Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
455711 | 2kpb RC | 16551 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 2.333 -0.143 0.343
2 HA VAL 1 HA VAL 1 2.129 0.470 -2.432
3 HB VAL 1 HB VAL 1 4.453 -0.228 -2.596
4 HG11 VAL 1 1HG1 VAL 1 3.739 1.403 -0.173
5 HG12 VAL 1 2HG1 VAL 1 5.399 1.219 -0.744
6 HG13 VAL 1 3HG1 VAL 1 4.186 1.972 -1.781
7 HG21 VAL 1 3HG2 VAL 1 4.108 -1.237 0.226
8 HG22 VAL 1 1HG2 VAL 1 4.362 -2.224 -1.214
9 HG23 VAL 1 2HG2 VAL 1 5.637 -1.145 -0.647
10 H SER 2 H SER 2 1.843 -2.432 -0.555
11 HA SER 2 HA SER 2 2.208 -4.220 -2.784
12 HB2 SER 2 2HB SER 2 2.782 -4.916 -0.488
13 HB3 SER 2 3HB SER 2 1.089 -4.760 -0.021
14 HG SER 2 HG SER 2 0.813 -6.697 -0.752
15 H VAL 3 H VAL 3 -0.371 -2.403 -1.457
16 HA VAL 3 HA VAL 3 -2.480 -4.084 -2.492
17 HB VAL 3 HB VAL 3 -3.992 -2.267 -1.793
18 HG11 VAL 3 1HG1 VAL 3 -3.723 -2.555 0.551
19 HG12 VAL 3 2HG1 VAL 3 -3.156 -4.039 -0.217
20 HG13 VAL 3 3HG1 VAL 3 -1.994 -2.855 0.381
21 HG21 VAL 3 3HG2 VAL 3 -3.121 -0.202 -1.882
22 HG22 VAL 3 1HG2 VAL 3 -2.498 -0.559 -0.271
23 HG23 VAL 3 2HG2 VAL 3 -1.469 -0.788 -1.685
24 H ASP 4 H ASP 4 -0.527 -1.486 -3.624
25 HA ASP 4 HA ASP 4 -2.203 -0.335 -5.544
26 HB2 ASP 4 2HB ASP 4 0.545 -0.178 -4.811
27 HB3 ASP 4 3HB ASP 4 0.463 -0.401 -6.557
28 HA PRO 5 HA PRO 5 -0.388 -3.566 -8.666
29 HB2 PRO 5 2HB PRO 5 0.822 -5.745 -7.590
30 HB3 PRO 5 3HB PRO 5 1.697 -4.265 -7.998
31 HG2 PRO 5 2HG PRO 5 0.679 -5.191 -5.340
32 HG3 PRO 5 3HG PRO 5 2.236 -4.446 -5.744
33 HD2 PRO 5 2HD PRO 5 0.195 -3.049 -4.642
34 HD3 PRO 5 3HD PRO 5 1.353 -2.317 -5.771
35 H PHE 6 H PHE 6 -1.642 -4.709 -5.579
36 HA PHE 6 HA PHE 6 -2.849 -7.078 -6.435
37 HB2 PHE 6 2HB PHE 6 -2.550 -6.137 -4.042
38 HB3 PHE 6 3HB PHE 6 -4.078 -5.312 -4.333
39 HD1 PHE 6 HD2 PHE 6 -6.147 -6.556 -4.526
40 HD2 PHE 6 HD1 PHE 6 -2.450 -8.532 -3.790
41 HE1 PHE 6 HE2 PHE 6 -7.368 -8.589 -3.872
42 HE2 PHE 6 HE1 PHE 6 -3.665 -10.569 -3.135
43 HZ PHE 6 HZ PHE 6 -6.127 -10.599 -3.174
44 H TYR 7 H TYR 7 -4.466 -3.946 -5.868
45 HA TYR 7 HA TYR 7 -6.854 -4.713 -7.182
46 HB2 TYR 7 2HB TYR 7 -7.658 -2.693 -6.521
47 HB3 TYR 7 3HB TYR 7 -6.223 -2.704 -5.502
48 HD1 TYR 7 HD1 TYR 7 -4.260 -1.348 -6.104
49 HD2 TYR 7 HD2 TYR 7 -7.851 -1.183 -8.381
50 HE1 TYR 7 HE1 TYR 7 -3.492 0.739 -7.154
51 HE2 TYR 7 HE2 TYR 7 -7.093 0.904 -9.437
52 HH TYR 7 HH TYR 7 -4.008 1.952 -9.434
53 H GLU 8 H GLU 8 -3.828 -3.584 -8.321
54 HA GLU 8 HA GLU 8 -4.757 -2.433 -10.771
55 HB2 GLU 8 2HB GLU 8 -2.140 -3.047 -9.537
56 HB3 GLU 8 3HB GLU 8 -2.170 -3.026 -11.294
57 HG2 GLU 8 2HG GLU 8 -3.178 -0.774 -9.576
58 HG3 GLU 8 3HG GLU 8 -1.542 -0.864 -10.228
59 H MET 9 H MET 9 -3.405 -5.568 -9.830
60 HA MET 9 HA MET 9 -3.565 -6.615 -12.509
61 HB2 MET 9 2HB MET 9 -2.748 -8.678 -11.566
62 HB3 MET 9 3HB MET 9 -1.827 -7.342 -10.888
63 HG2 MET 9 2HG MET 9 -3.215 -7.440 -8.862
64 HG3 MET 9 3HG MET 9 -4.074 -8.821 -9.541
65 HE1 MET 9 3HE MET 9 -0.944 -7.605 -7.596
66 HE2 MET 9 1HE MET 9 0.287 -8.774 -8.075
67 HE3 MET 9 2HE MET 9 -0.348 -7.629 -9.257
68 H LEU 10 H LEU 10 -5.421 -6.882 -9.521
69 HA LEU 10 HA LEU 10 -7.246 -8.824 -10.602
70 HB2 LEU 10 2HB LEU 10 -6.813 -7.463 -8.045
71 HB3 LEU 10 3HB LEU 10 -8.508 -7.766 -8.421
72 HG LEU 10 HG LEU 10 -7.679 -9.561 -7.066
73 HD11 LEU 10 1HD1 LEU 10 -9.014 -9.909 -9.378
74 HD12 LEU 10 2HD1 LEU 10 -8.642 -11.214 -8.253
75 HD13 LEU 10 3HD1 LEU 10 -7.618 -10.948 -9.663
76 HD21 LEU 10 3HD2 LEU 10 -5.275 -9.211 -7.664
77 HD22 LEU 10 1HD2 LEU 10 -5.585 -10.076 -9.170
78 HD23 LEU 10 2HD2 LEU 10 -5.784 -10.900 -7.623
79 H ALA 11 H ALA 11 -9.047 -8.460 -11.726
80 HA ALA 11 HA ALA 11 -9.754 -5.760 -12.446
81 HB1 ALA 11 1HB ALA 11 -11.695 -7.550 -13.426
82 HB2 ALA 11 2HB ALA 11 -10.367 -6.796 -14.309
83 HB3 ALA 11 3HB ALA 11 -10.138 -8.369 -13.545
84 H ALA 12 H ALA 12 -11.174 -8.381 -10.553
85 HA ALA 12 HA ALA 12 -13.665 -7.129 -10.072
86 HB1 ALA 12 1HB ALA 12 -13.882 -9.316 -9.562
87 HB2 ALA 12 2HB ALA 12 -12.212 -9.466 -9.014
88 HB3 ALA 12 3HB ALA 12 -13.429 -8.762 -7.950
89 H ARG 13 H ARG 13 -10.529 -6.633 -8.774
90 HA ARG 13 HA ARG 13 -11.352 -5.524 -6.264
91 HB2 ARG 13 2HB ARG 13 -8.822 -5.946 -7.706
92 HB3 ARG 13 3HB ARG 13 -8.849 -4.514 -6.686
93 HG2 ARG 13 2HG ARG 13 -9.473 -7.318 -5.782
94 HG3 ARG 13 3HG ARG 13 -7.957 -6.458 -5.511
95 HD2 ARG 13 2HD ARG 13 -9.530 -4.653 -4.446
96 HD3 ARG 13 3HD ARG 13 -10.643 -6.012 -4.291
97 HE ARG 13 HE ARG 13 -9.285 -6.912 -2.663
98 HH11 ARG 13 1HH1 ARG 13 -7.661 -4.261 -4.231
99 HH12 ARG 13 2HH1 ARG 13 -6.375 -4.193 -3.072
100 HH21 ARG 13 1HH2 ARG 13 -7.597 -6.832 -1.131
101 HH22 ARG 13 2HH2 ARG 13 -6.339 -5.656 -1.309
102 H LYS 14 H LYS 14 -10.474 -4.229 -9.428
103 HA LYS 14 HA LYS 14 -10.411 -1.512 -8.760
104 HB2 LYS 14 2HB LYS 14 -11.208 -2.818 -11.368
105 HB3 LYS 14 3HB LYS 14 -10.831 -1.112 -11.170
106 HG2 LYS 14 2HG LYS 14 -8.556 -1.635 -10.576
107 HG3 LYS 14 3HG LYS 14 -8.911 -3.364 -10.615
108 HD2 LYS 14 2HD LYS 14 -7.845 -2.865 -12.667
109 HD3 LYS 14 3HD LYS 14 -9.561 -3.043 -13.039
110 HE2 LYS 14 2HE LYS 14 -8.938 -1.124 -14.206
111 HE3 LYS 14 3HE LYS 14 -9.682 -0.495 -12.736
112 HZ1 LYS 14 3HZ LYS 14 -7.609 0.048 -11.840
113 HZ2 LYS 14 1HZ LYS 14 -7.496 0.529 -13.458
114 HZ3 LYS 14 2HZ LYS 14 -6.761 -0.906 -12.950
115 H LYS 15 H LYS 15 -12.049 -0.751 -7.514
116 HA LYS 15 HA LYS 15 -14.808 -1.341 -8.120
117 HB2 LYS 15 2HB LYS 15 -13.450 0.385 -6.057
118 HB3 LYS 15 3HB LYS 15 -15.198 0.367 -6.250
119 HG2 LYS 15 2HG LYS 15 -15.419 -1.685 -5.329
120 HG3 LYS 15 3HG LYS 15 -13.877 -2.259 -5.969
121 HD2 LYS 15 2HD LYS 15 -13.293 -0.198 -4.129
122 HD3 LYS 15 3HD LYS 15 -14.484 -1.252 -3.362
123 HE2 LYS 15 2HE LYS 15 -12.729 -2.532 -2.819
124 HE3 LYS 15 3HE LYS 15 -12.768 -3.050 -4.504
125 HZ1 LYS 15 3HZ LYS 15 -11.172 -1.308 -5.032
126 HZ2 LYS 15 1HZ LYS 15 -10.554 -2.358 -3.858
127 HZ3 LYS 15 2HZ LYS 15 -11.126 -0.830 -3.410
128 H ARG 16 H ARG 16 -13.529 1.875 -7.401
129 HA ARG 16 HA ARG 16 -15.265 3.037 -9.391
130 HB2 ARG 16 2HB ARG 16 -13.645 3.997 -7.129
131 HB3 ARG 16 3HB ARG 16 -13.724 5.105 -8.493
132 HG2 ARG 16 2HG ARG 16 -16.141 3.909 -7.160
133 HG3 ARG 16 3HG ARG 16 -15.455 5.482 -6.747
134 HD2 ARG 16 2HD ARG 16 -15.672 5.790 -9.394
135 HD3 ARG 16 3HD ARG 16 -16.980 4.635 -9.139
136 HE ARG 16 HE ARG 16 -18.199 6.317 -8.203
137 HH11 ARG 16 1HH1 ARG 16 -14.830 7.188 -8.077
138 HH12 ARG 16 2HH1 ARG 16 -15.130 8.775 -7.449
139 HH21 ARG 16 1HH2 ARG 16 -18.606 8.403 -7.375
140 HH22 ARG 16 2HH2 ARG 16 -17.278 9.464 -7.049
141 H ILE 17 H ILE 17 -11.984 2.040 -9.189
142 HA ILE 17 HA ILE 17 -10.932 3.758 -11.211
143 HB ILE 17 HB ILE 17 -9.103 1.942 -11.301
144 HG12 ILE 17 2HG1 ILE 17 -10.943 0.457 -9.937
145 HG13 ILE 17 3HG1 ILE 17 -9.212 0.136 -9.946
146 HG21 ILE 17 1HG2 ILE 17 -8.703 4.003 -10.189
147 HG22 ILE 17 2HG2 ILE 17 -9.723 3.540 -8.828
148 HG23 ILE 17 3HG2 ILE 17 -8.185 2.720 -9.096
149 HD11 ILE 17 3HD1 ILE 17 -10.532 1.890 -7.899
150 HD12 ILE 17 1HD1 ILE 17 -10.332 0.150 -7.696
151 HD13 ILE 17 2HD1 ILE 17 -8.915 1.188 -7.857
152 H SER 18 H SER 18 -12.374 0.550 -11.176
153 HA SER 18 HA SER 18 -11.700 -0.268 -13.763
154 HB2 SER 18 2HB SER 18 -12.611 -1.975 -12.484
155 HB3 SER 18 3HB SER 18 -13.909 -0.957 -11.861
156 HG SER 18 HG SER 18 -15.056 -1.285 -13.652
157 H VAL 19 H VAL 19 -14.758 1.206 -12.660
158 HA VAL 19 HA VAL 19 -15.863 1.552 -15.214
159 HB VAL 19 HB VAL 19 -17.257 1.682 -13.241
160 HG11 VAL 19 1HG1 VAL 19 -17.144 3.487 -11.657
161 HG12 VAL 19 2HG1 VAL 19 -15.552 2.735 -11.773
162 HG13 VAL 19 3HG1 VAL 19 -15.863 4.272 -12.580
163 HG21 VAL 19 3HG2 VAL 19 -18.005 2.869 -15.244
164 HG22 VAL 19 1HG2 VAL 19 -18.549 3.684 -13.777
165 HG23 VAL 19 2HG2 VAL 19 -17.185 4.329 -14.690
166 H LYS 20 H LYS 20 -13.835 3.665 -13.242
167 HA LYS 20 HA LYS 20 -14.018 5.964 -14.855
168 HB2 LYS 20 2HB LYS 20 -13.135 5.938 -12.536
169 HB3 LYS 20 3HB LYS 20 -11.706 5.089 -13.112
170 HG2 LYS 20 2HG LYS 20 -11.096 6.989 -14.486
171 HG3 LYS 20 3HG LYS 20 -12.565 7.838 -13.998
172 HD2 LYS 20 2HD LYS 20 -11.776 7.744 -11.647
173 HD3 LYS 20 3HD LYS 20 -10.270 7.019 -12.216
174 HE2 LYS 20 2HE LYS 20 -11.312 9.697 -13.126
175 HE3 LYS 20 3HE LYS 20 -10.151 9.483 -11.817
176 HZ1 LYS 20 3HZ LYS 20 -8.619 8.469 -13.366
177 HZ2 LYS 20 1HZ LYS 20 -9.072 9.999 -13.928
178 HZ3 LYS 20 2HZ LYS 20 -9.739 8.611 -14.626
179 H LYS 21 H LYS 21 -11.829 3.195 -14.924
180 HA LYS 21 HA LYS 21 -10.043 4.174 -16.861
181 HB2 LYS 21 2HB LYS 21 -10.790 1.442 -15.887
182 HB3 LYS 21 3HB LYS 21 -9.757 1.604 -17.301
183 HG2 LYS 21 2HG LYS 21 -9.158 2.888 -14.648
184 HG3 LYS 21 3HG LYS 21 -8.554 1.302 -15.133
185 HD2 LYS 21 2HD LYS 21 -8.127 3.608 -16.968
186 HD3 LYS 21 3HD LYS 21 -7.132 3.494 -15.515
187 HE2 LYS 21 2HE LYS 21 -5.865 2.346 -17.073
188 HE3 LYS 21 3HE LYS 21 -6.750 1.045 -16.278
189 HZ1 LYS 21 3HZ LYS 21 -7.857 2.297 -18.699
190 HZ2 LYS 21 1HZ LYS 21 -8.106 0.738 -18.092
191 HZ3 LYS 21 2HZ LYS 21 -6.642 1.129 -18.843
192 H LYS 22 H LYS 22 -13.062 2.360 -17.146
193 HA LYS 22 HA LYS 22 -12.945 1.886 -19.916
194 HB2 LYS 22 2HB LYS 22 -15.397 2.239 -18.182
195 HB3 LYS 22 3HB LYS 22 -15.353 1.476 -19.766
196 HG2 LYS 22 2HG LYS 22 -13.603 0.398 -17.616
197 HG3 LYS 22 3HG LYS 22 -15.333 0.051 -17.564
198 HD2 LYS 22 2HD LYS 22 -15.275 -1.207 -19.484
199 HD3 LYS 22 3HD LYS 22 -13.872 -0.352 -20.130
200 HE2 LYS 22 2HE LYS 22 -12.387 -1.526 -18.719
201 HE3 LYS 22 3HE LYS 22 -13.701 -2.134 -17.714
202 HZ1 LYS 22 3HZ LYS 22 -14.392 -3.140 -20.070
203 HZ2 LYS 22 1HZ LYS 22 -13.400 -3.960 -18.971
204 HZ3 LYS 22 2HZ LYS 22 -12.712 -3.113 -20.264
205 H GLN 23 H GLN 23 -13.559 4.740 -18.123
206 HA GLN 23 HA GLN 23 -15.061 6.091 -20.169
207 HB2 GLN 23 2HB GLN 23 -13.642 7.215 -17.748
208 HB3 GLN 23 3HB GLN 23 -14.802 8.074 -18.752
209 HG2 GLN 23 2HG GLN 23 -15.685 5.519 -17.552
210 HG3 GLN 23 3HG GLN 23 -15.468 6.893 -16.469
211 HE21 GLN 23 1HE2 GLN 23 -17.842 6.417 -16.259
212 HE22 GLN 23 2HE2 GLN 23 -18.905 7.256 -17.331
213 H GLU 24 H GLU 24 -13.694 5.824 -21.996
214 HA GLU 24 HA GLU 24 -11.023 6.857 -22.010
215 HB2 GLU 24 2HB GLU 24 -12.155 5.047 -23.542
216 HB3 GLU 24 3HB GLU 24 -12.609 6.440 -24.514
217 HG2 GLU 24 2HG GLU 24 -10.099 7.048 -24.382
218 HG3 GLU 24 3HG GLU 24 -9.889 5.359 -23.922
219 H GLN 25 H GLN 25 -10.495 8.929 -22.057
220 HA GLN 25 HA GLN 25 -12.414 10.976 -22.596
221 HB2 GLN 25 2HB GLN 25 -9.547 10.881 -21.802
222 HB3 GLN 25 3HB GLN 25 -10.143 12.369 -22.526
223 HG2 GLN 25 2HG GLN 25 -11.595 12.794 -20.782
224 HG3 GLN 25 3HG GLN 25 -11.624 11.110 -20.261
225 HE21 GLN 25 1HE2 GLN 25 -10.962 11.261 -18.209
226 HE22 GLN 25 2HE2 GLN 25 -9.454 11.934 -17.703
227 HA PRO 26 HA PRO 26 -11.819 11.756 -26.870
228 HB2 PRO 26 2HB PRO 26 -11.865 14.468 -26.986
229 HB3 PRO 26 3HB PRO 26 -13.306 13.495 -26.665
230 HG2 PRO 26 2HG PRO 26 -11.536 14.953 -24.740
231 HG3 PRO 26 3HG PRO 26 -13.306 14.857 -24.779
232 HD2 PRO 26 2HD PRO 26 -11.803 13.358 -23.098
233 HD3 PRO 26 3HD PRO 26 -13.341 12.784 -23.772
Start of MODEL 2
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 1.735 0.811 -1.856
3 HB VAL 1 HB VAL 1 3.955 -0.596 -0.364
4 HG11 VAL 1 1HG1 VAL 1 4.818 -0.763 -2.431
5 HG12 VAL 1 2HG1 VAL 1 3.707 0.433 -3.102
6 HG13 VAL 1 3HG1 VAL 1 5.154 0.958 -2.240
7 HG21 VAL 1 3HG2 VAL 1 4.699 2.012 -0.602
8 HG22 VAL 1 1HG2 VAL 1 2.960 2.162 -0.352
9 HG23 VAL 1 2HG2 VAL 1 3.950 1.307 0.831
10 H SER 2 H SER 2 1.616 -2.296 -0.283
11 HA SER 2 HA SER 2 2.169 -3.798 -2.677
12 HB2 SER 2 2HB SER 2 2.015 -5.714 -1.349
13 HB3 SER 2 3HB SER 2 2.577 -4.499 -0.202
14 HG SER 2 HG SER 2 0.582 -4.391 0.681
15 H VAL 3 H VAL 3 -0.577 -2.352 -1.236
16 HA VAL 3 HA VAL 3 -2.520 -4.077 -2.495
17 HB VAL 3 HB VAL 3 -2.966 -2.925 -0.329
18 HG11 VAL 3 1HG1 VAL 3 -1.866 -0.770 -1.083
19 HG12 VAL 3 2HG1 VAL 3 -3.358 -0.429 -1.960
20 HG13 VAL 3 3HG1 VAL 3 -3.387 -0.606 -0.205
21 HG21 VAL 3 3HG2 VAL 3 -4.897 -2.166 -2.518
22 HG22 VAL 3 1HG2 VAL 3 -4.768 -3.775 -1.808
23 HG23 VAL 3 2HG2 VAL 3 -5.268 -2.409 -0.811
24 H ASP 4 H ASP 4 -0.765 -1.231 -3.307
25 HA ASP 4 HA ASP 4 -2.496 -0.026 -5.145
26 HB2 ASP 4 2HB ASP 4 0.188 0.309 -4.302
27 HB3 ASP 4 3HB ASP 4 0.212 0.200 -6.060
28 HA PRO 5 HA PRO 5 -0.358 -2.754 -8.531
29 HB2 PRO 5 2HB PRO 5 1.025 -4.919 -7.653
30 HB3 PRO 5 3HB PRO 5 1.770 -3.334 -7.889
31 HG2 PRO 5 2HG PRO 5 0.800 -4.614 -5.363
32 HG3 PRO 5 3HG PRO 5 2.291 -3.698 -5.652
33 HD2 PRO 5 2HD PRO 5 0.118 -2.606 -4.463
34 HD3 PRO 5 3HD PRO 5 1.222 -1.663 -5.484
35 H PHE 6 H PHE 6 -1.634 -4.230 -5.617
36 HA PHE 6 HA PHE 6 -2.587 -6.627 -6.724
37 HB2 PHE 6 2HB PHE 6 -2.420 -5.915 -4.248
38 HB3 PHE 6 3HB PHE 6 -3.995 -5.170 -4.500
39 HD1 PHE 6 HD1 PHE 6 -2.157 -8.363 -4.492
40 HD2 PHE 6 HD2 PHE 6 -5.969 -6.474 -4.610
41 HE1 PHE 6 HE1 PHE 6 -3.241 -10.532 -4.074
42 HE2 PHE 6 HE2 PHE 6 -7.059 -8.639 -4.191
43 HZ PHE 6 HZ PHE 6 -5.695 -10.672 -3.922
44 H TYR 7 H TYR 7 -4.349 -3.597 -6.064
45 HA TYR 7 HA TYR 7 -6.667 -4.470 -7.504
46 HB2 TYR 7 2HB TYR 7 -7.687 -2.611 -6.671
47 HB3 TYR 7 3HB TYR 7 -6.325 -2.654 -5.558
48 HD1 TYR 7 HD1 TYR 7 -4.457 -1.081 -5.817
49 HD2 TYR 7 HD2 TYR 7 -7.877 -0.888 -8.341
50 HE1 TYR 7 HE1 TYR 7 -3.799 1.181 -6.525
51 HE2 TYR 7 HE2 TYR 7 -7.228 1.374 -9.057
52 HH TYR 7 HH TYR 7 -4.167 2.699 -8.413
53 H GLU 8 H GLU 8 -3.715 -2.963 -8.345
54 HA GLU 8 HA GLU 8 -4.663 -1.617 -10.696
55 HB2 GLU 8 2HB GLU 8 -2.028 -2.109 -9.418
56 HB3 GLU 8 3HB GLU 8 -2.027 -1.790 -11.147
57 HG2 GLU 8 2HG GLU 8 -3.427 0.008 -9.199
58 HG3 GLU 8 3HG GLU 8 -1.717 0.190 -9.586
59 H MET 9 H MET 9 -3.051 -4.686 -10.005
60 HA MET 9 HA MET 9 -2.912 -5.421 -12.789
61 HB2 MET 9 2HB MET 9 -1.956 -7.499 -12.008
62 HB3 MET 9 3HB MET 9 -1.213 -6.161 -11.141
63 HG2 MET 9 2HG MET 9 -3.039 -6.663 -9.358
64 HG3 MET 9 3HG MET 9 -3.117 -8.232 -10.157
65 HE1 MET 9 3HE MET 9 -2.057 -9.935 -9.780
66 HE2 MET 9 1HE MET 9 -0.297 -10.052 -9.770
67 HE3 MET 9 2HE MET 9 -1.196 -10.162 -8.257
68 H LEU 10 H LEU 10 -4.919 -6.224 -10.000
69 HA LEU 10 HA LEU 10 -6.461 -8.176 -11.452
70 HB2 LEU 10 2HB LEU 10 -6.672 -6.940 -8.727
71 HB3 LEU 10 3HB LEU 10 -7.945 -7.978 -9.366
72 HG LEU 10 HG LEU 10 -5.081 -8.863 -9.066
73 HD11 LEU 10 1HD1 LEU 10 -5.730 -9.967 -7.025
74 HD12 LEU 10 2HD1 LEU 10 -7.379 -9.360 -7.180
75 HD13 LEU 10 3HD1 LEU 10 -6.051 -8.239 -6.883
76 HD21 LEU 10 3HD2 LEU 10 -6.269 -10.192 -10.649
77 HD22 LEU 10 1HD2 LEU 10 -7.676 -10.299 -9.591
78 HD23 LEU 10 2HD2 LEU 10 -6.176 -11.113 -9.147
79 H ALA 11 H ALA 11 -8.203 -7.815 -12.660
80 HA ALA 11 HA ALA 11 -9.163 -5.123 -13.025
81 HB1 ALA 11 1HB ALA 11 -9.167 -6.160 -15.051
82 HB2 ALA 11 2HB ALA 11 -9.576 -7.735 -14.370
83 HB3 ALA 11 3HB ALA 11 -10.826 -6.506 -14.561
84 H ALA 12 H ALA 12 -10.055 -7.843 -11.139
85 HA ALA 12 HA ALA 12 -12.834 -7.153 -10.860
86 HB1 ALA 12 1HB ALA 12 -11.271 -9.399 -10.305
87 HB2 ALA 12 2HB ALA 12 -11.845 -8.828 -8.737
88 HB3 ALA 12 3HB ALA 12 -13.000 -9.202 -10.017
89 H ARG 13 H ARG 13 -9.899 -6.772 -8.913
90 HA ARG 13 HA ARG 13 -11.091 -5.704 -6.617
91 HB2 ARG 13 2HB ARG 13 -8.400 -5.920 -7.722
92 HB3 ARG 13 3HB ARG 13 -8.627 -4.449 -6.785
93 HG2 ARG 13 2HG ARG 13 -9.325 -7.186 -5.756
94 HG3 ARG 13 3HG ARG 13 -7.752 -6.423 -5.513
95 HD2 ARG 13 2HD ARG 13 -9.263 -4.432 -4.643
96 HD3 ARG 13 3HD ARG 13 -10.402 -5.744 -4.348
97 HE ARG 13 HE ARG 13 -9.055 -6.499 -2.644
98 HH11 ARG 13 1HH1 ARG 13 -7.359 -4.099 -4.509
99 HH12 ARG 13 2HH1 ARG 13 -6.050 -3.960 -3.383
100 HH21 ARG 13 1HH2 ARG 13 -7.338 -6.325 -1.153
101 HH22 ARG 13 2HH2 ARG 13 -6.039 -5.227 -1.474
102 H LYS 14 H LYS 14 -10.612 -4.349 -9.727
103 HA LYS 14 HA LYS 14 -10.538 -1.603 -9.009
104 HB2 LYS 14 2HB LYS 14 -11.402 -2.927 -11.586
105 HB3 LYS 14 3HB LYS 14 -11.118 -1.202 -11.386
106 HG2 LYS 14 2HG LYS 14 -8.790 -1.572 -10.961
107 HG3 LYS 14 3HG LYS 14 -9.028 -3.321 -10.937
108 HD2 LYS 14 2HD LYS 14 -8.197 -2.958 -13.070
109 HD3 LYS 14 3HD LYS 14 -9.942 -2.976 -13.341
110 HE2 LYS 14 2HE LYS 14 -9.247 -1.110 -14.533
111 HE3 LYS 14 3HE LYS 14 -9.789 -0.422 -13.003
112 HZ1 LYS 14 3HZ LYS 14 -7.586 -0.142 -12.283
113 HZ2 LYS 14 1HZ LYS 14 -7.596 0.402 -13.885
114 HZ3 LYS 14 2HZ LYS 14 -6.957 -1.119 -13.513
115 H LYS 15 H LYS 15 -12.142 -0.932 -7.676
116 HA LYS 15 HA LYS 15 -14.890 -1.690 -8.116
117 HB2 LYS 15 2HB LYS 15 -13.554 0.170 -6.152
118 HB3 LYS 15 3HB LYS 15 -15.297 -0.055 -6.216
119 HG2 LYS 15 2HG LYS 15 -15.179 -1.943 -5.058
120 HG3 LYS 15 3HG LYS 15 -13.909 -2.586 -6.101
121 HD2 LYS 15 2HD LYS 15 -13.002 -2.453 -3.908
122 HD3 LYS 15 3HD LYS 15 -12.285 -1.136 -4.839
123 HE2 LYS 15 2HE LYS 15 -14.715 -0.235 -3.627
124 HE3 LYS 15 3HE LYS 15 -13.694 -0.983 -2.400
125 HZ1 LYS 15 3HZ LYS 15 -13.216 1.417 -4.005
126 HZ2 LYS 15 1HZ LYS 15 -11.876 0.477 -3.576
127 HZ3 LYS 15 2HZ LYS 15 -12.876 1.123 -2.374
128 H ARG 16 H ARG 16 -13.789 1.602 -7.463
129 HA ARG 16 HA ARG 16 -15.698 2.642 -9.360
130 HB2 ARG 16 2HB ARG 16 -14.907 3.605 -7.025
131 HB3 ARG 16 3HB ARG 16 -13.678 4.380 -8.015
132 HG2 ARG 16 2HG ARG 16 -16.444 4.632 -8.989
133 HG3 ARG 16 3HG ARG 16 -16.076 5.463 -7.476
134 HD2 ARG 16 2HD ARG 16 -13.922 5.969 -9.214
135 HD3 ARG 16 3HD ARG 16 -15.392 6.192 -10.162
136 HE ARG 16 HE ARG 16 -15.892 8.048 -8.905
137 HH11 ARG 16 1HH1 ARG 16 -13.320 6.264 -7.383
138 HH12 ARG 16 2HH1 ARG 16 -12.969 7.503 -6.224
139 HH21 ARG 16 1HH2 ARG 16 -15.440 9.688 -7.385
140 HH22 ARG 16 2HH2 ARG 16 -14.176 9.451 -6.226
141 H ILE 17 H ILE 17 -12.353 1.865 -9.327
142 HA ILE 17 HA ILE 17 -11.515 3.653 -11.387
143 HB ILE 17 HB ILE 17 -9.584 1.956 -11.585
144 HG12 ILE 17 2HG1 ILE 17 -11.259 0.351 -10.142
145 HG13 ILE 17 3HG1 ILE 17 -9.514 0.137 -10.245
146 HG21 ILE 17 1HG2 ILE 17 -9.258 4.031 -10.475
147 HG22 ILE 17 2HG2 ILE 17 -10.176 3.495 -9.068
148 HG23 ILE 17 3HG2 ILE 17 -8.605 2.776 -9.423
149 HD11 ILE 17 3HD1 ILE 17 -9.173 1.207 -8.167
150 HD12 ILE 17 1HD1 ILE 17 -10.839 1.784 -8.112
151 HD13 ILE 17 2HD1 ILE 17 -10.495 0.062 -7.940
152 H SER 18 H SER 18 -12.752 0.361 -11.308
153 HA SER 18 HA SER 18 -12.162 -0.397 -13.933
154 HB2 SER 18 2HB SER 18 -12.898 -2.176 -12.651
155 HB3 SER 18 3HB SER 18 -14.199 -1.242 -11.912
156 HG SER 18 HG SER 18 -15.448 -1.573 -13.646
157 H VAL 19 H VAL 19 -15.251 0.863 -12.664
158 HA VAL 19 HA VAL 19 -16.505 1.156 -15.152
159 HB VAL 19 HB VAL 19 -17.799 1.190 -13.109
160 HG11 VAL 19 1HG1 VAL 19 -16.535 3.857 -12.498
161 HG12 VAL 19 2HG1 VAL 19 -17.713 2.986 -11.515
162 HG13 VAL 19 3HG1 VAL 19 -16.086 2.338 -11.724
163 HG21 VAL 19 3HG2 VAL 19 -19.355 2.805 -13.720
164 HG22 VAL 19 1HG2 VAL 19 -18.113 3.952 -14.223
165 HG23 VAL 19 2HG2 VAL 19 -18.460 2.536 -15.216
166 H LYS 20 H LYS 20 -14.513 3.383 -13.272
167 HA LYS 20 HA LYS 20 -14.916 5.631 -14.966
168 HB2 LYS 20 2HB LYS 20 -14.157 5.848 -12.637
169 HB3 LYS 20 3HB LYS 20 -12.653 5.034 -13.049
170 HG2 LYS 20 2HG LYS 20 -13.303 7.409 -14.663
171 HG3 LYS 20 3HG LYS 20 -12.940 7.703 -12.961
172 HD2 LYS 20 2HD LYS 20 -11.138 5.894 -14.483
173 HD3 LYS 20 3HD LYS 20 -11.038 7.627 -14.805
174 HE2 LYS 20 2HE LYS 20 -10.382 8.117 -12.628
175 HE3 LYS 20 3HE LYS 20 -10.999 6.592 -11.995
176 HZ1 LYS 20 3HZ LYS 20 -8.999 6.106 -13.934
177 HZ2 LYS 20 1HZ LYS 20 -9.029 5.660 -12.303
178 HZ3 LYS 20 2HZ LYS 20 -8.403 7.164 -12.757
179 H LYS 21 H LYS 21 -12.976 2.818 -15.200
180 HA LYS 21 HA LYS 21 -10.986 3.934 -16.951
181 HB2 LYS 21 2HB LYS 21 -10.558 1.971 -15.480
182 HB3 LYS 21 3HB LYS 21 -11.680 1.032 -16.456
183 HG2 LYS 21 2HG LYS 21 -9.414 0.538 -17.103
184 HG3 LYS 21 3HG LYS 21 -10.237 1.384 -18.416
185 HD2 LYS 21 2HD LYS 21 -9.070 3.374 -18.017
186 HD3 LYS 21 3HD LYS 21 -8.576 2.864 -16.401
187 HE2 LYS 21 2HE LYS 21 -7.357 0.952 -17.717
188 HE3 LYS 21 3HE LYS 21 -7.477 2.083 -19.064
189 HZ1 LYS 21 3HZ LYS 21 -5.390 2.339 -17.878
190 HZ2 LYS 21 1HZ LYS 21 -6.217 2.654 -16.436
191 HZ3 LYS 21 2HZ LYS 21 -6.329 3.738 -17.729
192 H LYS 22 H LYS 22 -13.889 1.939 -17.331
193 HA LYS 22 HA LYS 22 -13.676 1.489 -20.091
194 HB2 LYS 22 2HB LYS 22 -16.076 1.623 -18.266
195 HB3 LYS 22 3HB LYS 22 -16.186 1.164 -19.960
196 HG2 LYS 22 2HG LYS 22 -14.903 -0.789 -19.614
197 HG3 LYS 22 3HG LYS 22 -14.407 -0.262 -18.004
198 HD2 LYS 22 2HD LYS 22 -16.523 -0.669 -17.093
199 HD3 LYS 22 3HD LYS 22 -17.299 -0.697 -18.678
200 HE2 LYS 22 2HE LYS 22 -17.171 -2.945 -17.858
201 HE3 LYS 22 3HE LYS 22 -16.030 -2.775 -19.192
202 HZ1 LYS 22 3HZ LYS 22 -15.101 -3.990 -17.291
203 HZ2 LYS 22 1HZ LYS 22 -15.305 -2.623 -16.316
204 HZ3 LYS 22 2HZ LYS 22 -14.235 -2.576 -17.625
205 H GLN 23 H GLN 23 -14.475 4.316 -18.329
206 HA GLN 23 HA GLN 23 -16.058 5.614 -20.302
207 HB2 GLN 23 2HB GLN 23 -14.398 6.815 -18.079
208 HB3 GLN 23 3HB GLN 23 -15.639 7.654 -19.000
209 HG2 GLN 23 2HG GLN 23 -16.420 5.158 -17.612
210 HG3 GLN 23 3HG GLN 23 -16.105 6.583 -16.623
211 HE21 GLN 23 1HE2 GLN 23 -18.530 5.805 -16.367
212 HE22 GLN 23 2HE2 GLN 23 -19.654 6.721 -17.306
213 H GLU 24 H GLU 24 -15.378 7.612 -21.439
214 HA GLU 24 HA GLU 24 -13.124 7.103 -23.071
215 HB2 GLU 24 2HB GLU 24 -15.254 8.421 -23.640
216 HB3 GLU 24 3HB GLU 24 -14.483 9.778 -22.831
217 HG2 GLU 24 2HG GLU 24 -12.793 9.927 -24.427
218 HG3 GLU 24 3HG GLU 24 -13.104 8.305 -25.041
219 H GLN 25 H GLN 25 -11.053 7.574 -22.768
220 HA GLN 25 HA GLN 25 -10.225 9.036 -20.430
221 HB2 GLN 25 2HB GLN 25 -8.032 8.311 -20.926
222 HB3 GLN 25 3HB GLN 25 -9.081 6.972 -21.374
223 HG2 GLN 25 2HG GLN 25 -8.976 8.190 -23.731
224 HG3 GLN 25 3HG GLN 25 -7.440 8.753 -23.073
225 HE21 GLN 25 1HE2 GLN 25 -5.823 7.558 -23.744
226 HE22 GLN 25 2HE2 GLN 25 -5.838 5.846 -23.970
227 HA PRO 26 HA PRO 26 -9.598 13.008 -22.187
228 HB2 PRO 26 2HB PRO 26 -7.433 13.862 -20.790
229 HB3 PRO 26 3HB PRO 26 -9.043 13.721 -20.075
230 HG2 PRO 26 2HG PRO 26 -6.724 11.836 -19.906
231 HG3 PRO 26 3HG PRO 26 -7.836 12.359 -18.628
232 HD2 PRO 26 2HD PRO 26 -8.082 9.974 -19.887
233 HD3 PRO 26 3HD PRO 26 -9.482 10.883 -19.282
Start of MODEL 3
1 H1 VAL 1 H VAL 1 2.293 0.395 0.161
2 HA VAL 1 HA VAL 1 2.330 0.606 -2.639
3 HB VAL 1 HB VAL 1 4.609 -0.275 -2.532
4 HG11 VAL 1 1HG1 VAL 1 5.469 1.596 -1.589
5 HG12 VAL 1 2HG1 VAL 1 3.770 2.072 -1.554
6 HG13 VAL 1 3HG1 VAL 1 4.532 1.413 -0.106
7 HG21 VAL 1 3HG2 VAL 1 4.524 -2.048 -1.008
8 HG22 VAL 1 1HG2 VAL 1 5.484 -0.818 -0.185
9 HG23 VAL 1 2HG2 VAL 1 3.791 -1.052 0.249
10 H SER 2 H SER 2 1.867 -2.125 -0.509
11 HA SER 2 HA SER 2 2.188 -4.092 -2.588
12 HB2 SER 2 2HB SER 2 1.289 -4.213 0.285
13 HB3 SER 2 3HB SER 2 1.191 -5.621 -0.772
14 HG SER 2 HG SER 2 3.273 -5.862 -0.619
15 H VAL 3 H VAL 3 -0.339 -2.095 -1.434
16 HA VAL 3 HA VAL 3 -2.496 -3.784 -2.351
17 HB VAL 3 HB VAL 3 -3.962 -1.910 -1.788
18 HG11 VAL 3 1HG1 VAL 3 -1.870 -2.614 0.260
19 HG12 VAL 3 2HG1 VAL 3 -3.341 -1.717 0.645
20 HG13 VAL 3 3HG1 VAL 3 -3.448 -3.363 0.019
21 HG21 VAL 3 3HG2 VAL 3 -3.014 0.100 -2.222
22 HG22 VAL 3 1HG2 VAL 3 -2.563 -0.003 -0.520
23 HG23 VAL 3 2HG2 VAL 3 -1.398 -0.441 -1.769
24 H ASP 4 H ASP 4 -0.448 -1.356 -3.674
25 HA ASP 4 HA ASP 4 -2.072 -0.313 -5.699
26 HB2 ASP 4 2HB ASP 4 0.657 -0.154 -4.940
27 HB3 ASP 4 3HB ASP 4 0.616 -0.568 -6.652
28 HA PRO 5 HA PRO 5 -0.338 -3.843 -8.529
29 HB2 PRO 5 2HB PRO 5 0.804 -5.959 -7.270
30 HB3 PRO 5 3HB PRO 5 1.722 -4.542 -7.793
31 HG2 PRO 5 2HG PRO 5 0.667 -5.218 -5.074
32 HG3 PRO 5 3HG PRO 5 2.247 -4.552 -5.528
33 HD2 PRO 5 2HD PRO 5 0.241 -3.014 -4.558
34 HD3 PRO 5 3HD PRO 5 1.425 -2.409 -5.735
35 H PHE 6 H PHE 6 -1.700 -4.618 -5.389
36 HA PHE 6 HA PHE 6 -2.956 -7.040 -6.054
37 HB2 PHE 6 2HB PHE 6 -2.628 -5.911 -3.740
38 HB3 PHE 6 3HB PHE 6 -4.140 -5.086 -4.102
39 HD1 PHE 6 HD2 PHE 6 -2.572 -8.306 -3.358
40 HD2 PHE 6 HD1 PHE 6 -6.231 -6.276 -4.139
41 HE1 PHE 6 HE2 PHE 6 -3.826 -10.261 -2.545
42 HE2 PHE 6 HE1 PHE 6 -7.491 -8.227 -3.326
43 HZ PHE 6 HZ PHE 6 -6.289 -10.224 -2.529
44 H TYR 7 H TYR 7 -4.342 -3.757 -5.891
45 HA TYR 7 HA TYR 7 -6.789 -4.574 -7.132
46 HB2 TYR 7 2HB TYR 7 -7.556 -2.500 -6.602
47 HB3 TYR 7 3HB TYR 7 -6.151 -2.497 -5.543
48 HD1 TYR 7 HD1 TYR 7 -4.114 -1.254 -6.192
49 HD2 TYR 7 HD2 TYR 7 -7.680 -1.053 -8.504
50 HE1 TYR 7 HE1 TYR 7 -3.261 0.757 -7.322
51 HE2 TYR 7 HE2 TYR 7 -6.837 0.958 -9.641
52 HH TYR 7 HH TYR 7 -4.582 1.985 -10.135
53 H GLU 8 H GLU 8 -3.710 -3.643 -8.269
54 HA GLU 8 HA GLU 8 -4.561 -2.586 -10.797
55 HB2 GLU 8 2HB GLU 8 -1.968 -3.222 -9.497
56 HB3 GLU 8 3HB GLU 8 -1.992 -3.203 -11.255
57 HG2 GLU 8 2HG GLU 8 -3.033 -0.924 -9.604
58 HG3 GLU 8 3HG GLU 8 -1.346 -1.052 -10.099
59 H MET 9 H MET 9 -3.339 -5.691 -9.627
60 HA MET 9 HA MET 9 -3.428 -6.889 -12.249
61 HB2 MET 9 2HB MET 9 -2.748 -8.936 -11.123
62 HB3 MET 9 3HB MET 9 -1.755 -7.590 -10.583
63 HG2 MET 9 2HG MET 9 -3.504 -7.452 -8.652
64 HG3 MET 9 3HG MET 9 -3.836 -9.122 -9.106
65 HE1 MET 9 3HE MET 9 -2.276 -10.835 -6.951
66 HE2 MET 9 1HE MET 9 -2.850 -10.892 -8.618
67 HE3 MET 9 2HE MET 9 -1.151 -11.201 -8.261
68 H LEU 10 H LEU 10 -5.374 -6.969 -9.302
69 HA LEU 10 HA LEU 10 -7.234 -8.887 -10.384
70 HB2 LEU 10 2HB LEU 10 -7.080 -7.280 -7.863
71 HB3 LEU 10 3HB LEU 10 -8.561 -8.133 -8.293
72 HG LEU 10 HG LEU 10 -6.367 -9.948 -8.489
73 HD11 LEU 10 1HD1 LEU 10 -5.921 -9.906 -5.944
74 HD12 LEU 10 2HD1 LEU 10 -6.416 -8.217 -6.049
75 HD13 LEU 10 3HD1 LEU 10 -5.037 -8.792 -6.986
76 HD21 LEU 10 3HD2 LEU 10 -8.616 -10.670 -8.134
77 HD22 LEU 10 1HD2 LEU 10 -8.750 -9.710 -6.660
78 HD23 LEU 10 2HD2 LEU 10 -7.677 -11.110 -6.706
79 H ALA 11 H ALA 11 -9.001 -8.476 -11.544
80 HA ALA 11 HA ALA 11 -9.614 -5.762 -12.296
81 HB1 ALA 11 1HB ALA 11 -10.331 -6.745 -14.149
82 HB2 ALA 11 2HB ALA 11 -9.983 -8.319 -13.433
83 HB3 ALA 11 3HB ALA 11 -11.580 -7.598 -13.241
84 H ALA 12 H ALA 12 -11.149 -8.320 -10.405
85 HA ALA 12 HA ALA 12 -13.605 -6.989 -9.972
86 HB1 ALA 12 1HB ALA 12 -14.135 -8.946 -9.073
87 HB2 ALA 12 2HB ALA 12 -12.461 -9.466 -9.274
88 HB3 ALA 12 3HB ALA 12 -12.971 -8.699 -7.771
89 H ARG 13 H ARG 13 -10.474 -6.559 -8.638
90 HA ARG 13 HA ARG 13 -11.316 -5.378 -6.162
91 HB2 ARG 13 2HB ARG 13 -8.812 -6.086 -7.442
92 HB3 ARG 13 3HB ARG 13 -8.723 -4.493 -6.701
93 HG2 ARG 13 2HG ARG 13 -9.530 -7.045 -5.321
94 HG3 ARG 13 3HG ARG 13 -7.979 -6.218 -5.164
95 HD2 ARG 13 2HD ARG 13 -9.477 -4.185 -4.474
96 HD3 ARG 13 3HD ARG 13 -10.665 -5.438 -4.121
97 HE ARG 13 HE ARG 13 -9.401 -6.099 -2.316
98 HH11 ARG 13 1HH1 ARG 13 -7.580 -3.877 -4.283
99 HH12 ARG 13 2HH1 ARG 13 -6.314 -3.679 -3.117
100 HH21 ARG 13 1HH2 ARG 13 -7.740 -5.847 -0.773
101 HH22 ARG 13 2HH2 ARG 13 -6.406 -4.801 -1.121
102 H LYS 14 H LYS 14 -10.297 -4.190 -9.326
103 HA LYS 14 HA LYS 14 -10.131 -1.465 -8.712
