239 HA HIS 31 HA HIS 31 9.484 -1.709 6.001
240 HB2 HIS 31 1HB HIS 31 8.123 -1.389 3.317
241 HB3 HIS 31 2HB HIS 31 8.988 -2.800 3.907
242 HD1 HIS 31 1HD HIS 31 7.719 -3.480 6.604
243 HD2 HIS 31 2HD HIS 31 5.611 -1.997 3.293
244 HE1 HIS 31 1HE HIS 31 5.314 -4.225 6.919
245 H GLY 32 H GLY 32 9.784 1.295 4.320
246 HA2 GLY 32 1HA GLY 32 11.646 2.424 3.647
247 HA3 GLY 32 2HA GLY 32 12.635 1.177 4.412
248 H ALA 33 H ALA 33 10.432 0.389 1.739
249 HA ALA 33 HA ALA 33 12.477 -0.834 0.216
250 HB1 ALA 33 1HB ALA 33 10.074 -1.500 0.213
251 HB2 ALA 33 2HB ALA 33 9.691 0.007 -0.665
252 HB3 ALA 33 3HB ALA 33 10.718 -1.227 -1.416
253 H ALA 34 H ALA 34 13.772 -0.105 -1.178
254 HA ALA 34 HA ALA 34 13.749 2.673 -2.177
255 HB1 ALA 34 1HB ALA 34 15.748 1.745 -1.066
256 HB2 ALA 34 2HB ALA 34 15.893 0.522 -2.350
257 HB3 ALA 34 3HB ALA 34 16.092 2.246 -2.730
258 H GLN 35 H GLN 35 12.127 0.230 -3.346
259 HA GLN 35 HA GLN 35 13.050 -0.229 -6.016
260 HB2 GLN 35 1HB GLN 35 10.281 -0.593 -4.795
261 HB3 GLN 35 2HB GLN 35 10.805 -1.247 -6.343
262 HG2 GLN 35 1HG GLN 35 11.964 -1.987 -3.615
263 HG3 GLN 35 2HG GLN 35 10.851 -2.952 -4.573
264 HE21 GLN 35 1HE2 GLN 35 11.680 -3.682 -6.813
265 HE22 GLN 35 2HE2 GLN 35 13.403 -4.018 -6.923
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -18.899 5.740 -6.307
2 H2 GLY 1 2H GLY 1 -18.118 6.322 -4.991
3 H3 GLY 1 3H GLY 1 -19.563 6.956 -5.431
4 HA2 GLY 1 1HA GLY 1 -19.843 5.517 -3.524
5 HA3 GLY 1 2HA GLY 1 -20.703 4.902 -4.947
6 H SER 2 H SER 2 -19.478 3.569 -2.516
7 HA SER 2 HA SER 2 -17.878 1.460 -3.905
8 HB2 SER 2 1HB SER 2 -17.202 2.719 -1.219
9 HB3 SER 2 2HB SER 2 -16.377 1.338 -1.963
10 HG SER 2 HG SER 2 -15.280 3.327 -2.337
11 H SER 3 H SER 3 -17.960 -0.611 -2.960
12 HA SER 3 HA SER 3 -19.803 -1.149 -0.718
13 HB2 SER 3 1HB SER 3 -21.114 -2.772 -2.017
14 HB3 SER 3 2HB SER 3 -21.296 -1.129 -2.644
15 HG SER 3 HG SER 3 -20.969 -2.663 -4.322
16 H GLY 4 H GLY 4 -19.770 -3.403 -0.019
17 HA2 GLY 4 1HA GLY 4 -18.743 -5.388 0.554
18 HA3 GLY 4 2HA GLY 4 -17.809 -5.298 -0.935
19 H SER 5 H SER 5 -16.170 -6.291 0.445
20 HA SER 5 HA SER 5 -14.771 -4.550 2.386
21 HB2 SER 5 1HB SER 5 -13.613 -6.624 3.031
22 HB3 SER 5 2HB SER 5 -15.375 -6.768 3.126
23 HG SER 5 HG SER 5 -14.427 -8.590 2.099
24 H SER 6 H SER 6 -14.575 -4.530 -0.784
25 HA SER 6 HA SER 6 -11.959 -5.280 -1.512
26 HB2 SER 6 1HB SER 6 -13.732 -3.144 -2.752
27 HB3 SER 6 2HB SER 6 -12.338 -3.925 -3.524
28 HG SER 6 HG SER 6 -14.334 -4.912 -4.115
29 H GLY 7 H GLY 7 -10.053 -4.196 -1.887
30 HA2 GLY 7 1HA GLY 7 -9.528 -1.431 -1.650
31 HA3 GLY 7 2HA GLY 7 -9.171 -2.172 -0.087
32 H TYR 8 H TYR 8 -7.083 -1.055 -1.177
33 HA TYR 8 HA TYR 8 -5.496 -2.955 -2.825
34 HB2 TYR 8 1HB TYR 8 -4.775 -0.255 -1.626
35 HB3 TYR 8 2HB TYR 8 -3.771 -1.204 -2.708
36 HD1 TYR 8 2HD TYR 8 -6.874 0.835 -2.484
37 HD2 TYR 8 1HD TYR 8 -4.174 -1.285 -5.099
38 HE1 TYR 8 2HE TYR 8 -7.944 1.908 -4.463
39 HE2 TYR 8 1HE TYR 8 -5.235 -0.203 -7.072
40 HH TYR 8 HH TYR 8 -6.849 1.249 -7.813
41 H VAL 9 H VAL 9 -3.646 -4.099 -1.965
42 HA VAL 9 HA VAL 9 -3.369 -4.025 1.000
43 HB VAL 9 HB VAL 9 -3.621 -6.576 -0.620
44 HG11 VAL 9 1HG1 VAL 9 -3.281 -6.032 2.367
45 HG12 VAL 9 2HG1 VAL 9 -3.739 -7.610 1.684
46 HG13 VAL 9 3HG1 VAL 9 -2.175 -6.905 1.291
47 HG21 VAL 9 3HG2 VAL 9 -5.571 -5.307 1.350
48 HG22 VAL 9 1HG2 VAL 9 -5.837 -5.514 -0.396
49 HG23 VAL 9 2HG2 VAL 9 -5.725 -6.931 0.646
50 H CYS 10 H CYS 10 -1.445 -4.302 1.856
51 HA CYS 10 HA CYS 10 0.957 -3.926 0.393
52 HB2 CYS 10 1HB CYS 10 0.446 -3.268 2.730
53 HB3 CYS 10 2HB CYS 10 0.482 -4.973 3.202
54 H ALA 11 H ALA 11 2.438 -5.225 -0.453
55 HA ALA 11 HA ALA 11 1.913 -8.107 -0.681
56 HB1 ALA 11 1HB ALA 11 3.785 -8.055 -2.268
57 HB2 ALA 11 2HB ALA 11 2.611 -6.779 -2.637
58 HB3 ALA 11 3HB ALA 11 4.143 -6.372 -1.828
59 H LEU 12 H LEU 12 3.428 -6.217 1.641
60 HA LEU 12 HA LEU 12 5.545 -8.225 2.280
61 HB2 LEU 12 1HB LEU 12 5.330 -5.335 3.184
62 HB3 LEU 12 2HB LEU 12 6.640 -6.460 3.459
63 HG LEU 12 HG LEU 12 6.918 -6.488 0.855
64 HD11 LEU 12 1HD1 LEU 12 4.903 -5.224 0.146
65 HD12 LEU 12 2HD1 LEU 12 6.346 -4.287 -0.204
66 HD13 LEU 12 3HD1 LEU 12 5.353 -3.880 1.207
67 HD21 LEU 12 3HD2 LEU 12 8.455 -5.469 2.494
68 HD22 LEU 12 1HD2 LEU 12 7.438 -4.017 2.510
69 HD23 LEU 12 2HD2 LEU 12 8.327 -4.463 1.034
70 H CYS 13 H CYS 13 3.251 -6.064 3.932
71 HA CYS 13 HA CYS 13 3.110 -7.983 6.214
72 HB2 CYS 13 1HB CYS 13 2.574 -6.259 7.695
73 HB3 CYS 13 2HB CYS 13 4.043 -5.865 6.820
74 H LEU 14 H LEU 14 1.232 -7.238 3.606
75 HA LEU 14 HA LEU 14 -0.897 -7.607 2.992
76 HB2 LEU 14 1HB LEU 14 -0.527 -9.739 5.078
77 HB3 LEU 14 2HB LEU 14 -2.008 -9.600 4.148
78 HG LEU 14 HG LEU 14 -0.798 -9.837 2.032
79 HD11 LEU 14 1HD1 LEU 14 1.537 -10.769 2.055
80 HD12 LEU 14 2HD1 LEU 14 1.672 -10.290 3.764
81 HD13 LEU 14 3HD1 LEU 14 1.460 -9.068 2.483
82 HD21 LEU 14 3HD2 LEU 14 -1.756 -11.785 3.204
83 HD22 LEU 14 1HD2 LEU 14 -0.215 -12.041 4.050
84 HD23 LEU 14 2HD2 LEU 14 -0.312 -12.228 2.285
85 H LYS 15 H LYS 15 -0.574 -5.470 4.895
86 HA LYS 15 HA LYS 15 -3.165 -5.102 6.212
87 HB2 LYS 15 1HB LYS 15 -0.981 -4.129 6.954
88 HB3 LYS 15 2HB LYS 15 -0.957 -3.185 5.446
89 HG2 LYS 15 1HG LYS 15 -2.875 -1.887 6.134
90 HG3 LYS 15 2HG LYS 15 -3.230 -2.977 7.479
91 HD2 LYS 15 1HD LYS 15 -0.724 -1.246 7.296
92 HD3 LYS 15 2HD LYS 15 -2.211 -0.784 8.138
93 HE2 LYS 15 1HE LYS 15 -2.008 -2.863 9.548
94 HE3 LYS 15 2HE LYS 15 -0.444 -3.187 8.788
95 HZ1 LYS 15 3HZ LYS 15 -0.184 -2.008 10.892
96 HZ2 LYS 15 1HZ LYS 15 -1.103 -0.764 10.380
97 HZ3 LYS 15 2HZ LYS 15 0.348 -1.054 9.682
98 H LYS 16 H LYS 16 -4.892 -3.875 5.495
99 HA LYS 16 HA LYS 16 -5.047 -3.341 2.588
100 HB2 LYS 16 1HB LYS 16 -6.634 -4.890 3.663
101 HB3 LYS 16 2HB LYS 16 -7.262 -3.568 4.651
102 HG2 LYS 16 1HG LYS 16 -8.076 -2.395 2.672
103 HG3 LYS 16 2HG LYS 16 -7.318 -3.572 1.592
104 HD2 LYS 16 1HD LYS 16 -9.484 -4.263 3.622
105 HD3 LYS 16 2HD LYS 16 -9.812 -3.833 1.937
106 HE2 LYS 16 1HE LYS 16 -8.504 -5.734 1.127
107 HE3 LYS 16 2HE LYS 16 -8.033 -6.168 2.776
108 HZ1 LYS 16 3HZ LYS 16 -9.932 -7.488 1.940
109 HZ2 LYS 16 1HZ LYS 16 -10.845 -6.128 1.819
110 HZ3 LYS 16 2HZ LYS 16 -10.334 -6.648 3.281
111 H PHE 17 H PHE 17 -5.779 -1.508 1.665
112 HA PHE 17 HA PHE 17 -5.856 1.028 3.232
113 HB2 PHE 17 1HB PHE 17 -4.187 0.363 0.771
114 HB3 PHE 17 2HB PHE 17 -4.391 1.982 1.422
115 HD1 PHE 17 2HD PHE 17 -3.460 2.614 3.635
116 HD2 PHE 17 1HD PHE 17 -2.723 -1.264 1.888
117 HE1 PHE 17 2HE PHE 17 -1.662 2.203 5.297
118 HE2 PHE 17 1HE PHE 17 -0.923 -1.661 3.542
119 HZ PHE 17 HZ PHE 17 -0.427 0.047 5.274
120 H VAL 18 H VAL 18 -6.858 2.758 2.312
121 HA VAL 18 HA VAL 18 -9.167 2.334 0.669
122 HB VAL 18 HB VAL 18 -9.172 3.940 2.443
123 HG11 VAL 18 1HG1 VAL 18 -7.101 5.579 0.929
124 HG12 VAL 18 2HG1 VAL 18 -7.921 6.042 2.426
125 HG13 VAL 18 3HG1 VAL 18 -6.802 4.685 2.445
126 HG21 VAL 18 3HG2 VAL 18 -10.587 4.497 0.447
127 HG22 VAL 18 1HG2 VAL 18 -10.097 5.905 1.415
128 HG23 VAL 18 2HG2 VAL 18 -9.279 5.577 -0.117
129 H SER 19 H SER 19 -5.910 3.419 -0.156
130 HA SER 19 HA SER 19 -6.584 3.402 -3.032
131 HB2 SER 19 1HB SER 19 -7.052 5.678 -2.555
132 HB3 SER 19 2HB SER 19 -5.614 5.853 -1.547
133 HG SER 19 HG SER 19 -5.495 6.708 -3.762
134 H SER 20 H SER 20 -4.772 3.221 -4.400
135 HA SER 20 HA SER 20 -2.552 1.679 -3.487
136 HB2 SER 20 1HB SER 20 -1.631 2.127 -5.746
137 HB3 SER 20 2HB SER 20 -3.311 1.567 -5.780
138 HG SER 20 HG SER 20 -2.999 3.358 -7.172
139 H ILE 21 H ILE 21 -2.994 5.192 -3.806
140 HA ILE 21 HA ILE 21 -0.223 5.934 -3.515
141 HB ILE 21 HB ILE 21 -2.773 7.432 -2.788
142 HG12 ILE 21 1HG1 ILE 21 -2.793 6.919 -5.149
143 HG13 ILE 21 2HG1 ILE 21 -2.485 8.626 -4.913
144 HG21 ILE 21 1HG2 ILE 21 0.098 8.406 -2.999
145 HG22 ILE 21 2HG2 ILE 21 -1.321 9.485 -3.005
146 HG23 ILE 21 3HG2 ILE 21 -0.987 8.481 -1.594
147 HD11 ILE 21 3HD1 ILE 21 -1.104 7.771 -6.720
148 HD12 ILE 21 1HD1 ILE 21 -0.050 8.239 -5.376
149 HD13 ILE 21 2HD1 ILE 21 -0.413 6.520 -5.679
150 H ARG 22 H ARG 22 -2.790 5.395 -1.110
151 HA ARG 22 HA ARG 22 -1.222 6.136 1.221
152 HB2 ARG 22 1HB ARG 22 -3.570 4.199 1.081
153 HB3 ARG 22 2HB ARG 22 -2.993 5.052 2.504
154 HG2 ARG 22 1HG ARG 22 -4.310 6.316 0.063
155 HG3 ARG 22 2HG ARG 22 -5.053 5.999 1.632
156 HD2 ARG 22 1HD ARG 22 -3.547 7.602 2.703
157 HD3 ARG 22 2HD ARG 22 -2.789 7.921 1.136
158 HE ARG 22 HE ARG 22 -4.628 9.159 0.445
159 HH11 ARG 22 2HH1 ARG 22 -5.437 7.741 3.551
160 HH12 ARG 22 1HH1 ARG 22 -6.862 8.729 3.723
161 HH21 ARG 22 2HH2 ARG 22 -6.455 10.373 0.735
162 HH22 ARG 22 1HH2 ARG 22 -7.417 10.173 2.169
163 H LEU 23 H LEU 23 -1.804 3.079 -0.475
164 HA LEU 23 HA LEU 23 -0.281 1.390 1.269
165 HB2 LEU 23 1HB LEU 23 -1.886 0.403 -0.175
166 HB3 LEU 23 2HB LEU 23 -1.255 1.230 -1.595
167 HG LEU 23 HG LEU 23 0.766 -0.118 -1.577
168 HD11 LEU 23 1HD1 LEU 23 -0.445 -1.739 0.697
169 HD12 LEU 23 2HD1 LEU 23 0.860 -0.570 0.935
170 HD13 LEU 23 3HD1 LEU 23 1.137 -1.947 -0.108
171 HD21 LEU 23 3HD2 LEU 23 -0.245 -2.275 -2.174
172 HD22 LEU 23 1HD2 LEU 23 -1.191 -0.921 -2.816
173 HD23 LEU 23 2HD2 LEU 23 -1.757 -1.798 -1.374
174 H ARG 24 H ARG 24 0.630 3.109 -1.797
175 HA ARG 24 HA ARG 24 3.307 2.154 -1.907
176 HB2 ARG 24 1HB ARG 24 1.964 4.688 -2.901
177 HB3 ARG 24 2HB ARG 24 3.682 4.389 -3.186
178 HG2 ARG 24 1HG ARG 24 3.277 2.446 -4.500
179 HG3 ARG 24 2HG ARG 24 1.584 2.342 -4.001
180 HD2 ARG 24 1HD ARG 24 1.120 4.510 -5.123
181 HD3 ARG 24 2HD ARG 24 2.810 4.574 -5.671
182 HE ARG 24 HE ARG 24 1.698 2.092 -6.501
183 HH11 ARG 24 2HH1 ARG 24 1.333 5.479 -7.318
184 HH12 ARG 24 1HH1 ARG 24 0.774 5.125 -8.929
185 HH21 ARG 24 2HH2 ARG 24 0.995 1.712 -8.578
186 HH22 ARG 24 1HH2 ARG 24 0.597 3.046 -9.619
187 H SER 25 H SER 25 2.110 5.185 -0.449
188 HA SER 25 HA SER 25 4.624 5.982 0.652
189 HB2 SER 25 1HB SER 25 2.610 7.440 0.318
190 HB3 SER 25 2HB SER 25 1.815 6.616 1.673
191 HG SER 25 HG SER 25 2.884 8.586 2.281
192 H HIS 26 H HIS 26 2.048 3.899 2.076
193 HA HIS 26 HA HIS 26 3.198 3.556 4.659
194 HB2 HIS 26 1HB HIS 26 1.082 2.635 4.455
195 HB3 HIS 26 2HB HIS 26 1.399 1.899 2.902
196 HD1 HIS 26 1HD HIS 26 1.872 1.175 6.612
197 HD2 HIS 26 2HD HIS 26 2.630 -0.520 2.835
198 HE1 HIS 26 1HE HIS 26 2.451 -1.258 7.046
199 H ILE 27 H ILE 27 3.951 1.781 1.589
200 HA ILE 27 HA ILE 27 5.835 0.024 2.838
201 HB ILE 27 HB ILE 27 5.849 0.985 -0.044
202 HG12 ILE 27 1HG1 ILE 27 4.638 -1.607 1.030
203 HG13 ILE 27 2HG1 ILE 27 3.685 -0.172 0.731
204 HG21 ILE 27 1HG2 ILE 27 7.038 -1.535 1.190
205 HG22 ILE 27 2HG2 ILE 27 7.167 -1.020 -0.502
206 HG23 ILE 27 3HG2 ILE 27 7.979 -0.086 0.743
207 HD11 ILE 27 3HD1 ILE 27 4.465 -0.161 -1.654
208 HD12 ILE 27 1HD1 ILE 27 5.220 -1.744 -1.354
209 HD13 ILE 27 2HD1 ILE 27 3.466 -1.560 -1.194
210 H ARG 28 H ARG 28 6.285 3.279 1.403
211 HA ARG 28 HA ARG 28 9.158 3.285 1.734
212 HB2 ARG 28 1HB ARG 28 7.399 5.752 1.782
213 HB3 ARG 28 2HB ARG 28 9.087 5.615 1.303
214 HG2 ARG 28 1HG ARG 28 6.629 4.721 -0.215
215 HG3 ARG 28 2HG ARG 28 7.817 5.935 -0.686
216 HD2 ARG 28 1HD ARG 28 9.500 4.051 -0.813
217 HD3 ARG 28 2HD ARG 28 8.142 2.916 -0.574
218 HE ARG 28 HE ARG 28 7.311 4.441 -2.705
219 HH11 ARG 28 2HH1 ARG 28 10.264 2.589 -2.174
220 HH12 ARG 28 1HH1 ARG 28 10.351 2.187 -3.904
221 HH21 ARG 28 2HH2 ARG 28 7.664 3.861 -4.919
222 HH22 ARG 28 1HH2 ARG 28 9.072 2.857 -5.266
223 H GLU 29 H GLU 29 6.545 4.439 3.854
224 HA GLU 29 HA GLU 29 8.362 5.526 5.847
225 HB2 GLU 29 1HB GLU 29 5.375 4.953 5.838
226 HB3 GLU 29 2HB GLU 29 6.206 5.722 7.185
227 HG2 GLU 29 1HG GLU 29 6.172 6.848 4.350
228 HG3 GLU 29 2HG GLU 29 5.055 7.308 5.628
229 H VAL 30 H VAL 30 6.618 2.432 5.582
230 HA VAL 30 HA VAL 30 7.502 1.684 8.322
231 HB VAL 30 HB VAL 30 5.371 0.404 6.570
232 HG11 VAL 30 1HG1 VAL 30 5.987 0.101 9.537
233 HG12 VAL 30 2HG1 VAL 30 4.554 -0.554 8.714
234 HG13 VAL 30 3HG1 VAL 30 6.154 -1.152 8.286
235 HG21 VAL 30 3HG2 VAL 30 5.130 2.452 8.823
236 HG22 VAL 30 1HG2 VAL 30 4.689 2.698 7.120
237 HG23 VAL 30 2HG2 VAL 30 3.765 1.568 8.110
238 H HIS 31 H HIS 31 7.861 0.590 4.974
239 HA HIS 31 HA HIS 31 9.519 -1.709 5.957
240 HB2 HIS 31 1HB HIS 31 8.182 -1.367 3.267
241 HB3 HIS 31 2HB HIS 31 9.063 -2.774 3.844
242 HD1 HIS 31 1HD HIS 31 7.773 -3.489 6.531
243 HD2 HIS 31 2HD HIS 31 5.689 -2.061 3.181
244 HE1 HIS 31 1HE HIS 31 5.383 -4.297 6.802
245 H GLY 32 H GLY 32 9.760 1.335 4.335
246 HA2 GLY 32 1HA GLY 32 11.603 2.516 3.714
247 HA3 GLY 32 2HA GLY 32 12.605 1.283 4.489
248 H ALA 33 H ALA 33 10.517 0.453 1.750
249 HA ALA 33 HA ALA 33 12.689 -0.473 0.128
250 HB1 ALA 33 1HB ALA 33 10.939 -0.906 -1.522
251 HB2 ALA 33 2HB ALA 33 10.383 -1.425 0.082
252 HB3 ALA 33 3HB ALA 33 9.793 0.103 -0.621
253 H ALA 34 H ALA 34 13.962 0.679 -1.047
254 HA ALA 34 HA ALA 34 13.419 3.518 -1.643
255 HB1 ALA 34 1HB ALA 34 16.018 1.940 -1.721
256 HB2 ALA 34 2HB ALA 34 15.850 3.707 -1.814
257 HB3 ALA 34 3HB ALA 34 15.402 2.858 -0.325
258 H GLN 35 H GLN 35 12.734 0.970 -3.432
259 HA GLN 35 HA GLN 35 13.930 1.828 -6.012
260 HB2 GLN 35 1HB GLN 35 12.356 -0.657 -5.240
261 HB3 GLN 35 2HB GLN 35 12.960 -0.297 -6.864
262 HG2 GLN 35 1HG GLN 35 15.289 -0.195 -5.972
263 HG3 GLN 35 2HG GLN 35 14.692 -0.641 -4.375
264 HE21 GLN 35 1HE2 GLN 35 16.588 -2.294 -5.206
265 HE22 GLN 35 2HE2 GLN 35 15.914 -3.797 -5.828
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -19.882 -11.617 6.282
2 H2 GLY 1 2H GLY 1 -20.762 -11.343 4.926
3 H3 GLY 1 3H GLY 1 -19.609 -10.273 5.388
4 HA2 GLY 1 1HA GLY 1 -19.110 -13.042 4.509
5 HA3 GLY 1 2HA GLY 1 -18.833 -11.592 3.526
6 H SER 2 H SER 2 -16.884 -13.619 4.312
7 HA SER 2 HA SER 2 -15.174 -12.522 6.401
8 HB2 SER 2 1HB SER 2 -13.682 -14.392 5.744
9 HB3 SER 2 2HB SER 2 -15.338 -14.904 6.106
10 HG SER 2 HG SER 2 -14.528 -15.863 4.173
11 H SER 3 H SER 3 -15.476 -11.852 3.049
12 HA SER 3 HA SER 3 -13.124 -10.074 3.092
13 HB2 SER 3 1HB SER 3 -12.380 -12.326 2.189
14 HB3 SER 3 2HB SER 3 -13.508 -12.086 0.841
15 HG SER 3 HG SER 3 -11.340 -11.369 0.394
16 H GLY 4 H GLY 4 -13.105 -8.768 0.950
17 HA2 GLY 4 1HA GLY 4 -15.669 -8.357 -0.378
18 HA3 GLY 4 2HA GLY 4 -15.278 -7.070 0.759
19 H SER 5 H SER 5 -15.615 -6.970 -2.106
20 HA SER 5 HA SER 5 -13.168 -6.800 -3.550
21 HB2 SER 5 1HB SER 5 -15.855 -5.497 -4.136
22 HB3 SER 5 2HB SER 5 -14.550 -5.785 -5.302
23 HG SER 5 HG SER 5 -16.159 -7.424 -5.385
24 H SER 6 H SER 6 -12.499 -4.855 -4.779
25 HA SER 6 HA SER 6 -11.465 -2.869 -4.935
26 HB2 SER 6 1HB SER 6 -13.635 -1.765 -3.130
27 HB3 SER 6 2HB SER 6 -12.571 -0.837 -4.190
28 HG SER 6 HG SER 6 -13.502 -1.865 -5.985
29 H GLY 7 H GLY 7 -10.394 -0.984 -3.748
30 HA2 GLY 7 1HA GLY 7 -8.867 -0.258 -2.138
31 HA3 GLY 7 2HA GLY 7 -9.320 -1.580 -1.072
32 H TYR 8 H TYR 8 -6.811 -1.182 -1.014
33 HA TYR 8 HA TYR 8 -5.392 -3.047 -2.891
34 HB2 TYR 8 1HB TYR 8 -4.404 -0.359 -1.858
35 HB3 TYR 8 2HB TYR 8 -3.550 -1.447 -2.944
36 HD1 TYR 8 2HD TYR 8 -6.467 0.848 -2.647
37 HD2 TYR 8 1HD TYR 8 -4.012 -1.485 -5.320
38 HE1 TYR 8 2HE TYR 8 -7.552 1.946 -4.601
39 HE2 TYR 8 1HE TYR 8 -5.073 -0.361 -7.270
40 HH TYR 8 HH TYR 8 -6.627 1.170 -7.977
41 H VAL 9 H VAL 9 -3.580 -4.202 -1.988
42 HA VAL 9 HA VAL 9 -3.363 -4.067 0.988
43 HB VAL 9 HB VAL 9 -3.446 -6.625 -0.638
44 HG11 VAL 9 1HG1 VAL 9 -3.363 -6.077 2.367
45 HG12 VAL 9 2HG1 VAL 9 -3.643 -7.672 1.636
46 HG13 VAL 9 3HG1 VAL 9 -2.100 -6.855 1.396
47 HG21 VAL 9 3HG2 VAL 9 -5.606 -7.064 0.474
48 HG22 VAL 9 1HG2 VAL 9 -5.553 -5.458 1.227
49 HG23 VAL 9 2HG2 VAL 9 -5.713 -5.625 -0.539
50 H CYS 10 H CYS 10 -1.435 -4.266 1.895
51 HA CYS 10 HA CYS 10 0.992 -3.910 0.426
52 HB2 CYS 10 1HB CYS 10 0.458 -3.070 2.691
53 HB3 CYS 10 2HB CYS 10 0.448 -4.733 3.301
54 H ALA 11 H ALA 11 2.158 -5.338 -0.649
55 HA ALA 11 HA ALA 11 1.709 -8.192 -0.475
56 HB1 ALA 11 1HB ALA 11 3.503 -8.298 -2.162
57 HB2 ALA 11 2HB ALA 11 2.313 -7.050 -2.570
58 HB3 ALA 11 3HB ALA 11 3.887 -6.587 -1.885
59 H LEU 12 H LEU 12 3.404 -6.167 1.597
60 HA LEU 12 HA LEU 12 5.539 -8.131 2.270
61 HB2 LEU 12 1HB LEU 12 5.195 -5.228 3.112
62 HB3 LEU 12 2HB LEU 12 6.525 -6.294 3.504
63 HG LEU 12 HG LEU 12 7.026 -6.443 1.011
64 HD11 LEU 12 1HD1 LEU 12 6.342 -4.382 -0.315
65 HD12 LEU 12 2HD1 LEU 12 5.086 -4.084 0.903
66 HD13 LEU 12 3HD1 LEU 12 5.054 -5.550 -0.100
67 HD21 LEU 12 3HD2 LEU 12 7.112 -3.714 2.306
68 HD22 LEU 12 1HD2 LEU 12 8.233 -4.313 1.064
69 HD23 LEU 12 2HD2 LEU 12 8.236 -5.037 2.685
70 H CYS 13 H CYS 13 3.142 -6.077 3.893
71 HA CYS 13 HA CYS 13 3.093 -7.990 6.190
72 HB2 CYS 13 1HB CYS 13 2.609 -6.294 7.703
73 HB3 CYS 13 2HB CYS 13 4.030 -5.866 6.769
74 H LEU 14 H LEU 14 1.115 -7.376 3.638
75 HA LEU 14 HA LEU 14 -0.999 -7.852 3.111
76 HB2 LEU 14 1HB LEU 14 -0.694 -9.742 5.444
77 HB3 LEU 14 2HB LEU 14 -2.106 -9.728 4.421
78 HG LEU 14 HG LEU 14 -0.639 -11.496 3.791
79 HD11 LEU 14 1HD1 LEU 14 -2.021 -10.396 2.045
80 HD12 LEU 14 2HD1 LEU 14 -0.556 -11.163 1.407
81 HD13 LEU 14 3HD1 LEU 14 -0.619 -9.402 1.587
82 HD21 LEU 14 3HD2 LEU 14 1.464 -9.504 2.886
83 HD22 LEU 14 1HD2 LEU 14 1.526 -11.271 2.822
84 HD23 LEU 14 2HD2 LEU 14 1.558 -10.452 4.392
85 H LYS 15 H LYS 15 -0.616 -5.578 4.970
86 HA LYS 15 HA LYS 15 -3.233 -5.153 6.223
87 HB2 LYS 15 1HB LYS 15 -1.094 -4.167 7.033
88 HB3 LYS 15 2HB LYS 15 -0.973 -3.275 5.499
89 HG2 LYS 15 1HG LYS 15 -2.928 -1.943 6.041
90 HG3 LYS 15 2HG LYS 15 -3.334 -2.986 7.416
91 HD2 LYS 15 1HD LYS 15 -1.344 -2.245 8.628
92 HD3 LYS 15 2HD LYS 15 -0.819 -1.267 7.240
93 HE2 LYS 15 1HE LYS 15 -2.869 0.104 7.402
94 HE3 LYS 15 2HE LYS 15 -3.462 -0.902 8.727
95 HZ1 LYS 15 3HZ LYS 15 -2.430 1.121 9.568
96 HZ2 LYS 15 1HZ LYS 15 -1.009 0.774 8.844
97 HZ3 LYS 15 2HZ LYS 15 -1.562 -0.167 10.063
98 H LYS 16 H LYS 16 -4.962 -4.024 5.418
99 HA LYS 16 HA LYS 16 -4.971 -3.403 2.521
100 HB2 LYS 16 1HB LYS 16 -6.616 -5.002 3.490
101 HB3 LYS 16 2HB LYS 16 -7.348 -3.667 4.395
102 HG2 LYS 16 1HG LYS 16 -7.983 -2.540 2.332
103 HG3 LYS 16 2HG LYS 16 -7.009 -3.656 1.364
104 HD2 LYS 16 1HD LYS 16 -8.518 -5.532 2.092
105 HD3 LYS 16 2HD LYS 16 -9.548 -4.320 2.901
106 HE2 LYS 16 1HE LYS 16 -9.759 -3.109 0.717
107 HE3 LYS 16 2HE LYS 16 -8.770 -4.353 -0.055
108 HZ1 LYS 16 3HZ LYS 16 -11.431 -4.822 1.187
109 HZ2 LYS 16 1HZ LYS 16 -10.521 -5.970 0.451
110 HZ3 LYS 16 2HZ LYS 16 -11.116 -4.721 -0.417
111 H PHE 17 H PHE 17 -5.729 -1.572 1.625
112 HA PHE 17 HA PHE 17 -5.897 0.927 3.243
113 HB2 PHE 17 1HB PHE 17 -4.139 0.364 0.818
114 HB3 PHE 17 2HB PHE 17 -4.411 1.963 1.491
115 HD1 PHE 17 2HD PHE 17 -3.511 2.617 3.690
116 HD2 PHE 17 1HD PHE 17 -2.705 -1.265 1.988
117 HE1 PHE 17 2HE PHE 17 -1.716 2.254 5.367
118 HE2 PHE 17 1HE PHE 17 -0.920 -1.625 3.673
119 HZ PHE 17 HZ PHE 17 -0.447 0.118 5.374
120 H VAL 18 H VAL 18 -6.888 2.667 2.282
121 HA VAL 18 HA VAL 18 -9.161 2.164 0.609
122 HB VAL 18 HB VAL 18 -9.073 3.790 2.445
123 HG11 VAL 18 1HG1 VAL 18 -6.793 4.741 2.099
124 HG12 VAL 18 2HG1 VAL 18 -7.378 5.571 0.639
125 HG13 VAL 18 3HG1 VAL 18 -8.041 5.980 2.228
126 HG21 VAL 18 3HG2 VAL 18 -9.720 5.201 -0.165
127 HG22 VAL 18 1HG2 VAL 18 -10.783 4.037 0.664
128 HG23 VAL 18 2HG2 VAL 18 -10.349 5.567 1.450
129 H SER 19 H SER 19 -5.922 3.247 -0.164
130 HA SER 19 HA SER 19 -6.546 3.477 -3.050
131 HB2 SER 19 1HB SER 19 -6.989 5.709 -2.312
132 HB3 SER 19 2HB SER 19 -5.539 5.732 -1.301
133 HG SER 19 HG SER 19 -5.493 6.796 -3.487
134 H SER 20 H SER 20 -4.726 3.351 -4.393
135 HA SER 20 HA SER 20 -2.499 1.789 -3.503
136 HB2 SER 20 1HB SER 20 -1.588 2.282 -5.760
137 HB3 SER 20 2HB SER 20 -3.249 1.671 -5.784
138 HG SER 20 HG SER 20 -3.027 3.466 -7.171
139 H ILE 21 H ILE 21 -2.982 5.311 -3.766
140 HA ILE 21 HA ILE 21 -0.207 6.054 -3.454
141 HB ILE 21 HB ILE 21 -2.836 7.492 -3.002
142 HG12 ILE 21 1HG1 ILE 21 -1.991 8.983 -4.780
143 HG13 ILE 21 2HG1 ILE 21 -0.494 8.063 -4.880
144 HG21 ILE 21 1HG2 ILE 21 -0.058 8.594 -2.409
145 HG22 ILE 21 2HG2 ILE 21 -1.525 9.586 -2.577
146 HG23 ILE 21 3HG2 ILE 21 -1.404 8.426 -1.259
147 HD11 ILE 21 3HD1 ILE 21 -3.249 6.921 -5.517
148 HD12 ILE 21 1HD1 ILE 21 -2.138 7.613 -6.716
149 HD13 ILE 21 2HD1 ILE 21 -1.667 6.157 -5.833
150 H ARG 22 H ARG 22 -2.817 5.547 -1.065
151 HA ARG 22 HA ARG 22 -1.211 6.179 1.266
152 HB2 ARG 22 1HB ARG 22 -3.862 4.758 0.806
153 HB3 ARG 22 2HB ARG 22 -3.080 4.710 2.380
154 HG2 ARG 22 1HG ARG 22 -4.693 6.485 2.365
155 HG3 ARG 22 2HG ARG 22 -3.056 7.144 2.531
156 HD2 ARG 22 1HD ARG 22 -3.074 7.850 0.187
157 HD3 ARG 22 2HD ARG 22 -4.693 7.148 -0.023
158 HE ARG 22 HE ARG 22 -4.780 8.961 2.159
159 HH11 ARG 22 2HH2 ARG 22 -4.429 9.158 -1.325
160 HH12 ARG 22 1HH2 ARG 22 -5.096 10.765 -1.387
161 HH21 ARG 22 2HH1 ARG 22 -5.622 11.006 2.000
162 HH22 ARG 22 1HH1 ARG 22 -5.752 11.777 0.447
163 H LEU 23 H LEU 23 -1.809 3.144 -0.487
164 HA LEU 23 HA LEU 23 -0.281 1.482 1.291
165 HB2 LEU 23 1HB LEU 23 -1.891 0.484 -0.159
166 HB3 LEU 23 2HB LEU 23 -1.213 1.262 -1.587
167 HG LEU 23 HG LEU 23 0.802 -0.088 -1.449
168 HD11 LEU 23 1HD1 LEU 23 -0.505 -1.636 0.824
169 HD12 LEU 23 2HD1 LEU 23 0.803 -0.471 1.075
170 HD13 LEU 23 3HD1 LEU 23 1.102 -1.885 0.092
171 HD21 LEU 23 3HD2 LEU 23 -0.186 -2.264 -2.022
172 HD22 LEU 23 1HD2 LEU 23 -1.103 -0.928 -2.740
173 HD23 LEU 23 2HD2 LEU 23 -1.729 -1.760 -1.296
174 H ARG 24 H ARG 24 0.631 3.220 -1.762
175 HA ARG 24 HA ARG 24 3.286 2.231 -1.952
176 HB2 ARG 24 1HB ARG 24 1.978 4.845 -2.789
177 HB3 ARG 24 2HB ARG 24 3.679 4.538 -3.125
178 HG2 ARG 24 1HG ARG 24 3.240 2.700 -4.558
179 HG3 ARG 24 2HG ARG 24 1.580 2.521 -3.997
180 HD2 ARG 24 1HD ARG 24 1.034 4.760 -4.979
181 HD3 ARG 24 2HD ARG 24 2.684 4.842 -5.635
182 HE ARG 24 HE ARG 24 1.602 2.400 -6.513
183 HH11 ARG 24 2HH1 ARG 24 0.865 5.784 -7.043
184 HH12 ARG 24 1HH1 ARG 24 0.105 5.471 -8.579
185 HH21 ARG 24 2HH2 ARG 24 0.640 2.077 -8.493
186 HH22 ARG 24 1HH2 ARG 24 -0.004 3.429 -9.376
187 H SER 25 H SER 25 2.173 5.226 -0.389
188 HA SER 25 HA SER 25 4.710 5.954 0.706
189 HB2 SER 25 1HB SER 25 1.837 6.686 1.328
190 HB3 SER 25 2HB SER 25 3.217 7.421 2.194
191 HG SER 25 HG SER 25 2.569 8.653 0.355
192 H HIS 26 H HIS 26 2.055 3.953 2.136
193 HA HIS 26 HA HIS 26 3.197 3.565 4.709
194 HB2 HIS 26 1HB HIS 26 1.065 2.664 4.450
195 HB3 HIS 26 2HB HIS 26 1.431 1.895 2.923
196 HD1 HIS 26 1HD HIS 26 1.873 1.275 6.667
197 HD2 HIS 26 2HD HIS 26 2.619 -0.532 2.943
198 HE1 HIS 26 1HE HIS 26 2.431 -1.149 7.174
199 H ILE 27 H ILE 27 3.882 1.788 1.628
200 HA ILE 27 HA ILE 27 5.796 0.036 2.833
201 HB ILE 27 HB ILE 27 5.663 0.961 -0.059
202 HG12 ILE 27 1HG1 ILE 27 4.582 -1.641 1.122
203 HG13 ILE 27 2HG1 ILE 27 3.577 -0.228 0.859
204 HG21 ILE 27 1HG2 ILE 27 6.985 -1.056 -0.554
205 HG22 ILE 27 2HG2 ILE 27 7.859 -0.031 0.572
206 HG23 ILE 27 3HG2 ILE 27 7.006 -1.481 1.169
207 HD11 ILE 27 3HD1 ILE 27 4.176 -0.250 -1.569
208 HD12 ILE 27 1HD1 ILE 27 5.023 -1.794 -1.300