104 HB2 LYS 14 2HB LYS 14 -10.920 -2.791 -11.313
105 HB3 LYS 14 3HB LYS 14 -10.472 -1.099 -11.140
106 HG2 LYS 14 2HG LYS 14 -8.238 -1.707 -10.481
107 HG3 LYS 14 3HG LYS 14 -8.668 -3.419 -10.485
108 HD2 LYS 14 2HD LYS 14 -7.641 -3.193 -12.539
109 HD3 LYS 14 3HD LYS 14 -9.337 -2.953 -12.965
110 HE2 LYS 14 2HE LYS 14 -8.989 -0.511 -12.818
111 HE3 LYS 14 3HE LYS 14 -7.281 -0.798 -12.487
112 HZ1 LYS 14 3HZ LYS 14 -6.864 -1.148 -14.633
113 HZ2 LYS 14 1HZ LYS 14 -8.381 -0.464 -14.943
114 HZ3 LYS 14 2HZ LYS 14 -8.216 -2.144 -14.843
115 H LYS 15 H LYS 15 -11.762 -0.601 -7.528
116 HA LYS 15 HA LYS 15 -14.529 -1.084 -8.190
117 HB2 LYS 15 2HB LYS 15 -13.174 0.677 -6.149
118 HB3 LYS 15 3HB LYS 15 -14.919 0.636 -6.361
119 HG2 LYS 15 2HG LYS 15 -15.105 -1.225 -5.168
120 HG3 LYS 15 3HG LYS 15 -13.824 -2.024 -6.082
121 HD2 LYS 15 2HD LYS 15 -13.141 -1.915 -3.792
122 HD3 LYS 15 3HD LYS 15 -12.162 -0.764 -4.706
123 HE2 LYS 15 2HE LYS 15 -14.534 0.537 -3.785
124 HE3 LYS 15 3HE LYS 15 -13.762 -0.281 -2.428
125 HZ1 LYS 15 3HZ LYS 15 -11.639 0.820 -3.275
126 HZ2 LYS 15 1HZ LYS 15 -12.767 1.802 -2.484
127 HZ3 LYS 15 2HZ LYS 15 -12.658 1.830 -4.171
128 H ARG 16 H ARG 16 -13.129 2.089 -7.511
129 HA ARG 16 HA ARG 16 -14.761 3.278 -9.572
130 HB2 ARG 16 2HB ARG 16 -12.836 4.393 -7.540
131 HB3 ARG 16 3HB ARG 16 -13.578 5.402 -8.775
132 HG2 ARG 16 2HG ARG 16 -15.234 3.714 -6.934
133 HG3 ARG 16 3HG ARG 16 -14.671 5.320 -6.467
134 HD2 ARG 16 2HD ARG 16 -15.915 6.373 -8.133
135 HD3 ARG 16 3HD ARG 16 -16.100 4.887 -9.063
136 HE ARG 16 HE ARG 16 -17.816 5.826 -7.006
137 HH11 ARG 16 1HH1 ARG 16 -16.475 2.922 -8.381
138 HH12 ARG 16 2HH1 ARG 16 -17.797 1.919 -7.881
139 HH21 ARG 16 1HH2 ARG 16 -19.562 4.517 -6.343
140 HH22 ARG 16 2HH2 ARG 16 -19.553 2.828 -6.723
141 H ILE 17 H ILE 17 -11.532 2.147 -9.258
142 HA ILE 17 HA ILE 17 -10.353 3.770 -11.288
143 HB ILE 17 HB ILE 17 -8.604 1.876 -11.290
144 HG12 ILE 17 2HG1 ILE 17 -10.543 0.502 -9.945
145 HG13 ILE 17 3HG1 ILE 17 -8.829 0.106 -9.902
146 HG21 ILE 17 1HG2 ILE 17 -9.219 3.552 -8.866
147 HG22 ILE 17 2HG2 ILE 17 -7.713 2.660 -9.076
148 HG23 ILE 17 3HG2 ILE 17 -8.143 3.942 -10.208
149 HD11 ILE 17 3HD1 ILE 17 -10.124 1.958 -7.927
150 HD12 ILE 17 1HD1 ILE 17 -10.002 0.216 -7.683
151 HD13 ILE 17 2HD1 ILE 17 -8.539 1.191 -7.828
152 H SER 18 H SER 18 -11.937 0.630 -11.224
153 HA SER 18 HA SER 18 -11.232 -0.274 -13.774
154 HB2 SER 18 2HB SER 18 -12.251 -1.914 -12.491
155 HB3 SER 18 3HB SER 18 -13.513 -0.826 -11.913
156 HG SER 18 HG SER 18 -14.655 -1.787 -13.400
157 H VAL 19 H VAL 19 -14.253 1.351 -12.787
158 HA VAL 19 HA VAL 19 -15.272 1.689 -15.377
159 HB VAL 19 HB VAL 19 -16.712 1.924 -13.447
160 HG11 VAL 19 1HG1 VAL 19 -16.560 3.753 -11.895
161 HG12 VAL 19 2HG1 VAL 19 -14.999 2.931 -11.955
162 HG13 VAL 19 3HG1 VAL 19 -15.223 4.464 -12.799
163 HG21 VAL 19 3HG2 VAL 19 -16.514 4.576 -14.871
164 HG22 VAL 19 1HG2 VAL 19 -17.278 3.132 -15.536
165 HG23 VAL 19 2HG2 VAL 19 -17.942 3.895 -14.091
166 H LYS 20 H LYS 20 -13.208 3.757 -13.395
167 HA LYS 20 HA LYS 20 -13.235 5.979 -15.166
168 HB2 LYS 20 2HB LYS 20 -12.571 5.922 -12.684
169 HB3 LYS 20 3HB LYS 20 -11.009 5.337 -13.242
170 HG2 LYS 20 2HG LYS 20 -10.551 7.553 -13.169
171 HG3 LYS 20 3HG LYS 20 -11.196 7.468 -14.810
172 HD2 LYS 20 2HD LYS 20 -13.100 7.941 -12.573
173 HD3 LYS 20 3HD LYS 20 -12.049 9.270 -13.067
174 HE2 LYS 20 2HE LYS 20 -12.857 8.622 -15.468
175 HE3 LYS 20 3HE LYS 20 -14.196 7.870 -14.601
176 HZ1 LYS 20 3HZ LYS 20 -13.459 10.640 -13.964
177 HZ2 LYS 20 1HZ LYS 20 -14.966 9.878 -13.861
178 HZ3 LYS 20 2HZ LYS 20 -14.350 10.333 -15.369
179 H LYS 21 H LYS 21 -11.597 2.971 -15.183
180 HA LYS 21 HA LYS 21 -9.381 3.826 -16.812
181 HB2 LYS 21 2HB LYS 21 -9.202 1.909 -15.259
182 HB3 LYS 21 3HB LYS 21 -10.389 1.036 -16.219
183 HG2 LYS 21 2HG LYS 21 -8.013 2.050 -17.653
184 HG3 LYS 21 3HG LYS 21 -7.757 0.725 -16.515
185 HD2 LYS 21 2HD LYS 21 -9.053 -0.742 -17.724
186 HD3 LYS 21 3HD LYS 21 -10.015 0.545 -18.455
187 HE2 LYS 21 2HE LYS 21 -7.115 0.391 -19.108
188 HE3 LYS 21 3HE LYS 21 -8.202 -0.788 -19.839
189 HZ1 LYS 21 3HZ LYS 21 -9.568 1.393 -20.341
190 HZ2 LYS 21 1HZ LYS 21 -8.339 0.857 -21.373
191 HZ3 LYS 21 2HZ LYS 21 -8.031 2.097 -20.265
192 H LYS 22 H LYS 22 -12.434 2.109 -17.330
193 HA LYS 22 HA LYS 22 -11.982 1.755 -20.141
194 HB2 LYS 22 2HB LYS 22 -14.476 1.457 -18.458
195 HB3 LYS 22 3HB LYS 22 -14.373 1.030 -20.161
196 HG2 LYS 22 2HG LYS 22 -12.420 -0.487 -19.433
197 HG3 LYS 22 3HG LYS 22 -13.078 -0.283 -17.807
198 HD2 LYS 22 2HD LYS 22 -14.148 -2.203 -18.536
199 HD3 LYS 22 3HD LYS 22 -15.331 -0.950 -18.916
200 HE2 LYS 22 2HE LYS 22 -14.710 -0.954 -21.214
201 HE3 LYS 22 3HE LYS 22 -13.303 -1.967 -20.896
202 HZ1 LYS 22 3HZ LYS 22 -16.109 -2.841 -20.481
203 HZ2 LYS 22 1HZ LYS 22 -14.720 -3.800 -20.378
204 HZ3 LYS 22 2HZ LYS 22 -15.208 -3.176 -21.872
205 H GLN 23 H GLN 23 -13.183 4.277 -18.158
206 HA GLN 23 HA GLN 23 -14.959 5.554 -19.909
207 HB2 GLN 23 2HB GLN 23 -13.273 6.465 -17.610
208 HB3 GLN 23 3HB GLN 23 -14.106 7.660 -18.595
209 HG2 GLN 23 2HG GLN 23 -15.684 5.366 -17.579
210 HG3 GLN 23 3HG GLN 23 -15.193 6.609 -16.428
211 HE21 GLN 23 1HE2 GLN 23 -17.419 7.103 -16.160
212 HE22 GLN 23 2HE2 GLN 23 -18.252 8.074 -17.322
213 H GLU 24 H GLU 24 -14.689 6.738 -21.695
214 HA GLU 24 HA GLU 24 -12.245 6.806 -23.064
215 HB2 GLU 24 2HB GLU 24 -13.352 8.139 -24.705
216 HB3 GLU 24 3HB GLU 24 -14.533 6.994 -24.085
217 HG2 GLU 24 2HG GLU 24 -15.493 8.723 -22.671
218 HG3 GLU 24 3HG GLU 24 -14.290 9.875 -23.246
219 H GLN 25 H GLN 25 -10.765 8.446 -23.458
220 HA GLN 25 HA GLN 25 -10.118 10.120 -21.312
221 HB2 GLN 25 2HB GLN 25 -8.503 11.171 -22.891
222 HB3 GLN 25 3HB GLN 25 -8.411 9.416 -22.852
223 HG2 GLN 25 2HG GLN 25 -8.287 9.866 -25.103
224 HG3 GLN 25 3HG GLN 25 -10.003 9.525 -24.884
225 HE21 GLN 25 1HE2 GLN 25 -7.773 12.282 -24.689
226 HE22 GLN 25 2HE2 GLN 25 -8.811 13.397 -25.503
227 HA PRO 26 HA PRO 26 -12.533 13.745 -21.844
228 HB2 PRO 26 2HB PRO 26 -10.802 15.664 -21.010
229 HB3 PRO 26 3HB PRO 26 -11.578 14.524 -19.905
230 HG2 PRO 26 2HG PRO 26 -8.824 14.451 -21.076
231 HG3 PRO 26 3HG PRO 26 -9.343 14.106 -19.416
232 HD2 PRO 26 2HD PRO 26 -8.811 12.150 -21.211
233 HD3 PRO 26 3HD PRO 26 -10.040 11.973 -19.943
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.583 -0.220 1.448
2 HA VAL 1 HA VAL 1 1.594 0.678 -1.237
3 HB VAL 1 HB VAL 1 3.520 0.976 0.264
4 HG11 VAL 1 1HG1 VAL 1 3.997 -1.980 -0.090
5 HG12 VAL 1 2HG1 VAL 1 4.971 -0.846 0.849
6 HG13 VAL 1 3HG1 VAL 1 3.333 -1.244 1.369
7 HG21 VAL 1 3HG2 VAL 1 3.626 0.749 -2.335
8 HG22 VAL 1 1HG2 VAL 1 5.115 0.821 -1.393
9 HG23 VAL 1 2HG2 VAL 1 4.515 -0.731 -1.976
10 H SER 2 H SER 2 1.328 -2.454 0.221
11 HA SER 2 HA SER 2 2.046 -3.914 -2.157
12 HB2 SER 2 2HB SER 2 2.373 -4.802 0.169
13 HB3 SER 2 3HB SER 2 0.621 -4.941 0.307
14 HG SER 2 HG SER 2 1.285 -6.901 -0.391
15 H VAL 3 H VAL 3 -0.777 -2.433 -0.913
16 HA VAL 3 HA VAL 3 -2.646 -4.080 -2.373
17 HB VAL 3 HB VAL 3 -4.354 -2.512 -1.611
18 HG11 VAL 3 1HG1 VAL 3 -4.339 -3.152 0.606
19 HG12 VAL 3 2HG1 VAL 3 -3.219 -4.313 -0.108
20 HG13 VAL 3 3HG1 VAL 3 -2.600 -2.916 0.773
21 HG21 VAL 3 3HG2 VAL 3 -3.049 -0.830 0.175
22 HG22 VAL 3 1HG2 VAL 3 -2.066 -0.771 -1.289
23 HG23 VAL 3 2HG2 VAL 3 -3.782 -0.372 -1.362
24 H ASP 4 H ASP 4 -0.764 -1.261 -2.964
25 HA ASP 4 HA ASP 4 -2.308 0.029 -4.909
26 HB2 ASP 4 2HB ASP 4 0.306 0.275 -3.839
27 HB3 ASP 4 3HB ASP 4 0.470 0.213 -5.592
28 HA PRO 5 HA PRO 5 0.046 -2.671 -8.172
29 HB2 PRO 5 2HB PRO 5 1.300 -4.890 -7.236
30 HB3 PRO 5 3HB PRO 5 2.099 -3.319 -7.368
31 HG2 PRO 5 2HG PRO 5 0.891 -4.633 -4.966
32 HG3 PRO 5 3HG PRO 5 2.421 -3.748 -5.106
33 HD2 PRO 5 2HD PRO 5 0.180 -2.630 -4.076
34 HD3 PRO 5 3HD PRO 5 1.388 -1.691 -4.976
35 H PHE 6 H PHE 6 -1.443 -4.248 -5.401
36 HA PHE 6 HA PHE 6 -2.372 -6.569 -6.655
37 HB2 PHE 6 2HB PHE 6 -2.390 -5.915 -4.150
38 HB3 PHE 6 3HB PHE 6 -3.936 -5.155 -4.511
39 HD1 PHE 6 HD1 PHE 6 -2.130 -8.329 -4.256
40 HD2 PHE 6 HD2 PHE 6 -5.888 -6.471 -4.991
41 HE1 PHE 6 HE1 PHE 6 -3.254 -10.501 -3.982
42 HE2 PHE 6 HE2 PHE 6 -7.018 -8.639 -4.717
43 HZ PHE 6 HZ PHE 6 -5.701 -10.658 -4.211
44 H TYR 7 H TYR 7 -4.210 -3.589 -5.961
45 HA TYR 7 HA TYR 7 -6.394 -4.352 -7.623
46 HB2 TYR 7 2HB TYR 7 -7.440 -2.515 -6.791
47 HB3 TYR 7 3HB TYR 7 -6.130 -2.568 -5.617
48 HD1 TYR 7 HD1 TYR 7 -4.183 -1.041 -5.874
49 HD2 TYR 7 HD2 TYR 7 -7.624 -0.730 -8.358
50 HE1 TYR 7 HE1 TYR 7 -3.495 1.227 -6.534
51 HE2 TYR 7 HE2 TYR 7 -6.944 1.538 -9.025
52 HH TYR 7 HH TYR 7 -4.752 3.349 -7.412
53 H GLU 8 H GLU 8 -3.367 -2.858 -8.206
54 HA GLU 8 HA GLU 8 -4.102 -1.425 -10.570
55 HB2 GLU 8 2HB GLU 8 -1.582 -2.076 -9.146
56 HB3 GLU 8 3HB GLU 8 -1.448 -1.726 -10.863
57 HG2 GLU 8 2HG GLU 8 -2.840 0.096 -8.923
58 HG3 GLU 8 3HG GLU 8 -1.125 0.222 -9.312
59 H MET 9 H MET 9 -2.652 -4.583 -9.905
60 HA MET 9 HA MET 9 -2.395 -5.228 -12.702
61 HB2 MET 9 2HB MET 9 -1.529 -7.342 -11.966
62 HB3 MET 9 3HB MET 9 -0.836 -6.087 -10.948
63 HG2 MET 9 2HG MET 9 -2.498 -6.615 -9.211
64 HG3 MET 9 3HG MET 9 -3.110 -7.919 -10.226
65 HE1 MET 9 3HE MET 9 0.401 -6.528 -9.354
66 HE2 MET 9 1HE MET 9 -0.237 -6.811 -7.734
67 HE3 MET 9 2HE MET 9 1.093 -7.796 -8.342
68 H LEU 10 H LEU 10 -4.582 -6.041 -10.054
69 HA LEU 10 HA LEU 10 -6.121 -7.873 -11.662
70 HB2 LEU 10 2HB LEU 10 -6.235 -6.841 -8.878
71 HB3 LEU 10 3HB LEU 10 -7.715 -7.494 -9.578
72 HG LEU 10 HG LEU 10 -5.879 -9.459 -10.130
73 HD11 LEU 10 1HD1 LEU 10 -4.315 -8.116 -8.611
74 HD12 LEU 10 2HD1 LEU 10 -4.498 -9.840 -8.289
75 HD13 LEU 10 3HD1 LEU 10 -5.347 -8.661 -7.289
76 HD21 LEU 10 3HD2 LEU 10 -7.344 -9.547 -7.542
77 HD22 LEU 10 1HD2 LEU 10 -7.219 -10.762 -8.815
78 HD23 LEU 10 2HD2 LEU 10 -8.275 -9.365 -9.030
79 H ALA 11 H ALA 11 -7.814 -7.407 -12.909
80 HA ALA 11 HA ALA 11 -8.630 -4.662 -13.234
81 HB1 ALA 11 1HB ALA 11 -9.503 -5.296 -15.230
82 HB2 ALA 11 2HB ALA 11 -8.397 -6.649 -14.993
83 HB3 ALA 11 3HB ALA 11 -10.108 -6.831 -14.606
84 H ALA 12 H ALA 12 -10.056 -7.646 -11.994
85 HA ALA 12 HA ALA 12 -12.665 -6.624 -11.599
86 HB1 ALA 12 1HB ALA 12 -11.165 -9.026 -10.721
87 HB2 ALA 12 2HB ALA 12 -12.613 -8.591 -9.811
88 HB3 ALA 12 3HB ALA 12 -12.719 -8.896 -11.545
89 H ARG 13 H ARG 13 -9.725 -6.211 -9.882
90 HA ARG 13 HA ARG 13 -10.878 -5.618 -7.328
91 HB2 ARG 13 2HB ARG 13 -8.224 -5.801 -8.478
92 HB3 ARG 13 3HB ARG 13 -8.375 -4.380 -7.452
93 HG2 ARG 13 2HG ARG 13 -8.975 -7.218 -6.643
94 HG3 ARG 13 3HG ARG 13 -7.545 -6.285 -6.197
95 HD2 ARG 13 2HD ARG 13 -9.281 -4.585 -5.265
96 HD3 ARG 13 3HD ARG 13 -10.378 -5.966 -5.297
97 HE ARG 13 HE ARG 13 -9.225 -6.895 -3.536
98 HH11 ARG 13 1HH1 ARG 13 -7.446 -4.191 -4.817
99 HH12 ARG 13 2HH1 ARG 13 -6.311 -4.150 -3.508
100 HH21 ARG 13 1HH2 ARG 13 -7.738 -6.852 -1.807
101 HH22 ARG 13 2HH2 ARG 13 -6.478 -5.664 -1.797
102 H LYS 14 H LYS 14 -10.431 -3.890 -10.252
103 HA LYS 14 HA LYS 14 -10.301 -1.258 -9.190
104 HB2 LYS 14 2HB LYS 14 -11.209 -2.235 -11.904
105 HB3 LYS 14 3HB LYS 14 -10.908 -0.552 -11.491
106 HG2 LYS 14 2HG LYS 14 -8.628 -0.836 -11.411
107 HG3 LYS 14 3HG LYS 14 -8.748 -2.566 -11.081
108 HD2 LYS 14 2HD LYS 14 -9.581 -2.902 -13.391
109 HD3 LYS 14 3HD LYS 14 -9.326 -1.183 -13.701
110 HE2 LYS 14 2HE LYS 14 -6.937 -1.467 -13.191
111 HE3 LYS 14 3HE LYS 14 -7.208 -3.189 -12.930
112 HZ1 LYS 14 3HZ LYS 14 -8.226 -2.345 -15.450
113 HZ2 LYS 14 1HZ LYS 14 -7.108 -3.566 -15.100
114 HZ3 LYS 14 2HZ LYS 14 -6.582 -1.972 -15.306
115 H LYS 15 H LYS 15 -11.883 -0.761 -7.753
116 HA LYS 15 HA LYS 15 -14.648 -1.407 -8.266
117 HB2 LYS 15 2HB LYS 15 -13.300 0.185 -6.081
118 HB3 LYS 15 3HB LYS 15 -15.034 -0.100 -6.149
119 HG2 LYS 15 2HG LYS 15 -12.904 -2.218 -5.934
120 HG3 LYS 15 3HG LYS 15 -13.945 -1.649 -4.627
121 HD2 LYS 15 2HD LYS 15 -14.850 -3.030 -7.154
122 HD3 LYS 15 3HD LYS 15 -14.777 -3.748 -5.543
123 HE2 LYS 15 2HE LYS 15 -16.513 -1.433 -6.396
124 HE3 LYS 15 3HE LYS 15 -17.052 -3.082 -6.083
125 HZ1 LYS 15 3HZ LYS 15 -16.149 -2.753 -3.771
126 HZ2 LYS 15 1HZ LYS 15 -17.531 -1.856 -4.155
127 HZ3 LYS 15 2HZ LYS 15 -16.015 -1.107 -4.136
128 H ARG 16 H ARG 16 -13.466 1.744 -7.185
129 HA ARG 16 HA ARG 16 -15.381 3.072 -8.886
130 HB2 ARG 16 2HB ARG 16 -13.514 3.898 -6.711
131 HB3 ARG 16 3HB ARG 16 -14.075 5.129 -7.834
132 HG2 ARG 16 2HG ARG 16 -15.947 3.313 -6.344
133 HG3 ARG 16 3HG ARG 16 -15.401 4.867 -5.709
134 HD2 ARG 16 2HD ARG 16 -16.218 5.814 -7.969
135 HD3 ARG 16 3HD ARG 16 -17.108 4.298 -8.105
136 HE ARG 16 HE ARG 16 -18.569 5.051 -6.509
137 HH11 ARG 16 1HH1 ARG 16 -15.718 7.049 -6.489
138 HH12 ARG 16 2HH1 ARG 16 -16.385 8.218 -5.398
139 HH21 ARG 16 1HH2 ARG 16 -19.459 6.583 -5.072
140 HH22 ARG 16 2HH2 ARG 16 -18.513 7.951 -4.592
141 H ILE 17 H ILE 17 -12.053 2.233 -9.018
142 HA ILE 17 HA ILE 17 -11.213 4.267 -10.837
143 HB ILE 17 HB ILE 17 -9.314 2.583 -11.288
144 HG12 ILE 17 2HG1 ILE 17 -10.991 0.825 -10.046
145 HG13 ILE 17 3HG1 ILE 17 -9.250 0.605 -10.194
146 HG21 ILE 17 1HG2 ILE 17 -8.936 4.489 -9.920
147 HG22 ILE 17 2HG2 ILE 17 -9.843 3.787 -8.581
148 HG23 ILE 17 3HG2 ILE 17 -8.290 3.097 -9.052
149 HD11 ILE 17 3HD1 ILE 17 -8.874 1.375 -7.998
150 HD12 ILE 17 1HD1 ILE 17 -10.522 1.983 -7.851
151 HD13 ILE 17 2HD1 ILE 17 -10.225 0.245 -7.907
152 H SER 18 H SER 18 -12.506 1.014 -11.169
153 HA SER 18 HA SER 18 -11.965 0.595 -13.879
154 HB2 SER 18 2HB SER 18 -12.717 -1.317 -12.803
155 HB3 SER 18 3HB SER 18 -14.014 -0.464 -11.968
156 HG SER 18 HG SER 18 -15.253 -1.116 -13.520
157 H VAL 19 H VAL 19 -15.004 1.747 -12.404
158 HA VAL 19 HA VAL 19 -16.286 2.381 -14.817
159 HB VAL 19 HB VAL 19 -17.556 2.166 -12.769
160 HG11 VAL 19 1HG1 VAL 19 -15.811 3.087 -11.264
161 HG12 VAL 19 2HG1 VAL 19 -16.228 4.706 -11.830
162 HG13 VAL 19 3HG1 VAL 19 -17.419 3.741 -10.956
163 HG21 VAL 19 3HG2 VAL 19 -19.115 3.598 -13.486
164 HG22 VAL 19 1HG2 VAL 19 -18.097 4.999 -13.153
165 HG23 VAL 19 2HG2 VAL 19 -17.922 4.124 -14.674
166 H LYS 20 H LYS 20 -14.228 4.304 -12.689
167 HA LYS 20 HA LYS 20 -14.614 6.790 -13.955
168 HB2 LYS 20 2HB LYS 20 -13.536 6.331 -11.691
169 HB3 LYS 20 3HB LYS 20 -12.074 5.922 -12.580
170 HG2 LYS 20 2HG LYS 20 -13.328 8.518 -13.223
171 HG3 LYS 20 3HG LYS 20 -12.576 8.365 -11.633
172 HD2 LYS 20 2HD LYS 20 -11.054 7.394 -13.995
173 HD3 LYS 20 3HD LYS 20 -11.203 9.138 -13.767
174 HE2 LYS 20 2HE LYS 20 -9.285 8.717 -12.583
175 HE3 LYS 20 3HE LYS 20 -10.494 8.560 -11.309
176 HZ1 LYS 20 3HZ LYS 20 -10.307 6.272 -11.298
177 HZ2 LYS 20 1HZ LYS 20 -8.705 6.751 -11.556
178 HZ3 LYS 20 2HZ LYS 20 -9.642 6.197 -12.852
179 H LYS 21 H LYS 21 -12.307 4.177 -14.517
180 HA LYS 21 HA LYS 21 -10.707 5.518 -16.412
181 HB2 LYS 21 2HB LYS 21 -9.990 3.460 -15.285
182 HB3 LYS 21 3HB LYS 21 -11.253 2.558 -16.113
183 HG2 LYS 21 2HG LYS 21 -9.331 4.065 -17.790
184 HG3 LYS 21 3HG LYS 21 -8.745 2.616 -16.970
185 HD2 LYS 21 2HD LYS 21 -10.879 1.506 -17.935
186 HD3 LYS 21 3HD LYS 21 -10.895 2.882 -19.040
187 HE2 LYS 21 2HE LYS 21 -9.659 1.386 -20.257
188 HE3 LYS 21 3HE LYS 21 -8.376 2.223 -19.385
189 HZ1 LYS 21 3HZ LYS 21 -9.473 -0.049 -17.986
190 HZ2 LYS 21 1HZ LYS 21 -7.859 0.390 -18.241
191 HZ3 LYS 21 2HZ LYS 21 -8.708 -0.446 -19.442
192 H LYS 22 H LYS 22 -13.595 3.504 -16.741
193 HA LYS 22 HA LYS 22 -13.642 3.337 -19.537
194 HB2 LYS 22 2HB LYS 22 -15.980 3.377 -17.619
195 HB3 LYS 22 3HB LYS 22 -16.031 2.814 -19.285
196 HG2 LYS 22 2HG LYS 22 -14.063 1.562 -17.449
197 HG3 LYS 22 3HG LYS 22 -15.769 1.148 -17.260
198 HD2 LYS 22 2HD LYS 22 -15.903 0.351 -19.501
199 HD3 LYS 22 3HD LYS 22 -14.311 1.004 -19.894
200 HE2 LYS 22 2HE LYS 22 -13.202 -0.643 -18.695
201 HE3 LYS 22 3HE LYS 22 -14.614 -1.017 -17.709
202 HZ1 LYS 22 3HZ LYS 22 -15.267 -2.545 -19.160
203 HZ2 LYS 22 1HZ LYS 22 -13.770 -2.379 -19.930
204 HZ3 LYS 22 2HZ LYS 22 -15.104 -1.494 -20.475
205 H GLN 23 H GLN 23 -14.277 5.968 -17.437
206 HA GLN 23 HA GLN 23 -15.964 7.431 -19.248
207 HB2 GLN 23 2HB GLN 23 -14.451 8.377 -16.807
208 HB3 GLN 23 3HB GLN 23 -15.695 9.283 -17.658
209 HG2 GLN 23 2HG GLN 23 -16.392 6.582 -16.651
210 HG3 GLN 23 3HG GLN 23 -16.212 7.886 -15.478
211 HE21 GLN 23 1HE2 GLN 23 -18.517 7.374 -15.143
212 HE22 GLN 23 2HE2 GLN 23 -19.681 8.172 -16.140
213 H GLU 24 H GLU 24 -12.594 6.955 -18.856
214 HA GLU 24 HA GLU 24 -11.747 9.415 -20.058
215 HB2 GLU 24 2HB GLU 24 -10.321 6.818 -19.488
216 HB3 GLU 24 3HB GLU 24 -9.532 8.197 -20.240
217 HG2 GLU 24 2HG GLU 24 -10.741 8.073 -17.490
218 HG3 GLU 24 3HG GLU 24 -9.032 8.196 -17.904
219 H GLN 25 H GLN 25 -10.016 8.937 -21.984
220 HA GLN 25 HA GLN 25 -11.573 8.543 -24.275
221 HB2 GLN 25 2HB GLN 25 -9.327 8.409 -25.453
222 HB3 GLN 25 3HB GLN 25 -9.623 9.859 -24.503
223 HG2 GLN 25 2HG GLN 25 -8.094 9.286 -22.891
224 HG3 GLN 25 3HG GLN 25 -8.209 7.562 -23.243
225 HE21 GLN 25 1HE2 GLN 25 -6.929 6.676 -24.805
226 HE22 GLN 25 2HE2 GLN 25 -5.664 7.540 -25.604
227 HA PRO 26 HA PRO 26 -11.661 4.210 -24.957
228 HB2 PRO 26 2HB PRO 26 -11.510 4.082 -27.664
229 HB3 PRO 26 3HB PRO 26 -12.951 4.641 -26.808
230 HG2 PRO 26 2HG PRO 26 -10.782 6.241 -28.110
231 HG3 PRO 26 3HG PRO 26 -12.537 6.491 -28.155
232 HD2 PRO 26 2HD PRO 26 -10.903 7.917 -26.534
233 HD3 PRO 26 3HD PRO 26 -12.571 7.507 -26.087
Start of MODEL 5
1 H1 VAL 1 H VAL 1 2.338 -0.330 0.868
2 HA VAL 1 HA VAL 1 2.575 0.073 -1.940
3 HB VAL 1 HB VAL 1 4.493 0.323 -0.424
4 HG11 VAL 1 1HG1 VAL 1 4.516 -2.678 -0.196
5 HG12 VAL 1 2HG1 VAL 1 5.556 -1.519 0.634
6 HG13 VAL 1 3HG1 VAL 1 3.842 -1.617 1.040
7 HG21 VAL 1 3HG2 VAL 1 5.640 -1.808 -1.970
8 HG22 VAL 1 1HG2 VAL 1 4.456 -0.925 -2.935
9 HG23 VAL 1 2HG2 VAL 1 5.799 -0.064 -2.181
10 H SER 2 H SER 2 1.895 -2.688 0.089
11 HA SER 2 HA SER 2 2.292 -4.619 -2.011
12 HB2 SER 2 2HB SER 2 2.518 -4.987 0.545
13 HB3 SER 2 3HB SER 2 0.762 -5.149 0.525
14 HG SER 2 HG SER 2 2.547 -6.992 -0.051
15 H VAL 3 H VAL 3 -0.246 -2.572 -0.969
16 HA VAL 3 HA VAL 3 -2.388 -4.172 -2.061
17 HB VAL 3 HB VAL 3 -2.476 -1.271 -1.230
18 HG11 VAL 3 1HG1 VAL 3 -4.645 -3.344 -1.543
19 HG12 VAL 3 2HG1 VAL 3 -4.876 -1.702 -0.940
20 HG13 VAL 3 3HG1 VAL 3 -4.357 -1.966 -2.605
21 HG21 VAL 3 3HG2 VAL 3 -3.442 -2.212 0.904
22 HG22 VAL 3 1HG2 VAL 3 -2.839 -3.785 0.382
23 HG23 VAL 3 2HG2 VAL 3 -1.711 -2.460 0.673
24 H ASP 4 H ASP 4 -0.185 -1.786 -3.197
25 HA ASP 4 HA ASP 4 -1.647 -0.648 -5.295
26 HB2 ASP 4 2HB ASP 4 1.029 -0.584 -4.360
27 HB3 ASP 4 3HB ASP 4 1.092 -0.970 -6.077
28 HA PRO 5 HA PRO 5 0.160 -4.166 -8.094
29 HB2 PRO 5 2HB PRO 5 1.165 -6.341 -6.817
30 HB3 PRO 5 3HB PRO 5 2.152 -4.940 -7.250
31 HG2 PRO 5 2HG PRO 5 0.914 -5.644 -4.617
32 HG3 PRO 5 3HG PRO 5 2.536 -5.014 -4.958
33 HD2 PRO 5 2HD PRO 5 0.516 -3.440 -4.076
34 HD3 PRO 5 3HD PRO 5 1.786 -2.844 -5.165
35 H PHE 6 H PHE 6 -1.303 -5.113 -5.022
36 HA PHE 6 HA PHE 6 -2.626 -7.424 -5.878
37 HB2 PHE 6 2HB PHE 6 -2.341 -6.496 -3.492
38 HB3 PHE 6 3HB PHE 6 -3.774 -5.534 -3.836
39 HD1 PHE 6 HD1 PHE 6 -2.477 -8.896 -3.243
40 HD2 PHE 6 HD2 PHE 6 -5.946 -6.569 -4.061
41 HE1 PHE 6 HE1 PHE 6 -3.900 -10.801 -2.611
42 HE2 PHE 6 HE2 PHE 6 -7.374 -8.470 -3.429
43 HZ PHE 6 HZ PHE 6 -6.352 -10.589 -2.702
44 H TYR 7 H TYR 7 -3.899 -4.106 -5.588
45 HA TYR 7 HA TYR 7 -6.350 -4.762 -6.907
46 HB2 TYR 7 2HB TYR 7 -7.026 -2.737 -6.193
47 HB3 TYR 7 3HB TYR 7 -5.513 -2.699 -5.295
48 HD1 TYR 7 HD2 TYR 7 -3.573 -1.449 -6.196
49 HD2 TYR 7 HD1 TYR 7 -7.385 -1.315 -8.080
50 HE1 TYR 7 HE2 TYR 7 -2.880 0.555 -7.441
51 HE2 TYR 7 HE1 TYR 7 -6.702 0.689 -9.332
52 HH TYR 7 HH TYR 7 -3.941 2.484 -8.563
53 H GLU 8 H GLU 8 -3.209 -3.936 -7.960
54 HA GLU 8 HA GLU 8 -3.983 -2.795 -10.483
55 HB2 GLU 8 2HB GLU 8 -1.436 -3.490 -9.130
56 HB3 GLU 8 3HB GLU 8 -1.412 -3.462 -10.887
57 HG2 GLU 8 2HG GLU 8 -2.271 -1.165 -10.850
58 HG3 GLU 8 3HG GLU 8 -2.241 -1.197 -9.088
59 H MET 9 H MET 9 -2.893 -5.950 -9.330
60 HA MET 9 HA MET 9 -2.889 -7.104 -11.969
61 HB2 MET 9 2HB MET 9 -2.300 -9.170 -10.876
62 HB3 MET 9 3HB MET 9 -1.354 -7.867 -10.168
63 HG2 MET 9 2HG MET 9 -2.996 -7.780 -8.301
64 HG3 MET 9 3HG MET 9 -3.770 -9.208 -8.985
65 HE1 MET 9 3HE MET 9 -0.185 -7.945 -8.548
66 HE2 MET 9 1HE MET 9 -0.612 -7.943 -6.836
67 HE3 MET 9 2HE MET 9 0.564 -9.105 -7.450
68 H LEU 10 H LEU 10 -5.009 -7.127 -9.148
69 HA LEU 10 HA LEU 10 -6.870 -8.973 -10.346
70 HB2 LEU 10 2HB LEU 10 -6.728 -7.428 -7.803
71 HB3 LEU 10 3HB LEU 10 -8.287 -8.061 -8.327
72 HG LEU 10 HG LEU 10 -6.574 -10.236 -8.520
73 HD11 LEU 10 1HD1 LEU 10 -4.854 -9.040 -7.286
74 HD12 LEU 10 2HD1 LEU 10 -5.511 -10.361 -6.319
75 HD13 LEU 10 3HD1 LEU 10 -6.000 -8.699 -5.989
76 HD21 LEU 10 3HD2 LEU 10 -8.047 -11.206 -7.066
77 HD22 LEU 10 1HD2 LEU 10 -8.996 -9.807 -7.569
78 HD23 LEU 10 2HD2 LEU 10 -8.136 -9.781 -6.029
79 H ALA 11 H ALA 11 -8.571 -8.503 -11.585
80 HA ALA 11 HA ALA 11 -9.019 -5.775 -12.399
81 HB1 ALA 11 1HB ALA 11 -10.910 -6.990 -13.744
82 HB2 ALA 11 2HB ALA 11 -9.218 -7.180 -14.204
83 HB3 ALA 11 3HB ALA 11 -10.025 -8.441 -13.274
84 H ALA 12 H ALA 12 -10.762 -8.235 -10.558
85 HA ALA 12 HA ALA 12 -13.161 -6.750 -10.257
86 HB1 ALA 12 1HB ALA 12 -12.077 -9.269 -9.295
87 HB2 ALA 12 2HB ALA 12 -13.062 -8.445 -8.086
88 HB3 ALA 12 3HB ALA 12 -13.742 -8.821 -9.669
89 H ARG 13 H ARG 13 -10.086 -6.428 -8.862
90 HA ARG 13 HA ARG 13 -10.922 -5.340 -6.340
91 HB2 ARG 13 2HB ARG 13 -8.433 -6.051 -7.621
92 HB3 ARG 13 3HB ARG 13 -8.313 -4.457 -6.888
93 HG2 ARG 13 2HG ARG 13 -9.139 -6.995 -5.496
94 HG3 ARG 13 3HG ARG 13 -7.586 -6.171 -5.341
95 HD2 ARG 13 2HD ARG 13 -8.943 -4.144 -4.578
96 HD3 ARG 13 3HD ARG 13 -10.291 -5.266 -4.402
97 HE ARG 13 HE ARG 13 -9.270 -6.170 -2.546
98 HH11 ARG 13 1HH1 ARG 13 -7.066 -4.040 -4.196
99 HH12 ARG 13 2HH1 ARG 13 -5.900 -4.040 -2.914
100 HH21 ARG 13 1HH2 ARG 13 -7.743 -6.179 -0.851
101 HH22 ARG 13 2HH2 ARG 13 -6.286 -5.258 -1.012
102 H LYS 14 H LYS 14 -10.544 -4.141 -9.531
103 HA LYS 14 HA LYS 14 -10.176 -1.383 -8.781
104 HB2 LYS 14 2HB LYS 14 -10.775 -2.740 -11.409
105 HB3 LYS 14 3HB LYS 14 -10.634 -0.994 -11.247
106 HG2 LYS 14 2HG LYS 14 -8.468 -1.247 -11.647
107 HG3 LYS 14 3HG LYS 14 -8.341 -1.962 -10.038
108 HD2 LYS 14 2HD LYS 14 -7.383 -3.593 -11.369
109 HD3 LYS 14 3HD LYS 14 -9.052 -4.154 -11.247
110 HE2 LYS 14 2HE LYS 14 -8.215 -2.366 -13.497
111 HE3 LYS 14 3HE LYS 14 -7.880 -4.096 -13.566
112 HZ1 LYS 14 3HZ LYS 14 -10.432 -4.158 -12.892
113 HZ2 LYS 14 1HZ LYS 14 -9.919 -4.105 -14.504
114 HZ3 LYS 14 2HZ LYS 14 -10.425 -2.689 -13.731
115 H LYS 15 H LYS 15 -11.846 -0.600 -7.601
116 HA LYS 15 HA LYS 15 -14.589 -1.155 -8.307
117 HB2 LYS 15 2HB LYS 15 -13.347 0.640 -6.219
118 HB3 LYS 15 3HB LYS 15 -15.082 0.448 -6.429
119 HG2 LYS 15 2HG LYS 15 -13.135 -1.737 -5.721
120 HG3 LYS 15 3HG LYS 15 -14.256 -0.939 -4.615
121 HD2 LYS 15 2HD LYS 15 -15.003 -2.599 -7.022
122 HD3 LYS 15 3HD LYS 15 -15.139 -3.093 -5.333
123 HE2 LYS 15 2HE LYS 15 -16.620 -0.828 -6.666
124 HE3 LYS 15 3HE LYS 15 -17.298 -2.383 -6.189
125 HZ1 LYS 15 3HZ LYS 15 -17.865 -1.222 -4.362
126 HZ2 LYS 15 1HZ LYS 15 -16.644 -0.067 -4.561
127 HZ3 LYS 15 2HZ LYS 15 -16.282 -1.571 -3.876
128 H ARG 16 H ARG 16 -13.295 2.042 -7.529
129 HA ARG 16 HA ARG 16 -14.945 3.231 -9.578
130 HB2 ARG 16 2HB ARG 16 -14.767 4.363 -7.447
131 HB3 ARG 16 3HB ARG 16 -13.015 4.432 -7.587
132 HG2 ARG 16 2HG ARG 16 -13.969 6.589 -8.078
133 HG3 ARG 16 3HG ARG 16 -13.247 5.908 -9.537
134 HD2 ARG 16 2HD ARG 16 -15.320 5.444 -10.493
135 HD3 ARG 16 3HD ARG 16 -16.157 5.523 -8.943
136 HE ARG 16 HE ARG 16 -15.646 7.688 -10.720
137 HH11 ARG 16 1HH1 ARG 16 -15.963 6.855 -7.355
138 HH12 ARG 16 2HH1 ARG 16 -16.459 8.444 -6.874
139 HH21 ARG 16 1HH2 ARG 16 -16.298 9.784 -10.099
140 HH22 ARG 16 2HH2 ARG 16 -16.649 10.109 -8.436
141 H ILE 17 H ILE 17 -11.687 2.196 -9.254
142 HA ILE 17 HA ILE 17 -10.540 3.915 -11.225
143 HB ILE 17 HB ILE 17 -8.719 2.093 -11.246
144 HG12 ILE 17 2HG1 ILE 17 -10.621 0.605 -9.975
145 HG13 ILE 17 3HG1 ILE 17 -8.892 0.279 -9.908
146 HG21 ILE 17 1HG2 ILE 17 -8.356 4.144 -10.101
147 HG22 ILE 17 2HG2 ILE 17 -9.437 3.676 -8.789
148 HG23 ILE 17 3HG2 ILE 17 -7.893 2.849 -8.996
149 HD11 ILE 17 3HD1 ILE 17 -10.296 2.023 -7.910
150 HD12 ILE 17 1HD1 ILE 17 -10.114 0.280 -7.711
151 HD13 ILE 17 2HD1 ILE 17 -8.686 1.312 -7.800
152 H SER 18 H SER 18 -12.013 0.723 -11.256
153 HA SER 18 HA SER 18 -11.239 -0.101 -13.812
154 HB2 SER 18 2HB SER 18 -12.224 -1.798 -12.575
155 HB3 SER 18 3HB SER 18 -13.536 -0.765 -12.009
156 HG SER 18 HG SER 18 -14.628 -1.682 -13.551
157 H VAL 19 H VAL 19 -14.317 1.418 -12.838
158 HA VAL 19 HA VAL 19 -15.303 1.778 -15.442
159 HB VAL 19 HB VAL 19 -16.785 1.910 -13.532
160 HG11 VAL 19 1HG1 VAL 19 -16.734 3.710 -11.940
161 HG12 VAL 19 2HG1 VAL 19 -15.142 2.948 -11.985
162 HG13 VAL 19 3HG1 VAL 19 -15.407 4.489 -12.801
163 HG21 VAL 19 3HG2 VAL 19 -16.851 3.572 -15.714
164 HG22 VAL 19 1HG2 VAL 19 -18.173 3.323 -14.573
165 HG23 VAL 19 2HG2 VAL 19 -17.079 4.691 -14.370
166 H LYS 20 H LYS 20 -13.352 3.862 -13.365
167 HA LYS 20 HA LYS 20 -13.443 6.186 -14.932
168 HB2 LYS 20 2HB LYS 20 -12.601 6.134 -12.619
169 HB3 LYS 20 3HB LYS 20 -11.208 5.199 -13.148
170 HG2 LYS 20 2HG LYS 20 -10.493 7.441 -12.910
171 HG3 LYS 20 3HG LYS 20 -10.603 7.119 -14.642
172 HD2 LYS 20 2HD LYS 20 -12.609 8.347 -14.843
173 HD3 LYS 20 3HD LYS 20 -12.850 8.387 -13.095
174 HE2 LYS 20 2HE LYS 20 -12.068 10.519 -13.539
175 HE3 LYS 20 3HE LYS 20 -10.598 9.668 -13.066
176 HZ1 LYS 20 3HZ LYS 20 -11.358 10.756 -15.644
177 HZ2 LYS 20 1HZ LYS 20 -10.606 9.241 -15.695
178 HZ3 LYS 20 2HZ LYS 20 -9.823 10.550 -14.965
179 H LYS 21 H LYS 21 -11.299 3.381 -15.038
180 HA LYS 21 HA LYS 21 -9.554 4.434 -17.021
181 HB2 LYS 21 2HB LYS 21 -9.197 2.455 -15.372
182 HB3 LYS 21 3HB LYS 21 -10.009 1.495 -16.602
183 HG2 LYS 21 2HG LYS 21 -7.688 1.259 -16.968
184 HG3 LYS 21 3HG LYS 21 -8.294 2.324 -18.238
185 HD2 LYS 21 2HD LYS 21 -7.318 4.211 -17.294
186 HD3 LYS 21 3HD LYS 21 -7.189 3.465 -15.699
187 HE2 LYS 21 2HE LYS 21 -5.552 1.835 -16.803
188 HE3 LYS 21 3HE LYS 21 -5.509 2.981 -18.142
189 HZ1 LYS 21 3HZ LYS 21 -5.140 4.508 -15.899
190 HZ2 LYS 21 1HZ LYS 21 -3.945 4.037 -17.000
191 HZ3 LYS 21 2HZ LYS 21 -4.218 3.121 -15.605
192 H LYS 22 H LYS 22 -12.420 2.370 -17.122
193 HA LYS 22 HA LYS 22 -12.331 1.712 -19.847
194 HB2 LYS 22 2HB LYS 22 -14.453 1.779 -17.755
195 HB3 LYS 22 3HB LYS 22 -14.957 1.638 -19.434
196 HG2 LYS 22 2HG LYS 22 -12.804 -0.190 -18.665
197 HG3 LYS 22 3HG LYS 22 -14.327 -0.446 -17.810
198 HD2 LYS 22 2HD LYS 22 -14.686 -1.753 -19.653
199 HD3 LYS 22 3HD LYS 22 -15.326 -0.218 -20.245
200 HE2 LYS 22 2HE LYS 22 -12.438 -0.667 -20.653
201 HE3 LYS 22 3HE LYS 22 -13.519 -1.707 -21.579
202 HZ1 LYS 22 3HZ LYS 22 -14.461 0.935 -21.713
203 HZ2 LYS 22 1HZ LYS 22 -13.890 -0.044 -22.969
204 HZ3 LYS 22 2HZ LYS 22 -12.816 0.938 -22.107
205 H GLN 23 H GLN 23 -13.078 4.659 -18.268
206 HA GLN 23 HA GLN 23 -14.788 5.806 -20.212
207 HB2 GLN 23 2HB GLN 23 -12.923 7.163 -18.257
208 HB3 GLN 23 3HB GLN 23 -14.218 7.952 -19.148
209 HG2 GLN 23 2HG GLN 23 -15.575 5.944 -17.942
210 HG3 GLN 23 3HG GLN 23 -14.323 6.275 -16.746
211 HE21 GLN 23 1HE2 GLN 23 -17.197 6.730 -16.610
212 HE22 GLN 23 2HE2 GLN 23 -17.402 8.418 -16.305
213 H GLU 24 H GLU 24 -14.140 5.820 -22.286
214 HA GLU 24 HA GLU 24 -11.460 6.151 -23.133
215 HB2 GLU 24 2HB GLU 24 -12.426 6.402 -25.392
216 HB3 GLU 24 3HB GLU 24 -13.076 5.010 -24.536
217 HG2 GLU 24 2HG GLU 24 -15.061 6.385 -23.940
218 HG3 GLU 24 3HG GLU 24 -14.423 7.663 -24.973
219 H GLN 25 H GLN 25 -14.182 8.379 -22.822
220 HA GLN 25 HA GLN 25 -12.997 10.603 -24.062
221 HB2 GLN 25 2HB GLN 25 -15.242 10.194 -22.146
222 HB3 GLN 25 3HB GLN 25 -14.626 11.827 -22.354
223 HG2 GLN 25 2HG GLN 25 -15.295 11.945 -24.557
224 HG3 GLN 25 3HG GLN 25 -15.336 10.192 -24.746
225 HE21 GLN 25 1HE2 GLN 25 -17.086 13.002 -23.909
226 HE22 GLN 25 2HE2 GLN 25 -18.599 12.239 -23.572
227 HA PRO 26 HA PRO 26 -10.086 12.188 -21.191
228 HB2 PRO 26 2HB PRO 26 -10.502 14.866 -21.348
229 HB3 PRO 26 3HB PRO 26 -9.743 13.934 -22.644
230 HG2 PRO 26 2HG PRO 26 -12.576 14.871 -22.393
231 HG3 PRO 26 3HG PRO 26 -11.514 14.887 -23.813
232 HD2 PRO 26 2HD PRO 26 -13.417 12.998 -23.438
233 HD3 PRO 26 3HD PRO 26 -11.887 12.660 -24.274
Start of MODEL 6
1 H1 VAL 1 H VAL 1 2.028 0.195 0.317
2 HA VAL 1 HA VAL 1 2.292 0.519 -2.521
3 HB VAL 1 HB VAL 1 4.185 -0.893 -0.639
4 HG11 VAL 1 1HG1 VAL 1 5.837 -0.020 -2.408
5 HG12 VAL 1 2HG1 VAL 1 4.845 -1.423 -2.812
6 HG13 VAL 1 3HG1 VAL 1 4.414 0.171 -3.432
7 HG21 VAL 1 3HG2 VAL 1 3.566 1.953 -0.999
8 HG22 VAL 1 1HG2 VAL 1 4.342 1.119 0.347
9 HG23 VAL 1 2HG2 VAL 1 5.282 1.555 -1.080
10 H SER 2 H SER 2 1.711 -2.150 -0.325
11 HA SER 2 HA SER 2 2.097 -4.172 -2.341
12 HB2 SER 2 2HB SER 2 2.591 -4.856 -0.119
13 HB3 SER 2 3HB SER 2 1.057 -4.236 0.493
14 HG SER 2 HG SER 2 1.522 -6.517 -1.111
15 H VAL 3 H VAL 3 -0.462 -2.141 -1.322
16 HA VAL 3 HA VAL 3 -2.592 -3.847 -2.267
17 HB VAL 3 HB VAL 3 -4.049 -1.887 -1.851
18 HG11 VAL 3 1HG1 VAL 3 -2.810 -1.770 0.690
19 HG12 VAL 3 2HG1 VAL 3 -4.193 -2.747 0.190
20 HG13 VAL 3 3HG1 VAL 3 -2.557 -3.394 0.051
21 HG21 VAL 3 3HG2 VAL 3 -3.223 0.157 -0.996
22 HG22 VAL 3 1HG2 VAL 3 -1.602 -0.504 -0.780
23 HG23 VAL 3 2HG2 VAL 3 -2.228 -0.217 -2.404
24 H ASP 4 H ASP 4 -0.491 -1.461 -3.584
25 HA ASP 4 HA ASP 4 -2.044 -0.466 -5.688
26 HB2 ASP 4 2HB ASP 4 0.659 -0.294 -4.843
27 HB3 ASP 4 3HB ASP 4 0.674 -0.752 -6.544
28 HA PRO 5 HA PRO 5 -0.229 -4.071 -8.368
29 HB2 PRO 5 2HB PRO 5 0.868 -6.156 -7.019
30 HB3 PRO 5 3HB PRO 5 1.806 -4.754 -7.548
31 HG2 PRO 5 2HG PRO 5 0.662 -5.358 -4.848
32 HG3 PRO 5 3HG PRO 5 2.257 -4.706 -5.267
33 HD2 PRO 5 2HD PRO 5 0.225 -3.140 -4.402
34 HD3 PRO 5 3HD PRO 5 1.447 -2.568 -5.556
35 H PHE 6 H PHE 6 -1.661 -4.800 -5.241
36 HA PHE 6 HA PHE 6 -2.904 -7.225 -5.872
37 HB2 PHE 6 2HB PHE 6 -2.676 -6.000 -3.593
38 HB3 PHE 6 3HB PHE 6 -4.179 -5.205 -4.050
39 HD1 PHE 6 HD1 PHE 6 -2.614 -8.406 -3.179
40 HD2 PHE 6 HD2 PHE 6 -6.257 -6.389 -4.058
41 HE1 PHE 6 HE1 PHE 6 -3.882 -10.340 -2.340
42 HE2 PHE 6 HE2 PHE 6 -7.532 -8.319 -3.219
43 HZ PHE 6 HZ PHE 6 -6.345 -10.298 -2.358
44 H TYR 7 H TYR 7 -4.378 -3.976 -5.809
45 HA TYR 7 HA TYR 7 -6.741 -4.845 -7.145
46 HB2 TYR 7 2HB TYR 7 -7.542 -2.760 -6.720
47 HB3 TYR 7 3HB TYR 7 -6.174 -2.704 -5.613
48 HD1 TYR 7 HD1 TYR 7 -4.103 -1.498 -6.273
49 HD2 TYR 7 HD2 TYR 7 -7.632 -1.359 -8.646
50 HE1 TYR 7 HE1 TYR 7 -3.226 0.475 -7.450
51 HE2 TYR 7 HE2 TYR 7 -6.764 0.615 -9.830
52 HH TYR 7 HH TYR 7 -3.798 2.204 -8.824
53 H GLU 8 H GLU 8 -3.632 -3.863 -8.194
54 HA GLU 8 HA GLU 8 -4.384 -2.918 -10.785
55 HB2 GLU 8 2HB GLU 8 -1.849 -3.520 -9.368
56 HB3 GLU 8 3HB GLU 8 -1.801 -3.582 -11.125
57 HG2 GLU 8 2HG GLU 8 -2.821 -1.226 -9.560
58 HG3 GLU 8 3HG GLU 8 -1.161 -1.389 -10.133
59 H MET 9 H MET 9 -3.221 -5.996 -9.486
60 HA MET 9 HA MET 9 -3.225 -7.270 -12.071
61 HB2 MET 9 2HB MET 9 -2.541 -9.257 -10.908
62 HB3 MET 9 3HB MET 9 -1.650 -7.898 -10.237
63 HG2 MET 9 2HG MET 9 -3.232 -7.824 -8.354
64 HG3 MET 9 3HG MET 9 -4.050 -9.238 -9.016
65 HE1 MET 9 3HE MET 9 -2.963 -11.214 -9.687
66 HE2 MET 9 1HE MET 9 -1.274 -11.646 -9.415
67 HE3 MET 9 2HE MET 9 -2.503 -12.109 -8.237
68 H LEU 10 H LEU 10 -5.305 -7.207 -9.222
69 HA LEU 10 HA LEU 10 -7.130 -9.161 -10.295
70 HB2 LEU 10 2HB LEU 10 -6.939 -7.525 -7.827
71 HB3 LEU 10 3HB LEU 10 -8.535 -8.105 -8.298
72 HG LEU 10 HG LEU 10 -7.041 -10.387 -8.454
73 HD11 LEU 10 1HD1 LEU 10 -5.183 -8.939 -7.388
74 HD12 LEU 10 2HD1 LEU 10 -5.506 -10.542 -6.729
75 HD13 LEU 10 3HD1 LEU 10 -6.127 -9.110 -5.908
76 HD21 LEU 10 3HD2 LEU 10 -8.191 -9.720 -5.809
77 HD22 LEU 10 1HD2 LEU 10 -8.446 -11.130 -6.837
78 HD23 LEU 10 2HD2 LEU 10 -9.266 -9.612 -7.204
79 H ALA 11 H ALA 11 -8.930 -8.813 -11.451
80 HA ALA 11 HA ALA 11 -9.425 -6.166 -12.477
81 HB1 ALA 11 1HB ALA 11 -10.961 -7.199 -13.977
82 HB2 ALA 11 2HB ALA 11 -9.549 -8.250 -13.859
83 HB3 ALA 11 3HB ALA 11 -11.030 -8.661 -12.993
84 H ALA 12 H ALA 12 -11.341 -8.561 -10.661
85 HA ALA 12 HA ALA 12 -13.606 -6.961 -10.275
86 HB1 ALA 12 1HB ALA 12 -13.890 -9.238 -9.852
87 HB2 ALA 12 2HB ALA 12 -12.489 -9.310 -8.782
88 HB3 ALA 12 3HB ALA 12 -13.962 -8.497 -8.253
89 H ARG 13 H ARG 13 -10.498 -6.823 -8.830
90 HA ARG 13 HA ARG 13 -11.221 -5.611 -6.365
91 HB2 ARG 13 2HB ARG 13 -8.717 -6.060 -7.887
92 HB3 ARG 13 3HB ARG 13 -8.699 -4.740 -6.726
93 HG2 ARG 13 2HG ARG 13 -9.766 -7.346 -5.809
94 HG3 ARG 13 3HG ARG 13 -8.026 -7.218 -6.075
95 HD2 ARG 13 2HD ARG 13 -8.566 -6.703 -3.767
96 HD3 ARG 13 3HD ARG 13 -7.957 -5.266 -4.588
97 HE ARG 13 HE ARG 13 -10.718 -5.748 -3.739
98 HH11 ARG 13 1HH1 ARG 13 -8.327 -3.653 -5.160
99 HH12 ARG 13 2HH1 ARG 13 -9.302 -2.228 -5.017
100 HH21 ARG 13 1HH2 ARG 13 -12.011 -3.879 -3.547
101 HH22 ARG 13 2HH2 ARG 13 -11.397 -2.358 -4.099
102 H LYS 14 H LYS 14 -10.162 -4.317 -9.494
103 HA LYS 14 HA LYS 14 -10.075 -1.613 -8.775
104 HB2 LYS 14 2HB LYS 14 -10.728 -2.844 -11.458
105 HB3 LYS 14 3HB LYS 14 -10.295 -1.160 -11.196
106 HG2 LYS 14 2HG LYS 14 -8.087 -1.735 -10.554
107 HG3 LYS 14 3HG LYS 14 -8.493 -3.451 -10.462
108 HD2 LYS 14 2HD LYS 14 -7.331 -3.181 -12.497
109 HD3 LYS 14 3HD LYS 14 -9.035 -3.305 -12.939
110 HE2 LYS 14 2HE LYS 14 -8.277 -1.519 -14.220
111 HE3 LYS 14 3HE LYS 14 -9.025 -0.732 -12.831
112 HZ1 LYS 14 3HZ LYS 14 -6.604 -0.122 -13.697
113 HZ2 LYS 14 1HZ LYS 14 -6.189 -1.345 -12.605
114 HZ3 LYS 14 2HZ LYS 14 -7.050 0.009 -12.071
115 H LYS 15 H LYS 15 -11.762 -0.771 -7.673
116 HA LYS 15 HA LYS 15 -14.491 -1.307 -8.438
117 HB2 LYS 15 2HB LYS 15 -13.249 0.470 -6.340
118 HB3 LYS 15 3HB LYS 15 -14.984 0.394 -6.616
119 HG2 LYS 15 2HG LYS 15 -15.188 -1.649 -5.667
120 HG3 LYS 15 3HG LYS 15 -13.591 -2.179 -6.199
121 HD2 LYS 15 2HD LYS 15 -13.648 -1.949 -3.779
122 HD3 LYS 15 3HD LYS 15 -12.561 -0.751 -4.486
123 HE2 LYS 15 2HE LYS 15 -15.183 0.357 -4.347
124 HE3 LYS 15 3HE LYS 15 -14.778 -0.329 -2.775
125 HZ1 LYS 15 3HZ LYS 15 -12.542 1.055 -3.719
126 HZ2 LYS 15 1HZ LYS 15 -13.515 1.427 -2.385
127 HZ3 LYS 15 2HZ LYS 15 -13.881 2.072 -3.905
128 H ARG 16 H ARG 16 -13.071 1.869 -7.754
129 HA ARG 16 HA ARG 16 -14.719 3.080 -9.785
130 HB2 ARG 16 2HB ARG 16 -12.678 4.196 -7.862
131 HB3 ARG 16 3HB ARG 16 -13.534 5.188 -9.035
132 HG2 ARG 16 2HG ARG 16 -14.804 3.566 -6.838
133 HG3 ARG 16 3HG ARG 16 -14.567 5.315 -6.836
134 HD2 ARG 16 2HD ARG 16 -16.361 3.679 -8.610
135 HD3 ARG 16 3HD ARG 16 -16.815 4.948 -7.473
136 HE ARG 16 HE ARG 16 -16.005 5.293 -10.177
137 HH11 ARG 16 1HH1 ARG 16 -15.877 6.763 -7.025
138 HH12 ARG 16 2HH1 ARG 16 -15.729 8.377 -7.639
139 HH21 ARG 16 1HH2 ARG 16 -15.810 7.412 -10.999
140 HH22 ARG 16 2HH2 ARG 16 -15.692 8.744 -9.900
141 H ILE 17 H ILE 17 -11.300 2.362 -9.319
142 HA ILE 17 HA ILE 17 -10.238 3.786 -11.467
143 HB ILE 17 HB ILE 17 -8.464 1.926 -11.473
144 HG12 ILE 17 2HG1 ILE 17 -10.391 0.527 -10.110
145 HG13 ILE 17 3HG1 ILE 17 -8.677 0.127 -10.130
146 HG21 ILE 17 1HG2 ILE 17 -8.052 3.998 -10.370
147 HG22 ILE 17 2HG2 ILE 17 -9.093 3.553 -9.020
148 HG23 ILE 17 3HG2 ILE 17 -7.566 2.708 -9.270
149 HD11 ILE 17 3HD1 ILE 17 -8.317 1.203 -8.053
150 HD12 ILE 17 1HD1 ILE 17 -9.923 1.931 -8.078
151 HD13 ILE 17 2HD1 ILE 17 -9.747 0.188 -7.871
152 H SER 18 H SER 18 -11.790 0.631 -11.359
153 HA SER 18 HA SER 18 -11.109 -0.282 -13.913
154 HB2 SER 18 2HB SER 18 -12.085 -1.923 -12.593
155 HB3 SER 18 3HB SER 18 -13.363 -0.850 -12.022
156 HG SER 18 HG SER 18 -14.484 -1.184 -13.835
157 H VAL 19 H VAL 19 -14.226 1.159 -12.936
158 HA VAL 19 HA VAL 19 -15.199 1.534 -15.533
159 HB VAL 19 HB VAL 19 -16.695 1.618 -13.635
160 HG11 VAL 19 1HG1 VAL 19 -16.687 3.398 -12.019
161 HG12 VAL 19 2HG1 VAL 19 -15.082 2.667 -12.064
162 HG13 VAL 19 3HG1 VAL 19 -15.370 4.213 -12.861
163 HG21 VAL 19 3HG2 VAL 19 -17.188 4.356 -14.323
164 HG22 VAL 19 1HG2 VAL 19 -16.675 3.462 -15.754
165 HG23 VAL 19 2HG2 VAL 19 -18.064 2.908 -14.819
166 H LYS 20 H LYS 20 -13.308 3.654 -13.437
167 HA LYS 20 HA LYS 20 -13.450 5.978 -15.009
168 HB2 LYS 20 2HB LYS 20 -12.638 5.906 -12.665
169 HB3 LYS 20 3HB LYS 20 -11.183 5.087 -13.217
170 HG2 LYS 20 2HG LYS 20 -10.328 6.975 -14.206
171 HG3 LYS 20 3HG LYS 20 -11.917 7.716 -14.413
172 HD2 LYS 20 2HD LYS 20 -12.025 8.401 -12.193
173 HD3 LYS 20 3HD LYS 20 -10.809 7.232 -11.672
174 HE2 LYS 20 2HE LYS 20 -9.086 8.495 -12.862
175 HE3 LYS 20 3HE LYS 20 -10.300 9.655 -13.398
176 HZ1 LYS 20 3HZ LYS 20 -10.356 10.651 -11.400
177 HZ2 LYS 20 1HZ LYS 20 -8.818 9.971 -11.211
178 HZ3 LYS 20 2HZ LYS 20 -10.168 9.209 -10.535
179 H LYS 21 H LYS 21 -11.214 3.243 -15.062
180 HA LYS 21 HA LYS 21 -9.457 4.333 -17.006
181 HB2 LYS 21 2HB LYS 21 -8.822 2.495 -15.485
182 HB3 LYS 21 3HB LYS 21 -9.967 1.437 -16.298
183 HG2 LYS 21 2HG LYS 21 -7.879 2.771 -17.936
184 HG3 LYS 21 3HG LYS 21 -7.406 1.423 -16.899
185 HD2 LYS 21 2HD LYS 21 -9.461 0.237 -17.984
186 HD3 LYS 21 3HD LYS 21 -9.264 1.458 -19.243
187 HE2 LYS 21 2HE LYS 21 -6.972 -0.237 -18.297
188 HE3 LYS 21 3HE LYS 21 -8.071 -0.782 -19.562
189 HZ1 LYS 21 3HZ LYS 21 -6.481 0.229 -20.812
190 HZ2 LYS 21 1HZ LYS 21 -6.085 1.366 -19.624
191 HZ3 LYS 21 2HZ LYS 21 -7.488 1.562 -20.547
192 H LYS 22 H LYS 22 -12.271 2.199 -17.195
193 HA LYS 22 HA LYS 22 -12.071 1.752 -20.001
194 HB2 LYS 22 2HB LYS 22 -14.197 1.295 -17.936
195 HB3 LYS 22 3HB LYS 22 -14.575 1.105 -19.643
196 HG2 LYS 22 2HG LYS 22 -12.678 -0.516 -19.797
197 HG3 LYS 22 3HG LYS 22 -12.538 -0.421 -18.040
198 HD2 LYS 22 2HD LYS 22 -14.729 -1.313 -17.742
199 HD3 LYS 22 3HD LYS 22 -15.085 -1.172 -19.465
200 HE2 LYS 22 2HE LYS 22 -12.793 -2.851 -18.526
201 HE3 LYS 22 3HE LYS 22 -14.438 -3.484 -18.470
202 HZ1 LYS 22 3HZ LYS 22 -13.624 -2.252 -20.974
203 HZ2 LYS 22 1HZ LYS 22 -14.549 -3.643 -20.699
204 HZ3 LYS 22 2HZ LYS 22 -12.862 -3.712 -20.589
205 H GLN 23 H GLN 23 -13.253 4.334 -18.084
206 HA GLN 23 HA GLN 23 -15.160 5.377 -19.924
207 HB2 GLN 23 2HB GLN 23 -13.743 6.456 -17.512
208 HB3 GLN 23 3HB GLN 23 -14.673 7.538 -18.541
209 HG2 GLN 23 2HG GLN 23 -15.987 5.046 -17.625
210 HG3 GLN 23 3HG GLN 23 -15.726 6.324 -16.440
211 HE21 GLN 23 1HE2 GLN 23 -18.135 6.180 -16.472
212 HE22 GLN 23 2HE2 GLN 23 -18.975 7.183 -17.601
213 H GLU 24 H GLU 24 -14.817 6.414 -21.768
214 HA GLU 24 HA GLU 24 -12.192 6.966 -22.709
215 HB2 GLU 24 2HB GLU 24 -13.237 7.727 -24.719
216 HB3 GLU 24 3HB GLU 24 -14.146 6.334 -24.149
217 HG2 GLU 24 2HG GLU 24 -15.696 8.052 -23.044
218 HG3 GLU 24 3HG GLU 24 -14.915 9.226 -24.101
219 H GLN 25 H GLN 25 -11.386 9.049 -23.412
220 HA GLN 25 HA GLN 25 -11.558 11.012 -21.389
221 HB2 GLN 25 2HB GLN 25 -10.213 10.801 -24.039
222 HB3 GLN 25 3HB GLN 25 -10.361 12.397 -23.316
223 HG2 GLN 25 2HG GLN 25 -9.019 9.991 -22.106
224 HG3 GLN 25 3HG GLN 25 -8.233 11.432 -22.749
225 HE21 GLN 25 1HE2 GLN 25 -8.201 13.298 -21.549
226 HE22 GLN 25 2HE2 GLN 25 -8.682 13.359 -19.891
227 HA PRO 26 HA PRO 26 -14.842 13.639 -22.631
228 HB2 PRO 26 2HB PRO 26 -13.834 16.113 -22.143
229 HB3 PRO 26 3HB PRO 26 -14.304 14.996 -20.856
230 HG2 PRO 26 2HG PRO 26 -11.583 15.579 -21.958
231 HG3 PRO 26 3HG PRO 26 -12.087 15.381 -20.269
232 HD2 PRO 26 2HD PRO 26 -10.866 13.409 -21.666
233 HD3 PRO 26 3HD PRO 26 -12.069 13.080 -20.402
Start of MODEL 7
1 H1 VAL 1 H VAL 1 2.122 0.141 0.540
2 HA VAL 1 HA VAL 1 2.089 0.656 -2.229
3 HB VAL 1 HB VAL 1 4.420 -0.167 -2.232
4 HG11 VAL 1 1HG1 VAL 1 5.248 1.674 -1.157
5 HG12 VAL 1 2HG1 VAL 1 3.544 2.122 -1.256
6 HG13 VAL 1 3HG1 VAL 1 4.200 1.465 0.245
7 HG21 VAL 1 3HG2 VAL 1 4.490 -1.977 -0.775
8 HG22 VAL 1 1HG2 VAL 1 5.327 -0.713 0.126
9 HG23 VAL 1 2HG2 VAL 1 3.651 -1.105 0.507
10 H SER 2 H SER 2 1.779 -2.283 -0.377
11 HA SER 2 HA SER 2 2.196 -4.028 -2.631
12 HB2 SER 2 2HB SER 2 1.170 -4.545 0.167
13 HB3 SER 2 3HB SER 2 1.425 -5.808 -1.037
14 HG SER 2 HG SER 2 3.189 -5.024 0.610
15 H VAL 3 H VAL 3 -0.426 -2.277 -1.301
16 HA VAL 3 HA VAL 3 -2.497 -3.975 -2.382
17 HB VAL 3 HB VAL 3 -4.043 -2.183 -1.681
18 HG11 VAL 3 1HG1 VAL 3 -3.177 -3.982 -0.129
19 HG12 VAL 3 2HG1 VAL 3 -2.087 -2.761 0.531
20 HG13 VAL 3 3HG1 VAL 3 -3.834 -2.541 0.646
21 HG21 VAL 3 3HG2 VAL 3 -2.386 -0.556 -0.101
22 HG22 VAL 3 1HG2 VAL 3 -1.629 -0.633 -1.692
23 HG23 VAL 3 2HG2 VAL 3 -3.301 -0.092 -1.536
24 H ASP 4 H ASP 4 -0.573 -1.333 -3.461
25 HA ASP 4 HA ASP 4 -2.249 -0.184 -5.384
26 HB2 ASP 4 2HB ASP 4 0.466 0.041 -4.601
27 HB3 ASP 4 3HB ASP 4 0.451 -0.219 -6.343
28 HA PRO 5 HA PRO 5 -0.345 -3.339 -8.530
29 HB2 PRO 5 2HB PRO 5 0.901 -5.508 -7.473
30 HB3 PRO 5 3HB PRO 5 1.748 -4.004 -7.855
31 HG2 PRO 5 2HG PRO 5 0.729 -4.986 -5.217
32 HG3 PRO 5 3HG PRO 5 2.274 -4.204 -5.599
33 HD2 PRO 5 2HD PRO 5 0.196 -2.864 -4.495
34 HD3 PRO 5 3HD PRO 5 1.347 -2.093 -5.605
35 H PHE 6 H PHE 6 -1.660 -4.481 -5.481
36 HA PHE 6 HA PHE 6 -2.796 -6.887 -6.375
37 HB2 PHE 6 2HB PHE 6 -2.529 -5.974 -3.966
38 HB3 PHE 6 3HB PHE 6 -4.069 -5.172 -4.258
39 HD1 PHE 6 HD1 PHE 6 -2.389 -8.410 -3.876
40 HD2 PHE 6 HD2 PHE 6 -6.115 -6.409 -4.356
41 HE1 PHE 6 HE1 PHE 6 -3.574 -10.476 -3.260
42 HE2 PHE 6 HE2 PHE 6 -7.306 -8.472 -3.739
43 HZ PHE 6 HZ PHE 6 -6.035 -10.509 -3.189
44 H TYR 7 H TYR 7 -4.344 -3.705 -5.924
45 HA TYR 7 HA TYR 7 -6.747 -4.524 -7.245
46 HB2 TYR 7 2HB TYR 7 -7.611 -2.535 -6.552
47 HB3 TYR 7 3HB TYR 7 -6.215 -2.567 -5.480
48 HD1 TYR 7 HD1 TYR 7 -4.267 -1.147 -5.932
49 HD2 TYR 7 HD2 TYR 7 -7.741 -0.974 -8.382
50 HE1 TYR 7 HE1 TYR 7 -3.491 0.989 -6.871
51 HE2 TYR 7 HE2 TYR 7 -6.975 1.163 -9.328
52 HH TYR 7 HH TYR 7 -5.481 2.827 -9.144
53 H GLU 8 H GLU 8 -3.717 -3.338 -8.281
54 HA GLU 8 HA GLU 8 -4.614 -2.115 -10.714
55 HB2 GLU 8 2HB GLU 8 -2.010 -2.712 -9.438
56 HB3 GLU 8 3HB GLU 8 -2.005 -2.619 -11.194
57 HG2 GLU 8 2HG GLU 8 -2.960 -0.382 -11.090
58 HG3 GLU 8 3HG GLU 8 -2.995 -0.473 -9.330
59 H MET 9 H MET 9 -3.243 -5.251 -9.819
60 HA MET 9 HA MET 9 -3.294 -6.219 -12.535
61 HB2 MET 9 2HB MET 9 -2.517 -8.326 -11.589
62 HB3 MET 9 3HB MET 9 -1.574 -6.984 -10.954
63 HG2 MET 9 2HG MET 9 -3.314 -7.083 -9.003
64 HG3 MET 9 3HG MET 9 -3.551 -8.731 -9.581
65 HE1 MET 9 3HE MET 9 -1.877 -10.757 -8.575
66 HE2 MET 9 1HE MET 9 -1.549 -10.201 -10.217
67 HE3 MET 9 2HE MET 9 -0.217 -10.451 -9.088
68 H LEU 10 H LEU 10 -5.201 -6.671 -9.593
69 HA LEU 10 HA LEU 10 -6.982 -8.560 -10.845
70 HB2 LEU 10 2HB LEU 10 -6.902 -7.191 -8.180
71 HB3 LEU 10 3HB LEU 10 -8.313 -8.118 -8.685
72 HG LEU 10 HG LEU 10 -5.951 -9.702 -9.039
73 HD11 LEU 10 1HD1 LEU 10 -5.611 -9.882 -6.462
74 HD12 LEU 10 2HD1 LEU 10 -6.190 -8.217 -6.462
75 HD13 LEU 10 3HD1 LEU 10 -4.750 -8.649 -7.383
76 HD21 LEU 10 3HD2 LEU 10 -8.360 -9.902 -7.237
77 HD22 LEU 10 1HD2 LEU 10 -7.173 -11.186 -7.470
78 HD23 LEU 10 2HD2 LEU 10 -8.155 -10.636 -8.829
79 H ALA 11 H ALA 11 -8.793 -8.127 -11.929
80 HA ALA 11 HA ALA 11 -9.538 -5.386 -12.414
81 HB1 ALA 11 1HB ALA 11 -11.193 -6.350 -13.960
82 HB2 ALA 11 2HB ALA 11 -9.564 -6.962 -14.251
83 HB3 ALA 11 3HB ALA 11 -10.745 -7.964 -13.408
84 H ALA 12 H ALA 12 -10.927 -8.178 -10.753
85 HA ALA 12 HA ALA 12 -13.438 -7.045 -10.171
86 HB1 ALA 12 1HB ALA 12 -12.111 -9.473 -9.654
87 HB2 ALA 12 2HB ALA 12 -12.639 -8.840 -8.094
88 HB3 ALA 12 3HB ALA 12 -13.811 -9.086 -9.388
89 H ARG 13 H ARG 13 -10.320 -6.473 -8.865
90 HA ARG 13 HA ARG 13 -11.217 -5.491 -6.314
91 HB2 ARG 13 2HB ARG 13 -8.672 -5.977 -7.639
92 HB3 ARG 13 3HB ARG 13 -8.676 -4.458 -6.753
93 HG2 ARG 13 2HG ARG 13 -9.363 -7.162 -5.619
94 HG3 ARG 13 3HG ARG 13 -7.847 -6.290 -5.383
95 HD2 ARG 13 2HD ARG 13 -9.420 -4.392 -4.512
96 HD3 ARG 13 3HD ARG 13 -10.564 -5.714 -4.286
97 HE ARG 13 HE ARG 13 -9.285 -6.494 -2.540
98 HH11 ARG 13 1HH1 ARG 13 -7.531 -4.044 -4.284
99 HH12 ARG 13 2HH1 ARG 13 -6.275 -3.914 -3.098
100 HH21 ARG 13 1HH2 ARG 13 -7.637 -6.332 -0.971
101 HH22 ARG 13 2HH2 ARG 13 -6.336 -5.216 -1.215
102 H LYS 14 H LYS 14 -10.253 -4.090 -9.406
103 HA LYS 14 HA LYS 14 -10.214 -1.397 -8.645
104 HB2 LYS 14 2HB LYS 14 -10.937 -2.608 -11.320
105 HB3 LYS 14 3HB LYS 14 -10.552 -0.913 -11.049
106 HG2 LYS 14 2HG LYS 14 -8.300 -1.477 -10.412
107 HG3 LYS 14 3HG LYS 14 -8.667 -3.201 -10.517
108 HD2 LYS 14 2HD LYS 14 -7.647 -2.828 -12.550
109 HD3 LYS 14 3HD LYS 14 -9.347 -2.608 -12.971
110 HE2 LYS 14 2HE LYS 14 -9.144 -0.261 -12.987
111 HE3 LYS 14 3HE LYS 14 -7.592 -0.310 -12.153
112 HZ1 LYS 14 3HZ LYS 14 -7.504 -1.768 -14.595
113 HZ2 LYS 14 1HZ LYS 14 -6.528 -0.488 -14.075
114 HZ3 LYS 14 2HZ LYS 14 -7.991 -0.170 -14.863
115 H LYS 15 H LYS 15 -11.891 -0.681 -7.424
116 HA LYS 15 HA LYS 15 -14.629 -1.255 -8.133
117 HB2 LYS 15 2HB LYS 15 -13.519 0.627 -6.041
118 HB3 LYS 15 3HB LYS 15 -15.197 0.118 -6.183
119 HG2 LYS 15 2HG LYS 15 -12.868 -1.702 -5.608
120 HG3 LYS 15 3HG LYS 15 -14.008 -1.080 -4.412
121 HD2 LYS 15 2HD LYS 15 -15.555 -2.605 -4.949
122 HD3 LYS 15 3HD LYS 15 -15.326 -2.346 -6.680
123 HE2 LYS 15 2HE LYS 15 -13.780 -4.011 -6.863
124 HE3 LYS 15 3HE LYS 15 -13.191 -3.794 -5.216
125 HZ1 LYS 15 3HZ LYS 15 -14.618 -5.868 -5.880
126 HZ2 LYS 15 1HZ LYS 15 -15.910 -4.815 -5.592
127 HZ3 LYS 15 2HZ LYS 15 -14.796 -5.143 -4.362
128 H ARG 16 H ARG 16 -13.332 1.931 -7.295
129 HA ARG 16 HA ARG 16 -15.029 3.163 -9.282
130 HB2 ARG 16 2HB ARG 16 -13.177 4.218 -7.160
131 HB3 ARG 16 3HB ARG 16 -13.883 5.283 -8.368
132 HG2 ARG 16 2HG ARG 16 -15.432 3.548 -6.455
133 HG3 ARG 16 3HG ARG 16 -15.151 5.281 -6.276
134 HD2 ARG 16 2HD ARG 16 -16.755 3.863 -8.388
135 HD3 ARG 16 3HD ARG 16 -17.316 5.042 -7.204
136 HE ARG 16 HE ARG 16 -16.180 5.595 -9.750
137 HH11 ARG 16 1HH1 ARG 16 -16.383 6.777 -6.481
138 HH12 ARG 16 2HH1 ARG 16 -16.120 8.431 -6.925
139 HH21 ARG 16 1HH2 ARG 16 -15.833 7.770 -10.346
140 HH22 ARG 16 2HH2 ARG 16 -15.808 8.995 -9.123
141 H ILE 17 H ILE 17 -11.749 2.163 -9.017
142 HA ILE 17 HA ILE 17 -10.644 3.935 -10.959
143 HB ILE 17 HB ILE 17 -8.820 2.111 -11.059
144 HG12 ILE 17 2HG1 ILE 17 -10.699 0.603 -9.773
145 HG13 ILE 17 3HG1 ILE 17 -8.970 0.273 -9.752
146 HG21 ILE 17 1HG2 ILE 17 -8.436 4.143 -9.888
147 HG22 ILE 17 2HG2 ILE 17 -9.489 3.651 -8.563
148 HG23 ILE 17 3HG2 ILE 17 -7.949 2.830 -8.816
149 HD11 ILE 17 3HD1 ILE 17 -10.331 1.980 -7.692
150 HD12 ILE 17 1HD1 ILE 17 -10.133 0.236 -7.527
151 HD13 ILE 17 2HD1 ILE 17 -8.715 1.278 -7.632
152 H SER 18 H SER 18 -12.092 0.732 -11.065
153 HA SER 18 HA SER 18 -11.351 -0.007 -13.655
154 HB2 SER 18 2HB SER 18 -12.305 -1.753 -12.468
155 HB3 SER 18 3HB SER 18 -13.606 -0.748 -11.831
156 HG SER 18 HG SER 18 -13.713 -2.356 -13.896
157 H VAL 19 H VAL 19 -14.436 1.441 -12.595
158 HA VAL 19 HA VAL 19 -15.463 1.874 -15.169
159 HB VAL 19 HB VAL 19 -16.915 1.945 -13.235
160 HG11 VAL 19 1HG1 VAL 19 -15.254 2.941 -11.682
161 HG12 VAL 19 2HG1 VAL 19 -15.534 4.506 -12.447
162 HG13 VAL 19 3HG1 VAL 19 -16.845 3.695 -11.589
163 HG21 VAL 19 3HG2 VAL 19 -17.157 4.761 -14.054
164 HG22 VAL 19 1HG2 VAL 19 -17.090 3.591 -15.372
165 HG23 VAL 19 2HG2 VAL 19 -18.334 3.450 -14.130
166 H LYS 20 H LYS 20 -13.491 3.915 -13.069
167 HA LYS 20 HA LYS 20 -13.621 6.274 -14.587
168 HB2 LYS 20 2HB LYS 20 -11.700 5.180 -12.569
169 HB3 LYS 20 3HB LYS 20 -11.271 6.631 -13.466
170 HG2 LYS 20 2HG LYS 20 -13.089 7.839 -12.580
171 HG3 LYS 20 3HG LYS 20 -13.856 6.375 -11.959
172 HD2 LYS 20 2HD LYS 20 -12.919 7.236 -10.040
173 HD3 LYS 20 3HD LYS 20 -11.636 6.155 -10.588
174 HE2 LYS 20 2HE LYS 20 -11.674 9.022 -11.445
175 HE3 LYS 20 3HE LYS 20 -11.047 8.576 -9.859
176 HZ1 LYS 20 3HZ LYS 20 -9.796 8.362 -12.384
177 HZ2 LYS 20 1HZ LYS 20 -9.901 6.830 -11.673
178 HZ3 LYS 20 2HZ LYS 20 -9.141 8.095 -10.847
179 H LYS 21 H LYS 21 -11.445 3.497 -14.751
180 HA LYS 21 HA LYS 21 -9.717 4.603 -16.718
181 HB2 LYS 21 2HB LYS 21 -9.059 2.741 -15.236
182 HB3 LYS 21 3HB LYS 21 -10.233 1.702 -16.034
183 HG2 LYS 21 2HG LYS 21 -8.190 3.039 -17.721
184 HG3 LYS 21 3HG LYS 21 -7.678 1.696 -16.696
185 HD2 LYS 21 2HD LYS 21 -9.696 0.446 -17.703
186 HD3 LYS 21 3HD LYS 21 -9.671 1.706 -18.939
187 HE2 LYS 21 2HE LYS 21 -8.401 -0.169 -19.731
188 HE3 LYS 21 3HE LYS 21 -7.290 1.152 -19.375
189 HZ1 LYS 21 3HZ LYS 21 -6.316 0.000 -17.734
190 HZ2 LYS 21 1HZ LYS 21 -6.964 -1.355 -18.512
191 HZ3 LYS 21 2HZ LYS 21 -7.764 -0.680 -17.184
192 H LYS 22 H LYS 22 -12.581 2.542 -16.855
193 HA LYS 22 HA LYS 22 -12.488 1.944 -19.599
194 HB2 LYS 22 2HB LYS 22 -13.928 0.703 -18.100
195 HB3 LYS 22 3HB LYS 22 -14.842 2.155 -17.714
196 HG2 LYS 22 2HG LYS 22 -15.648 2.270 -20.011
197 HG3 LYS 22 3HG LYS 22 -14.717 0.826 -20.414
198 HD2 LYS 22 2HD LYS 22 -16.714 0.780 -18.182
199 HD3 LYS 22 3HD LYS 22 -17.236 0.588 -19.857
200 HE2 LYS 22 2HE LYS 22 -15.042 -1.083 -18.666
201 HE3 LYS 22 3HE LYS 22 -16.740 -1.534 -18.524
202 HZ1 LYS 22 3HZ LYS 22 -16.703 -1.185 -21.086
203 HZ2 LYS 22 1HZ LYS 22 -16.132 -2.632 -20.420
204 HZ3 LYS 22 2HZ LYS 22 -15.039 -1.440 -20.915
205 H GLN 23 H GLN 23 -13.266 4.837 -17.937
206 HA GLN 23 HA GLN 23 -15.002 6.013 -19.839
207 HB2 GLN 23 2HB GLN 23 -13.146 7.325 -17.844
208 HB3 GLN 23 3HB GLN 23 -14.429 8.144 -18.725
209 HG2 GLN 23 2HG GLN 23 -15.769 6.066 -17.571
210 HG3 GLN 23 3HG GLN 23 -14.559 6.457 -16.349
211 HE21 GLN 23 1HE2 GLN 23 -16.023 7.287 -14.900
212 HE22 GLN 23 2HE2 GLN 23 -16.854 8.780 -15.154
213 H GLU 24 H GLU 24 -14.419 6.207 -21.909
214 HA GLU 24 HA GLU 24 -11.748 6.517 -22.798
215 HB2 GLU 24 2HB GLU 24 -13.934 5.675 -24.028
216 HB3 GLU 24 3HB GLU 24 -14.043 7.362 -24.509
217 HG2 GLU 24 2HG GLU 24 -12.923 6.130 -26.226
218 HG3 GLU 24 3HG GLU 24 -11.765 7.205 -25.446
219 H GLN 25 H GLN 25 -10.806 8.326 -23.887
220 HA GLN 25 HA GLN 25 -11.156 10.773 -22.505
221 HB2 GLN 25 2HB GLN 25 -9.471 9.825 -24.770
222 HB3 GLN 25 3HB GLN 25 -9.656 11.561 -24.558
223 HG2 GLN 25 2HG GLN 25 -7.651 10.664 -23.457
224 HG3 GLN 25 3HG GLN 25 -8.765 11.437 -22.331
225 HE21 GLN 25 1HE2 GLN 25 -7.466 8.403 -23.453
226 HE22 GLN 25 2HE2 GLN 25 -7.954 7.462 -22.088
227 HA PRO 26 HA PRO 26 -14.131 12.959 -24.872
228 HB2 PRO 26 2HB PRO 26 -13.097 15.468 -24.945
229 HB3 PRO 26 3HB PRO 26 -13.782 14.754 -23.480
230 HG2 PRO 26 2HG PRO 26 -10.915 15.002 -24.304
231 HG3 PRO 26 3HG PRO 26 -11.651 15.282 -22.715
232 HD2 PRO 26 2HD PRO 26 -10.334 12.997 -23.328
233 HD3 PRO 26 3HD PRO 26 -11.710 13.034 -22.207
Start of MODEL 8
1 H1 VAL 1 H VAL 1 2.184 0.671 0.212
2 HA VAL 1 HA VAL 1 2.216 0.798 -2.603
3 HB VAL 1 HB VAL 1 4.507 -0.098 -2.448
4 HG11 VAL 1 1HG1 VAL 1 4.031 2.296 -2.053
5 HG12 VAL 1 2HG1 VAL 1 3.941 1.965 -0.321
6 HG13 VAL 1 3HG1 VAL 1 5.459 1.728 -1.188
7 HG21 VAL 1 3HG2 VAL 1 4.293 -1.731 -0.724
8 HG22 VAL 1 1HG2 VAL 1 5.432 -0.512 -0.153
9 HG23 VAL 1 2HG2 VAL 1 3.773 -0.517 0.445
10 H SER 2 H SER 2 1.700 -1.824 -0.373
11 HA SER 2 HA SER 2 2.104 -3.896 -2.334
12 HB2 SER 2 2HB SER 2 2.553 -4.341 0.034
13 HB3 SER 2 3HB SER 2 0.866 -4.011 0.428
14 HG SER 2 HG SER 2 2.009 -6.274 -0.574
15 H VAL 3 H VAL 3 -0.466 -1.844 -1.386
16 HA VAL 3 HA VAL 3 -2.586 -3.577 -2.304
17 HB VAL 3 HB VAL 3 -4.079 -1.712 -1.868
18 HG11 VAL 3 1HG1 VAL 3 -2.661 -1.264 0.550
19 HG12 VAL 3 2HG1 VAL 3 -4.026 -2.344 0.259
20 HG13 VAL 3 3HG1 VAL 3 -2.375 -2.930 0.049
21 HG21 VAL 3 3HG2 VAL 3 -2.639 0.087 -2.703
22 HG22 VAL 3 1HG2 VAL 3 -3.249 0.443 -1.087
23 HG23 VAL 3 2HG2 VAL 3 -1.587 -0.106 -1.301
24 H ASP 4 H ASP 4 -0.479 -1.222 -3.664
25 HA ASP 4 HA ASP 4 -2.018 -0.282 -5.804
26 HB2 ASP 4 2HB ASP 4 0.680 -0.087 -4.944
27 HB3 ASP 4 3HB ASP 4 0.706 -0.584 -6.634
28 HA PRO 5 HA PRO 5 -0.177 -3.949 -8.380
29 HB2 PRO 5 2HB PRO 5 0.913 -5.998 -6.971
30 HB3 PRO 5 3HB PRO 5 1.852 -4.608 -7.528
31 HG2 PRO 5 2HG PRO 5 0.690 -5.147 -4.823
32 HG3 PRO 5 3HG PRO 5 2.287 -4.503 -5.246
33 HD2 PRO 5 2HD PRO 5 0.245 -2.920 -4.435
34 HD3 PRO 5 3HD PRO 5 1.475 -2.374 -5.594
35 H PHE 6 H PHE 6 -1.631 -4.604 -5.245
36 HA PHE 6 HA PHE 6 -2.865 -7.046 -5.826
37 HB2 PHE 6 2HB PHE 6 -2.655 -5.766 -3.576
38 HB3 PHE 6 3HB PHE 6 -4.155 -4.984 -4.062
39 HD1 PHE 6 HD2 PHE 6 -2.595 -8.163 -3.105
40 HD2 PHE 6 HD1 PHE 6 -6.233 -6.167 -4.053
41 HE1 PHE 6 HE2 PHE 6 -3.869 -10.076 -2.228
42 HE2 PHE 6 HE1 PHE 6 -7.513 -8.076 -3.177
43 HZ PHE 6 HZ PHE 6 -6.331 -10.035 -2.264
44 H TYR 7 H TYR 7 -4.345 -3.799 -5.852
45 HA TYR 7 HA TYR 7 -6.698 -4.704 -7.182
46 HB2 TYR 7 2HB TYR 7 -7.504 -2.610 -6.812
47 HB3 TYR 7 3HB TYR 7 -6.143 -2.524 -5.700
48 HD1 TYR 7 HD2 TYR 7 -4.069 -1.335 -6.381
49 HD2 TYR 7 HD1 TYR 7 -7.587 -1.257 -8.772
50 HE1 TYR 7 HE2 TYR 7 -3.190 0.611 -7.601
51 HE2 TYR 7 HE1 TYR 7 -6.717 0.689 -10.000
52 HH TYR 7 HH TYR 7 -4.797 2.659 -9.203
53 H GLU 8 H GLU 8 -3.583 -3.743 -8.233
54 HA GLU 8 HA GLU 8 -4.320 -2.864 -10.853
55 HB2 GLU 8 2HB GLU 8 -1.791 -3.426 -9.406
56 HB3 GLU 8 3HB GLU 8 -1.733 -3.525 -11.160
57 HG2 GLU 8 2HG GLU 8 -2.546 -1.250 -11.343
58 HG3 GLU 8 3HG GLU 8 -2.693 -1.143 -9.590
59 H MET 9 H MET 9 -3.158 -5.905 -9.469
60 HA MET 9 HA MET 9 -3.140 -7.243 -12.021
61 HB2 MET 9 2HB MET 9 -2.457 -9.198 -10.805
62 HB3 MET 9 3HB MET 9 -1.577 -7.819 -10.159
63 HG2 MET 9 2HG MET 9 -3.174 -7.707 -8.291
64 HG3 MET 9 3HG MET 9 -3.983 -9.138 -8.926
65 HE1 MET 9 3HE MET 9 -0.221 -8.126 -8.661
66 HE2 MET 9 1HE MET 9 -0.811 -7.750 -7.041
67 HE3 MET 9 2HE MET 9 0.324 -9.079 -7.279
68 H LEU 10 H LEU 10 -5.241 -7.114 -9.190
69 HA LEU 10 HA LEU 10 -7.052 -9.101 -10.226
70 HB2 LEU 10 2HB LEU 10 -6.887 -7.398 -7.800
71 HB3 LEU 10 3HB LEU 10 -8.476 -8.001 -8.268
72 HG LEU 10 HG LEU 10 -6.958 -10.275 -8.352