209 HD13 ILE 27 2HD1 ILE 27 3.281 -1.683 -1.019
210 H ARG 28 H ARG 28 6.222 3.294 1.403
211 HA ARG 28 HA ARG 28 9.114 3.209 1.643
212 HB2 ARG 28 1HB ARG 28 7.410 5.715 1.617
213 HB3 ARG 28 2HB ARG 28 9.111 5.546 1.196
214 HG2 ARG 28 1HG ARG 28 6.683 4.767 -0.400
215 HG3 ARG 28 2HG ARG 28 8.029 5.797 -0.858
216 HD2 ARG 28 1HD ARG 28 9.476 3.692 -0.812
217 HD3 ARG 28 2HD ARG 28 7.987 2.760 -0.629
218 HE ARG 28 HE ARG 28 8.924 4.218 -3.021
219 HH11 ARG 28 2HH1 ARG 28 6.062 2.694 -1.674
220 HH12 ARG 28 1HH1 ARG 28 5.596 2.046 -3.230
221 HH21 ARG 28 2HH2 ARG 28 8.151 3.523 -4.968
222 HH22 ARG 28 1HH2 ARG 28 6.660 2.637 -5.049
223 H GLU 29 H GLU 29 6.600 4.436 3.871
224 HA GLU 29 HA GLU 29 8.670 5.416 5.703
225 HB2 GLU 29 1HB GLU 29 6.987 6.412 6.930
226 HB3 GLU 29 2HB GLU 29 6.530 6.595 5.233
227 HG2 GLU 29 1HG GLU 29 4.962 4.611 5.590
228 HG3 GLU 29 2HG GLU 29 5.338 4.741 7.311
229 H VAL 30 H VAL 30 6.617 2.556 5.600
230 HA VAL 30 HA VAL 30 7.518 1.754 8.319
231 HB VAL 30 HB VAL 30 5.423 0.411 6.574
232 HG11 VAL 30 1HG1 VAL 30 6.277 -1.085 8.318
233 HG12 VAL 30 2HG1 VAL 30 6.043 0.178 9.548
234 HG13 VAL 30 3HG1 VAL 30 4.649 -0.555 8.726
235 HG21 VAL 30 3HG2 VAL 30 3.799 1.532 8.184
236 HG22 VAL 30 1HG2 VAL 30 5.151 2.543 8.741
237 HG23 VAL 30 2HG2 VAL 30 4.594 2.624 7.055
238 H HIS 31 H HIS 31 7.813 0.619 4.955
239 HA HIS 31 HA HIS 31 9.483 -1.665 5.943
240 HB2 HIS 31 1HB HIS 31 8.054 -1.321 3.300
241 HB3 HIS 31 2HB HIS 31 8.975 -2.727 3.818
242 HD1 HIS 31 1HD HIS 31 7.817 -3.555 6.510
243 HD2 HIS 31 2HD HIS 31 5.564 -1.964 3.350
244 HE1 HIS 31 1HE HIS 31 5.440 -4.360 6.877
245 H GLY 32 H GLY 32 9.749 1.354 4.314
246 HA2 GLY 32 1HA GLY 32 11.560 2.484 3.519
247 HA3 GLY 32 2HA GLY 32 12.575 1.309 4.365
248 H ALA 33 H ALA 33 10.408 0.463 1.672
249 HA ALA 33 HA ALA 33 12.432 -0.996 0.343
250 HB1 ALA 33 1HB ALA 33 9.770 0.012 -0.740
251 HB2 ALA 33 2HB ALA 33 10.711 -1.357 -1.364
252 HB3 ALA 33 3HB ALA 33 9.993 -1.454 0.255
253 H ALA 34 H ALA 34 11.677 2.418 -0.036
254 HA ALA 34 HA ALA 34 13.857 2.857 -1.817
255 HB1 ALA 34 1HB ALA 34 12.162 2.220 -3.511
256 HB2 ALA 34 2HB ALA 34 11.021 3.398 -2.826
257 HB3 ALA 34 3HB ALA 34 12.517 3.954 -3.606
258 H GLN 35 H GLN 35 14.398 4.961 -1.837
259 HA GLN 35 HA GLN 35 13.023 6.954 -0.074
260 HB2 GLN 35 1HB GLN 35 16.009 6.321 -0.206
261 HB3 GLN 35 2HB GLN 35 15.311 7.736 0.567
262 HG2 GLN 35 1HG GLN 35 15.692 6.244 2.331
263 HG3 GLN 35 2HG GLN 35 13.957 6.214 2.057
264 HE21 GLN 35 1HE2 GLN 35 13.853 4.137 3.176
265 HE22 GLN 35 2HE2 GLN 35 14.366 2.671 2.332
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -22.508 0.311 4.259
2 H2 GLY 1 2H GLY 1 -21.165 0.743 5.093
3 H3 GLY 1 3H GLY 1 -21.364 -0.808 4.597
4 HA2 GLY 1 1HA GLY 1 -21.004 1.520 2.823
5 HA3 GLY 1 2HA GLY 1 -19.756 0.317 3.195
6 H SER 2 H SER 2 -20.527 0.879 0.577
7 HA SER 2 HA SER 2 -22.527 -0.889 -0.467
8 HB2 SER 2 1HB SER 2 -20.172 0.431 -1.861
9 HB3 SER 2 2HB SER 2 -21.572 -0.312 -2.658
10 HG SER 2 HG SER 2 -21.811 1.966 -2.427
11 H SER 3 H SER 3 -22.355 -2.772 -1.703
12 HA SER 3 HA SER 3 -20.296 -4.673 -0.920
13 HB2 SER 3 1HB SER 3 -22.525 -4.945 -2.968
14 HB3 SER 3 2HB SER 3 -21.561 -6.264 -2.285
15 HG SER 3 HG SER 3 -22.445 -5.798 -0.241
16 H GLY 4 H GLY 4 -18.699 -5.614 -2.154
17 HA2 GLY 4 1HA GLY 4 -17.292 -6.069 -3.903
18 HA3 GLY 4 2HA GLY 4 -18.484 -5.375 -4.999
19 H SER 5 H SER 5 -17.430 -3.094 -2.633
20 HA SER 5 HA SER 5 -16.216 -1.373 -4.550
21 HB2 SER 5 1HB SER 5 -16.074 -1.315 -1.513
22 HB3 SER 5 2HB SER 5 -15.594 0.013 -2.584
23 HG SER 5 HG SER 5 -17.725 0.142 -3.338
24 H SER 6 H SER 6 -14.107 -0.611 -4.794
25 HA SER 6 HA SER 6 -12.081 -2.695 -4.723
26 HB2 SER 6 1HB SER 6 -11.972 0.193 -5.669
27 HB3 SER 6 2HB SER 6 -10.664 -0.986 -5.859
28 HG SER 6 HG SER 6 -13.305 -1.199 -6.930
29 H GLY 7 H GLY 7 -9.935 -2.500 -3.946
30 HA2 GLY 7 1HA GLY 7 -9.013 -0.482 -2.134
31 HA3 GLY 7 2HA GLY 7 -9.520 -1.916 -1.236
32 H TYR 8 H TYR 8 -6.935 -1.173 -1.062
33 HA TYR 8 HA TYR 8 -5.355 -3.005 -2.844
34 HB2 TYR 8 1HB TYR 8 -4.584 -0.281 -1.725
35 HB3 TYR 8 2HB TYR 8 -3.547 -1.336 -2.673
36 HD1 TYR 8 2HD TYR 8 -6.646 0.737 -2.794
37 HD2 TYR 8 1HD TYR 8 -3.693 -1.427 -5.079
38 HE1 TYR 8 2HE TYR 8 -7.581 1.686 -4.887
39 HE2 TYR 8 1HE TYR 8 -4.613 -0.446 -7.180
40 HH TYR 8 HH TYR 8 -7.410 1.797 -7.178
41 H VAL 9 H VAL 9 -3.586 -4.141 -1.884
42 HA VAL 9 HA VAL 9 -3.398 -4.009 1.083
43 HB VAL 9 HB VAL 9 -3.566 -6.601 -0.491
44 HG11 VAL 9 1HG1 VAL 9 -3.759 -7.591 1.807
45 HG12 VAL 9 2HG1 VAL 9 -2.203 -6.807 1.530
46 HG13 VAL 9 3HG1 VAL 9 -3.439 -5.984 2.498
47 HG21 VAL 9 3HG2 VAL 9 -5.813 -5.555 -0.389
48 HG22 VAL 9 1HG2 VAL 9 -5.719 -6.974 0.656
49 HG23 VAL 9 2HG2 VAL 9 -5.629 -5.352 1.370
50 H CYS 10 H CYS 10 -1.455 -4.251 1.951
51 HA CYS 10 HA CYS 10 0.930 -3.900 0.449
52 HB2 CYS 10 1HB CYS 10 0.440 -3.141 2.763
53 HB3 CYS 10 2HB CYS 10 0.480 -4.828 3.307
54 H ALA 11 H ALA 11 2.129 -5.266 -0.644
55 HA ALA 11 HA ALA 11 1.709 -8.131 -0.611
56 HB1 ALA 11 1HB ALA 11 2.322 -6.878 -2.642
57 HB2 ALA 11 2HB ALA 11 3.880 -6.429 -1.915
58 HB3 ALA 11 3HB ALA 11 3.523 -8.131 -2.282
59 H LEU 12 H LEU 12 3.370 -6.172 1.561
60 HA LEU 12 HA LEU 12 5.496 -8.171 2.175
61 HB2 LEU 12 1HB LEU 12 5.237 -5.279 3.074
62 HB3 LEU 12 2HB LEU 12 6.557 -6.382 3.385
63 HG LEU 12 HG LEU 12 6.904 -6.465 0.821
64 HD11 LEU 12 1HD1 LEU 12 4.891 -5.337 -0.047
65 HD12 LEU 12 2HD1 LEU 12 6.281 -4.310 -0.342
66 HD13 LEU 12 3HD1 LEU 12 5.185 -3.938 1.000
67 HD21 LEU 12 3HD2 LEU 12 8.240 -4.401 0.940
68 HD22 LEU 12 1HD2 LEU 12 8.325 -5.280 2.481
69 HD23 LEU 12 2HD2 LEU 12 7.260 -3.870 2.325
70 H CYS 13 H CYS 13 3.181 -6.066 3.865
71 HA CYS 13 HA CYS 13 3.134 -7.998 6.141
72 HB2 CYS 13 1HB CYS 13 2.682 -6.302 7.669
73 HB3 CYS 13 2HB CYS 13 4.100 -5.891 6.722
74 H LEU 14 H LEU 14 1.137 -7.375 3.617
75 HA LEU 14 HA LEU 14 -1.000 -7.803 3.120
76 HB2 LEU 14 1HB LEU 14 -0.655 -9.723 5.421
77 HB3 LEU 14 2HB LEU 14 -2.105 -9.678 4.452
78 HG LEU 14 HG LEU 14 -0.668 -11.458 3.754
79 HD11 LEU 14 1HD1 LEU 14 -0.701 -11.109 1.369
80 HD12 LEU 14 2HD1 LEU 14 -0.758 -9.349 1.565
81 HD13 LEU 14 3HD1 LEU 14 -2.133 -10.349 2.085
82 HD21 LEU 14 3HD2 LEU 14 1.555 -10.418 4.253
83 HD22 LEU 14 1HD2 LEU 14 1.389 -9.458 2.761
84 HD23 LEU 14 2HD2 LEU 14 1.448 -11.224 2.678
85 H LYS 15 H LYS 15 -0.563 -5.539 4.915
86 HA LYS 15 HA LYS 15 -3.124 -5.098 6.283
87 HB2 LYS 15 1HB LYS 15 -0.914 -4.217 7.034
88 HB3 LYS 15 2HB LYS 15 -0.850 -3.247 5.545
89 HG2 LYS 15 1HG LYS 15 -2.741 -1.906 6.251
90 HG3 LYS 15 2HG LYS 15 -3.111 -2.999 7.588
91 HD2 LYS 15 1HD LYS 15 -0.563 -1.333 7.394
92 HD3 LYS 15 2HD LYS 15 -2.028 -0.848 8.265
93 HE2 LYS 15 1HE LYS 15 -1.852 -2.958 9.638
94 HE3 LYS 15 2HE LYS 15 -0.304 -3.299 8.853
95 HZ1 LYS 15 3HZ LYS 15 0.540 -1.198 9.774
96 HZ2 LYS 15 1HZ LYS 15 0.004 -2.163 10.974
97 HZ3 LYS 15 2HZ LYS 15 -0.895 -0.890 10.496
98 H LYS 16 H LYS 16 -4.829 -3.859 5.577
99 HA LYS 16 HA LYS 16 -4.970 -3.333 2.667
100 HB2 LYS 16 1HB LYS 16 -6.590 -4.837 3.814
101 HB3 LYS 16 2HB LYS 16 -7.232 -3.442 4.693
102 HG2 LYS 16 1HG LYS 16 -7.965 -2.401 2.599
103 HG3 LYS 16 2HG LYS 16 -7.121 -3.633 1.646
104 HD2 LYS 16 1HD LYS 16 -8.613 -5.377 2.688
105 HD3 LYS 16 2HD LYS 16 -9.526 -4.054 3.455
106 HE2 LYS 16 1HE LYS 16 -9.953 -3.088 1.187
107 HE3 LYS 16 2HE LYS 16 -9.058 -4.435 0.461
108 HZ1 LYS 16 3HZ LYS 16 -11.460 -4.845 0.433
109 HZ2 LYS 16 1HZ LYS 16 -11.557 -4.711 2.055
110 HZ3 LYS 16 2HZ LYS 16 -10.733 -5.954 1.384
111 H PHE 17 H PHE 17 -5.740 -1.532 1.729
112 HA PHE 17 HA PHE 17 -5.824 1.045 3.220
113 HB2 PHE 17 1HB PHE 17 -4.047 0.352 0.845
114 HB3 PHE 17 2HB PHE 17 -4.303 1.983 1.445
115 HD1 PHE 17 2HD PHE 17 -3.489 2.678 3.690
116 HD2 PHE 17 1HD PHE 17 -2.585 -1.210 2.051
117 HE1 PHE 17 2HE PHE 17 -1.753 2.343 5.433
118 HE2 PHE 17 1HE PHE 17 -0.850 -1.535 3.790
119 HZ PHE 17 HZ PHE 17 -0.465 0.221 5.507
120 H VAL 18 H VAL 18 -6.800 2.758 2.144
121 HA VAL 18 HA VAL 18 -9.096 2.103 0.570
122 HB VAL 18 HB VAL 18 -9.060 3.855 2.244
123 HG11 VAL 18 1HG1 VAL 18 -8.062 6.038 1.914
124 HG12 VAL 18 2HG1 VAL 18 -6.788 4.817 1.877
125 HG13 VAL 18 3HG1 VAL 18 -7.369 5.550 0.362
126 HG21 VAL 18 3HG2 VAL 18 -9.672 5.051 -0.480
127 HG22 VAL 18 1HG2 VAL 18 -10.740 3.952 0.427
128 HG23 VAL 18 2HG2 VAL 18 -10.335 5.547 1.088
129 H SER 19 H SER 19 -5.970 3.498 -0.345
130 HA SER 19 HA SER 19 -6.605 3.201 -3.231
131 HB2 SER 19 1HB SER 19 -5.514 5.776 -2.050
132 HB3 SER 19 2HB SER 19 -5.792 5.427 -3.760
133 HG SER 19 HG SER 19 -7.508 6.642 -2.883
134 H SER 20 H SER 20 -4.721 3.219 -4.600
135 HA SER 20 HA SER 20 -2.510 1.755 -3.685
136 HB2 SER 20 1HB SER 20 -1.481 2.395 -5.864
137 HB3 SER 20 2HB SER 20 -3.145 1.807 -6.011
138 HG SER 20 HG SER 20 -2.802 3.717 -7.244
139 H ILE 21 H ILE 21 -2.784 5.304 -4.053
140 HA ILE 21 HA ILE 21 -0.109 6.002 -3.451
141 HB ILE 21 HB ILE 21 -2.709 7.465 -2.841
142 HG12 ILE 21 1HG1 ILE 21 -2.476 7.080 -5.221
143 HG13 ILE 21 2HG1 ILE 21 -2.252 8.778 -4.850
144 HG21 ILE 21 1HG2 ILE 21 -1.068 8.462 -1.414
145 HG22 ILE 21 2HG2 ILE 21 0.151 8.478 -2.706
146 HG23 ILE 21 3HG2 ILE 21 -1.274 9.542 -2.796
147 HD11 ILE 21 3HD1 ILE 21 0.228 8.492 -5.089
148 HD12 ILE 21 1HD1 ILE 21 -0.041 6.788 -5.535
149 HD13 ILE 21 2HD1 ILE 21 -0.671 8.085 -6.558
150 H ARG 22 H ARG 22 -2.791 5.385 -1.169
151 HA ARG 22 HA ARG 22 -1.251 6.135 1.200
152 HB2 ARG 22 1HB ARG 22 -3.883 4.646 0.800
153 HB3 ARG 22 2HB ARG 22 -3.123 4.822 2.375
154 HG2 ARG 22 1HG ARG 22 -4.741 6.533 2.221
155 HG3 ARG 22 2HG ARG 22 -3.149 7.300 2.134
156 HD2 ARG 22 1HD ARG 22 -3.414 7.612 -0.298
157 HD3 ARG 22 2HD ARG 22 -4.931 6.709 -0.250
158 HE ARG 22 HE ARG 22 -6.045 8.544 0.594
159 HH11 ARG 22 2HH1 ARG 22 -2.621 9.309 0.774
160 HH12 ARG 22 1HH1 ARG 22 -2.933 10.986 1.122
161 HH21 ARG 22 2HH2 ARG 22 -6.354 10.685 1.054
162 HH22 ARG 22 1HH2 ARG 22 -4.987 11.735 1.283
163 H LEU 23 H LEU 23 -1.789 3.090 -0.533
164 HA LEU 23 HA LEU 23 -0.328 1.451 1.334
165 HB2 LEU 23 1HB LEU 23 -1.857 0.388 -0.143
166 HB3 LEU 23 2HB LEU 23 -1.169 1.166 -1.566
167 HG LEU 23 HG LEU 23 0.882 -0.123 -1.361
168 HD11 LEU 23 1HD1 LEU 23 0.817 -0.462 1.176
169 HD12 LEU 23 2HD1 LEU 23 1.218 -1.869 0.223
170 HD13 LEU 23 3HD1 LEU 23 -0.425 -1.689 0.898
171 HD21 LEU 23 3HD2 LEU 23 -1.605 -1.865 -1.239
172 HD22 LEU 23 1HD2 LEU 23 -0.032 -2.337 -1.918
173 HD23 LEU 23 2HD2 LEU 23 -0.967 -1.040 -2.681
174 H ARG 24 H ARG 24 0.676 3.140 -1.725
175 HA ARG 24 HA ARG 24 3.373 2.222 -1.756
176 HB2 ARG 24 1HB ARG 24 2.087 4.818 -2.696
177 HB3 ARG 24 2HB ARG 24 3.801 4.475 -2.943
178 HG2 ARG 24 1HG ARG 24 3.302 2.461 -4.238
179 HG3 ARG 24 2HG ARG 24 1.579 2.642 -3.941
180 HD2 ARG 24 1HD ARG 24 1.943 3.523 -6.130
181 HD3 ARG 24 2HD ARG 24 1.657 4.890 -5.047
182 HE ARG 24 HE ARG 24 3.757 5.694 -5.547
183 HH11 ARG 24 2HH1 ARG 24 3.860 2.281 -6.447
184 HH12 ARG 24 1HH1 ARG 24 5.520 2.434 -7.001
185 HH21 ARG 24 1HH2 ARG 24 5.824 5.750 -6.414
186 HH22 ARG 24 2HH2 ARG 24 6.512 4.268 -7.048
187 H SER 25 H SER 25 2.159 5.282 -0.420
188 HA SER 25 HA SER 25 4.544 6.102 0.857
189 HB2 SER 25 1HB SER 25 1.611 6.620 1.398
190 HB3 SER 25 2HB SER 25 2.906 7.422 2.334
191 HG SER 25 HG SER 25 2.244 8.657 0.500
192 H HIS 26 H HIS 26 2.003 3.885 2.191
193 HA HIS 26 HA HIS 26 3.191 3.573 4.780
194 HB2 HIS 26 1HB HIS 26 1.073 2.647 4.621
195 HB3 HIS 26 2HB HIS 26 1.353 1.918 3.059
196 HD1 HIS 26 1HD HIS 26 1.934 1.186 6.756
197 HD2 HIS 26 2HD HIS 26 2.582 -0.497 2.955
198 HE1 HIS 26 1HE HIS 26 2.545 -1.245 7.165
199 H ILE 27 H ILE 27 3.882 1.828 1.680
200 HA ILE 27 HA ILE 27 5.791 0.057 2.868
201 HB ILE 27 HB ILE 27 5.741 1.020 -0.011
202 HG12 ILE 27 1HG1 ILE 27 4.534 -1.572 1.065
203 HG13 ILE 27 2HG1 ILE 27 3.582 -0.128 0.813
204 HG21 ILE 27 1HG2 ILE 27 7.870 -0.085 0.729
205 HG22 ILE 27 2HG2 ILE 27 6.920 -1.522 1.181
206 HG23 ILE 27 3HG2 ILE 27 7.023 -0.993 -0.510
207 HD11 ILE 27 3HD1 ILE 27 3.310 -1.466 -1.140
208 HD12 ILE 27 1HD1 ILE 27 4.330 -0.077 -1.591
209 HD13 ILE 27 2HD1 ILE 27 5.055 -1.681 -1.331
210 H ARG 28 H ARG 28 6.228 3.314 1.412
211 HA ARG 28 HA ARG 28 9.099 3.339 1.726
212 HB2 ARG 28 1HB ARG 28 7.290 5.773 1.835
213 HB3 ARG 28 2HB ARG 28 8.998 5.710 1.412
214 HG2 ARG 28 1HG ARG 28 6.638 4.741 -0.215
215 HG3 ARG 28 2HG ARG 28 7.735 6.051 -0.597
216 HD2 ARG 28 1HD ARG 28 8.308 3.061 -0.607
217 HD3 ARG 28 2HD ARG 28 8.142 4.098 -2.008
218 HE ARG 28 HE ARG 28 10.535 3.701 -0.428
219 HH11 ARG 28 2HH1 ARG 28 9.038 6.249 -2.342
220 HH12 ARG 28 1HH1 ARG 28 10.586 6.640 -3.050
221 HH21 ARG 28 2HH2 ARG 28 12.394 4.576 -1.030
222 HH22 ARG 28 1HH2 ARG 28 12.424 6.033 -2.013
223 H GLU 29 H GLU 29 6.526 4.475 3.917
224 HA GLU 29 HA GLU 29 8.399 5.504 5.882
225 HB2 GLU 29 1HB GLU 29 5.412 4.934 5.943
226 HB3 GLU 29 2HB GLU 29 6.280 5.656 7.294
227 HG2 GLU 29 1HG GLU 29 6.191 6.877 4.502
228 HG3 GLU 29 2HG GLU 29 5.095 7.292 5.813
229 H VAL 30 H VAL 30 6.673 2.406 5.599
230 HA VAL 30 HA VAL 30 7.631 1.614 8.300
231 HB VAL 30 HB VAL 30 5.457 0.365 6.581
232 HG11 VAL 30 1HG1 VAL 30 6.289 -1.229 8.238
233 HG12 VAL 30 2HG1 VAL 30 6.156 -0.006 9.524
234 HG13 VAL 30 3HG1 VAL 30 4.702 -0.643 8.726
235 HG21 VAL 30 3HG2 VAL 30 3.895 1.492 8.193
236 HG22 VAL 30 1HG2 VAL 30 5.280 2.362 8.887
237 HG23 VAL 30 2HG2 VAL 30 4.790 2.645 7.204
238 H HIS 31 H HIS 31 7.899 0.571 4.928
239 HA HIS 31 HA HIS 31 9.600 -1.730 5.829
240 HB2 HIS 31 1HB HIS 31 8.153 -1.376 3.201
241 HB3 HIS 31 2HB HIS 31 9.051 -2.790 3.735
242 HD1 HIS 31 1HD HIS 31 7.868 -3.575 6.430
243 HD2 HIS 31 2HD HIS 31 5.644 -2.002 3.239
244 HE1 HIS 31 1HE HIS 31 5.480 -4.359 6.791
245 H GLY 32 H GLY 32 9.798 1.337 4.255
246 HA2 GLY 32 1HA GLY 32 11.622 2.495 3.511
247 HA3 GLY 32 2HA GLY 32 12.639 1.255 4.250
248 H ALA 33 H ALA 33 10.358 0.810 1.494
249 HA ALA 33 HA ALA 33 12.361 -0.443 -0.144
250 HB1 ALA 33 1HB ALA 33 10.503 -0.682 -1.717
251 HB2 ALA 33 2HB ALA 33 9.951 -1.071 -0.085
252 HB3 ALA 33 3HB ALA 33 9.543 0.507 -0.814
253 H ALA 34 H ALA 34 12.140 0.307 -2.548
254 HA ALA 34 HA ALA 34 13.292 3.054 -2.747
255 HB1 ALA 34 1HB ALA 34 15.015 1.329 -2.823
256 HB2 ALA 34 2HB ALA 34 14.170 0.504 -4.153
257 HB3 ALA 34 3HB ALA 34 14.853 2.127 -4.399
258 H GLN 35 H GLN 35 11.837 4.230 -3.632
259 HA GLN 35 HA GLN 35 10.973 3.753 -6.428
260 HB2 GLN 35 1HB GLN 35 9.121 4.784 -4.244
261 HB3 GLN 35 2HB GLN 35 8.779 4.842 -5.958
262 HG2 GLN 35 1HG GLN 35 9.205 2.239 -4.412
263 HG3 GLN 35 2HG GLN 35 7.643 3.002 -4.650
264 HE21 GLN 35 1HE2 GLN 35 10.289 1.320 -6.354
265 HE22 GLN 35 2HE2 GLN 35 9.320 0.981 -7.795
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -22.117 -10.879 -0.381
2 H2 GLY 1 2H GLY 1 -23.301 -10.128 0.466
3 H3 GLY 1 3H GLY 1 -22.284 -11.164 1.224
4 HA2 GLY 1 1HA GLY 1 -21.691 -8.892 1.753
5 HA3 GLY 1 2HA GLY 1 -20.405 -9.719 0.856
6 H SER 2 H SER 2 -21.435 -6.799 1.093
7 HA SER 2 HA SER 2 -22.406 -6.027 -1.496
8 HB2 SER 2 1HB SER 2 -21.081 -4.341 0.659
9 HB3 SER 2 2HB SER 2 -22.036 -3.739 -0.711
10 HG SER 2 HG SER 2 -23.288 -3.913 1.212
11 H SER 3 H SER 3 -21.420 -4.932 -3.195
12 HA SER 3 HA SER 3 -18.784 -5.755 -3.896
13 HB2 SER 3 1HB SER 3 -20.508 -3.617 -5.200
14 HB3 SER 3 2HB SER 3 -19.150 -4.486 -5.942
15 HG SER 3 HG SER 3 -21.182 -5.400 -6.513
16 H GLY 4 H GLY 4 -19.759 -2.940 -2.134
17 HA2 GLY 4 1HA GLY 4 -17.690 -1.111 -2.917
18 HA3 GLY 4 2HA GLY 4 -18.710 -1.007 -1.482
19 H SER 5 H SER 5 -17.310 -3.946 -1.091
20 HA SER 5 HA SER 5 -15.405 -3.004 0.873
21 HB2 SER 5 1HB SER 5 -16.082 -5.822 -0.026
22 HB3 SER 5 2HB SER 5 -15.142 -5.386 1.414
23 HG SER 5 HG SER 5 -17.369 -5.761 1.883
24 H SER 6 H SER 6 -14.790 -2.889 -2.265
25 HA SER 6 HA SER 6 -12.323 -4.362 -2.570
26 HB2 SER 6 1HB SER 6 -12.068 -2.990 -4.617
27 HB3 SER 6 2HB SER 6 -13.639 -3.800 -4.499
28 HG SER 6 HG SER 6 -13.838 -1.603 -5.147
29 H GLY 7 H GLY 7 -10.206 -3.427 -2.940
30 HA2 GLY 7 1HA GLY 7 -9.331 -0.848 -2.231
31 HA3 GLY 7 2HA GLY 7 -9.262 -1.824 -0.762
32 H TYR 8 H TYR 8 -6.948 -1.131 -1.115
33 HA TYR 8 HA TYR 8 -5.413 -3.036 -2.855
34 HB2 TYR 8 1HB TYR 8 -4.643 -0.285 -1.808
35 HB3 TYR 8 2HB TYR 8 -3.604 -1.355 -2.738
36 HD1 TYR 8 2HD TYR 8 -6.709 0.703 -2.883
37 HD2 TYR 8 1HD TYR 8 -3.795 -1.541 -5.138
38 HE1 TYR 8 2HE TYR 8 -7.636 1.626 -5.001
39 HE2 TYR 8 1HE TYR 8 -4.715 -0.608 -7.254
40 HH TYR 8 HH TYR 8 -6.285 0.764 -8.210
41 H VAL 9 H VAL 9 -3.608 -4.149 -1.916
42 HA VAL 9 HA VAL 9 -3.395 -3.987 1.048
43 HB VAL 9 HB VAL 9 -3.569 -6.598 -0.488
44 HG11 VAL 9 1HG1 VAL 9 -3.800 -7.545 1.816
45 HG12 VAL 9 2HG1 VAL 9 -2.248 -6.735 1.582
46 HG13 VAL 9 3HG1 VAL 9 -3.537 -5.922 2.491
47 HG21 VAL 9 3HG2 VAL 9 -5.816 -5.554 -0.452
48 HG22 VAL 9 1HG2 VAL 9 -5.747 -6.934 0.642
49 HG23 VAL 9 2HG2 VAL 9 -5.657 -5.290 1.302
50 H CYS 10 H CYS 10 -1.457 -4.235 1.917
51 HA CYS 10 HA CYS 10 0.930 -3.895 0.418
52 HB2 CYS 10 1HB CYS 10 0.449 -3.140 2.737
53 HB3 CYS 10 2HB CYS 10 0.484 -4.826 3.276
54 H ALA 11 H ALA 11 2.148 -5.257 -0.659
55 HA ALA 11 HA ALA 11 1.711 -8.121 -0.642
56 HB1 ALA 11 1HB ALA 11 2.338 -6.865 -2.667
57 HB2 ALA 11 2HB ALA 11 3.897 -6.427 -1.931
58 HB3 ALA 11 3HB ALA 11 3.532 -8.124 -2.304
59 H LEU 12 H LEU 12 3.376 -6.172 1.540
60 HA LEU 12 HA LEU 12 5.486 -8.184 2.158
61 HB2 LEU 12 1HB LEU 12 5.237 -5.294 3.068
62 HB3 LEU 12 2HB LEU 12 6.548 -6.407 3.383
63 HG LEU 12 HG LEU 12 6.915 -6.480 0.824
64 HD11 LEU 12 1HD1 LEU 12 6.309 -4.320 -0.336
65 HD12 LEU 12 2HD1 LEU 12 5.201 -3.952 0.998
66 HD13 LEU 12 3HD1 LEU 12 4.916 -5.348 -0.057
67 HD21 LEU 12 3HD2 LEU 12 8.261 -4.426 0.957
68 HD22 LEU 12 1HD2 LEU 12 8.329 -5.308 2.498
69 HD23 LEU 12 2HD2 LEU 12 7.273 -3.891 2.336
70 H CYS 13 H CYS 13 3.173 -6.077 3.844
71 HA CYS 13 HA CYS 13 3.099 -8.019 6.115
72 HB2 CYS 13 1HB CYS 13 2.661 -6.313 7.645
73 HB3 CYS 13 2HB CYS 13 4.091 -5.924 6.707
74 H LEU 14 H LEU 14 1.116 -7.358 3.593
75 HA LEU 14 HA LEU 14 -1.028 -7.737 3.098
76 HB2 LEU 14 1HB LEU 14 -0.724 -9.670 5.391
77 HB3 LEU 14 2HB LEU 14 -2.179 -9.585 4.433
78 HG LEU 14 HG LEU 14 -0.787 -11.397 3.723
79 HD11 LEU 14 1HD1 LEU 14 -0.853 -9.284 1.537
80 HD12 LEU 14 2HD1 LEU 14 -2.245 -10.255 2.069
81 HD13 LEU 14 3HD1 LEU 14 -0.836 -11.044 1.340
82 HD21 LEU 14 3HD2 LEU 14 1.464 -10.408 4.200
83 HD22 LEU 14 1HD2 LEU 14 1.301 -9.440 2.713
84 HD23 LEU 14 2HD2 LEU 14 1.322 -11.207 2.623
85 H LYS 15 H LYS 15 -0.535 -5.487 4.925
86 HA LYS 15 HA LYS 15 -3.081 -4.980 6.280
87 HB2 LYS 15 1HB LYS 15 -0.848 -4.077 6.963
88 HB3 LYS 15 2HB LYS 15 -0.830 -3.143 5.448
89 HG2 LYS 15 1HG LYS 15 -2.701 -1.794 6.162
90 HG3 LYS 15 2HG LYS 15 -3.061 -2.868 7.517
91 HD2 LYS 15 1HD LYS 15 -0.517 -1.199 7.291
92 HD3 LYS 15 2HD LYS 15 -1.983 -0.701 8.154
93 HE2 LYS 15 1HE LYS 15 -1.806 -2.793 9.555
94 HE3 LYS 15 2HE LYS 15 -0.253 -3.135 8.786
95 HZ1 LYS 15 3HZ LYS 15 0.572 -1.013 9.681
96 HZ2 LYS 15 1HZ LYS 15 0.037 -1.966 10.892
97 HZ3 LYS 15 2HZ LYS 15 -0.870 -0.708 10.390
98 H LYS 16 H LYS 16 -4.788 -3.762 5.561
99 HA LYS 16 HA LYS 16 -4.969 -3.300 2.642
100 HB2 LYS 16 1HB LYS 16 -6.528 -4.827 3.812
101 HB3 LYS 16 2HB LYS 16 -7.179 -3.455 4.717
102 HG2 LYS 16 1HG LYS 16 -8.021 -2.431 2.665
103 HG3 LYS 16 2HG LYS 16 -7.178 -3.630 1.666
104 HD2 LYS 16 1HD LYS 16 -8.547 -5.430 2.749
105 HD3 LYS 16 2HD LYS 16 -9.444 -4.165 3.623
106 HE2 LYS 16 1HE LYS 16 -10.092 -3.168 1.421
107 HE3 LYS 16 2HE LYS 16 -9.232 -4.483 0.595
108 HZ1 LYS 16 3HZ LYS 16 -11.670 -4.890 0.847
109 HZ2 LYS 16 1HZ LYS 16 -11.510 -4.896 2.465
110 HZ3 LYS 16 2HZ LYS 16 -10.779 -6.058 1.576
111 H PHE 17 H PHE 17 -5.805 -1.530 1.690
112 HA PHE 17 HA PHE 17 -5.876 1.068 3.147
113 HB2 PHE 17 1HB PHE 17 -4.139 0.340 0.753
114 HB3 PHE 17 2HB PHE 17 -4.380 1.979 1.340
115 HD1 PHE 17 2HD PHE 17 -3.576 2.664 3.607
116 HD2 PHE 17 1HD PHE 17 -2.624 -1.193 1.922
117 HE1 PHE 17 2HE PHE 17 -1.797 2.356 5.310
118 HE2 PHE 17 1HE PHE 17 -0.850 -1.492 3.623
119 HZ PHE 17 HZ PHE 17 -0.462 0.263 5.338
120 H VAL 18 H VAL 18 -6.884 2.756 2.109
121 HA VAL 18 HA VAL 18 -9.203 2.099 0.558
122 HB VAL 18 HB VAL 18 -9.119 3.800 2.316
123 HG11 VAL 18 1HG1 VAL 18 -6.898 4.829 1.845
124 HG12 VAL 18 2HG1 VAL 18 -7.573 5.574 0.376
125 HG13 VAL 18 3HG1 VAL 18 -8.194 6.019 1.973
126 HG21 VAL 18 3HG2 VAL 18 -10.899 3.899 0.596
127 HG22 VAL 18 1HG2 VAL 18 -10.502 5.482 1.289
128 HG23 VAL 18 2HG2 VAL 18 -9.918 5.062 -0.330
129 H SER 19 H SER 19 -6.070 3.384 -0.391
130 HA SER 19 HA SER 19 -6.731 3.137 -3.252
131 HB2 SER 19 1HB SER 19 -7.407 5.438 -2.780
132 HB3 SER 19 2HB SER 19 -5.846 5.768 -2.011
133 HG SER 19 HG SER 19 -6.053 6.439 -4.267
134 H SER 20 H SER 20 -4.800 3.085 -4.582
135 HA SER 20 HA SER 20 -2.630 1.708 -3.378
136 HB2 SER 20 1HB SER 20 -1.563 1.685 -5.456
137 HB3 SER 20 2HB SER 20 -3.288 1.611 -5.819
138 HG SER 20 HG SER 20 -3.237 3.759 -6.449
139 H ILE 21 H ILE 21 -3.060 5.184 -3.917
140 HA ILE 21 HA ILE 21 -0.395 6.076 -3.472
141 HB ILE 21 HB ILE 21 -3.053 7.354 -2.721
142 HG12 ILE 21 1HG1 ILE 21 -2.971 6.977 -5.105
143 HG13 ILE 21 2HG1 ILE 21 -2.802 8.686 -4.762
144 HG21 ILE 21 1HG2 ILE 21 -1.746 9.517 -2.778
145 HG22 ILE 21 2HG2 ILE 21 -1.387 8.460 -1.410
146 HG23 ILE 21 3HG2 ILE 21 -0.257 8.538 -2.777
147 HD11 ILE 21 3HD1 ILE 21 -0.562 6.792 -5.600
148 HD12 ILE 21 1HD1 ILE 21 -1.313 8.063 -6.570
149 HD13 ILE 21 2HD1 ILE 21 -0.328 8.505 -5.166
150 H ARG 22 H ARG 22 -2.922 5.239 -1.103
151 HA ARG 22 HA ARG 22 -1.356 6.095 1.222
152 HB2 ARG 22 1HB ARG 22 -3.921 4.479 0.879
153 HB3 ARG 22 2HB ARG 22 -3.144 4.698 2.437
154 HG2 ARG 22 1HG ARG 22 -4.858 6.325 2.288
155 HG3 ARG 22 2HG ARG 22 -3.305 7.170 2.196
156 HD2 ARG 22 1HD ARG 22 -3.591 7.484 -0.227
157 HD3 ARG 22 2HD ARG 22 -5.047 6.484 -0.192
158 HE ARG 22 HE ARG 22 -6.278 8.246 0.668
159 HH11 ARG 22 2HH1 ARG 22 -2.908 9.219 0.837
160 HH12 ARG 22 1HH1 ARG 22 -3.321 10.875 1.183
161 HH21 ARG 22 2HH2 ARG 22 -6.716 10.366 1.123
162 HH22 ARG 22 1HH2 ARG 22 -5.415 11.496 1.347
163 H LEU 23 H LEU 23 -1.789 3.049 -0.518
164 HA LEU 23 HA LEU 23 -0.208 1.457 1.291
165 HB2 LEU 23 1HB LEU 23 -1.792 0.381 -0.128
166 HB3 LEU 23 2HB LEU 23 -1.149 1.152 -1.575
167 HG LEU 23 HG LEU 23 0.908 -0.125 -1.428
168 HD11 LEU 23 1HD1 LEU 23 -0.326 -1.670 0.887
169 HD12 LEU 23 2HD1 LEU 23 0.936 -0.451 1.104
170 HD13 LEU 23 3HD1 LEU 23 1.289 -1.874 0.153
171 HD21 LEU 23 3HD2 LEU 23 -0.976 -1.053 -2.688
172 HD22 LEU 23 1HD2 LEU 23 -1.581 -1.861 -1.224
173 HD23 LEU 23 2HD2 LEU 23 -0.029 -2.349 -1.938
174 H ARG 24 H ARG 24 0.619 3.233 -1.758
175 HA ARG 24 HA ARG 24 3.300 2.334 -2.043
176 HB2 ARG 24 1HB ARG 24 1.970 4.991 -2.707
177 HB3 ARG 24 2HB ARG 24 3.630 4.628 -3.174
178 HG2 ARG 24 1HG ARG 24 2.997 2.874 -4.658
179 HG3 ARG 24 2HG ARG 24 1.381 2.760 -3.989
180 HD2 ARG 24 1HD ARG 24 1.174 5.285 -4.777
181 HD3 ARG 24 2HD ARG 24 2.513 4.878 -5.836
182 HE ARG 24 HE ARG 24 -0.294 3.951 -5.964
183 HH11 ARG 24 2HH1 ARG 24 2.902 3.333 -7.288
184 HH12 ARG 24 1HH1 ARG 24 2.240 2.510 -8.673
185 HH21 ARG 24 2HH2 ARG 24 -1.038 2.936 -7.667
186 HH22 ARG 24 1HH2 ARG 24 0.032 2.288 -8.896
187 H SER 25 H SER 25 2.172 5.285 -0.383
188 HA SER 25 HA SER 25 4.732 5.953 0.707
189 HB2 SER 25 1HB SER 25 1.891 6.755 1.413
190 HB3 SER 25 2HB SER 25 3.332 7.482 2.177
191 HG SER 25 HG SER 25 2.602 8.682 0.347
192 H HIS 26 H HIS 26 2.101 3.911 2.092
193 HA HIS 26 HA HIS 26 3.193 3.592 4.708
194 HB2 HIS 26 1HB HIS 26 1.091 2.639 4.440
195 HB3 HIS 26 2HB HIS 26 1.472 1.901 2.902
196 HD1 HIS 26 1HD HIS 26 1.905 1.215 6.637
197 HD2 HIS 26 2HD HIS 26 2.641 -0.523 2.880
198 HE1 HIS 26 1HE HIS 26 2.440 -1.222 7.093
199 H ILE 27 H ILE 27 3.966 1.795 1.668
200 HA ILE 27 HA ILE 27 5.826 0.029 2.901
201 HB ILE 27 HB ILE 27 5.843 1.011 0.026
202 HG12 ILE 27 1HG1 ILE 27 4.624 -1.586 1.074
203 HG13 ILE 27 2HG1 ILE 27 3.676 -0.137 0.815
204 HG21 ILE 27 1HG2 ILE 27 7.974 -0.094 0.785
205 HG22 ILE 27 2HG2 ILE 27 7.023 -1.541 1.205
206 HG23 ILE 27 3HG2 ILE 27 7.144 -0.989 -0.476
207 HD11 ILE 27 3HD1 ILE 27 3.428 -1.505 -1.130
208 HD12 ILE 27 1HD1 ILE 27 4.408 -0.089 -1.579
209 HD13 ILE 27 2HD1 ILE 27 5.178 -1.674 -1.324
210 H ARG 28 H ARG 28 6.343 3.267 1.459
211 HA ARG 28 HA ARG 28 9.210 3.211 1.845
212 HB2 ARG 28 1HB ARG 28 7.512 5.714 1.862
213 HB3 ARG 28 2HB ARG 28 9.204 5.531 1.409
214 HG2 ARG 28 1HG ARG 28 6.740 4.732 -0.156
215 HG3 ARG 28 2HG ARG 28 7.980 5.903 -0.599
216 HD2 ARG 28 1HD ARG 28 9.602 3.957 -0.716
217 HD3 ARG 28 2HD ARG 28 8.198 2.873 -0.505
218 HE ARG 28 HE ARG 28 7.662 4.649 -2.670
219 HH11 ARG 28 2HH1 ARG 28 9.910 2.069 -1.992
220 HH12 ARG 28 1HH1 ARG 28 9.782 1.395 -3.614
221 HH21 ARG 28 2HH2 ARG 28 7.855 3.932 -4.829
222 HH22 ARG 28 1HH2 ARG 28 8.962 2.617 -5.169
223 H GLU 29 H GLU 29 6.554 4.385 3.902
224 HA GLU 29 HA GLU 29 8.250 5.602 5.879
225 HB2 GLU 29 1HB GLU 29 5.338 4.743 5.852
226 HB3 GLU 29 2HB GLU 29 6.078 5.477 7.270
227 HG2 GLU 29 1HG GLU 29 6.064 6.818 4.534
228 HG3 GLU 29 2HG GLU 29 4.819 7.057 5.753
229 H VAL 30 H VAL 30 6.769 2.315 5.778
230 HA VAL 30 HA VAL 30 8.193 1.756 8.354
231 HB VAL 30 HB VAL 30 6.635 0.253 8.959
232 HG11 VAL 30 1HG1 VAL 30 5.002 2.470 7.665
233 HG12 VAL 30 2HG1 VAL 30 4.553 1.514 9.091
234 HG13 VAL 30 3HG1 VAL 30 5.926 2.636 9.178
235 HG21 VAL 30 3HG2 VAL 30 6.144 -1.023 6.965
236 HG22 VAL 30 1HG2 VAL 30 4.659 -0.478 7.729
237 HG23 VAL 30 2HG2 VAL 30 5.248 0.342 6.268
238 H HIS 31 H HIS 31 7.936 0.507 5.071
239 HA HIS 31 HA HIS 31 9.631 -1.835 5.876
240 HB2 HIS 31 1HB HIS 31 8.202 -1.363 3.253
241 HB3 HIS 31 2HB HIS 31 9.077 -2.802 3.740
242 HD1 HIS 31 1HD HIS 31 7.873 -3.660 6.406
243 HD2 HIS 31 2HD HIS 31 5.688 -1.990 3.239
244 HE1 HIS 31 1HE HIS 31 5.474 -4.410 6.742
245 H GLY 32 H GLY 32 9.839 1.266 4.470
246 HA2 GLY 32 1HA GLY 32 11.614 2.491 3.723
247 HA3 GLY 32 2HA GLY 32 12.661 1.281 4.474
248 H ALA 33 H ALA 33 10.547 0.399 1.783
249 HA ALA 33 HA ALA 33 12.681 -0.590 0.177
250 HB1 ALA 33 1HB ALA 33 10.902 -1.009 -1.462
251 HB2 ALA 33 2HB ALA 33 10.362 -1.481 0.162
252 HB3 ALA 33 3HB ALA 33 9.794 0.044 -0.561
253 H ALA 34 H ALA 34 14.046 0.540 -0.933
254 HA ALA 34 HA ALA 34 13.666 3.352 -1.535
255 HB1 ALA 34 1HB ALA 34 16.067 3.311 -2.040
256 HB2 ALA 34 2HB ALA 34 15.735 2.447 -0.528
257 HB3 ALA 34 3HB ALA 34 16.060 1.534 -2.022
258 H GLN 35 H GLN 35 12.607 0.907 -3.316
259 HA GLN 35 HA GLN 35 12.768 2.375 -5.907
260 HB2 GLN 35 1HB GLN 35 13.231 -0.616 -5.545
261 HB3 GLN 35 2HB GLN 35 12.949 0.191 -7.092
262 HG2 GLN 35 1HG GLN 35 14.987 1.591 -6.720
263 HG3 GLN 35 2HG GLN 35 15.306 0.710 -5.224
264 HE21 GLN 35 1HE2 GLN 35 17.396 0.596 -6.821
265 HE22 GLN 35 2HE2 GLN 35 17.471 -0.924 -7.703
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -21.512 4.911 7.624
2 H2 GLY 1 2H GLY 1 -19.944 5.084 7.175
3 H3 GLY 1 3H GLY 1 -20.802 3.793 6.653
4 HA2 GLY 1 1HA GLY 1 -22.275 5.225 5.375
5 HA3 GLY 1 2HA GLY 1 -21.300 6.607 5.915
6 H SER 2 H SER 2 -21.831 5.061 3.224
7 HA SER 2 HA SER 2 -20.747 4.273 1.395
8 HB2 SER 2 1HB SER 2 -18.590 6.246 2.203
9 HB3 SER 2 2HB SER 2 -18.819 5.532 0.596
10 HG SER 2 HG SER 2 -19.791 7.613 0.778
11 H SER 3 H SER 3 -20.506 2.580 3.522
12 HA SER 3 HA SER 3 -17.826 1.761 4.102
13 HB2 SER 3 1HB SER 3 -20.414 0.318 4.747
14 HB3 SER 3 2HB SER 3 -18.851 0.161 5.569
15 HG SER 3 HG SER 3 -20.204 1.516 6.743
16 H GLY 4 H GLY 4 -17.896 1.528 1.388
17 HA2 GLY 4 1HA GLY 4 -18.601 -1.058 0.343
18 HA3 GLY 4 2HA GLY 4 -17.542 0.121 -0.421
19 H SER 5 H SER 5 -17.294 -2.770 -0.342
20 HA SER 5 HA SER 5 -15.194 -3.507 1.519
21 HB2 SER 5 1HB SER 5 -16.321 -5.039 -0.848
22 HB3 SER 5 2HB SER 5 -15.349 -5.704 0.476
23 HG SER 5 HG SER 5 -17.603 -6.029 0.800
24 H SER 6 H SER 6 -14.930 -1.852 -1.414
25 HA SER 6 HA SER 6 -12.657 -3.186 -2.581
26 HB2 SER 6 1HB SER 6 -12.532 -1.135 -4.000
27 HB3 SER 6 2HB SER 6 -14.106 -1.944 -3.998
28 HG SER 6 HG SER 6 -14.292 0.341 -3.768
29 H GLY 7 H GLY 7 -10.520 -2.417 -2.830
30 HA2 GLY 7 1HA GLY 7 -9.223 -0.267 -1.670
31 HA3 GLY 7 2HA GLY 7 -9.273 -1.473 -0.384
32 H TYR 8 H TYR 8 -6.907 -0.977 -0.808
33 HA TYR 8 HA TYR 8 -5.685 -2.954 -2.710
34 HB2 TYR 8 1HB TYR 8 -4.597 -0.238 -1.867
35 HB3 TYR 8 2HB TYR 8 -3.821 -1.387 -2.947
36 HD1 TYR 8 2HD TYR 8 -6.753 0.890 -2.588
37 HD2 TYR 8 1HD TYR 8 -4.374 -1.496 -5.283
38 HE1 TYR 8 2HE TYR 8 -7.917 1.919 -4.527
39 HE2 TYR 8 1HE TYR 8 -5.519 -0.445 -7.222
40 HH TYR 8 HH TYR 8 -7.117 1.050 -7.916
41 H VAL 9 H VAL 9 -3.693 -3.997 -1.919
42 HA VAL 9 HA VAL 9 -3.390 -3.871 1.046
43 HB VAL 9 HB VAL 9 -3.532 -6.458 -0.531
44 HG11 VAL 9 1HG1 VAL 9 -3.785 -7.445 1.732
45 HG12 VAL 9 2HG1 VAL 9 -2.267 -6.552 1.601
46 HG13 VAL 9 3HG1 VAL 9 -3.638 -5.828 2.455
47 HG21 VAL 9 3HG2 VAL 9 -5.730 -6.825 0.562
48 HG22 VAL 9 1HG2 VAL 9 -5.677 -5.172 1.208
49 HG23 VAL 9 2HG2 VAL 9 -5.793 -5.457 -0.547
50 H CYS 10 H CYS 10 -1.455 -4.179 1.902
51 HA CYS 10 HA CYS 10 0.968 -3.801 0.476
52 HB2 CYS 10 1HB CYS 10 0.486 -3.235 2.825
53 HB3 CYS 10 2HB CYS 10 0.454 -4.960 3.221
54 H ALA 11 H ALA 11 2.443 -5.105 -0.393
55 HA ALA 11 HA ALA 11 1.838 -7.966 -0.751
56 HB1 ALA 11 1HB ALA 11 2.542 -6.580 -2.663
57 HB2 ALA 11 2HB ALA 11 4.090 -6.236 -1.857
58 HB3 ALA 11 3HB ALA 11 3.691 -7.894 -2.354
59 H LEU 12 H LEU 12 3.404 -6.203 1.632
60 HA LEU 12 HA LEU 12 5.499 -8.272 2.158
61 HB2 LEU 12 1HB LEU 12 5.354 -5.411 3.166
62 HB3 LEU 12 2HB LEU 12 6.645 -6.570 3.383
63 HG LEU 12 HG LEU 12 6.882 -6.516 0.774
64 HD11 LEU 12 1HD1 LEU 12 4.879 -5.172 0.156
65 HD12 LEU 12 2HD1 LEU 12 6.343 -4.264 -0.197
66 HD13 LEU 12 3HD1 LEU 12 5.393 -3.878 1.248
67 HD21 LEU 12 3HD2 LEU 12 8.474 -5.593 2.412
68 HD22 LEU 12 1HD2 LEU 12 7.483 -4.126 2.526
69 HD23 LEU 12 2HD2 LEU 12 8.331 -4.512 1.009
70 H CYS 13 H CYS 13 3.277 -6.129 3.925
71 HA CYS 13 HA CYS 13 3.133 -8.120 6.146
72 HB2 CYS 13 1HB CYS 13 2.650 -6.422 7.687
73 HB3 CYS 13 2HB CYS 13 4.119 -6.038 6.812
74 H LEU 14 H LEU 14 1.257 -7.248 3.586
75 HA LEU 14 HA LEU 14 -0.875 -7.555 2.970
76 HB2 LEU 14 1HB LEU 14 -0.544 -9.747 5.000
77 HB3 LEU 14 2HB LEU 14 -2.041 -9.544 4.107
78 HG LEU 14 HG LEU 14 -0.894 -9.767 1.960
79 HD11 LEU 14 1HD1 LEU 14 1.385 -9.041 2.366
80 HD12 LEU 14 2HD1 LEU 14 1.424 -10.731 1.896
81 HD13 LEU 14 3HD1 LEU 14 1.615 -10.297 3.610
82 HD21 LEU 14 3HD2 LEU 14 -0.288 -12.023 3.915
83 HD22 LEU 14 1HD2 LEU 14 -0.441 -12.170 2.150
84 HD23 LEU 14 2HD2 LEU 14 -1.851 -11.725 3.120
85 H LYS 15 H LYS 15 -0.492 -5.473 4.962
86 HA LYS 15 HA LYS 15 -3.079 -5.078 6.266
87 HB2 LYS 15 1HB LYS 15 -0.886 -4.112 7.017
88 HB3 LYS 15 2HB LYS 15 -0.873 -3.146 5.520
89 HG2 LYS 15 1HG LYS 15 -2.804 -1.875 6.237
90 HG3 LYS 15 2HG LYS 15 -3.134 -3.003 7.567
91 HD2 LYS 15 1HD LYS 15 -1.089 -2.309 8.722
92 HD3 LYS 15 2HD LYS 15 -0.659 -1.229 7.378
93 HE2 LYS 15 1HE LYS 15 -2.725 0.080 7.744
94 HE3 LYS 15 2HE LYS 15 -3.219 -1.025 9.031
95 HZ1 LYS 15 3HZ LYS 15 -0.797 0.697 9.117
96 HZ2 LYS 15 1HZ LYS 15 -1.257 -0.334 10.300
97 HZ3 LYS 15 2HZ LYS 15 -2.177 0.963 9.943
98 H LYS 16 H LYS 16 -4.807 -3.875 5.556
99 HA LYS 16 HA LYS 16 -4.955 -3.271 2.662
100 HB2 LYS 16 1HB LYS 16 -6.542 -4.836 3.736
101 HB3 LYS 16 2HB LYS 16 -7.182 -3.509 4.713
102 HG2 LYS 16 1HG LYS 16 -8.019 -2.367 2.728
103 HG3 LYS 16 2HG LYS 16 -7.168 -3.499 1.659
104 HD2 LYS 16 1HD LYS 16 -8.549 -5.368 2.594
105 HD3 LYS 16 2HD LYS 16 -9.447 -4.173 3.561
106 HE2 LYS 16 1HE LYS 16 -10.100 -3.008 1.451
107 HE3 LYS 16 2HE LYS 16 -9.222 -4.234 0.517
108 HZ1 LYS 16 3HZ LYS 16 -11.651 -4.692 0.709
109 HZ2 LYS 16 1HZ LYS 16 -11.507 -4.836 2.324
110 HZ3 LYS 16 2HZ LYS 16 -10.754 -5.907 1.345
111 H PHE 17 H PHE 17 -5.785 -1.449 1.794
112 HA PHE 17 HA PHE 17 -5.779 1.088 3.358
113 HB2 PHE 17 1HB PHE 17 -4.118 0.384 0.897
114 HB3 PHE 17 2HB PHE 17 -4.317 2.013 1.518
115 HD1 PHE 17 2HD PHE 17 -3.519 2.611 3.830
116 HD2 PHE 17 1HD PHE 17 -2.555 -1.158 1.954
117 HE1 PHE 17 2HE PHE 17 -1.760 2.208 5.537
118 HE2 PHE 17 1HE PHE 17 -0.796 -1.545 3.655
119 HZ PHE 17 HZ PHE 17 -0.436 0.109 5.469
120 H VAL 18 H VAL 18 -6.738 2.865 2.369
121 HA VAL 18 HA VAL 18 -9.095 2.315 0.819
122 HB VAL 18 HB VAL 18 -8.993 3.970 2.605
123 HG11 VAL 18 1HG1 VAL 18 -6.754 4.932 2.251
124 HG12 VAL 18 2HG1 VAL 18 -7.300 5.701 0.743
125 HG13 VAL 18 3HG1 VAL 18 -7.994 6.184 2.298
126 HG21 VAL 18 3HG2 VAL 18 -10.733 4.159 0.848
127 HG22 VAL 18 1HG2 VAL 18 -10.318 5.708 1.601
128 HG23 VAL 18 2HG2 VAL 18 -9.708 5.326 -0.018
129 H SER 19 H SER 19 -5.903 3.501 -0.133
130 HA SER 19 HA SER 19 -6.743 3.395 -2.969
131 HB2 SER 19 1HB SER 19 -6.067 5.511 -3.562
132 HB3 SER 19 2HB SER 19 -6.856 5.812 -2.008
133 HG SER 19 HG SER 19 -4.909 6.877 -2.045
134 H SER 20 H SER 20 -4.947 3.325 -4.493
135 HA SER 20 HA SER 20 -2.755 1.688 -3.605
136 HB2 SER 20 1HB SER 20 -1.985 1.790 -5.882
137 HB3 SER 20 2HB SER 20 -3.731 1.533 -5.840
138 HG SER 20 HG SER 20 -3.596 3.134 -7.264
139 H ILE 21 H ILE 21 -3.219 5.147 -3.648
140 HA ILE 21 HA ILE 21 -0.376 5.870 -3.638
141 HB ILE 21 HB ILE 21 -2.941 7.399 -3.101
142 HG12 ILE 21 1HG1 ILE 21 -2.087 8.832 -4.956
143 HG13 ILE 21 2HG1 ILE 21 -0.719 7.742 -5.169
144 HG21 ILE 21 1HG2 ILE 21 -0.094 8.401 -2.703
145 HG22 ILE 21 2HG2 ILE 21 -1.531 9.443 -2.817
146 HG23 ILE 21 3HG2 ILE 21 -1.387 8.314 -1.479
147 HD11 ILE 21 3HD1 ILE 21 -2.589 7.467 -6.825
148 HD12 ILE 21 1HD1 ILE 21 -2.196 5.979 -5.963
149 HD13 ILE 21 2HD1 ILE 21 -3.639 6.919 -5.503
150 H ARG 22 H ARG 22 -2.933 5.438 -1.124
151 HA ARG 22 HA ARG 22 -1.168 5.960 1.108
152 HB2 ARG 22 1HB ARG 22 -3.599 4.129 1.081
153 HB3 ARG 22 2HB ARG 22 -2.818 4.825 2.495
154 HG2 ARG 22 1HG ARG 22 -4.572 6.169 0.448
155 HG3 ARG 22 2HG ARG 22 -4.782 6.061 2.183
156 HD2 ARG 22 1HD ARG 22 -2.742 7.753 0.716
157 HD3 ARG 22 2HD ARG 22 -4.226 8.333 1.438
158 HE ARG 22 HE ARG 22 -1.725 7.668 2.821
159 HH11 ARG 22 2HH1 ARG 22 -5.149 8.218 3.353
160 HH12 ARG 22 1HH1 ARG 22 -4.917 8.549 5.047
161 HH21 ARG 22 2HH2 ARG 22 -1.513 8.090 4.986
162 HH22 ARG 22 1HH2 ARG 22 -2.915 8.481 5.937
163 H LEU 23 H LEU 23 -1.822 3.009 -0.728
164 HA LEU 23 HA LEU 23 -0.254 1.226 0.884
165 HB2 LEU 23 1HB LEU 23 -1.900 0.332 -0.569
166 HB3 LEU 23 2HB LEU 23 -1.295 1.234 -1.958
167 HG LEU 23 HG LEU 23 0.691 -0.132 -2.100
168 HD11 LEU 23 1HD1 LEU 23 1.008 -2.129 -0.753
169 HD12 LEU 23 2HD1 LEU 23 -0.423 -1.735 0.242
170 HD13 LEU 23 3HD1 LEU 23 1.031 -0.727 0.305
171 HD21 LEU 23 3HD2 LEU 23 -1.798 -1.853 -1.802
172 HD22 LEU 23 1HD2 LEU 23 -0.355 -2.251 -2.749
173 HD23 LEU 23 2HD2 LEU 23 -1.374 -0.885 -3.238
174 H ARG 24 H ARG 24 0.604 3.074 -2.147
175 HA ARG 24 HA ARG 24 3.293 2.198 -2.304
176 HB2 ARG 24 1HB ARG 24 1.953 4.838 -3.028
177 HB3 ARG 24 2HB ARG 24 3.677 4.612 -3.273
178 HG2 ARG 24 1HG ARG 24 3.311 2.732 -4.799
179 HG3 ARG 24 2HG ARG 24 1.565 2.829 -4.549
180 HD2 ARG 24 1HD ARG 24 1.714 5.274 -5.339
181 HD3 ARG 24 2HD ARG 24 3.389 4.950 -5.768
182 HE ARG 24 HE ARG 24 2.697 3.767 -7.646
183 HH11 ARG 24 2HH1 ARG 24 -0.086 4.092 -5.584
184 HH12 ARG 24 1HH1 ARG 24 -1.234 3.853 -6.872
185 HH21 ARG 24 2HH2 ARG 24 1.208 3.319 -9.262
186 HH22 ARG 24 1HH2 ARG 24 -0.493 3.346 -8.900
187 H SER 25 H SER 25 2.058 5.046 -0.566
188 HA SER 25 HA SER 25 4.624 5.810 0.476
189 HB2 SER 25 1HB SER 25 1.772 6.559 1.175
190 HB3 SER 25 2HB SER 25 3.196 7.320 1.936
191 HG SER 25 HG SER 25 2.453 8.488 0.091
192 H HIS 26 H HIS 26 2.042 3.757 1.901
193 HA HIS 26 HA HIS 26 3.020 3.501 4.541
194 HB2 HIS 26 1HB HIS 26 0.986 2.426 4.104
195 HB3 HIS 26 2HB HIS 26 1.560 1.673 2.630
196 HD1 HIS 26 1HD HIS 26 1.904 1.170 6.436
197 HD2 HIS 26 2HD HIS 26 2.635 -0.737 2.759
198 HE1 HIS 26 1HE HIS 26 2.424 -1.247 7.001
199 H ILE 27 H ILE 27 4.060 1.716 1.604
200 HA ILE 27 HA ILE 27 5.876 -0.011 2.930
201 HB ILE 27 HB ILE 27 6.058 1.013 0.078
202 HG12 ILE 27 1HG1 ILE 27 4.707 -1.566 0.998
203 HG13 ILE 27 2HG1 ILE 27 3.817 -0.086 0.710
204 HG21 ILE 27 1HG2 ILE 27 7.349 -0.949 -0.409
205 HG22 ILE 27 2HG2 ILE 27 8.105 -0.196 0.991
206 HG23 ILE 27 3HG2 ILE 27 7.067 -1.621 1.211
207 HD11 ILE 27 3HD1 ILE 27 4.706 -0.011 -1.629
208 HD12 ILE 27 1HD1 ILE 27 5.407 -1.626 -1.358
209 HD13 ILE 27 2HD1 ILE 27 3.651 -1.399 -1.272
210 H ARG 28 H ARG 28 6.346 3.299 1.721
211 HA ARG 28 HA ARG 28 9.239 3.254 2.153
212 HB2 ARG 28 1HB ARG 28 7.637 5.783 2.022
213 HB3 ARG 28 2HB ARG 28 9.266 5.453 1.437
214 HG2 ARG 28 1HG ARG 28 6.618 4.622 0.233
215 HG3 ARG 28 2HG ARG 28 7.750 5.775 -0.448
216 HD2 ARG 28 1HD ARG 28 9.236 4.089 -1.157
217 HD3 ARG 28 2HD ARG 28 8.522 2.856 -0.094
218 HE ARG 28 HE ARG 28 6.394 3.377 -1.578
219 HH11 ARG 28 1HH1 ARG 28 9.664 2.591 -2.639
220 HH12 ARG 28 2HH1 ARG 28 9.090 1.941 -4.153
221 HH21 ARG 28 2HH2 ARG 28 5.771 2.532 -3.518
222 HH22 ARG 28 1HH2 ARG 28 6.953 1.883 -4.618
223 H GLU 29 H GLU 29 6.447 4.311 4.031
224 HA GLU 29 HA GLU 29 7.940 5.612 6.124
225 HB2 GLU 29 1HB GLU 29 5.106 4.528 5.944
226 HB3 GLU 29 2HB GLU 29 5.721 5.335 7.381
227 HG2 GLU 29 1HG GLU 29 5.688 6.630 4.621
228 HG3 GLU 29 2HG GLU 29 4.403 6.796 5.809
229 H VAL 30 H VAL 30 6.713 2.230 5.858
230 HA VAL 30 HA VAL 30 8.120 1.668 8.446
231 HB VAL 30 HB VAL 30 6.566 0.100 9.008
232 HG11 VAL 30 1HG1 VAL 30 4.940 2.371 7.815
233 HG12 VAL 30 2HG1 VAL 30 4.500 1.364 9.210
234 HG13 VAL 30 3HG1 VAL 30 5.876 2.479 9.325
235 HG21 VAL 30 3HG2 VAL 30 5.174 0.342 6.325
236 HG22 VAL 30 1HG2 VAL 30 6.072 -1.064 6.933
237 HG23 VAL 30 2HG2 VAL 30 4.591 -0.565 7.737
238 H HIS 31 H HIS 31 7.902 0.496 5.143
239 HA HIS 31 HA HIS 31 9.650 -1.828 5.894
240 HB2 HIS 31 1HB HIS 31 8.209 -1.372 3.278
241 HB3 HIS 31 2HB HIS 31 9.105 -2.795 3.769
242 HD1 HIS 31 1HD HIS 31 7.886 -3.683 6.420
243 HD2 HIS 31 2HD HIS 31 5.714 -2.049 3.225
244 HE1 HIS 31 1HE HIS 31 5.503 -4.498 6.709
245 H GLY 32 H GLY 32 9.817 1.300 4.639
246 HA2 GLY 32 1HA GLY 32 11.591 2.587 4.077
247 HA3 GLY 32 2HA GLY 32 12.655 1.266 4.587
248 H ALA 33 H ALA 33 10.397 0.943 1.866
249 HA ALA 33 HA ALA 33 12.571 0.344 0.036
250 HB1 ALA 33 1HB ALA 33 9.616 0.606 -0.519
251 HB2 ALA 33 2HB ALA 33 10.836 -0.212 -1.518
252 HB3 ALA 33 3HB ALA 33 10.425 -0.873 0.082
253 H ALA 34 H ALA 34 13.197 2.710 0.715
254 HA ALA 34 HA ALA 34 12.559 4.594 -1.529
255 HB1 ALA 34 1HB ALA 34 12.995 5.279 1.407
256 HB2 ALA 34 2HB ALA 34 12.629 6.428 0.100
257 HB3 ALA 34 3HB ALA 34 11.425 5.219 0.575
258 H GLN 35 H GLN 35 14.946 2.682 -0.742
259 HA GLN 35 HA GLN 35 17.129 4.511 -1.600
260 HB2 GLN 35 1HB GLN 35 17.245 2.575 0.752
261 HB3 GLN 35 2HB GLN 35 18.658 3.322 0.017
262 HG2 GLN 35 1HG GLN 35 16.403 4.895 1.345
263 HG3 GLN 35 2HG GLN 35 17.887 4.396 2.140
264 HE21 GLN 35 1HE2 GLN 35 16.615 6.521 -0.462
265 HE22 GLN 35 2HE2 GLN 35 18.035 7.574 -0.468
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -27.456 -4.569 7.219
2 H2 GLY 1 2H GLY 1 -28.098 -4.812 5.731
3 H3 GLY 1 3H GLY 1 -27.047 -3.579 5.982
4 HA2 GLY 1 1HA GLY 1 -26.386 -6.445 6.164
5 HA3 GLY 1 2HA GLY 1 -25.955 -5.382 4.812
6 H SER 2 H SER 2 -24.091 -6.874 6.368
7 HA SER 2 HA SER 2 -22.810 -5.321 8.402
8 HB2 SER 2 1HB SER 2 -21.625 -7.484 6.623
9 HB3 SER 2 2HB SER 2 -20.971 -6.919 8.169
10 HG SER 2 HG SER 2 -22.830 -7.717 9.205
11 H SER 3 H SER 3 -20.923 -4.102 8.408
12 HA SER 3 HA SER 3 -20.481 -2.385 6.162
13 HB2 SER 3 1HB SER 3 -18.823 -2.717 8.687
14 HB3 SER 3 2HB SER 3 -18.757 -1.350 7.559
15 HG SER 3 HG SER 3 -20.106 -0.918 9.373
16 H GLY 4 H GLY 4 -18.676 -2.041 4.875
17 HA2 GLY 4 1HA GLY 4 -16.193 -3.398 4.987
18 HA3 GLY 4 2HA GLY 4 -17.219 -4.248 3.826
19 H SER 5 H SER 5 -14.775 -2.841 3.239
20 HA SER 5 HA SER 5 -15.707 -0.718 1.354
21 HB2 SER 5 1HB SER 5 -13.394 -0.443 3.312
22 HB3 SER 5 2HB SER 5 -13.809 0.707 2.028
23 HG SER 5 HG SER 5 -14.661 1.327 4.073
24 H SER 6 H SER 6 -14.564 -0.483 -0.499
25 HA SER 6 HA SER 6 -12.731 -2.523 -1.420
26 HB2 SER 6 1HB SER 6 -13.408 0.196 -2.607
27 HB3 SER 6 2HB SER 6 -12.562 -1.126 -3.433
28 HG SER 6 HG SER 6 -14.813 -1.095 -3.916
29 H GLY 7 H GLY 7 -10.520 -2.188 -2.144
30 HA2 GLY 7 1HA GLY 7 -8.903 0.053 -1.646
31 HA3 GLY 7 2HA GLY 7 -8.862 -0.912 -0.172
32 H TYR 8 H TYR 8 -6.575 -0.840 -0.788
33 HA TYR 8 HA TYR 8 -5.724 -3.060 -2.618
34 HB2 TYR 8 1HB TYR 8 -4.266 -0.441 -2.093
35 HB3 TYR 8 2HB TYR 8 -3.781 -1.727 -3.189
36 HD1 TYR 8 2HD TYR 8 -6.314 0.951 -2.624
37 HD2 TYR 8 1HD TYR 8 -4.622 -1.855 -5.435
38 HE1 TYR 8 2HE TYR 8 -7.530 2.077 -4.486
39 HE2 TYR 8 1HE TYR 8 -5.827 -0.719 -7.290
40 HH TYR 8 HH TYR 8 -7.259 0.972 -7.885
41 H VAL 9 H VAL 9 -3.749 -4.205 -1.913
42 HA VAL 9 HA VAL 9 -3.356 -4.018 1.049
43 HB VAL 9 HB VAL 9 -3.524 -6.568 -0.577
44 HG11 VAL 9 1HG1 VAL 9 -3.639 -7.620 1.705
45 HG12 VAL 9 2HG1 VAL 9 -2.090 -6.840 1.382
46 HG13 VAL 9 3HG1 VAL 9 -3.281 -6.033 2.420
47 HG21 VAL 9 3HG2 VAL 9 -5.635 -6.977 0.624
48 HG22 VAL 9 1HG2 VAL 9 -5.515 -5.392 1.410
49 HG23 VAL 9 2HG2 VAL 9 -5.770 -5.512 -0.349
50 H CYS 10 H CYS 10 -1.430 -4.228 1.926
51 HA CYS 10 HA CYS 10 1.007 -3.867 0.504
52 HB2 CYS 10 1HB CYS 10 0.495 -3.148 2.800
53 HB3 CYS 10 2HB CYS 10 0.465 -4.846 3.316
54 H ALA 11 H ALA 11 2.169 -5.236 -0.645
55 HA ALA 11 HA ALA 11 1.714 -8.100 -0.629
56 HB1 ALA 11 1HB ALA 11 3.499 -8.114 -2.326
57 HB2 ALA 11 2HB ALA 11 2.303 -6.851 -2.665
58 HB3 ALA 11 3HB ALA 11 3.879 -6.417 -1.965
59 H LEU 12 H LEU 12 3.409 -6.178 1.542
60 HA LEU 12 HA LEU 12 5.537 -8.188 2.112
61 HB2 LEU 12 1HB LEU 12 5.253 -5.316 3.071
62 HB3 LEU 12 2HB LEU 12 6.572 -6.419 3.393
63 HG LEU 12 HG LEU 12 7.021 -6.459 0.880
64 HD11 LEU 12 1HD1 LEU 12 6.355 -4.318 -0.322
65 HD12 LEU 12 2HD1 LEU 12 5.140 -4.053 0.941
66 HD13 LEU 12 3HD1 LEU 12 5.041 -5.462 -0.135
67 HD21 LEU 12 3HD2 LEU 12 8.302 -5.175 2.594
68 HD22 LEU 12 1HD2 LEU 12 7.193 -3.814 2.332
69 HD23 LEU 12 2HD2 LEU 12 8.269 -4.349 1.023
70 H CYS 13 H CYS 13 3.179 -6.158 3.818
71 HA CYS 13 HA CYS 13 3.122 -8.143 6.051
72 HB2 CYS 13 1HB CYS 13 2.714 -6.500 7.639
73 HB3 CYS 13 2HB CYS 13 4.129 -6.074 6.697
74 H LEU 14 H LEU 14 1.150 -7.445 3.550
75 HA LEU 14 HA LEU 14 -0.982 -7.897 3.033
76 HB2 LEU 14 1HB LEU 14 -0.616 -9.853 5.305
77 HB3 LEU 14 2HB LEU 14 -2.042 -9.828 4.300
78 HG LEU 14 HG LEU 14 -0.553 -11.558 3.606
79 HD11 LEU 14 1HD1 LEU 14 -0.520 -11.160 1.228
80 HD12 LEU 14 2HD1 LEU 14 -0.620 -9.406 1.458
81 HD13 LEU 14 3HD1 LEU 14 -1.988 -10.445 1.915
82 HD21 LEU 14 3HD2 LEU 14 1.588 -11.267 2.601
83 HD22 LEU 14 1HD2 LEU 14 1.636 -10.484 4.191
84 HD23 LEU 14 2HD2 LEU 14 1.494 -9.504 2.709
85 H LYS 15 H LYS 15 -0.657 -5.615 4.691
86 HA LYS 15 HA LYS 15 -3.239 -5.306 6.121
87 HB2 LYS 15 1HB LYS 15 -1.052 -4.530 7.044
88 HB3 LYS 15 2HB LYS 15 -0.920 -3.416 5.668
89 HG2 LYS 15 1HG LYS 15 -2.847 -2.147 6.420
90 HG3 LYS 15 2HG LYS 15 -3.254 -3.359 7.641
91 HD2 LYS 15 1HD LYS 15 -0.699 -1.691 7.666
92 HD3 LYS 15 2HD LYS 15 -2.184 -1.275 8.538
93 HE2 LYS 15 1HE LYS 15 -2.053 -3.467 9.752
94 HE3 LYS 15 2HE LYS 15 -0.511 -3.796 8.949
95 HZ1 LYS 15 3HZ LYS 15 0.396 -1.802 10.021
96 HZ2 LYS 15 1HZ LYS 15 -0.179 -2.830 11.149
97 HZ3 LYS 15 2HZ LYS 15 -1.031 -1.497 10.760
98 H LYS 16 H LYS 16 -4.895 -3.965 5.453
99 HA LYS 16 HA LYS 16 -4.918 -3.244 2.588
100 HB2 LYS 16 1HB LYS 16 -6.679 -4.694 3.705
101 HB3 LYS 16 2HB LYS 16 -7.280 -3.228 4.490
102 HG2 LYS 16 1HG LYS 16 -7.697 -2.216 2.238
103 HG3 LYS 16 2HG LYS 16 -7.020 -3.661 1.473
104 HD2 LYS 16 1HD LYS 16 -8.841 -4.981 2.746
105 HD3 LYS 16 2HD LYS 16 -9.573 -3.398 3.094
106 HE2 LYS 16 1HE LYS 16 -9.612 -2.948 0.611
107 HE3 LYS 16 2HE LYS 16 -8.948 -4.569 0.345
108 HZ1 LYS 16 3HZ LYS 16 -11.620 -3.892 1.465
109 HZ2 LYS 16 1HZ LYS 16 -10.991 -5.410 1.540
110 HZ3 LYS 16 2HZ LYS 16 -11.303 -4.717 0.099
111 H PHE 17 H PHE 17 -5.507 -1.335 1.740
112 HA PHE 17 HA PHE 17 -5.548 1.125 3.428
113 HB2 PHE 17 1HB PHE 17 -3.748 0.532 1.043
114 HB3 PHE 17 2HB PHE 17 -3.973 2.137 1.732
115 HD1 PHE 17 2HD PHE 17 -3.288 2.638 4.078
116 HD2 PHE 17 1HD PHE 17 -2.332 -1.118 2.178
117 HE1 PHE 17 2HE PHE 17 -1.732 2.091 5.936
118 HE2 PHE 17 1HE PHE 17 -0.768 -1.648 4.027
119 HZ PHE 17 HZ PHE 17 -0.517 -0.074 5.931
120 H VAL 18 H VAL 18 -6.518 2.910 2.572
121 HA VAL 18 HA VAL 18 -8.869 2.493 1.046
122 HB VAL 18 HB VAL 18 -8.631 4.108 2.851
123 HG11 VAL 18 1HG1 VAL 18 -7.524 6.265 2.586
124 HG12 VAL 18 2HG1 VAL 18 -6.342 4.969 2.415
125 HG13 VAL 18 3HG1 VAL 18 -6.946 5.820 0.972
126 HG21 VAL 18 3HG2 VAL 18 -10.416 4.474 1.152
127 HG22 VAL 18 1HG2 VAL 18 -9.872 5.958 1.961
128 HG23 VAL 18 2HG2 VAL 18 -9.334 5.616 0.311
129 H SER 19 H SER 19 -5.702 3.483 -0.047
130 HA SER 19 HA SER 19 -6.611 3.667 -2.859
131 HB2 SER 19 1HB SER 19 -6.836 5.952 -2.175
132 HB3 SER 19 2HB SER 19 -5.292 5.922 -1.312
133 HG SER 19 HG SER 19 -5.339 6.909 -3.497
134 H SER 20 H SER 20 -4.915 3.373 -4.374
135 HA SER 20 HA SER 20 -2.750 1.703 -3.514
136 HB2 SER 20 1HB SER 20 -2.088 1.632 -5.803
137 HB3 SER 20 2HB SER 20 -3.853 1.554 -5.722
138 HG SER 20 HG SER 20 -3.537 3.071 -7.230
139 H ILE 21 H ILE 21 -3.056 5.184 -3.850
140 HA ILE 21 HA ILE 21 -0.207 5.816 -3.783
141 HB ILE 21 HB ILE 21 -2.673 7.421 -3.001
142 HG12 ILE 21 1HG1 ILE 21 -2.701 6.873 -5.377
143 HG13 ILE 21 2HG1 ILE 21 -2.422 8.583 -5.121
144 HG21 ILE 21 1HG2 ILE 21 -1.138 9.419 -3.256
145 HG22 ILE 21 2HG2 ILE 21 -0.852 8.421 -1.832
146 HG23 ILE 21 3HG2 ILE 21 0.230 8.280 -3.232
147 HD11 ILE 21 3HD1 ILE 21 -0.293 6.540 -5.899
148 HD12 ILE 21 1HD1 ILE 21 -1.040 7.750 -6.951
149 HD13 ILE 21 2HD1 ILE 21 0.002 8.272 -5.618
150 H ARG 22 H ARG 22 -2.689 5.274 -1.297