73 HD11 LEU 10 1HD1 LEU 10 -6.092 -8.903 -5.836
74 HD12 LEU 10 2HD1 LEU 10 -5.122 -8.801 -7.305
75 HD13 LEU 10 3HD1 LEU 10 -5.461 -10.373 -6.580
76 HD21 LEU 10 3HD2 LEU 10 -8.155 -9.555 -5.741
77 HD22 LEU 10 1HD2 LEU 10 -8.382 -10.991 -6.740
78 HD23 LEU 10 2HD2 LEU 10 -9.209 -9.490 -7.154
79 H ALA 11 H ALA 11 -8.843 -8.787 -11.405
80 HA ALA 11 HA ALA 11 -9.338 -6.169 -12.503
81 HB1 ALA 11 1HB ALA 11 -9.811 -7.527 -14.211
82 HB2 ALA 11 2HB ALA 11 -10.056 -8.917 -13.153
83 HB3 ALA 11 3HB ALA 11 -11.369 -7.771 -13.421
84 H ALA 12 H ALA 12 -11.260 -8.522 -10.639
85 HA ALA 12 HA ALA 12 -13.533 -6.920 -10.312
86 HB1 ALA 12 1HB ALA 12 -12.559 -9.430 -9.299
87 HB2 ALA 12 2HB ALA 12 -13.355 -8.510 -8.021
88 HB3 ALA 12 3HB ALA 12 -14.219 -8.875 -9.514
89 H ARG 13 H ARG 13 -10.437 -6.734 -8.849
90 HA ARG 13 HA ARG 13 -11.182 -5.460 -6.421
91 HB2 ARG 13 2HB ARG 13 -8.665 -5.939 -7.912
92 HB3 ARG 13 3HB ARG 13 -8.660 -4.590 -6.784
93 HG2 ARG 13 2HG ARG 13 -9.725 -7.179 -5.813
94 HG3 ARG 13 3HG ARG 13 -7.983 -7.048 -6.066
95 HD2 ARG 13 2HD ARG 13 -8.550 -6.480 -3.775
96 HD3 ARG 13 3HD ARG 13 -7.935 -5.063 -4.626
97 HE ARG 13 HE ARG 13 -10.703 -5.529 -3.795
98 HH11 ARG 13 1HH1 ARG 13 -8.302 -3.465 -5.241
99 HH12 ARG 13 2HH1 ARG 13 -9.281 -2.039 -5.145
100 HH21 ARG 13 1HH2 ARG 13 -12.002 -3.659 -3.662
101 HH22 ARG 13 2HH2 ARG 13 -11.385 -2.150 -4.246
102 H LYS 14 H LYS 14 -10.099 -4.244 -9.573
103 HA LYS 14 HA LYS 14 -10.029 -1.522 -8.923
104 HB2 LYS 14 2HB LYS 14 -10.652 -2.824 -11.580
105 HB3 LYS 14 3HB LYS 14 -10.228 -1.132 -11.357
106 HG2 LYS 14 2HG LYS 14 -8.024 -1.687 -10.672
107 HG3 LYS 14 3HG LYS 14 -8.426 -3.402 -10.555
108 HD2 LYS 14 2HD LYS 14 -8.927 -3.320 -13.034
109 HD3 LYS 14 3HD LYS 14 -8.189 -1.716 -13.039
110 HE2 LYS 14 2HE LYS 14 -6.338 -2.925 -13.539
111 HE3 LYS 14 3HE LYS 14 -6.255 -3.056 -11.783
112 HZ1 LYS 14 3HZ LYS 14 -6.085 -5.165 -13.282
113 HZ2 LYS 14 1HZ LYS 14 -7.774 -5.072 -13.277
114 HZ3 LYS 14 2HZ LYS 14 -6.931 -5.223 -11.818
115 H LYS 15 H LYS 15 -11.730 -0.663 -7.856
116 HA LYS 15 HA LYS 15 -14.450 -1.227 -8.637
117 HB2 LYS 15 2HB LYS 15 -13.286 0.674 -6.596
118 HB3 LYS 15 3HB LYS 15 -15.011 0.432 -6.845
119 HG2 LYS 15 2HG LYS 15 -13.048 -1.690 -5.998
120 HG3 LYS 15 3HG LYS 15 -14.176 -0.841 -4.938
121 HD2 LYS 15 2HD LYS 15 -14.925 -2.600 -7.274
122 HD3 LYS 15 3HD LYS 15 -15.031 -3.045 -5.569
123 HE2 LYS 15 2HE LYS 15 -16.556 -1.031 -5.296
124 HE3 LYS 15 3HE LYS 15 -16.619 -0.969 -7.057
125 HZ1 LYS 15 3HZ LYS 15 -17.672 -3.035 -5.241
126 HZ2 LYS 15 1HZ LYS 15 -17.288 -3.431 -6.840
127 HZ3 LYS 15 2HZ LYS 15 -18.447 -2.242 -6.519
128 H ARG 16 H ARG 16 -13.041 1.968 -8.015
129 HA ARG 16 HA ARG 16 -14.676 3.128 -10.087
130 HB2 ARG 16 2HB ARG 16 -14.370 4.370 -8.037
131 HB3 ARG 16 3HB ARG 16 -12.622 4.325 -8.223
132 HG2 ARG 16 2HG ARG 16 -12.616 6.118 -9.536
133 HG3 ARG 16 3HG ARG 16 -13.944 5.501 -10.521
134 HD2 ARG 16 2HD ARG 16 -15.447 6.762 -9.456
135 HD3 ARG 16 3HD ARG 16 -14.813 6.313 -7.873
136 HE ARG 16 HE ARG 16 -14.317 8.729 -9.272
137 HH11 ARG 16 1HH1 ARG 16 -12.804 6.392 -7.181
138 HH12 ARG 16 2HH1 ARG 16 -11.678 7.527 -6.513
139 HH21 ARG 16 1HH2 ARG 16 -12.840 10.231 -8.400
140 HH22 ARG 16 2HH2 ARG 16 -11.699 9.710 -7.206
141 H ILE 17 H ILE 17 -11.259 2.430 -9.575
142 HA ILE 17 HA ILE 17 -10.182 3.805 -11.746
143 HB ILE 17 HB ILE 17 -8.405 1.948 -11.693
144 HG12 ILE 17 2HG1 ILE 17 -10.340 0.581 -10.310
145 HG13 ILE 17 3HG1 ILE 17 -8.625 0.184 -10.306
146 HG21 ILE 17 1HG2 ILE 17 -8.003 4.048 -10.641
147 HG22 ILE 17 2HG2 ILE 17 -9.055 3.637 -9.288
148 HG23 ILE 17 3HG2 ILE 17 -7.524 2.788 -9.504
149 HD11 ILE 17 3HD1 ILE 17 -8.283 1.314 -8.254
150 HD12 ILE 17 1HD1 ILE 17 -9.890 2.039 -8.311
151 HD13 ILE 17 2HD1 ILE 17 -9.714 0.302 -8.058
152 H SER 18 H SER 18 -11.725 0.648 -11.577
153 HA SER 18 HA SER 18 -11.021 -0.321 -14.104
154 HB2 SER 18 2HB SER 18 -12.002 -1.932 -12.749
155 HB3 SER 18 3HB SER 18 -13.291 -0.852 -12.221
156 HG SER 18 HG SER 18 -13.939 -2.512 -13.743
157 H VAL 19 H VAL 19 -14.141 1.147 -13.180
158 HA VAL 19 HA VAL 19 -15.106 1.450 -15.789
159 HB VAL 19 HB VAL 19 -16.606 1.591 -13.899
160 HG11 VAL 19 1HG1 VAL 19 -15.280 4.205 -13.197
161 HG12 VAL 19 2HG1 VAL 19 -16.600 3.414 -12.333
162 HG13 VAL 19 3HG1 VAL 19 -14.995 2.682 -12.355
163 HG21 VAL 19 3HG2 VAL 19 -16.663 3.247 -16.102
164 HG22 VAL 19 1HG2 VAL 19 -18.005 2.940 -14.999
165 HG23 VAL 19 2HG2 VAL 19 -16.970 4.348 -14.759
166 H LYS 20 H LYS 20 -13.216 3.625 -13.749
167 HA LYS 20 HA LYS 20 -13.334 5.861 -15.491
168 HB2 LYS 20 2HB LYS 20 -12.772 6.172 -13.163
169 HB3 LYS 20 3HB LYS 20 -11.371 5.121 -13.316
170 HG2 LYS 20 2HG LYS 20 -10.188 6.702 -14.588
171 HG3 LYS 20 3HG LYS 20 -11.639 7.661 -14.891
172 HD2 LYS 20 2HD LYS 20 -11.749 8.271 -12.538
173 HD3 LYS 20 3HD LYS 20 -10.342 7.263 -12.194
174 HE2 LYS 20 2HE LYS 20 -8.987 8.671 -13.680
175 HE3 LYS 20 3HE LYS 20 -10.395 9.683 -13.995
176 HZ1 LYS 20 3HZ LYS 20 -9.830 10.868 -12.228
177 HZ2 LYS 20 1HZ LYS 20 -8.576 9.801 -11.837
178 HZ3 LYS 20 2HZ LYS 20 -10.136 9.527 -11.243
179 H LYS 21 H LYS 21 -11.539 2.944 -15.542
180 HA LYS 21 HA LYS 21 -9.365 3.942 -17.147
181 HB2 LYS 21 2HB LYS 21 -9.023 2.041 -15.645
182 HB3 LYS 21 3HB LYS 21 -10.229 1.111 -16.524
183 HG2 LYS 21 2HG LYS 21 -7.939 2.186 -18.067
184 HG3 LYS 21 3HG LYS 21 -7.632 0.844 -16.963
185 HD2 LYS 21 2HD LYS 21 -9.652 -0.278 -18.081
186 HD3 LYS 21 3HD LYS 21 -9.463 0.943 -19.342
187 HE2 LYS 21 2HE LYS 21 -7.317 -0.974 -18.437
188 HE3 LYS 21 3HE LYS 21 -8.312 -1.173 -19.878
189 HZ1 LYS 21 3HZ LYS 21 -7.383 0.814 -20.804
190 HZ2 LYS 21 1HZ LYS 21 -6.112 -0.199 -20.334
191 HZ3 LYS 21 2HZ LYS 21 -6.519 1.141 -19.387
192 H LYS 22 H LYS 22 -12.248 1.947 -17.711
193 HA LYS 22 HA LYS 22 -11.788 1.667 -20.509
194 HB2 LYS 22 2HB LYS 22 -14.203 1.207 -18.764
195 HB3 LYS 22 3HB LYS 22 -14.234 0.943 -20.502
196 HG2 LYS 22 2HG LYS 22 -12.473 -0.722 -20.297
197 HG3 LYS 22 3HG LYS 22 -12.398 -0.441 -18.556
198 HD2 LYS 22 2HD LYS 22 -15.019 -1.160 -19.779
199 HD3 LYS 22 3HD LYS 22 -13.810 -2.427 -19.562
200 HE2 LYS 22 2HE LYS 22 -13.632 -1.631 -17.155
201 HE3 LYS 22 3HE LYS 22 -15.092 -0.693 -17.465
202 HZ1 LYS 22 3HZ LYS 22 -15.746 -2.746 -16.512
203 HZ2 LYS 22 1HZ LYS 22 -14.791 -3.640 -17.585
204 HZ3 LYS 22 2HZ LYS 22 -16.158 -2.822 -18.151
205 H GLN 23 H GLN 23 -13.112 4.146 -18.550
206 HA GLN 23 HA GLN 23 -14.907 5.342 -20.349
207 HB2 GLN 23 2HB GLN 23 -13.338 6.326 -17.996
208 HB3 GLN 23 3HB GLN 23 -14.216 7.475 -18.997
209 HG2 GLN 23 2HG GLN 23 -15.674 5.083 -18.023
210 HG3 GLN 23 3HG GLN 23 -15.295 6.356 -16.864
211 HE21 GLN 23 1HE2 GLN 23 -17.542 6.731 -16.648
212 HE22 GLN 23 2HE2 GLN 23 -18.409 7.635 -17.838
213 H GLU 24 H GLU 24 -14.574 6.333 -22.220
214 HA GLU 24 HA GLU 24 -12.035 6.651 -23.369
215 HB2 GLU 24 2HB GLU 24 -13.216 7.958 -25.118
216 HB3 GLU 24 3HB GLU 24 -13.993 6.422 -24.761
217 HG2 GLU 24 2HG GLU 24 -15.505 7.758 -23.194
218 HG3 GLU 24 3HG GLU 24 -14.881 9.185 -24.021
219 H GLN 25 H GLN 25 -14.162 8.948 -21.732
220 HA GLN 25 HA GLN 25 -12.558 11.236 -22.243
221 HB2 GLN 25 2HB GLN 25 -14.879 10.590 -20.503
222 HB3 GLN 25 3HB GLN 25 -13.914 11.993 -20.061
223 HG2 GLN 25 2HG GLN 25 -14.238 12.865 -22.365
224 HG3 GLN 25 3HG GLN 25 -15.334 11.518 -22.670
225 HE21 GLN 25 1HE2 GLN 25 -15.431 14.625 -22.213
226 HE22 GLN 25 2HE2 GLN 25 -16.856 14.804 -21.252
227 HA PRO 26 HA PRO 26 -9.405 11.018 -19.203
228 HB2 PRO 26 2HB PRO 26 -9.246 13.585 -18.334
229 HB3 PRO 26 3HB PRO 26 -8.689 13.075 -19.932
230 HG2 PRO 26 2HG PRO 26 -11.262 14.393 -19.155
231 HG3 PRO 26 3HG PRO 26 -10.208 14.728 -20.540
232 HD2 PRO 26 2HD PRO 26 -12.469 13.255 -20.754
233 HD3 PRO 26 3HD PRO 26 -11.038 12.958 -21.761
Start of MODEL 9
1 H1 VAL 1 H VAL 1 1.950 0.376 1.182
2 HA VAL 1 HA VAL 1 1.960 0.873 -1.585
3 HB VAL 1 HB VAL 1 4.316 0.280 -1.549
4 HG11 VAL 1 1HG1 VAL 1 3.816 2.456 -0.715
5 HG12 VAL 1 2HG1 VAL 1 3.376 1.812 0.868
6 HG13 VAL 1 3HG1 VAL 1 5.055 1.762 0.329
7 HG21 VAL 1 3HG2 VAL 1 5.011 -0.367 1.003
8 HG22 VAL 1 1HG2 VAL 1 3.496 -1.250 0.813
9 HG23 VAL 1 2HG2 VAL 1 4.825 -1.526 -0.313
10 H SER 2 H SER 2 1.600 -2.049 0.239
11 HA SER 2 HA SER 2 2.256 -3.810 -1.945
12 HB2 SER 2 2HB SER 2 1.511 -5.603 -0.439
13 HB3 SER 2 3HB SER 2 2.620 -4.508 0.387
14 HG SER 2 HG SER 2 0.860 -3.547 1.401
15 H VAL 3 H VAL 3 -0.509 -2.092 -0.887
16 HA VAL 3 HA VAL 3 -2.440 -3.838 -2.138
17 HB VAL 3 HB VAL 3 -4.097 -2.175 -1.540
18 HG11 VAL 3 1HG1 VAL 3 -4.096 -2.721 0.642
19 HG12 VAL 3 2HG1 VAL 3 -2.669 -3.667 0.216
20 HG13 VAL 3 3HG1 VAL 3 -2.485 -2.057 0.913
21 HG21 VAL 3 3HG2 VAL 3 -3.249 -0.133 -0.230
22 HG22 VAL 3 1HG2 VAL 3 -1.697 -0.459 -1.001
23 HG23 VAL 3 2HG2 VAL 3 -3.115 -0.103 -1.988
24 H ASP 4 H ASP 4 -0.470 -1.170 -3.059
25 HA ASP 4 HA ASP 4 -1.977 -0.068 -5.141
26 HB2 ASP 4 2HB ASP 4 0.657 0.202 -4.117
27 HB3 ASP 4 3HB ASP 4 0.795 -0.056 -5.854
28 HA PRO 5 HA PRO 5 0.262 -3.218 -8.064
29 HB2 PRO 5 2HB PRO 5 1.436 -5.356 -6.873
30 HB3 PRO 5 3HB PRO 5 2.292 -3.843 -7.189
31 HG2 PRO 5 2HG PRO 5 1.045 -4.819 -4.649
32 HG3 PRO 5 3HG PRO 5 2.607 -4.015 -4.891
33 HD2 PRO 5 2HD PRO 5 0.414 -2.699 -4.001
34 HD3 PRO 5 3HD PRO 5 1.653 -1.920 -5.006
35 H PHE 6 H PHE 6 -1.214 -4.466 -5.111
36 HA PHE 6 HA PHE 6 -2.267 -6.847 -6.138
37 HB2 PHE 6 2HB PHE 6 -2.165 -6.003 -3.696
38 HB3 PHE 6 3HB PHE 6 -3.691 -5.204 -4.059
39 HD1 PHE 6 HD2 PHE 6 -5.690 -6.528 -4.581
40 HD2 PHE 6 HD1 PHE 6 -2.035 -8.363 -3.401
41 HE1 PHE 6 HE2 PHE 6 -6.899 -8.616 -4.096
42 HE2 PHE 6 HE1 PHE 6 -3.238 -10.454 -2.916
43 HZ PHE 6 HZ PHE 6 -5.673 -10.582 -3.262
44 H TYR 7 H TYR 7 -3.861 -3.682 -5.745
45 HA TYR 7 HA TYR 7 -6.181 -4.507 -7.209
46 HB2 TYR 7 2HB TYR 7 -7.106 -2.575 -6.477
47 HB3 TYR 7 3HB TYR 7 -5.711 -2.532 -5.404
48 HD1 TYR 7 HD2 TYR 7 -3.818 -1.042 -5.886
49 HD2 TYR 7 HD1 TYR 7 -7.311 -1.037 -8.316
50 HE1 TYR 7 HE2 TYR 7 -3.137 1.115 -6.852
51 HE2 TYR 7 HE1 TYR 7 -6.639 1.119 -9.289
52 HH TYR 7 HH TYR 7 -4.019 2.978 -8.003
53 H GLU 8 H GLU 8 -3.099 -3.371 -8.069
54 HA GLU 8 HA GLU 8 -3.875 -2.107 -10.539
55 HB2 GLU 8 2HB GLU 8 -1.333 -2.656 -9.113
56 HB3 GLU 8 3HB GLU 8 -1.237 -2.510 -10.862
57 HG2 GLU 8 2HG GLU 8 -2.575 -0.438 -9.158
58 HG3 GLU 8 3HG GLU 8 -0.846 -0.411 -9.497
59 H MET 9 H MET 9 -2.532 -5.219 -9.547
60 HA MET 9 HA MET 9 -2.322 -6.181 -12.255
61 HB2 MET 9 2HB MET 9 -1.678 -8.313 -11.212
62 HB3 MET 9 3HB MET 9 -0.746 -6.966 -10.571
63 HG2 MET 9 2HG MET 9 -2.645 -6.977 -8.743
64 HG3 MET 9 3HG MET 9 -2.796 -8.656 -9.253
65 HE1 MET 9 3HE MET 9 -0.204 -10.438 -7.396
66 HE2 MET 9 1HE MET 9 -1.861 -10.325 -7.990
67 HE3 MET 9 2HE MET 9 -0.520 -10.415 -9.132
68 H LEU 10 H LEU 10 -4.504 -6.655 -9.514
69 HA LEU 10 HA LEU 10 -6.133 -8.574 -10.895
70 HB2 LEU 10 2HB LEU 10 -6.102 -7.273 -8.254
71 HB3 LEU 10 3HB LEU 10 -7.695 -7.722 -8.858
72 HG LEU 10 HG LEU 10 -6.866 -9.471 -7.438
73 HD11 LEU 10 1HD1 LEU 10 -8.080 -10.001 -9.610
74 HD12 LEU 10 2HD1 LEU 10 -7.187 -11.317 -8.849
75 HD13 LEU 10 3HD1 LEU 10 -6.505 -10.479 -10.243
76 HD21 LEU 10 3HD2 LEU 10 -4.801 -10.619 -7.799
77 HD22 LEU 10 1HD2 LEU 10 -4.454 -8.891 -7.727
78 HD23 LEU 10 2HD2 LEU 10 -4.497 -9.718 -9.285
79 H ALA 11 H ALA 11 -7.833 -8.217 -12.176
80 HA ALA 11 HA ALA 11 -8.513 -5.509 -12.892
81 HB1 ALA 11 1HB ALA 11 -10.263 -6.923 -14.314
82 HB2 ALA 11 2HB ALA 11 -8.571 -6.758 -14.788
83 HB3 ALA 11 3HB ALA 11 -9.114 -8.211 -13.949
84 H ALA 12 H ALA 12 -10.071 -8.206 -11.228
85 HA ALA 12 HA ALA 12 -12.618 -6.986 -10.970
86 HB1 ALA 12 1HB ALA 12 -11.574 -9.481 -10.453
87 HB2 ALA 12 2HB ALA 12 -11.952 -8.859 -8.846
88 HB3 ALA 12 3HB ALA 12 -13.211 -8.943 -10.078
89 H ARG 13 H ARG 13 -9.638 -6.548 -9.329
90 HA ARG 13 HA ARG 13 -10.685 -5.598 -6.851
91 HB2 ARG 13 2HB ARG 13 -8.070 -5.938 -8.083
92 HB3 ARG 13 3HB ARG 13 -8.176 -4.442 -7.163
93 HG2 ARG 13 2HG ARG 13 -8.777 -7.204 -6.123
94 HG3 ARG 13 3HG ARG 13 -7.323 -6.259 -5.796
95 HD2 ARG 13 2HD ARG 13 -8.956 -4.472 -4.907
96 HD3 ARG 13 3HD ARG 13 -10.132 -5.784 -4.865
97 HE ARG 13 HE ARG 13 -9.016 -6.700 -3.073
98 HH11 ARG 13 1HH1 ARG 13 -7.102 -4.158 -4.486
99 HH12 ARG 13 2HH1 ARG 13 -5.956 -4.121 -3.187
100 HH21 ARG 13 1HH2 ARG 13 -7.514 -6.661 -1.357
101 HH22 ARG 13 2HH2 ARG 13 -6.191 -5.545 -1.408
102 H LYS 14 H LYS 14 -10.315 -4.235 -9.972
103 HA LYS 14 HA LYS 14 -10.101 -1.499 -9.225
104 HB2 LYS 14 2HB LYS 14 -11.109 -2.756 -11.784
105 HB3 LYS 14 3HB LYS 14 -10.750 -1.048 -11.575
106 HG2 LYS 14 2HG LYS 14 -8.425 -1.509 -11.248
107 HG3 LYS 14 3HG LYS 14 -8.727 -3.248 -11.222
108 HD2 LYS 14 2HD LYS 14 -9.348 -3.243 -13.532
109 HD3 LYS 14 3HD LYS 14 -9.324 -1.479 -13.589
110 HE2 LYS 14 2HE LYS 14 -7.270 -1.854 -14.470
111 HE3 LYS 14 3HE LYS 14 -6.819 -1.907 -12.767
112 HZ1 LYS 14 3HZ LYS 14 -5.938 -3.776 -14.108
113 HZ2 LYS 14 1HZ LYS 14 -7.524 -4.305 -14.368
114 HZ3 LYS 14 2HZ LYS 14 -6.888 -4.276 -12.801
115 H LYS 15 H LYS 15 -11.634 -0.824 -7.805
116 HA LYS 15 HA LYS 15 -14.424 -1.458 -8.182
117 HB2 LYS 15 2HB LYS 15 -12.991 0.323 -6.207
118 HB3 LYS 15 3HB LYS 15 -14.731 0.069 -6.204
119 HG2 LYS 15 2HG LYS 15 -12.636 -2.061 -5.823
120 HG3 LYS 15 3HG LYS 15 -13.626 -1.335 -4.555
121 HD2 LYS 15 2HD LYS 15 -14.635 -2.948 -6.898
122 HD3 LYS 15 3HD LYS 15 -14.524 -3.500 -5.225
123 HE2 LYS 15 2HE LYS 15 -16.072 -1.642 -4.595
124 HE3 LYS 15 3HE LYS 15 -16.276 -1.301 -6.312
125 HZ1 LYS 15 3HZ LYS 15 -17.696 -3.115 -4.797
126 HZ2 LYS 15 1HZ LYS 15 -16.692 -4.054 -5.783
127 HZ3 LYS 15 2HZ LYS 15 -17.748 -2.930 -6.478
128 H ARG 16 H ARG 16 -13.140 1.759 -7.472
129 HA ARG 16 HA ARG 16 -15.076 2.949 -9.250
130 HB2 ARG 16 2HB ARG 16 -14.579 3.976 -7.076
131 HB3 ARG 16 3HB ARG 16 -12.909 4.220 -7.569
132 HG2 ARG 16 2HG ARG 16 -14.217 6.273 -7.734
133 HG3 ARG 16 3HG ARG 16 -13.622 5.751 -9.311
134 HD2 ARG 16 2HD ARG 16 -15.793 4.809 -9.847
135 HD3 ARG 16 3HD ARG 16 -16.394 5.230 -8.244
136 HE ARG 16 HE ARG 16 -16.157 6.966 -10.505
137 HH11 ARG 16 1HH1 ARG 16 -16.129 6.837 -7.026
138 HH12 ARG 16 2HH1 ARG 16 -16.629 8.484 -6.831
139 HH21 ARG 16 1HH2 ARG 16 -16.815 9.136 -10.261
140 HH22 ARG 16 2HH2 ARG 16 -17.020 9.791 -8.672
141 H ILE 17 H ILE 17 -11.771 2.021 -9.382
142 HA ILE 17 HA ILE 17 -10.944 3.827 -11.432
143 HB ILE 17 HB ILE 17 -9.094 2.060 -11.750
144 HG12 ILE 17 2HG1 ILE 17 -10.769 0.486 -10.278
145 HG13 ILE 17 3HG1 ILE 17 -9.039 0.210 -10.451
146 HG21 ILE 17 1HG2 ILE 17 -7.995 2.786 -9.610
147 HG22 ILE 17 2HG2 ILE 17 -8.634 4.091 -10.608
148 HG23 ILE 17 3HG2 ILE 17 -9.518 3.562 -9.177
149 HD11 ILE 17 3HD1 ILE 17 -9.958 0.123 -8.112
150 HD12 ILE 17 1HD1 ILE 17 -8.578 1.192 -8.362
151 HD13 ILE 17 2HD1 ILE 17 -10.204 1.865 -8.237
152 H SER 18 H SER 18 -12.315 0.589 -11.375
153 HA SER 18 HA SER 18 -11.862 -0.132 -14.037
154 HB2 SER 18 2HB SER 18 -12.620 -1.898 -12.736
155 HB3 SER 18 3HB SER 18 -13.879 -0.929 -11.970
156 HG SER 18 HG SER 18 -14.359 -2.583 -13.780
157 H VAL 19 H VAL 19 -14.835 1.238 -12.614
158 HA VAL 19 HA VAL 19 -16.172 1.640 -15.047
159 HB VAL 19 HB VAL 19 -17.385 1.674 -12.953
160 HG11 VAL 19 1HG1 VAL 19 -15.577 2.719 -11.609
161 HG12 VAL 19 2HG1 VAL 19 -15.991 4.275 -12.331
162 HG13 VAL 19 3HG1 VAL 19 -17.166 3.428 -11.324
163 HG21 VAL 19 3HG2 VAL 19 -18.039 3.124 -15.013
164 HG22 VAL 19 1HG2 VAL 19 -18.906 3.330 -13.490
165 HG23 VAL 19 2HG2 VAL 19 -17.651 4.480 -13.954
166 H LYS 20 H LYS 20 -14.018 3.734 -13.191
167 HA LYS 20 HA LYS 20 -14.391 6.079 -14.704
168 HB2 LYS 20 2HB LYS 20 -13.333 6.125 -12.513
169 HB3 LYS 20 3HB LYS 20 -11.996 5.149 -13.109
170 HG2 LYS 20 2HG LYS 20 -11.148 6.904 -14.408
171 HG3 LYS 20 3HG LYS 20 -12.647 7.828 -14.290
172 HD2 LYS 20 2HD LYS 20 -12.234 8.049 -11.839
173 HD3 LYS 20 3HD LYS 20 -10.663 7.281 -12.084
174 HE2 LYS 20 2HE LYS 20 -10.167 9.105 -13.754
175 HE3 LYS 20 3HE LYS 20 -11.630 9.910 -13.189
176 HZ1 LYS 20 3HZ LYS 20 -9.229 10.338 -12.143
177 HZ2 LYS 20 1HZ LYS 20 -9.754 9.090 -11.129
178 HZ3 LYS 20 2HZ LYS 20 -10.663 10.510 -11.263
179 H LYS 21 H LYS 21 -12.141 3.377 -15.045
180 HA LYS 21 HA LYS 21 -10.656 4.514 -17.186
181 HB2 LYS 21 2HB LYS 21 -9.810 2.691 -15.730
182 HB3 LYS 21 3HB LYS 21 -10.987 1.600 -16.449
183 HG2 LYS 21 2HG LYS 21 -9.122 3.036 -18.259
184 HG3 LYS 21 3HG LYS 21 -8.493 1.702 -17.290
185 HD2 LYS 21 2HD LYS 21 -10.651 0.483 -18.198
186 HD3 LYS 21 3HD LYS 21 -10.505 1.680 -19.487
187 HE2 LYS 21 2HE LYS 21 -9.304 -0.199 -20.239
188 HE3 LYS 21 3HE LYS 21 -8.083 0.947 -19.689
189 HZ1 LYS 21 3HZ LYS 21 -7.690 -0.289 -17.766
190 HZ2 LYS 21 1HZ LYS 21 -7.826 -1.460 -18.979
191 HZ3 LYS 21 2HZ LYS 21 -9.116 -1.185 -17.921
192 H LYS 22 H LYS 22 -13.418 2.314 -17.019
193 HA LYS 22 HA LYS 22 -13.577 1.669 -19.740
194 HB2 LYS 22 2HB LYS 22 -14.827 0.547 -17.880
195 HB3 LYS 22 3HB LYS 22 -15.894 1.944 -17.819
196 HG2 LYS 22 2HG LYS 22 -15.548 0.623 -20.445
197 HG3 LYS 22 3HG LYS 22 -16.468 -0.243 -19.212
198 HD2 LYS 22 2HD LYS 22 -17.109 2.623 -19.618
199 HD3 LYS 22 3HD LYS 22 -17.593 1.500 -20.891
200 HE2 LYS 22 2HE LYS 22 -18.893 0.213 -19.361
201 HE3 LYS 22 3HE LYS 22 -18.245 1.093 -17.979
202 HZ1 LYS 22 3HZ LYS 22 -19.935 2.285 -20.110
203 HZ2 LYS 22 1HZ LYS 22 -19.368 3.073 -18.724
204 HZ3 LYS 22 2HZ LYS 22 -20.489 1.815 -18.582
205 H GLN 23 H GLN 23 -14.283 4.583 -18.083
206 HA GLN 23 HA GLN 23 -16.213 5.655 -19.863
207 HB2 GLN 23 2HB GLN 23 -14.266 7.083 -18.045
208 HB3 GLN 23 3HB GLN 23 -15.658 7.820 -18.826
209 HG2 GLN 23 2HG GLN 23 -16.777 5.693 -17.521
210 HG3 GLN 23 3HG GLN 23 -15.501 6.194 -16.414
211 HE21 GLN 23 1HE2 GLN 23 -15.783 7.970 -15.207
212 HE22 GLN 23 2HE2 GLN 23 -17.153 9.017 -15.300
213 H GLU 24 H GLU 24 -15.830 7.574 -21.251
214 HA GLU 24 HA GLU 24 -13.826 7.002 -23.180
215 HB2 GLU 24 2HB GLU 24 -15.831 9.207 -22.825
216 HB3 GLU 24 3HB GLU 24 -14.599 9.322 -24.074
217 HG2 GLU 24 2HG GLU 24 -15.382 7.239 -25.058
218 HG3 GLU 24 3HG GLU 24 -16.602 7.093 -23.794
219 H GLN 25 H GLN 25 -11.761 7.212 -22.480
220 HA GLN 25 HA GLN 25 -10.788 9.177 -20.742
221 HB2 GLN 25 2HB GLN 25 -8.537 8.575 -21.752
222 HB3 GLN 25 3HB GLN 25 -9.456 7.249 -21.053
223 HG2 GLN 25 2HG GLN 25 -9.890 6.291 -23.086
224 HG3 GLN 25 3HG GLN 25 -9.740 7.815 -23.959
225 HE21 GLN 25 1HE2 GLN 25 -7.621 8.665 -24.313
226 HE22 GLN 25 2HE2 GLN 25 -6.259 7.605 -24.385
227 HA PRO 26 HA PRO 26 -10.363 12.823 -23.144
228 HB2 PRO 26 2HB PRO 26 -8.063 13.867 -22.149
229 HB3 PRO 26 3HB PRO 26 -9.581 13.850 -21.243
230 HG2 PRO 26 2HG PRO 26 -7.239 11.996 -21.048
231 HG3 PRO 26 3HG PRO 26 -8.205 12.718 -19.749
232 HD2 PRO 26 2HD PRO 26 -8.567 10.169 -20.590
233 HD3 PRO 26 3HD PRO 26 -9.899 11.171 -19.978
Start of MODEL 10
1 H1 VAL 1 H VAL 1 2.141 0.907 -0.031
2 HA VAL 1 HA VAL 1 2.089 1.136 -2.828
3 HB VAL 1 HB VAL 1 4.097 1.592 -1.476
4 HG11 VAL 1 1HG1 VAL 1 3.609 -0.685 -0.169
5 HG12 VAL 1 2HG1 VAL 1 4.803 -1.278 -1.326
6 HG13 VAL 1 3HG1 VAL 1 5.210 0.051 -0.240
7 HG21 VAL 1 3HG2 VAL 1 3.962 0.325 -3.976
8 HG22 VAL 1 1HG2 VAL 1 5.272 1.321 -3.342
9 HG23 VAL 1 2HG2 VAL 1 5.307 -0.428 -3.119
10 H SER 2 H SER 2 1.831 -1.629 -0.714
11 HA SER 2 HA SER 2 2.241 -3.563 -2.809
12 HB2 SER 2 2HB SER 2 2.659 -3.817 -0.239
13 HB3 SER 2 3HB SER 2 0.942 -4.219 -0.184
14 HG SER 2 HG SER 2 3.072 -5.642 -1.250
15 H VAL 3 H VAL 3 -0.386 -1.730 -1.604
16 HA VAL 3 HA VAL 3 -2.450 -3.540 -2.500
17 HB VAL 3 HB VAL 3 -4.016 -1.755 -1.909
18 HG11 VAL 3 1HG1 VAL 3 -3.495 -1.621 0.497
19 HG12 VAL 3 2HG1 VAL 3 -3.279 -3.248 -0.150
20 HG13 VAL 3 3HG1 VAL 3 -1.874 -2.229 0.161
21 HG21 VAL 3 3HG2 VAL 3 -1.535 -0.132 -1.348
22 HG22 VAL 3 1HG2 VAL 3 -2.727 0.171 -2.612
23 HG23 VAL 3 2HG2 VAL 3 -3.178 0.341 -0.916
24 H ASP 4 H ASP 4 -0.570 -0.988 -3.840
25 HA ASP 4 HA ASP 4 -2.285 -0.035 -5.834
26 HB2 ASP 4 2HB ASP 4 0.438 0.289 -5.113
27 HB3 ASP 4 3HB ASP 4 0.402 -0.125 -6.825
28 HA PRO 5 HA PRO 5 -0.383 -3.438 -8.711
29 HB2 PRO 5 2HB PRO 5 0.908 -5.486 -7.483
30 HB3 PRO 5 3HB PRO 5 1.729 -4.012 -8.012
31 HG2 PRO 5 2HG PRO 5 0.762 -4.766 -5.281
32 HG3 PRO 5 3HG PRO 5 2.290 -4.001 -5.755
33 HD2 PRO 5 2HD PRO 5 0.208 -2.594 -4.745
34 HD3 PRO 5 3HD PRO 5 1.333 -1.912 -5.937
35 H PHE 6 H PHE 6 -1.595 -4.361 -5.540
36 HA PHE 6 HA PHE 6 -2.721 -6.836 -6.198
37 HB2 PHE 6 2HB PHE 6 -2.434 -5.787 -3.885
38 HB3 PHE 6 3HB PHE 6 -3.925 -4.911 -4.215
39 HD1 PHE 6 HD2 PHE 6 -2.483 -8.307 -3.904
40 HD2 PHE 6 HD1 PHE 6 -6.010 -5.923 -3.902
41 HE1 PHE 6 HE2 PHE 6 -3.786 -10.241 -3.119
42 HE2 PHE 6 HE1 PHE 6 -7.318 -7.854 -3.116
43 HZ PHE 6 HZ PHE 6 -6.206 -10.016 -2.725
44 H TYR 7 H TYR 7 -4.365 -3.679 -5.953
45 HA TYR 7 HA TYR 7 -6.752 -4.648 -7.180
46 HB2 TYR 7 2HB TYR 7 -7.647 -2.635 -6.627
47 HB3 TYR 7 3HB TYR 7 -6.214 -2.521 -5.610
48 HD1 TYR 7 HD1 TYR 7 -4.283 -1.152 -6.346
49 HD2 TYR 7 HD2 TYR 7 -7.942 -1.204 -8.516
50 HE1 TYR 7 HE1 TYR 7 -3.612 0.905 -7.514
51 HE2 TYR 7 HE2 TYR 7 -7.281 0.853 -9.691
52 HH TYR 7 HH TYR 7 -5.814 2.685 -9.511
53 H GLU 8 H GLU 8 -3.768 -3.454 -8.362
54 HA GLU 8 HA GLU 8 -4.727 -2.480 -10.877
55 HB2 GLU 8 2HB GLU 8 -2.078 -2.948 -9.621
56 HB3 GLU 8 3HB GLU 8 -2.130 -2.941 -11.379
57 HG2 GLU 8 2HG GLU 8 -3.351 -0.722 -9.785
58 HG3 GLU 8 3HG GLU 8 -1.628 -0.746 -10.156
59 H MET 9 H MET 9 -3.307 -5.508 -9.731
60 HA MET 9 HA MET 9 -3.346 -6.707 -12.351
61 HB2 MET 9 2HB MET 9 -2.484 -8.675 -11.282
62 HB3 MET 9 3HB MET 9 -1.653 -7.281 -10.606
63 HG2 MET 9 2HG MET 9 -3.153 -7.366 -8.656
64 HG3 MET 9 3HG MET 9 -3.906 -8.811 -9.328
65 HE1 MET 9 3HE MET 9 -0.821 -7.323 -7.441
66 HE2 MET 9 1HE MET 9 0.424 -8.528 -7.773
67 HE3 MET 9 2HE MET 9 -0.207 -7.529 -9.082
68 H LEU 10 H LEU 10 -5.294 -6.859 -9.414
69 HA LEU 10 HA LEU 10 -7.038 -8.896 -10.468
70 HB2 LEU 10 2HB LEU 10 -6.833 -7.329 -7.959
71 HB3 LEU 10 3HB LEU 10 -8.414 -7.985 -8.378
72 HG LEU 10 HG LEU 10 -6.809 -10.172 -8.677
73 HD11 LEU 10 1HD1 LEU 10 -4.985 -8.640 -7.650
74 HD12 LEU 10 2HD1 LEU 10 -5.169 -10.290 -7.056
75 HD13 LEU 10 3HD1 LEU 10 -5.834 -8.943 -6.133
76 HD21 LEU 10 3HD2 LEU 10 -8.057 -9.385 -6.056
77 HD22 LEU 10 1HD2 LEU 10 -7.874 -11.001 -6.740
78 HD23 LEU 10 2HD2 LEU 10 -9.008 -9.860 -7.465
79 H ALA 11 H ALA 11 -8.894 -8.628 -11.551
80 HA ALA 11 HA ALA 11 -9.609 -5.985 -12.452
81 HB1 ALA 11 1HB ALA 11 -10.200 -8.736 -13.235
82 HB2 ALA 11 2HB ALA 11 -11.574 -7.641 -13.394
83 HB3 ALA 11 3HB ALA 11 -10.058 -7.279 -14.220
84 H ALA 12 H ALA 12 -11.203 -8.550 -10.569
85 HA ALA 12 HA ALA 12 -13.601 -7.190 -10.076
86 HB1 ALA 12 1HB ALA 12 -12.189 -9.331 -8.497
87 HB2 ALA 12 2HB ALA 12 -13.813 -8.750 -8.128
88 HB3 ALA 12 3HB ALA 12 -13.488 -9.536 -9.673
89 H ARG 13 H ARG 13 -10.455 -6.721 -8.793
90 HA ARG 13 HA ARG 13 -11.232 -5.516 -6.320
91 HB2 ARG 13 2HB ARG 13 -8.680 -5.717 -7.874
92 HB3 ARG 13 3HB ARG 13 -8.792 -4.584 -6.534
93 HG2 ARG 13 2HG ARG 13 -9.643 -7.389 -6.064
94 HG3 ARG 13 3HG ARG 13 -7.917 -7.047 -6.204
95 HD2 ARG 13 2HD ARG 13 -8.947 -6.978 -3.868
96 HD3 ARG 13 3HD ARG 13 -7.934 -5.618 -4.352
97 HE ARG 13 HE ARG 13 -10.854 -5.600 -4.089
98 HH11 ARG 13 1HH1 ARG 13 -7.860 -3.911 -4.646
99 HH12 ARG 13 2HH1 ARG 13 -8.556 -2.339 -4.430
100 HH21 ARG 13 1HH2 ARG 13 -11.781 -3.535 -3.803
101 HH22 ARG 13 2HH2 ARG 13 -10.786 -2.127 -3.950
102 H LYS 14 H LYS 14 -10.410 -4.322 -9.537
103 HA LYS 14 HA LYS 14 -10.437 -1.568 -8.861
104 HB2 LYS 14 2HB LYS 14 -10.906 -2.885 -11.542
105 HB3 LYS 14 3HB LYS 14 -10.544 -1.183 -11.286
106 HG2 LYS 14 2HG LYS 14 -8.352 -1.724 -10.452
107 HG3 LYS 14 3HG LYS 14 -8.710 -3.451 -10.537
108 HD2 LYS 14 2HD LYS 14 -7.375 -2.829 -12.444
109 HD3 LYS 14 3HD LYS 14 -9.008 -3.220 -12.988
110 HE2 LYS 14 2HE LYS 14 -9.544 -0.977 -13.364
111 HE3 LYS 14 3HE LYS 14 -8.211 -0.397 -12.366
112 HZ1 LYS 14 3HZ LYS 14 -7.410 -0.045 -14.470
113 HZ2 LYS 14 1HZ LYS 14 -8.159 -1.415 -15.122
114 HZ3 LYS 14 2HZ LYS 14 -6.780 -1.583 -14.157
115 H LYS 15 H LYS 15 -12.243 -0.881 -7.819
116 HA LYS 15 HA LYS 15 -14.882 -1.608 -8.733
117 HB2 LYS 15 2HB LYS 15 -13.810 0.108 -6.515
118 HB3 LYS 15 3HB LYS 15 -15.515 0.170 -6.943
119 HG2 LYS 15 2HG LYS 15 -15.906 -1.997 -6.248
120 HG3 LYS 15 3HG LYS 15 -14.208 -2.458 -6.391
121 HD2 LYS 15 2HD LYS 15 -13.987 -0.554 -4.519
122 HD3 LYS 15 3HD LYS 15 -15.634 -1.095 -4.183
123 HE2 LYS 15 2HE LYS 15 -13.749 -3.285 -4.598
124 HE3 LYS 15 3HE LYS 15 -13.333 -2.254 -3.230
125 HZ1 LYS 15 3HZ LYS 15 -16.038 -3.399 -3.621
126 HZ2 LYS 15 1HZ LYS 15 -15.417 -2.661 -2.231
127 HZ3 LYS 15 2HZ LYS 15 -14.833 -4.172 -2.719
128 H ARG 16 H ARG 16 -13.704 1.653 -7.972
129 HA ARG 16 HA ARG 16 -15.342 2.769 -10.066
130 HB2 ARG 16 2HB ARG 16 -15.208 3.997 -8.010
131 HB3 ARG 16 3HB ARG 16 -13.450 4.006 -8.066
132 HG2 ARG 16 2HG ARG 16 -13.378 5.779 -9.431
133 HG3 ARG 16 3HG ARG 16 -14.745 5.219 -10.397
134 HD2 ARG 16 2HD ARG 16 -16.138 6.575 -9.319
135 HD3 ARG 16 3HD ARG 16 -15.616 5.947 -7.756
136 HE ARG 16 HE ARG 16 -14.814 8.405 -8.980
137 HH11 ARG 16 1HH1 ARG 16 -13.825 5.877 -6.801
138 HH12 ARG 16 2HH1 ARG 16 -12.714 6.882 -5.931
139 HH21 ARG 16 1HH2 ARG 16 -13.355 9.739 -7.842
140 HH22 ARG 16 2HH2 ARG 16 -12.448 9.079 -6.524
141 H ILE 17 H ILE 17 -11.905 2.271 -9.459
142 HA ILE 17 HA ILE 17 -10.850 3.770 -11.558
143 HB ILE 17 HB ILE 17 -8.961 2.027 -11.493
144 HG12 ILE 17 2HG1 ILE 17 -10.851 0.508 -10.203
145 HG13 ILE 17 3HG1 ILE 17 -9.116 0.214 -10.163
146 HG21 ILE 17 1HG2 ILE 17 -9.791 3.603 -9.065
147 HG22 ILE 17 2HG2 ILE 17 -8.203 2.861 -9.258
148 HG23 ILE 17 3HG2 ILE 17 -8.730 4.120 -10.375
149 HD11 ILE 17 3HD1 ILE 17 -10.543 1.933 -8.156
150 HD12 ILE 17 1HD1 ILE 17 -10.269 0.203 -7.944
151 HD13 ILE 17 2HD1 ILE 17 -8.897 1.304 -8.073
152 H SER 18 H SER 18 -12.189 0.516 -11.518
153 HA SER 18 HA SER 18 -11.347 -0.333 -14.047
154 HB2 SER 18 2HB SER 18 -12.255 -2.037 -12.748
155 HB3 SER 18 3HB SER 18 -13.643 -1.064 -12.261
156 HG SER 18 HG SER 18 -14.551 -2.277 -13.759
157 H VAL 19 H VAL 19 -14.584 0.897 -13.179
158 HA VAL 19 HA VAL 19 -15.493 1.208 -15.808
159 HB VAL 19 HB VAL 19 -17.053 1.195 -13.961
160 HG11 VAL 19 1HG1 VAL 19 -15.566 2.345 -12.339
161 HG12 VAL 19 2HG1 VAL 19 -15.925 3.871 -13.149
162 HG13 VAL 19 3HG1 VAL 19 -17.214 2.971 -12.349
163 HG21 VAL 19 3HG2 VAL 19 -18.545 2.679 -14.852
164 HG22 VAL 19 1HG2 VAL 19 -17.358 3.979 -14.957
165 HG23 VAL 19 2HG2 VAL 19 -17.338 2.670 -16.138
166 H LYS 20 H LYS 20 -13.813 3.446 -13.655
167 HA LYS 20 HA LYS 20 -14.031 5.716 -15.342
168 HB2 LYS 20 2HB LYS 20 -13.561 5.999 -12.990
169 HB3 LYS 20 3HB LYS 20 -12.086 5.051 -13.127
170 HG2 LYS 20 2HG LYS 20 -10.927 6.748 -14.160