151 HA ARG 22 HA ARG 22 -0.881 5.929 0.944
152 HB2 ARG 22 1HB ARG 22 -3.594 4.560 0.929
153 HB3 ARG 22 2HB ARG 22 -2.760 5.192 2.345
154 HG2 ARG 22 1HG ARG 22 -3.721 6.918 -0.001
155 HG3 ARG 22 2HG ARG 22 -4.619 6.622 1.472
156 HD2 ARG 22 1HD ARG 22 -3.664 8.747 1.670
157 HD3 ARG 22 2HD ARG 22 -2.819 7.683 2.801
158 HE ARG 22 HE ARG 22 -1.270 7.727 0.444
159 HH11 ARG 22 2HH1 ARG 22 -2.296 10.152 2.747
160 HH12 ARG 22 1HH1 ARG 22 -0.814 11.056 2.602
161 HH21 ARG 22 2HH2 ARG 22 0.721 8.848 0.469
162 HH22 ARG 22 1HH2 ARG 22 0.786 10.370 1.295
163 H LEU 23 H LEU 23 -1.832 2.993 -0.759
164 HA LEU 23 HA LEU 23 -0.373 1.162 0.911
165 HB2 LEU 23 1HB LEU 23 -1.987 0.287 -0.598
166 HB3 LEU 23 2HB LEU 23 -1.323 1.184 -1.963
167 HG LEU 23 HG LEU 23 0.644 -0.208 -2.052
168 HD11 LEU 23 1HD1 LEU 23 0.889 -2.208 -0.706
169 HD12 LEU 23 2HD1 LEU 23 -0.568 -1.802 0.245
170 HD13 LEU 23 3HD1 LEU 23 0.895 -0.815 0.365
171 HD21 LEU 23 3HD2 LEU 23 -1.403 -0.933 -3.248
172 HD22 LEU 23 1HD2 LEU 23 -1.860 -1.914 -1.829
173 HD23 LEU 23 2HD2 LEU 23 -0.397 -2.306 -2.748
174 H ARG 24 H ARG 24 0.609 2.976 -2.103
175 HA ARG 24 HA ARG 24 3.319 2.123 -2.155
176 HB2 ARG 24 1HB ARG 24 1.993 4.754 -2.909
177 HB3 ARG 24 2HB ARG 24 3.721 4.523 -3.099
178 HG2 ARG 24 1HG ARG 24 3.410 2.656 -4.645
179 HG3 ARG 24 2HG ARG 24 1.659 2.717 -4.430
180 HD2 ARG 24 1HD ARG 24 1.757 5.147 -5.253
181 HD3 ARG 24 2HD ARG 24 3.452 4.874 -5.630
182 HE ARG 24 HE ARG 24 2.853 3.664 -7.515
183 HH11 ARG 24 1HH1 ARG 24 -0.003 3.840 -5.528
184 HH12 ARG 24 2HH1 ARG 24 -1.100 3.616 -6.864
185 HH21 ARG 24 2HH2 ARG 24 1.433 3.189 -9.180
186 HH22 ARG 24 1HH2 ARG 24 -0.278 3.132 -8.867
187 H SER 25 H SER 25 1.945 4.957 -0.566
188 HA SER 25 HA SER 25 4.331 5.966 0.586
189 HB2 SER 25 1HB SER 25 1.413 6.212 1.415
190 HB3 SER 25 2HB SER 25 2.720 7.246 2.046
191 HG SER 25 HG SER 25 1.804 7.021 -0.650
192 H HIS 26 H HIS 26 1.886 3.737 2.027
193 HA HIS 26 HA HIS 26 2.946 3.451 4.621
194 HB2 HIS 26 1HB HIS 26 0.896 2.376 4.186
195 HB3 HIS 26 2HB HIS 26 1.472 1.614 2.718
196 HD1 HIS 26 1HD HIS 26 1.815 1.154 6.526
197 HD2 HIS 26 2HD HIS 26 2.621 -0.761 2.868
198 HE1 HIS 26 1HE HIS 26 2.426 -1.237 7.117
199 H ILE 27 H ILE 27 3.922 1.699 1.629
200 HA ILE 27 HA ILE 27 5.819 0.013 2.914
201 HB ILE 27 HB ILE 27 5.861 1.001 0.042
202 HG12 ILE 27 1HG1 ILE 27 4.701 -1.644 1.040
203 HG13 ILE 27 2HG1 ILE 27 3.707 -0.222 0.808
204 HG21 ILE 27 1HG2 ILE 27 7.224 -0.948 -0.438
205 HG22 ILE 27 2HG2 ILE 27 7.991 -0.057 0.870
206 HG23 ILE 27 3HG2 ILE 27 7.059 -1.531 1.231
207 HD11 ILE 27 3HD1 ILE 27 3.522 -1.541 -1.174
208 HD12 ILE 27 1HD1 ILE 27 4.465 -0.087 -1.577
209 HD13 ILE 27 2HD1 ILE 27 5.281 -1.652 -1.353
210 H ARG 28 H ARG 28 6.182 3.303 1.588
211 HA ARG 28 HA ARG 28 9.065 3.381 2.006
212 HB2 ARG 28 1HB ARG 28 7.330 5.840 2.023
213 HB3 ARG 28 2HB ARG 28 8.982 5.633 1.444
214 HG2 ARG 28 1HG ARG 28 6.407 4.729 0.121
215 HG3 ARG 28 2HG ARG 28 7.494 5.998 -0.443
216 HD2 ARG 28 1HD ARG 28 9.220 4.289 -0.876
217 HD3 ARG 28 2HD ARG 28 8.098 3.019 -0.305
218 HE ARG 28 HE ARG 28 6.892 4.544 -2.410
219 HH11 ARG 28 2HH1 ARG 28 9.408 2.159 -2.038
220 HH12 ARG 28 1HH1 ARG 28 8.953 1.305 -3.496
221 HH21 ARG 28 2HH2 ARG 28 6.566 3.606 -4.388
222 HH22 ARG 28 1HH2 ARG 28 7.381 2.126 -4.806
223 H GLU 29 H GLU 29 6.271 4.392 3.939
224 HA GLU 29 HA GLU 29 7.716 5.720 6.019
225 HB2 GLU 29 1HB GLU 29 4.944 4.479 5.873
226 HB3 GLU 29 2HB GLU 29 5.553 5.261 7.335
227 HG2 GLU 29 1HG GLU 29 5.921 7.355 6.141
228 HG3 GLU 29 2HG GLU 29 5.388 6.635 4.626
229 H VAL 30 H VAL 30 6.621 2.293 5.818
230 HA VAL 30 HA VAL 30 8.089 1.813 8.388
231 HB VAL 30 HB VAL 30 6.558 0.276 9.035
232 HG11 VAL 30 1HG1 VAL 30 5.822 2.658 9.244
233 HG12 VAL 30 2HG1 VAL 30 4.878 2.466 7.751
234 HG13 VAL 30 3HG1 VAL 30 4.465 1.514 9.192
235 HG21 VAL 30 3HG2 VAL 30 5.139 0.354 6.358
236 HG22 VAL 30 1HG2 VAL 30 6.061 -1.007 7.033
237 HG23 VAL 30 2HG2 VAL 30 4.579 -0.485 7.820
238 H HIS 31 H HIS 31 7.834 0.575 5.117
239 HA HIS 31 HA HIS 31 9.608 -1.720 5.890
240 HB2 HIS 31 1HB HIS 31 8.108 -1.299 3.302
241 HB3 HIS 31 2HB HIS 31 9.055 -2.703 3.759
242 HD1 HIS 31 1HD HIS 31 7.948 -3.720 6.378
243 HD2 HIS 31 2HD HIS 31 5.614 -1.963 3.370
244 HE1 HIS 31 1HE HIS 31 5.588 -4.593 6.724
245 H GLY 32 H GLY 32 9.713 1.399 4.552
246 HA2 GLY 32 1HA GLY 32 11.464 2.697 3.904
247 HA3 GLY 32 2HA GLY 32 12.543 1.444 4.528
248 H ALA 33 H ALA 33 10.380 0.750 1.808
249 HA ALA 33 HA ALA 33 12.603 0.031 0.104
250 HB1 ALA 33 1HB ALA 33 10.415 -1.135 0.097
251 HB2 ALA 33 2HB ALA 33 9.653 0.333 -0.561
252 HB3 ALA 33 3HB ALA 33 10.867 -0.539 -1.512
253 H ALA 34 H ALA 34 13.911 1.651 -0.540
254 HA ALA 34 HA ALA 34 13.075 4.336 -0.958
255 HB1 ALA 34 1HB ALA 34 15.744 2.968 -1.452
256 HB2 ALA 34 2HB ALA 34 15.457 4.721 -1.390
257 HB3 ALA 34 3HB ALA 34 15.202 3.732 0.062
258 H GLN 35 H GLN 35 11.647 4.402 -2.541
259 HA GLN 35 HA GLN 35 12.022 3.793 -5.328
260 HB2 GLN 35 1HB GLN 35 10.145 5.289 -5.741
261 HB3 GLN 35 2HB GLN 35 9.819 4.177 -4.420
262 HG2 GLN 35 1HG GLN 35 10.283 6.012 -2.776
263 HG3 GLN 35 2HG GLN 35 10.601 7.113 -4.117
264 HE21 GLN 35 1HE2 GLN 35 8.820 8.275 -2.733
265 HE22 GLN 35 2HE2 GLN 35 7.173 7.955 -3.260
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -15.189 -10.281 -5.634
2 H2 GLY 1 2H GLY 1 -15.534 -9.006 -6.605
3 H3 GLY 1 3H GLY 1 -16.480 -10.343 -6.641
4 HA2 GLY 1 1HA GLY 1 -17.223 -9.967 -4.387
5 HA3 GLY 1 2HA GLY 1 -16.184 -8.530 -4.331
6 H SER 2 H SER 2 -19.160 -8.863 -4.068
7 HA SER 2 HA SER 2 -20.363 -7.701 -6.446
8 HB2 SER 2 1HB SER 2 -21.532 -8.072 -3.667
9 HB3 SER 2 2HB SER 2 -22.433 -7.795 -5.167
10 HG SER 2 HG SER 2 -21.696 -9.800 -5.939
11 H SER 3 H SER 3 -18.694 -6.214 -3.862
12 HA SER 3 HA SER 3 -20.232 -3.761 -3.666
13 HB2 SER 3 1HB SER 3 -18.226 -2.968 -2.398
14 HB3 SER 3 2HB SER 3 -18.958 -4.454 -1.773
15 HG SER 3 HG SER 3 -16.629 -4.520 -1.939
16 H GLY 4 H GLY 4 -19.550 -1.655 -4.297
17 HA2 GLY 4 1HA GLY 4 -18.674 -1.477 -7.037
18 HA3 GLY 4 2HA GLY 4 -19.062 -0.140 -5.954
19 H SER 5 H SER 5 -16.867 -1.313 -4.059
20 HA SER 5 HA SER 5 -14.359 -0.866 -5.496
21 HB2 SER 5 1HB SER 5 -15.203 1.456 -4.995
22 HB3 SER 5 2HB SER 5 -15.148 1.056 -3.268
23 HG SER 5 HG SER 5 -13.235 2.119 -4.045
24 H SER 6 H SER 6 -12.513 -1.388 -4.244
25 HA SER 6 HA SER 6 -12.766 -2.324 -1.483
26 HB2 SER 6 1HB SER 6 -13.345 -4.338 -2.848
27 HB3 SER 6 2HB SER 6 -11.750 -4.243 -3.613
28 HG SER 6 HG SER 6 -11.927 -5.684 -1.776
29 H GLY 7 H GLY 7 -10.804 -2.311 -0.394
30 HA2 GLY 7 1HA GLY 7 -8.873 -0.416 -1.346
31 HA3 GLY 7 2HA GLY 7 -8.795 -1.307 0.163
32 H TYR 8 H TYR 8 -6.544 -0.697 -1.094
33 HA TYR 8 HA TYR 8 -5.533 -2.993 -2.709
34 HB2 TYR 8 1HB TYR 8 -4.279 -0.309 -2.018
35 HB3 TYR 8 2HB TYR 8 -3.560 -1.541 -3.039
36 HD1 TYR 8 2HD TYR 8 -6.410 0.870 -2.799
37 HD2 TYR 8 1HD TYR 8 -4.109 -1.738 -5.357
38 HE1 TYR 8 2HE TYR 8 -7.485 1.886 -4.805
39 HE2 TYR 8 1HE TYR 8 -5.184 -0.721 -7.356
40 HH TYR 8 HH TYR 8 -6.686 0.822 -8.136
41 H VAL 9 H VAL 9 -3.785 -4.289 -1.965
42 HA VAL 9 HA VAL 9 -3.363 -4.121 0.989
43 HB VAL 9 HB VAL 9 -3.518 -6.658 -0.647
44 HG11 VAL 9 1HG1 VAL 9 -3.748 -7.702 1.622
45 HG12 VAL 9 2HG1 VAL 9 -2.190 -6.903 1.418
46 HG13 VAL 9 3HG1 VAL 9 -3.464 -6.115 2.367
47 HG21 VAL 9 3HG2 VAL 9 -5.739 -5.624 -0.612
48 HG22 VAL 9 1HG2 VAL 9 -5.711 -6.990 0.504
49 HG23 VAL 9 2HG2 VAL 9 -5.601 -5.332 1.135
50 H CYS 10 H CYS 10 -1.444 -4.306 1.872
51 HA CYS 10 HA CYS 10 0.968 -3.970 0.389
52 HB2 CYS 10 1HB CYS 10 0.423 -3.149 2.678
53 HB3 CYS 10 2HB CYS 10 0.471 -4.818 3.268
54 H ALA 11 H ALA 11 2.163 -5.383 -0.673
55 HA ALA 11 HA ALA 11 1.727 -8.243 -0.511
56 HB1 ALA 11 1HB ALA 11 3.900 -6.623 -1.909
57 HB2 ALA 11 2HB ALA 11 3.527 -8.337 -2.190
58 HB3 ALA 11 3HB ALA 11 2.332 -7.095 -2.602
59 H LEU 12 H LEU 12 3.407 -6.196 1.555
60 HA LEU 12 HA LEU 12 5.546 -8.144 2.251
61 HB2 LEU 12 1HB LEU 12 5.179 -5.242 3.088
62 HB3 LEU 12 2HB LEU 12 6.518 -6.298 3.479
63 HG LEU 12 HG LEU 12 7.020 -6.439 0.985
64 HD11 LEU 12 1HD1 LEU 12 5.071 -4.087 0.881
65 HD12 LEU 12 2HD1 LEU 12 5.037 -5.554 -0.122
66 HD13 LEU 12 3HD1 LEU 12 6.325 -4.385 -0.340
67 HD21 LEU 12 3HD2 LEU 12 8.212 -4.303 1.044
68 HD22 LEU 12 1HD2 LEU 12 8.218 -5.029 2.664
69 HD23 LEU 12 2HD2 LEU 12 7.085 -3.714 2.286
70 H CYS 13 H CYS 13 3.121 -6.105 3.848
71 HA CYS 13 HA CYS 13 3.051 -8.025 6.138
72 HB2 CYS 13 1HB CYS 13 2.558 -6.324 7.656
73 HB3 CYS 13 2HB CYS 13 4.001 -5.922 6.743
74 H LEU 14 H LEU 14 1.111 -7.448 3.580
75 HA LEU 14 HA LEU 14 -0.998 -7.981 3.040
76 HB2 LEU 14 1HB LEU 14 -0.648 -9.836 5.397
77 HB3 LEU 14 2HB LEU 14 -2.033 -9.893 4.335
78 HG LEU 14 HG LEU 14 -0.486 -11.606 3.766
79 HD11 LEU 14 1HD1 LEU 14 -1.847 -10.574 1.965
80 HD12 LEU 14 2HD1 LEU 14 -0.336 -11.288 1.380
81 HD13 LEU 14 3HD1 LEU 14 -0.472 -9.529 1.544
82 HD21 LEU 14 3HD2 LEU 14 1.699 -11.319 2.866
83 HD22 LEU 14 1HD2 LEU 14 1.654 -10.477 4.424
84 HD23 LEU 14 2HD2 LEU 14 1.576 -9.555 2.902
85 H LYS 15 H LYS 15 -0.746 -5.642 4.691
86 HA LYS 15 HA LYS 15 -3.388 -5.360 6.010
87 HB2 LYS 15 1HB LYS 15 -1.291 -4.490 7.024
88 HB3 LYS 15 2HB LYS 15 -1.076 -3.451 5.602
89 HG2 LYS 15 1HG LYS 15 -3.049 -2.153 6.163
90 HG3 LYS 15 2HG LYS 15 -3.529 -3.316 7.414
91 HD2 LYS 15 1HD LYS 15 -1.593 -2.725 8.780
92 HD3 LYS 15 2HD LYS 15 -0.983 -1.638 7.515
93 HE2 LYS 15 1HE LYS 15 -3.017 -0.242 7.707
94 HE3 LYS 15 2HE LYS 15 -3.680 -1.345 8.919
95 HZ1 LYS 15 3HZ LYS 15 -2.636 0.579 9.963
96 HZ2 LYS 15 1HZ LYS 15 -1.198 0.257 9.265
97 HZ3 LYS 15 2HZ LYS 15 -1.818 -0.767 10.379
98 H LYS 16 H LYS 16 -5.067 -4.145 5.226
99 HA LYS 16 HA LYS 16 -4.957 -3.286 2.401
100 HB2 LYS 16 1HB LYS 16 -6.714 -4.847 3.136
101 HB3 LYS 16 2HB LYS 16 -7.341 -3.631 4.254
102 HG2 LYS 16 1HG LYS 16 -7.951 -2.156 2.450
103 HG3 LYS 16 2HG LYS 16 -7.102 -3.137 1.252
104 HD2 LYS 16 1HD LYS 16 -9.458 -4.204 2.860
105 HD3 LYS 16 2HD LYS 16 -9.659 -3.296 1.358
106 HE2 LYS 16 1HE LYS 16 -8.123 -4.959 0.214
107 HE3 LYS 16 2HE LYS 16 -8.170 -5.932 1.691
108 HZ1 LYS 16 3HZ LYS 16 -9.835 -6.696 0.126
109 HZ2 LYS 16 1HZ LYS 16 -10.512 -5.220 -0.011
110 HZ3 LYS 16 2HZ LYS 16 -10.619 -6.048 1.401
111 H PHE 17 H PHE 17 -5.427 -1.333 1.621
112 HA PHE 17 HA PHE 17 -5.734 1.018 3.439
113 HB2 PHE 17 1HB PHE 17 -3.857 0.674 1.068
114 HB3 PHE 17 2HB PHE 17 -4.153 2.198 1.888
115 HD1 PHE 17 1HD PHE 17 -2.531 -1.112 2.167
116 HD2 PHE 17 2HD PHE 17 -3.323 2.636 4.152
117 HE1 PHE 17 1HE PHE 17 -0.862 -1.678 3.911
118 HE2 PHE 17 2HE PHE 17 -1.656 2.059 5.902
119 HZ PHE 17 HZ PHE 17 -0.456 -0.116 5.795
120 H VAL 18 H VAL 18 -6.713 2.841 2.554
121 HA VAL 18 HA VAL 18 -8.961 2.373 0.890
122 HB VAL 18 HB VAL 18 -8.851 3.978 2.729
123 HG11 VAL 18 1HG1 VAL 18 -7.838 6.184 2.505
124 HG12 VAL 18 2HG1 VAL 18 -6.589 4.950 2.341
125 HG13 VAL 18 3HG1 VAL 18 -7.217 5.782 0.898
126 HG21 VAL 18 3HG2 VAL 18 -10.601 4.248 0.978
127 HG22 VAL 18 1HG2 VAL 18 -10.162 5.758 1.801
128 HG23 VAL 18 2HG2 VAL 18 -9.560 5.446 0.168
129 H SER 19 H SER 19 -5.751 3.323 -0.058
130 HA SER 19 HA SER 19 -6.539 3.498 -2.898
131 HB2 SER 19 1HB SER 19 -6.810 5.791 -2.251
132 HB3 SER 19 2HB SER 19 -5.293 5.786 -1.344
133 HG SER 19 HG SER 19 -5.288 6.754 -3.534
134 H SER 20 H SER 20 -4.778 3.274 -4.349
135 HA SER 20 HA SER 20 -2.588 1.606 -3.540
136 HB2 SER 20 1HB SER 20 -1.761 2.030 -5.840
137 HB3 SER 20 2HB SER 20 -3.458 1.526 -5.793
138 HG SER 20 HG SER 20 -3.152 3.310 -7.197
139 H ILE 21 H ILE 21 -2.940 5.129 -3.902
140 HA ILE 21 HA ILE 21 -0.129 5.768 -3.640
141 HB ILE 21 HB ILE 21 -2.573 7.465 -3.004
142 HG12 ILE 21 1HG1 ILE 21 -2.776 6.768 -5.299
143 HG13 ILE 21 2HG1 ILE 21 -2.290 8.448 -5.249
144 HG21 ILE 21 1HG2 ILE 21 0.339 8.218 -3.480
145 HG22 ILE 21 2HG2 ILE 21 -1.008 9.381 -3.468
146 HG23 ILE 21 3HG2 ILE 21 -0.623 8.468 -2.008
147 HD11 ILE 21 3HD1 ILE 21 0.067 7.772 -5.791
148 HD12 ILE 21 1HD1 ILE 21 -0.478 6.078 -5.895
149 HD13 ILE 21 2HD1 ILE 21 -1.105 7.284 -7.027
150 H ARG 22 H ARG 22 -2.763 5.415 -1.284
151 HA ARG 22 HA ARG 22 -1.234 6.181 1.068
152 HB2 ARG 22 1HB ARG 22 -3.723 4.446 0.761
153 HB3 ARG 22 2HB ARG 22 -3.096 5.020 2.296
154 HG2 ARG 22 1HG ARG 22 -3.928 6.910 0.045
155 HG3 ARG 22 2HG ARG 22 -5.049 6.321 1.250
156 HD2 ARG 22 1HD ARG 22 -2.552 7.899 1.876
157 HD3 ARG 22 2HD ARG 22 -4.178 8.579 1.702
158 HE ARG 22 HE ARG 22 -4.375 6.528 3.624
159 HH11 ARG 22 2HH1 ARG 22 -2.791 9.645 3.415
160 HH12 ARG 22 1HH1 ARG 22 -2.844 9.891 5.139
161 HH21 ARG 22 2HH2 ARG 22 -4.405 6.902 5.818
162 HH22 ARG 22 1HH2 ARG 22 -3.739 8.376 6.455
163 H LEU 23 H LEU 23 -1.837 3.061 -0.548
164 HA LEU 23 HA LEU 23 -0.349 1.451 1.295
165 HB2 LEU 23 1HB LEU 23 -1.922 0.403 -0.160
166 HB3 LEU 23 2HB LEU 23 -1.231 1.159 -1.594
167 HG LEU 23 HG LEU 23 0.795 -0.180 -1.397
168 HD11 LEU 23 1HD1 LEU 23 -0.552 -1.700 0.871
169 HD12 LEU 23 2HD1 LEU 23 0.726 -0.506 1.141
170 HD13 LEU 23 3HD1 LEU 23 1.082 -1.929 0.193
171 HD21 LEU 23 3HD2 LEU 23 -1.082 -1.043 -2.713
172 HD22 LEU 23 1HD2 LEU 23 -1.738 -1.850 -1.269
173 HD23 LEU 23 2HD2 LEU 23 -0.180 -2.365 -1.951
174 H ARG 24 H ARG 24 0.620 3.022 -1.831
175 HA ARG 24 HA ARG 24 3.321 2.134 -1.819
176 HB2 ARG 24 1HB ARG 24 1.958 4.605 -2.934
177 HB3 ARG 24 2HB ARG 24 3.686 4.324 -3.168
178 HG2 ARG 24 1HG ARG 24 3.339 2.322 -4.419
179 HG3 ARG 24 2HG ARG 24 1.635 2.221 -3.964
180 HD2 ARG 24 1HD ARG 24 1.193 4.349 -5.178
181 HD3 ARG 24 2HD ARG 24 2.894 4.388 -5.694
182 HE ARG 24 HE ARG 24 1.783 1.872 -6.433
183 HH11 ARG 24 2HH1 ARG 24 1.473 5.220 -7.418
184 HH12 ARG 24 1HH1 ARG 24 0.942 4.795 -9.022
185 HH21 ARG 24 2HH2 ARG 24 1.121 1.400 -8.503
186 HH22 ARG 24 1HH2 ARG 24 0.758 2.687 -9.615
187 H SER 25 H SER 25 1.991 5.168 -0.501
188 HA SER 25 HA SER 25 4.367 6.167 0.669
189 HB2 SER 25 1HB SER 25 2.234 7.416 0.370
190 HB3 SER 25 2HB SER 25 1.505 6.464 1.677
191 HG SER 25 HG SER 25 2.364 8.510 2.375
192 H HIS 26 H HIS 26 1.958 3.891 2.080
193 HA HIS 26 HA HIS 26 3.131 3.628 4.670
194 HB2 HIS 26 1HB HIS 26 1.036 2.659 4.505
195 HB3 HIS 26 2HB HIS 26 1.346 1.911 2.960
196 HD1 HIS 26 1HD HIS 26 1.878 1.239 6.675
197 HD2 HIS 26 2HD HIS 26 2.569 -0.508 2.912
198 HE1 HIS 26 1HE HIS 26 2.407 -1.196 7.132
199 H ILE 27 H ILE 27 3.862 1.813 1.639
200 HA ILE 27 HA ILE 27 5.755 0.074 2.872
201 HB ILE 27 HB ILE 27 5.642 0.971 -0.033
202 HG12 ILE 27 1HG1 ILE 27 4.561 -1.612 1.196
203 HG13 ILE 27 2HG1 ILE 27 3.561 -0.208 0.883
204 HG21 ILE 27 1HG2 ILE 27 6.975 -1.040 -0.511
205 HG22 ILE 27 2HG2 ILE 27 7.845 -0.022 0.624
206 HG23 ILE 27 3HG2 ILE 27 6.981 -1.469 1.209
207 HD11 ILE 27 3HD1 ILE 27 4.147 -0.318 -1.542
208 HD12 ILE 27 1HD1 ILE 27 5.007 -1.847 -1.222
209 HD13 ILE 27 2HD1 ILE 27 3.267 -1.736 -0.934
210 H ARG 28 H ARG 28 6.216 3.312 1.416
211 HA ARG 28 HA ARG 28 9.107 3.242 1.808
212 HB2 ARG 28 1HB ARG 28 7.501 5.786 1.776
213 HB3 ARG 28 2HB ARG 28 9.166 5.511 1.274
214 HG2 ARG 28 1HG ARG 28 6.615 4.786 -0.167
215 HG3 ARG 28 2HG ARG 28 7.824 5.937 -0.673
216 HD2 ARG 28 1HD ARG 28 8.120 2.902 -0.588
217 HD3 ARG 28 2HD ARG 28 7.821 3.864 -2.023
218 HE ARG 28 HE ARG 28 10.374 3.350 -0.798
219 HH11 ARG 28 2HH1 ARG 28 8.789 5.882 -2.659
220 HH12 ARG 28 1HH1 ARG 28 10.314 6.471 -3.262
221 HH21 ARG 28 2HH2 ARG 28 12.169 4.088 -1.606
222 HH22 ARG 28 1HH2 ARG 28 12.214 5.493 -2.658
223 H GLU 29 H GLU 29 6.417 4.448 3.791
224 HA GLU 29 HA GLU 29 8.060 5.719 5.769
225 HB2 GLU 29 1HB GLU 29 5.168 4.797 5.728
226 HB3 GLU 29 2HB GLU 29 5.875 5.571 7.141
227 HG2 GLU 29 1HG GLU 29 5.872 6.866 4.383
228 HG3 GLU 29 2HG GLU 29 4.599 7.093 5.577
229 H VAL 30 H VAL 30 6.640 2.404 5.731
230 HA VAL 30 HA VAL 30 8.083 1.918 8.313
231 HB VAL 30 HB VAL 30 6.543 0.423 8.971
232 HG11 VAL 30 1HG1 VAL 30 4.440 1.647 9.068
233 HG12 VAL 30 2HG1 VAL 30 5.791 2.798 9.115
234 HG13 VAL 30 3HG1 VAL 30 4.867 2.567 7.611
235 HG21 VAL 30 3HG2 VAL 30 5.154 0.401 6.280
236 HG22 VAL 30 1HG2 VAL 30 6.071 -0.929 7.022
237 HG23 VAL 30 2HG2 VAL 30 4.579 -0.383 7.768
238 H HIS 31 H HIS 31 7.819 0.599 5.054
239 HA HIS 31 HA HIS 31 9.528 -1.716 5.907
240 HB2 HIS 31 1HB HIS 31 8.082 -1.312 3.285
241 HB3 HIS 31 2HB HIS 31 8.984 -2.729 3.788
242 HD1 HIS 31 1HD HIS 31 7.821 -3.641 6.425
243 HD2 HIS 31 2HD HIS 31 5.570 -1.910 3.340
244 HE1 HIS 31 1HE HIS 31 5.436 -4.426 6.777
245 H GLY 32 H GLY 32 9.727 1.350 4.462
246 HA2 GLY 32 1HA GLY 32 11.453 2.565 3.608
247 HA3 GLY 32 2HA GLY 32 12.525 1.443 4.460
248 H ALA 33 H ALA 33 10.425 0.574 1.700
249 HA ALA 33 HA ALA 33 12.418 -0.755 0.275
250 HB1 ALA 33 1HB ALA 33 10.008 -1.171 0.027
251 HB2 ALA 33 2HB ALA 33 9.796 0.432 -0.727
252 HB3 ALA 33 3HB ALA 33 10.757 -0.819 -1.540
253 H ALA 34 H ALA 34 13.894 -0.190 -1.015
254 HA ALA 34 HA ALA 34 13.884 2.132 -2.778
255 HB1 ALA 34 1HB ALA 34 16.053 3.012 -1.949
256 HB2 ALA 34 2HB ALA 34 14.790 3.135 -0.709
257 HB3 ALA 34 3HB ALA 34 16.013 1.851 -0.603
258 H GLN 35 H GLN 35 14.700 1.504 -4.627
259 HA GLN 35 HA GLN 35 16.075 -1.038 -5.018
260 HB2 GLN 35 1HB GLN 35 14.328 -0.310 -6.559
261 HB3 GLN 35 2HB GLN 35 15.218 1.167 -6.929
262 HG2 GLN 35 1HG GLN 35 15.434 -0.412 -8.745
263 HG3 GLN 35 2HG GLN 35 17.004 -0.136 -8.009
264 HE21 GLN 35 1HE2 GLN 35 17.792 -1.878 -6.453
265 HE22 GLN 35 2HE2 GLN 35 17.309 -3.547 -6.817
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -22.189 -10.811 -10.413
2 H2 GLY 1 2H GLY 1 -23.261 -9.575 -10.500
3 H3 GLY 1 3H GLY 1 -22.515 -9.913 -9.081
4 HA2 GLY 1 1HA GLY 1 -20.374 -9.294 -9.978
5 HA3 GLY 1 2HA GLY 1 -21.172 -8.942 -11.523
6 H SER 2 H SER 2 -19.628 -7.195 -9.664
7 HA SER 2 HA SER 2 -21.621 -5.005 -9.253
8 HB2 SER 2 1HB SER 2 -19.476 -5.854 -7.270
9 HB3 SER 2 2HB SER 2 -20.531 -4.437 -7.123
10 HG SER 2 HG SER 2 -21.316 -6.240 -5.929
11 H SER 3 H SER 3 -20.770 -2.884 -9.268
12 HA SER 3 HA SER 3 -18.458 -2.473 -11.015
13 HB2 SER 3 1HB SER 3 -19.160 -0.099 -10.906
14 HB3 SER 3 2HB SER 3 -20.449 -1.194 -11.424
15 HG SER 3 HG SER 3 -21.174 0.325 -9.853
16 H GLY 4 H GLY 4 -16.841 -0.787 -10.531
17 HA2 GLY 4 1HA GLY 4 -15.197 0.219 -9.245
18 HA3 GLY 4 2HA GLY 4 -16.187 -0.039 -7.813
19 H SER 5 H SER 5 -14.213 -0.488 -6.699
20 HA SER 5 HA SER 5 -13.360 -3.323 -6.823
21 HB2 SER 5 1HB SER 5 -11.000 -2.747 -6.690
22 HB3 SER 5 2HB SER 5 -11.711 -2.089 -8.170
23 HG SER 5 HG SER 5 -10.401 -0.537 -7.134
24 H SER 6 H SER 6 -12.122 -3.995 -4.892
25 HA SER 6 HA SER 6 -13.494 -3.041 -2.498
26 HB2 SER 6 1HB SER 6 -12.474 -5.048 -1.469
27 HB3 SER 6 2HB SER 6 -13.391 -5.400 -2.942
28 HG SER 6 HG SER 6 -11.356 -6.472 -2.919
29 H GLY 7 H GLY 7 -10.480 -2.221 -3.858
30 HA2 GLY 7 1HA GLY 7 -9.206 -0.419 -2.692
31 HA3 GLY 7 2HA GLY 7 -9.353 -1.351 -1.211
32 H TYR 8 H TYR 8 -7.045 -1.185 -1.088
33 HA TYR 8 HA TYR 8 -5.493 -3.041 -2.862
34 HB2 TYR 8 1HB TYR 8 -4.624 -0.337 -1.768
35 HB3 TYR 8 2HB TYR 8 -3.658 -1.419 -2.762
36 HD1 TYR 8 2HD TYR 8 -6.629 0.823 -2.738
37 HD2 TYR 8 1HD TYR 8 -3.946 -1.521 -5.173
38 HE1 TYR 8 2HE TYR 8 -7.580 1.864 -4.787
39 HE2 TYR 8 1HE TYR 8 -4.883 -0.461 -7.220
40 HH TYR 8 HH TYR 8 -6.399 1.033 -8.072
41 H VAL 9 H VAL 9 -3.703 -4.144 -1.889
42 HA VAL 9 HA VAL 9 -3.492 -3.961 1.069
43 HB VAL 9 HB VAL 9 -3.673 -6.588 -0.444
44 HG11 VAL 9 1HG1 VAL 9 -3.875 -7.531 1.859
45 HG12 VAL 9 2HG1 VAL 9 -2.335 -6.705 1.622
46 HG13 VAL 9 3HG1 VAL 9 -3.624 -5.909 2.536
47 HG21 VAL 9 3HG2 VAL 9 -5.841 -6.919 0.719
48 HG22 VAL 9 1HG2 VAL 9 -5.755 -5.255 1.335
49 HG23 VAL 9 2HG2 VAL 9 -5.919 -5.566 -0.409
50 H CYS 10 H CYS 10 -1.525 -4.261 1.925
51 HA CYS 10 HA CYS 10 0.840 -3.890 0.410
52 HB2 CYS 10 1HB CYS 10 0.388 -3.257 2.775
53 HB3 CYS 10 2HB CYS 10 0.435 -4.965 3.222
54 H ALA 11 H ALA 11 2.343 -5.185 -0.421
55 HA ALA 11 HA ALA 11 1.786 -8.065 -0.688
56 HB1 ALA 11 1HB ALA 11 2.437 -6.722 -2.648
57 HB2 ALA 11 2HB ALA 11 3.990 -6.325 -1.875
58 HB3 ALA 11 3HB ALA 11 3.617 -8.003 -2.318
59 H LEU 12 H LEU 12 3.370 -6.195 1.608
60 HA LEU 12 HA LEU 12 5.502 -8.212 2.169
61 HB2 LEU 12 1HB LEU 12 5.298 -5.334 3.117
62 HB3 LEU 12 2HB LEU 12 6.614 -6.460 3.359
63 HG LEU 12 HG LEU 12 6.853 -6.459 0.751
64 HD11 LEU 12 1HD1 LEU 12 5.270 -3.873 1.153
65 HD12 LEU 12 2HD1 LEU 12 4.825 -5.207 0.080
66 HD13 LEU 12 3HD1 LEU 12 6.254 -4.247 -0.274
67 HD21 LEU 12 3HD2 LEU 12 8.258 -4.437 0.925
68 HD22 LEU 12 1HD2 LEU 12 8.410 -5.450 2.376
69 HD23 LEU 12 2HD2 LEU 12 7.391 -4.001 2.416
70 H CYS 13 H CYS 13 3.249 -6.083 3.912
71 HA CYS 13 HA CYS 13 3.164 -8.031 6.173
72 HB2 CYS 13 1HB CYS 13 2.650 -6.311 7.678
73 HB3 CYS 13 2HB CYS 13 4.097 -5.906 6.774
74 H LEU 14 H LEU 14 1.228 -7.244 3.617
75 HA LEU 14 HA LEU 14 -0.910 -7.584 3.042
76 HB2 LEU 14 1HB LEU 14 -0.539 -9.735 5.106
77 HB3 LEU 14 2HB LEU 14 -2.047 -9.556 4.225
78 HG LEU 14 HG LEU 14 -0.920 -9.811 2.072
79 HD11 LEU 14 1HD1 LEU 14 1.362 -9.073 2.440
80 HD12 LEU 14 2HD1 LEU 14 1.401 -10.772 2.002
81 HD13 LEU 14 3HD1 LEU 14 1.607 -10.305 3.705
82 HD21 LEU 14 3HD2 LEU 14 -0.291 -12.031 4.060
83 HD22 LEU 14 1HD2 LEU 14 -0.459 -12.210 2.297
84 HD23 LEU 14 2HD2 LEU 14 -1.860 -11.750 3.274
85 H LYS 15 H LYS 15 -0.499 -5.466 4.991
86 HA LYS 15 HA LYS 15 -3.067 -5.043 6.323
87 HB2 LYS 15 1HB LYS 15 -0.880 -4.052 7.027
88 HB3 LYS 15 2HB LYS 15 -0.862 -3.149 5.493
89 HG2 LYS 15 1HG LYS 15 -2.791 -1.839 6.164
90 HG3 LYS 15 2HG LYS 15 -3.106 -2.902 7.548
91 HD2 LYS 15 1HD LYS 15 -1.040 -2.154 8.639
92 HD3 LYS 15 2HD LYS 15 -0.643 -1.129 7.243
93 HE2 LYS 15 1HE LYS 15 -2.707 0.182 7.588
94 HE3 LYS 15 2HE LYS 15 -3.183 -0.880 8.918
95 HZ1 LYS 15 3HZ LYS 15 -0.777 0.865 8.925
96 HZ2 LYS 15 1HZ LYS 15 -1.218 -0.131 10.146
97 HZ3 LYS 15 2HZ LYS 15 -2.154 1.145 9.753
98 H LYS 16 H LYS 16 -4.800 -3.837 5.617
99 HA LYS 16 HA LYS 16 -5.015 -3.366 2.702
100 HB2 LYS 16 1HB LYS 16 -6.571 -4.884 3.848
101 HB3 LYS 16 2HB LYS 16 -7.172 -3.545 4.835
102 HG2 LYS 16 1HG LYS 16 -8.094 -2.429 2.900
103 HG3 LYS 16 2HG LYS 16 -7.261 -3.531 1.787
104 HD2 LYS 16 1HD LYS 16 -8.569 -5.433 2.710
105 HD3 LYS 16 2HD LYS 16 -9.483 -4.307 3.728
106 HE2 LYS 16 1HE LYS 16 -9.291 -4.153 0.685
107 HE3 LYS 16 2HE LYS 16 -10.580 -5.008 1.532
108 HZ1 LYS 16 3HZ LYS 16 -11.198 -2.733 0.900
109 HZ2 LYS 16 1HZ LYS 16 -10.041 -2.104 1.861
110 HZ3 LYS 16 2HZ LYS 16 -11.289 -2.935 2.526
111 H PHE 17 H PHE 17 -5.841 -1.588 1.755
112 HA PHE 17 HA PHE 17 -5.888 1.010 3.212
113 HB2 PHE 17 1HB PHE 17 -4.187 0.274 0.792
114 HB3 PHE 17 2HB PHE 17 -4.429 1.917 1.365
115 HD1 PHE 17 2HD PHE 17 -3.569 2.654 3.583
116 HD2 PHE 17 1HD PHE 17 -2.672 -1.244 1.967
117 HE1 PHE 17 2HE PHE 17 -1.769 2.368 5.270
118 HE2 PHE 17 1HE PHE 17 -0.877 -1.526 3.654
119 HZ PHE 17 HZ PHE 17 -0.455 0.262 5.327
120 H VAL 18 H VAL 18 -6.865 2.716 2.161
121 HA VAL 18 HA VAL 18 -9.143 2.128 0.487
122 HB VAL 18 HB VAL 18 -9.177 3.771 2.279
123 HG11 VAL 18 1HG1 VAL 18 -7.312 5.507 0.590
124 HG12 VAL 18 2HG1 VAL 18 -8.151 6.000 2.066
125 HG13 VAL 18 3HG1 VAL 18 -6.923 4.743 2.149
126 HG21 VAL 18 3HG2 VAL 18 -10.418 5.525 1.210
127 HG22 VAL 18 1HG2 VAL 18 -9.681 5.179 -0.364
128 HG23 VAL 18 2HG2 VAL 18 -10.773 3.994 0.392
129 H SER 19 H SER 19 -5.899 3.226 -0.241
130 HA SER 19 HA SER 19 -6.486 3.369 -3.142
131 HB2 SER 19 1HB SER 19 -6.907 5.630 -2.454
132 HB3 SER 19 2HB SER 19 -5.433 5.676 -1.479
133 HG SER 19 HG SER 19 -5.374 6.672 -3.660
134 H SER 20 H SER 20 -4.647 3.182 -4.464
135 HA SER 20 HA SER 20 -2.413 1.658 -3.508
136 HB2 SER 20 1HB SER 20 -1.478 2.095 -5.753
137 HB3 SER 20 2HB SER 20 -3.151 1.522 -5.814
138 HG SER 20 HG SER 20 -2.834 3.306 -7.210
139 H ILE 21 H ILE 21 -2.964 5.151 -3.827
140 HA ILE 21 HA ILE 21 -0.213 5.968 -3.500
141 HB ILE 21 HB ILE 21 -2.790 7.442 -2.833
142 HG12 ILE 21 1HG1 ILE 21 -2.827 6.860 -5.178
143 HG13 ILE 21 2HG1 ILE 21 -2.526 8.575 -4.996
144 HG21 ILE 21 1HG2 ILE 21 -1.363 9.500 -3.120
145 HG22 ILE 21 2HG2 ILE 21 -0.985 8.533 -1.692
146 HG23 ILE 21 3HG2 ILE 21 0.069 8.438 -3.117
147 HD11 ILE 21 3HD1 ILE 21 -1.155 7.668 -6.789
148 HD12 ILE 21 1HD1 ILE 21 -0.093 8.187 -5.471
149 HD13 ILE 21 2HD1 ILE 21 -0.447 6.458 -5.712
150 H ARG 22 H ARG 22 -2.842 5.426 -1.150
151 HA ARG 22 HA ARG 22 -1.350 6.158 1.225
152 HB2 ARG 22 1HB ARG 22 -3.686 4.223 0.878
153 HB3 ARG 22 2HB ARG 22 -3.103 4.829 2.416
154 HG2 ARG 22 1HG ARG 22 -4.284 6.556 0.192
155 HG3 ARG 22 2HG ARG 22 -5.156 5.958 1.598
156 HD2 ARG 22 1HD ARG 22 -2.859 7.897 1.603
157 HD3 ARG 22 2HD ARG 22 -4.537 8.300 1.878
158 HE ARG 22 HE ARG 22 -2.652 7.102 3.783
159 HH11 ARG 22 2HH1 ARG 22 -6.062 7.690 3.214
160 HH12 ARG 22 1HH1 ARG 22 -6.468 7.468 4.894
161 HH21 ARG 22 2HH2 ARG 22 -3.244 6.839 5.900
162 HH22 ARG 22 1HH2 ARG 22 -4.910 7.005 6.366
163 H LEU 23 H LEU 23 -1.761 3.086 -0.521
164 HA LEU 23 HA LEU 23 -0.228 1.496 1.302
165 HB2 LEU 23 1HB LEU 23 -1.825 0.460 -0.138
166 HB3 LEU 23 2HB LEU 23 -1.127 1.198 -1.580
167 HG LEU 23 HG LEU 23 0.876 -0.151 -1.392
168 HD11 LEU 23 1HD1 LEU 23 0.849 -0.440 1.156
169 HD12 LEU 23 2HD1 LEU 23 1.206 -1.871 0.218
170 HD13 LEU 23 3HD1 LEU 23 -0.420 -1.651 0.919
171 HD21 LEU 23 3HD2 LEU 23 -0.128 -2.349 -1.883
172 HD22 LEU 23 1HD2 LEU 23 -1.028 -1.033 -2.656
173 HD23 LEU 23 2HD2 LEU 23 -1.671 -1.803 -1.187
174 H ARG 24 H ARG 24 0.696 3.190 -1.775
175 HA ARG 24 HA ARG 24 3.397 2.330 -1.889
176 HB2 ARG 24 1HB ARG 24 1.997 4.891 -2.735
177 HB3 ARG 24 2HB ARG 24 3.729 4.682 -2.983
178 HG2 ARG 24 1HG ARG 24 3.453 2.795 -4.422
179 HG3 ARG 24 2HG ARG 24 1.737 2.639 -4.043
180 HD2 ARG 24 1HD ARG 24 1.290 4.843 -5.076
181 HD3 ARG 24 2HD ARG 24 2.997 5.028 -5.470
182 HE ARG 24 HE ARG 24 1.003 3.315 -6.799
183 HH11 ARG 24 2HH1 ARG 24 4.446 3.939 -6.545
184 HH12 ARG 24 1HH1 ARG 24 4.786 3.150 -8.060
185 HH21 ARG 24 2HH2 ARG 24 1.515 2.329 -8.715
186 HH22 ARG 24 1HH2 ARG 24 3.169 2.265 -9.248
187 H SER 25 H SER 25 2.138 5.295 -0.354
188 HA SER 25 HA SER 25 4.587 6.102 0.841
189 HB2 SER 25 1HB SER 25 1.667 6.645 1.422
190 HB3 SER 25 2HB SER 25 2.978 7.421 2.358
191 HG SER 25 HG SER 25 2.307 8.684 0.543
192 H HIS 26 H HIS 26 2.036 3.908 2.166
193 HA HIS 26 HA HIS 26 3.204 3.526 4.745
194 HB2 HIS 26 1HB HIS 26 1.080 2.609 4.505
195 HB3 HIS 26 2HB HIS 26 1.421 1.888 2.948
196 HD1 HIS 26 1HD HIS 26 1.902 1.146 6.662
197 HD2 HIS 26 2HD HIS 26 2.615 -0.533 2.872
198 HE1 HIS 26 1HE HIS 26 2.431 -1.303 7.076
199 H ILE 27 H ILE 27 3.924 1.832 1.619
200 HA ILE 27 HA ILE 27 5.824 0.054 2.817
201 HB ILE 27 HB ILE 27 5.722 1.002 -0.070
202 HG12 ILE 27 1HG1 ILE 27 4.609 -1.597 1.084
203 HG13 ILE 27 2HG1 ILE 27 3.619 -0.179 0.839
204 HG21 ILE 27 1HG2 ILE 27 7.012 -1.485 1.139
205 HG22 ILE 27 2HG2 ILE 27 7.031 -1.017 -0.569
206 HG23 ILE 27 3HG2 ILE 27 7.909 -0.038 0.597
207 HD11 ILE 27 3HD1 ILE 27 3.314 -1.644 -1.036
208 HD12 ILE 27 1HD1 ILE 27 4.163 -0.185 -1.587
209 HD13 ILE 27 2HD1 ILE 27 5.051 -1.714 -1.349
210 H ARG 28 H ARG 28 6.269 3.329 1.413
211 HA ARG 28 HA ARG 28 9.156 3.266 1.759
212 HB2 ARG 28 1HB ARG 28 7.480 5.782 1.744
213 HB3 ARG 28 2HB ARG 28 9.174 5.588 1.305
214 HG2 ARG 28 1HG ARG 28 6.718 4.782 -0.246
215 HG3 ARG 28 2HG ARG 28 7.956 5.925 -0.717
216 HD2 ARG 28 1HD ARG 28 8.279 2.898 -0.518
217 HD3 ARG 28 2HD ARG 28 7.992 3.798 -1.994
218 HE ARG 28 HE ARG 28 10.521 3.573 -0.506
219 HH11 ARG 28 2HH1 ARG 28 8.933 5.437 -3.061
220 HH12 ARG 28 1HH1 ARG 28 10.481 5.841 -3.765
221 HH21 ARG 28 2HH2 ARG 28 12.324 4.115 -1.482
222 HH22 ARG 28 1HH2 ARG 28 12.313 5.031 -2.991
223 H GLU 29 H GLU 29 6.553 4.457 3.879
224 HA GLU 29 HA GLU 29 8.405 5.506 5.864
225 HB2 GLU 29 1HB GLU 29 5.413 4.968 5.879
226 HB3 GLU 29 2HB GLU 29 6.267 5.692 7.237
227 HG2 GLU 29 1HG GLU 29 6.235 6.890 4.433
228 HG3 GLU 29 2HG GLU 29 5.121 7.327 5.721
229 H VAL 30 H VAL 30 6.644 2.428 5.576
230 HA VAL 30 HA VAL 30 7.550 1.637 8.298
231 HB VAL 30 HB VAL 30 5.390 0.395 6.558
232 HG11 VAL 30 1HG1 VAL 30 4.587 -0.572 8.703
233 HG12 VAL 30 2HG1 VAL 30 6.179 -1.179 8.254
234 HG13 VAL 30 3HG1 VAL 30 6.032 0.066 9.518
235 HG21 VAL 30 3HG2 VAL 30 3.809 1.561 8.123
236 HG22 VAL 30 1HG2 VAL 30 5.190 2.429 8.827
237 HG23 VAL 30 2HG2 VAL 30 4.731 2.690 7.131
238 H HIS 31 H HIS 31 7.862 0.580 4.930
239 HA HIS 31 HA HIS 31 9.508 -1.747 5.875
240 HB2 HIS 31 1HB HIS 31 8.150 -1.357 3.200
241 HB3 HIS 31 2HB HIS 31 9.038 -2.773 3.741
242 HD1 HIS 31 1HD HIS 31 7.785 -3.515 6.441
243 HD2 HIS 31 2HD HIS 31 5.656 -2.050 3.137
244 HE1 HIS 31 1HE HIS 31 5.400 -4.319 6.742
245 H GLY 32 H GLY 32 9.759 1.301 4.285
246 HA2 GLY 32 1HA GLY 32 11.567 2.477 3.576
247 HA3 GLY 32 2HA GLY 32 12.574 1.330 4.468
248 H ALA 33 H ALA 33 10.546 0.644 1.594
249 HA ALA 33 HA ALA 33 12.462 -0.762 0.144
250 HB1 ALA 33 1HB ALA 33 10.909 -0.434 -1.761
251 HB2 ALA 33 2HB ALA 33 10.059 -0.900 -0.278
252 HB3 ALA 33 3HB ALA 33 10.027 0.794 -0.830
253 H ALA 34 H ALA 34 14.110 -0.235 -0.940
254 HA ALA 34 HA ALA 34 14.923 2.561 -1.435
255 HB1 ALA 34 1HB ALA 34 17.138 1.607 -1.803
256 HB2 ALA 34 2HB ALA 34 16.452 1.089 -0.250
257 HB3 ALA 34 3HB ALA 34 16.482 -0.038 -1.629
258 H GLN 35 H GLN 35 13.664 3.149 -3.091
259 HA GLN 35 HA GLN 35 14.499 2.435 -5.813
260 HB2 GLN 35 1HB GLN 35 12.216 2.058 -6.625
261 HB3 GLN 35 2HB GLN 35 12.731 0.829 -5.473
262 HG2 GLN 35 1HG GLN 35 11.402 1.961 -3.681
263 HG3 GLN 35 2HG GLN 35 10.862 3.160 -4.859
264 HE21 GLN 35 1HE2 GLN 35 8.870 1.858 -3.566
265 HE22 GLN 35 2HE2 GLN 35 8.144 0.654 -4.622
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -15.839 3.169 -11.757
2 H2 GLY 1 2H GLY 1 -16.901 2.866 -12.968
3 H3 GLY 1 3H GLY 1 -15.760 1.756 -12.580
4 HA2 GLY 1 1HA GLY 1 -17.996 2.596 -10.849
5 HA3 GLY 1 2HA GLY 1 -17.901 1.063 -11.734
6 H SER 2 H SER 2 -18.268 0.253 -9.484
7 HA SER 2 HA SER 2 -16.015 0.322 -7.602
8 HB2 SER 2 1HB SER 2 -18.445 0.288 -6.939
9 HB3 SER 2 2HB SER 2 -18.511 -1.399 -7.490
10 HG SER 2 HG SER 2 -18.051 -1.177 -5.226
11 H SER 3 H SER 3 -15.084 -1.674 -6.730
12 HA SER 3 HA SER 3 -14.693 -3.891 -8.693
13 HB2 SER 3 1HB SER 3 -12.467 -2.381 -7.272
14 HB3 SER 3 2HB SER 3 -12.266 -3.875 -8.208
15 HG SER 3 HG SER 3 -11.801 -1.990 -9.446
16 H GLY 4 H GLY 4 -14.380 -5.895 -7.816
17 HA2 GLY 4 1HA GLY 4 -15.603 -6.438 -5.357
18 HA3 GLY 4 2HA GLY 4 -14.668 -7.590 -6.310
19 H SER 5 H SER 5 -12.172 -5.835 -5.880
20 HA SER 5 HA SER 5 -11.195 -7.022 -3.437
21 HB2 SER 5 1HB SER 5 -9.998 -4.764 -5.083
22 HB3 SER 5 2HB SER 5 -9.156 -5.774 -3.894
23 HG SER 5 HG SER 5 -8.816 -6.509 -6.048
24 H SER 6 H SER 6 -12.922 -4.082 -4.016
25 HA SER 6 HA SER 6 -13.311 -2.180 -2.888
26 HB2 SER 6 1HB SER 6 -14.328 -2.507 -0.717
27 HB3 SER 6 2HB SER 6 -14.791 -3.757 -1.876
28 HG SER 6 HG SER 6 -14.328 -4.695 0.109
29 H GLY 7 H GLY 7 -10.461 -2.556 -3.081
30 HA2 GLY 7 1HA GLY 7 -9.315 -0.388 -1.932
31 HA3 GLY 7 2HA GLY 7 -9.260 -1.544 -0.601
32 H TYR 8 H TYR 8 -6.952 -1.083 -0.895
33 HA TYR 8 HA TYR 8 -5.598 -2.918 -2.846
34 HB2 TYR 8 1HB TYR 8 -4.595 -0.236 -1.807
35 HB3 TYR 8 2HB TYR 8 -3.771 -1.300 -2.938
36 HD1 TYR 8 2HD TYR 8 -6.713 0.950 -2.514
37 HD2 TYR 8 1HD TYR 8 -4.285 -1.287 -5.294
38 HE1 TYR 8 2HE TYR 8 -7.846 2.086 -4.407
39 HE2 TYR 8 1HE TYR 8 -5.406 -0.125 -7.195
40 HH TYR 8 HH TYR 8 -7.985 2.315 -6.689
41 H VAL 9 H VAL 9 -3.613 -3.961 -2.002
42 HA VAL 9 HA VAL 9 -3.454 -3.958 0.973
43 HB VAL 9 HB VAL 9 -3.454 -6.472 -0.720
44 HG11 VAL 9 1HG1 VAL 9 -3.754 -6.022 2.286
45 HG12 VAL 9 2HG1 VAL 9 -3.759 -7.592 1.459
46 HG13 VAL 9 3HG1 VAL 9 -2.288 -6.618 1.498
47 HG21 VAL 9 3HG2 VAL 9 -5.706 -5.309 0.968
48 HG22 VAL 9 1HG2 VAL 9 -5.735 -5.538 -0.798
49 HG23 VAL 9 2HG2 VAL 9 -5.690 -6.941 0.268
50 H CYS 10 H CYS 10 -1.534 -4.261 1.904
51 HA CYS 10 HA CYS 10 0.938 -3.821 0.541
52 HB2 CYS 10 1HB CYS 10 0.399 -3.298 2.906
53 HB3 CYS 10 2HB CYS 10 0.419 -5.034 3.266
54 H ALA 11 H ALA 11 2.440 -5.127 -0.277
55 HA ALA 11 HA ALA 11 1.820 -7.995 -0.628
56 HB1 ALA 11 1HB ALA 11 4.016 -6.250 -1.815
57 HB2 ALA 11 2HB ALA 11 3.673 -7.940 -2.242
58 HB3 ALA 11 3HB ALA 11 2.474 -6.679 -2.583
59 H LEU 12 H LEU 12 3.465 -6.139 1.691
60 HA LEU 12 HA LEU 12 5.463 -8.283 2.223
61 HB2 LEU 12 1HB LEU 12 5.775 -5.892 3.831
62 HB3 LEU 12 2HB LEU 12 6.919 -6.868 2.985
63 HG LEU 12 HG LEU 12 5.414 -4.435 2.081
64 HD11 LEU 12 1HD1 LEU 12 7.637 -4.447 3.314
65 HD12 LEU 12 2HD1 LEU 12 7.611 -3.537 1.783
66 HD13 LEU 12 3HD1 LEU 12 8.359 -5.148 1.867
67 HD21 LEU 12 3HD2 LEU 12 6.936 -6.207 0.153
68 HD22 LEU 12 1HD2 LEU 12 6.577 -4.471 -0.107
69 HD23 LEU 12 2HD2 LEU 12 5.258 -5.615 0.017
70 H CYS 13 H CYS 13 3.230 -6.174 3.955
71 HA CYS 13 HA CYS 13 3.059 -8.150 6.186
72 HB2 CYS 13 1HB CYS 13 2.568 -6.459 7.724
73 HB3 CYS 13 2HB CYS 13 4.040 -6.069 6.856
74 H LEU 14 H LEU 14 1.222 -7.390 3.603
75 HA LEU 14 HA LEU 14 -0.872 -7.836 2.947
76 HB2 LEU 14 1HB LEU 14 -1.079 -9.713 5.289
77 HB3 LEU 14 2HB LEU 14 -1.923 -9.797 3.748
78 HG LEU 14 HG LEU 14 1.051 -10.266 4.226
79 HD11 LEU 14 1HD1 LEU 14 -0.463 -12.090 4.905
80 HD12 LEU 14 2HD1 LEU 14 0.535 -12.545 3.515
81 HD13 LEU 14 3HD1 LEU 14 -1.173 -12.111 3.275
82 HD21 LEU 14 3HD2 LEU 14 -0.494 -10.270 1.597
83 HD22 LEU 14 1HD2 LEU 14 1.135 -10.949 1.820
84 HD23 LEU 14 2HD2 LEU 14 0.873 -9.221 2.033
85 H LYS 15 H LYS 15 -0.620 -5.632 4.991
86 HA LYS 15 HA LYS 15 -3.267 -5.307 6.163
87 HB2 LYS 15 1HB LYS 15 -1.231 -4.172 7.047
88 HB3 LYS 15 2HB LYS 15 -1.061 -3.346 5.477
89 HG2 LYS 15 1HG LYS 15 -3.130 -2.145 5.837
90 HG3 LYS 15 2HG LYS 15 -3.498 -3.087 7.300
91 HD2 LYS 15 1HD LYS 15 -1.546 -2.060 8.419
92 HD3 LYS 15 2HD LYS 15 -1.175 -1.138 6.958
93 HE2 LYS 15 1HE LYS 15 -3.730 -0.968 8.625
94 HE3 LYS 15 2HE LYS 15 -2.409 0.201 8.612
95 HZ1 LYS 15 3HZ LYS 15 -2.934 0.634 6.246
96 HZ2 LYS 15 1HZ LYS 15 -4.229 0.945 7.193
97 HZ3 LYS 15 2HZ LYS 15 -4.186 -0.413 6.286
98 H LYS 16 H LYS 16 -5.031 -4.187 5.394
99 HA LYS 16 HA LYS 16 -5.126 -3.466 2.537
100 HB2 LYS 16 1HB LYS 16 -6.822 -4.929 3.667
101 HB3 LYS 16 2HB LYS 16 -7.402 -3.509 4.549
102 HG2 LYS 16 1HG LYS 16 -8.074 -2.431 2.452
103 HG3 LYS 16 2HG LYS 16 -7.272 -3.694 1.502
104 HD2 LYS 16 1HD LYS 16 -8.846 -5.382 2.518
105 HD3 LYS 16 2HD LYS 16 -9.711 -4.033 3.294
106 HE2 LYS 16 1HE LYS 16 -10.111 -3.030 1.044
107 HE3 LYS 16 2HE LYS 16 -9.236 -4.378 0.295
108 HZ1 LYS 16 3HZ LYS 16 -11.760 -4.624 1.845
109 HZ2 LYS 16 1HZ LYS 16 -10.940 -5.880 1.182
110 HZ3 LYS 16 2HZ LYS 16 -11.624 -4.751 0.225
111 H PHE 17 H PHE 17 -5.884 -1.572 1.708
112 HA PHE 17 HA PHE 17 -5.783 0.939 3.306
113 HB2 PHE 17 1HB PHE 17 -4.212 0.241 0.785
114 HB3 PHE 17 2HB PHE 17 -4.391 1.875 1.401
115 HD1 PHE 17 1HD PHE 17 -2.800 -1.402 1.976
116 HD2 PHE 17 2HD PHE 17 -3.297 2.623 3.451
117 HE1 PHE 17 1HE PHE 17 -0.962 -1.761 3.600
118 HE2 PHE 17 2HE PHE 17 -1.415 2.276 5.036
119 HZ PHE 17 HZ PHE 17 -0.300 0.054 5.149
120 H VAL 18 H VAL 18 -6.768 2.715 2.388
121 HA VAL 18 HA VAL 18 -9.112 2.279 0.768
122 HB VAL 18 HB VAL 18 -9.010 3.830 2.647
123 HG11 VAL 18 1HG1 VAL 18 -7.936 6.023 2.506
124 HG12 VAL 18 2HG1 VAL 18 -6.719 4.755 2.396
125 HG13 VAL 18 3HG1 VAL 18 -7.238 5.625 0.932
126 HG21 VAL 18 3HG2 VAL 18 -10.243 5.672 1.726
127 HG22 VAL 18 1HG2 VAL 18 -9.595 5.384 0.103
128 HG23 VAL 18 2HG2 VAL 18 -10.693 4.197 0.852
129 H SER 19 H SER 19 -5.858 3.268 -0.052
130 HA SER 19 HA SER 19 -6.567 3.598 -2.908
131 HB2 SER 19 1HB SER 19 -6.861 5.832 -2.110
132 HB3 SER 19 2HB SER 19 -5.368 5.766 -1.166
133 HG SER 19 HG SER 19 -5.306 6.885 -3.282
134 H SER 20 H SER 20 -4.807 3.415 -4.329
135 HA SER 20 HA SER 20 -2.601 1.743 -3.585
136 HB2 SER 20 1HB SER 20 -1.765 2.287 -5.855
137 HB3 SER 20 2HB SER 20 -3.455 1.758 -5.845
138 HG SER 20 HG SER 20 -3.165 3.611 -7.159
139 H ILE 21 H ILE 21 -2.991 5.278 -3.725
140 HA ILE 21 HA ILE 21 -0.179 5.920 -3.496
141 HB ILE 21 HB ILE 21 -2.608 7.557 -2.675
142 HG12 ILE 21 1HG1 ILE 21 -2.882 7.009 -5.002
143 HG13 ILE 21 2HG1 ILE 21 -2.398 8.684 -4.860
144 HG21 ILE 21 1HG2 ILE 21 -0.623 8.502 -1.683
145 HG22 ILE 21 2HG2 ILE 21 0.281 8.361 -3.203
146 HG23 ILE 21 3HG2 ILE 21 -1.071 9.508 -3.059
147 HD11 ILE 21 3HD1 ILE 21 -0.061 8.054 -5.522
148 HD12 ILE 21 1HD1 ILE 21 -0.606 6.367 -5.716
149 HD13 ILE 21 2HD1 ILE 21 -1.272 7.642 -6.747
150 H ARG 22 H ARG 22 -2.748 5.432 -1.091
151 HA ARG 22 HA ARG 22 -1.182 6.050 1.270
152 HB2 ARG 22 1HB ARG 22 -3.616 4.241 0.922
153 HB3 ARG 22 2HB ARG 22 -2.993 4.802 2.462
154 HG2 ARG 22 1HG ARG 22 -3.968 6.708 0.286
155 HG3 ARG 22 2HG ARG 22 -5.026 6.018 1.500
156 HD2 ARG 22 1HD ARG 22 -2.599 7.695 2.128
157 HD3 ARG 22 2HD ARG 22 -4.227 8.333 1.992
158 HE ARG 22 HE ARG 22 -3.118 6.664 4.172
159 HH11 ARG 22 2HH1 ARG 22 -6.026 8.181 2.928
160 HH12 ARG 22 1HH1 ARG 22 -6.854 8.037 4.453
161 HH21 ARG 22 2HH2 ARG 22 -4.244 6.503 6.075
162 HH22 ARG 22 1HH2 ARG 22 -5.872 7.105 6.176
163 H LEU 23 H LEU 23 -1.798 3.047 -0.508
164 HA LEU 23 HA LEU 23 -0.267 1.276 1.147
165 HB2 LEU 23 1HB LEU 23 -1.883 0.358 -0.309
166 HB3 LEU 23 2HB LEU 23 -1.310 1.279 -1.693
167 HG LEU 23 HG LEU 23 0.718 -0.075 -1.848
168 HD11 LEU 23 1HD1 LEU 23 0.964 -0.717 0.573
169 HD12 LEU 23 2HD1 LEU 23 1.020 -2.075 -0.542
170 HD13 LEU 23 3HD1 LEU 23 -0.461 -1.748 0.406
171 HD21 LEU 23 3HD2 LEU 23 -0.337 -2.163 -2.573
172 HD22 LEU 23 1HD2 LEU 23 -1.310 -0.764 -3.060
173 HD23 LEU 23 2HD2 LEU 23 -1.805 -1.755 -1.664
174 H ARG 24 H ARG 24 0.634 3.077 -1.869
175 HA ARG 24 HA ARG 24 3.297 2.128 -2.053
176 HB2 ARG 24 1HB ARG 24 1.966 4.733 -2.882
177 HB3 ARG 24 2HB ARG 24 3.676 4.445 -3.198
178 HG2 ARG 24 1HG ARG 24 3.262 2.562 -4.603
179 HG3 ARG 24 2HG ARG 24 1.573 2.446 -4.113
180 HD2 ARG 24 1HD ARG 24 1.131 4.670 -5.153
181 HD3 ARG 24 2HD ARG 24 2.818 4.723 -5.707
182 HE ARG 24 HE ARG 24 1.658 2.283 -6.599
183 HH11 ARG 24 2HH1 ARG 24 1.357 5.697 -7.324
184 HH12 ARG 24 1HH1 ARG 24 0.772 5.395 -8.938
185 HH21 ARG 24 2HH2 ARG 24 0.926 1.970 -8.674
186 HH22 ARG 24 1HH2 ARG 24 0.546 3.338 -9.678
187 H SER 25 H SER 25 2.193 5.150 -0.505
188 HA SER 25 HA SER 25 4.730 5.849 0.581
189 HB2 SER 25 1HB SER 25 1.872 6.605 1.234
190 HB3 SER 25 2HB SER 25 3.266 7.329 2.085
191 HG SER 25 HG SER 25 2.606 8.561 0.245
192 H HIS 26 H HIS 26 2.101 3.846 2.048
193 HA HIS 26 HA HIS 26 3.235 3.484 4.616
194 HB2 HIS 26 1HB HIS 26 1.125 2.532 4.315
195 HB3 HIS 26 2HB HIS 26 1.548 1.754 2.808
196 HD1 HIS 26 1HD HIS 26 1.906 1.179 6.574
197 HD2 HIS 26 2HD HIS 26 2.701 -0.666 2.876
198 HE1 HIS 26 1HE HIS 26 2.376 -1.258 7.103
199 H ILE 27 H ILE 27 4.023 1.707 1.550
200 HA ILE 27 HA ILE 27 5.938 0.017 2.850
201 HB ILE 27 HB ILE 27 5.931 0.804 -0.079
202 HG12 ILE 27 1HG1 ILE 27 4.777 -1.759 1.072
203 HG13 ILE 27 2HG1 ILE 27 3.773 -0.335 0.827
204 HG21 ILE 27 1HG2 ILE 27 7.196 -1.495 1.378
205 HG22 ILE 27 2HG2 ILE 27 7.246 -1.239 -0.380
206 HG23 ILE 27 3HG2 ILE 27 8.061 -0.106 0.697
207 HD11 ILE 27 3HD1 ILE 27 5.299 -1.801 -1.348
208 HD12 ILE 27 1HD1 ILE 27 3.544 -1.745 -1.103
209 HD13 ILE 27 2HD1 ILE 27 4.421 -0.269 -1.572
210 H ARG 28 H ARG 28 6.328 3.229 1.309
211 HA ARG 28 HA ARG 28 9.204 3.238 1.599
212 HB2 ARG 28 1HB ARG 28 7.464 5.710 1.579
213 HB3 ARG 28 2HB ARG 28 9.145 5.543 1.079
214 HG2 ARG 28 1HG ARG 28 6.656 4.607 -0.359
215 HG3 ARG 28 2HG ARG 28 7.830 5.802 -0.894
216 HD2 ARG 28 1HD ARG 28 9.513 3.951 -1.091
217 HD3 ARG 28 2HD ARG 28 8.219 2.788 -0.684
218 HE ARG 28 HE ARG 28 7.175 4.244 -2.784
219 HH11 ARG 28 2HH1 ARG 28 10.090 2.311 -2.471
220 HH12 ARG 28 1HH1 ARG 28 10.046 1.833 -4.153
221 HH21 ARG 28 2HH2 ARG 28 7.221 3.630 -4.918
222 HH22 ARG 28 1HH2 ARG 28 8.474 2.573 -5.490
223 H GLU 29 H GLU 29 6.632 4.420 3.784
224 HA GLU 29 HA GLU 29 8.657 5.505 5.620
225 HB2 GLU 29 1HB GLU 29 6.948 6.574 6.736
226 HB3 GLU 29 2HB GLU 29 6.526 6.661 5.022
227 HG2 GLU 29 1HG GLU 29 4.952 4.693 5.464
228 HG3 GLU 29 2HG GLU 29 5.290 4.929 7.180
229 H VAL 30 H VAL 30 6.568 2.664 5.595
230 HA VAL 30 HA VAL 30 7.413 1.961 8.357
231 HB VAL 30 HB VAL 30 5.342 0.546 6.643
232 HG11 VAL 30 1HG1 VAL 30 5.878 0.515 9.642
233 HG12 VAL 30 2HG1 VAL 30 4.507 -0.273 8.830
234 HG13 VAL 30 3HG1 VAL 30 6.146 -0.830 8.507
235 HG21 VAL 30 3HG2 VAL 30 3.679 1.776 8.122
236 HG22 VAL 30 1HG2 VAL 30 5.018 2.816 8.655
237 HG23 VAL 30 2HG2 VAL 30 4.514 2.790 6.950
238 H HIS 31 H HIS 31 7.762 0.721 5.037
239 HA HIS 31 HA HIS 31 9.393 -1.549 6.123
240 HB2 HIS 31 1HB HIS 31 8.077 -1.241 3.419
241 HB3 HIS 31 2HB HIS 31 9.001 -2.621 3.971
242 HD1 HIS 31 1HD HIS 31 7.786 -3.550 6.560
243 HD2 HIS 31 2HD HIS 31 5.605 -1.967 3.348
244 HE1 HIS 31 1HE HIS 31 5.464 -4.552 6.731
245 H GLY 32 H GLY 32 9.714 1.440 4.409
246 HA2 GLY 32 1HA GLY 32 11.590 2.585 3.829
247 HA3 GLY 32 2HA GLY 32 12.562 1.343 4.624
248 H ALA 33 H ALA 33 10.484 0.514 1.872
249 HA ALA 33 HA ALA 33 12.765 -0.423 0.344
250 HB1 ALA 33 1HB ALA 33 9.878 -0.104 -0.542
251 HB2 ALA 33 2HB ALA 33 11.119 -1.122 -1.284
252 HB3 ALA 33 3HB ALA 33 10.519 -1.515 0.339
253 H ALA 34 H ALA 34 14.146 1.119 -0.351
254 HA ALA 34 HA ALA 34 13.143 3.300 -2.135
255 HB1 ALA 34 1HB ALA 34 13.625 4.109 0.155
256 HB2 ALA 34 2HB ALA 34 15.287 3.489 0.020
257 HB3 ALA 34 3HB ALA 34 14.734 4.808 -1.038
258 H GLN 35 H GLN 35 14.651 0.558 -2.497
259 HA GLN 35 HA GLN 35 17.178 1.285 -3.779
260 HB2 GLN 35 1HB GLN 35 15.619 -1.330 -3.687
261 HB3 GLN 35 2HB GLN 35 17.213 -1.121 -4.422
262 HG2 GLN 35 1HG GLN 35 18.137 -0.397 -2.224
263 HG3 GLN 35 2HG GLN 35 16.564 -0.663 -1.475
264 HE21 GLN 35 1HE2 GLN 35 18.407 -2.036 -0.202
265 HE22 GLN 35 2HE2 GLN 35 18.440 -3.724 -0.698
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 -25.332 -3.973 2.765
2 H2 GLY 1 2H GLY 1 -26.068 -4.604 4.087
3 H3 GLY 1 3H GLY 1 -24.473 -4.883 3.821
4 HA2 GLY 1 1HA GLY 1 -25.663 -2.235 4.382
5 HA3 GLY 1 2HA GLY 1 -24.785 -3.223 5.565
6 H SER 2 H SER 2 -22.810 -2.352 5.897
7 HA SER 2 HA SER 2 -21.242 -1.005 3.831
8 HB2 SER 2 1HB SER 2 -19.568 -0.827 5.703
9 HB3 SER 2 2HB SER 2 -21.146 -0.091 6.007
10 HG SER 2 HG SER 2 -20.392 -1.348 7.793
11 H SER 3 H SER 3 -21.821 -3.428 2.862
12 HA SER 3 HA SER 3 -19.942 -5.516 3.557
13 HB2 SER 3 1HB SER 3 -21.924 -5.387 1.260
14 HB3 SER 3 2HB SER 3 -21.224 -6.843 1.990
15 HG SER 3 HG SER 3 -22.367 -6.429 3.875
16 H GLY 4 H GLY 4 -19.785 -2.966 1.228
17 HA2 GLY 4 1HA GLY 4 -18.020 -4.273 -0.701
18 HA3 GLY 4 2HA GLY 4 -18.394 -2.555 -0.598
19 H SER 5 H SER 5 -15.860 -3.310 -1.201
20 HA SER 5 HA SER 5 -14.334 -2.172 1.055
21 HB2 SER 5 1HB SER 5 -14.144 -4.556 1.514
22 HB3 SER 5 2HB SER 5 -13.617 -4.872 -0.144
23 HG SER 5 HG SER 5 -12.276 -3.285 1.815
24 H SER 6 H SER 6 -13.508 -3.795 -2.047
25 HA SER 6 HA SER 6 -12.150 -3.220 -3.746
26 HB2 SER 6 1HB SER 6 -13.448 -0.497 -3.474
27 HB3 SER 6 2HB SER 6 -12.645 -1.149 -4.914
28 HG SER 6 HG SER 6 -14.924 -1.423 -4.996
29 H GLY 7 H GLY 7 -10.964 -2.741 -1.016
30 HA2 GLY 7 1HA GLY 7 -9.118 -0.512 -1.262
31 HA3 GLY 7 2HA GLY 7 -9.099 -1.763 -0.032
32 H TYR 8 H TYR 8 -6.777 -0.881 -0.826
33 HA TYR 8 HA TYR 8 -5.563 -2.874 -2.714
34 HB2 TYR 8 1HB TYR 8 -4.558 -0.135 -1.855
35 HB3 TYR 8 2HB TYR 8 -3.735 -1.248 -2.933
36 HD1 TYR 8 2HD TYR 8 -6.812 0.863 -2.615
37 HD2 TYR 8 1HD TYR 8 -4.193 -1.319 -5.263
38 HE1 TYR 8 2HE TYR 8 -7.962 1.870 -4.576
39 HE2 TYR 8 1HE TYR 8 -5.339 -0.296 -7.227
40 HH TYR 8 HH TYR 8 -8.062 2.007 -6.864
41 H VAL 9 H VAL 9 -3.710 -4.060 -1.953
42 HA VAL 9 HA VAL 9 -3.339 -3.938 1.013
43 HB VAL 9 HB VAL 9 -3.589 -6.468 -0.631
44 HG11 VAL 9 1HG1 VAL 9 -3.775 -7.529 1.641
45 HG12 VAL 9 2HG1 VAL 9 -2.199 -6.806 1.340
46 HG13 VAL 9 3HG1 VAL 9 -3.363 -5.963 2.374
47 HG21 VAL 9 3HG2 VAL 9 -5.737 -6.789 0.584
48 HG22 VAL 9 1HG2 VAL 9 -5.582 -5.161 1.272
49 HG23 VAL 9 2HG2 VAL 9 -5.797 -5.385 -0.478
50 H CYS 10 H CYS 10 -1.428 -4.257 1.898
51 HA CYS 10 HA CYS 10 1.010 -3.883 0.502
52 HB2 CYS 10 1HB CYS 10 0.454 -3.316 2.851
53 HB3 CYS 10 2HB CYS 10 0.482 -5.042 3.248
54 H ALA 11 H ALA 11 2.456 -5.186 -0.403
55 HA ALA 11 HA ALA 11 1.888 -8.059 -0.694
56 HB1 ALA 11 1HB ALA 11 3.740 -8.001 -2.301
57 HB2 ALA 11 2HB ALA 11 2.574 -6.708 -2.635
58 HB3 ALA 11 3HB ALA 11 4.119 -6.330 -1.840
59 H LEU 12 H LEU 12 3.414 -6.247 1.665
60 HA LEU 12 HA LEU 12 5.531 -8.274 2.247
61 HB2 LEU 12 1HB LEU 12 5.324 -5.399 3.203
62 HB3 LEU 12 2HB LEU 12 6.627 -6.533 3.472
63 HG LEU 12 HG LEU 12 6.947 -6.533 0.887
64 HD11 LEU 12 1HD1 LEU 12 5.320 -3.961 1.211
65 HD12 LEU 12 2HD1 LEU 12 4.941 -5.304 0.125
66 HD13 LEU 12 3HD1 LEU 12 6.367 -4.327 -0.174
67 HD21 LEU 12 3HD2 LEU 12 8.434 -5.478 2.561
68 HD22 LEU 12 1HD2 LEU 12 7.396 -4.040 2.532
69 HD23 LEU 12 2HD2 LEU 12 8.328 -4.495 1.087
70 H CYS 13 H CYS 13 3.242 -6.146 3.940
71 HA CYS 13 HA CYS 13 3.081 -8.122 6.172
72 HB2 CYS 13 1HB CYS 13 2.588 -6.436 7.713
73 HB3 CYS 13 2HB CYS 13 4.062 -6.042 6.849
74 H LEU 14 H LEU 14 1.233 -7.314 3.587
75 HA LEU 14 HA LEU 14 -0.894 -7.678 2.951
76 HB2 LEU 14 1HB LEU 14 -0.515 -9.824 5.022
77 HB3 LEU 14 2HB LEU 14 -1.998 -9.689 4.092
78 HG LEU 14 HG LEU 14 -0.794 -9.906 1.976
79 HD11 LEU 14 1HD1 LEU 14 1.555 -10.798 1.983
80 HD12 LEU 14 2HD1 LEU 14 1.693 -10.323 3.691
81 HD13 LEU 14 3HD1 LEU 14 1.451 -9.101 2.416
82 HD21 LEU 14 3HD2 LEU 14 -1.715 -11.875 3.146
83 HD22 LEU 14 1HD2 LEU 14 -0.161 -12.109 3.980
84 HD23 LEU 14 2HD2 LEU 14 -0.268 -12.290 2.213
85 H LYS 15 H LYS 15 -0.610 -5.540 4.850
86 HA LYS 15 HA LYS 15 -3.239 -5.243 6.136
87 HB2 LYS 15 1HB LYS 15 -1.092 -4.323 7.040
88 HB3 LYS 15 2HB LYS 15 -0.992 -3.297 5.592
89 HG2 LYS 15 1HG LYS 15 -2.942 -2.032 6.258
90 HG3 LYS 15 2HG LYS 15 -3.357 -3.209 7.520
91 HD2 LYS 15 1HD LYS 15 -1.379 -2.591 8.817
92 HD3 LYS 15 2HD LYS 15 -0.843 -1.482 7.541