171 HG3 LYS 20 3HG LYS 20 -12.393 7.527 -14.760
172 HD2 LYS 20 2HD LYS 20 -12.957 8.098 -12.388
173 HD3 LYS 20 3HD LYS 20 -11.365 7.492 -11.925
174 HE2 LYS 20 2HE LYS 20 -11.529 9.512 -14.102
175 HE3 LYS 20 3HE LYS 20 -11.786 10.052 -12.444
176 HZ1 LYS 20 3HZ LYS 20 -9.371 8.835 -13.629
177 HZ2 LYS 20 1HZ LYS 20 -9.625 8.816 -11.956
178 HZ3 LYS 20 2HZ LYS 20 -9.515 10.290 -12.778
179 H LYS 21 H LYS 21 -12.041 2.929 -15.411
180 HA LYS 21 HA LYS 21 -9.894 4.115 -16.922
181 HB2 LYS 21 2HB LYS 21 -9.462 2.203 -15.460
182 HB3 LYS 21 3HB LYS 21 -10.583 1.218 -16.391
183 HG2 LYS 21 2HG LYS 21 -8.648 2.317 -18.167
184 HG3 LYS 21 3HG LYS 21 -7.815 1.581 -16.795
185 HD2 LYS 21 2HD LYS 21 -9.620 -0.335 -17.285
186 HD3 LYS 21 3HD LYS 21 -9.471 0.336 -18.911
187 HE2 LYS 21 2HE LYS 21 -6.975 -0.216 -17.399
188 HE3 LYS 21 3HE LYS 21 -7.879 -1.595 -18.022
189 HZ1 LYS 21 3HZ LYS 21 -6.499 0.537 -19.488
190 HZ2 LYS 21 1HZ LYS 21 -7.859 -0.179 -20.196
191 HZ3 LYS 21 2HZ LYS 21 -6.523 -1.129 -19.781
192 H LYS 22 H LYS 22 -12.642 1.983 -17.620
193 HA LYS 22 HA LYS 22 -12.070 1.846 -20.425
194 HB2 LYS 22 2HB LYS 22 -14.610 1.152 -18.939
195 HB3 LYS 22 3HB LYS 22 -14.229 0.699 -20.595
196 HG2 LYS 22 2HG LYS 22 -12.457 -0.729 -19.870
197 HG3 LYS 22 3HG LYS 22 -12.608 -0.154 -18.208
198 HD2 LYS 22 2HD LYS 22 -14.984 -1.371 -19.537
199 HD3 LYS 22 3HD LYS 22 -13.696 -2.428 -18.955
200 HE2 LYS 22 2HE LYS 22 -13.897 -1.254 -16.734
201 HE3 LYS 22 3HE LYS 22 -15.350 -0.478 -17.363
202 HZ1 LYS 22 3HZ LYS 22 -15.205 -3.380 -17.591
203 HZ2 LYS 22 1HZ LYS 22 -16.530 -2.385 -17.247
204 HZ3 LYS 22 2HZ LYS 22 -15.412 -2.754 -16.033
205 H GLN 23 H GLN 23 -13.693 4.065 -18.380
206 HA GLN 23 HA GLN 23 -15.569 5.147 -20.172
207 HB2 GLN 23 2HB GLN 23 -14.209 6.127 -17.699
208 HB3 GLN 23 3HB GLN 23 -15.114 7.273 -18.678
209 HG2 GLN 23 2HG GLN 23 -16.469 4.739 -17.990
210 HG3 GLN 23 3HG GLN 23 -16.200 5.889 -16.681
211 HE21 GLN 23 1HE2 GLN 23 -18.668 5.622 -16.911
212 HE22 GLN 23 2HE2 GLN 23 -19.452 6.814 -17.884
213 H GLU 24 H GLU 24 -15.462 7.326 -21.155
214 HA GLU 24 HA GLU 24 -13.311 7.514 -22.958
215 HB2 GLU 24 2HB GLU 24 -15.610 9.296 -22.247
216 HB3 GLU 24 3HB GLU 24 -14.340 9.901 -23.300
217 HG2 GLU 24 2HG GLU 24 -16.022 9.082 -24.717
218 HG3 GLU 24 3HG GLU 24 -14.738 7.875 -24.746
219 H GLN 25 H GLN 25 -11.846 9.352 -23.233
220 HA GLN 25 HA GLN 25 -10.465 9.924 -20.788
221 HB2 GLN 25 2HB GLN 25 -9.992 10.409 -23.684
222 HB3 GLN 25 3HB GLN 25 -9.149 11.447 -22.541
223 HG2 GLN 25 2HG GLN 25 -8.231 9.443 -21.442
224 HG3 GLN 25 3HG GLN 25 -9.018 8.444 -22.663
225 HE21 GLN 25 1HE2 GLN 25 -6.135 9.257 -21.856
226 HE22 GLN 25 2HE2 GLN 25 -5.384 9.559 -23.382
227 HA PRO 26 HA PRO 26 -12.039 13.886 -19.758
228 HB2 PRO 26 2HB PRO 26 -9.805 15.228 -18.998
229 HB3 PRO 26 3HB PRO 26 -10.525 13.936 -18.031
230 HG2 PRO 26 2HG PRO 26 -8.190 13.826 -19.900
231 HG3 PRO 26 3HG PRO 26 -8.374 13.093 -18.296
232 HD2 PRO 26 2HD PRO 26 -8.684 11.682 -20.586
233 HD3 PRO 26 3HD PRO 26 -9.599 11.318 -19.109
Start of MODEL 11
1 H1 VAL 1 H VAL 1 2.635 1.039 -0.812
2 HA VAL 1 HA VAL 1 2.724 1.109 -3.615
3 HB VAL 1 HB VAL 1 4.722 -0.233 -1.791
4 HG11 VAL 1 1HG1 VAL 1 6.072 0.952 -3.873
5 HG12 VAL 1 2HG1 VAL 1 5.681 -0.763 -3.738
6 HG13 VAL 1 3HG1 VAL 1 4.623 0.315 -4.649
7 HG21 VAL 1 3HG2 VAL 1 4.622 1.892 -0.894
8 HG22 VAL 1 1HG2 VAL 1 5.869 2.084 -2.127
9 HG23 VAL 1 2HG2 VAL 1 4.225 2.641 -2.441
10 H SER 2 H SER 2 2.416 -1.570 -1.351
11 HA SER 2 HA SER 2 2.654 -3.579 -3.401
12 HB2 SER 2 2HB SER 2 1.578 -3.987 -0.610
13 HB3 SER 2 3HB SER 2 2.346 -5.175 -1.663
14 HG SER 2 HG SER 2 3.608 -4.062 0.133
15 H VAL 3 H VAL 3 0.149 -1.640 -2.106
16 HA VAL 3 HA VAL 3 -2.008 -3.422 -2.821
17 HB VAL 3 HB VAL 3 -3.479 -1.511 -2.248
18 HG11 VAL 3 1HG1 VAL 3 -3.325 -1.919 -0.022
19 HG12 VAL 3 2HG1 VAL 3 -2.209 -3.166 -0.581
20 HG13 VAL 3 3HG1 VAL 3 -1.587 -1.630 0.024
21 HG21 VAL 3 3HG2 VAL 3 -0.974 -0.054 -1.437
22 HG22 VAL 3 1HG2 VAL 3 -1.791 0.222 -2.976
23 HG23 VAL 3 2HG2 VAL 3 -2.629 0.554 -1.460
24 H ASP 4 H ASP 4 -0.151 -0.957 -4.347
25 HA ASP 4 HA ASP 4 -1.956 -0.022 -6.268
26 HB2 ASP 4 2HB ASP 4 0.816 0.245 -5.721
27 HB3 ASP 4 3HB ASP 4 0.659 -0.206 -7.416
28 HA PRO 5 HA PRO 5 -0.310 -3.561 -9.138
29 HB2 PRO 5 2HB PRO 5 0.992 -5.608 -7.918
30 HB3 PRO 5 3HB PRO 5 1.821 -4.175 -8.538
31 HG2 PRO 5 2HG PRO 5 0.988 -4.817 -5.736
32 HG3 PRO 5 3HG PRO 5 2.507 -4.112 -6.317
33 HD2 PRO 5 2HD PRO 5 0.525 -2.615 -5.239
34 HD3 PRO 5 3HD PRO 5 1.599 -2.002 -6.512
35 H PHE 6 H PHE 6 -1.363 -4.357 -5.876
36 HA PHE 6 HA PHE 6 -2.589 -6.817 -6.386
37 HB2 PHE 6 2HB PHE 6 -2.158 -5.671 -4.132
38 HB3 PHE 6 3HB PHE 6 -3.660 -4.799 -4.420
39 HD1 PHE 6 HD2 PHE 6 -2.219 -8.188 -4.041
40 HD2 PHE 6 HD1 PHE 6 -5.732 -5.786 -3.965
41 HE1 PHE 6 HE2 PHE 6 -3.488 -10.080 -3.112
42 HE2 PHE 6 HE1 PHE 6 -7.007 -7.674 -3.035
43 HZ PHE 6 HZ PHE 6 -5.885 -9.825 -2.609
44 H TYR 7 H TYR 7 -4.185 -3.636 -6.111
45 HA TYR 7 HA TYR 7 -6.639 -4.574 -7.194
46 HB2 TYR 7 2HB TYR 7 -7.450 -2.511 -6.688
47 HB3 TYR 7 3HB TYR 7 -5.969 -2.406 -5.743
48 HD1 TYR 7 HD2 TYR 7 -4.035 -1.126 -6.614
49 HD2 TYR 7 HD1 TYR 7 -7.786 -1.147 -8.622
50 HE1 TYR 7 HE2 TYR 7 -3.358 0.865 -7.889
51 HE2 TYR 7 HE1 TYR 7 -7.118 0.843 -9.904
52 HH TYR 7 HH TYR 7 -3.875 2.226 -9.590
53 H GLU 8 H GLU 8 -3.697 -3.522 -8.589
54 HA GLU 8 HA GLU 8 -4.758 -2.608 -11.082
55 HB2 GLU 8 2HB GLU 8 -2.076 -3.110 -9.939
56 HB3 GLU 8 3HB GLU 8 -2.201 -3.246 -11.687
57 HG2 GLU 8 2HG GLU 8 -3.131 -0.986 -11.794
58 HG3 GLU 8 3HG GLU 8 -2.985 -0.850 -10.042
59 H MET 9 H MET 9 -3.366 -5.649 -9.924
60 HA MET 9 HA MET 9 -3.648 -6.934 -12.487
61 HB2 MET 9 2HB MET 9 -2.793 -8.908 -11.395
62 HB3 MET 9 3HB MET 9 -1.839 -7.521 -10.886
63 HG2 MET 9 2HG MET 9 -3.143 -7.424 -8.801
64 HG3 MET 9 3HG MET 9 -4.020 -8.865 -9.309
65 HE1 MET 9 3HE MET 9 -3.113 -10.752 -7.234
66 HE2 MET 9 1HE MET 9 -3.546 -10.955 -8.932
67 HE3 MET 9 2HE MET 9 -2.083 -11.709 -8.300
68 H LEU 10 H LEU 10 -5.365 -6.920 -9.404
69 HA LEU 10 HA LEU 10 -7.219 -8.965 -10.160
70 HB2 LEU 10 2HB LEU 10 -6.762 -7.211 -7.853
71 HB3 LEU 10 3HB LEU 10 -8.452 -7.621 -8.139
72 HG LEU 10 HG LEU 10 -7.519 -9.149 -6.534
73 HD11 LEU 10 1HD1 LEU 10 -8.410 -11.040 -7.417
74 HD12 LEU 10 2HD1 LEU 10 -7.543 -10.872 -8.943
75 HD13 LEU 10 3HD1 LEU 10 -8.976 -9.892 -8.631
76 HD21 LEU 10 3HD2 LEU 10 -5.147 -8.831 -7.336
77 HD22 LEU 10 1HD2 LEU 10 -5.508 -10.005 -8.601
78 HD23 LEU 10 2HD2 LEU 10 -5.599 -10.481 -6.905
79 H ALA 11 H ALA 11 -9.067 -8.788 -11.258
80 HA ALA 11 HA ALA 11 -9.802 -6.238 -12.386
81 HB1 ALA 11 1HB ALA 11 -9.896 -8.186 -13.798
82 HB2 ALA 11 2HB ALA 11 -11.020 -8.979 -12.693
83 HB3 ALA 11 3HB ALA 11 -11.526 -7.546 -13.588
84 H ALA 12 H ALA 12 -11.162 -8.520 -10.056
85 HA ALA 12 HA ALA 12 -13.615 -7.114 -9.701
86 HB1 ALA 12 1HB ALA 12 -13.939 -9.227 -8.980
87 HB2 ALA 12 2HB ALA 12 -12.269 -9.419 -8.448
88 HB3 ALA 12 3HB ALA 12 -13.422 -8.549 -7.436
89 H ARG 13 H ARG 13 -10.426 -6.676 -8.516
90 HA ARG 13 HA ARG 13 -11.066 -5.345 -6.082
91 HB2 ARG 13 2HB ARG 13 -8.621 -5.686 -7.754
92 HB3 ARG 13 3HB ARG 13 -8.635 -4.390 -6.567
93 HG2 ARG 13 2HG ARG 13 -9.460 -7.103 -5.687
94 HG3 ARG 13 3HG ARG 13 -7.747 -6.798 -5.981
95 HD2 ARG 13 2HD ARG 13 -8.437 -6.425 -3.626
96 HD3 ARG 13 3HD ARG 13 -7.736 -5.000 -4.392
97 HE ARG 13 HE ARG 13 -10.557 -5.392 -3.705
98 HH11 ARG 13 1HH1 ARG 13 -8.000 -3.359 -4.907
99 HH12 ARG 13 2HH1 ARG 13 -8.922 -1.898 -4.773
100 HH21 ARG 13 1HH2 ARG 13 -11.781 -3.476 -3.525
101 HH22 ARG 13 2HH2 ARG 13 -11.072 -1.966 -3.986
102 H LYS 14 H LYS 14 -10.241 -4.216 -9.345
103 HA LYS 14 HA LYS 14 -10.281 -1.468 -8.806
104 HB2 LYS 14 2HB LYS 14 -11.015 -2.869 -11.384
105 HB3 LYS 14 3HB LYS 14 -10.572 -1.174 -11.221
106 HG2 LYS 14 2HG LYS 14 -8.336 -1.762 -10.577
107 HG3 LYS 14 3HG LYS 14 -8.756 -3.476 -10.538
108 HD2 LYS 14 2HD LYS 14 -8.693 -3.681 -12.798
109 HD3 LYS 14 3HD LYS 14 -9.284 -2.040 -13.070
110 HE2 LYS 14 2HE LYS 14 -6.524 -2.613 -12.025
111 HE3 LYS 14 3HE LYS 14 -6.882 -2.529 -13.749
112 HZ1 LYS 14 3HZ LYS 14 -6.163 -0.428 -12.269
113 HZ2 LYS 14 1HZ LYS 14 -7.847 -0.297 -12.174
114 HZ3 LYS 14 2HZ LYS 14 -7.083 -0.309 -13.683
115 H LYS 15 H LYS 15 -11.983 -0.728 -7.627
116 HA LYS 15 HA LYS 15 -14.701 -1.430 -8.296
117 HB2 LYS 15 2HB LYS 15 -13.553 0.527 -6.299
118 HB3 LYS 15 3HB LYS 15 -15.271 0.193 -6.476
119 HG2 LYS 15 2HG LYS 15 -13.164 -1.822 -5.721
120 HG3 LYS 15 3HG LYS 15 -14.288 -1.036 -4.610
121 HD2 LYS 15 2HD LYS 15 -15.044 -2.829 -6.918
122 HD3 LYS 15 3HD LYS 15 -15.051 -3.281 -5.211
123 HE2 LYS 15 2HE LYS 15 -16.618 -1.192 -4.987
124 HE3 LYS 15 3HE LYS 15 -16.884 -1.463 -6.708
125 HZ1 LYS 15 3HZ LYS 15 -17.402 -3.374 -4.499
126 HZ2 LYS 15 1HZ LYS 15 -17.485 -3.785 -6.138
127 HZ3 LYS 15 2HZ LYS 15 -18.547 -2.634 -5.500
128 H ARG 16 H ARG 16 -13.411 1.828 -7.735
129 HA ARG 16 HA ARG 16 -15.201 2.914 -9.717
130 HB2 ARG 16 2HB ARG 16 -13.138 4.162 -7.903
131 HB3 ARG 16 3HB ARG 16 -14.073 5.091 -9.067
132 HG2 ARG 16 2HG ARG 16 -15.207 3.469 -6.797
133 HG3 ARG 16 3HG ARG 16 -15.026 5.224 -6.828
134 HD2 ARG 16 2HD ARG 16 -16.820 3.509 -8.529
135 HD3 ARG 16 3HD ARG 16 -17.285 4.761 -7.378
136 HE ARG 16 HE ARG 16 -16.581 5.133 -10.108
137 HH11 ARG 16 1HH1 ARG 16 -16.395 6.613 -6.962
138 HH12 ARG 16 2HH1 ARG 16 -16.327 8.229 -7.583
139 HH21 ARG 16 1HH2 ARG 16 -16.492 7.256 -10.937
140 HH22 ARG 16 2HH2 ARG 16 -16.384 8.594 -9.844
141 H ILE 17 H ILE 17 -11.735 2.366 -9.387
142 HA ILE 17 HA ILE 17 -10.836 3.784 -11.611
143 HB ILE 17 HB ILE 17 -8.979 2.005 -11.654
144 HG12 ILE 17 2HG1 ILE 17 -10.777 0.562 -10.165
145 HG13 ILE 17 3HG1 ILE 17 -9.050 0.237 -10.257
146 HG21 ILE 17 1HG2 ILE 17 -9.571 3.670 -9.216
147 HG22 ILE 17 2HG2 ILE 17 -8.020 2.889 -9.517
148 HG23 ILE 17 3HG2 ILE 17 -8.614 4.124 -10.625
149 HD11 ILE 17 3HD1 ILE 17 -10.276 2.044 -8.196
150 HD12 ILE 17 1HD1 ILE 17 -10.022 0.317 -7.952
151 HD13 ILE 17 2HD1 ILE 17 -8.643 1.381 -8.226
152 H SER 18 H SER 18 -12.221 0.559 -11.362
153 HA SER 18 HA SER 18 -11.612 -0.377 -13.927
154 HB2 SER 18 2HB SER 18 -12.436 -2.027 -12.508
155 HB3 SER 18 3HB SER 18 -13.759 -1.013 -11.931
156 HG SER 18 HG SER 18 -14.884 -2.096 -13.338
157 H VAL 19 H VAL 19 -14.755 0.914 -12.834
158 HA VAL 19 HA VAL 19 -15.861 1.183 -15.391
159 HB VAL 19 HB VAL 19 -17.274 1.219 -13.429
160 HG11 VAL 19 1HG1 VAL 19 -16.061 3.898 -12.763
161 HG12 VAL 19 2HG1 VAL 19 -17.299 3.034 -11.848
162 HG13 VAL 19 3HG1 VAL 19 -15.661 2.386 -11.948
163 HG21 VAL 19 3HG2 VAL 19 -17.600 2.794 -15.616
164 HG22 VAL 19 1HG2 VAL 19 -18.816 2.566 -14.359
165 HG23 VAL 19 2HG2 VAL 19 -17.758 3.977 -14.318
166 H LYS 20 H LYS 20 -14.003 3.445 -13.418
167 HA LYS 20 HA LYS 20 -14.346 5.728 -15.017
168 HB2 LYS 20 2HB LYS 20 -13.445 5.825 -12.741
169 HB3 LYS 20 3HB LYS 20 -12.007 4.955 -13.262
170 HG2 LYS 20 2HG LYS 20 -11.520 7.305 -13.066
171 HG3 LYS 20 3HG LYS 20 -11.447 6.822 -14.762
172 HD2 LYS 20 2HD LYS 20 -13.697 7.717 -15.113
173 HD3 LYS 20 3HD LYS 20 -13.775 8.193 -13.415
174 HE2 LYS 20 2HE LYS 20 -11.896 9.246 -15.524
175 HE3 LYS 20 3HE LYS 20 -13.208 10.119 -14.735
176 HZ1 LYS 20 3HZ LYS 20 -10.671 9.189 -13.515
177 HZ2 LYS 20 1HZ LYS 20 -11.980 9.756 -12.605
178 HZ3 LYS 20 2HZ LYS 20 -11.205 10.783 -13.702
179 H LYS 21 H LYS 21 -11.983 3.108 -15.144
180 HA LYS 21 HA LYS 21 -10.322 4.233 -17.128
181 HB2 LYS 21 2HB LYS 21 -10.785 1.456 -16.101
182 HB3 LYS 21 3HB LYS 21 -9.794 1.701 -17.533
183 HG2 LYS 21 2HG LYS 21 -9.266 3.139 -14.952
184 HG3 LYS 21 3HG LYS 21 -8.586 1.551 -15.315
185 HD2 LYS 21 2HD LYS 21 -7.416 2.411 -17.215
186 HD3 LYS 21 3HD LYS 21 -8.248 3.963 -17.092
187 HE2 LYS 21 2HE LYS 21 -6.015 4.184 -16.213
188 HE3 LYS 21 3HE LYS 21 -7.176 4.318 -14.893
189 HZ1 LYS 21 3HZ LYS 21 -5.261 2.178 -15.475
190 HZ2 LYS 21 1HZ LYS 21 -6.717 1.763 -14.719
191 HZ3 LYS 21 2HZ LYS 21 -5.676 2.880 -13.992
192 H LYS 22 H LYS 22 -13.160 2.135 -17.302
193 HA LYS 22 HA LYS 22 -13.076 1.603 -20.056
194 HB2 LYS 22 2HB LYS 22 -15.357 1.701 -18.086
195 HB3 LYS 22 3HB LYS 22 -15.584 1.239 -19.768
196 HG2 LYS 22 2HG LYS 22 -14.123 -0.650 -19.502
197 HG3 LYS 22 3HG LYS 22 -13.712 -0.147 -17.860
198 HD2 LYS 22 2HD LYS 22 -16.195 -0.349 -17.344
199 HD3 LYS 22 3HD LYS 22 -16.342 -1.182 -18.893
200 HE2 LYS 22 2HE LYS 22 -14.607 -2.011 -16.569
201 HE3 LYS 22 3HE LYS 22 -16.107 -2.783 -17.080
202 HZ1 LYS 22 3HZ LYS 22 -14.751 -4.106 -18.242
203 HZ2 LYS 22 1HZ LYS 22 -13.446 -3.032 -18.165
204 HZ3 LYS 22 2HZ LYS 22 -14.646 -2.822 -19.338
205 H GLN 23 H GLN 23 -13.870 4.456 -18.335
206 HA GLN 23 HA GLN 23 -15.509 5.624 -20.390
207 HB2 GLN 23 2HB GLN 23 -14.153 6.906 -18.011
208 HB3 GLN 23 3HB GLN 23 -15.362 7.671 -19.033
209 HG2 GLN 23 2HG GLN 23 -16.116 5.097 -17.804
210 HG3 GLN 23 3HG GLN 23 -15.935 6.472 -16.717
211 HE21 GLN 23 1HE2 GLN 23 -18.244 6.104 -16.380
212 HE22 GLN 23 2HE2 GLN 23 -19.369 6.832 -17.471
213 H GLU 24 H GLU 24 -14.896 7.731 -21.398
214 HA GLU 24 HA GLU 24 -12.397 7.433 -22.762
215 HB2 GLU 24 2HB GLU 24 -14.486 9.614 -22.852
216 HB3 GLU 24 3HB GLU 24 -13.073 9.561 -23.897
217 HG2 GLU 24 2HG GLU 24 -14.747 8.663 -25.214
218 HG3 GLU 24 3HG GLU 24 -13.921 7.239 -24.585
219 H GLN 25 H GLN 25 -10.650 7.763 -21.478
220 HA GLN 25 HA GLN 25 -10.421 9.671 -19.445
221 HB2 GLN 25 2HB GLN 25 -7.924 9.342 -19.790
222 HB3 GLN 25 3HB GLN 25 -8.862 7.896 -19.442
223 HG2 GLN 25 2HG GLN 25 -8.617 7.057 -21.563
224 HG3 GLN 25 3HG GLN 25 -8.354 8.647 -22.277
225 HE21 GLN 25 1HE2 GLN 25 -6.419 8.583 -23.183
226 HE22 GLN 25 2HE2 GLN 25 -4.964 8.047 -22.421
227 HA PRO 26 HA PRO 26 -9.710 13.508 -21.450
228 HB2 PRO 26 2HB PRO 26 -7.908 14.668 -19.784
229 HB3 PRO 26 3HB PRO 26 -9.610 14.454 -19.359
230 HG2 PRO 26 2HG PRO 26 -7.241 12.798 -18.580
231 HG3 PRO 26 3HG PRO 26 -8.605 13.337 -17.584
232 HD2 PRO 26 2HD PRO 26 -8.448 10.836 -18.610
233 HD3 PRO 26 3HD PRO 26 -9.995 11.672 -18.365
Start of MODEL 12
1 H1 VAL 1 H VAL 1 1.820 -0.144 1.068
2 HA VAL 1 HA VAL 1 1.897 0.711 -1.641
3 HB VAL 1 HB VAL 1 3.812 0.974 -0.109
4 HG11 VAL 1 1HG1 VAL 1 4.741 -1.789 -0.454
5 HG12 VAL 1 2HG1 VAL 1 4.846 -0.720 0.947
6 HG13 VAL 1 3HG1 VAL 1 3.353 -1.601 0.618
7 HG21 VAL 1 3HG2 VAL 1 3.861 0.132 -2.811
8 HG22 VAL 1 1HG2 VAL 1 5.028 1.144 -1.958
9 HG23 VAL 1 2HG2 VAL 1 5.242 -0.606 -1.999
10 H SER 2 H SER 2 1.669 -2.404 -0.077
11 HA SER 2 HA SER 2 2.255 -3.903 -2.466
12 HB2 SER 2 2HB SER 2 1.910 -5.850 -1.150
13 HB3 SER 2 3HB SER 2 2.677 -4.684 -0.072
14 HG SER 2 HG SER 2 0.145 -5.768 0.007
15 H VAL 3 H VAL 3 -0.501 -2.421 -1.081
16 HA VAL 3 HA VAL 3 -2.439 -4.112 -2.395
17 HB VAL 3 HB VAL 3 -2.849 -1.439 -1.047
18 HG11 VAL 3 1HG1 VAL 3 -5.203 -2.218 -0.870
19 HG12 VAL 3 2HG1 VAL 3 -4.671 -1.941 -2.529
20 HG13 VAL 3 3HG1 VAL 3 -4.785 -3.585 -1.902
21 HG21 VAL 3 3HG2 VAL 3 -2.342 -2.568 0.820
22 HG22 VAL 3 1HG2 VAL 3 -3.906 -3.354 0.602
23 HG23 VAL 3 2HG2 VAL 3 -2.438 -4.131 0.010
24 H ASP 4 H ASP 4 -0.626 -1.286 -3.147
25 HA ASP 4 HA ASP 4 -2.297 -0.044 -5.015
26 HB2 ASP 4 2HB ASP 4 0.387 0.228 -4.122
27 HB3 ASP 4 3HB ASP 4 0.420 0.165 -5.882
28 HA PRO 5 HA PRO 5 -0.123 -2.783 -8.369
29 HB2 PRO 5 2HB PRO 5 1.203 -4.976 -7.474
30 HB3 PRO 5 3HB PRO 5 1.980 -3.402 -7.680
31 HG2 PRO 5 2HG PRO 5 0.929 -4.683 -5.187
32 HG3 PRO 5 3HG PRO 5 2.441 -3.790 -5.434
33 HD2 PRO 5 2HD PRO 5 0.258 -2.670 -4.290
34 HD3 PRO 5 3HD PRO 5 1.402 -1.739 -5.278
35 H PHE 6 H PHE 6 -1.511 -4.238 -5.501
36 HA PHE 6 HA PHE 6 -2.473 -6.616 -6.652
37 HB2 PHE 6 2HB PHE 6 -2.339 -5.955 -4.167
38 HB3 PHE 6 3HB PHE 6 -3.882 -5.151 -4.432
39 HD1 PHE 6 HD1 PHE 6 -2.162 -8.413 -4.490
40 HD2 PHE 6 HD2 PHE 6 -5.897 -6.373 -4.552
41 HE1 PHE 6 HE1 PHE 6 -3.330 -10.548 -4.126
42 HE2 PHE 6 HE2 PHE 6 -7.071 -8.505 -4.187
43 HZ PHE 6 HZ PHE 6 -5.788 -10.595 -3.973
44 H TYR 7 H TYR 7 -4.226 -3.589 -5.950
45 HA TYR 7 HA TYR 7 -6.514 -4.397 -7.467
46 HB2 TYR 7 2HB TYR 7 -7.533 -2.553 -6.605
47 HB3 TYR 7 3HB TYR 7 -6.186 -2.624 -5.474
48 HD1 TYR 7 HD1 TYR 7 -4.213 -1.126 -5.825
49 HD2 TYR 7 HD2 TYR 7 -7.786 -0.729 -8.100
50 HE1 TYR 7 HE1 TYR 7 -3.535 1.145 -6.482
51 HE2 TYR 7 HE2 TYR 7 -7.117 1.542 -8.765
52 HH TYR 7 HH TYR 7 -4.818 3.299 -7.250
53 H GLU 8 H GLU 8 -3.514 -3.015 -8.251
54 HA GLU 8 HA GLU 8 -4.386 -1.548 -10.566
55 HB2 GLU 8 2HB GLU 8 -1.789 -2.169 -9.269
56 HB3 GLU 8 3HB GLU 8 -1.750 -1.814 -10.990
57 HG2 GLU 8 2HG GLU 8 -2.667 0.343 -10.658
58 HG3 GLU 8 3HG GLU 8 -3.064 -0.013 -8.978
59 H MET 9 H MET 9 -2.892 -4.691 -9.941
60 HA MET 9 HA MET 9 -2.750 -5.358 -12.742
61 HB2 MET 9 2HB MET 9 -1.842 -7.461 -12.026
62 HB3 MET 9 3HB MET 9 -1.112 -6.194 -11.050
63 HG2 MET 9 2HG MET 9 -3.102 -6.796 -9.422
64 HG3 MET 9 3HG MET 9 -3.011 -8.335 -10.275
65 HE1 MET 9 3HE MET 9 0.547 -8.752 -10.514
66 HE2 MET 9 1HE MET 9 0.036 -10.004 -9.382
67 HE3 MET 9 2HE MET 9 -1.017 -9.542 -10.719
68 H LEU 10 H LEU 10 -4.829 -6.132 -10.001
69 HA LEU 10 HA LEU 10 -6.400 -8.043 -11.452
70 HB2 LEU 10 2HB LEU 10 -6.435 -6.823 -8.760
71 HB3 LEU 10 3HB LEU 10 -7.978 -7.409 -9.378
72 HG LEU 10 HG LEU 10 -6.967 -9.102 -7.999
73 HD11 LEU 10 1HD1 LEU 10 -8.035 -9.564 -10.383
74 HD12 LEU 10 2HD1 LEU 10 -7.386 -10.860 -9.378
75 HD13 LEU 10 3HD1 LEU 10 -6.421 -10.202 -10.699
76 HD21 LEU 10 3HD2 LEU 10 -4.803 -9.795 -8.096
77 HD22 LEU 10 1HD2 LEU 10 -4.585 -8.142 -8.672
78 HD23 LEU 10 2HD2 LEU 10 -4.658 -9.475 -9.825
79 H ALA 11 H ALA 11 -8.126 -7.699 -12.701
80 HA ALA 11 HA ALA 11 -8.933 -4.993 -13.279
81 HB1 ALA 11 1HB ALA 11 -8.749 -7.177 -14.822
82 HB2 ALA 11 2HB ALA 11 -10.466 -7.243 -14.423
83 HB3 ALA 11 3HB ALA 11 -9.796 -5.809 -15.202
84 H ALA 12 H ALA 12 -10.354 -7.836 -11.739
85 HA ALA 12 HA ALA 12 -12.934 -6.678 -11.372
86 HB1 ALA 12 1HB ALA 12 -13.432 -8.600 -10.036
87 HB2 ALA 12 2HB ALA 12 -12.477 -9.127 -11.422
88 HB3 ALA 12 3HB ALA 12 -11.719 -8.969 -9.838
89 H ARG 13 H ARG 13 -9.937 -6.405 -9.724
90 HA ARG 13 HA ARG 13 -10.927 -5.763 -7.139
91 HB2 ARG 13 2HB ARG 13 -8.312 -5.536 -8.546
92 HB3 ARG 13 3HB ARG 13 -8.550 -4.565 -7.099
93 HG2 ARG 13 2HG ARG 13 -9.217 -7.459 -6.985
94 HG3 ARG 13 3HG ARG 13 -7.519 -6.978 -6.981
95 HD2 ARG 13 2HD ARG 13 -8.517 -7.242 -4.710
96 HD3 ARG 13 3HD ARG 13 -7.828 -5.648 -5.020
97 HE ARG 13 HE ARG 13 -10.679 -6.302 -4.827
98 HH11 ARG 13 1HH1 ARG 13 -8.139 -3.943 -5.156
99 HH12 ARG 13 2HH1 ARG 13 -9.168 -2.595 -4.803
100 HH21 ARG 13 1HH2 ARG 13 -12.043 -4.535 -4.360
101 HH22 ARG 13 2HH2 ARG 13 -11.388 -2.932 -4.349
102 H LYS 14 H LYS 14 -9.905 -3.800 -9.912
103 HA LYS 14 HA LYS 14 -10.220 -1.283 -8.729
104 HB2 LYS 14 2HB LYS 14 -10.559 -2.088 -11.624
105 HB3 LYS 14 3HB LYS 14 -10.397 -0.433 -11.051
106 HG2 LYS 14 2HG LYS 14 -8.163 -0.876 -10.264
107 HG3 LYS 14 3HG LYS 14 -8.320 -2.582 -10.687
108 HD2 LYS 14 2HD LYS 14 -8.075 -2.191 -12.922
109 HD3 LYS 14 3HD LYS 14 -8.800 -0.584 -12.831
110 HE2 LYS 14 2HE LYS 14 -6.182 -1.048 -11.490
111 HE3 LYS 14 3HE LYS 14 -6.214 -0.912 -13.247
112 HZ1 LYS 14 3HZ LYS 14 -7.768 1.142 -12.074
113 HZ2 LYS 14 1HZ LYS 14 -6.417 1.274 -13.084
114 HZ3 LYS 14 2HZ LYS 14 -6.212 1.151 -11.410
115 H LYS 15 H LYS 15 -12.054 -0.853 -7.629
116 HA LYS 15 HA LYS 15 -14.648 -1.588 -8.659
117 HB2 LYS 15 2HB LYS 15 -13.705 -0.132 -6.199
118 HB3 LYS 15 3HB LYS 15 -15.412 -0.221 -6.614
119 HG2 LYS 15 2HG LYS 15 -15.520 -2.498 -6.243
120 HG3 LYS 15 3HG LYS 15 -13.782 -2.719 -6.453
121 HD2 LYS 15 2HD LYS 15 -14.394 -2.960 -4.112
122 HD3 LYS 15 3HD LYS 15 -13.388 -1.528 -4.341
123 HE2 LYS 15 2HE LYS 15 -15.239 -0.077 -4.135
124 HE3 LYS 15 3HE LYS 15 -16.392 -1.400 -4.303
125 HZ1 LYS 15 3HZ LYS 15 -16.211 -1.942 -2.146
126 HZ2 LYS 15 1HZ LYS 15 -15.647 -0.357 -1.963
127 HZ3 LYS 15 2HZ LYS 15 -14.548 -1.637 -2.081
128 H ARG 16 H ARG 16 -13.702 1.575 -7.363
129 HA ARG 16 HA ARG 16 -15.402 2.903 -9.274
130 HB2 ARG 16 2HB ARG 16 -13.580 3.987 -7.120
131 HB3 ARG 16 3HB ARG 16 -14.655 4.972 -8.103
132 HG2 ARG 16 2HG ARG 16 -15.578 2.733 -6.316
133 HG3 ARG 16 3HG ARG 16 -15.537 4.434 -5.847
134 HD2 ARG 16 2HD ARG 16 -17.015 4.925 -7.801
135 HD3 ARG 16 3HD ARG 16 -17.156 3.187 -8.062
136 HE ARG 16 HE ARG 16 -18.658 3.104 -6.347
137 HH11 ARG 16 1HH1 ARG 16 -16.820 6.049 -6.080
138 HH12 ARG 16 2HH1 ARG 16 -17.766 6.674 -4.770
139 HH21 ARG 16 1HH2 ARG 16 -19.911 3.917 -4.622
140 HH22 ARG 16 2HH2 ARG 16 -19.523 5.460 -3.941
141 H ILE 17 H ILE 17 -11.943 2.553 -8.696
142 HA ILE 17 HA ILE 17 -10.985 4.448 -10.501
143 HB ILE 17 HB ILE 17 -8.975 2.859 -10.688
144 HG12 ILE 17 2HG1 ILE 17 -10.754 1.011 -9.715
145 HG13 ILE 17 3HG1 ILE 17 -9.003 0.842 -9.680
146 HG21 ILE 17 1HG2 ILE 17 -8.298 3.354 -8.328
147 HG22 ILE 17 2HG2 ILE 17 -8.903 4.742 -9.231
148 HG23 ILE 17 3HG2 ILE 17 -9.937 3.941 -8.049
149 HD11 ILE 17 3HD1 ILE 17 -8.893 1.576 -7.433
150 HD12 ILE 17 1HD1 ILE 17 -10.579 2.090 -7.450
151 HD13 ILE 17 2HD1 ILE 17 -10.179 0.373 -7.523
152 H SER 18 H SER 18 -12.096 1.151 -11.021
153 HA SER 18 HA SER 18 -11.176 0.784 -13.636
154 HB2 SER 18 2HB SER 18 -11.984 -1.169 -12.675
155 HB3 SER 18 3HB SER 18 -13.421 -0.378 -12.027
156 HG SER 18 HG SER 18 -14.182 -1.487 -13.725
157 H VAL 19 H VAL 19 -14.499 1.641 -12.653
158 HA VAL 19 HA VAL 19 -15.393 2.326 -15.215
159 HB VAL 19 HB VAL 19 -16.972 1.905 -13.434
160 HG11 VAL 19 1HG1 VAL 19 -15.588 2.862 -11.609
161 HG12 VAL 19 2HG1 VAL 19 -16.039 4.475 -12.164
162 HG13 VAL 19 3HG1 VAL 19 -17.275 3.373 -11.555
163 HG21 VAL 19 3HG2 VAL 19 -18.526 3.675 -13.845
164 HG22 VAL 19 1HG2 VAL 19 -17.224 4.795 -14.249
165 HG23 VAL 19 2HG2 VAL 19 -17.583 3.436 -15.315
166 H LYS 20 H LYS 20 -13.897 4.279 -12.683
167 HA LYS 20 HA LYS 20 -14.276 6.802 -13.842
168 HB2 LYS 20 2HB LYS 20 -13.487 6.318 -11.497
169 HB3 LYS 20 3HB LYS 20 -11.904 5.958 -12.175
170 HG2 LYS 20 2HG LYS 20 -13.148 8.571 -12.840
171 HG3 LYS 20 3HG LYS 20 -12.495 8.339 -11.216
172 HD2 LYS 20 2HD LYS 20 -10.407 7.434 -12.494
173 HD3 LYS 20 3HD LYS 20 -11.082 8.339 -13.851
174 HE2 LYS 20 2HE LYS 20 -10.759 9.640 -11.176
175 HE3 LYS 20 3HE LYS 20 -9.378 9.486 -12.259
176 HZ1 LYS 20 3HZ LYS 20 -10.473 11.602 -12.569
177 HZ2 LYS 20 1HZ LYS 20 -11.946 10.836 -12.893
178 HZ3 LYS 20 2HZ LYS 20 -10.649 10.659 -13.963
179 H LYS 21 H LYS 21 -11.722 4.402 -14.269
180 HA LYS 21 HA LYS 21 -10.082 6.036 -15.925
181 HB2 LYS 21 2HB LYS 21 -9.244 4.071 -14.663
182 HB3 LYS 21 3HB LYS 21 -10.170 3.020 -15.727
183 HG2 LYS 21 2HG LYS 21 -8.294 4.908 -17.016
184 HG3 LYS 21 3HG LYS 21 -7.593 3.565 -16.111
185 HD2 LYS 21 2HD LYS 21 -8.398 1.993 -17.556
186 HD3 LYS 21 3HD LYS 21 -9.820 2.951 -17.975
187 HE2 LYS 21 2HE LYS 21 -8.590 3.059 -19.923
188 HE3 LYS 21 3HE LYS 21 -8.084 4.533 -19.099
189 HZ1 LYS 21 3HZ LYS 21 -6.551 2.194 -19.778
190 HZ2 LYS 21 1HZ LYS 21 -6.323 2.707 -18.182
191 HZ3 LYS 21 2HZ LYS 21 -6.033 3.773 -19.462
192 H LYS 22 H LYS 22 -12.579 3.619 -16.552
193 HA LYS 22 HA LYS 22 -12.264 3.459 -19.339
194 HB2 LYS 22 2HB LYS 22 -13.630 1.934 -17.825
195 HB3 LYS 22 3HB LYS 22 -14.886 3.164 -17.876
196 HG2 LYS 22 2HG LYS 22 -14.924 2.945 -20.348
197 HG3 LYS 22 3HG LYS 22 -13.780 1.608 -20.203
198 HD2 LYS 22 2HD LYS 22 -16.280 1.514 -18.590
199 HD3 LYS 22 3HD LYS 22 -16.386 1.189 -20.322
200 HE2 LYS 22 2HE LYS 22 -14.524 -0.219 -18.412
201 HE3 LYS 22 3HE LYS 22 -16.079 -0.853 -18.950
202 HZ1 LYS 22 3HZ LYS 22 -13.551 -0.762 -20.336
203 HZ2 LYS 22 1HZ LYS 22 -14.866 -0.265 -21.277
204 HZ3 LYS 22 2HZ LYS 22 -14.871 -1.796 -20.558
205 H GLN 23 H GLN 23 -13.560 5.927 -17.346
206 HA GLN 23 HA GLN 23 -15.371 7.108 -19.166
207 HB2 GLN 23 2HB GLN 23 -13.802 8.358 -16.904
208 HB3 GLN 23 3HB GLN 23 -15.141 9.126 -17.746
209 HG2 GLN 23 2HG GLN 23 -16.215 6.726 -16.967
210 HG3 GLN 23 3HG GLN 23 -15.156 7.140 -15.620
211 HE21 GLN 23 1HE2 GLN 23 -15.736 8.727 -14.247
212 HE22 GLN 23 2HE2 GLN 23 -17.195 9.644 -14.375
213 H GLU 24 H GLU 24 -11.949 7.035 -19.028
214 HA GLU 24 HA GLU 24 -11.503 9.463 -20.496
215 HB2 GLU 24 2HB GLU 24 -9.875 8.270 -18.896
216 HB3 GLU 24 3HB GLU 24 -9.539 7.199 -20.248
217 HG2 GLU 24 2HG GLU 24 -8.838 9.115 -21.592
218 HG3 GLU 24 3HG GLU 24 -9.167 10.185 -20.231
219 H GLN 25 H GLN 25 -11.311 5.996 -21.274
220 HA GLN 25 HA GLN 25 -10.788 6.432 -24.040
221 HB2 GLN 25 2HB GLN 25 -11.426 4.073 -22.332
222 HB3 GLN 25 3HB GLN 25 -11.633 3.916 -24.071
223 HG2 GLN 25 2HG GLN 25 -9.097 4.687 -22.644
224 HG3 GLN 25 3HG GLN 25 -9.450 3.126 -23.384
225 HE21 GLN 25 1HE2 GLN 25 -8.473 6.380 -23.904
226 HE22 GLN 25 2HE2 GLN 25 -8.144 6.243 -25.594
227 HA PRO 26 HA PRO 26 -14.788 6.972 -25.752
228 HB2 PRO 26 2HB PRO 26 -14.660 5.491 -28.024
229 HB3 PRO 26 3HB PRO 26 -13.794 7.018 -27.823
230 HG2 PRO 26 2HG PRO 26 -12.781 4.215 -27.544
231 HG3 PRO 26 3HG PRO 26 -12.016 5.607 -28.331
232 HD2 PRO 26 2HD PRO 26 -11.327 4.779 -25.847
233 HD3 PRO 26 3HD PRO 26 -11.268 6.485 -26.336
Start of MODEL 13
1 H1 VAL 1 H VAL 1 2.941 0.104 -0.080
2 HA VAL 1 HA VAL 1 2.680 0.422 -2.870
3 HB VAL 1 HB VAL 1 4.854 -1.011 -1.337
4 HG11 VAL 1 1HG1 VAL 1 4.492 -0.323 -4.194
5 HG12 VAL 1 2HG1 VAL 1 6.097 -0.071 -3.504
6 HG13 VAL 1 3HG1 VAL 1 5.354 -1.670 -3.451
7 HG21 VAL 1 3HG2 VAL 1 6.072 1.143 -1.592
8 HG22 VAL 1 1HG2 VAL 1 4.586 1.861 -2.214
9 HG23 VAL 1 2HG2 VAL 1 4.648 1.254 -0.559
10 H SER 2 H SER 2 2.272 -2.311 -0.768
11 HA SER 2 HA SER 2 2.430 -4.275 -2.869
12 HB2 SER 2 2HB SER 2 1.689 -4.369 0.046
13 HB3 SER 2 3HB SER 2 1.432 -5.764 -1.001
14 HG SER 2 HG SER 2 3.588 -5.940 -1.317
15 H VAL 3 H VAL 3 0.030 -2.197 -1.591
16 HA VAL 3 HA VAL 3 -2.223 -3.802 -2.423
17 HB VAL 3 HB VAL 3 -2.199 -0.894 -1.607
18 HG11 VAL 3 1HG1 VAL 3 -4.278 -2.776 -2.408
19 HG12 VAL 3 2HG1 VAL 3 -4.601 -1.990 -0.862
20 HG13 VAL 3 3HG1 VAL 3 -4.320 -1.016 -2.306
21 HG21 VAL 3 3HG2 VAL 3 -3.187 -2.214 0.536
22 HG22 VAL 3 1HG2 VAL 3 -1.989 -3.374 -0.037
23 HG23 VAL 3 2HG2 VAL 3 -1.500 -1.729 0.368
24 H ASP 4 H ASP 4 -0.152 -1.431 -3.814
25 HA ASP 4 HA ASP 4 -1.826 -0.311 -5.755
26 HB2 ASP 4 2HB ASP 4 0.953 -0.286 -5.132
27 HB3 ASP 4 3HB ASP 4 0.788 -0.631 -6.852
28 HA PRO 5 HA PRO 5 -0.350 -3.874 -8.689
29 HB2 PRO 5 2HB PRO 5 0.760 -6.046 -7.497
30 HB3 PRO 5 3HB PRO 5 1.711 -4.661 -8.045
31 HG2 PRO 5 2HG PRO 5 0.744 -5.323 -5.291
32 HG3 PRO 5 3HG PRO 5 2.328 -4.714 -5.804
33 HD2 PRO 5 2HD PRO 5 0.427 -3.108 -4.738
34 HD3 PRO 5 3HD PRO 5 1.583 -2.539 -5.958
35 H PHE 6 H PHE 6 -1.540 -4.716 -5.480
36 HA PHE 6 HA PHE 6 -2.936 -7.049 -6.121
37 HB2 PHE 6 2HB PHE 6 -2.469 -5.973 -3.813
38 HB3 PHE 6 3HB PHE 6 -3.953 -5.069 -4.099