93 HE2 LYS 15 1HE LYS 15 -2.899 -0.133 7.824
94 HE3 LYS 15 2HE LYS 15 -3.489 -1.261 9.049
95 HZ1 LYS 15 3HZ LYS 15 -2.453 0.675 10.073
96 HZ2 LYS 15 1HZ LYS 15 -1.033 0.395 9.316
97 HZ3 LYS 15 2HZ LYS 15 -1.587 -0.655 10.443
98 H LYS 16 H LYS 16 -4.936 -3.995 5.411
99 HA LYS 16 HA LYS 16 -4.957 -3.235 2.551
100 HB2 LYS 16 1HB LYS 16 -6.678 -4.760 3.436
101 HB3 LYS 16 2HB LYS 16 -7.247 -3.493 4.530
102 HG2 LYS 16 1HG LYS 16 -7.901 -2.081 2.648
103 HG3 LYS 16 2HG LYS 16 -7.204 -3.216 1.484
104 HD2 LYS 16 1HD LYS 16 -9.480 -3.916 3.389
105 HD3 LYS 16 2HD LYS 16 -9.721 -3.255 1.767
106 HE2 LYS 16 1HE LYS 16 -8.526 -5.168 0.766
107 HE3 LYS 16 2HE LYS 16 -8.261 -5.865 2.371
108 HZ1 LYS 16 3HZ LYS 16 -10.234 -6.794 1.211
109 HZ2 LYS 16 1HZ LYS 16 -10.954 -5.318 1.232
110 HZ3 LYS 16 2HZ LYS 16 -10.643 -6.097 2.630
111 H PHE 17 H PHE 17 -5.512 -1.329 1.732
112 HA PHE 17 HA PHE 17 -5.687 1.110 3.432
113 HB2 PHE 17 1HB PHE 17 -3.901 0.601 1.014
114 HB3 PHE 17 2HB PHE 17 -4.141 2.173 1.764
115 HD1 PHE 17 2HD PHE 17 -3.371 2.628 4.081
116 HD2 PHE 17 1HD PHE 17 -2.460 -1.080 2.069
117 HE1 PHE 17 2HE PHE 17 -1.708 2.077 5.845
118 HE2 PHE 17 1HE PHE 17 -0.791 -1.617 3.822
119 HZ PHE 17 HZ PHE 17 -0.456 -0.067 5.732
120 H VAL 18 H VAL 18 -6.593 2.938 2.428
121 HA VAL 18 HA VAL 18 -8.925 2.405 0.858
122 HB VAL 18 HB VAL 18 -8.803 4.087 2.614
123 HG11 VAL 18 1HG1 VAL 18 -7.765 6.281 2.275
124 HG12 VAL 18 2HG1 VAL 18 -6.551 5.003 2.259
125 HG13 VAL 18 3HG1 VAL 18 -7.072 5.754 0.733
126 HG21 VAL 18 3HG2 VAL 18 -10.098 5.832 1.591
127 HG22 VAL 18 1HG2 VAL 18 -9.488 5.430 -0.022
128 HG23 VAL 18 2HG2 VAL 18 -10.536 4.285 0.847
129 H SER 19 H SER 19 -5.708 3.462 -0.133
130 HA SER 19 HA SER 19 -6.568 3.338 -2.954
131 HB2 SER 19 1HB SER 19 -5.971 5.451 -3.593
132 HB3 SER 19 2HB SER 19 -6.672 5.783 -2.000
133 HG SER 19 HG SER 19 -4.734 6.855 -2.219
134 H SER 20 H SER 20 -4.779 3.306 -4.488
135 HA SER 20 HA SER 20 -2.552 1.664 -3.761
136 HB2 SER 20 1HB SER 20 -1.731 2.256 -6.032
137 HB3 SER 20 2HB SER 20 -3.409 1.689 -6.016
138 HG SER 20 HG SER 20 -3.160 3.573 -7.307
139 H ILE 21 H ILE 21 -2.993 5.182 -3.806
140 HA ILE 21 HA ILE 21 -0.172 5.849 -3.540
141 HB ILE 21 HB ILE 21 -2.714 7.422 -2.998
142 HG12 ILE 21 1HG1 ILE 21 -2.455 6.917 -5.357
143 HG13 ILE 21 2HG1 ILE 21 -2.210 8.624 -5.049
144 HG21 ILE 21 1HG2 ILE 21 -1.222 9.443 -3.009
145 HG22 ILE 21 2HG2 ILE 21 -1.090 8.408 -1.586
146 HG23 ILE 21 3HG2 ILE 21 0.168 8.341 -2.844
147 HD11 ILE 21 3HD1 ILE 21 -0.020 6.579 -5.624
148 HD12 ILE 21 1HD1 ILE 21 -0.615 7.846 -6.703
149 HD13 ILE 21 2HD1 ILE 21 0.268 8.293 -5.236
150 H ARG 22 H ARG 22 -2.859 5.442 -1.171
151 HA ARG 22 HA ARG 22 -1.167 6.025 1.123
152 HB2 ARG 22 1HB ARG 22 -3.705 4.347 1.059
153 HB3 ARG 22 2HB ARG 22 -2.942 5.053 2.480
154 HG2 ARG 22 1HG ARG 22 -4.461 6.442 0.272
155 HG3 ARG 22 2HG ARG 22 -4.807 6.409 1.992
156 HD2 ARG 22 1HD ARG 22 -2.568 7.894 0.611
157 HD3 ARG 22 2HD ARG 22 -4.047 8.597 1.226
158 HE ARG 22 HE ARG 22 -1.679 7.830 2.777
159 HH11 ARG 22 2HH1 ARG 22 -5.093 8.576 3.095
160 HH12 ARG 22 1HH1 ARG 22 -4.942 8.925 4.795
161 HH21 ARG 22 2HH2 ARG 22 -1.571 8.281 4.942
162 HH22 ARG 22 1HH2 ARG 22 -3.002 8.765 5.802
163 H LEU 23 H LEU 23 -1.890 3.030 -0.617
164 HA LEU 23 HA LEU 23 -0.421 1.244 1.081
165 HB2 LEU 23 1HB LEU 23 -1.986 0.334 -0.455
166 HB3 LEU 23 2HB LEU 23 -1.331 1.248 -1.810
167 HG LEU 23 HG LEU 23 0.696 -0.103 -1.838
168 HD11 LEU 23 1HD1 LEU 23 0.917 -2.104 -0.502
169 HD12 LEU 23 2HD1 LEU 23 -0.597 -1.751 0.376
170 HD13 LEU 23 3HD1 LEU 23 0.832 -0.727 0.587
171 HD21 LEU 23 3HD2 LEU 23 -0.286 -2.199 -2.611
172 HD22 LEU 23 1HD2 LEU 23 -1.273 -0.826 -3.144
173 HD23 LEU 23 2HD2 LEU 23 -1.799 -1.830 -1.767
174 H ARG 24 H ARG 24 0.587 3.025 -1.930
175 HA ARG 24 HA ARG 24 3.279 2.109 -1.910
176 HB2 ARG 24 1HB ARG 24 1.941 4.623 -2.958
177 HB3 ARG 24 2HB ARG 24 3.680 4.376 -3.140
178 HG2 ARG 24 1HG ARG 24 3.405 2.407 -4.470
179 HG3 ARG 24 2HG ARG 24 1.675 2.307 -4.124
180 HD2 ARG 24 1HD ARG 24 1.294 4.455 -5.278
181 HD3 ARG 24 2HD ARG 24 3.013 4.599 -5.635
182 HE ARG 24 HE ARG 24 1.033 2.872 -6.953
183 HH11 ARG 24 2HH1 ARG 24 4.484 3.376 -6.572
184 HH12 ARG 24 1HH1 ARG 24 4.859 2.493 -8.027
185 HH21 ARG 24 2HH2 ARG 24 1.589 1.767 -8.794
186 HH22 ARG 24 1HH2 ARG 24 3.261 1.616 -9.245
187 H SER 25 H SER 25 1.952 5.099 -0.506
188 HA SER 25 HA SER 25 4.344 6.057 0.672
189 HB2 SER 25 1HB SER 25 2.230 7.342 0.375
190 HB3 SER 25 2HB SER 25 1.479 6.391 1.670
191 HG SER 25 HG SER 25 2.369 8.430 2.376
192 H HIS 26 H HIS 26 1.914 3.782 2.053
193 HA HIS 26 HA HIS 26 3.037 3.491 4.652
194 HB2 HIS 26 1HB HIS 26 0.961 2.470 4.371
195 HB3 HIS 26 2HB HIS 26 1.384 1.723 2.850
196 HD1 HIS 26 1HD HIS 26 1.896 1.137 6.607
197 HD2 HIS 26 2HD HIS 26 2.544 -0.684 2.871
198 HE1 HIS 26 1HE HIS 26 2.439 -1.289 7.104
199 H ILE 27 H ILE 27 3.874 1.727 1.620
200 HA ILE 27 HA ILE 27 5.766 0.007 2.882
201 HB ILE 27 HB ILE 27 5.688 0.902 -0.026
202 HG12 ILE 27 1HG1 ILE 27 4.553 -1.659 1.203
203 HG13 ILE 27 2HG1 ILE 27 3.579 -0.249 0.854
204 HG21 ILE 27 1HG2 ILE 27 6.977 -1.565 1.221
205 HG22 ILE 27 2HG2 ILE 27 7.012 -1.107 -0.491
206 HG23 ILE 27 3HG2 ILE 27 7.870 -0.120 0.680
207 HD11 ILE 27 3HD1 ILE 27 4.185 -0.400 -1.554
208 HD12 ILE 27 1HD1 ILE 27 5.046 -1.922 -1.207
209 HD13 ILE 27 2HD1 ILE 27 3.304 -1.811 -0.938
210 H ARG 28 H ARG 28 6.188 3.277 1.501
211 HA ARG 28 HA ARG 28 9.085 3.232 1.916
212 HB2 ARG 28 1HB ARG 28 7.431 5.746 1.802
213 HB3 ARG 28 2HB ARG 28 9.115 5.499 1.344
214 HG2 ARG 28 1HG ARG 28 6.610 4.687 -0.137
215 HG3 ARG 28 2HG ARG 28 7.836 5.821 -0.667
216 HD2 ARG 28 1HD ARG 28 8.221 2.807 -0.383
217 HD3 ARG 28 2HD ARG 28 7.812 3.633 -1.869
218 HE ARG 28 HE ARG 28 10.419 3.773 -0.410
219 HH11 ARG 28 2HH1 ARG 28 8.681 4.681 -3.372
220 HH12 ARG 28 1HH1 ARG 28 10.231 4.852 -4.207
221 HH21 ARG 28 2HH2 ARG 28 12.208 4.085 -1.641
222 HH22 ARG 28 1HH2 ARG 28 12.006 4.597 -3.330
223 H GLU 29 H GLU 29 6.343 4.390 3.845
224 HA GLU 29 HA GLU 29 7.920 5.687 5.858
225 HB2 GLU 29 1HB GLU 29 5.059 4.674 5.767
226 HB3 GLU 29 2HB GLU 29 5.722 5.457 7.196
227 HG2 GLU 29 1HG GLU 29 5.717 6.779 4.450
228 HG3 GLU 29 2HG GLU 29 4.419 6.954 5.628
229 H VAL 30 H VAL 30 6.624 2.323 5.758
230 HA VAL 30 HA VAL 30 8.077 1.849 8.336
231 HB VAL 30 HB VAL 30 6.568 0.302 8.979
232 HG11 VAL 30 1HG1 VAL 30 4.858 2.458 7.686
233 HG12 VAL 30 2HG1 VAL 30 4.458 1.506 9.130
234 HG13 VAL 30 3HG1 VAL 30 5.799 2.668 9.183
235 HG21 VAL 30 3HG2 VAL 30 4.599 -0.492 7.772
236 HG22 VAL 30 1HG2 VAL 30 5.151 0.336 6.302
237 HG23 VAL 30 2HG2 VAL 30 6.089 -1.004 6.996
238 H HIS 31 H HIS 31 7.814 0.546 5.068
239 HA HIS 31 HA HIS 31 9.567 -1.743 5.898
240 HB2 HIS 31 1HB HIS 31 8.115 -1.353 3.278
241 HB3 HIS 31 2HB HIS 31 9.034 -2.756 3.783
242 HD1 HIS 31 1HD HIS 31 7.872 -3.687 6.413
243 HD2 HIS 31 2HD HIS 31 5.620 -2.000 3.304
244 HE1 HIS 31 1HE HIS 31 5.498 -4.528 6.734
245 H GLY 32 H GLY 32 9.730 1.330 4.482
246 HA2 GLY 32 1HA GLY 32 11.431 2.568 3.610
247 HA3 GLY 32 2HA GLY 32 12.519 1.468 4.469
248 H ALA 33 H ALA 33 10.415 0.805 1.606
249 HA ALA 33 HA ALA 33 12.388 -0.565 0.164
250 HB1 ALA 33 1HB ALA 33 10.736 -0.444 -1.678
251 HB2 ALA 33 2HB ALA 33 9.983 -0.893 -0.143
252 HB3 ALA 33 3HB ALA 33 9.807 0.766 -0.770
253 H ALA 34 H ALA 34 13.288 -0.105 -1.730
254 HA ALA 34 HA ALA 34 14.547 2.572 -1.915
255 HB1 ALA 34 1HB ALA 34 15.915 0.592 -1.370
256 HB2 ALA 34 2HB ALA 34 15.484 -0.132 -2.940
257 HB3 ALA 34 3HB ALA 34 16.440 1.365 -2.875
258 H GLN 35 H GLN 35 11.987 1.568 -3.448
259 HA GLN 35 HA GLN 35 12.536 1.559 -6.245
260 HB2 GLN 35 1HB GLN 35 9.990 2.237 -4.716
261 HB3 GLN 35 2HB GLN 35 10.087 2.004 -6.465
262 HG2 GLN 35 1HG GLN 35 10.904 -0.319 -6.119
263 HG3 GLN 35 2HG GLN 35 10.774 -0.109 -4.374
264 HE21 GLN 35 1HE2 GLN 35 9.397 -2.217 -5.149
265 HE22 GLN 35 2HE2 GLN 35 7.680 -1.864 -5.291
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -16.397 -8.836 -2.072
2 H2 GLY 1 2H GLY 1 -15.440 -9.613 -0.997
3 H3 GLY 1 3H GLY 1 -16.992 -10.092 -1.204
4 HA2 GLY 1 1HA GLY 1 -15.500 -11.634 -2.293
5 HA3 GLY 1 2HA GLY 1 -16.560 -10.807 -3.449
6 H SER 2 H SER 2 -14.120 -12.016 -4.158
7 HA SER 2 HA SER 2 -12.016 -10.001 -4.359
8 HB2 SER 2 1HB SER 2 -12.185 -12.773 -5.584
9 HB3 SER 2 2HB SER 2 -10.732 -11.771 -5.412
10 HG SER 2 HG SER 2 -10.920 -13.334 -3.733
11 H SER 3 H SER 3 -14.751 -10.512 -6.277
12 HA SER 3 HA SER 3 -13.656 -10.368 -8.901
13 HB2 SER 3 1HB SER 3 -16.461 -9.640 -7.990
14 HB3 SER 3 2HB SER 3 -15.956 -10.095 -9.628
15 HG SER 3 HG SER 3 -16.868 -11.870 -8.495
16 H GLY 4 H GLY 4 -14.226 -7.779 -6.650
17 HA2 GLY 4 1HA GLY 4 -12.983 -5.772 -8.122
18 HA3 GLY 4 2HA GLY 4 -14.695 -5.626 -8.526
19 H SER 5 H SER 5 -13.270 -3.606 -7.273
20 HA SER 5 HA SER 5 -13.165 -2.175 -5.529
21 HB2 SER 5 1HB SER 5 -15.939 -3.227 -4.913
22 HB3 SER 5 2HB SER 5 -15.252 -1.685 -4.371
23 HG SER 5 HG SER 5 -16.543 -1.454 -6.265
24 H SER 6 H SER 6 -12.044 -4.819 -4.945
25 HA SER 6 HA SER 6 -12.676 -5.580 -2.261
26 HB2 SER 6 1HB SER 6 -10.222 -6.335 -3.876
27 HB3 SER 6 2HB SER 6 -10.966 -7.252 -2.556
28 HG SER 6 HG SER 6 -12.778 -7.609 -3.881
29 H GLY 7 H GLY 7 -10.688 -3.026 -3.280
30 HA2 GLY 7 1HA GLY 7 -9.452 -1.525 -1.972
31 HA3 GLY 7 2HA GLY 7 -9.436 -2.658 -0.626
32 H TYR 8 H TYR 8 -7.181 -1.260 -1.299
33 HA TYR 8 HA TYR 8 -5.379 -2.991 -2.913
34 HB2 TYR 8 1HB TYR 8 -4.865 -0.302 -1.601
35 HB3 TYR 8 2HB TYR 8 -3.798 -1.147 -2.705
36 HD1 TYR 8 2HD TYR 8 -6.940 0.797 -2.432
37 HD2 TYR 8 1HD TYR 8 -4.216 -1.206 -5.115
38 HE1 TYR 8 2HE TYR 8 -8.028 1.915 -4.378
39 HE2 TYR 8 1HE TYR 8 -5.296 -0.078 -7.053
40 HH TYR 8 HH TYR 8 -6.927 1.376 -7.747
41 H VAL 9 H VAL 9 -3.603 -4.107 -1.981
42 HA VAL 9 HA VAL 9 -3.386 -4.030 0.988
43 HB VAL 9 HB VAL 9 -3.565 -6.584 -0.640
44 HG11 VAL 9 1HG1 VAL 9 -2.153 -6.886 1.307
45 HG12 VAL 9 2HG1 VAL 9 -3.311 -6.050 2.355
46 HG13 VAL 9 3HG1 VAL 9 -3.710 -7.632 1.648
47 HG21 VAL 9 3HG2 VAL 9 -5.577 -5.348 1.287
48 HG22 VAL 9 1HG2 VAL 9 -5.804 -5.566 -0.465
49 HG23 VAL 9 2HG2 VAL 9 -5.688 -6.976 0.586
50 H CYS 10 H CYS 10 -1.454 -4.293 1.873
51 HA CYS 10 HA CYS 10 0.963 -3.908 0.427
52 HB2 CYS 10 1HB CYS 10 0.429 -3.251 2.758
53 HB3 CYS 10 2HB CYS 10 0.467 -4.956 3.230
54 H ALA 11 H ALA 11 2.428 -5.215 -0.435
55 HA ALA 11 HA ALA 11 1.895 -8.096 -0.644
56 HB1 ALA 11 1HB ALA 11 4.128 -6.378 -1.805
57 HB2 ALA 11 2HB ALA 11 3.763 -8.061 -2.234
58 HB3 ALA 11 3HB ALA 11 2.593 -6.783 -2.607
59 H LEU 12 H LEU 12 3.403 -6.215 1.679
60 HA LEU 12 HA LEU 12 5.518 -8.225 2.327
61 HB2 LEU 12 1HB LEU 12 5.300 -5.327 3.207
62 HB3 LEU 12 2HB LEU 12 6.601 -6.453 3.519
63 HG LEU 12 HG LEU 12 6.924 -6.527 0.927
64 HD11 LEU 12 1HD1 LEU 12 4.926 -5.277 0.151
65 HD12 LEU 12 2HD1 LEU 12 6.371 -4.341 -0.184
66 HD13 LEU 12 3HD1 LEU 12 5.346 -3.915 1.199
67 HD21 LEU 12 3HD2 LEU 12 8.333 -4.500 1.088
68 HD22 LEU 12 1HD2 LEU 12 8.429 -5.464 2.577
69 HD23 LEU 12 2HD2 LEU 12 7.411 -4.012 2.529
70 H CYS 13 H CYS 13 3.229 -6.052 3.970
71 HA CYS 13 HA CYS 13 3.076 -7.971 6.251
72 HB2 CYS 13 1HB CYS 13 2.521 -6.247 7.729
73 HB3 CYS 13 2HB CYS 13 3.995 -5.850 6.867
74 H LEU 14 H LEU 14 1.220 -7.270 3.626
75 HA LEU 14 HA LEU 14 -0.899 -7.684 2.995
76 HB2 LEU 14 1HB LEU 14 -0.486 -9.784 5.105
77 HB3 LEU 14 2HB LEU 14 -1.974 -9.689 4.177
78 HG LEU 14 HG LEU 14 -0.771 -9.922 2.061
79 HD11 LEU 14 1HD1 LEU 14 1.463 -9.075 2.483
80 HD12 LEU 14 2HD1 LEU 14 1.592 -10.778 2.074
81 HD13 LEU 14 3HD1 LEU 14 1.726 -10.275 3.774
82 HD21 LEU 14 3HD2 LEU 14 -1.658 -11.886 3.266
83 HD22 LEU 14 1HD2 LEU 14 -0.099 -12.082 4.101
84 HD23 LEU 14 2HD2 LEU 14 -0.208 -12.294 2.338
85 H LYS 15 H LYS 15 -0.633 -5.521 4.872
86 HA LYS 15 HA LYS 15 -3.252 -5.208 6.165
87 HB2 LYS 15 1HB LYS 15 -1.105 -4.256 7.005
88 HB3 LYS 15 2HB LYS 15 -1.015 -3.276 5.526
89 HG2 LYS 15 1HG LYS 15 -2.973 -1.998 6.165
90 HG3 LYS 15 2HG LYS 15 -3.343 -3.100 7.498
91 HD2 LYS 15 1HD LYS 15 -0.849 -1.347 7.353
92 HD3 LYS 15 2HD LYS 15 -2.346 -0.912 8.195
93 HE2 LYS 15 1HE LYS 15 -2.123 -2.996 9.587
94 HE3 LYS 15 2HE LYS 15 -0.558 -3.305 8.824
95 HZ1 LYS 15 3HZ LYS 15 -1.226 -0.897 10.435
96 HZ2 LYS 15 1HZ LYS 15 0.224 -1.177 9.730
97 HZ3 LYS 15 2HZ LYS 15 -0.300 -2.141 10.936
98 H LYS 16 H LYS 16 -4.983 -4.017 5.412
99 HA LYS 16 HA LYS 16 -5.037 -3.373 2.534
100 HB2 LYS 16 1HB LYS 16 -6.684 -4.910 3.535
101 HB3 LYS 16 2HB LYS 16 -7.313 -3.594 4.533
102 HG2 LYS 16 1HG LYS 16 -8.050 -2.363 2.571
103 HG3 LYS 16 2HG LYS 16 -7.247 -3.498 1.479
104 HD2 LYS 16 1HD LYS 16 -9.537 -4.231 3.346
105 HD3 LYS 16 2HD LYS 16 -9.720 -3.774 1.641
106 HE2 LYS 16 1HE LYS 16 -8.098 -5.677 1.078
107 HE3 LYS 16 2HE LYS 16 -8.270 -6.213 2.757
108 HZ1 LYS 16 3HZ LYS 16 -9.847 -7.364 1.345
109 HZ2 LYS 16 1HZ LYS 16 -10.439 -5.961 0.748
110 HZ3 LYS 16 2HZ LYS 16 -10.704 -6.370 2.322
111 H PHE 17 H PHE 17 -5.717 -1.501 1.639
112 HA PHE 17 HA PHE 17 -5.782 0.991 3.277
113 HB2 PHE 17 1HB PHE 17 -4.098 0.369 0.818
114 HB3 PHE 17 2HB PHE 17 -4.312 1.982 1.481
115 HD1 PHE 17 2HD PHE 17 -3.397 2.612 3.693
116 HD2 PHE 17 1HD PHE 17 -2.662 -1.273 1.962
117 HE1 PHE 17 2HE PHE 17 -1.631 2.188 5.388
118 HE2 PHE 17 1HE PHE 17 -0.898 -1.686 3.655
119 HZ PHE 17 HZ PHE 17 -0.416 0.021 5.391
120 H VAL 18 H VAL 18 -6.749 2.770 2.379
121 HA VAL 18 HA VAL 18 -9.077 2.390 0.753
122 HB VAL 18 HB VAL 18 -9.023 4.011 2.524
123 HG11 VAL 18 1HG1 VAL 18 -6.973 5.599 0.929
124 HG12 VAL 18 2HG1 VAL 18 -7.754 6.099 2.440
125 HG13 VAL 18 3HG1 VAL 18 -6.650 4.725 2.453
126 HG21 VAL 18 3HG2 VAL 18 -9.188 5.598 -0.066
127 HG22 VAL 18 1HG2 VAL 18 -10.481 4.530 0.546
128 HG23 VAL 18 2HG2 VAL 18 -9.975 5.956 1.476
129 H SER 19 H SER 19 -5.804 3.471 -0.095
130 HA SER 19 HA SER 19 -6.554 3.371 -2.947
131 HB2 SER 19 1HB SER 19 -5.902 5.486 -3.536
132 HB3 SER 19 2HB SER 19 -6.725 5.790 -2.005
133 HG SER 19 HG SER 19 -4.787 6.890 -2.048
134 H SER 20 H SER 20 -4.744 3.281 -4.413
135 HA SER 20 HA SER 20 -2.508 1.695 -3.579
136 HB2 SER 20 1HB SER 20 -1.630 2.260 -5.849
137 HB3 SER 20 2HB SER 20 -3.278 1.610 -5.852
138 HG SER 20 HG SER 20 -3.097 3.456 -7.201
139 H ILE 21 H ILE 21 -3.017 5.204 -3.710
140 HA ILE 21 HA ILE 21 -0.209 5.917 -3.441
141 HB ILE 21 HB ILE 21 -2.821 7.410 -3.237
142 HG12 ILE 21 1HG1 ILE 21 -1.771 8.834 -4.957
143 HG13 ILE 21 2HG1 ILE 21 -0.288 7.884 -4.876
144 HG21 ILE 21 1HG2 ILE 21 -0.114 8.500 -2.375
145 HG22 ILE 21 2HG2 ILE 21 -1.543 9.499 -2.734
146 HG23 ILE 21 3HG2 ILE 21 -1.589 8.373 -1.384
147 HD11 ILE 21 3HD1 ILE 21 -1.415 5.957 -5.860
148 HD12 ILE 21 1HD1 ILE 21 -2.994 6.779 -5.747
149 HD13 ILE 21 2HD1 ILE 21 -1.742 7.384 -6.849
150 H ARG 22 H ARG 22 -2.892 5.498 -1.057
151 HA ARG 22 HA ARG 22 -1.239 6.141 1.238
152 HB2 ARG 22 1HB ARG 22 -3.610 4.230 1.214
153 HB3 ARG 22 2HB ARG 22 -2.903 5.047 2.599
154 HG2 ARG 22 1HG ARG 22 -4.747 6.116 0.503
155 HG3 ARG 22 2HG ARG 22 -4.825 6.237 2.258
156 HD2 ARG 22 1HD ARG 22 -2.914 7.863 2.155
157 HD3 ARG 22 2HD ARG 22 -3.064 7.807 0.374
158 HE ARG 22 HE ARG 22 -5.619 8.379 1.427
159 HH11 ARG 22 2HH1 ARG 22 -2.530 10.019 1.216
160 HH12 ARG 22 1HH1 ARG 22 -3.266 11.598 1.208
161 HH21 ARG 22 2HH2 ARG 22 -6.491 10.424 1.419
162 HH22 ARG 22 1HH2 ARG 22 -5.450 11.812 1.323
163 H LEU 23 H LEU 23 -1.817 3.108 -0.499
164 HA LEU 23 HA LEU 23 -0.287 1.413 1.231
165 HB2 LEU 23 1HB LEU 23 -1.902 0.453 -0.227
166 HB3 LEU 23 2HB LEU 23 -1.248 1.277 -1.639
167 HG LEU 23 HG LEU 23 0.756 -0.092 -1.602
168 HD11 LEU 23 1HD1 LEU 23 0.842 -0.551 0.898
169 HD12 LEU 23 2HD1 LEU 23 1.075 -1.943 -0.136
170 HD13 LEU 23 3HD1 LEU 23 -0.497 -1.686 0.670
171 HD21 LEU 23 3HD2 LEU 23 -1.205 -0.877 -2.857
172 HD22 LEU 23 1HD2 LEU 23 -1.784 -1.752 -1.418
173 HD23 LEU 23 2HD2 LEU 23 -0.271 -2.238 -2.214
174 H ARG 24 H ARG 24 0.628 3.171 -1.816
175 HA ARG 24 HA ARG 24 3.317 2.268 -1.951
176 HB2 ARG 24 1HB ARG 24 1.962 4.859 -2.778
177 HB3 ARG 24 2HB ARG 24 3.682 4.605 -3.053
178 HG2 ARG 24 1HG ARG 24 3.357 2.827 -4.577
179 HG3 ARG 24 2HG ARG 24 1.703 2.540 -4.050
180 HD2 ARG 24 1HD ARG 24 1.623 3.624 -6.196
181 HD3 ARG 24 2HD ARG 24 1.015 4.737 -4.958
182 HE ARG 24 HE ARG 24 3.824 5.179 -5.369
183 HH11 ARG 24 2HH1 ARG 24 0.817 5.749 -7.070
184 HH12 ARG 24 1HH1 ARG 24 1.439 7.155 -7.890
185 HH21 ARG 24 2HH2 ARG 24 4.556 6.981 -6.449
186 HH22 ARG 24 1HH2 ARG 24 3.505 7.821 -7.550
187 H SER 25 H SER 25 2.126 5.280 -0.479
188 HA SER 25 HA SER 25 4.564 6.087 0.713
189 HB2 SER 25 1HB SER 25 1.657 6.626 1.364
190 HB3 SER 25 2HB SER 25 2.998 7.431 2.224
191 HG SER 25 HG SER 25 2.255 8.648 0.413
192 H HIS 26 H HIS 26 2.045 3.898 2.087
193 HA HIS 26 HA HIS 26 3.201 3.573 4.674
194 HB2 HIS 26 1HB HIS 26 1.078 2.650 4.443
195 HB3 HIS 26 2HB HIS 26 1.427 1.899 2.901
196 HD1 HIS 26 1HD HIS 26 1.927 1.235 6.631
197 HD2 HIS 26 2HD HIS 26 2.576 -0.530 2.869
198 HE1 HIS 26 1HE HIS 26 2.479 -1.200 7.093
199 H ILE 27 H ILE 27 3.947 1.818 1.590
200 HA ILE 27 HA ILE 27 5.819 0.050 2.848
201 HB ILE 27 HB ILE 27 5.784 0.935 -0.058
202 HG12 ILE 27 1HG1 ILE 27 4.579 -1.619 1.107
203 HG13 ILE 27 2HG1 ILE 27 3.626 -0.181 0.827
204 HG21 ILE 27 1HG2 ILE 27 7.052 -1.123 -0.488
205 HG22 ILE 27 2HG2 ILE 27 7.924 -0.151 0.687
206 HG23 ILE 27 3HG2 ILE 27 6.976 -1.560 1.227
207 HD11 ILE 27 3HD1 ILE 27 3.334 -1.633 -1.054
208 HD12 ILE 27 1HD1 ILE 27 4.257 -0.210 -1.583
209 HD13 ILE 27 2HD1 ILE 27 5.079 -1.767 -1.308
210 H ARG 28 H ARG 28 6.290 3.288 1.384
211 HA ARG 28 HA ARG 28 9.178 3.240 1.714
212 HB2 ARG 28 1HB ARG 28 7.497 5.750 1.712
213 HB3 ARG 28 2HB ARG 28 9.176 5.551 1.222
214 HG2 ARG 28 1HG ARG 28 6.681 4.643 -0.226
215 HG3 ARG 28 2HG ARG 28 7.789 5.891 -0.741
216 HD2 ARG 28 1HD ARG 28 8.540 2.936 -0.546
217 HD3 ARG 28 2HD ARG 28 7.846 3.695 -1.978
218 HE ARG 28 HE ARG 28 10.259 5.021 -0.933
219 HH11 ARG 28 2HH1 ARG 28 9.135 2.593 -3.257
220 HH12 ARG 28 1HH1 ARG 28 10.589 2.851 -4.236
221 HH21 ARG 28 2HH2 ARG 28 12.041 5.174 -2.356
222 HH22 ARG 28 1HH2 ARG 28 12.027 4.131 -3.784
223 H GLU 29 H GLU 29 6.558 4.518 3.864
224 HA GLU 29 HA GLU 29 8.291 5.618 5.780
225 HB2 GLU 29 1HB GLU 29 6.020 6.340 5.139
226 HB3 GLU 29 2HB GLU 29 5.342 4.800 5.712
227 HG2 GLU 29 1HG GLU 29 6.040 5.265 7.936
228 HG3 GLU 29 2HG GLU 29 6.926 6.709 7.397
229 H VAL 30 H VAL 30 6.592 2.467 5.586
230 HA VAL 30 HA VAL 30 7.534 1.758 8.313
231 HB VAL 30 HB VAL 30 5.394 0.443 6.598
232 HG11 VAL 30 1HG1 VAL 30 6.059 0.146 9.556
233 HG12 VAL 30 2HG1 VAL 30 4.623 -0.526 8.755
234 HG13 VAL 30 3HG1 VAL 30 6.222 -1.105 8.302
235 HG21 VAL 30 3HG2 VAL 30 3.800 1.585 8.167
236 HG22 VAL 30 1HG2 VAL 30 5.166 2.490 8.853
237 HG23 VAL 30 2HG2 VAL 30 4.691 2.722 7.155
238 H HIS 31 H HIS 31 7.829 0.602 4.968
239 HA HIS 31 HA HIS 31 9.472 -1.700 5.969
240 HB2 HIS 31 1HB HIS 31 8.124 -1.352 3.281
241 HB3 HIS 31 2HB HIS 31 9.017 -2.758 3.841
242 HD1 HIS 31 1HD HIS 31 7.765 -3.498 6.535
243 HD2 HIS 31 2HD HIS 31 5.634 -2.038 3.229
244 HE1 HIS 31 1HE HIS 31 5.379 -4.306 6.835
245 H GLY 32 H GLY 32 9.760 1.320 4.316
246 HA2 GLY 32 1HA GLY 32 11.585 2.451 3.558
247 HA3 GLY 32 2HA GLY 32 12.586 1.308 4.464
248 H ALA 33 H ALA 33 10.498 0.450 1.695
249 HA ALA 33 HA ALA 33 12.464 -0.990 0.313
250 HB1 ALA 33 1HB ALA 33 9.894 0.277 -0.727
251 HB2 ALA 33 2HB ALA 33 10.825 -1.004 -1.531
252 HB3 ALA 33 3HB ALA 33 10.049 -1.331 0.029
253 H ALA 34 H ALA 34 14.063 -0.421 -0.817
254 HA ALA 34 HA ALA 34 14.680 2.350 -1.469
255 HB1 ALA 34 1HB ALA 34 16.940 1.491 -1.852
256 HB2 ALA 34 2HB ALA 34 16.278 0.842 -0.342
257 HB3 ALA 34 3HB ALA 34 16.340 -0.180 -1.799
258 H GLN 35 H GLN 35 12.780 0.529 -3.217
259 HA GLN 35 HA GLN 35 13.964 0.432 -5.857
260 HB2 GLN 35 1HB GLN 35 11.074 0.197 -4.922
261 HB3 GLN 35 2HB GLN 35 11.633 -0.089 -6.576
262 HG2 GLN 35 1HG GLN 35 13.144 -1.894 -5.754
263 HG3 GLN 35 2HG GLN 35 12.528 -1.661 -4.117
264 HE21 GLN 35 1HE2 GLN 35 12.264 -4.179 -4.906
265 HE22 GLN 35 2HE2 GLN 35 10.619 -4.527 -5.427
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -21.185 -7.139 -11.849
2 H2 GLY 1 2H GLY 1 -22.777 -7.109 -12.233
3 H3 GLY 1 3H GLY 1 -22.031 -8.538 -11.950
4 HA2 GLY 1 1HA GLY 1 -23.390 -7.929 -10.060
5 HA3 GLY 1 2HA GLY 1 -21.668 -7.989 -9.644
6 H SER 2 H SER 2 -23.947 -6.441 -8.456
7 HA SER 2 HA SER 2 -23.614 -3.659 -9.177
8 HB2 SER 2 1HB SER 2 -24.972 -4.876 -6.748
9 HB3 SER 2 2HB SER 2 -25.219 -3.245 -7.391
10 HG SER 2 HG SER 2 -26.105 -4.157 -9.271
11 H SER 3 H SER 3 -21.791 -5.637 -7.012
12 HA SER 3 HA SER 3 -21.172 -3.769 -4.962
13 HB2 SER 3 1HB SER 3 -19.503 -6.108 -5.957
14 HB3 SER 3 2HB SER 3 -19.350 -5.293 -4.389
15 HG SER 3 HG SER 3 -20.619 -7.207 -4.248
16 H GLY 4 H GLY 4 -19.407 -2.468 -4.543
17 HA2 GLY 4 1HA GLY 4 -18.014 -1.206 -6.771
18 HA3 GLY 4 2HA GLY 4 -17.818 -0.856 -5.058
19 H SER 5 H SER 5 -15.609 -0.762 -6.523
20 HA SER 5 HA SER 5 -14.105 -3.157 -6.856
21 HB2 SER 5 1HB SER 5 -13.100 -0.328 -6.380
22 HB3 SER 5 2HB SER 5 -12.163 -1.677 -7.048
23 HG SER 5 HG SER 5 -13.026 -0.314 -8.693
24 H SER 6 H SER 6 -12.402 -4.070 -5.677
25 HA SER 6 HA SER 6 -12.655 -4.033 -2.782
26 HB2 SER 6 1HB SER 6 -10.844 -5.751 -2.905
27 HB3 SER 6 2HB SER 6 -12.292 -6.129 -3.851
28 HG SER 6 HG SER 6 -10.351 -6.524 -5.027
29 H GLY 7 H GLY 7 -10.895 -3.745 -1.291
30 HA2 GLY 7 1HA GLY 7 -9.398 -1.295 -1.660
31 HA3 GLY 7 2HA GLY 7 -9.321 -2.374 -0.273
32 H TYR 8 H TYR 8 -7.102 -1.082 -1.254
33 HA TYR 8 HA TYR 8 -5.465 -2.952 -2.875
34 HB2 TYR 8 1HB TYR 8 -4.781 -0.262 -1.622
35 HB3 TYR 8 2HB TYR 8 -3.789 -1.171 -2.752
36 HD1 TYR 8 2HD TYR 8 -6.844 0.894 -2.391
37 HD2 TYR 8 1HD TYR 8 -4.307 -1.253 -5.144
38 HE1 TYR 8 2HE TYR 8 -7.983 2.006 -4.301
39 HE2 TYR 8 1HE TYR 8 -5.447 -0.130 -7.058
40 HH TYR 8 HH TYR 8 -8.103 2.230 -6.580
41 H VAL 9 H VAL 9 -3.576 -4.062 -1.975
42 HA VAL 9 HA VAL 9 -3.398 -4.012 1.003
43 HB VAL 9 HB VAL 9 -3.518 -6.538 -0.670
44 HG11 VAL 9 1HG1 VAL 9 -2.071 -6.875 1.235
45 HG12 VAL 9 2HG1 VAL 9 -3.203 -6.064 2.331
46 HG13 VAL 9 3HG1 VAL 9 -3.614 -7.635 1.606
47 HG21 VAL 9 3HG2 VAL 9 -5.773 -5.547 -0.421
48 HG22 VAL 9 1HG2 VAL 9 -5.614 -7.002 0.560
49 HG23 VAL 9 2HG2 VAL 9 -5.520 -5.407 1.333
50 H CYS 10 H CYS 10 -1.512 -4.213 1.924
51 HA CYS 10 HA CYS 10 0.959 -3.739 0.607
52 HB2 CYS 10 1HB CYS 10 0.228 -3.155 2.925
53 HB3 CYS 10 2HB CYS 10 0.363 -4.865 3.359
54 H ALA 11 H ALA 11 2.342 -5.038 -0.402
55 HA ALA 11 HA ALA 11 1.981 -7.953 -0.429
56 HB1 ALA 11 1HB ALA 11 4.014 -6.151 -1.808
57 HB2 ALA 11 2HB ALA 11 3.756 -7.879 -2.131
58 HB3 ALA 11 3HB ALA 11 2.472 -6.708 -2.492
59 H LEU 12 H LEU 12 3.480 -5.846 1.667
60 HA LEU 12 HA LEU 12 5.875 -7.480 2.287
61 HB2 LEU 12 1HB LEU 12 4.979 -4.834 3.407
62 HB3 LEU 12 2HB LEU 12 6.529 -5.580 3.612
63 HG LEU 12 HG LEU 12 6.654 -3.706 2.179
64 HD11 LEU 12 1HD1 LEU 12 8.142 -5.549 1.785
65 HD12 LEU 12 2HD1 LEU 12 7.802 -4.599 0.305
66 HD13 LEU 12 3HD1 LEU 12 7.000 -6.200 0.577
67 HD21 LEU 12 3HD2 LEU 12 4.372 -3.774 1.052
68 HD22 LEU 12 1HD2 LEU 12 5.036 -5.024 -0.019
69 HD23 LEU 12 2HD2 LEU 12 5.754 -3.425 0.006
70 H CYS 13 H CYS 13 3.138 -5.991 3.844
71 HA CYS 13 HA CYS 13 3.184 -7.971 6.091
72 HB2 CYS 13 1HB CYS 13 2.674 -6.415 7.717
73 HB3 CYS 13 2HB CYS 13 4.057 -5.849 6.808
74 H LEU 14 H LEU 14 1.199 -7.176 3.575
75 HA LEU 14 HA LEU 14 -0.922 -7.635 3.013
76 HB2 LEU 14 1HB LEU 14 -0.433 -9.775 5.063
77 HB3 LEU 14 2HB LEU 14 -1.936 -9.672 4.160
78 HG LEU 14 HG LEU 14 -0.753 -9.828 2.019
79 HD11 LEU 14 1HD1 LEU 14 1.492 -8.999 2.440
80 HD12 LEU 14 2HD1 LEU 14 1.610 -10.688 1.986
81 HD13 LEU 14 3HD1 LEU 14 1.761 -10.231 3.699
82 HD21 LEU 14 3HD2 LEU 14 -0.186 -12.206 2.219
83 HD22 LEU 14 1HD2 LEU 14 -1.627 -11.827 3.171
84 HD23 LEU 14 2HD2 LEU 14 -0.062 -12.048 3.986
85 H LYS 15 H LYS 15 -0.631 -5.497 4.920
86 HA LYS 15 HA LYS 15 -3.252 -5.204 6.215
87 HB2 LYS 15 1HB LYS 15 -1.145 -4.180 7.060
88 HB3 LYS 15 2HB LYS 15 -1.038 -3.256 5.543
89 HG2 LYS 15 1HG LYS 15 -3.029 -1.979 6.107
90 HG3 LYS 15 2HG LYS 15 -3.395 -3.048 7.476
91 HD2 LYS 15 1HD LYS 15 -1.387 -2.272 8.658
92 HD3 LYS 15 2HD LYS 15 -0.939 -1.247 7.276
93 HE2 LYS 15 1HE LYS 15 -3.033 0.041 7.523
94 HE3 LYS 15 2HE LYS 15 -3.550 -1.014 8.844
95 HZ1 LYS 15 3HZ LYS 15 -1.161 0.754 8.926
96 HZ2 LYS 15 1HZ LYS 15 -1.641 -0.232 10.140
97 HZ3 LYS 15 2HZ LYS 15 -2.571 1.030 9.697
98 H LYS 16 H LYS 16 -5.006 -4.052 5.456
99 HA LYS 16 HA LYS 16 -5.091 -3.440 2.567
100 HB2 LYS 16 1HB LYS 16 -6.707 -4.983 3.649
101 HB3 LYS 16 2HB LYS 16 -7.359 -3.628 4.576
102 HG2 LYS 16 1HG LYS 16 -8.069 -2.506 2.511
103 HG3 LYS 16 2HG LYS 16 -7.314 -3.757 1.519
104 HD2 LYS 16 1HD LYS 16 -9.584 -4.241 3.493
105 HD3 LYS 16 2HD LYS 16 -9.803 -3.962 1.758
106 HE2 LYS 16 1HE LYS 16 -8.448 -5.971 1.243
107 HE3 LYS 16 2HE LYS 16 -8.211 -6.268 2.969
108 HZ1 LYS 16 3HZ LYS 16 -10.034 -7.604 2.094
109 HZ2 LYS 16 1HZ LYS 16 -10.849 -6.281 1.599
110 HZ3 LYS 16 2HZ LYS 16 -10.618 -6.551 3.194
111 H PHE 17 H PHE 17 -5.783 -1.585 1.656
112 HA PHE 17 HA PHE 17 -5.916 0.928 3.253
113 HB2 PHE 17 1HB PHE 17 -4.173 0.302 0.835
114 HB3 PHE 17 2HB PHE 17 -4.459 1.927 1.435
115 HD1 PHE 17 2HD PHE 17 -3.649 2.649 3.666
116 HD2 PHE 17 1HD PHE 17 -2.662 -1.219 2.026
117 HE1 PHE 17 2HE PHE 17 -1.884 2.370 5.389
118 HE2 PHE 17 1HE PHE 17 -0.909 -1.495 3.760
119 HZ PHE 17 HZ PHE 17 -0.542 0.280 5.454
120 H VAL 18 H VAL 18 -6.937 2.648 2.341
121 HA VAL 18 HA VAL 18 -9.214 2.151 0.653
122 HB VAL 18 HB VAL 18 -9.215 3.676 2.556
123 HG11 VAL 18 1HG1 VAL 18 -8.210 5.901 2.479
124 HG12 VAL 18 2HG1 VAL 18 -6.953 4.670 2.375
125 HG13 VAL 18 3HG1 VAL 18 -7.459 5.552 0.914
126 HG21 VAL 18 3HG2 VAL 18 -9.784 5.267 0.033
127 HG22 VAL 18 1HG2 VAL 18 -10.864 4.029 0.727
128 HG23 VAL 18 2HG2 VAL 18 -10.479 5.499 1.646
129 H SER 19 H SER 19 -5.989 3.271 -0.088
130 HA SER 19 HA SER 19 -6.673 3.639 -2.950
131 HB2 SER 19 1HB SER 19 -6.981 5.855 -2.082
132 HB3 SER 19 2HB SER 19 -5.474 5.774 -1.163
133 HG SER 19 HG SER 19 -5.447 6.930 -3.261
134 H SER 20 H SER 20 -4.918 3.456 -4.358
135 HA SER 20 HA SER 20 -2.711 1.791 -3.594
136 HB2 SER 20 1HB SER 20 -1.874 2.315 -5.878
137 HB3 SER 20 2HB SER 20 -3.549 1.744 -5.848
138 HG SER 20 HG SER 20 -3.342 3.565 -7.200
139 H ILE 21 H ILE 21 -3.091 5.331 -3.770
140 HA ILE 21 HA ILE 21 -0.274 5.962 -3.543
141 HB ILE 21 HB ILE 21 -2.837 7.496 -3.056
142 HG12 ILE 21 1HG1 ILE 21 -1.946 8.961 -4.831
143 HG13 ILE 21 2HG1 ILE 21 -0.481 7.988 -4.942
144 HG21 ILE 21 1HG2 ILE 21 -0.021 8.487 -2.457
145 HG22 ILE 21 2HG2 ILE 21 -1.446 9.538 -2.631
146 HG23 ILE 21 3HG2 ILE 21 -1.383 8.366 -1.319
147 HD11 ILE 21 3HD1 ILE 21 -2.147 7.598 -6.771
148 HD12 ILE 21 1HD1 ILE 21 -1.731 6.126 -5.887
149 HD13 ILE 21 2HD1 ILE 21 -3.281 6.952 -5.568
150 H ARG 22 H ARG 22 -2.837 5.490 -1.108
151 HA ARG 22 HA ARG 22 -1.208 6.067 1.220
152 HB2 ARG 22 1HB ARG 22 -3.685 4.312 0.931
153 HB3 ARG 22 2HB ARG 22 -3.006 4.857 2.455
154 HG2 ARG 22 1HG ARG 22 -4.115 6.746 0.318
155 HG3 ARG 22 2HG ARG 22 -5.026 6.099 1.674
156 HD2 ARG 22 1HD ARG 22 -4.425 8.208 2.395
157 HD3 ARG 22 2HD ARG 22 -3.294 7.126 3.216
158 HE ARG 22 HE ARG 22 -2.446 8.416 0.668
159 HH11 ARG 22 2HH1 ARG 22 -2.152 8.486 4.159
160 HH12 ARG 22 1HH1 ARG 22 -0.725 9.483 4.110
161 HH21 ARG 22 2HH2 ARG 22 -0.611 9.691 0.684
162 HH22 ARG 22 1HH2 ARG 22 0.106 10.145 2.198
163 H LEU 23 H LEU 23 -1.851 3.074 -0.568
164 HA LEU 23 HA LEU 23 -0.271 1.330 1.082
165 HB2 LEU 23 1HB LEU 23 -1.891 0.371 -0.346
166 HB3 LEU 23 2HB LEU 23 -1.344 1.281 -1.748
167 HG LEU 23 HG LEU 23 0.706 -0.032 -1.895
168 HD11 LEU 23 1HD1 LEU 23 1.008 -0.628 0.521
169 HD12 LEU 23 2HD1 LEU 23 1.053 -2.019 -0.555
170 HD13 LEU 23 3HD1 LEU 23 -0.411 -1.680 0.411
171 HD21 LEU 23 3HD2 LEU 23 -1.769 -1.777 -1.658
172 HD22 LEU 23 1HD2 LEU 23 -0.300 -2.154 -2.578
173 HD23 LEU 23 2HD2 LEU 23 -1.318 -0.793 -3.074
174 H ARG 24 H ARG 24 0.553 3.106 -1.979
175 HA ARG 24 HA ARG 24 3.200 2.117 -2.218
176 HB2 ARG 24 1HB ARG 24 1.868 4.735 -3.038
177 HB3 ARG 24 2HB ARG 24 3.546 4.408 -3.455
178 HG2 ARG 24 1HG ARG 24 3.023 2.566 -4.854
179 HG3 ARG 24 2HG ARG 24 1.386 2.408 -4.212
180 HD2 ARG 24 1HD ARG 24 0.822 4.652 -5.161
181 HD3 ARG 24 2HD ARG 24 2.439 4.723 -5.891
182 HE ARG 24 HE ARG 24 1.267 2.293 -6.720
183 HH11 ARG 24 2HH1 ARG 24 0.642 5.699 -7.248
184 HH12 ARG 24 1HH1 ARG 24 -0.164 5.409 -8.766
185 HH21 ARG 24 2HH2 ARG 24 0.248 1.998 -8.675
186 HH22 ARG 24 1HH2 ARG 24 -0.367 3.368 -9.551
187 H SER 25 H SER 25 2.116 5.065 -0.556
188 HA SER 25 HA SER 25 4.767 5.768 0.375
189 HB2 SER 25 1HB SER 25 1.961 6.700 1.021
190 HB3 SER 25 2HB SER 25 3.408 7.397 1.802
191 HG SER 25 HG SER 25 2.792 8.563 -0.083
192 H HIS 26 H HIS 26 2.124 3.860 1.886
193 HA HIS 26 HA HIS 26 3.175 3.660 4.522
194 HB2 HIS 26 1HB HIS 26 1.048 2.721 4.184
195 HB3 HIS 26 2HB HIS 26 1.530 1.844 2.751
196 HD1 HIS 26 1HD HIS 26 1.793 1.524 6.562
197 HD2 HIS 26 2HD HIS 26 2.544 -0.597 3.006
198 HE1 HIS 26 1HE HIS 26 2.182 -0.886 7.262
199 H ILE 27 H ILE 27 4.062 1.807 1.567
200 HA ILE 27 HA ILE 27 5.822 0.032 2.921
201 HB ILE 27 HB ILE 27 6.067 0.870 0.012
202 HG12 ILE 27 1HG1 ILE 27 4.530 -1.530 1.061
203 HG13 ILE 27 2HG1 ILE 27 3.726 -0.017 0.768
204 HG21 ILE 27 1HG2 ILE 27 7.156 -1.220 -0.320
205 HG22 ILE 27 2HG2 ILE 27 8.001 -0.347 0.956
206 HG23 ILE 27 3HG2 ILE 27 6.896 -1.665 1.384
207 HD11 ILE 27 3HD1 ILE 27 4.475 0.001 -1.585
208 HD12 ILE 27 1HD1 ILE 27 5.202 -1.602 -1.350
209 HD13 ILE 27 2HD1 ILE 27 3.450 -1.397 -1.179
210 H ARG 28 H ARG 28 6.415 3.287 1.661
211 HA ARG 28 HA ARG 28 9.317 3.091 1.990
212 HB2 ARG 28 1HB ARG 28 7.834 5.702 1.833
213 HB3 ARG 28 2HB ARG 28 9.431 5.287 1.220
214 HG2 ARG 28 1HG ARG 28 6.726 4.504 0.115
215 HG3 ARG 28 2HG ARG 28 7.867 5.607 -0.634
216 HD2 ARG 28 1HD ARG 28 9.295 3.841 -1.314
217 HD3 ARG 28 2HD ARG 28 8.532 2.665 -0.218
218 HE ARG 28 HE ARG 28 6.416 3.284 -1.695
219 HH11 ARG 28 2HH1 ARG 28 9.618 2.254 -2.764
220 HH12 ARG 28 1HH1 ARG 28 8.982 1.607 -4.254
221 HH21 ARG 28 2HH2 ARG 28 5.720 2.449 -3.608
222 HH22 ARG 28 1HH2 ARG 28 6.840 1.687 -4.700
223 H GLU 29 H GLU 29 6.666 4.356 3.944
224 HA GLU 29 HA GLU 29 8.386 5.449 6.027
225 HB2 GLU 29 1HB GLU 29 5.407 4.844 5.887
226 HB3 GLU 29 2HB GLU 29 6.180 5.627 7.263
227 HG2 GLU 29 1HG GLU 29 6.203 6.738 4.420
228 HG3 GLU 29 2HG GLU 29 5.067 7.203 5.678
229 H VAL 30 H VAL 30 6.657 2.354 5.635
230 HA VAL 30 HA VAL 30 7.473 1.540 8.383
231 HB VAL 30 HB VAL 30 5.371 0.335 6.549
232 HG11 VAL 30 1HG1 VAL 30 4.512 -0.700 8.642
233 HG12 VAL 30 2HG1 VAL 30 6.117 -1.292 8.227
234 HG13 VAL 30 3HG1 VAL 30 5.929 -0.083 9.517
235 HG21 VAL 30 3HG2 VAL 30 3.759 1.455 8.124
236 HG22 VAL 30 1HG2 VAL 30 5.127 2.304 8.868
237 HG23 VAL 30 2HG2 VAL 30 4.697 2.603 7.170
238 H HIS 31 H HIS 31 7.874 0.487 5.019
239 HA HIS 31 HA HIS 31 9.477 -1.856 5.985
240 HB2 HIS 31 1HB HIS 31 8.044 -1.531 3.347
241 HB3 HIS 31 2HB HIS 31 8.869 -2.971 3.932
242 HD1 HIS 31 1HD HIS 31 7.677 -3.667 6.600
243 HD2 HIS 31 2HD HIS 31 5.474 -1.890 3.498
244 HE1 HIS 31 1HE HIS 31 5.245 -4.220 7.066
245 H GLY 32 H GLY 32 9.822 1.163 4.472
246 HA2 GLY 32 1HA GLY 32 11.723 2.279 3.954
247 HA3 GLY 32 2HA GLY 32 12.669 0.864 4.439
248 H ALA 33 H ALA 33 10.339 0.661 1.781
249 HA ALA 33 HA ALA 33 12.441 -0.094 -0.077
250 HB1 ALA 33 1HB ALA 33 9.498 0.317 -0.599
251 HB2 ALA 33 2HB ALA 33 10.655 -0.602 -1.583
252 HB3 ALA 33 3HB ALA 33 10.228 -1.190 0.042
253 H ALA 34 H ALA 34 13.178 2.271 0.547
254 HA ALA 34 HA ALA 34 12.806 3.997 -1.865
255 HB1 ALA 34 1HB ALA 34 12.668 5.987 -0.420
256 HB2 ALA 34 2HB ALA 34 11.367 4.844 -0.052
257 HB3 ALA 34 3HB ALA 34 12.778 4.960 1.028
258 H GLN 35 H GLN 35 15.007 2.162 -0.547
259 HA GLN 35 HA GLN 35 17.302 3.835 -1.320
260 HB2 GLN 35 1HB GLN 35 18.574 3.311 0.691
261 HB3 GLN 35 2HB GLN 35 17.135 4.251 1.073
262 HG2 GLN 35 1HG GLN 35 15.985 2.172 1.841
263 HG3 GLN 35 2HG GLN 35 17.431 1.234 1.456
264 HE21 GLN 35 1HE2 GLN 35 16.208 3.883 3.586
265 HE22 GLN 35 2HE2 GLN 35 17.421 3.610 4.830
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -19.999 -5.027 -4.278
2 H2 GLY 1 2H GLY 1 -18.874 -6.214 -4.170
3 H3 GLY 1 3H GLY 1 -20.363 -6.549 -4.762
4 HA2 GLY 1 1HA GLY 1 -19.994 -5.154 -6.683
5 HA3 GLY 1 2HA GLY 1 -18.390 -4.762 -6.035
6 H SER 2 H SER 2 -19.351 -6.187 -8.557
7 HA SER 2 HA SER 2 -18.892 -8.951 -8.427
8 HB2 SER 2 1HB SER 2 -18.508 -7.126 -10.826
9 HB3 SER 2 2HB SER 2 -18.838 -8.868 -10.857
10 HG SER 2 HG SER 2 -20.745 -7.626 -11.169
11 H SER 3 H SER 3 -16.447 -6.510 -8.363
12 HA SER 3 HA SER 3 -14.221 -8.022 -9.430
13 HB2 SER 3 1HB SER 3 -12.893 -6.284 -8.219
14 HB3 SER 3 2HB SER 3 -14.130 -5.612 -9.297
15 HG SER 3 HG SER 3 -14.085 -4.622 -7.189
16 H GLY 4 H GLY 4 -15.924 -8.121 -6.368
17 HA2 GLY 4 1HA GLY 4 -15.682 -9.502 -4.550
18 HA3 GLY 4 2HA GLY 4 -14.399 -10.370 -5.397
19 H SER 5 H SER 5 -13.791 -6.979 -5.073
20 HA SER 5 HA SER 5 -12.055 -7.381 -2.674
21 HB2 SER 5 1HB SER 5 -10.314 -6.064 -3.759
22 HB3 SER 5 2HB SER 5 -10.692 -7.527 -4.682
23 HG SER 5 HG SER 5 -10.509 -5.674 -6.028
24 H SER 6 H SER 6 -11.469 -5.511 -1.500
25 HA SER 6 HA SER 6 -13.363 -3.206 -1.687
26 HB2 SER 6 1HB SER 6 -13.645 -3.361 0.756
27 HB3 SER 6 2HB SER 6 -14.218 -4.799 -0.099
28 HG SER 6 HG SER 6 -12.998 -5.328 1.745
29 H GLY 7 H GLY 7 -10.148 -3.811 -1.865
30 HA2 GLY 7 1HA GLY 7 -9.313 -1.158 -1.592
31 HA3 GLY 7 2HA GLY 7 -8.976 -1.918 -0.037
32 H TYR 8 H TYR 8 -6.854 -1.009 -1.140
33 HA TYR 8 HA TYR 8 -5.446 -3.037 -2.812
34 HB2 TYR 8 1HB TYR 8 -4.546 -0.325 -1.765
35 HB3 TYR 8 2HB TYR 8 -3.631 -1.370 -2.836
36 HD1 TYR 8 2HD TYR 8 -6.657 0.795 -2.597
37 HD2 TYR 8 1HD TYR 8 -4.085 -1.488 -5.205
38 HE1 TYR 8 2HE TYR 8 -7.740 1.841 -4.577
39 HE2 TYR 8 1HE TYR 8 -5.164 -0.430 -7.187
40 HH TYR 8 HH TYR 8 -7.805 1.975 -6.866
41 H VAL 9 H VAL 9 -3.632 -4.233 -1.976
42 HA VAL 9 HA VAL 9 -3.352 -4.126 0.996
43 HB VAL 9 HB VAL 9 -3.496 -6.664 -0.645
44 HG11 VAL 9 1HG1 VAL 9 -3.625 -7.715 1.645
45 HG12 VAL 9 2HG1 VAL 9 -2.074 -6.945 1.317
46 HG13 VAL 9 3HG1 VAL 9 -3.257 -6.128 2.357
47 HG21 VAL 9 3HG2 VAL 9 -5.622 -7.062 0.574
48 HG22 VAL 9 1HG2 VAL 9 -5.514 -5.437 1.287
49 HG23 VAL 9 2HG2 VAL 9 -5.737 -5.642 -0.465
50 H CYS 10 H CYS 10 -1.476 -4.296 1.898
51 HA CYS 10 HA CYS 10 0.957 -3.818 0.509
52 HB2 CYS 10 1HB CYS 10 0.075 -3.249 2.891
53 HB3 CYS 10 2HB CYS 10 0.600 -4.866 3.341
54 H ALA 11 H ALA 11 1.995 -5.270 -0.742
55 HA ALA 11 HA ALA 11 1.873 -8.117 -0.448
56 HB1 ALA 11 1HB ALA 11 3.693 -8.072 -2.125
57 HB2 ALA 11 2HB ALA 11 2.390 -6.945 -2.551
58 HB3 ALA 11 3HB ALA 11 3.904 -6.326 -1.856
59 H LEU 12 H LEU 12 3.443 -5.875 1.492
60 HA LEU 12 HA LEU 12 5.824 -7.427 2.239
61 HB2 LEU 12 1HB LEU 12 4.692 -4.833 3.295
62 HB3 LEU 12 2HB LEU 12 6.260 -5.482 3.655
63 HG LEU 12 HG LEU 12 6.372 -3.618 2.176
64 HD11 LEU 12 1HD1 LEU 12 7.113 -6.132 0.747
65 HD12 LEU 12 2HD1 LEU 12 8.029 -5.356 2.064
66 HD13 LEU 12 3HD1 LEU 12 7.823 -4.486 0.512
67 HD21 LEU 12 3HD2 LEU 12 5.712 -3.495 -0.095
68 HD22 LEU 12 1HD2 LEU 12 4.252 -3.891 0.816
69 HD23 LEU 12 2HD2 LEU 12 5.108 -5.144 -0.115
70 H CYS 13 H CYS 13 3.020 -6.061 3.798
71 HA CYS 13 HA CYS 13 3.177 -7.982 6.087
72 HB2 CYS 13 1HB CYS 13 2.552 -6.318 7.616
73 HB3 CYS 13 2HB CYS 13 3.939 -5.790 6.681
74 H LEU 14 H LEU 14 1.110 -7.376 3.576
75 HA LEU 14 HA LEU 14 -0.979 -7.854 3.043
76 HB2 LEU 14 1HB LEU 14 -0.951 -9.802 5.346
77 HB3 LEU 14 2HB LEU 14 -2.037 -9.821 3.961
78 HG LEU 14 HG LEU 14 0.980 -10.262 3.866
79 HD11 LEU 14 1HD1 LEU 14 -1.360 -12.143 3.361
80 HD12 LEU 14 2HD1 LEU 14 -0.321 -12.133 4.806
81 HD13 LEU 14 3HD1 LEU 14 0.369 -12.544 3.227
82 HD21 LEU 14 3HD2 LEU 14 0.585 -10.892 1.481
83 HD22 LEU 14 1HD2 LEU 14 0.303 -9.183 1.780
84 HD23 LEU 14 2HD2 LEU 14 -1.082 -10.279 1.616
85 H LYS 15 H LYS 15 -0.654 -5.614 4.835
86 HA LYS 15 HA LYS 15 -3.273 -5.284 6.152
87 HB2 LYS 15 1HB LYS 15 -1.131 -4.373 7.035
88 HB3 LYS 15 2HB LYS 15 -1.002 -3.373 5.574
89 HG2 LYS 15 1HG LYS 15 -2.957 -2.080 6.196
90 HG3 LYS 15 2HG LYS 15 -3.370 -3.198 7.499
91 HD2 LYS 15 1HD LYS 15 -0.853 -1.476 7.446
92 HD3 LYS 15 2HD LYS 15 -2.366 -1.034 8.254
93 HE2 LYS 15 1HE LYS 15 -2.211 -3.151 9.611
94 HE3 LYS 15 2HE LYS 15 -0.624 -3.458 8.894
95 HZ1 LYS 15 3HZ LYS 15 0.142 -1.352 9.872
96 HZ2 LYS 15 1HZ LYS 15 -0.432 -2.338 11.038
97 HZ3 LYS 15 2HZ LYS 15 -1.330 -1.077 10.530
98 H LYS 16 H LYS 16 -4.979 -4.066 5.405
99 HA LYS 16 HA LYS 16 -5.003 -3.398 2.523
100 HB2 LYS 16 1HB LYS 16 -6.660 -4.964 3.477
101 HB3 LYS 16 2HB LYS 16 -7.312 -3.660 4.474
102 HG2 LYS 16 1HG LYS 16 -7.981 -2.405 2.484
103 HG3 LYS 16 2HG LYS 16 -7.215 -3.586 1.416
104 HD2 LYS 16 1HD LYS 16 -9.494 -4.254 3.329
105 HD3 LYS 16 2HD LYS 16 -9.740 -3.750 1.653
106 HE2 LYS 16 1HE LYS 16 -8.455 -5.665 0.822
107 HE3 LYS 16 2HE LYS 16 -8.087 -6.180 2.475
108 HZ1 LYS 16 3HZ LYS 16 -10.433 -6.578 2.844
109 HZ2 LYS 16 1HZ LYS 16 -9.989 -7.393 1.503
110 HZ3 LYS 16 2HZ LYS 16 -10.845 -5.998 1.377
111 H PHE 17 H PHE 17 -5.615 -1.518 1.643
112 HA PHE 17 HA PHE 17 -5.837 0.948 3.305
113 HB2 PHE 17 1HB PHE 17 -4.033 0.410 0.914
114 HB3 PHE 17 2HB PHE 17 -4.330 2.010 1.574
115 HD1 PHE 17 1HD PHE 17 -2.633 -1.216 2.146
116 HD2 PHE 17 2HD PHE 17 -3.474 2.691 3.775
117 HE1 PHE 17 1HE PHE 17 -0.917 -1.570 3.904
118 HE2 PHE 17 2HE PHE 17 -1.755 2.329 5.530
119 HZ PHE 17 HZ PHE 17 -0.509 0.181 5.617
120 H VAL 18 H VAL 18 -6.796 2.711 2.360
121 HA VAL 18 HA VAL 18 -9.095 2.226 0.730
122 HB VAL 18 HB VAL 18 -8.968 3.820 2.587
123 HG11 VAL 18 1HG1 VAL 18 -7.344 5.637 0.763
124 HG12 VAL 18 2HG1 VAL 18 -7.937 6.009 2.389
125 HG13 VAL 18 3HG1 VAL 18 -6.689 4.779 2.182
126 HG21 VAL 18 3HG2 VAL 18 -10.719 4.127 0.851
127 HG22 VAL 18 1HG2 VAL 18 -10.246 5.631 1.666
128 HG23 VAL 18 2HG2 VAL 18 -9.660 5.302 0.030
129 H SER 19 H SER 19 -5.872 3.234 -0.162
130 HA SER 19 HA SER 19 -6.598 3.425 -3.015
131 HB2 SER 19 1HB SER 19 -6.978 5.696 -2.308
132 HB3 SER 19 2HB SER 19 -5.450 5.734 -1.417
133 HG SER 19 HG SER 19 -5.492 6.733 -3.588
134 H SER 20 H SER 20 -4.784 3.299 -4.425
135 HA SER 20 HA SER 20 -2.566 1.692 -3.563
136 HB2 SER 20 1HB SER 20 -1.683 2.168 -5.838
137 HB3 SER 20 2HB SER 20 -3.354 1.580 -5.838
138 HG SER 20 HG SER 20 -3.112 3.376 -7.229
139 H ILE 21 H ILE 21 -2.974 5.219 -3.944
140 HA ILE 21 HA ILE 21 -0.197 5.928 -3.564
141 HB ILE 21 HB ILE 21 -2.839 7.375 -3.329
142 HG12 ILE 21 1HG1 ILE 21 -1.835 8.846 -5.035
143 HG13 ILE 21 2HG1 ILE 21 -0.321 7.947 -4.962
144 HG21 ILE 21 1HG2 ILE 21 -0.165 8.519 -2.435
145 HG22 ILE 21 2HG2 ILE 21 -1.608 9.493 -2.802
146 HG23 ILE 21 3HG2 ILE 21 -1.646 8.353 -1.460
147 HD11 ILE 21 3HD1 ILE 21 -1.381 5.991 -5.967
148 HD12 ILE 21 1HD1 ILE 21 -2.986 6.763 -5.857
149 HD13 ILE 21 2HD1 ILE 21 -1.746 7.417 -6.946
150 H ARG 22 H ARG 22 -2.877 5.464 -1.290
151 HA ARG 22 HA ARG 22 -1.436 6.231 1.102
152 HB2 ARG 22 1HB ARG 22 -3.913 4.489 0.723
153 HB3 ARG 22 2HB ARG 22 -3.368 5.133 2.266
154 HG2 ARG 22 1HG ARG 22 -4.057 6.952 -0.094
155 HG3 ARG 22 2HG ARG 22 -5.258 6.388 1.052
156 HD2 ARG 22 1HD ARG 22 -4.099 7.442 2.902
157 HD3 ARG 22 2HD ARG 22 -2.782 7.928 1.840
158 HE ARG 22 HE ARG 22 -4.101 9.607 0.880
159 HH11 ARG 22 2HH1 ARG 22 -6.073 7.862 3.198
160 HH12 ARG 22 1HH1 ARG 22 -7.326 9.072 3.168
161 HH21 ARG 22 2HH2 ARG 22 -5.733 11.100 0.899
162 HH22 ARG 22 1HH2 ARG 22 -7.131 10.852 1.902
163 H LEU 23 H LEU 23 -1.897 3.129 -0.548
164 HA LEU 23 HA LEU 23 -0.382 1.555 1.333
165 HB2 LEU 23 1HB LEU 23 -1.926 0.460 -0.111
166 HB3 LEU 23 2HB LEU 23 -1.257 1.222 -1.552
167 HG LEU 23 HG LEU 23 0.797 -0.065 -1.360
168 HD11 LEU 23 1HD1 LEU 23 -0.474 -1.610 0.935
169 HD12 LEU 23 2HD1 LEU 23 0.762 -0.369 1.185
170 HD13 LEU 23 3HD1 LEU 23 1.160 -1.785 0.242
171 HD21 LEU 23 3HD2 LEU 23 -1.075 -0.989 -2.645
172 HD22 LEU 23 1HD2 LEU 23 -1.697 -1.795 -1.186
173 HD23 LEU 23 2HD2 LEU 23 -0.134 -2.281 -1.879
174 H ARG 24 H ARG 24 0.559 3.169 -1.785
175 HA ARG 24 HA ARG 24 3.218 2.223 -1.922
176 HB2 ARG 24 1HB ARG 24 1.887 4.796 -2.836
177 HB3 ARG 24 2HB ARG 24 3.601 4.524 -3.123
178 HG2 ARG 24 1HG ARG 24 3.245 2.618 -4.498
179 HG3 ARG 24 2HG ARG 24 1.559 2.452 -4.007
180 HD2 ARG 24 1HD ARG 24 1.042 4.644 -5.088
181 HD3 ARG 24 2HD ARG 24 2.728 4.740 -5.646
182 HE ARG 24 HE ARG 24 1.693 2.253 -6.510
183 HH11 ARG 24 2HH1 ARG 24 1.103 5.633 -7.227
184 HH12 ARG 24 1HH1 ARG 24 0.491 5.282 -8.821
185 HH21 ARG 24 2HH2 ARG 24 0.919 1.880 -8.562
186 HH22 ARG 24 1HH2 ARG 24 0.401 3.212 -9.552
187 H SER 25 H SER 25 2.140 5.292 -0.466
188 HA SER 25 HA SER 25 4.677 6.039 0.588
189 HB2 SER 25 1HB SER 25 1.815 6.767 1.248
190 HB3 SER 25 2HB SER 25 3.208 7.538 2.062
191 HG SER 25 HG SER 25 2.512 8.709 0.202
192 H HIS 26 H HIS 26 2.136 3.966 2.048
193 HA HIS 26 HA HIS 26 3.315 3.760 4.663
194 HB2 HIS 26 1HB HIS 26 1.137 2.956 4.531
195 HB3 HIS 26 2HB HIS 26 1.401 2.092 3.036
196 HD1 HIS 26 1HD HIS 26 1.818 1.603 6.786
197 HD2 HIS 26 2HD HIS 26 2.500 -0.376 3.138
198 HE1 HIS 26 1HE HIS 26 2.224 -0.832 7.384
199 H ILE 27 H ILE 27 3.960 1.906 1.616
200 HA ILE 27 HA ILE 27 5.758 0.091 2.904
201 HB ILE 27 HB ILE 27 5.907 0.880 -0.019
202 HG12 ILE 27 1HG1 ILE 27 4.394 -1.515 1.086
203 HG13 ILE 27 2HG1 ILE 27 3.581 0.008 0.805
204 HG21 ILE 27 1HG2 ILE 27 7.862 -0.323 0.846
205 HG22 ILE 27 2HG2 ILE 27 6.785 -1.607 1.433
206 HG23 ILE 27 3HG2 ILE 27 6.959 -1.294 -0.305
207 HD11 ILE 27 3HD1 ILE 27 3.265 -1.369 -1.139
208 HD12 ILE 27 1HD1 ILE 27 4.317 0.005 -1.565
209 HD13 ILE 27 2HD1 ILE 27 5.012 -1.610 -1.322
210 H ARG 28 H ARG 28 6.364 3.260 1.383
211 HA ARG 28 HA ARG 28 9.237 3.151 1.684
212 HB2 ARG 28 1HB ARG 28 7.553 5.671 1.752
213 HB3 ARG 28 2HB ARG 28 9.233 5.503 1.248
214 HG2 ARG 28 1HG ARG 28 6.767 4.484 -0.209
215 HG3 ARG 28 2HG ARG 28 7.743 5.859 -0.679
216 HD2 ARG 28 1HD ARG 28 8.773 2.991 -0.562
217 HD3 ARG 28 2HD ARG 28 8.078 3.712 -1.998
218 HE ARG 28 HE ARG 28 10.719 4.334 -0.799
219 HH11 ARG 28 2HH1 ARG 28 8.384 5.408 -3.201
220 HH12 ARG 28 1HH1 ARG 28 9.562 6.425 -3.987
221 HH21 ARG 28 2HH2 ARG 28 12.114 5.621 -1.821
222 HH22 ARG 28 1HH2 ARG 28 11.638 6.539 -3.222
223 H GLU 29 H GLU 29 6.676 4.466 3.856
224 HA GLU 29 HA GLU 29 8.469 5.558 5.771
225 HB2 GLU 29 1HB GLU 29 6.281 6.424 5.184
226 HB3 GLU 29 2HB GLU 29 5.521 4.873 5.522
227 HG2 GLU 29 1HG GLU 29 4.980 6.402 7.172
228 HG3 GLU 29 2HG GLU 29 5.911 5.072 7.856
229 H VAL 30 H VAL 30 6.627 2.482 5.616
230 HA VAL 30 HA VAL 30 7.556 1.762 8.344
231 HB VAL 30 HB VAL 30 5.354 0.515 6.657
232 HG11 VAL 30 1HG1 VAL 30 4.562 -0.404 8.829
233 HG12 VAL 30 2HG1 VAL 30 6.136 -1.048 8.371
234 HG13 VAL 30 3HG1 VAL 30 6.028 0.221 9.613
235 HG21 VAL 30 3HG2 VAL 30 4.735 2.819 7.191
236 HG22 VAL 30 1HG2 VAL 30 3.820 1.733 8.236
237 HG23 VAL 30 2HG2 VAL 30 5.228 2.597 8.887
238 H HIS 31 H HIS 31 7.783 0.565 5.014
239 HA HIS 31 HA HIS 31 9.337 -1.791 6.021
240 HB2 HIS 31 1HB HIS 31 7.951 -1.417 3.358
241 HB3 HIS 31 2HB HIS 31 8.784 -2.863 3.912
242 HD1 HIS 31 1HD HIS 31 7.597 -3.617 6.575
243 HD2 HIS 31 2HD HIS 31 5.388 -1.808 3.501
244 HE1 HIS 31 1HE HIS 31 5.168 -4.196 7.025
245 H GLY 32 H GLY 32 9.766 1.213 4.347
246 HA2 GLY 32 1HA GLY 32 11.661 2.229 3.571
247 HA3 GLY 32 2HA GLY 32 12.589 1.029 4.480
248 H ALA 33 H ALA 33 10.429 0.240 1.780
249 HA ALA 33 HA ALA 33 12.234 -1.544 0.609
250 HB1 ALA 33 1HB ALA 33 9.807 -0.140 -0.587
251 HB2 ALA 33 2HB ALA 33 10.561 -1.618 -1.229
252 HB3 ALA 33 3HB ALA 33 9.804 -1.647 0.372
253 H ALA 34 H ALA 34 12.016 1.897 -0.033
254 HA ALA 34 HA ALA 34 14.457 1.837 -1.572
255 HB1 ALA 34 1HB ALA 34 13.528 3.142 -3.489
256 HB2 ALA 34 2HB ALA 34 12.868 1.498 -3.417
257 HB3 ALA 34 3HB ALA 34 11.885 2.870 -2.867
258 H GLN 35 H GLN 35 15.599 3.558 -0.990
259 HA GLN 35 HA GLN 35 14.680 5.495 0.919
260 HB2 GLN 35 1HB GLN 35 16.906 6.426 0.800
261 HB3 GLN 35 2HB GLN 35 16.974 4.669 0.893
262 HG2 GLN 35 1HG GLN 35 17.429 4.560 -1.559
263 HG3 GLN 35 2HG GLN 35 17.328 6.320 -1.657
264 HE21 GLN 35 1HE2 GLN 35 19.240 3.636 -0.160
265 HE22 GLN 35 2HE2 GLN 35 20.702 4.603 -0.009
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 -19.146 -4.279 -2.210
2 H2 GLY 1 2H GLY 1 -20.057 -4.824 -0.958
3 H3 GLY 1 3H GLY 1 -19.303 -5.888 -1.948
4 HA2 GLY 1 1HA GLY 1 -17.967 -4.008 -0.111
5 HA3 GLY 1 2HA GLY 1 -18.111 -5.761 0.127
6 H SER 2 H SER 2 -15.850 -3.620 -0.545
7 HA SER 2 HA SER 2 -14.030 -3.338 -1.867
8 HB2 SER 2 1HB SER 2 -13.995 -6.364 -2.074
9 HB3 SER 2 2HB SER 2 -12.639 -5.255 -2.354
10 HG SER 2 HG SER 2 -14.075 -5.643 0.080
11 H SER 3 H SER 3 -16.404 -2.930 -3.187
12 HA SER 3 HA SER 3 -16.734 -4.380 -5.604
13 HB2 SER 3 1HB SER 3 -17.801 -1.621 -4.927
14 HB3 SER 3 2HB SER 3 -18.464 -2.773 -6.101
15 HG SER 3 HG SER 3 -19.607 -2.863 -4.143
16 H GLY 4 H GLY 4 -16.389 -3.859 -7.765
17 HA2 GLY 4 1HA GLY 4 -15.283 -2.994 -9.606
18 HA3 GLY 4 2HA GLY 4 -15.205 -1.453 -8.758
19 H SER 5 H SER 5 -13.121 -0.855 -9.180
20 HA SER 5 HA SER 5 -10.841 -2.670 -8.760
21 HB2 SER 5 1HB SER 5 -9.531 -0.757 -9.640
22 HB3 SER 5 2HB SER 5 -10.824 -1.294 -10.726
23 HG SER 5 HG SER 5 -10.765 0.998 -10.511
24 H SER 6 H SER 6 -12.628 -0.737 -6.667
25 HA SER 6 HA SER 6 -10.580 0.645 -5.237
26 HB2 SER 6 1HB SER 6 -13.371 -0.156 -4.342
27 HB3 SER 6 2HB SER 6 -12.321 1.028 -3.540
28 HG SER 6 HG SER 6 -13.831 2.010 -4.988
29 H GLY 7 H GLY 7 -9.659 0.328 -3.241
30 HA2 GLY 7 1HA GLY 7 -9.053 -0.761 -1.271