39 HD1 PHE 6 HD1 PHE 6 -6.104 -6.183 -4.128
40 HD2 PHE 6 HD2 PHE 6 -2.512 -8.346 -3.393
41 HE1 PHE 6 HE1 PHE 6 -7.423 -8.081 -3.285
42 HE2 PHE 6 HE2 PHE 6 -3.826 -10.247 -2.550
43 HZ PHE 6 HZ PHE 6 -6.284 -10.117 -2.496
44 H TYR 7 H TYR 7 -4.330 -3.791 -5.693
45 HA TYR 7 HA TYR 7 -6.814 -4.481 -6.864
46 HB2 TYR 7 2HB TYR 7 -7.462 -2.384 -6.287
47 HB3 TYR 7 3HB TYR 7 -5.975 -2.411 -5.346
48 HD1 TYR 7 HD2 TYR 7 -3.944 -1.274 -6.218
49 HD2 TYR 7 HD1 TYR 7 -7.715 -0.931 -8.159
50 HE1 TYR 7 HE2 TYR 7 -3.126 0.694 -7.446
51 HE2 TYR 7 HE1 TYR 7 -6.907 1.037 -9.394
52 HH TYR 7 HH TYR 7 -5.130 2.300 -9.887
53 H GLU 8 H GLU 8 -3.775 -3.633 -8.190
54 HA GLU 8 HA GLU 8 -4.734 -2.571 -10.670
55 HB2 GLU 8 2HB GLU 8 -2.106 -3.293 -9.511
56 HB3 GLU 8 3HB GLU 8 -2.219 -3.348 -11.264
57 HG2 GLU 8 2HG GLU 8 -3.118 -0.950 -9.712
58 HG3 GLU 8 3HG GLU 8 -1.433 -1.178 -10.176
59 H MET 9 H MET 9 -3.538 -5.724 -9.587
60 HA MET 9 HA MET 9 -3.883 -6.918 -12.186
61 HB2 MET 9 2HB MET 9 -3.149 -8.967 -11.150
62 HB3 MET 9 3HB MET 9 -2.122 -7.654 -10.591
63 HG2 MET 9 2HG MET 9 -3.430 -7.548 -8.511
64 HG3 MET 9 3HG MET 9 -4.393 -8.913 -9.072
65 HE1 MET 9 3HE MET 9 0.008 -9.034 -7.734
66 HE2 MET 9 1HE MET 9 -0.552 -7.986 -9.038
67 HE3 MET 9 2HE MET 9 -1.129 -7.729 -7.391
68 H LEU 10 H LEU 10 -5.614 -6.886 -9.112
69 HA LEU 10 HA LEU 10 -7.601 -8.770 -9.988
70 HB2 LEU 10 2HB LEU 10 -6.974 -7.279 -7.547
71 HB3 LEU 10 3HB LEU 10 -8.699 -7.498 -7.833
72 HG LEU 10 HG LEU 10 -7.920 -9.251 -6.396
73 HD11 LEU 10 1HD1 LEU 10 -8.035 -10.998 -8.667
74 HD12 LEU 10 2HD1 LEU 10 -9.186 -9.677 -8.858
75 HD13 LEU 10 3HD1 LEU 10 -9.248 -10.698 -7.422
76 HD21 LEU 10 3HD2 LEU 10 -5.958 -10.037 -8.543
77 HD22 LEU 10 1HD2 LEU 10 -6.135 -10.736 -6.933
78 HD23 LEU 10 2HD2 LEU 10 -5.528 -9.090 -7.117
79 H ALA 11 H ALA 11 -9.425 -8.366 -11.058
80 HA ALA 11 HA ALA 11 -9.998 -5.679 -11.930
81 HB1 ALA 11 1HB ALA 11 -10.770 -6.782 -13.690
82 HB2 ALA 11 2HB ALA 11 -10.577 -8.318 -12.843
83 HB3 ALA 11 3HB ALA 11 -12.085 -7.415 -12.699
84 H ALA 12 H ALA 12 -11.490 -8.076 -9.808
85 HA ALA 12 HA ALA 12 -13.875 -6.638 -9.311
86 HB1 ALA 12 1HB ALA 12 -14.437 -8.363 -7.970
87 HB2 ALA 12 2HB ALA 12 -13.063 -9.142 -8.756
88 HB3 ALA 12 3HB ALA 12 -12.865 -8.396 -7.170
89 H ARG 13 H ARG 13 -10.659 -6.258 -8.181
90 HA ARG 13 HA ARG 13 -11.308 -4.930 -5.723
91 HB2 ARG 13 2HB ARG 13 -8.867 -5.622 -7.219
92 HB3 ARG 13 3HB ARG 13 -8.761 -4.134 -6.288
93 HG2 ARG 13 2HG ARG 13 -9.544 -6.827 -5.193
94 HG3 ARG 13 3HG ARG 13 -7.960 -6.067 -5.027
95 HD2 ARG 13 2HD ARG 13 -9.377 -4.089 -4.032
96 HD3 ARG 13 3HD ARG 13 -10.553 -5.369 -3.734
97 HE ARG 13 HE ARG 13 -9.170 -6.233 -2.109
98 HH11 ARG 13 1HH1 ARG 13 -7.482 -3.792 -3.928
99 HH12 ARG 13 2HH1 ARG 13 -6.140 -3.720 -2.834
100 HH21 ARG 13 1HH2 ARG 13 -7.409 -6.148 -0.662
101 HH22 ARG 13 2HH2 ARG 13 -6.099 -5.061 -0.977
102 H LYS 14 H LYS 14 -10.475 -3.925 -9.002
103 HA LYS 14 HA LYS 14 -10.250 -1.163 -8.483
104 HB2 LYS 14 2HB LYS 14 -11.033 -2.585 -11.035
105 HB3 LYS 14 3HB LYS 14 -10.566 -0.893 -10.922
106 HG2 LYS 14 2HG LYS 14 -8.343 -1.501 -10.231
107 HG3 LYS 14 3HG LYS 14 -8.792 -3.207 -10.171
108 HD2 LYS 14 2HD LYS 14 -8.789 -3.428 -12.449
109 HD3 LYS 14 3HD LYS 14 -9.216 -1.737 -12.722
110 HE2 LYS 14 2HE LYS 14 -6.537 -2.619 -11.667
111 HE3 LYS 14 3HE LYS 14 -6.874 -2.401 -13.383
112 HZ1 LYS 14 3HZ LYS 14 -5.974 -0.382 -12.731
113 HZ2 LYS 14 1HZ LYS 14 -6.790 -0.365 -11.249
114 HZ3 LYS 14 2HZ LYS 14 -7.637 -0.077 -12.684
115 H LYS 15 H LYS 15 -11.897 -0.282 -7.323
116 HA LYS 15 HA LYS 15 -14.656 -0.784 -7.998
117 HB2 LYS 15 2HB LYS 15 -13.440 1.189 -6.055
118 HB3 LYS 15 3HB LYS 15 -15.152 0.807 -6.182
119 HG2 LYS 15 2HG LYS 15 -12.991 -1.157 -5.444
120 HG3 LYS 15 3HG LYS 15 -14.057 -0.334 -4.304
121 HD2 LYS 15 2HD LYS 15 -15.767 -1.720 -4.735
122 HD3 LYS 15 3HD LYS 15 -15.478 -1.678 -6.476
123 HE2 LYS 15 2HE LYS 15 -14.860 -3.819 -6.190
124 HE3 LYS 15 3HE LYS 15 -13.342 -3.118 -5.630
125 HZ1 LYS 15 3HZ LYS 15 -15.352 -4.546 -4.154
126 HZ2 LYS 15 1HZ LYS 15 -14.881 -3.104 -3.405
127 HZ3 LYS 15 2HZ LYS 15 -13.724 -4.279 -3.782
128 H ARG 16 H ARG 16 -13.211 2.397 -7.426
129 HA ARG 16 HA ARG 16 -14.850 3.537 -9.513
130 HB2 ARG 16 2HB ARG 16 -12.931 4.681 -7.497
131 HB3 ARG 16 3HB ARG 16 -13.607 5.670 -8.784
132 HG2 ARG 16 2HG ARG 16 -15.447 4.091 -7.055
133 HG3 ARG 16 3HG ARG 16 -14.734 5.578 -6.429
134 HD2 ARG 16 2HD ARG 16 -15.774 6.899 -8.039
135 HD3 ARG 16 3HD ARG 16 -16.060 5.531 -9.113
136 HE ARG 16 HE ARG 16 -17.748 6.435 -6.986
137 HH11 ARG 16 1HH1 ARG 16 -16.770 3.651 -8.833
138 HH12 ARG 16 2HH1 ARG 16 -18.246 2.786 -8.556
139 HH21 ARG 16 1HH2 ARG 16 -19.695 5.307 -6.615
140 HH22 ARG 16 2HH2 ARG 16 -19.909 3.730 -7.295
141 H ILE 17 H ILE 17 -11.621 2.404 -9.162
142 HA ILE 17 HA ILE 17 -10.440 3.946 -11.251
143 HB ILE 17 HB ILE 17 -8.707 2.030 -11.192
144 HG12 ILE 17 2HG1 ILE 17 -10.650 0.737 -9.777
145 HG13 ILE 17 3HG1 ILE 17 -8.939 0.328 -9.723
146 HG21 ILE 17 1HG2 ILE 17 -9.287 3.819 -8.842
147 HG22 ILE 17 2HG2 ILE 17 -7.792 2.902 -9.021
148 HG23 ILE 17 3HG2 ILE 17 -8.216 4.136 -10.207
149 HD11 ILE 17 3HD1 ILE 17 -10.105 0.549 -7.507
150 HD12 ILE 17 1HD1 ILE 17 -8.629 1.494 -7.700
151 HD13 ILE 17 2HD1 ILE 17 -10.203 2.280 -7.828
152 H SER 18 H SER 18 -12.039 0.817 -11.077
153 HA SER 18 HA SER 18 -11.346 -0.176 -13.596
154 HB2 SER 18 2HB SER 18 -12.371 -1.757 -12.236
155 HB3 SER 18 3HB SER 18 -13.642 -0.646 -11.727
156 HG SER 18 HG SER 18 -13.912 -2.456 -13.506
157 H VAL 19 H VAL 19 -14.354 1.500 -12.659
158 HA VAL 19 HA VAL 19 -15.378 1.756 -15.257
159 HB VAL 19 HB VAL 19 -16.810 2.065 -13.332
160 HG11 VAL 19 1HG1 VAL 19 -15.305 4.618 -12.778
161 HG12 VAL 19 2HG1 VAL 19 -16.644 3.947 -11.846
162 HG13 VAL 19 3HG1 VAL 19 -15.089 3.115 -11.880
163 HG21 VAL 19 3HG2 VAL 19 -17.178 3.313 -15.553
164 HG22 VAL 19 1HG2 VAL 19 -18.118 3.814 -14.148
165 HG23 VAL 19 2HG2 VAL 19 -16.715 4.756 -14.651
166 H LYS 20 H LYS 20 -13.295 3.876 -13.351
167 HA LYS 20 HA LYS 20 -13.326 6.104 -15.052
168 HB2 LYS 20 2HB LYS 20 -12.417 6.084 -12.735
169 HB3 LYS 20 3HB LYS 20 -11.042 5.153 -13.314
170 HG2 LYS 20 2HG LYS 20 -10.266 7.347 -13.218
171 HG3 LYS 20 3HG LYS 20 -10.629 7.086 -14.925
172 HD2 LYS 20 2HD LYS 20 -12.494 8.444 -14.873
173 HD3 LYS 20 3HD LYS 20 -12.729 8.230 -13.137
174 HE2 LYS 20 2HE LYS 20 -11.963 10.453 -13.459
175 HE3 LYS 20 3HE LYS 20 -10.609 9.539 -12.797
176 HZ1 LYS 20 3HZ LYS 20 -10.976 10.056 -15.694
177 HZ2 LYS 20 1HZ LYS 20 -9.611 9.410 -14.932
178 HZ3 LYS 20 2HZ LYS 20 -10.031 11.029 -14.682
179 H LYS 21 H LYS 21 -11.290 3.216 -15.032
180 HA LYS 21 HA LYS 21 -9.505 4.036 -17.055
181 HB2 LYS 21 2HB LYS 21 -9.021 2.165 -15.552
182 HB3 LYS 21 3HB LYS 21 -10.352 1.248 -16.246
183 HG2 LYS 21 2HG LYS 21 -8.235 2.223 -18.082
184 HG3 LYS 21 3HG LYS 21 -7.849 0.880 -17.003
185 HD2 LYS 21 2HD LYS 21 -10.104 -0.100 -17.872
186 HD3 LYS 21 3HD LYS 21 -9.864 1.027 -19.209
187 HE2 LYS 21 2HE LYS 21 -8.812 -0.833 -20.035
188 HE3 LYS 21 3HE LYS 21 -7.459 -0.026 -19.243
189 HZ1 LYS 21 3HZ LYS 21 -8.544 -1.560 -17.277
190 HZ2 LYS 21 1HZ LYS 21 -7.167 -1.943 -18.182
191 HZ3 LYS 21 2HZ LYS 21 -8.677 -2.547 -18.644
192 H LYS 22 H LYS 22 -12.569 2.277 -17.157
193 HA LYS 22 HA LYS 22 -12.487 1.762 -19.956
194 HB2 LYS 22 2HB LYS 22 -13.928 0.685 -18.021
195 HB3 LYS 22 3HB LYS 22 -15.073 1.943 -18.469
196 HG2 LYS 22 2HG LYS 22 -15.824 0.365 -19.881
197 HG3 LYS 22 3HG LYS 22 -14.509 0.955 -20.901
198 HD2 LYS 22 2HD LYS 22 -13.869 -1.164 -18.923
199 HD3 LYS 22 3HD LYS 22 -14.824 -1.626 -20.333
200 HE2 LYS 22 2HE LYS 22 -12.182 -0.177 -20.444
201 HE3 LYS 22 3HE LYS 22 -12.381 -1.917 -20.651
202 HZ1 LYS 22 3HZ LYS 22 -12.926 0.234 -22.500
203 HZ2 LYS 22 1HZ LYS 22 -14.140 -0.942 -22.426
204 HZ3 LYS 22 2HZ LYS 22 -12.553 -1.388 -22.804
205 H GLN 23 H GLN 23 -13.279 4.510 -18.071
206 HA GLN 23 HA GLN 23 -15.026 5.755 -19.970
207 HB2 GLN 23 2HB GLN 23 -13.568 6.753 -17.531
208 HB3 GLN 23 3HB GLN 23 -14.524 7.821 -18.550
209 HG2 GLN 23 2HG GLN 23 -15.795 5.336 -17.540
210 HG3 GLN 23 3HG GLN 23 -15.536 6.666 -16.413
211 HE21 GLN 23 1HE2 GLN 23 -17.995 6.291 -16.524
212 HE22 GLN 23 2HE2 GLN 23 -18.849 7.307 -17.630
213 H GLU 24 H GLU 24 -14.115 6.001 -21.952
214 HA GLU 24 HA GLU 24 -11.433 6.756 -22.415
215 HB2 GLU 24 2HB GLU 24 -12.992 5.606 -24.044
216 HB3 GLU 24 3HB GLU 24 -13.747 7.172 -24.307
217 HG2 GLU 24 2HG GLU 24 -12.059 6.533 -26.016
218 HG3 GLU 24 3HG GLU 24 -11.749 8.075 -25.220
219 H GLN 25 H GLN 25 -10.512 8.655 -22.069
220 HA GLN 25 HA GLN 25 -12.049 11.001 -21.503
221 HB2 GLN 25 2HB GLN 25 -9.155 10.298 -21.558
222 HB3 GLN 25 3HB GLN 25 -9.589 12.000 -21.653
223 HG2 GLN 25 2HG GLN 25 -10.951 10.480 -19.543
224 HG3 GLN 25 3HG GLN 25 -9.206 10.643 -19.353
225 HE21 GLN 25 1HE2 GLN 25 -12.192 12.102 -18.905
226 HE22 GLN 25 2HE2 GLN 25 -11.645 13.693 -18.512
227 HA PRO 26 HA PRO 26 -12.232 12.973 -25.415
228 HB2 PRO 26 2HB PRO 26 -11.750 15.570 -24.790
229 HB3 PRO 26 3HB PRO 26 -13.256 14.745 -24.371
230 HG2 PRO 26 2HG PRO 26 -10.858 15.293 -22.664
231 HG3 PRO 26 3HG PRO 26 -12.578 15.447 -22.260
232 HD2 PRO 26 2HD PRO 26 -11.088 13.320 -21.495
233 HD3 PRO 26 3HD PRO 26 -12.819 13.189 -21.869
Start of MODEL 14
1 H1 VAL 1 H VAL 1 1.483 0.023 1.118
2 HA VAL 1 HA VAL 1 1.729 0.778 -1.570
3 HB VAL 1 HB VAL 1 3.579 1.042 -0.024
4 HG11 VAL 1 1HG1 VAL 1 4.774 -0.743 0.953
5 HG12 VAL 1 2HG1 VAL 1 3.068 -1.109 1.215
6 HG13 VAL 1 3HG1 VAL 1 3.964 -1.940 -0.057
7 HG21 VAL 1 3HG2 VAL 1 3.773 0.176 -2.629
8 HG22 VAL 1 1HG2 VAL 1 5.081 0.868 -1.669
9 HG23 VAL 1 2HG2 VAL 1 4.893 -0.882 -1.772
10 H SER 2 H SER 2 1.439 -2.368 -0.052
11 HA SER 2 HA SER 2 2.085 -3.823 -2.453
12 HB2 SER 2 2HB SER 2 1.511 -5.815 -1.156
13 HB3 SER 2 3HB SER 2 2.557 -4.756 -0.211
14 HG SER 2 HG SER 2 0.834 -5.460 1.059
15 H VAL 3 H VAL 3 -0.708 -2.377 -1.104
16 HA VAL 3 HA VAL 3 -2.609 -4.052 -2.490
17 HB VAL 3 HB VAL 3 -4.307 -2.501 -1.664
18 HG11 VAL 3 1HG1 VAL 3 -2.345 -3.063 0.548
19 HG12 VAL 3 2HG1 VAL 3 -4.105 -2.986 0.651
20 HG13 VAL 3 3HG1 VAL 3 -3.328 -4.312 -0.215
21 HG21 VAL 3 3HG2 VAL 3 -2.970 -0.436 -1.912
22 HG22 VAL 3 1HG2 VAL 3 -3.737 -0.568 -0.330
23 HG23 VAL 3 2HG2 VAL 3 -2.017 -0.913 -0.507
24 H ASP 4 H ASP 4 -0.793 -1.204 -3.150
25 HA ASP 4 HA ASP 4 -2.429 0.065 -5.032
26 HB2 ASP 4 2HB ASP 4 0.237 0.328 -4.077
27 HB3 ASP 4 3HB ASP 4 0.303 0.304 -5.838
28 HA PRO 5 HA PRO 5 -0.169 -2.605 -8.385
29 HB2 PRO 5 2HB PRO 5 1.142 -4.811 -7.500
30 HB3 PRO 5 3HB PRO 5 1.919 -3.231 -7.660
31 HG2 PRO 5 2HG PRO 5 0.815 -4.561 -5.216
32 HG3 PRO 5 3HG PRO 5 2.329 -3.660 -5.411
33 HD2 PRO 5 2HD PRO 5 0.117 -2.566 -4.297
34 HD3 PRO 5 3HD PRO 5 1.281 -1.614 -5.241
35 H PHE 6 H PHE 6 -1.499 -4.238 -5.559
36 HA PHE 6 HA PHE 6 -2.474 -6.541 -6.817
37 HB2 PHE 6 2HB PHE 6 -2.336 -5.964 -4.299
38 HB3 PHE 6 3HB PHE 6 -3.909 -5.207 -4.535
39 HD1 PHE 6 HD1 PHE 6 -5.868 -6.549 -5.072
40 HD2 PHE 6 HD2 PHE 6 -2.079 -8.348 -4.349
41 HE1 PHE 6 HE1 PHE 6 -6.963 -8.735 -4.791
42 HE2 PHE 6 HE2 PHE 6 -3.167 -10.537 -4.068
43 HZ PHE 6 HZ PHE 6 -5.612 -10.732 -4.290
44 H TYR 7 H TYR 7 -4.232 -3.550 -5.989
45 HA TYR 7 HA TYR 7 -6.540 -4.307 -7.497
46 HB2 TYR 7 2HB TYR 7 -7.534 -2.516 -6.531
47 HB3 TYR 7 3HB TYR 7 -6.121 -2.541 -5.483
48 HD1 TYR 7 HD1 TYR 7 -4.263 -0.950 -5.873
49 HD2 TYR 7 HD2 TYR 7 -7.884 -0.746 -8.099
50 HE1 TYR 7 HE1 TYR 7 -3.694 1.336 -6.580
51 HE2 TYR 7 HE2 TYR 7 -7.324 1.540 -8.812
52 HH TYR 7 HH TYR 7 -4.293 3.092 -7.795
53 H GLU 8 H GLU 8 -3.542 -2.940 -8.301
54 HA GLU 8 HA GLU 8 -4.447 -1.424 -10.577
55 HB2 GLU 8 2HB GLU 8 -1.844 -2.031 -9.297
56 HB3 GLU 8 3HB GLU 8 -1.804 -1.690 -11.021
57 HG2 GLU 8 2HG GLU 8 -3.285 0.156 -9.216
58 HG3 GLU 8 3HG GLU 8 -1.524 0.224 -9.266
59 H MET 9 H MET 9 -2.922 -4.566 -10.018
60 HA MET 9 HA MET 9 -2.801 -5.187 -12.829
61 HB2 MET 9 2HB MET 9 -2.004 -7.391 -12.079
62 HB3 MET 9 3HB MET 9 -1.107 -6.080 -11.323
63 HG2 MET 9 2HG MET 9 -2.908 -6.408 -9.427
64 HG3 MET 9 3HG MET 9 -3.005 -8.021 -10.128
65 HE1 MET 9 3HE MET 9 -1.143 -9.891 -9.802
66 HE2 MET 9 1HE MET 9 -0.381 -8.899 -11.046
67 HE3 MET 9 2HE MET 9 0.554 -9.436 -9.651
68 H LEU 10 H LEU 10 -4.816 -6.103 -10.071
69 HA LEU 10 HA LEU 10 -6.416 -7.934 -11.596
70 HB2 LEU 10 2HB LEU 10 -6.323 -6.938 -8.827
71 HB3 LEU 10 3HB LEU 10 -7.921 -7.398 -9.412
72 HG LEU 10 HG LEU 10 -6.949 -9.252 -8.239
73 HD11 LEU 10 1HD1 LEU 10 -7.840 -9.349 -10.890
74 HD12 LEU 10 2HD1 LEU 10 -7.823 -10.661 -9.712
75 HD13 LEU 10 3HD1 LEU 10 -6.458 -10.441 -10.806
76 HD21 LEU 10 3HD2 LEU 10 -4.583 -8.520 -8.539
77 HD22 LEU 10 1HD2 LEU 10 -4.649 -9.153 -10.184
78 HD23 LEU 10 2HD2 LEU 10 -4.848 -10.243 -8.811
79 H ALA 11 H ALA 11 -8.047 -7.447 -12.897
80 HA ALA 11 HA ALA 11 -8.973 -4.728 -13.129
81 HB1 ALA 11 1HB ALA 11 -9.295 -7.233 -14.675
82 HB2 ALA 11 2HB ALA 11 -10.566 -6.020 -14.831
83 HB3 ALA 11 3HB ALA 11 -8.897 -5.604 -15.221
84 H ALA 12 H ALA 12 -9.998 -7.591 -11.523
85 HA ALA 12 HA ALA 12 -12.770 -6.814 -11.302
86 HB1 ALA 12 1HB ALA 12 -11.357 -8.939 -9.708
87 HB2 ALA 12 2HB ALA 12 -13.081 -8.805 -10.056
88 HB3 ALA 12 3HB ALA 12 -11.948 -9.196 -11.350
89 H ARG 13 H ARG 13 -9.851 -6.207 -9.600
90 HA ARG 13 HA ARG 13 -11.014 -5.662 -7.046
91 HB2 ARG 13 2HB ARG 13 -8.361 -5.584 -8.257
92 HB3 ARG 13 3HB ARG 13 -8.635 -4.248 -7.147
93 HG2 ARG 13 2HG ARG 13 -9.076 -7.142 -6.452
94 HG3 ARG 13 3HG ARG 13 -7.598 -6.244 -6.102
95 HD2 ARG 13 2HD ARG 13 -9.200 -4.563 -4.943
96 HD3 ARG 13 3HD ARG 13 -10.337 -5.911 -4.945
97 HE ARG 13 HE ARG 13 -9.072 -6.952 -3.331
98 HH11 ARG 13 1HH1 ARG 13 -7.317 -4.245 -4.640
99 HH12 ARG 13 2HH1 ARG 13 -6.075 -4.300 -3.433
100 HH21 ARG 13 1HH2 ARG 13 -7.442 -7.034 -1.737
101 HH22 ARG 13 2HH2 ARG 13 -6.147 -5.887 -1.783
102 H LYS 14 H LYS 14 -10.108 -3.720 -9.851
103 HA LYS 14 HA LYS 14 -10.494 -1.181 -8.736
104 HB2 LYS 14 2HB LYS 14 -10.888 -2.100 -11.590
105 HB3 LYS 14 3HB LYS 14 -10.798 -0.420 -11.080
106 HG2 LYS 14 2HG LYS 14 -8.523 -0.673 -10.404
107 HG3 LYS 14 3HG LYS 14 -8.591 -2.419 -10.650
108 HD2 LYS 14 2HD LYS 14 -8.219 -2.229 -12.852
109 HD3 LYS 14 3HD LYS 14 -9.353 -0.886 -13.015
110 HE2 LYS 14 2HE LYS 14 -7.412 0.203 -13.508
111 HE3 LYS 14 3HE LYS 14 -7.424 0.417 -11.758
112 HZ1 LYS 14 3HZ LYS 14 -5.277 -0.313 -12.318
113 HZ2 LYS 14 1HZ LYS 14 -5.853 -1.533 -13.339
114 HZ3 LYS 14 2HZ LYS 14 -6.047 -1.670 -11.664
115 H LYS 15 H LYS 15 -12.294 -0.669 -7.650
116 HA LYS 15 HA LYS 15 -14.891 -1.616 -8.487
117 HB2 LYS 15 2HB LYS 15 -13.960 0.152 -6.228
118 HB3 LYS 15 3HB LYS 15 -15.662 -0.167 -6.537
119 HG2 LYS 15 2HG LYS 15 -15.565 -2.186 -5.601
120 HG3 LYS 15 3HG LYS 15 -14.052 -2.590 -6.415
121 HD2 LYS 15 2HD LYS 15 -13.668 -2.580 -4.043
122 HD3 LYS 15 3HD LYS 15 -12.851 -1.183 -4.750
123 HE2 LYS 15 2HE LYS 15 -15.547 -0.505 -4.010
124 HE3 LYS 15 3HE LYS 15 -14.693 -1.206 -2.636
125 HZ1 LYS 15 3HZ LYS 15 -12.835 0.424 -3.344
126 HZ2 LYS 15 1HZ LYS 15 -14.162 1.011 -2.473
127 HZ3 LYS 15 2HZ LYS 15 -14.079 1.244 -4.146
128 H ARG 16 H ARG 16 -14.240 1.681 -7.423
129 HA ARG 16 HA ARG 16 -15.932 2.705 -9.533
130 HB2 ARG 16 2HB ARG 16 -15.887 3.513 -7.099
131 HB3 ARG 16 3HB ARG 16 -14.402 4.352 -7.529
132 HG2 ARG 16 2HG ARG 16 -16.288 5.856 -7.653
133 HG3 ARG 16 3HG ARG 16 -15.615 5.590 -9.262
134 HD2 ARG 16 2HD ARG 16 -18.132 5.552 -9.100
135 HD3 ARG 16 3HD ARG 16 -17.389 4.151 -9.869
136 HE ARG 16 HE ARG 16 -18.256 2.853 -8.209
137 HH11 ARG 16 1HH1 ARG 16 -18.152 6.152 -7.100
138 HH12 ARG 16 2HH1 ARG 16 -18.975 5.815 -5.613
139 HH21 ARG 16 1HH2 ARG 16 -19.341 2.398 -6.255
140 HH22 ARG 16 2HH2 ARG 16 -19.651 3.679 -5.133
141 H ILE 17 H ILE 17 -12.568 2.331 -8.918
142 HA ILE 17 HA ILE 17 -11.581 4.416 -10.563
143 HB ILE 17 HB ILE 17 -9.498 2.898 -10.659
144 HG12 ILE 17 2HG1 ILE 17 -11.258 0.996 -9.750
145 HG13 ILE 17 3HG1 ILE 17 -9.504 0.889 -9.636
146 HG21 ILE 17 1HG2 ILE 17 -8.954 3.439 -8.277
147 HG22 ILE 17 2HG2 ILE 17 -9.566 4.796 -9.220
148 HG23 ILE 17 3HG2 ILE 17 -10.625 3.966 -8.080
149 HD11 ILE 17 3HD1 ILE 17 -10.704 0.383 -7.527
150 HD12 ILE 17 1HD1 ILE 17 -9.538 1.699 -7.393
151 HD13 ILE 17 2HD1 ILE 17 -11.262 2.056 -7.496
152 H SER 18 H SER 18 -12.488 1.070 -11.176
153 HA SER 18 HA SER 18 -11.417 0.792 -13.744
154 HB2 SER 18 2HB SER 18 -13.188 -0.681 -12.037
155 HB3 SER 18 3HB SER 18 -13.867 -0.636 -13.664
156 HG SER 18 HG SER 18 -12.289 -1.856 -14.360
157 H VAL 19 H VAL 19 -14.796 1.543 -12.872
158 HA VAL 19 HA VAL 19 -15.653 2.153 -15.466
159 HB VAL 19 HB VAL 19 -17.258 1.732 -13.708
160 HG11 VAL 19 1HG1 VAL 19 -17.634 3.235 -11.868
161 HG12 VAL 19 2HG1 VAL 19 -15.934 2.760 -11.876
162 HG13 VAL 19 3HG1 VAL 19 -16.409 4.350 -12.475
163 HG21 VAL 19 3HG2 VAL 19 -18.793 3.029 -14.685
164 HG22 VAL 19 1HG2 VAL 19 -18.016 4.510 -14.123
165 HG23 VAL 19 2HG2 VAL 19 -17.459 3.727 -15.602
166 H LYS 20 H LYS 20 -14.254 4.193 -12.946
167 HA LYS 20 HA LYS 20 -14.669 6.684 -14.154
168 HB2 LYS 20 2HB LYS 20 -13.982 6.574 -11.858
169 HB3 LYS 20 3HB LYS 20 -12.505 5.719 -12.283
170 HG2 LYS 20 2HG LYS 20 -11.593 7.666 -13.322
171 HG3 LYS 20 3HG LYS 20 -13.123 8.531 -13.157
172 HD2 LYS 20 2HD LYS 20 -11.990 9.380 -11.358
173 HD3 LYS 20 3HD LYS 20 -12.760 7.983 -10.601
174 HE2 LYS 20 2HE LYS 20 -10.542 7.860 -9.886
175 HE3 LYS 20 3HE LYS 20 -10.620 6.714 -11.223
176 HZ1 LYS 20 3HZ LYS 20 -9.702 8.447 -12.672
177 HZ2 LYS 20 1HZ LYS 20 -8.651 8.058 -11.405
178 HZ3 LYS 20 2HZ LYS 20 -9.558 9.484 -11.344
179 H LYS 21 H LYS 21 -12.051 4.340 -14.513
180 HA LYS 21 HA LYS 21 -10.553 6.030 -16.302
181 HB2 LYS 21 2HB LYS 21 -9.416 4.426 -14.828
182 HB3 LYS 21 3HB LYS 21 -10.231 3.096 -15.640
183 HG2 LYS 21 2HG LYS 21 -8.704 4.903 -17.389
184 HG3 LYS 21 3HG LYS 21 -7.753 3.948 -16.249
185 HD2 LYS 21 2HD LYS 21 -9.270 1.988 -17.117
186 HD3 LYS 21 3HD LYS 21 -9.479 3.050 -18.512
187 HE2 LYS 21 2HE LYS 21 -6.748 2.440 -17.441
188 HE3 LYS 21 3HE LYS 21 -7.561 1.313 -18.526
189 HZ1 LYS 21 3HZ LYS 21 -7.461 2.775 -20.269
190 HZ2 LYS 21 1HZ LYS 21 -6.019 3.158 -19.471
191 HZ3 LYS 21 2HZ LYS 21 -7.378 4.145 -19.281
192 H LYS 22 H LYS 22 -13.110 3.764 -16.577
193 HA LYS 22 HA LYS 22 -12.616 3.072 -19.330
194 HB2 LYS 22 2HB LYS 22 -14.753 2.491 -17.327
195 HB3 LYS 22 3HB LYS 22 -15.124 2.277 -19.033
196 HG2 LYS 22 2HG LYS 22 -13.144 0.780 -19.209
197 HG3 LYS 22 3HG LYS 22 -12.956 0.907 -17.458
198 HD2 LYS 22 2HD LYS 22 -15.378 0.112 -17.315
199 HD3 LYS 22 3HD LYS 22 -15.212 -0.328 -19.016
200 HE2 LYS 22 2HE LYS 22 -13.403 -1.828 -18.502
201 HE3 LYS 22 3HE LYS 22 -13.385 -1.297 -16.821
202 HZ1 LYS 22 3HZ LYS 22 -14.572 -3.256 -16.732
203 HZ2 LYS 22 1HZ LYS 22 -15.360 -2.988 -18.205
204 HZ3 LYS 22 2HZ LYS 22 -15.813 -2.111 -16.832
205 H GLN 23 H GLN 23 -14.144 5.637 -17.649
206 HA GLN 23 HA GLN 23 -16.103 6.414 -19.496
207 HB2 GLN 23 2HB GLN 23 -14.502 7.923 -17.447
208 HB3 GLN 23 3HB GLN 23 -15.657 8.747 -18.486
209 HG2 GLN 23 2HG GLN 23 -16.425 6.380 -16.814
210 HG3 GLN 23 3HG GLN 23 -16.454 8.027 -16.187
211 HE21 GLN 23 1HE2 GLN 23 -18.729 6.497 -16.277
212 HE22 GLN 23 2HE2 GLN 23 -19.817 7.147 -17.450
213 H GLU 24 H GLU 24 -13.089 8.232 -18.995
214 HA GLU 24 HA GLU 24 -13.173 9.314 -21.631
215 HB2 GLU 24 2HB GLU 24 -12.159 10.399 -19.564
216 HB3 GLU 24 3HB GLU 24 -10.791 9.317 -19.782
217 HG2 GLU 24 2HG GLU 24 -10.456 11.587 -20.719
218 HG3 GLU 24 3HG GLU 24 -10.261 10.285 -21.891
219 H GLN 25 H GLN 25 -11.975 8.816 -23.423
220 HA GLN 25 HA GLN 25 -11.199 6.145 -23.805
221 HB2 GLN 25 2HB GLN 25 -11.009 8.659 -25.375
222 HB3 GLN 25 3HB GLN 25 -9.958 7.335 -25.858
223 HG2 GLN 25 2HG GLN 25 -12.021 7.314 -27.126
224 HG3 GLN 25 3HG GLN 25 -11.893 5.878 -26.111
225 HE21 GLN 25 1HE2 GLN 25 -13.368 5.532 -24.520
226 HE22 GLN 25 2HE2 GLN 25 -14.757 6.527 -24.266
227 HA PRO 26 HA PRO 26 -7.021 5.893 -22.495
228 HB2 PRO 26 2HB PRO 26 -5.882 4.385 -24.445
229 HB3 PRO 26 3HB PRO 26 -7.011 3.725 -23.255
230 HG2 PRO 26 2HG PRO 26 -7.519 4.574 -26.080
231 HG3 PRO 26 3HG PRO 26 -8.105 3.137 -25.221
232 HD2 PRO 26 2HD PRO 26 -9.640 5.336 -25.598
233 HD3 PRO 26 3HD PRO 26 -9.789 4.302 -24.162
Start of MODEL 15
1 H1 VAL 1 H VAL 1 2.789 0.649 -0.253
2 HA VAL 1 HA VAL 1 2.444 1.057 -3.021
3 HB VAL 1 HB VAL 1 4.574 1.481 -1.859
4 HG11 VAL 1 1HG1 VAL 1 4.970 -1.503 -1.830
5 HG12 VAL 1 2HG1 VAL 1 6.013 -0.263 -1.132
6 HG13 VAL 1 3HG1 VAL 1 4.428 -0.583 -0.427
7 HG21 VAL 1 3HG2 VAL 1 4.301 0.858 -4.377
8 HG22 VAL 1 1HG2 VAL 1 5.913 0.978 -3.671
9 HG23 VAL 1 2HG2 VAL 1 5.173 -0.604 -3.915
10 H SER 2 H SER 2 2.344 -1.793 -1.035
11 HA SER 2 HA SER 2 2.627 -3.639 -3.228
12 HB2 SER 2 2HB SER 2 1.738 -4.087 -0.369
13 HB3 SER 2 3HB SER 2 2.081 -5.363 -1.536
14 HG SER 2 HG SER 2 4.228 -4.275 -1.689
15 H VAL 3 H VAL 3 0.080 -1.855 -1.800
16 HA VAL 3 HA VAL 3 -2.037 -3.627 -2.652
17 HB VAL 3 HB VAL 3 -2.284 -0.765 -1.725
18 HG11 VAL 3 1HG1 VAL 3 -4.270 -1.583 -2.826
19 HG12 VAL 3 2HG1 VAL 3 -4.254 -3.046 -1.840
20 HG13 VAL 3 3HG1 VAL 3 -4.564 -1.480 -1.090
21 HG21 VAL 3 3HG2 VAL 3 -2.855 -1.848 0.492
22 HG22 VAL 3 1HG2 VAL 3 -2.148 -3.328 -0.156
23 HG23 VAL 3 2HG2 VAL 3 -1.154 -1.883 0.026
24 H ASP 4 H ASP 4 -0.235 -1.012 -3.980
25 HA ASP 4 HA ASP 4 -2.059 0.029 -5.827
26 HB2 ASP 4 2HB ASP 4 0.719 0.292 -5.267
27 HB3 ASP 4 3HB ASP 4 0.546 0.002 -6.996
28 HA PRO 5 HA PRO 5 -0.338 -3.246 -8.957
29 HB2 PRO 5 2HB PRO 5 1.002 -5.354 -7.893
30 HB3 PRO 5 3HB PRO 5 1.804 -3.862 -8.400
31 HG2 PRO 5 2HG PRO 5 0.981 -4.733 -5.657
32 HG3 PRO 5 3HG PRO 5 2.486 -3.955 -6.179
33 HD2 PRO 5 2HD PRO 5 0.473 -2.585 -4.994
34 HD3 PRO 5 3HD PRO 5 1.537 -1.855 -6.214
35 H PHE 6 H PHE 6 -1.399 -4.289 -5.771
36 HA PHE 6 HA PHE 6 -2.564 -6.735 -6.457
37 HB2 PHE 6 2HB PHE 6 -2.180 -5.749 -4.127
38 HB3 PHE 6 3HB PHE 6 -3.686 -4.870 -4.371
39 HD1 PHE 6 HD1 PHE 6 -2.212 -8.256 -4.173
40 HD2 PHE 6 HD2 PHE 6 -5.763 -5.912 -4.046
41 HE1 PHE 6 HE1 PHE 6 -3.475 -10.217 -3.391
42 HE2 PHE 6 HE2 PHE 6 -7.031 -7.870 -3.264
43 HZ PHE 6 HZ PHE 6 -5.888 -10.026 -2.934
44 H TYR 7 H TYR 7 -4.219 -3.606 -6.007
45 HA TYR 7 HA TYR 7 -6.651 -4.520 -7.162
46 HB2 TYR 7 2HB TYR 7 -7.500 -2.485 -6.579
47 HB3 TYR 7 3HB TYR 7 -6.057 -2.446 -5.573
48 HD1 TYR 7 HD2 TYR 7 -4.167 -1.021 -6.160
49 HD2 TYR 7 HD1 TYR 7 -7.691 -1.081 -8.545
50 HE1 TYR 7 HE2 TYR 7 -3.446 1.053 -7.268
51 HE2 TYR 7 HE1 TYR 7 -6.978 0.992 -9.660
52 HH TYR 7 HH TYR 7 -5.539 2.822 -9.399
53 H GLU 8 H GLU 8 -3.717 -3.330 -8.468
54 HA GLU 8 HA GLU 8 -4.780 -2.304 -10.917
55 HB2 GLU 8 2HB GLU 8 -2.115 -2.749 -9.746
56 HB3 GLU 8 3HB GLU 8 -2.181 -2.893 -11.497
57 HG2 GLU 8 2HG GLU 8 -3.213 -0.521 -9.964
58 HG3 GLU 8 3HG GLU 8 -1.598 -0.625 -10.663
59 H MET 9 H MET 9 -3.333 -5.371 -9.908
60 HA MET 9 HA MET 9 -3.550 -6.520 -12.542
61 HB2 MET 9 2HB MET 9 -2.667 -8.532 -11.547
62 HB3 MET 9 3HB MET 9 -1.752 -7.155 -10.946
63 HG2 MET 9 2HG MET 9 -3.072 -7.203 -8.877
64 HG3 MET 9 3HG MET 9 -3.936 -8.615 -9.480
65 HE1 MET 9 3HE MET 9 -0.153 -7.466 -9.454
66 HE2 MET 9 1HE MET 9 -0.737 -7.238 -7.805
67 HE3 MET 9 2HE MET 9 0.468 -8.479 -8.150
68 H LEU 10 H LEU 10 -5.316 -6.700 -9.495
69 HA LEU 10 HA LEU 10 -7.112 -8.743 -10.389
70 HB2 LEU 10 2HB LEU 10 -6.719 -7.118 -7.982
71 HB3 LEU 10 3HB LEU 10 -8.401 -7.524 -8.317
72 HG LEU 10 HG LEU 10 -7.469 -9.130 -6.784
73 HD11 LEU 10 1HD1 LEU 10 -8.782 -9.747 -9.113
74 HD12 LEU 10 2HD1 LEU 10 -8.532 -10.836 -7.750
75 HD13 LEU 10 3HD1 LEU 10 -7.422 -10.869 -9.119
76 HD21 LEU 10 3HD2 LEU 10 -5.097 -8.784 -7.494
77 HD22 LEU 10 1HD2 LEU 10 -5.428 -9.806 -8.893
78 HD23 LEU 10 2HD2 LEU 10 -5.555 -10.473 -7.265
79 H ALA 11 H ALA 11 -8.961 -8.548 -11.487
80 HA ALA 11 HA ALA 11 -9.726 -5.961 -12.504
81 HB1 ALA 11 1HB ALA 11 -10.010 -8.642 -13.345
82 HB2 ALA 11 2HB ALA 11 -11.633 -7.972 -13.175
83 HB3 ALA 11 3HB ALA 11 -10.452 -7.173 -14.214
84 H ALA 12 H ALA 12 -11.072 -8.368 -10.296
85 HA ALA 12 HA ALA 12 -13.550 -7.019 -9.900
86 HB1 ALA 12 1HB ALA 12 -13.691 -9.260 -9.384
87 HB2 ALA 12 2HB ALA 12 -12.137 -9.275 -8.548
88 HB3 ALA 12 3HB ALA 12 -13.544 -8.537 -7.781
89 H ARG 13 H ARG 13 -10.379 -6.585 -8.663
90 HA ARG 13 HA ARG 13 -11.088 -5.351 -6.190
91 HB2 ARG 13 2HB ARG 13 -8.586 -5.602 -7.806
92 HB3 ARG 13 3HB ARG 13 -8.647 -4.408 -6.516
93 HG2 ARG 13 2HG ARG 13 -9.502 -7.180 -5.889
94 HG3 ARG 13 3HG ARG 13 -7.780 -6.864 -6.107
95 HD2 ARG 13 2HD ARG 13 -8.545 -6.677 -3.750
96 HD3 ARG 13 3HD ARG 13 -7.802 -5.207 -4.376
97 HE ARG 13 HE ARG 13 -10.651 -5.612 -3.817
98 HH11 ARG 13 1HH1 ARG 13 -8.027 -3.525 -4.757
99 HH12 ARG 13 2HH1 ARG 13 -8.934 -2.066 -4.533
100 HH21 ARG 13 1HH2 ARG 13 -11.856 -3.698 -3.519
101 HH22 ARG 13 2HH2 ARG 13 -11.112 -2.166 -3.828
102 H LYS 14 H LYS 14 -10.350 -4.174 -9.435
103 HA LYS 14 HA LYS 14 -10.317 -1.422 -8.807
104 HB2 LYS 14 2HB LYS 14 -10.972 -2.807 -11.414
105 HB3 LYS 14 3HB LYS 14 -10.656 -1.086 -11.241
106 HG2 LYS 14 2HG LYS 14 -8.391 -1.521 -10.553
107 HG3 LYS 14 3HG LYS 14 -8.690 -3.261 -10.555
108 HD2 LYS 14 2HD LYS 14 -7.563 -2.787 -12.580
109 HD3 LYS 14 3HD LYS 14 -9.257 -3.027 -13.011
110 HE2 LYS 14 2HE LYS 14 -8.795 -1.118 -14.189
111 HE3 LYS 14 3HE LYS 14 -9.376 -0.425 -12.676
112 HZ1 LYS 14 3HZ LYS 14 -7.355 0.660 -13.393
113 HZ2 LYS 14 1HZ LYS 14 -6.531 -0.817 -13.432
114 HZ3 LYS 14 2HZ LYS 14 -7.070 -0.188 -11.958
115 H LYS 15 H LYS 15 -11.997 -0.550 -7.743
116 HA LYS 15 HA LYS 15 -14.722 -1.299 -8.338
117 HB2 LYS 15 2HB LYS 15 -13.662 0.870 -6.517
118 HB3 LYS 15 3HB LYS 15 -15.321 0.287 -6.571
119 HG2 LYS 15 2HG LYS 15 -14.862 -1.426 -5.231
120 HG3 LYS 15 3HG LYS 15 -13.419 -1.861 -6.149
121 HD2 LYS 15 2HD LYS 15 -13.571 0.363 -4.114
122 HD3 LYS 15 3HD LYS 15 -12.926 -1.251 -3.802
123 HE2 LYS 15 2HE LYS 15 -11.310 -0.834 -5.697
124 HE3 LYS 15 3HE LYS 15 -11.852 0.843 -5.681
125 HZ1 LYS 15 3HZ LYS 15 -9.786 0.106 -4.303
126 HZ2 LYS 15 1HZ LYS 15 -10.946 -0.374 -3.170
127 HZ3 LYS 15 2HZ LYS 15 -10.871 1.239 -3.671
128 H ARG 16 H ARG 16 -13.435 1.988 -7.976
129 HA ARG 16 HA ARG 16 -15.237 2.947 -10.016
130 HB2 ARG 16 2HB ARG 16 -13.106 4.449 -8.486
131 HB3 ARG 16 3HB ARG 16 -14.407 5.159 -9.433
132 HG2 ARG 16 2HG ARG 16 -14.828 3.440 -6.999
133 HG3 ARG 16 3HG ARG 16 -14.792 5.204 -6.985
134 HD2 ARG 16 2HD ARG 16 -16.610 4.959 -8.848
135 HD3 ARG 16 3HD ARG 16 -16.821 3.352 -8.154
136 HE ARG 16 HE ARG 16 -17.822 4.307 -6.329
137 HH11 ARG 16 1HH1 ARG 16 -16.173 6.770 -8.154
138 HH12 ARG 16 2HH1 ARG 16 -16.835 8.080 -7.234
139 HH21 ARG 16 1HH2 ARG 16 -18.701 6.023 -5.109
140 HH22 ARG 16 2HH2 ARG 16 -18.273 7.654 -5.502
141 H ILE 17 H ILE 17 -11.762 2.477 -9.636
142 HA ILE 17 HA ILE 17 -10.873 3.773 -11.935
143 HB ILE 17 HB ILE 17 -8.992 2.016 -11.864
144 HG12 ILE 17 2HG1 ILE 17 -10.775 0.652 -10.286
145 HG13 ILE 17 3HG1 ILE 17 -9.043 0.346 -10.350
146 HG21 ILE 17 1HG2 ILE 17 -9.612 3.834 -9.545
147 HG22 ILE 17 2HG2 ILE 17 -8.050 3.054 -9.789
148 HG23 ILE 17 3HG2 ILE 17 -8.656 4.204 -10.980
149 HD11 ILE 17 3HD1 ILE 17 -8.658 1.635 -8.403
150 HD12 ILE 17 1HD1 ILE 17 -10.304 2.268 -8.419
151 HD13 ILE 17 2HD1 ILE 17 -10.017 0.565 -8.059
152 H SER 18 H SER 18 -12.231 0.559 -11.507
153 HA SER 18 HA SER 18 -11.582 -0.539 -13.992
154 HB2 SER 18 2HB SER 18 -12.444 -2.121 -12.547
155 HB3 SER 18 3HB SER 18 -13.717 -1.050 -11.963
156 HG SER 18 HG SER 18 -14.967 -1.618 -13.592
157 H VAL 19 H VAL 19 -14.738 0.837 -13.048
158 HA VAL 19 HA VAL 19 -15.801 0.933 -15.634
159 HB VAL 19 HB VAL 19 -17.245 1.121 -13.706
160 HG11 VAL 19 1HG1 VAL 19 -16.017 3.830 -13.206
161 HG12 VAL 19 2HG1 VAL 19 -17.275 3.039 -12.253
162 HG13 VAL 19 3HG1 VAL 19 -15.641 2.374 -12.284
163 HG21 VAL 19 3HG2 VAL 19 -17.433 2.665 -15.996
164 HG22 VAL 19 1HG2 VAL 19 -18.735 2.314 -14.858
165 HG23 VAL 19 2HG2 VAL 19 -17.792 3.795 -14.691
166 H LYS 20 H LYS 20 -13.952 3.316 -13.799
167 HA LYS 20 HA LYS 20 -14.250 5.480 -15.566
168 HB2 LYS 20 2HB LYS 20 -12.192 4.748 -13.506
169 HB3 LYS 20 3HB LYS 20 -11.967 6.165 -14.523
170 HG2 LYS 20 2HG LYS 20 -13.920 7.198 -13.669
171 HG3 LYS 20 3HG LYS 20 -14.433 5.713 -12.865
172 HD2 LYS 20 2HD LYS 20 -12.866 5.928 -11.182
173 HD3 LYS 20 3HD LYS 20 -11.799 6.936 -12.163
174 HE2 LYS 20 2HE LYS 20 -13.171 8.834 -11.881
175 HE3 LYS 20 3HE LYS 20 -14.510 7.870 -11.259
176 HZ1 LYS 20 3HZ LYS 20 -12.260 7.461 -9.630
177 HZ2 LYS 20 1HZ LYS 20 -13.744 8.164 -9.220
178 HZ3 LYS 20 2HZ LYS 20 -12.486 9.127 -9.812
179 H LYS 21 H LYS 21 -11.909 2.839 -15.460
180 HA LYS 21 HA LYS 21 -10.176 3.789 -17.460
181 HB2 LYS 21 2HB LYS 21 -10.782 1.075 -16.338
182 HB3 LYS 21 3HB LYS 21 -9.726 1.231 -17.735
183 HG2 LYS 21 2HG LYS 21 -9.254 2.740 -15.182
184 HG3 LYS 21 3HG LYS 21 -8.609 1.122 -15.470
185 HD2 LYS 21 2HD LYS 21 -8.144 3.138 -17.587
186 HD3 LYS 21 3HD LYS 21 -7.268 3.363 -16.071
187 HE2 LYS 21 2HE LYS 21 -7.309 0.710 -17.469
188 HE3 LYS 21 3HE LYS 21 -6.166 1.968 -17.935
189 HZ1 LYS 21 3HZ LYS 21 -5.471 2.025 -15.551
190 HZ2 LYS 21 1HZ LYS 21 -5.096 0.588 -16.360
191 HZ3 LYS 21 2HZ LYS 21 -6.408 0.641 -15.295
192 H LYS 22 H LYS 22 -13.031 1.695 -17.635
193 HA LYS 22 HA LYS 22 -12.897 1.100 -20.369
194 HB2 LYS 22 2HB LYS 22 -14.366 -0.145 -18.922
195 HB3 LYS 22 3HB LYS 22 -15.268 1.307 -18.509
196 HG2 LYS 22 2HG LYS 22 -16.220 1.442 -20.672
197 HG3 LYS 22 3HG LYS 22 -15.120 0.214 -21.304
198 HD2 LYS 22 2HD LYS 22 -17.003 -1.052 -20.984
199 HD3 LYS 22 3HD LYS 22 -16.220 -1.259 -19.416
200 HE2 LYS 22 2HE LYS 22 -17.605 0.516 -18.480
201 HE3 LYS 22 3HE LYS 22 -18.366 0.764 -20.051
202 HZ1 LYS 22 3HZ LYS 22 -18.666 -1.911 -19.532
203 HZ2 LYS 22 1HZ LYS 22 -19.863 -0.722 -19.407
204 HZ3 LYS 22 2HZ LYS 22 -18.966 -1.165 -18.044
205 H GLN 23 H GLN 23 -13.712 4.005 -18.746
206 HA GLN 23 HA GLN 23 -15.288 5.121 -20.882
207 HB2 GLN 23 2HB GLN 23 -14.008 6.496 -18.514
208 HB3 GLN 23 3HB GLN 23 -15.235 7.182 -19.571
209 HG2 GLN 23 2HG GLN 23 -15.925 4.628 -18.276
210 HG3 GLN 23 3HG GLN 23 -15.770 6.026 -17.213
211 HE21 GLN 23 1HE2 GLN 23 -18.030 5.792 -16.805
212 HE22 GLN 23 2HE2 GLN 23 -19.187 6.410 -17.929
213 H GLU 24 H GLU 24 -14.679 6.895 -22.207
214 HA GLU 24 HA GLU 24 -12.009 6.691 -23.211
215 HB2 GLU 24 2HB GLU 24 -14.181 7.207 -24.511
216 HB3 GLU 24 3HB GLU 24 -13.954 8.859 -23.956
217 HG2 GLU 24 2HG GLU 24 -13.071 8.455 -26.220
218 HG3 GLU 24 3HG GLU 24 -11.846 9.014 -25.082
219 H GLN 25 H GLN 25 -10.357 7.549 -22.132
220 HA GLN 25 HA GLN 25 -10.652 9.818 -20.405
221 HB2 GLN 25 2HB GLN 25 -8.448 7.976 -21.172
222 HB3 GLN 25 3HB GLN 25 -7.996 9.554 -20.541
223 HG2 GLN 25 2HG GLN 25 -9.223 9.139 -18.508
224 HG3 GLN 25 3HG GLN 25 -9.813 7.604 -19.144
225 HE21 GLN 25 1HE2 GLN 25 -7.919 8.627 -16.891
226 HE22 GLN 25 2HE2 GLN 25 -6.604 7.510 -16.973
227 HA PRO 26 HA PRO 26 -9.643 13.139 -23.085
228 HB2 PRO 26 2HB PRO 26 -8.039 14.683 -21.532
229 HB3 PRO 26 3HB PRO 26 -9.779 14.530 -21.262
230 HG2 PRO 26 2HG PRO 26 -7.517 13.145 -19.873
231 HG3 PRO 26 3HG PRO 26 -8.985 13.861 -19.181
232 HD2 PRO 26 2HD PRO 26 -8.718 11.198 -19.596
233 HD3 PRO 26 3HD PRO 26 -10.280 12.032 -19.718
Start of MODEL 16
1 H1 VAL 1 H VAL 1 1.769 0.575 0.800
2 HA VAL 1 HA VAL 1 1.823 1.175 -1.983
3 HB VAL 1 HB VAL 1 3.751 1.607 -0.517
4 HG11 VAL 1 1HG1 VAL 1 4.668 -1.185 -0.540
5 HG12 VAL 1 2HG1 VAL 1 4.805 0.047 0.716
6 HG13 VAL 1 3HG1 VAL 1 3.300 -0.853 0.523
7 HG21 VAL 1 3HG2 VAL 1 4.787 -0.392 -2.455
8 HG22 VAL 1 1HG2 VAL 1 3.830 0.951 -3.081
9 HG23 VAL 1 2HG2 VAL 1 5.299 1.270 -2.159
10 H SER 2 H SER 2 1.562 -1.756 -0.119
11 HA SER 2 HA SER 2 2.180 -3.502 -2.326
12 HB2 SER 2 2HB SER 2 2.660 -4.196 -0.020
13 HB3 SER 2 3HB SER 2 0.943 -4.110 0.372
14 HG SER 2 HG SER 2 2.004 -6.233 -0.307
15 H VAL 3 H VAL 3 -0.588 -1.860 -1.161
16 HA VAL 3 HA VAL 3 -2.517 -3.662 -2.332
17 HB VAL 3 HB VAL 3 -4.188 -1.988 -1.705
18 HG11 VAL 3 1HG1 VAL 3 -2.576 -1.973 0.743
19 HG12 VAL 3 2HG1 VAL 3 -4.178 -2.648 0.441
20 HG13 VAL 3 3HG1 VAL 3 -2.736 -3.555 -0.019
21 HG21 VAL 3 3HG2 VAL 3 -1.769 -0.307 -1.317
22 HG22 VAL 3 1HG2 VAL 3 -3.350 0.118 -1.973
23 HG23 VAL 3 2HG2 VAL 3 -3.135 -0.058 -0.231
24 H ASP 4 H ASP 4 -0.663 -0.941 -3.333
25 HA ASP 4 HA ASP 4 -2.282 0.113 -5.355
26 HB2 ASP 4 2HB ASP 4 0.385 0.455 -4.439
27 HB3 ASP 4 3HB ASP 4 0.454 0.205 -6.181
28 HA PRO 5 HA PRO 5 -0.072 -2.980 -8.360
29 HB2 PRO 5 2HB PRO 5 1.206 -5.083 -7.212
30 HB3 PRO 5 3HB PRO 5 2.008 -3.548 -7.563
31 HG2 PRO 5 2HG PRO 5 0.887 -4.552 -4.975
32 HG3 PRO 5 3HG PRO 5 2.415 -3.706 -5.279
33 HD2 PRO 5 2HD PRO 5 0.223 -2.449 -4.306
34 HD3 PRO 5 3HD PRO 5 1.400 -1.638 -5.359
35 H PHE 6 H PHE 6 -1.409 -4.249 -5.352
36 HA PHE 6 HA PHE 6 -2.429 -6.666 -6.328
37 HB2 PHE 6 2HB PHE 6 -2.267 -5.800 -3.896
38 HB3 PHE 6 3HB PHE 6 -3.829 -5.052 -4.212
39 HD1 PHE 6 HD1 PHE 6 -5.803 -6.439 -4.650
40 HD2 PHE 6 HD2 PHE 6 -2.053 -8.154 -3.594
41 HE1 PHE 6 HE1 PHE 6 -6.929 -8.560 -4.111
42 HE2 PHE 6 HE2 PHE 6 -3.173 -10.278 -3.054
43 HZ PHE 6 HZ PHE 6 -5.613 -10.483 -3.312
44 H TYR 7 H TYR 7 -4.103 -3.549 -5.888
45 HA TYR 7 HA TYR 7 -6.446 -4.446 -7.271
46 HB2 TYR 7 2HB TYR 7 -7.400 -2.532 -6.524
47 HB3 TYR 7 3HB TYR 7 -5.979 -2.455 -5.488
48 HD1 TYR 7 HD1 TYR 7 -4.161 -0.897 -5.981
49 HD2 TYR 7 HD2 TYR 7 -7.664 -1.024 -8.393
50 HE1 TYR 7 HE1 TYR 7 -3.556 1.275 -6.963
51 HE2 TYR 7 HE2 TYR 7 -7.067 1.147 -9.384
52 HH TYR 7 HH TYR 7 -5.588 2.796 -9.452
53 H GLU 8 H GLU 8 -3.428 -3.231 -8.242
54 HA GLU 8 HA GLU 8 -4.324 -1.998 -10.688
55 HB2 GLU 8 2HB GLU 8 -1.722 -2.470 -9.347
56 HB3 GLU 8 3HB GLU 8 -1.686 -2.340 -11.100
57 HG2 GLU 8 2HG GLU 8 -2.740 -0.160 -10.986
58 HG3 GLU 8 3HG GLU 8 -2.858 -0.291 -9.232
59 H MET 9 H MET 9 -2.859 -5.069 -9.735
60 HA MET 9 HA MET 9 -2.724 -6.036 -12.446
61 HB2 MET 9 2HB MET 9 -1.981 -8.144 -11.421
62 HB3 MET 9 3HB MET 9 -1.065 -6.769 -10.820
63 HG2 MET 9 2HG MET 9 -2.892 -6.826 -8.921
64 HG3 MET 9 3HG MET 9 -3.015 -8.511 -9.421
65 HE1 MET 9 3HE MET 9 -0.357 -10.342 -8.184
66 HE2 MET 9 1HE MET 9 -1.494 -9.813 -6.944
67 HE3 MET 9 2HE MET 9 -2.059 -10.115 -8.586
68 H LEU 10 H LEU 10 -4.788 -6.557 -9.624
69 HA LEU 10 HA LEU 10 -6.412 -8.530 -10.933
70 HB2 LEU 10 2HB LEU 10 -6.321 -7.210 -8.303
71 HB3 LEU 10 3HB LEU 10 -7.923 -7.706 -8.845
72 HG LEU 10 HG LEU 10 -6.991 -9.422 -7.445
73 HD11 LEU 10 1HD1 LEU 10 -8.013 -9.836 -9.950
74 HD12 LEU 10 2HD1 LEU 10 -7.758 -11.081 -8.727
75 HD13 LEU 10 3HD1 LEU 10 -6.540 -10.806 -9.973
76 HD21 LEU 10 3HD2 LEU 10 -4.610 -8.787 -7.824
77 HD22 LEU 10 1HD2 LEU 10 -4.690 -9.610 -9.382
78 HD23 LEU 10 2HD2 LEU 10 -4.914 -10.523 -7.890
79 H ALA 11 H ALA 11 -8.164 -8.228 -12.156
80 HA ALA 11 HA ALA 11 -8.947 -5.545 -12.861
81 HB1 ALA 11 1HB ALA 11 -9.004 -6.838 -14.738
82 HB2 ALA 11 2HB ALA 11 -9.550 -8.273 -13.869
83 HB3 ALA 11 3HB ALA 11 -10.689 -6.979 -14.237
84 H ALA 12 H ALA 12 -10.367 -8.277 -11.130
85 HA ALA 12 HA ALA 12 -12.937 -7.130 -10.789
86 HB1 ALA 12 1HB ALA 12 -12.838 -8.843 -8.744
87 HB2 ALA 12 2HB ALA 12 -13.076 -9.361 -10.413
88 HB3 ALA 12 3HB ALA 12 -11.474 -9.451 -9.682
89 H ARG 13 H ARG 13 -9.916 -6.596 -9.255
90 HA ARG 13 HA ARG 13 -10.899 -5.664 -6.746
91 HB2 ARG 13 2HB ARG 13 -8.324 -5.927 -8.073
92 HB3 ARG 13 3HB ARG 13 -8.443 -4.427 -7.163
93 HG2 ARG 13 2HG ARG 13 -8.913 -7.196 -6.076
94 HG3 ARG 13 3HG ARG 13 -7.479 -6.201 -5.814
95 HD2 ARG 13 2HD ARG 13 -9.128 -4.460 -4.874
96 HD3 ARG 13 3HD ARG 13 -10.267 -5.802 -4.785
97 HE ARG 13 HE ARG 13 -9.067 -6.677 -3.027
98 HH11 ARG 13 1HH1 ARG 13 -7.266 -4.100 -4.522
99 HH12 ARG 13 2HH1 ARG 13 -6.076 -4.026 -3.264
100 HH21 ARG 13 1HH2 ARG 13 -7.506 -6.590 -1.365
101 HH22 ARG 13 2HH2 ARG 13 -6.213 -5.444 -1.470
102 H LYS 14 H LYS 14 -9.974 -4.095 -9.778
103 HA LYS 14 HA LYS 14 -10.196 -1.435 -8.935
104 HB2 LYS 14 2HB LYS 14 -10.711 -2.617 -11.670
105 HB3 LYS 14 3HB LYS 14 -10.493 -0.904 -11.336
106 HG2 LYS 14 2HG LYS 14 -8.225 -1.250 -10.674
107 HG3 LYS 14 3HG LYS 14 -8.420 -3.003 -10.747
108 HD2 LYS 14 2HD LYS 14 -8.848 -2.823 -13.172
109 HD3 LYS 14 3HD LYS 14 -8.564 -1.083 -13.072
110 HE2 LYS 14 2HE LYS 14 -6.286 -1.593 -12.175
111 HE3 LYS 14 3HE LYS 14 -6.594 -3.295 -12.514
112 HZ1 LYS 14 3HZ LYS 14 -7.171 -1.743 -14.799
113 HZ2 LYS 14 1HZ LYS 14 -6.028 -2.977 -14.616
114 HZ3 LYS 14 2HZ LYS 14 -5.611 -1.378 -14.257
115 H LYS 15 H LYS 15 -11.973 -0.915 -7.753
116 HA LYS 15 HA LYS 15 -14.623 -1.689 -8.595
117 HB2 LYS 15 2HB LYS 15 -13.633 0.068 -6.346
118 HB3 LYS 15 3HB LYS 15 -15.333 -0.283 -6.632
119 HG2 LYS 15 2HG LYS 15 -13.193 -2.306 -6.002
120 HG3 LYS 15 3HG LYS 15 -14.422 -1.705 -4.887
121 HD2 LYS 15 2HD LYS 15 -14.922 -3.258 -7.427
122 HD3 LYS 15 3HD LYS 15 -15.057 -3.880 -5.780
123 HE2 LYS 15 2HE LYS 15 -16.726 -1.697 -7.025
124 HE3 LYS 15 3HE LYS 15 -17.253 -3.337 -6.651
125 HZ1 LYS 15 3HZ LYS 15 -16.673 -1.115 -4.808
126 HZ2 LYS 15 1HZ LYS 15 -16.553 -2.714 -4.266
127 HZ3 LYS 15 2HZ LYS 15 -18.024 -2.132 -4.864
128 H ARG 16 H ARG 16 -13.671 1.556 -7.560
129 HA ARG 16 HA ARG 16 -15.379 2.724 -9.571
130 HB2 ARG 16 2HB ARG 16 -13.764 3.782 -7.279
131 HB3 ARG 16 3HB ARG 16 -14.358 4.888 -8.511
132 HG2 ARG 16 2HG ARG 16 -16.182 2.988 -7.077
133 HG3 ARG 16 3HG ARG 16 -15.777 4.576 -6.423
134 HD2 ARG 16 2HD ARG 16 -16.517 5.499 -8.687
135 HD3 ARG 16 3HD ARG 16 -17.230 3.911 -8.966
136 HE ARG 16 HE ARG 16 -18.930 4.486 -7.558
137 HH11 ARG 16 1HH1 ARG 16 -16.222 6.589 -6.955
138 HH12 ARG 16 2HH1 ARG 16 -17.085 7.596 -5.840
139 HH21 ARG 16 1HH2 ARG 16 -20.077 5.804 -6.092
140 HH22 ARG 16 2HH2 ARG 16 -19.278 7.148 -5.349
141 H ILE 17 H ILE 17 -12.045 1.977 -9.229
142 HA ILE 17 HA ILE 17 -11.028 3.926 -11.052
143 HB ILE 17 HB ILE 17 -9.042 2.283 -11.142
144 HG12 ILE 17 2HG1 ILE 17 -10.818 0.551 -10.007
145 HG13 ILE 17 3HG1 ILE 17 -9.068 0.385 -9.914
146 HG21 ILE 17 1HG2 ILE 17 -8.892 4.285 -9.872
147 HG22 ILE 17 2HG2 ILE 17 -9.951 3.644 -8.617
148 HG23 ILE 17 3HG2 ILE 17 -8.333 2.976 -8.832
149 HD11 ILE 17 3HD1 ILE 17 -10.334 0.142 -7.754
150 HD12 ILE 17 1HD1 ILE 17 -9.002 1.297 -7.745
151 HD13 ILE 17 2HD1 ILE 17 -10.666 1.871 -7.855
152 H SER 18 H SER 18 -12.185 0.618 -11.329
153 HA SER 18 HA SER 18 -11.282 0.044 -13.911
154 HB2 SER 18 2HB SER 18 -12.124 -1.816 -12.804
155 HB3 SER 18 3HB SER 18 -13.547 -0.954 -12.221
156 HG SER 18 HG SER 18 -13.143 -1.456 -14.970
157 H VAL 19 H VAL 19 -14.502 1.215 -12.914
158 HA VAL 19 HA VAL 19 -15.460 1.652 -15.525
159 HB VAL 19 HB VAL 19 -16.933 1.488 -13.553
160 HG11 VAL 19 1HG1 VAL 19 -17.082 3.109 -11.897
161 HG12 VAL 19 2HG1 VAL 19 -15.343 2.990 -12.173
162 HG13 VAL 19 3HG1 VAL 19 -16.259 4.325 -12.873
163 HG21 VAL 19 3HG2 VAL 19 -17.079 3.795 -15.432
164 HG22 VAL 19 1HG2 VAL 19 -18.106 2.367 -15.316
165 HG23 VAL 19 2HG2 VAL 19 -18.275 3.673 -14.143
166 H LYS 20 H LYS 20 -13.758 3.741 -13.250
167 HA LYS 20 HA LYS 20 -14.026 6.117 -14.799
168 HB2 LYS 20 2HB LYS 20 -13.545 6.023 -12.330
169 HB3 LYS 20 3HB LYS 20 -11.912 5.505 -12.729
170 HG2 LYS 20 2HG LYS 20 -11.342 7.565 -13.632
171 HG3 LYS 20 3HG LYS 20 -13.027 8.039 -13.861
172 HD2 LYS 20 2HD LYS 20 -13.334 8.403 -11.540
173 HD3 LYS 20 3HD LYS 20 -11.811 7.604 -11.142
174 HE2 LYS 20 2HE LYS 20 -11.957 10.107 -12.805
175 HE3 LYS 20 3HE LYS 20 -11.820 10.138 -11.048
176 HZ1 LYS 20 3HZ LYS 20 -9.853 8.432 -11.791
177 HZ2 LYS 20 1HZ LYS 20 -9.638 10.068 -11.417
178 HZ3 LYS 20 2HZ LYS 20 -9.815 9.585 -13.029
179 H LYS 21 H LYS 21 -12.048 3.357 -15.056
180 HA LYS 21 HA LYS 21 -9.863 4.659 -16.421
181 HB2 LYS 21 2HB LYS 21 -9.517 2.621 -15.061
182 HB3 LYS 21 3HB LYS 21 -10.524 1.717 -16.184
183 HG2 LYS 21 2HG LYS 21 -8.303 3.155 -17.440
184 HG3 LYS 21 3HG LYS 21 -7.819 1.889 -16.308
185 HD2 LYS 21 2HD LYS 21 -8.625 0.225 -17.619
186 HD3 LYS 21 3HD LYS 21 -9.976 1.197 -18.207
187 HE2 LYS 21 2HE LYS 21 -8.573 2.340 -19.759
188 HE3 LYS 21 3HE LYS 21 -7.119 1.640 -19.050
189 HZ1 LYS 21 3HZ LYS 21 -8.168 -0.582 -19.717
190 HZ2 LYS 21 1HZ LYS 21 -7.481 0.370 -20.935
191 HZ3 LYS 21 2HZ LYS 21 -9.160 0.337 -20.735
192 H LYS 22 H LYS 22 -12.545 2.513 -17.328
193 HA LYS 22 HA LYS 22 -11.930 2.626 -20.123
194 HB2 LYS 22 2HB LYS 22 -14.087 1.454 -20.407
195 HB3 LYS 22 3HB LYS 22 -13.054 0.678 -19.213
196 HG2 LYS 22 2HG LYS 22 -14.914 0.651 -17.970
197 HG3 LYS 22 3HG LYS 22 -14.497 2.333 -17.632
198 HD2 LYS 22 2HD LYS 22 -15.880 2.931 -19.677
199 HD3 LYS 22 3HD LYS 22 -16.473 1.269 -19.638
200 HE2 LYS 22 2HE LYS 22 -16.585 2.867 -17.132
201 HE3 LYS 22 3HE LYS 22 -17.746 3.235 -18.406
202 HZ1 LYS 22 3HZ LYS 22 -17.576 0.923 -16.674
203 HZ2 LYS 22 1HZ LYS 22 -17.905 0.568 -18.295
204 HZ3 LYS 22 2HZ LYS 22 -18.921 1.611 -17.435
205 H GLN 23 H GLN 23 -14.282 4.197 -17.998
206 HA GLN 23 HA GLN 23 -15.697 5.562 -20.021
207 HB2 GLN 23 2HB GLN 23 -16.813 6.662 -18.311
208 HB3 GLN 23 3HB GLN 23 -16.288 5.184 -17.516
209 HG2 GLN 23 2HG GLN 23 -15.545 6.565 -15.929
210 HG3 GLN 23 3HG GLN 23 -14.181 6.808 -17.019
211 HE21 GLN 23 1HE2 GLN 23 -17.051 8.176 -15.668
212 HE22 GLN 23 2HE2 GLN 23 -16.824 9.780 -16.268
213 H GLU 24 H GLU 24 -12.574 6.007 -18.790
214 HA GLU 24 HA GLU 24 -12.410 8.845 -19.240
215 HB2 GLU 24 2HB GLU 24 -11.000 7.791 -17.549
216 HB3 GLU 24 3HB GLU 24 -10.250 6.782 -18.778
217 HG2 GLU 24 2HG GLU 24 -9.805 9.262 -19.785
218 HG3 GLU 24 3HG GLU 24 -9.733 9.569 -18.051
219 H GLN 25 H GLN 25 -12.020 9.840 -21.103
220 HA GLN 25 HA GLN 25 -11.830 8.433 -23.542
221 HB2 GLN 25 2HB GLN 25 -11.653 11.296 -22.725
222 HB3 GLN 25 3HB GLN 25 -11.101 10.853 -24.335
223 HG2 GLN 25 2HG GLN 25 -13.846 10.407 -23.187
224 HG3 GLN 25 3HG GLN 25 -13.392 11.579 -24.423
225 HE21 GLN 25 1HE2 GLN 25 -14.189 8.310 -23.742
226 HE22 GLN 25 2HE2 GLN 25 -14.172 7.734 -25.370
227 HA PRO 26 HA PRO 26 -7.537 7.783 -24.156
228 HB2 PRO 26 2HB PRO 26 -7.230 8.351 -26.793
229 HB3 PRO 26 3HB PRO 26 -8.060 6.902 -26.212
230 HG2 PRO 26 2HG PRO 26 -9.215 9.492 -27.173
231 HG3 PRO 26 3HG PRO 26 -9.739 7.834 -27.524
232 HD2 PRO 26 2HD PRO 26 -10.978 9.396 -25.692
233 HD3 PRO 26 3HD PRO 26 -10.865 7.632 -25.523
Start of MODEL 17
1 H1 VAL 1 H VAL 1 2.047 0.558 0.724
2 HA VAL 1 HA VAL 1 2.054 0.966 -2.050
3 HB VAL 1 HB VAL 1 4.031 1.336 -0.633
4 HG11 VAL 1 1HG1 VAL 1 4.460 -1.636 -0.614
5 HG12 VAL 1 2HG1 VAL 1 5.296 -0.394 0.320
6 HG13 VAL 1 3HG1 VAL 1 3.622 -0.807 0.698
7 HG21 VAL 1 3HG2 VAL 1 3.954 0.235 -3.209
8 HG22 VAL 1 1HG2 VAL 1 5.255 1.177 -2.481
9 HG23 VAL 1 2HG2 VAL 1 5.274 -0.584 -2.374
10 H SER 2 H SER 2 1.683 -1.917 -0.140
11 HA SER 2 HA SER 2 2.192 -3.727 -2.321
12 HB2 SER 2 2HB SER 2 2.705 -4.650 -0.222
13 HB3 SER 2 3HB SER 2 1.212 -4.058 0.505
14 HG SER 2 HG SER 2 0.593 -6.042 0.115
15 H VAL 3 H VAL 3 -0.481 -1.934 -1.158
16 HA VAL 3 HA VAL 3 -2.508 -3.658 -2.279
17 HB VAL 3 HB VAL 3 -4.072 -1.825 -1.708
18 HG11 VAL 3 1HG1 VAL 3 -2.172 -2.674 0.474
19 HG12 VAL 3 2HG1 VAL 3 -3.760 -1.955 0.747
20 HG13 VAL 3 3HG1 VAL 3 -3.625 -3.521 -0.055
21 HG21 VAL 3 3HG2 VAL 3 -3.291 0.134 -0.517
22 HG22 VAL 3 1HG2 VAL 3 -1.624 -0.427 -0.636
23 HG23 VAL 3 2HG2 VAL 3 -2.503 0.040 -2.092
24 H ASP 4 H ASP 4 -0.527 -1.058 -3.351
25 HA ASP 4 HA ASP 4 -2.114 0.040 -5.378
26 HB2 ASP 4 2HB ASP 4 0.561 0.289 -4.481
27 HB3 ASP 4 3HB ASP 4 0.630 -0.034 -6.211
28 HA PRO 5 HA PRO 5 -0.087 -3.209 -8.346
29 HB2 PRO 5 2HB PRO 5 1.111 -5.345 -7.175
30 HB3 PRO 5 3HB PRO 5 1.976 -3.853 -7.566
31 HG2 PRO 5 2HG PRO 5 0.847 -4.758 -4.945
32 HG3 PRO 5 3HG PRO 5 2.407 -3.986 -5.284
33 HD2 PRO 5 2HD PRO 5 0.286 -2.615 -4.308
34 HD3 PRO 5 3HD PRO 5 1.484 -1.877 -5.391
35 H PHE 6 H PHE 6 -1.474 -4.320 -5.307
36 HA PHE 6 HA PHE 6 -2.592 -6.728 -6.187
37 HB2 PHE 6 2HB PHE 6 -2.414 -5.788 -3.795
38 HB3 PHE 6 3HB PHE 6 -3.920 -4.949 -4.154
39 HD1 PHE 6 HD2 PHE 6 -2.347 -8.247 -3.733
40 HD2 PHE 6 HD1 PHE 6 -5.994 -6.108 -4.227
41 HE1 PHE 6 HE2 PHE 6 -3.611 -10.268 -3.124
42 HE2 PHE 6 HE1 PHE 6 -7.263 -8.126 -3.618
43 HZ PHE 6 HZ PHE 6 -6.072 -10.209 -3.067
44 H TYR 7 H TYR 7 -4.204 -3.566 -5.823
45 HA TYR 7 HA TYR 7 -6.541 -4.415 -7.222
46 HB2 TYR 7 2HB TYR 7 -7.432 -2.428 -6.580
47 HB3 TYR 7 3HB TYR 7 -6.041 -2.392 -5.502
48 HD1 TYR 7 HD2 TYR 7 -4.081 -0.993 -6.058
49 HD2 TYR 7 HD1 TYR 7 -7.620 -0.906 -8.419
50 HE1 TYR 7 HE2 TYR 7 -3.341 1.119 -7.078
51 HE2 TYR 7 HE1 TYR 7 -6.890 1.206 -9.446
52 HH TYR 7 HH TYR 7 -3.737 2.627 -8.681
53 H GLU 8 H GLU 8 -3.485 -3.199 -8.180
54 HA GLU 8 HA GLU 8 -4.306 -2.063 -10.676
55 HB2 GLU 8 2HB GLU 8 -1.729 -2.643 -9.322
56 HB3 GLU 8 3HB GLU 8 -1.693 -2.527 -11.076
57 HG2 GLU 8 2HG GLU 8 -2.918 -0.398 -9.354
58 HG3 GLU 8 3HG GLU 8 -1.204 -0.415 -9.768
59 H MET 9 H MET 9 -2.968 -5.171 -9.648
60 HA MET 9 HA MET 9 -2.898 -6.210 -12.336
61 HB2 MET 9 2HB MET 9 -2.098 -8.247 -11.350
62 HB3 MET 9 3HB MET 9 -1.288 -6.903 -10.556
63 HG2 MET 9 2HG MET 9 -2.900 -7.090 -8.691
64 HG3 MET 9 3HG MET 9 -3.591 -8.509 -9.476
65 HE1 MET 9 3HE MET 9 -2.605 -10.488 -9.967
66 HE2 MET 9 1HE MET 9 -1.085 -11.167 -9.384
67 HE3 MET 9 2HE MET 9 -2.487 -11.100 -8.316
68 H LEU 10 H LEU 10 -4.975 -6.518 -9.501
69 HA LEU 10 HA LEU 10 -6.685 -8.473 -10.749
70 HB2 LEU 10 2HB LEU 10 -6.644 -7.011 -8.155
71 HB3 LEU 10 3HB LEU 10 -8.154 -7.748 -8.688
72 HG LEU 10 HG LEU 10 -6.288 -9.775 -8.974
73 HD11 LEU 10 1HD1 LEU 10 -5.120 -9.895 -6.859
74 HD12 LEU 10 2HD1 LEU 10 -5.795 -8.342 -6.368
75 HD13 LEU 10 3HD1 LEU 10 -4.662 -8.424 -7.717
76 HD21 LEU 10 3HD2 LEU 10 -8.677 -9.741 -8.081
77 HD22 LEU 10 1HD2 LEU 10 -7.960 -9.363 -6.514
78 HD23 LEU 10 2HD2 LEU 10 -7.550 -10.872 -7.330
79 H ALA 11 H ALA 11 -8.491 -8.125 -11.893
80 HA ALA 11 HA ALA 11 -9.144 -5.430 -12.675
81 HB1 ALA 11 1HB ALA 11 -9.502 -8.036 -13.759
82 HB2 ALA 11 2HB ALA 11 -11.077 -7.248 -13.659
83 HB3 ALA 11 3HB ALA 11 -9.757 -6.472 -14.533
84 H ALA 12 H ALA 12 -10.652 -7.999 -10.777
85 HA ALA 12 HA ALA 12 -13.152 -6.766 -10.397
86 HB1 ALA 12 1HB ALA 12 -12.161 -8.419 -8.178
87 HB2 ALA 12 2HB ALA 12 -13.639 -8.559 -9.130
88 HB3 ALA 12 3HB ALA 12 -12.118 -9.185 -9.766
89 H ARG 13 H ARG 13 -10.125 -6.574 -8.586
90 HA ARG 13 HA ARG 13 -11.065 -5.157 -6.364
91 HB2 ARG 13 2HB ARG 13 -8.485 -5.811 -7.541
92 HB3 ARG 13 3HB ARG 13 -8.483 -4.222 -6.787
93 HG2 ARG 13 2HG ARG 13 -9.343 -6.771 -5.434
94 HG3 ARG 13 3HG ARG 13 -7.758 -6.013 -5.265
95 HD2 ARG 13 2HD ARG 13 -9.180 -3.913 -4.602
96 HD3 ARG 13 3HD ARG 13 -10.415 -5.119 -4.243
97 HE ARG 13 HE ARG 13 -9.180 -5.813 -2.429
98 HH11 ARG 13 1HH1 ARG 13 -7.278 -3.667 -4.404
99 HH12 ARG 13 2HH1 ARG 13 -6.009 -3.505 -3.235
100 HH21 ARG 13 1HH2 ARG 13 -7.516 -5.607 -0.882
101 HH22 ARG 13 2HH2 ARG 13 -6.146 -4.609 -1.232
102 H LYS 14 H LYS 14 -10.598 -4.171 -9.613
103 HA LYS 14 HA LYS 14 -10.330 -1.358 -9.047
104 HB2 LYS 14 2HB LYS 14 -10.920 -2.807 -11.635
105 HB3 LYS 14 3HB LYS 14 -10.565 -1.090 -11.497
106 HG2 LYS 14 2HG LYS 14 -8.336 -1.517 -10.809
107 HG3 LYS 14 3HG LYS 14 -8.664 -3.238 -10.599
108 HD2 LYS 14 2HD LYS 14 -7.780 -3.426 -12.658
109 HD3 LYS 14 3HD LYS 14 -9.368 -2.877 -13.199
110 HE2 LYS 14 2HE LYS 14 -7.258 -0.880 -12.499
111 HE3 LYS 14 3HE LYS 14 -7.209 -1.694 -14.062
112 HZ1 LYS 14 3HZ LYS 14 -9.433 -0.889 -14.521
113 HZ2 LYS 14 1HZ LYS 14 -8.402 0.408 -14.177
114 HZ3 LYS 14 2HZ LYS 14 -9.504 -0.128 -13.011
115 H LYS 15 H LYS 15 -12.043 -0.470 -8.040
116 HA LYS 15 HA LYS 15 -14.751 -1.186 -8.735
117 HB2 LYS 15 2HB LYS 15 -13.581 0.833 -6.822
118 HB3 LYS 15 3HB LYS 15 -15.312 0.651 -7.075
119 HG2 LYS 15 2HG LYS 15 -15.398 -1.370 -6.011
120 HG3 LYS 15 3HG LYS 15 -13.716 -1.760 -6.379
121 HD2 LYS 15 2HD LYS 15 -13.339 0.382 -4.811
122 HD3 LYS 15 3HD LYS 15 -14.865 -0.200 -4.141
123 HE2 LYS 15 2HE LYS 15 -13.899 -2.372 -3.721
124 HE3 LYS 15 3HE LYS 15 -12.400 -1.897 -4.520
125 HZ1 LYS 15 3HZ LYS 15 -11.993 -0.291 -2.798
126 HZ2 LYS 15 1HZ LYS 15 -12.260 -1.802 -2.085
127 HZ3 LYS 15 2HZ LYS 15 -13.478 -0.628 -2.061
128 H ARG 16 H ARG 16 -13.471 2.098 -8.352
129 HA ARG 16 HA ARG 16 -15.165 3.041 -10.486
130 HB2 ARG 16 2HB ARG 16 -14.898 4.431 -8.525
131 HB3 ARG 16 3HB ARG 16 -13.152 4.453 -8.731
132 HG2 ARG 16 2HG ARG 16 -14.065 6.545 -9.467
133 HG3 ARG 16 3HG ARG 16 -13.453 5.657 -10.865
134 HD2 ARG 16 2HD ARG 16 -15.531 5.316 -11.730
135 HD3 ARG 16 3HD ARG 16 -16.300 5.264 -10.145
136 HE ARG 16 HE ARG 16 -16.020 7.538 -11.829
137 HH11 ARG 16 1HH1 ARG 16 -16.078 6.539 -8.494
138 HH12 ARG 16 2HH1 ARG 16 -16.636 8.071 -7.909
139 HH21 ARG 16 1HH2 ARG 16 -16.754 9.560 -11.071
140 HH22 ARG 16 2HH2 ARG 16 -17.021 9.789 -9.375
141 H ILE 17 H ILE 17 -11.718 2.528 -9.955
142 HA ILE 17 HA ILE 17 -10.716 3.793 -12.228
143 HB ILE 17 HB ILE 17 -8.852 2.034 -12.057
144 HG12 ILE 17 2HG1 ILE 17 -10.716 0.672 -10.572
145 HG13 ILE 17 3HG1 ILE 17 -8.984 0.356 -10.556
146 HG21 ILE 17 1HG2 ILE 17 -8.006 3.059 -9.935
147 HG22 ILE 17 2HG2 ILE 17 -8.550 4.216 -11.148
148 HG23 ILE 17 3HG2 ILE 17 -9.575 3.844 -9.762
149 HD11 ILE 17 3HD1 ILE 17 -10.064 0.568 -8.312
150 HD12 ILE 17 1HD1 ILE 17 -8.687 1.635 -8.585
151 HD13 ILE 17 2HD1 ILE 17 -10.329 2.273 -8.676
152 H SER 18 H SER 18 -12.133 0.602 -11.822
153 HA SER 18 HA SER 18 -11.389 -0.539 -14.260
154 HB2 SER 18 2HB SER 18 -12.344 -2.085 -12.833
155 HB3 SER 18 3HB SER 18 -13.628 -0.986 -12.329
156 HG SER 18 HG SER 18 -14.783 -1.503 -14.066
157 H VAL 19 H VAL 19 -14.594 0.836 -13.500
158 HA VAL 19 HA VAL 19 -15.455 0.962 -16.172
159 HB VAL 19 HB VAL 19 -17.055 1.026 -14.356
160 HG11 VAL 19 1HG1 VAL 19 -15.610 2.315 -12.788
161 HG12 VAL 19 2HG1 VAL 19 -16.017 3.776 -13.690
162 HG13 VAL 19 3HG1 VAL 19 -17.280 2.876 -12.850
163 HG21 VAL 19 3HG2 VAL 19 -18.506 2.208 -15.576
164 HG22 VAL 19 1HG2 VAL 19 -17.611 3.708 -15.333
165 HG23 VAL 19 2HG2 VAL 19 -17.139 2.598 -16.620
166 H LYS 20 H LYS 20 -13.887 3.351 -14.093
167 HA LYS 20 HA LYS 20 -14.107 5.563 -15.804
168 HB2 LYS 20 2HB LYS 20 -13.472 5.875 -13.505
169 HB3 LYS 20 3HB LYS 20 -12.041 4.874 -13.711
170 HG2 LYS 20 2HG LYS 20 -12.207 7.198 -15.500
171 HG3 LYS 20 3HG LYS 20 -12.041 7.571 -13.783
172 HD2 LYS 20 2HD LYS 20 -10.270 5.475 -14.919
173 HD3 LYS 20 3HD LYS 20 -9.937 7.153 -15.354
174 HE2 LYS 20 2HE LYS 20 -10.370 6.372 -12.495
175 HE3 LYS 20 3HE LYS 20 -8.800 6.134 -13.260
176 HZ1 LYS 20 3HZ LYS 20 -10.226 8.735 -13.169
177 HZ2 LYS 20 1HZ LYS 20 -8.649 8.459 -13.714
178 HZ3 LYS 20 2HZ LYS 20 -9.021 8.275 -12.075
179 H LYS 21 H LYS 21 -12.122 2.763 -15.962
180 HA LYS 21 HA LYS 21 -10.116 3.934 -17.675
181 HB2 LYS 21 2HB LYS 21 -9.552 2.085 -16.155
182 HB3 LYS 21 3HB LYS 21 -10.681 1.039 -17.006
183 HG2 LYS 21 2HG LYS 21 -8.697 2.283 -18.749
184 HG3 LYS 21 3HG LYS 21 -8.005 1.234 -17.509
185 HD2 LYS 21 2HD LYS 21 -8.958 -0.646 -18.375
186 HD3 LYS 21 3HD LYS 21 -10.367 0.220 -18.992
187 HE2 LYS 21 2HE LYS 21 -9.171 1.015 -20.871
188 HE3 LYS 21 3HE LYS 21 -7.622 0.538 -20.179
189 HZ1 LYS 21 3HZ LYS 21 -9.026 -0.915 -21.956
190 HZ2 LYS 21 1HZ LYS 21 -9.491 -1.633 -20.497
191 HZ3 LYS 21 2HZ LYS 21 -7.854 -1.546 -20.912
192 H LYS 22 H LYS 22 -12.647 1.459 -18.106
193 HA LYS 22 HA LYS 22 -12.362 1.230 -20.893
194 HB2 LYS 22 2HB LYS 22 -14.707 0.279 -20.782
195 HB3 LYS 22 3HB LYS 22 -13.512 -0.507 -19.759
196 HG2 LYS 22 2HG LYS 22 -14.356 0.616 -17.813
197 HG3 LYS 22 3HG LYS 22 -15.459 1.578 -18.799
198 HD2 LYS 22 2HD LYS 22 -16.221 -0.873 -19.563
199 HD3 LYS 22 3HD LYS 22 -15.648 -1.247 -17.935
200 HE2 LYS 22 2HE LYS 22 -17.298 -0.042 -16.932
201 HE3 LYS 22 3HE LYS 22 -17.394 1.127 -18.247
202 HZ1 LYS 22 3HZ LYS 22 -18.213 -1.344 -19.246
203 HZ2 LYS 22 1HZ LYS 22 -19.149 0.046 -19.010
204 HZ3 LYS 22 2HZ LYS 22 -19.023 -1.108 -17.780
205 H GLN 23 H GLN 23 -14.430 3.294 -18.904
206 HA GLN 23 HA GLN 23 -15.923 4.399 -21.035
207 HB2 GLN 23 2HB GLN 23 -16.774 5.937 -19.461
208 HB3 GLN 23 3HB GLN 23 -16.477 4.462 -18.551
209 HG2 GLN 23 2HG GLN 23 -14.410 5.384 -17.682
210 HG3 GLN 23 3HG GLN 23 -14.644 6.847 -18.638
211 HE21 GLN 23 1HE2 GLN 23 -16.869 4.926 -16.660
212 HE22 GLN 23 2HE2 GLN 23 -17.339 6.223 -15.621
213 H GLU 24 H GLU 24 -15.844 6.997 -21.148
214 HA GLU 24 HA GLU 24 -13.562 7.611 -22.663
215 HB2 GLU 24 2HB GLU 24 -14.430 9.881 -22.751
216 HB3 GLU 24 3HB GLU 24 -15.737 8.726 -22.963
217 HG2 GLU 24 2HG GLU 24 -16.296 9.010 -20.558
218 HG3 GLU 24 3HG GLU 24 -15.082 10.286 -20.477
219 H GLN 25 H GLN 25 -11.615 8.378 -22.141
220 HA GLN 25 HA GLN 25 -10.711 8.472 -19.495
221 HB2 GLN 25 2HB GLN 25 -8.703 9.654 -20.506
222 HB3 GLN 25 3HB GLN 25 -9.099 8.078 -21.179
223 HG2 GLN 25 2HG GLN 25 -9.965 9.009 -23.145
224 HG3 GLN 25 3HG GLN 25 -10.067 10.620 -22.436
225 HE21 GLN 25 1HE2 GLN 25 -7.686 8.103 -23.187
226 HE22 GLN 25 2HE2 GLN 25 -6.441 9.189 -23.693
227 HA PRO 26 HA PRO 26 -11.723 12.472 -18.005
228 HB2 PRO 26 2HB PRO 26 -9.543 13.058 -16.496
229 HB3 PRO 26 3HB PRO 26 -10.747 11.855 -16.018
230 HG2 PRO 26 2HG PRO 26 -8.074 11.453 -17.305
231 HG3 PRO 26 3HG PRO 26 -8.826 10.544 -15.981
232 HD2 PRO 26 2HD PRO 26 -8.802 9.646 -18.535
233 HD3 PRO 26 3HD PRO 26 -10.132 9.295 -17.413
Start of MODEL 18
1 H1 VAL 1 H VAL 1 2.026 -0.441 1.269
2 HA VAL 1 HA VAL 1 2.202 0.054 -1.543
3 HB VAL 1 HB VAL 1 4.152 -1.449 0.206
4 HG11 VAL 1 1HG1 VAL 1 4.092 -0.821 -2.597
5 HG12 VAL 1 2HG1 VAL 1 5.467 -0.034 -1.821