31 HA3 GLY 7 2HA GLY 7 -9.959 -2.192 -1.734
32 H TYR 8 H TYR 8 -7.017 -1.280 -0.998
33 HA TYR 8 HA TYR 8 -5.545 -3.113 -2.860
34 HB2 TYR 8 1HB TYR 8 -4.613 -0.444 -1.723
35 HB3 TYR 8 2HB TYR 8 -3.661 -1.529 -2.726
36 HD1 TYR 8 2HD TYR 8 -6.676 0.672 -2.702
37 HD2 TYR 8 1HD TYR 8 -3.838 -1.487 -5.129
38 HE1 TYR 8 2HE TYR 8 -7.624 1.727 -4.732
39 HE2 TYR 8 1HE TYR 8 -4.755 -0.383 -7.169
40 HH TYR 8 HH TYR 8 -7.478 1.944 -7.022
41 H VAL 9 H VAL 9 -3.634 -4.156 -1.914
42 HA VAL 9 HA VAL 9 -3.525 -4.112 1.057
43 HB VAL 9 HB VAL 9 -3.538 -6.658 -0.596
44 HG11 VAL 9 1HG1 VAL 9 -2.182 -6.852 1.445
45 HG12 VAL 9 2HG1 VAL 9 -3.485 -6.143 2.415
46 HG13 VAL 9 3HG1 VAL 9 -3.696 -7.737 1.662
47 HG21 VAL 9 3HG2 VAL 9 -5.676 -5.569 1.285
48 HG22 VAL 9 1HG2 VAL 9 -5.834 -5.734 -0.481
49 HG23 VAL 9 2HG2 VAL 9 -5.680 -7.173 0.524
50 H CYS 10 H CYS 10 -1.589 -4.284 1.965
51 HA CYS 10 HA CYS 10 0.801 -3.766 0.503
52 HB2 CYS 10 1HB CYS 10 0.085 -3.071 2.835
53 HB3 CYS 10 2HB CYS 10 0.414 -4.723 3.369
54 H ALA 11 H ALA 11 1.972 -5.138 -0.664
55 HA ALA 11 HA ALA 11 1.773 -8.015 -0.445
56 HB1 ALA 11 1HB ALA 11 3.782 -6.243 -1.905
57 HB2 ALA 11 2HB ALA 11 3.534 -7.981 -2.174
58 HB3 ALA 11 3HB ALA 11 2.237 -6.833 -2.555
59 H LEU 12 H LEU 12 3.359 -5.820 1.510
60 HA LEU 12 HA LEU 12 5.771 -7.386 2.151
61 HB2 LEU 12 1HB LEU 12 4.717 -4.785 3.259
62 HB3 LEU 12 2HB LEU 12 6.284 -5.458 3.554
63 HG LEU 12 HG LEU 12 6.331 -3.570 2.073
64 HD11 LEU 12 1HD1 LEU 12 8.010 -5.283 1.953
65 HD12 LEU 12 2HD1 LEU 12 7.766 -4.438 0.394
66 HD13 LEU 12 3HD1 LEU 12 7.082 -6.091 0.663
67 HD21 LEU 12 3HD2 LEU 12 5.635 -3.471 -0.185
68 HD22 LEU 12 1HD2 LEU 12 4.194 -3.885 0.752
69 HD23 LEU 12 2HD2 LEU 12 5.056 -5.132 -0.184
70 H CYS 13 H CYS 13 3.043 -5.982 3.800
71 HA CYS 13 HA CYS 13 3.208 -7.936 6.059
72 HB2 CYS 13 1HB CYS 13 2.643 -6.299 7.625
73 HB3 CYS 13 2HB CYS 13 4.001 -5.752 6.656
74 H LEU 14 H LEU 14 1.094 -7.299 3.592
75 HA LEU 14 HA LEU 14 -1.007 -7.803 3.106
76 HB2 LEU 14 1HB LEU 14 -0.675 -9.768 5.373
77 HB3 LEU 14 2HB LEU 14 -2.086 -9.722 4.351
78 HG LEU 14 HG LEU 14 -0.637 -11.466 3.651
79 HD11 LEU 14 1HD1 LEU 14 -0.516 -11.039 1.285
80 HD12 LEU 14 2HD1 LEU 14 -0.550 -9.285 1.534
81 HD13 LEU 14 3HD1 LEU 14 -1.977 -10.272 1.931
82 HD21 LEU 14 3HD2 LEU 14 1.544 -11.237 2.727
83 HD22 LEU 14 1HD2 LEU 14 1.563 -10.478 4.328
84 HD23 LEU 14 2HD2 LEU 14 1.510 -9.473 2.859
85 H LYS 15 H LYS 15 -0.608 -5.576 5.070
86 HA LYS 15 HA LYS 15 -3.229 -5.203 6.316
87 HB2 LYS 15 1HB LYS 15 -1.164 -4.019 7.096
88 HB3 LYS 15 2HB LYS 15 -1.067 -3.256 5.492
89 HG2 LYS 15 1HG LYS 15 -3.146 -2.071 5.888
90 HG3 LYS 15 2HG LYS 15 -3.452 -2.975 7.384
91 HD2 LYS 15 1HD LYS 15 -1.510 -1.879 8.430
92 HD3 LYS 15 2HD LYS 15 -1.165 -1.008 6.931
93 HE2 LYS 15 1HE LYS 15 -3.704 -0.799 8.620
94 HE3 LYS 15 2HE LYS 15 -2.391 0.378 8.555
95 HZ1 LYS 15 3HZ LYS 15 -2.947 0.739 6.185
96 HZ2 LYS 15 1HZ LYS 15 -4.238 1.058 7.135
97 HZ3 LYS 15 2HZ LYS 15 -4.184 -0.323 6.266
98 H LYS 16 H LYS 16 -5.003 -4.102 5.536
99 HA LYS 16 HA LYS 16 -5.158 -3.533 2.648
100 HB2 LYS 16 1HB LYS 16 -6.836 -4.896 3.978
101 HB3 LYS 16 2HB LYS 16 -7.407 -3.375 4.677
102 HG2 LYS 16 1HG LYS 16 -8.028 -2.558 2.430
103 HG3 LYS 16 2HG LYS 16 -7.280 -3.983 1.683
104 HD2 LYS 16 1HD LYS 16 -8.899 -5.417 3.011
105 HD3 LYS 16 2HD LYS 16 -9.724 -3.914 3.487
106 HE2 LYS 16 1HE LYS 16 -10.074 -3.383 1.074
107 HE3 LYS 16 2HE LYS 16 -9.243 -4.886 0.633
108 HZ1 LYS 16 3HZ LYS 16 -10.997 -6.124 1.773
109 HZ2 LYS 16 1HZ LYS 16 -11.686 -5.159 0.651
110 HZ3 LYS 16 2HZ LYS 16 -11.753 -4.746 2.224
111 H PHE 17 H PHE 17 -5.871 -1.684 1.725
112 HA PHE 17 HA PHE 17 -5.828 0.909 3.196
113 HB2 PHE 17 1HB PHE 17 -4.164 0.115 0.767
114 HB3 PHE 17 2HB PHE 17 -4.421 1.782 1.256
115 HD1 PHE 17 1HD PHE 17 -2.803 -1.410 2.184
116 HD2 PHE 17 2HD PHE 17 -3.368 2.737 3.227
117 HE1 PHE 17 1HE PHE 17 -1.026 -1.590 3.894
118 HE2 PHE 17 2HE PHE 17 -1.531 2.571 4.891
119 HZ PHE 17 HZ PHE 17 -0.405 0.381 5.262
120 H VAL 18 H VAL 18 -6.818 2.638 2.147
121 HA VAL 18 HA VAL 18 -9.106 2.026 0.498
122 HB VAL 18 HB VAL 18 -9.115 3.730 2.246
123 HG11 VAL 18 1HG1 VAL 18 -6.852 4.710 1.953
124 HG12 VAL 18 2HG1 VAL 18 -7.378 5.465 0.432
125 HG13 VAL 18 3HG1 VAL 18 -8.124 5.933 1.965
126 HG21 VAL 18 3HG2 VAL 18 -10.762 3.838 0.401
127 HG22 VAL 18 1HG2 VAL 18 -10.397 5.424 1.103
128 HG23 VAL 18 2HG2 VAL 18 -9.701 4.974 -0.465
129 H SER 19 H SER 19 -5.898 3.377 -0.257
130 HA SER 19 HA SER 19 -6.523 3.169 -3.146
131 HB2 SER 19 1HB SER 19 -5.960 5.317 -3.707
132 HB3 SER 19 2HB SER 19 -6.854 5.570 -2.201
133 HG SER 19 HG SER 19 -4.973 6.763 -2.172
134 H SER 20 H SER 20 -4.644 3.229 -4.547
135 HA SER 20 HA SER 20 -2.373 1.720 -3.666
136 HB2 SER 20 1HB SER 20 -1.431 2.382 -5.877
137 HB3 SER 20 2HB SER 20 -3.063 1.701 -5.982
138 HG SER 20 HG SER 20 -2.874 3.598 -7.249
139 H ILE 21 H ILE 21 -2.993 5.226 -3.854
140 HA ILE 21 HA ILE 21 -0.273 6.076 -3.413
141 HB ILE 21 HB ILE 21 -2.945 7.434 -2.915
142 HG12 ILE 21 1HG1 ILE 21 -2.528 7.010 -5.279
143 HG13 ILE 21 2HG1 ILE 21 -2.487 8.723 -4.910
144 HG21 ILE 21 1HG2 ILE 21 -1.603 9.568 -2.813
145 HG22 ILE 21 2HG2 ILE 21 -1.471 8.507 -1.409
146 HG23 ILE 21 3HG2 ILE 21 -0.150 8.556 -2.600
147 HD11 ILE 21 3HD1 ILE 21 0.009 8.686 -5.000
148 HD12 ILE 21 1HD1 ILE 21 -0.052 6.956 -5.418
149 HD13 ILE 21 2HD1 ILE 21 -0.744 8.162 -6.512
150 H ARG 22 H ARG 22 -2.985 5.508 -1.104
151 HA ARG 22 HA ARG 22 -1.432 6.230 1.231
152 HB2 ARG 22 1HB ARG 22 -3.786 4.297 1.088
153 HB3 ARG 22 2HB ARG 22 -3.142 5.064 2.531
154 HG2 ARG 22 1HG ARG 22 -4.769 6.290 0.319
155 HG3 ARG 22 2HG ARG 22 -5.087 6.271 2.043
156 HD2 ARG 22 1HD ARG 22 -3.035 7.921 0.560
157 HD3 ARG 22 2HD ARG 22 -4.547 8.492 1.263
158 HE ARG 22 HE ARG 22 -3.164 7.339 3.401
159 HH11 ARG 22 2HH1 ARG 22 -2.575 10.052 1.266
160 HH12 ARG 22 1HH1 ARG 22 -1.597 10.883 2.444
161 HH21 ARG 22 2HH2 ARG 22 -1.903 8.452 4.856
162 HH22 ARG 22 1HH2 ARG 22 -1.240 9.999 4.424
163 H LEU 23 H LEU 23 -1.793 3.161 -0.495
164 HA LEU 23 HA LEU 23 -0.237 1.611 1.357
165 HB2 LEU 23 1HB LEU 23 -1.824 0.540 -0.072
166 HB3 LEU 23 2HB LEU 23 -1.130 1.263 -1.523
167 HG LEU 23 HG LEU 23 0.892 -0.057 -1.297
168 HD11 LEU 23 1HD1 LEU 23 0.859 -0.301 1.251
169 HD12 LEU 23 2HD1 LEU 23 1.218 -1.753 0.352
170 HD13 LEU 23 3HD1 LEU 23 -0.410 -1.515 1.036
171 HD21 LEU 23 3HD2 LEU 23 -1.633 -1.744 -1.081
172 HD22 LEU 23 1HD2 LEU 23 -0.078 -2.275 -1.761
173 HD23 LEU 23 2HD2 LEU 23 -0.996 -0.986 -2.558
174 H ARG 24 H ARG 24 0.656 3.270 -1.745
175 HA ARG 24 HA ARG 24 3.297 2.299 -1.968
176 HB2 ARG 24 1HB ARG 24 1.955 4.898 -2.789
177 HB3 ARG 24 2HB ARG 24 3.668 4.648 -3.110
178 HG2 ARG 24 1HG ARG 24 3.302 2.773 -4.527
179 HG3 ARG 24 2HG ARG 24 1.626 2.584 -4.012
180 HD2 ARG 24 1HD ARG 24 1.072 4.787 -5.033
181 HD3 ARG 24 2HD ARG 24 2.750 4.926 -5.603
182 HE ARG 24 HE ARG 24 1.708 2.443 -6.512
183 HH11 ARG 24 2HH1 ARG 24 1.211 5.843 -7.193
184 HH12 ARG 24 1HH1 ARG 24 0.619 5.528 -8.800
185 HH21 ARG 24 2HH2 ARG 24 0.965 2.114 -8.581
186 HH22 ARG 24 1HH2 ARG 24 0.496 3.471 -9.563
187 H SER 25 H SER 25 2.285 5.318 -0.382
188 HA SER 25 HA SER 25 4.897 5.938 0.640
189 HB2 SER 25 1HB SER 25 2.092 6.885 1.303
190 HB3 SER 25 2HB SER 25 3.555 7.582 2.054
191 HG SER 25 HG SER 25 2.897 8.743 0.176
192 H HIS 26 H HIS 26 2.208 4.036 2.089
193 HA HIS 26 HA HIS 26 3.355 3.754 4.705
194 HB2 HIS 26 1HB HIS 26 1.172 2.953 4.514
195 HB3 HIS 26 2HB HIS 26 1.473 2.109 3.012
196 HD1 HIS 26 1HD HIS 26 1.805 1.572 6.768
197 HD2 HIS 26 2HD HIS 26 2.574 -0.362 3.109
198 HE1 HIS 26 1HE HIS 26 2.153 -0.876 7.339
199 H ILE 27 H ILE 27 3.959 1.907 1.650
200 HA ILE 27 HA ILE 27 5.781 0.091 2.895
201 HB ILE 27 HB ILE 27 5.798 0.924 -0.024
202 HG12 ILE 27 1HG1 ILE 27 4.482 -1.563 1.116
203 HG13 ILE 27 2HG1 ILE 27 3.573 -0.083 0.939
204 HG21 ILE 27 1HG2 ILE 27 7.858 -0.186 0.706
205 HG22 ILE 27 2HG2 ILE 27 6.882 -1.537 1.326
206 HG23 ILE 27 3HG2 ILE 27 6.938 -1.182 -0.413
207 HD11 ILE 27 3HD1 ILE 27 3.213 -1.477 -1.011
208 HD12 ILE 27 1HD1 ILE 27 4.066 0.012 -1.471
209 HD13 ILE 27 2HD1 ILE 27 4.949 -1.523 -1.353
210 H ARG 28 H ARG 28 6.343 3.328 1.507
211 HA ARG 28 HA ARG 28 9.238 3.145 1.812
212 HB2 ARG 28 1HB ARG 28 7.602 5.694 1.682
213 HB3 ARG 28 2HB ARG 28 9.307 5.464 1.302
214 HG2 ARG 28 1HG ARG 28 6.892 4.655 -0.318
215 HG3 ARG 28 2HG ARG 28 8.242 5.687 -0.785
216 HD2 ARG 28 1HD ARG 28 9.697 3.581 -0.601
217 HD3 ARG 28 2HD ARG 28 8.190 2.658 -0.475
218 HE ARG 28 HE ARG 28 9.360 3.854 -2.865
219 HH11 ARG 28 2HH1 ARG 28 6.193 2.795 -1.650
220 HH12 ARG 28 1HH1 ARG 28 5.754 2.260 -3.254
221 HH21 ARG 28 2HH2 ARG 28 8.665 3.353 -4.698
222 HH22 ARG 28 1HH2 ARG 28 7.136 2.517 -4.975
223 H GLU 29 H GLU 29 6.676 4.475 3.890
224 HA GLU 29 HA GLU 29 8.537 5.485 5.882
225 HB2 GLU 29 1HB GLU 29 5.534 5.001 5.881
226 HB3 GLU 29 2HB GLU 29 6.391 5.716 7.241
227 HG2 GLU 29 1HG GLU 29 6.395 6.900 4.430
228 HG3 GLU 29 2HG GLU 29 5.287 7.366 5.714
229 H VAL 30 H VAL 30 6.712 2.443 5.603
230 HA VAL 30 HA VAL 30 7.610 1.636 8.323
231 HB VAL 30 HB VAL 30 5.402 0.458 6.598
232 HG11 VAL 30 1HG1 VAL 30 6.057 0.098 9.551
233 HG12 VAL 30 2HG1 VAL 30 4.591 -0.499 8.743
234 HG13 VAL 30 3HG1 VAL 30 6.164 -1.146 8.282
235 HG21 VAL 30 3HG2 VAL 30 5.285 2.488 8.876
236 HG22 VAL 30 1HG2 VAL 30 4.813 2.765 7.184
237 HG23 VAL 30 2HG2 VAL 30 3.873 1.660 8.186
238 H HIS 31 H HIS 31 7.847 0.541 4.957
239 HA HIS 31 HA HIS 31 9.423 -1.833 5.897
240 HB2 HIS 31 1HB HIS 31 7.965 -1.459 3.278
241 HB3 HIS 31 2HB HIS 31 8.787 -2.912 3.827
242 HD1 HIS 31 1HD HIS 31 7.626 -3.603 6.532
243 HD2 HIS 31 2HD HIS 31 5.404 -1.828 3.448
244 HE1 HIS 31 1HE HIS 31 5.198 -4.152 7.016
245 H GLY 32 H GLY 32 9.794 1.186 4.312
246 HA2 GLY 32 1HA GLY 32 11.671 2.258 3.609
247 HA3 GLY 32 2HA GLY 32 12.624 0.957 4.331
248 H ALA 33 H ALA 33 10.367 0.414 1.611
249 HA ALA 33 HA ALA 33 12.294 -0.884 0.032
250 HB1 ALA 33 1HB ALA 33 9.616 0.313 -0.786
251 HB2 ALA 33 2HB ALA 33 10.544 -0.901 -1.688
252 HB3 ALA 33 3HB ALA 33 9.875 -1.316 -0.101
253 H ALA 34 H ALA 34 13.517 -0.320 -1.495
254 HA ALA 34 HA ALA 34 14.289 2.448 -1.933
255 HB1 ALA 34 1HB ALA 34 15.444 -0.125 -3.080
256 HB2 ALA 34 2HB ALA 34 16.226 1.471 -3.073
257 HB3 ALA 34 3HB ALA 34 15.921 0.635 -1.541
258 H GLN 35 H GLN 35 11.781 1.089 -3.305
259 HA GLN 35 HA GLN 35 12.148 1.538 -6.160
260 HB2 GLN 35 1HB GLN 35 10.619 -0.175 -5.251
261 HB3 GLN 35 2HB GLN 35 9.664 1.079 -4.462
262 HG2 GLN 35 1HG GLN 35 9.241 2.063 -6.802
263 HG3 GLN 35 2HG GLN 35 10.013 0.618 -7.457
264 HE21 GLN 35 1HE2 GLN 35 8.879 -1.504 -7.077
265 HE22 GLN 35 2HE2 GLN 35 7.160 -1.475 -6.700
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -10.384 -14.148 -13.730
2 H2 GLY 1 2H GLY 1 -10.027 -13.113 -12.509
3 H3 GLY 1 3H GLY 1 -9.274 -12.962 -13.956
4 HA2 GLY 1 1HA GLY 1 -11.346 -12.391 -15.047
5 HA3 GLY 1 2HA GLY 1 -12.151 -12.536 -13.475
6 H SER 2 H SER 2 -12.849 -10.341 -13.647
7 HA SER 2 HA SER 2 -10.937 -8.138 -13.777
8 HB2 SER 2 1HB SER 2 -12.960 -6.741 -13.455
9 HB3 SER 2 2HB SER 2 -13.089 -7.874 -14.808
10 HG SER 2 HG SER 2 -14.987 -7.848 -13.505
11 H SER 3 H SER 3 -10.939 -6.403 -12.164
12 HA SER 3 HA SER 3 -11.109 -7.335 -9.322
13 HB2 SER 3 1HB SER 3 -8.949 -5.594 -10.569
14 HB3 SER 3 2HB SER 3 -9.131 -5.941 -8.842
15 HG SER 3 HG SER 3 -8.636 -7.833 -10.920
16 H GLY 4 H GLY 4 -11.495 -5.694 -7.747
17 HA2 GLY 4 1HA GLY 4 -13.496 -3.770 -8.486
18 HA3 GLY 4 2HA GLY 4 -12.765 -3.960 -6.898
19 H SER 5 H SER 5 -13.512 -1.500 -8.088
20 HA SER 5 HA SER 5 -11.121 -0.099 -9.035
21 HB2 SER 5 1HB SER 5 -12.676 1.823 -9.202
22 HB3 SER 5 2HB SER 5 -13.250 0.381 -10.052
23 HG SER 5 HG SER 5 -14.905 1.373 -8.789
24 H SER 6 H SER 6 -12.021 -0.952 -5.968
25 HA SER 6 HA SER 6 -10.384 1.158 -4.712
26 HB2 SER 6 1HB SER 6 -12.765 1.959 -4.647
27 HB3 SER 6 2HB SER 6 -13.190 0.505 -3.722
28 HG SER 6 HG SER 6 -12.738 2.346 -2.391
29 H GLY 7 H GLY 7 -9.711 0.593 -2.557
30 HA2 GLY 7 1HA GLY 7 -9.078 -0.839 -0.837
31 HA3 GLY 7 2HA GLY 7 -10.021 -2.143 -1.537
32 H TYR 8 H TYR 8 -6.984 -1.182 -0.818
33 HA TYR 8 HA TYR 8 -5.623 -2.968 -2.806
34 HB2 TYR 8 1HB TYR 8 -4.616 -0.308 -1.710
35 HB3 TYR 8 2HB TYR 8 -3.768 -1.362 -2.830
36 HD1 TYR 8 2HD TYR 8 -6.716 0.881 -2.439
37 HD2 TYR 8 1HD TYR 8 -4.247 -1.329 -5.202
38 HE1 TYR 8 2HE TYR 8 -7.853 1.998 -4.345
39 HE2 TYR 8 1HE TYR 8 -5.356 -0.181 -7.109
40 HH TYR 8 HH TYR 8 -6.957 1.331 -7.757
41 H VAL 9 H VAL 9 -3.743 -4.125 -1.951
42 HA VAL 9 HA VAL 9 -3.478 -4.034 1.016
43 HB VAL 9 HB VAL 9 -3.691 -6.582 -0.616
44 HG11 VAL 9 1HG1 VAL 9 -3.460 -6.080 2.385
45 HG12 VAL 9 2HG1 VAL 9 -3.813 -7.655 1.642
46 HG13 VAL 9 3HG1 VAL 9 -2.263 -6.871 1.349
47 HG21 VAL 9 3HG2 VAL 9 -5.686 -5.337 1.327
48 HG22 VAL 9 1HG2 VAL 9 -5.921 -5.538 -0.424
49 HG23 VAL 9 2HG2 VAL 9 -5.813 -6.958 0.615
50 H CYS 10 H CYS 10 -1.525 -4.283 1.873
51 HA CYS 10 HA CYS 10 0.862 -3.899 0.383
52 HB2 CYS 10 1HB CYS 10 0.349 -3.271 2.753
53 HB3 CYS 10 2HB CYS 10 0.441 -4.982 3.192
54 H ALA 11 H ALA 11 2.364 -5.222 -0.435
55 HA ALA 11 HA ALA 11 1.795 -8.101 -0.659
56 HB1 ALA 11 1HB ALA 11 4.032 -6.394 -1.835
57 HB2 ALA 11 2HB ALA 11 3.656 -8.076 -2.259
58 HB3 ALA 11 3HB ALA 11 2.490 -6.793 -2.630
59 H LEU 12 H LEU 12 3.359 -6.200 1.631
60 HA LEU 12 HA LEU 12 5.477 -8.214 2.249
61 HB2 LEU 12 1HB LEU 12 5.261 -5.320 3.142
62 HB3 LEU 12 2HB LEU 12 6.570 -6.442 3.436
63 HG LEU 12 HG LEU 12 6.848 -6.509 0.831
64 HD11 LEU 12 1HD1 LEU 12 5.295 -3.889 1.150
65 HD12 LEU 12 2HD1 LEU 12 4.840 -5.244 0.108
66 HD13 LEU 12 3HD1 LEU 12 6.286 -4.317 -0.256
67 HD21 LEU 12 3HD2 LEU 12 8.394 -5.476 2.454
68 HD22 LEU 12 1HD2 LEU 12 7.389 -4.015 2.450
69 HD23 LEU 12 2HD2 LEU 12 8.273 -4.492 0.980
70 H CYS 13 H CYS 13 3.233 -6.046 3.961
71 HA CYS 13 HA CYS 13 3.135 -7.959 6.246
72 HB2 CYS 13 1HB CYS 13 2.540 -6.220 7.702
73 HB3 CYS 13 2HB CYS 13 4.002 -5.806 6.824
74 H LEU 14 H LEU 14 1.246 -7.346 3.634
75 HA LEU 14 HA LEU 14 -0.848 -7.841 3.007
76 HB2 LEU 14 1HB LEU 14 -1.023 -9.669 5.391
77 HB3 LEU 14 2HB LEU 14 -1.874 -9.791 3.855
78 HG LEU 14 HG LEU 14 1.102 -10.239 4.340
79 HD11 LEU 14 1HD1 LEU 14 -1.116 -12.102 3.401
80 HD12 LEU 14 2HD1 LEU 14 -0.415 -12.059 5.035
81 HD13 LEU 14 3HD1 LEU 14 0.592 -12.530 3.658
82 HD21 LEU 14 3HD2 LEU 14 -0.433 -10.268 1.706
83 HD22 LEU 14 1HD2 LEU 14 1.189 -10.960 1.940
84 HD23 LEU 14 2HD2 LEU 14 0.944 -9.229 2.138
85 H LYS 15 H LYS 15 -0.579 -5.576 4.935
86 HA LYS 15 HA LYS 15 -3.206 -5.245 6.166
87 HB2 LYS 15 1HB LYS 15 -1.153 -4.133 7.026
88 HB3 LYS 15 2HB LYS 15 -0.991 -3.305 5.460
89 HG2 LYS 15 1HG LYS 15 -3.024 -2.071 5.835
90 HG3 LYS 15 2HG LYS 15 -3.425 -3.031 7.278
91 HD2 LYS 15 1HD LYS 15 -1.465 -2.055 8.433
92 HD3 LYS 15 2HD LYS 15 -1.086 -1.097 6.998
93 HE2 LYS 15 1HE LYS 15 -3.636 -0.963 8.676
94 HE3 LYS 15 2HE LYS 15 -2.323 0.212 8.668
95 HZ1 LYS 15 3HZ LYS 15 -2.874 0.684 6.316
96 HZ2 LYS 15 1HZ LYS 15 -4.162 0.968 7.282
97 HZ3 LYS 15 2HZ LYS 15 -4.120 -0.372 6.353
98 H LYS 16 H LYS 16 -4.978 -4.141 5.410
99 HA LYS 16 HA LYS 16 -5.101 -3.404 2.564
100 HB2 LYS 16 1HB LYS 16 -6.794 -4.851 3.665
101 HB3 LYS 16 2HB LYS 16 -7.320 -3.474 4.636
102 HG2 LYS 16 1HG LYS 16 -8.031 -2.266 2.639
103 HG3 LYS 16 2HG LYS 16 -7.338 -3.496 1.576
104 HD2 LYS 16 1HD LYS 16 -9.605 -3.998 3.548
105 HD3 LYS 16 2HD LYS 16 -9.828 -3.593 1.837
106 HE2 LYS 16 1HE LYS 16 -8.534 -5.618 1.186
107 HE3 LYS 16 2HE LYS 16 -8.356 -6.051 2.891
108 HZ1 LYS 16 3HZ LYS 16 -10.950 -5.826 1.458
109 HZ2 LYS 16 1HZ LYS 16 -10.783 -6.221 3.035
110 HZ3 LYS 16 2HZ LYS 16 -10.221 -7.224 1.879
111 H PHE 17 H PHE 17 -5.778 -1.508 1.734
112 HA PHE 17 HA PHE 17 -5.750 1.004 3.332
113 HB2 PHE 17 1HB PHE 17 -4.113 0.324 0.850
114 HB3 PHE 17 2HB PHE 17 -4.342 1.963 1.441
115 HD1 PHE 17 1HD PHE 17 -2.707 -1.279 2.113
116 HD2 PHE 17 2HD PHE 17 -3.297 2.768 3.488
117 HE1 PHE 17 1HE PHE 17 -0.894 -1.577 3.776
118 HE2 PHE 17 2HE PHE 17 -1.454 2.479 5.127
119 HZ PHE 17 HZ PHE 17 -0.308 0.282 5.313
120 H VAL 18 H VAL 18 -6.751 2.769 2.367
121 HA VAL 18 HA VAL 18 -9.071 2.277 0.748
122 HB VAL 18 HB VAL 18 -8.959 3.937 2.532
123 HG11 VAL 18 1HG1 VAL 18 -6.661 4.829 2.223
124 HG12 VAL 18 2HG1 VAL 18 -7.174 5.628 0.720
125 HG13 VAL 18 3HG1 VAL 18 -7.867 6.111 2.272
126 HG21 VAL 18 3HG2 VAL 18 -9.551 5.315 -0.110
127 HG22 VAL 18 1HG2 VAL 18 -10.644 4.190 0.729
128 HG23 VAL 18 2HG2 VAL 18 -10.189 5.724 1.492
129 H SER 19 H SER 19 -5.826 3.326 -0.098
130 HA SER 19 HA SER 19 -6.522 3.495 -2.978
131 HB2 SER 19 1HB SER 19 -6.862 5.749 -2.264
132 HB3 SER 19 2HB SER 19 -5.371 5.746 -1.312
133 HG SER 19 HG SER 19 -5.322 6.782 -3.470
134 H SER 20 H SER 20 -4.758 3.269 -4.378
135 HA SER 20 HA SER 20 -2.528 1.670 -3.559
136 HB2 SER 20 1HB SER 20 -1.672 2.160 -5.835
137 HB3 SER 20 2HB SER 20 -3.353 1.604 -5.833
138 HG SER 20 HG SER 20 -3.082 3.421 -7.195
139 H ILE 21 H ILE 21 -2.961 5.194 -3.848
140 HA ILE 21 HA ILE 21 -0.166 5.882 -3.600
141 HB ILE 21 HB ILE 21 -2.635 7.508 -2.878
142 HG12 ILE 21 1HG1 ILE 21 -2.837 6.875 -5.195
143 HG13 ILE 21 2HG1 ILE 21 -2.402 8.567 -5.090
144 HG21 ILE 21 1HG2 ILE 21 -0.703 8.516 -1.865
145 HG22 ILE 21 2HG2 ILE 21 0.257 8.330 -3.345
146 HG23 ILE 21 3HG2 ILE 21 -1.111 9.468 -3.293
147 HD11 ILE 21 3HD1 ILE 21 -0.525 6.278 -5.827
148 HD12 ILE 21 1HD1 ILE 21 -1.200 7.497 -6.916
149 HD13 ILE 21 2HD1 ILE 21 -0.034 7.985 -5.675
150 H ARG 22 H ARG 22 -2.761 5.502 -1.197
151 HA ARG 22 HA ARG 22 -1.215 6.217 1.146
152 HB2 ARG 22 1HB ARG 22 -3.641 4.385 0.850
153 HB3 ARG 22 2HB ARG 22 -3.015 4.984 2.375
154 HG2 ARG 22 1HG ARG 22 -4.068 6.777 0.138
155 HG3 ARG 22 2HG ARG 22 -5.034 6.202 1.487
156 HD2 ARG 22 1HD ARG 22 -2.616 7.968 1.676
157 HD3 ARG 22 2HD ARG 22 -4.295 8.499 1.803
158 HE ARG 22 HE ARG 22 -4.048 6.565 3.779
159 HH11 ARG 22 2HH1 ARG 22 -2.464 9.633 3.178
160 HH12 ARG 22 1HH1 ARG 22 -2.125 9.893 4.867
161 HH21 ARG 22 2HH2 ARG 22 -3.571 6.956 5.920
162 HH22 ARG 22 1HH2 ARG 22 -2.744 8.418 6.369
163 H LEU 23 H LEU 23 -1.785 3.120 -0.514
164 HA LEU 23 HA LEU 23 -0.251 1.503 1.286
165 HB2 LEU 23 1HB LEU 23 -1.881 0.478 -0.112
166 HB3 LEU 23 2HB LEU 23 -1.233 1.224 -1.570
167 HG LEU 23 HG LEU 23 0.769 -0.147 -1.466
168 HD11 LEU 23 1HD1 LEU 23 0.819 -0.461 1.077
169 HD12 LEU 23 2HD1 LEU 23 1.134 -1.882 0.110
170 HD13 LEU 23 3HD1 LEU 23 -0.468 -1.656 0.869
171 HD21 LEU 23 3HD2 LEU 23 -1.188 -0.985 -2.679
172 HD22 LEU 23 1HD2 LEU 23 -1.784 -1.774 -1.202
173 HD23 LEU 23 2HD2 LEU 23 -0.271 -2.320 -1.959
174 H ARG 24 H ARG 24 0.645 3.089 -1.857
175 HA ARG 24 HA ARG 24 3.308 2.109 -1.968
176 HB2 ARG 24 1HB ARG 24 1.975 4.634 -3.002
177 HB3 ARG 24 2HB ARG 24 3.680 4.310 -3.321
178 HG2 ARG 24 1HG ARG 24 3.230 2.357 -4.597
179 HG3 ARG 24 2HG ARG 24 1.561 2.249 -4.030
180 HD2 ARG 24 1HD ARG 24 1.054 4.414 -5.160
181 HD3 ARG 24 2HD ARG 24 2.712 4.447 -5.797
182 HE ARG 24 HE ARG 24 1.518 1.957 -6.507
183 HH11 ARG 24 2HH1 ARG 24 1.188 5.329 -7.399
184 HH12 ARG 24 1HH1 ARG 24 0.529 4.944 -8.965
185 HH21 ARG 24 2HH2 ARG 24 0.691 1.538 -8.528
186 HH22 ARG 24 1HH2 ARG 24 0.266 2.853 -9.583
187 H SER 25 H SER 25 2.119 5.126 -0.518
188 HA SER 25 HA SER 25 4.659 5.973 0.525
189 HB2 SER 25 1HB SER 25 2.643 7.421 0.157
190 HB3 SER 25 2HB SER 25 1.852 6.632 1.535
191 HG SER 25 HG SER 25 2.924 8.618 2.088
192 H HIS 26 H HIS 26 2.099 3.898 1.986
193 HA HIS 26 HA HIS 26 3.271 3.617 4.578
194 HB2 HIS 26 1HB HIS 26 1.163 2.697 4.433
195 HB3 HIS 26 2HB HIS 26 1.441 1.940 2.884
196 HD1 HIS 26 1HD HIS 26 1.995 1.258 6.595
197 HD2 HIS 26 2HD HIS 26 2.610 -0.505 2.824
198 HE1 HIS 26 1HE HIS 26 2.490 -1.185 7.053
199 H ILE 27 H ILE 27 3.946 1.765 1.545
200 HA ILE 27 HA ILE 27 5.836 0.014 2.765
201 HB ILE 27 HB ILE 27 5.801 0.966 -0.121
202 HG12 ILE 27 1HG1 ILE 27 4.584 -1.600 1.004
203 HG13 ILE 27 2HG1 ILE 27 3.644 -0.153 0.723
204 HG21 ILE 27 1HG2 ILE 27 7.068 -1.079 -0.596
205 HG22 ILE 27 2HG2 ILE 27 7.930 -0.122 0.599
206 HG23 ILE 27 3HG2 ILE 27 6.995 -1.550 1.116
207 HD11 ILE 27 3HD1 ILE 27 3.341 -1.571 -1.171
208 HD12 ILE 27 1HD1 ILE 27 4.323 -0.184 -1.688
209 HD13 ILE 27 2HD1 ILE 27 5.084 -1.766 -1.401
210 H ARG 28 H ARG 28 6.239 3.345 1.596
211 HA ARG 28 HA ARG 28 9.155 3.277 1.960
212 HB2 ARG 28 1HB ARG 28 7.414 5.739 1.788
213 HB3 ARG 28 2HB ARG 28 9.138 5.584 1.458
214 HG2 ARG 28 1HG ARG 28 6.800 4.733 -0.249
215 HG3 ARG 28 2HG ARG 28 8.143 5.797 -0.661
216 HD2 ARG 28 1HD ARG 28 9.601 3.658 -0.397
217 HD3 ARG 28 2HD ARG 28 8.071 2.770 -0.460
218 HE ARG 28 HE ARG 28 9.461 4.132 -2.645
219 HH11 ARG 28 2HH1 ARG 28 6.249 2.973 -1.754
220 HH12 ARG 28 1HH1 ARG 28 5.890 2.541 -3.405
221 HH21 ARG 28 2HH2 ARG 28 8.822 3.726 -4.714
222 HH22 ARG 28 1HH2 ARG 28 7.253 3.055 -5.033
223 H GLU 29 H GLU 29 6.391 4.322 3.990
224 HA GLU 29 HA GLU 29 7.897 5.725 5.923
225 HB2 GLU 29 1HB GLU 29 5.611 6.173 5.355
226 HB3 GLU 29 2HB GLU 29 5.149 4.499 5.610
227 HG2 GLU 29 1HG GLU 29 4.274 5.811 7.290
228 HG3 GLU 29 2HG GLU 29 5.424 4.663 7.965
229 H VAL 30 H VAL 30 6.855 2.322 5.758
230 HA VAL 30 HA VAL 30 8.271 1.800 8.360
231 HB VAL 30 HB VAL 30 6.002 1.960 8.721
232 HG11 VAL 30 1HG1 VAL 30 4.314 0.347 7.789
233 HG12 VAL 30 2HG1 VAL 30 4.861 1.638 6.740
234 HG13 VAL 30 3HG1 VAL 30 5.495 -0.019 6.507
235 HG21 VAL 30 3HG2 VAL 30 7.156 0.129 9.969
236 HG22 VAL 30 1HG2 VAL 30 5.411 -0.147 9.766
237 HG23 VAL 30 2HG2 VAL 30 6.554 -1.028 8.747
238 H HIS 31 H HIS 31 7.754 0.577 5.125
239 HA HIS 31 HA HIS 31 9.514 -1.761 5.820
240 HB2 HIS 31 1HB HIS 31 8.057 -1.311 3.219
241 HB3 HIS 31 2HB HIS 31 8.949 -2.731 3.726
242 HD1 HIS 31 1HD HIS 31 7.714 -3.392 6.507
243 HD2 HIS 31 2HD HIS 31 5.595 -2.109 3.119
244 HE1 HIS 31 1HE HIS 31 5.343 -4.239 6.811
245 H GLY 32 H GLY 32 9.677 1.374 4.542
246 HA2 GLY 32 1HA GLY 32 11.354 2.626 3.660
247 HA3 GLY 32 2HA GLY 32 12.461 1.515 4.477
248 H ALA 33 H ALA 33 10.343 0.717 1.660
249 HA ALA 33 HA ALA 33 12.499 -0.438 0.224
250 HB1 ALA 33 1HB ALA 33 9.719 0.330 -0.742
251 HB2 ALA 33 2HB ALA 33 10.812 -0.850 -1.484
252 HB3 ALA 33 3HB ALA 33 10.126 -1.186 0.113
253 H ALA 34 H ALA 34 13.085 0.045 -1.838
254 HA ALA 34 HA ALA 34 12.922 2.717 -3.008
255 HB1 ALA 34 1HB ALA 34 15.609 1.582 -2.101
256 HB2 ALA 34 2HB ALA 34 15.379 3.030 -3.106
257 HB3 ALA 34 3HB ALA 34 14.794 3.013 -1.432
258 H GLN 35 H GLN 35 12.681 2.448 -5.086
259 HA GLN 35 HA GLN 35 14.099 0.426 -6.679
260 HB2 GLN 35 1HB GLN 35 12.085 -0.482 -7.697
261 HB3 GLN 35 2HB GLN 35 12.116 -0.802 -5.967
262 HG2 GLN 35 1HG GLN 35 10.511 1.087 -5.598
263 HG3 GLN 35 2HG GLN 35 10.459 1.361 -7.345
264 HE21 GLN 35 1HE2 GLN 35 9.632 -0.525 -8.722
265 HE22 GLN 35 2HE2 GLN 35 8.440 -1.580 -7.976