6 HG13 VAL 1 3HG1 VAL 1 5.260 -1.781 -1.691
7 HG21 VAL 1 3HG2 VAL 1 5.315 0.898 0.040
8 HG22 VAL 1 1HG2 VAL 1 3.661 1.463 -0.198
9 HG23 VAL 1 2HG2 VAL 1 4.091 0.586 1.271
10 H SER 2 H SER 2 1.472 -2.696 0.437
11 HA SER 2 HA SER 2 1.969 -4.644 -1.625
12 HB2 SER 2 2HB SER 2 1.349 -6.267 -0.052
13 HB3 SER 2 3HB SER 2 2.049 -4.992 0.945
14 HG SER 2 HG SER 2 0.210 -5.021 1.947
15 H VAL 3 H VAL 3 -0.606 -2.572 -0.739
16 HA VAL 3 HA VAL 3 -2.697 -4.163 -1.937
17 HB VAL 3 HB VAL 3 -2.808 -1.256 -1.129
18 HG11 VAL 3 1HG1 VAL 3 -4.881 -3.320 -1.803
19 HG12 VAL 3 2HG1 VAL 3 -5.268 -1.893 -0.840
20 HG13 VAL 3 3HG1 VAL 3 -4.662 -1.709 -2.487
21 HG21 VAL 3 3HG2 VAL 3 -4.124 -2.673 0.816
22 HG22 VAL 3 1HG2 VAL 3 -2.727 -3.694 0.474
23 HG23 VAL 3 2HG2 VAL 3 -2.495 -2.013 0.955
24 H ASP 4 H ASP 4 -0.417 -1.800 -2.964
25 HA ASP 4 HA ASP 4 -1.751 -0.666 -5.146
26 HB2 ASP 4 2HB ASP 4 0.872 -0.620 -4.067
27 HB3 ASP 4 3HB ASP 4 1.021 -1.009 -5.778
28 HA PRO 5 HA PRO 5 0.180 -4.216 -7.819
29 HB2 PRO 5 2HB PRO 5 1.093 -6.391 -6.475
30 HB3 PRO 5 3HB PRO 5 2.114 -5.001 -6.860
31 HG2 PRO 5 2HG PRO 5 0.724 -5.677 -4.296
32 HG3 PRO 5 3HG PRO 5 2.368 -5.063 -4.549
33 HD2 PRO 5 2HD PRO 5 0.316 -3.466 -3.792
34 HD3 PRO 5 3HD PRO 5 1.650 -2.888 -4.811
35 H PHE 6 H PHE 6 -1.461 -5.131 -4.828
36 HA PHE 6 HA PHE 6 -2.755 -7.435 -5.748
37 HB2 PHE 6 2HB PHE 6 -2.589 -6.505 -3.352
38 HB3 PHE 6 3HB PHE 6 -3.993 -5.530 -3.774
39 HD1 PHE 6 HD2 PHE 6 -6.147 -6.596 -4.252
40 HD2 PHE 6 HD1 PHE 6 -2.774 -8.852 -2.967
41 HE1 PHE 6 HE2 PHE 6 -7.625 -8.482 -3.694
42 HE2 PHE 6 HE1 PHE 6 -4.246 -10.742 -2.408
43 HZ PHE 6 HZ PHE 6 -6.675 -10.558 -2.770
44 H TYR 7 H TYR 7 -3.979 -4.093 -5.568
45 HA TYR 7 HA TYR 7 -6.369 -4.738 -7.014
46 HB2 TYR 7 2HB TYR 7 -7.079 -2.687 -6.385
47 HB3 TYR 7 3HB TYR 7 -5.679 -2.719 -5.320
48 HD1 TYR 7 HD2 TYR 7 -3.643 -1.470 -5.907
49 HD2 TYR 7 HD1 TYR 7 -7.146 -1.250 -8.311
50 HE1 TYR 7 HE2 TYR 7 -2.753 0.540 -7.010
51 HE2 TYR 7 HE1 TYR 7 -6.266 0.760 -9.422
52 HH TYR 7 HH TYR 7 -3.105 1.696 -9.290
53 H GLU 8 H GLU 8 -3.170 -3.998 -7.885
54 HA GLU 8 HA GLU 8 -3.779 -2.803 -10.435
55 HB2 GLU 8 2HB GLU 8 -1.326 -3.538 -8.938
56 HB3 GLU 8 3HB GLU 8 -1.196 -3.507 -10.691
57 HG2 GLU 8 2HG GLU 8 -2.283 -1.211 -9.089
58 HG3 GLU 8 3HG GLU 8 -0.577 -1.385 -9.496
59 H MET 9 H MET 9 -2.802 -5.980 -9.243
60 HA MET 9 HA MET 9 -2.658 -7.117 -11.886
61 HB2 MET 9 2HB MET 9 -2.278 -9.243 -10.708
62 HB3 MET 9 3HB MET 9 -1.209 -7.974 -10.127
63 HG2 MET 9 2HG MET 9 -3.125 -7.660 -8.343
64 HG3 MET 9 3HG MET 9 -3.456 -9.341 -8.757
65 HE1 MET 9 3HE MET 9 -0.847 -10.968 -9.036
66 HE2 MET 9 1HE MET 9 -0.651 -11.347 -7.324
67 HE3 MET 9 2HE MET 9 -2.265 -11.267 -8.030
68 H LEU 10 H LEU 10 -4.928 -7.172 -9.178
69 HA LEU 10 HA LEU 10 -6.738 -8.982 -10.480
70 HB2 LEU 10 2HB LEU 10 -6.608 -7.527 -7.924
71 HB3 LEU 10 3HB LEU 10 -8.231 -7.830 -8.539
72 HG LEU 10 HG LEU 10 -7.628 -9.568 -6.992
73 HD11 LEU 10 1HD1 LEU 10 -8.625 -9.995 -9.471
74 HD12 LEU 10 2HD1 LEU 10 -8.488 -11.236 -8.226
75 HD13 LEU 10 3HD1 LEU 10 -7.248 -11.096 -9.471
76 HD21 LEU 10 3HD2 LEU 10 -5.708 -10.979 -7.263
77 HD22 LEU 10 1HD2 LEU 10 -5.169 -9.300 -7.244
78 HD23 LEU 10 2HD2 LEU 10 -5.271 -10.176 -8.772
79 H ALA 11 H ALA 11 -8.375 -8.520 -11.812
80 HA ALA 11 HA ALA 11 -8.724 -5.807 -12.721
81 HB1 ALA 11 1HB ALA 11 -10.189 -8.312 -13.541
82 HB2 ALA 11 2HB ALA 11 -10.223 -6.760 -14.378
83 HB3 ALA 11 3HB ALA 11 -8.724 -7.687 -14.298
84 H ALA 12 H ALA 12 -10.609 -8.185 -10.914
85 HA ALA 12 HA ALA 12 -12.998 -6.661 -10.790
86 HB1 ALA 12 1HB ALA 12 -12.717 -8.390 -8.518
87 HB2 ALA 12 2HB ALA 12 -13.792 -8.536 -9.908
88 HB3 ALA 12 3HB ALA 12 -12.165 -9.213 -9.977
89 H ARG 13 H ARG 13 -10.008 -6.464 -9.119
90 HA ARG 13 HA ARG 13 -10.975 -5.224 -6.737
91 HB2 ARG 13 2HB ARG 13 -8.398 -5.968 -7.871
92 HB3 ARG 13 3HB ARG 13 -8.336 -4.416 -7.047
93 HG2 ARG 13 2HG ARG 13 -9.303 -7.008 -5.859
94 HG3 ARG 13 3HG ARG 13 -7.746 -6.237 -5.551
95 HD2 ARG 13 2HD ARG 13 -9.153 -4.204 -4.817
96 HD3 ARG 13 3HD ARG 13 -10.488 -5.352 -4.726
97 HE ARG 13 HE ARG 13 -9.526 -6.291 -2.856
98 HH11 ARG 13 1HH1 ARG 13 -7.294 -4.080 -4.357
99 HH12 ARG 13 2HH1 ARG 13 -6.181 -4.098 -3.030
100 HH21 ARG 13 1HH2 ARG 13 -8.067 -6.322 -1.102
101 HH22 ARG 13 2HH2 ARG 13 -6.621 -5.374 -1.179
102 H LYS 14 H LYS 14 -10.369 -4.143 -9.931
103 HA LYS 14 HA LYS 14 -9.922 -1.382 -9.280
104 HB2 LYS 14 2HB LYS 14 -10.673 -2.689 -11.902
105 HB3 LYS 14 3HB LYS 14 -10.176 -1.013 -11.711
106 HG2 LYS 14 2HG LYS 14 -7.978 -1.661 -11.055
107 HG3 LYS 14 3HG LYS 14 -8.450 -3.359 -10.960
108 HD2 LYS 14 2HD LYS 14 -8.563 -3.587 -13.269
109 HD3 LYS 14 3HD LYS 14 -8.740 -1.850 -13.530
110 HE2 LYS 14 2HE LYS 14 -6.444 -1.467 -12.991
111 HE3 LYS 14 3HE LYS 14 -6.236 -3.131 -12.449
112 HZ1 LYS 14 3HZ LYS 14 -6.015 -2.060 -15.070
113 HZ2 LYS 14 1HZ LYS 14 -7.155 -3.310 -15.035
114 HZ3 LYS 14 2HZ LYS 14 -5.575 -3.590 -14.500
115 H LYS 15 H LYS 15 -11.565 -0.467 -8.160
116 HA LYS 15 HA LYS 15 -14.323 -0.924 -8.874
117 HB2 LYS 15 2HB LYS 15 -12.990 0.857 -6.835
118 HB3 LYS 15 3HB LYS 15 -14.731 0.829 -7.083
119 HG2 LYS 15 2HG LYS 15 -14.938 -1.339 -6.270
120 HG3 LYS 15 3HG LYS 15 -13.223 -1.689 -6.496
121 HD2 LYS 15 2HD LYS 15 -13.674 -1.405 -4.144
122 HD3 LYS 15 3HD LYS 15 -12.698 -0.049 -4.715
123 HE2 LYS 15 2HE LYS 15 -14.576 1.402 -4.737
124 HE3 LYS 15 3HE LYS 15 -15.699 0.062 -4.509
125 HZ1 LYS 15 3HZ LYS 15 -13.737 0.253 -2.424
126 HZ2 LYS 15 1HZ LYS 15 -15.421 0.125 -2.314
127 HZ3 LYS 15 2HZ LYS 15 -14.701 1.639 -2.541
128 H ARG 16 H ARG 16 -12.762 2.209 -8.293
129 HA ARG 16 HA ARG 16 -14.408 3.440 -10.316
130 HB2 ARG 16 2HB ARG 16 -13.103 4.310 -7.992
131 HB3 ARG 16 3HB ARG 16 -12.290 5.136 -9.315
132 HG2 ARG 16 2HG ARG 16 -14.825 5.555 -10.048
133 HG3 ARG 16 3HG ARG 16 -15.048 5.425 -8.302
134 HD2 ARG 16 2HD ARG 16 -12.962 7.054 -8.285
135 HD3 ARG 16 3HD ARG 16 -13.568 7.457 -9.890
136 HE ARG 16 HE ARG 16 -15.266 8.608 -8.895
137 HH11 ARG 16 1HH1 ARG 16 -13.961 6.344 -6.594
138 HH12 ARG 16 2HH1 ARG 16 -14.938 6.915 -5.282
139 HH21 ARG 16 1HH2 ARG 16 -16.557 9.369 -7.176
140 HH22 ARG 16 2HH2 ARG 16 -16.415 8.635 -5.614
141 H ILE 17 H ILE 17 -11.010 2.596 -9.906
142 HA ILE 17 HA ILE 17 -9.942 3.924 -12.111
143 HB ILE 17 HB ILE 17 -8.242 1.997 -12.108
144 HG12 ILE 17 2HG1 ILE 17 -10.192 0.710 -10.667
145 HG13 ILE 17 3HG1 ILE 17 -8.496 0.240 -10.718
146 HG21 ILE 17 1HG2 ILE 17 -8.752 3.704 -9.681
147 HG22 ILE 17 2HG2 ILE 17 -7.265 2.795 -9.946
148 HG23 ILE 17 3HG2 ILE 17 -7.725 4.077 -11.066
149 HD11 ILE 17 3HD1 ILE 17 -9.510 0.397 -8.437
150 HD12 ILE 17 1HD1 ILE 17 -8.043 1.346 -8.675
151 HD13 ILE 17 2HD1 ILE 17 -9.619 2.140 -8.682
152 H SER 18 H SER 18 -11.606 0.832 -11.889
153 HA SER 18 HA SER 18 -11.020 -0.162 -14.438
154 HB2 SER 18 2HB SER 18 -12.014 -1.729 -13.033
155 HB3 SER 18 3HB SER 18 -13.261 -0.604 -12.492
156 HG SER 18 HG SER 18 -13.103 -1.581 -15.147
157 H VAL 19 H VAL 19 -14.081 1.371 -13.426
158 HA VAL 19 HA VAL 19 -15.085 1.737 -16.013
159 HB VAL 19 HB VAL 19 -16.549 1.872 -14.093
160 HG11 VAL 19 1HG1 VAL 19 -16.484 3.672 -12.500
161 HG12 VAL 19 2HG1 VAL 19 -14.893 2.909 -12.560
162 HG13 VAL 19 3HG1 VAL 19 -15.165 4.451 -13.372
163 HG21 VAL 19 3HG2 VAL 19 -16.876 4.648 -14.905
164 HG22 VAL 19 1HG2 VAL 19 -16.619 3.558 -16.268
165 HG23 VAL 19 2HG2 VAL 19 -17.945 3.266 -15.143
166 H LYS 20 H LYS 20 -13.119 3.840 -13.969
167 HA LYS 20 HA LYS 20 -13.240 6.163 -15.525
168 HB2 LYS 20 2HB LYS 20 -12.335 6.144 -13.255
169 HB3 LYS 20 3HB LYS 20 -10.988 5.143 -13.783
170 HG2 LYS 20 2HG LYS 20 -10.131 7.318 -13.637
171 HG3 LYS 20 3HG LYS 20 -10.387 7.035 -15.361
172 HD2 LYS 20 2HD LYS 20 -11.298 9.134 -15.114
173 HD3 LYS 20 3HD LYS 20 -12.723 8.118 -14.885
174 HE2 LYS 20 2HE LYS 20 -11.093 8.837 -12.501
175 HE3 LYS 20 3HE LYS 20 -12.130 10.074 -13.210
176 HZ1 LYS 20 3HZ LYS 20 -13.884 8.162 -13.097
177 HZ2 LYS 20 1HZ LYS 20 -13.554 9.108 -11.734
178 HZ3 LYS 20 2HZ LYS 20 -12.870 7.569 -11.880
179 H LYS 21 H LYS 21 -11.120 3.347 -15.723
180 HA LYS 21 HA LYS 21 -9.495 4.447 -17.814
181 HB2 LYS 21 2HB LYS 21 -9.655 1.905 -16.319
182 HB3 LYS 21 3HB LYS 21 -9.036 1.776 -17.961
183 HG2 LYS 21 2HG LYS 21 -7.186 2.047 -16.487
184 HG3 LYS 21 3HG LYS 21 -7.375 3.544 -17.404
185 HD2 LYS 21 2HD LYS 21 -8.757 4.365 -15.407
186 HD3 LYS 21 3HD LYS 21 -8.064 2.998 -14.531
187 HE2 LYS 21 2HE LYS 21 -6.261 4.845 -16.029
188 HE3 LYS 21 3HE LYS 21 -6.912 5.352 -14.471
189 HZ1 LYS 21 3HZ LYS 21 -5.847 2.685 -14.443
190 HZ2 LYS 21 1HZ LYS 21 -5.558 3.975 -13.388
191 HZ3 LYS 21 2HZ LYS 21 -4.686 3.852 -14.832
192 H LYS 22 H LYS 22 -12.022 1.945 -17.680
193 HA LYS 22 HA LYS 22 -12.065 1.347 -20.415
194 HB2 LYS 22 2HB LYS 22 -13.863 0.023 -19.938
195 HB3 LYS 22 3HB LYS 22 -13.271 0.268 -18.300
196 HG2 LYS 22 2HG LYS 22 -14.885 2.133 -18.049
197 HG3 LYS 22 3HG LYS 22 -15.530 1.736 -19.644
198 HD2 LYS 22 2HD LYS 22 -15.381 -0.255 -17.389
199 HD3 LYS 22 3HD LYS 22 -16.785 0.776 -17.671
200 HE2 LYS 22 2HE LYS 22 -17.341 -0.291 -19.634
201 HE3 LYS 22 3HE LYS 22 -15.692 -0.839 -19.927
202 HZ1 LYS 22 3HZ LYS 22 -17.237 -1.886 -17.644
203 HZ2 LYS 22 1HZ LYS 22 -15.919 -2.582 -18.445
204 HZ3 LYS 22 2HZ LYS 22 -17.437 -2.543 -19.190
205 H GLN 23 H GLN 23 -13.265 4.064 -18.678
206 HA GLN 23 HA GLN 23 -15.330 4.915 -20.363
207 HB2 GLN 23 2HB GLN 23 -13.536 6.228 -18.387
208 HB3 GLN 23 3HB GLN 23 -14.420 7.269 -19.496
209 HG2 GLN 23 2HG GLN 23 -16.017 5.179 -18.186
210 HG3 GLN 23 3HG GLN 23 -15.365 6.421 -17.119
211 HE21 GLN 23 1HE2 GLN 23 -17.816 6.651 -16.957
212 HE22 GLN 23 2HE2 GLN 23 -18.539 7.807 -18.016
213 H GLU 24 H GLU 24 -15.305 5.524 -22.416
214 HA GLU 24 HA GLU 24 -12.980 5.729 -23.962
215 HB2 GLU 24 2HB GLU 24 -15.257 5.232 -24.842
216 HB3 GLU 24 3HB GLU 24 -15.690 6.916 -24.582
217 HG2 GLU 24 2HG GLU 24 -15.144 6.537 -26.901
218 HG3 GLU 24 3HG GLU 24 -13.951 7.603 -26.160
219 H GLN 25 H GLN 25 -15.115 8.285 -22.709
220 HA GLN 25 HA GLN 25 -13.385 10.378 -23.656
221 HB2 GLN 25 2HB GLN 25 -15.952 10.239 -22.149
222 HB3 GLN 25 3HB GLN 25 -14.999 11.711 -22.018
223 HG2 GLN 25 2HG GLN 25 -16.066 10.478 -24.547
224 HG3 GLN 25 3HG GLN 25 -16.645 11.944 -23.758
225 HE21 GLN 25 1HE2 GLN 25 -15.501 13.835 -23.971
226 HE22 GLN 25 2HE2 GLN 25 -14.202 14.027 -25.093
227 HA PRO 26 HA PRO 26 -10.735 10.920 -20.204
228 HB2 PRO 26 2HB PRO 26 -10.582 13.623 -19.997
229 HB3 PRO 26 3HB PRO 26 -9.818 12.714 -21.307
230 HG2 PRO 26 2HG PRO 26 -12.411 14.211 -21.301
231 HG3 PRO 26 3HG PRO 26 -11.146 14.169 -22.543
232 HD2 PRO 26 2HD PRO 26 -13.420 12.711 -22.730
233 HD3 PRO 26 3HD PRO 26 -11.870 12.152 -23.392
Start of MODEL 19
1 H1 VAL 1 H VAL 1 2.982 -0.753 0.521
2 HA VAL 1 HA VAL 1 2.856 -0.157 -2.212
3 HB VAL 1 HB VAL 1 5.101 -1.116 -2.384
4 HG11 VAL 1 1HG1 VAL 1 4.400 1.086 -1.008
5 HG12 VAL 1 2HG1 VAL 1 5.268 0.203 0.249
6 HG13 VAL 1 3HG1 VAL 1 6.072 0.593 -1.272
7 HG21 VAL 1 3HG2 VAL 1 4.412 -2.268 0.298
8 HG22 VAL 1 1HG2 VAL 1 5.057 -3.081 -1.127
9 HG23 VAL 1 2HG2 VAL 1 6.088 -2.006 -0.182
10 H SER 2 H SER 2 2.346 -3.133 -0.476
11 HA SER 2 HA SER 2 2.506 -4.805 -2.818
12 HB2 SER 2 2HB SER 2 2.993 -5.494 -0.380
13 HB3 SER 2 3HB SER 2 1.241 -5.602 -0.202
14 HG SER 2 HG SER 2 2.962 -7.318 -1.407
15 H VAL 3 H VAL 3 0.125 -2.869 -1.313
16 HA VAL 3 HA VAL 3 -2.147 -4.321 -2.347
17 HB VAL 3 HB VAL 3 -2.060 -1.535 -1.181
18 HG11 VAL 3 1HG1 VAL 3 -4.067 -1.972 -2.486
19 HG12 VAL 3 2HG1 VAL 3 -4.349 -3.460 -1.581
20 HG13 VAL 3 3HG1 VAL 3 -4.450 -1.898 -0.766
21 HG21 VAL 3 3HG2 VAL 3 -1.838 -4.156 0.059
22 HG22 VAL 3 1HG2 VAL 3 -1.550 -2.554 0.738
23 HG23 VAL 3 2HG2 VAL 3 -3.185 -3.214 0.697
24 H ASP 4 H ASP 4 -0.033 -1.820 -3.425
25 HA ASP 4 HA ASP 4 -1.675 -0.474 -5.246
26 HB2 ASP 4 2HB ASP 4 1.080 -0.506 -4.566
27 HB3 ASP 4 3HB ASP 4 0.972 -0.690 -6.314
28 HA PRO 5 HA PRO 5 -0.152 -3.675 -8.551
29 HB2 PRO 5 2HB PRO 5 0.929 -5.977 -7.601
30 HB3 PRO 5 3HB PRO 5 1.894 -4.541 -7.967
31 HG2 PRO 5 2HG PRO 5 0.874 -5.516 -5.327
32 HG3 PRO 5 3HG PRO 5 2.469 -4.859 -5.737
33 HD2 PRO 5 2HD PRO 5 0.553 -3.380 -4.524
34 HD3 PRO 5 3HD PRO 5 1.733 -2.677 -5.649
35 H PHE 6 H PHE 6 -1.395 -4.892 -5.485
36 HA PHE 6 HA PHE 6 -2.797 -7.116 -6.442
37 HB2 PHE 6 2HB PHE 6 -2.346 -6.511 -4.023
38 HB3 PHE 6 3HB PHE 6 -3.678 -5.367 -4.144
39 HD1 PHE 6 HD2 PHE 6 -2.775 -8.935 -4.240
40 HD2 PHE 6 HD1 PHE 6 -5.934 -6.088 -4.070
41 HE1 PHE 6 HE2 PHE 6 -4.362 -10.734 -3.696
42 HE2 PHE 6 HE1 PHE 6 -7.526 -7.883 -3.524
43 HZ PHE 6 HZ PHE 6 -6.742 -10.209 -3.338
44 H TYR 7 H TYR 7 -4.049 -3.854 -5.724
45 HA TYR 7 HA TYR 7 -6.575 -4.381 -6.948
46 HB2 TYR 7 2HB TYR 7 -7.204 -2.440 -5.995
47 HB3 TYR 7 3HB TYR 7 -5.643 -2.497 -5.184
48 HD1 TYR 7 HD2 TYR 7 -3.777 -1.115 -5.984
49 HD2 TYR 7 HD1 TYR 7 -7.633 -0.867 -7.765
50 HE1 TYR 7 HE2 TYR 7 -3.144 1.012 -7.045
51 HE2 TYR 7 HE1 TYR 7 -7.010 1.260 -8.832
52 HH TYR 7 HH TYR 7 -5.454 3.031 -8.638
53 H GLU 8 H GLU 8 -3.512 -3.480 -8.127
54 HA GLU 8 HA GLU 8 -4.449 -2.071 -10.458
55 HB2 GLU 8 2HB GLU 8 -1.817 -2.896 -9.360
56 HB3 GLU 8 3HB GLU 8 -1.913 -2.674 -11.101
57 HG2 GLU 8 2HG GLU 8 -3.057 -0.531 -9.419
58 HG3 GLU 8 3HG GLU 8 -1.303 -0.708 -9.411
59 H MET 9 H MET 9 -3.234 -5.313 -9.729
60 HA MET 9 HA MET 9 -3.460 -6.185 -12.466
61 HB2 MET 9 2HB MET 9 -2.776 -8.360 -11.629
62 HB3 MET 9 3HB MET 9 -1.741 -7.108 -10.956
63 HG2 MET 9 2HG MET 9 -3.399 -7.187 -8.957
64 HG3 MET 9 3HG MET 9 -3.823 -8.766 -9.614
65 HE1 MET 9 3HE MET 9 -2.338 -10.476 -7.288
66 HE2 MET 9 1HE MET 9 -3.176 -10.526 -8.839
67 HE3 MET 9 2HE MET 9 -1.519 -11.116 -8.713
68 H LEU 10 H LEU 10 -5.290 -6.591 -9.471
69 HA LEU 10 HA LEU 10 -7.235 -8.325 -10.702
70 HB2 LEU 10 2HB LEU 10 -6.959 -7.037 -8.011
71 HB3 LEU 10 3HB LEU 10 -8.460 -7.832 -8.483
72 HG LEU 10 HG LEU 10 -5.784 -9.217 -8.451
73 HD11 LEU 10 1HD1 LEU 10 -7.876 -8.953 -6.312
74 HD12 LEU 10 2HD1 LEU 10 -6.146 -8.632 -6.203
75 HD13 LEU 10 3HD1 LEU 10 -6.726 -10.290 -6.355
76 HD21 LEU 10 3HD2 LEU 10 -8.633 -10.125 -8.762
77 HD22 LEU 10 1HD2 LEU 10 -7.328 -11.225 -8.316
78 HD23 LEU 10 2HD2 LEU 10 -7.274 -10.375 -9.860
79 H ALA 11 H ALA 11 -8.917 -7.687 -11.865
80 HA ALA 11 HA ALA 11 -9.546 -4.895 -12.144
81 HB1 ALA 11 1HB ALA 11 -11.116 -7.184 -13.298
82 HB2 ALA 11 2HB ALA 11 -10.972 -5.534 -13.906
83 HB3 ALA 11 3HB ALA 11 -9.594 -6.630 -13.995
84 H ALA 12 H ALA 12 -10.599 -7.424 -10.126
85 HA ALA 12 HA ALA 12 -13.297 -6.640 -9.732
86 HB1 ALA 12 1HB ALA 12 -12.277 -8.868 -9.139
87 HB2 ALA 12 2HB ALA 12 -11.572 -8.077 -7.729
88 HB3 ALA 12 3HB ALA 12 -13.325 -8.155 -7.913
89 H ARG 13 H ARG 13 -10.353 -6.061 -7.807
90 HA ARG 13 HA ARG 13 -11.540 -4.465 -5.842
91 HB2 ARG 13 2HB ARG 13 -8.972 -5.385 -6.418
92 HB3 ARG 13 3HB ARG 13 -8.828 -3.633 -6.461
93 HG2 ARG 13 2HG ARG 13 -8.755 -3.585 -4.254
94 HG3 ARG 13 3HG ARG 13 -10.362 -4.311 -4.181
95 HD2 ARG 13 2HD ARG 13 -9.448 -6.513 -4.160
96 HD3 ARG 13 3HD ARG 13 -7.833 -5.908 -4.524
97 HE ARG 13 HE ARG 13 -9.020 -6.126 -1.960
98 HH11 ARG 13 1HH1 ARG 13 -6.920 -4.101 -3.861
99 HH12 ARG 13 2HH1 ARG 13 -6.064 -3.478 -2.489
100 HH21 ARG 13 1HH2 ARG 13 -7.900 -5.313 -0.147
101 HH22 ARG 13 2HH2 ARG 13 -6.622 -4.169 -0.377
102 H LYS 14 H LYS 14 -10.771 -3.783 -9.115
103 HA LYS 14 HA LYS 14 -10.537 -0.948 -8.884
104 HB2 LYS 14 2HB LYS 14 -11.170 -2.702 -11.264
105 HB3 LYS 14 3HB LYS 14 -10.846 -0.975 -11.357
106 HG2 LYS 14 2HG LYS 14 -8.599 -1.310 -10.547
107 HG3 LYS 14 3HG LYS 14 -8.911 -3.031 -10.307
108 HD2 LYS 14 2HD LYS 14 -7.804 -2.996 -12.345
109 HD3 LYS 14 3HD LYS 14 -9.501 -3.025 -12.831
110 HE2 LYS 14 2HE LYS 14 -9.354 -0.488 -12.921
111 HE3 LYS 14 3HE LYS 14 -7.607 -0.688 -12.797
112 HZ1 LYS 14 3HZ LYS 14 -7.561 -1.011 -14.972
113 HZ2 LYS 14 1HZ LYS 14 -9.248 -0.928 -15.073
114 HZ3 LYS 14 2HZ LYS 14 -8.490 -2.413 -14.789
115 H LYS 15 H LYS 15 -12.286 -0.153 -7.744
116 HA LYS 15 HA LYS 15 -14.987 -0.757 -8.559
117 HB2 LYS 15 2HB LYS 15 -13.873 1.195 -6.540
118 HB3 LYS 15 3HB LYS 15 -15.591 0.940 -6.816
119 HG2 LYS 15 2HG LYS 15 -15.590 -0.781 -5.430
120 HG3 LYS 15 3HG LYS 15 -14.338 -1.585 -6.380
121 HD2 LYS 15 2HD LYS 15 -12.704 -0.997 -4.947
122 HD3 LYS 15 3HD LYS 15 -13.375 0.616 -4.692
123 HE2 LYS 15 2HE LYS 15 -14.999 -0.258 -3.139
124 HE3 LYS 15 3HE LYS 15 -14.487 -1.910 -3.477
125 HZ1 LYS 15 3HZ LYS 15 -13.353 -1.467 -1.556
126 HZ2 LYS 15 1HZ LYS 15 -13.129 0.171 -1.915
127 HZ3 LYS 15 2HZ LYS 15 -12.193 -1.001 -2.696
128 H ARG 16 H ARG 16 -13.580 2.454 -8.002
129 HA ARG 16 HA ARG 16 -15.203 3.566 -10.110
130 HB2 ARG 16 2HB ARG 16 -13.091 4.891 -8.399
131 HB3 ARG 16 3HB ARG 16 -14.265 5.713 -9.418
132 HG2 ARG 16 2HG ARG 16 -15.272 3.871 -7.316
133 HG3 ARG 16 3HG ARG 16 -14.635 5.443 -6.829
134 HD2 ARG 16 2HD ARG 16 -16.290 6.605 -7.933
135 HD3 ARG 16 3HD ARG 16 -16.591 5.296 -9.075
136 HE ARG 16 HE ARG 16 -17.897 5.714 -6.591
137 HH11 ARG 16 1HH1 ARG 16 -16.719 3.213 -8.708
138 HH12 ARG 16 2HH1 ARG 16 -17.861 2.031 -8.160
139 HH21 ARG 16 1HH2 ARG 16 -19.406 4.166 -5.862
140 HH22 ARG 16 2HH2 ARG 16 -19.390 2.574 -6.543
141 H ILE 17 H ILE 17 -11.791 2.873 -9.561
142 HA ILE 17 HA ILE 17 -10.699 4.191 -11.761
143 HB ILE 17 HB ILE 17 -8.927 2.329 -11.650
144 HG12 ILE 17 2HG1 ILE 17 -10.872 1.013 -10.231
145 HG13 ILE 17 3HG1 ILE 17 -9.159 0.609 -10.210
146 HG21 ILE 17 1HG2 ILE 17 -9.579 4.092 -9.298
147 HG22 ILE 17 2HG2 ILE 17 -8.051 3.232 -9.485
148 HG23 ILE 17 3HG2 ILE 17 -8.522 4.459 -10.661
149 HD11 ILE 17 3HD1 ILE 17 -10.262 0.801 -7.971
150 HD12 ILE 17 1HD1 ILE 17 -8.819 1.790 -8.191
151 HD13 ILE 17 2HD1 ILE 17 -10.417 2.531 -8.277
152 H SER 18 H SER 18 -12.237 1.035 -11.517
153 HA SER 18 HA SER 18 -11.523 0.009 -14.019
154 HB2 SER 18 2HB SER 18 -12.497 -1.555 -12.586
155 HB3 SER 18 3HB SER 18 -13.828 -0.480 -12.157
156 HG SER 18 HG SER 18 -14.605 -2.036 -13.556
157 H VAL 19 H VAL 19 -14.650 1.485 -13.133
158 HA VAL 19 HA VAL 19 -15.620 1.718 -15.747
159 HB VAL 19 HB VAL 19 -17.118 1.910 -13.861
160 HG11 VAL 19 1HG1 VAL 19 -15.500 3.040 -12.349
161 HG12 VAL 19 2HG1 VAL 19 -15.794 4.543 -13.225
162 HG13 VAL 19 3HG1 VAL 19 -17.106 3.767 -12.338
163 HG21 VAL 19 3HG2 VAL 19 -17.607 3.103 -16.031
164 HG22 VAL 19 1HG2 VAL 19 -18.478 3.698 -14.618
165 HG23 VAL 19 2HG2 VAL 19 -17.087 4.589 -15.237
166 H LYS 20 H LYS 20 -13.726 3.950 -13.773
167 HA LYS 20 HA LYS 20 -13.850 6.136 -15.578
168 HB2 LYS 20 2HB LYS 20 -13.287 6.543 -13.278
169 HB3 LYS 20 3HB LYS 20 -11.909 5.453 -13.367
170 HG2 LYS 20 2HG LYS 20 -11.929 7.739 -15.243
171 HG3 LYS 20 3HG LYS 20 -11.677 8.100 -13.533
172 HD2 LYS 20 2HD LYS 20 -9.654 7.064 -13.474
173 HD3 LYS 20 3HD LYS 20 -10.117 5.855 -14.674
174 HE2 LYS 20 2HE LYS 20 -8.513 7.179 -15.753
175 HE3 LYS 20 3HE LYS 20 -10.058 7.766 -16.365
176 HZ1 LYS 20 3HZ LYS 20 -8.138 9.342 -15.379
177 HZ2 LYS 20 1HZ LYS 20 -9.084 9.112 -13.995
178 HZ3 LYS 20 2HZ LYS 20 -9.779 9.754 -15.397
179 H LYS 21 H LYS 21 -12.048 3.222 -15.544
180 HA LYS 21 HA LYS 21 -9.876 4.174 -17.178
181 HB2 LYS 21 2HB LYS 21 -9.537 2.313 -15.626
182 HB3 LYS 21 3HB LYS 21 -10.744 1.362 -16.481
183 HG2 LYS 21 2HG LYS 21 -8.462 0.696 -17.056
184 HG3 LYS 21 3HG LYS 21 -9.347 1.305 -18.457
185 HD2 LYS 21 2HD LYS 21 -8.073 3.202 -18.608
186 HD3 LYS 21 3HD LYS 21 -7.713 3.228 -16.880
187 HE2 LYS 21 2HE LYS 21 -6.595 1.202 -18.810
188 HE3 LYS 21 3HE LYS 21 -5.762 2.684 -18.346
189 HZ1 LYS 21 3HZ LYS 21 -5.912 1.911 -16.011
190 HZ2 LYS 21 1HZ LYS 21 -4.963 0.912 -16.994
191 HZ3 LYS 21 2HZ LYS 21 -6.529 0.437 -16.567
192 H LYS 22 H LYS 22 -12.801 2.236 -17.684
193 HA LYS 22 HA LYS 22 -12.330 1.856 -20.477
194 HB2 LYS 22 2HB LYS 22 -14.807 1.505 -18.784
195 HB3 LYS 22 3HB LYS 22 -14.719 1.077 -20.487
196 HG2 LYS 22 2HG LYS 22 -13.143 -0.633 -20.075
197 HG3 LYS 22 3HG LYS 22 -12.858 -0.069 -18.426
198 HD2 LYS 22 2HD LYS 22 -14.771 -1.018 -17.627
199 HD3 LYS 22 3HD LYS 22 -15.634 -0.825 -19.154
200 HE2 LYS 22 2HE LYS 22 -15.193 -3.182 -18.642
201 HE3 LYS 22 3HE LYS 22 -14.381 -2.667 -20.120
202 HZ1 LYS 22 3HZ LYS 22 -12.377 -3.032 -19.233
203 HZ2 LYS 22 1HZ LYS 22 -13.195 -3.973 -18.089
204 HZ3 LYS 22 2HZ LYS 22 -12.791 -2.369 -17.733
205 H GLN 23 H GLN 23 -13.636 4.393 -18.581
206 HA GLN 23 HA GLN 23 -15.412 5.551 -20.434
207 HB2 GLN 23 2HB GLN 23 -13.867 6.621 -18.091
208 HB3 GLN 23 3HB GLN 23 -14.818 7.698 -19.105
209 HG2 GLN 23 2HG GLN 23 -16.148 5.263 -18.069
210 HG3 GLN 23 3HG GLN 23 -15.797 6.558 -16.926
211 HE21 GLN 23 1HE2 GLN 23 -18.226 6.431 -16.870
212 HE22 GLN 23 2HE2 GLN 23 -19.085 7.450 -17.968
213 H GLU 24 H GLU 24 -14.942 6.268 -22.396
214 HA GLU 24 HA GLU 24 -12.317 6.771 -23.308
215 HB2 GLU 24 2HB GLU 24 -14.928 7.661 -24.547
216 HB3 GLU 24 3HB GLU 24 -13.374 7.556 -25.362
217 HG2 GLU 24 2HG GLU 24 -13.358 5.174 -25.170
218 HG3 GLU 24 3HG GLU 24 -14.797 5.200 -24.153
219 H GLN 25 H GLN 25 -11.139 8.383 -22.483
220 HA GLN 25 HA GLN 25 -12.276 10.847 -21.585
221 HB2 GLN 25 2HB GLN 25 -9.533 9.700 -21.778
222 HB3 GLN 25 3HB GLN 25 -9.687 11.445 -21.621
223 HG2 GLN 25 2HG GLN 25 -10.751 9.369 -19.721
224 HG3 GLN 25 3HG GLN 25 -9.380 10.445 -19.455
225 HE21 GLN 25 1HE2 GLN 25 -9.734 12.564 -18.907
226 HE22 GLN 25 2HE2 GLN 25 -11.290 13.179 -18.474
227 HA PRO 26 HA PRO 26 -12.094 13.352 -25.180
228 HB2 PRO 26 2HB PRO 26 -11.201 15.722 -24.202
229 HB3 PRO 26 3HB PRO 26 -12.826 15.103 -23.884
230 HG2 PRO 26 2HG PRO 26 -10.390 15.007 -22.148
231 HG3 PRO 26 3HG PRO 26 -12.065 15.382 -21.705
232 HD2 PRO 26 2HD PRO 26 -10.950 12.954 -21.265
233 HD3 PRO 26 3HD PRO 26 -12.675 13.160 -21.631
Start of MODEL 20
1 H1 VAL 1 H VAL 1 2.673 0.471 0.062
2 HA VAL 1 HA VAL 1 2.481 0.688 -2.722
3 HB VAL 1 HB VAL 1 4.568 1.053 -1.428
4 HG11 VAL 1 1HG1 VAL 1 4.068 -1.348 -0.283
5 HG12 VAL 1 2HG1 VAL 1 5.287 -1.797 -1.477
6 HG13 VAL 1 3HG1 VAL 1 5.642 -0.554 -0.276
7 HG21 VAL 1 3HG2 VAL 1 4.468 0.588 -3.923
8 HG22 VAL 1 1HG2 VAL 1 6.027 0.339 -3.137
9 HG23 VAL 1 2HG2 VAL 1 5.009 -1.045 -3.537
10 H SER 2 H SER 2 2.097 -2.034 -0.611
11 HA SER 2 HA SER 2 2.428 -4.017 -2.674
12 HB2 SER 2 2HB SER 2 2.969 -4.561 -0.345
13 HB3 SER 2 3HB SER 2 1.297 -4.258 0.125
14 HG SER 2 HG SER 2 2.315 -6.330 -1.509
15 H VAL 3 H VAL 3 -0.107 -2.019 -1.537
16 HA VAL 3 HA VAL 3 -2.257 -3.718 -2.449
17 HB VAL 3 HB VAL 3 -2.358 -0.804 -1.657
18 HG11 VAL 3 1HG1 VAL 3 -4.428 -0.960 -2.487
19 HG12 VAL 3 2HG1 VAL 3 -4.346 -2.719 -2.597
20 HG13 VAL 3 3HG1 VAL 3 -4.783 -1.950 -1.071
21 HG21 VAL 3 3HG2 VAL 3 -1.519 -2.022 0.211
22 HG22 VAL 3 1HG2 VAL 3 -3.231 -1.722 0.511
23 HG23 VAL 3 2HG2 VAL 3 -2.695 -3.314 -0.025
24 H ASP 4 H ASP 4 -0.208 -1.300 -3.785
25 HA ASP 4 HA ASP 4 -1.832 -0.271 -5.819
26 HB2 ASP 4 2HB ASP 4 0.897 -0.103 -5.057
27 HB3 ASP 4 3HB ASP 4 0.858 -0.523 -6.767
28 HA PRO 5 HA PRO 5 -0.082 -3.814 -8.623
29 HB2 PRO 5 2HB PRO 5 1.065 -5.918 -7.349
30 HB3 PRO 5 3HB PRO 5 1.980 -4.502 -7.879
31 HG2 PRO 5 2HG PRO 5 0.922 -5.164 -5.158
32 HG3 PRO 5 3HG PRO 5 2.500 -4.496 -5.613
33 HD2 PRO 5 2HD PRO 5 0.488 -2.957 -4.656
34 HD3 PRO 5 3HD PRO 5 1.671 -2.357 -5.835
35 H PHE 6 H PHE 6 -1.316 -4.729 -5.441
36 HA PHE 6 HA PHE 6 -2.617 -7.097 -6.154
37 HB2 PHE 6 2HB PHE 6 -2.230 -6.217 -3.816
38 HB3 PHE 6 3HB PHE 6 -3.592 -5.131 -4.077
39 HD1 PHE 6 HD1 PHE 6 -2.614 -8.693 -3.902
40 HD2 PHE 6 HD2 PHE 6 -5.802 -5.874 -3.812
41 HE1 PHE 6 HE1 PHE 6 -4.158 -10.467 -3.177
42 HE2 PHE 6 HE2 PHE 6 -7.350 -7.642 -3.086
43 HZ PHE 6 HZ PHE 6 -6.529 -9.942 -2.767
44 H TYR 7 H TYR 7 -4.072 -3.862 -5.752
45 HA TYR 7 HA TYR 7 -6.544 -4.611 -6.925
46 HB2 TYR 7 2HB TYR 7 -7.233 -2.561 -6.281
47 HB3 TYR 7 3HB TYR 7 -5.689 -2.484 -5.438
48 HD1 TYR 7 HD2 TYR 7 -3.804 -1.224 -6.419
49 HD2 TYR 7 HD1 TYR 7 -7.663 -1.210 -8.211
50 HE1 TYR 7 HE2 TYR 7 -3.176 0.752 -7.741
51 HE2 TYR 7 HE1 TYR 7 -7.045 0.766 -9.539
52 HH TYR 7 HH TYR 7 -4.672 1.743 -10.390
53 H GLU 8 H GLU 8 -3.513 -3.705 -8.231
54 HA GLU 8 HA GLU 8 -4.493 -2.689 -10.728
55 HB2 GLU 8 2HB GLU 8 -1.845 -3.285 -9.538
56 HB3 GLU 8 3HB GLU 8 -1.942 -3.344 -11.293
57 HG2 GLU 8 2HG GLU 8 -2.873 -0.995 -9.669
58 HG3 GLU 8 3HG GLU 8 -1.240 -1.147 -10.314
59 H MET 9 H MET 9 -3.174 -5.774 -9.596
60 HA MET 9 HA MET 9 -3.389 -7.014 -12.180
61 HB2 MET 9 2HB MET 9 -2.660 -9.033 -11.075
62 HB3 MET 9 3HB MET 9 -1.684 -7.685 -10.506
63 HG2 MET 9 2HG MET 9 -3.060 -7.565 -8.478
64 HG3 MET 9 3HG MET 9 -3.991 -8.949 -9.046
65 HE1 MET 9 3HE MET 9 -0.855 -7.705 -7.219
66 HE2 MET 9 1HE MET 9 0.327 -8.988 -7.474
67 HE3 MET 9 2HE MET 9 -0.164 -7.961 -8.821
68 H LEU 10 H LEU 10 -5.268 -6.985 -9.195
69 HA LEU 10 HA LEU 10 -7.155 -8.941 -10.129
70 HB2 LEU 10 2HB LEU 10 -6.693 -7.385 -7.694
71 HB3 LEU 10 3HB LEU 10 -8.395 -7.652 -8.062
72 HG LEU 10 HG LEU 10 -7.629 -9.351 -6.543
73 HD11 LEU 10 1HD1 LEU 10 -8.423 -11.238 -7.659
74 HD12 LEU 10 2HD1 LEU 10 -7.767 -10.713 -9.210
75 HD13 LEU 10 3HD1 LEU 10 -9.167 -9.891 -8.521
76 HD21 LEU 10 3HD2 LEU 10 -5.797 -10.797 -6.962
77 HD22 LEU 10 1HD2 LEU 10 -5.215 -9.154 -7.228
78 HD23 LEU 10 2HD2 LEU 10 -5.601 -10.186 -8.606
79 H ALA 11 H ALA 11 -8.809 -8.586 -11.444
80 HA ALA 11 HA ALA 11 -9.477 -5.909 -12.274
81 HB1 ALA 11 1HB ALA 11 -11.074 -8.287 -13.101
82 HB2 ALA 11 2HB ALA 11 -10.602 -6.866 -14.033
83 HB3 ALA 11 3HB ALA 11 -9.414 -8.120 -13.675
84 H ALA 12 H ALA 12 -10.638 -8.158 -9.960
85 HA ALA 12 HA ALA 12 -13.316 -7.103 -9.822
86 HB1 ALA 12 1HB ALA 12 -11.878 -8.901 -7.874
87 HB2 ALA 12 2HB ALA 12 -13.615 -8.601 -7.948
88 HB3 ALA 12 3HB ALA 12 -12.810 -9.451 -9.267
89 H ARG 13 H ARG 13 -10.254 -6.311 -8.492
90 HA ARG 13 HA ARG 13 -11.215 -4.987 -6.141
91 HB2 ARG 13 2HB ARG 13 -8.604 -5.323 -7.507
92 HB3 ARG 13 3HB ARG 13 -8.780 -3.899 -6.490
93 HG2 ARG 13 2HG ARG 13 -9.189 -6.755 -5.625
94 HG3 ARG 13 3HG ARG 13 -7.794 -5.740 -5.254
95 HD2 ARG 13 2HD ARG 13 -10.598 -5.556 -4.231
96 HD3 ARG 13 3HD ARG 13 -9.082 -5.575 -3.332
97 HE ARG 13 HE ARG 13 -10.435 -3.288 -4.330
98 HH11 ARG 13 1HH1 ARG 13 -7.259 -4.598 -3.770
99 HH12 ARG 13 2HH1 ARG 13 -6.508 -3.046 -3.592
100 HH21 ARG 13 1HH2 ARG 13 -9.459 -1.240 -4.098
101 HH22 ARG 13 2HH2 ARG 13 -7.760 -1.137 -3.778
102 H LYS 14 H LYS 14 -10.154 -3.936 -9.356
103 HA LYS 14 HA LYS 14 -10.365 -1.174 -8.940
104 HB2 LYS 14 2HB LYS 14 -10.792 -2.728 -11.499
105 HB3 LYS 14 3HB LYS 14 -10.493 -0.999 -11.392
106 HG2 LYS 14 2HG LYS 14 -8.279 -1.351 -10.593
107 HG3 LYS 14 3HG LYS 14 -8.567 -3.081 -10.390
108 HD2 LYS 14 2HD LYS 14 -7.340 -2.890 -12.388
109 HD3 LYS 14 3HD LYS 14 -9.012 -3.140 -12.896
110 HE2 LYS 14 2HE LYS 14 -8.206 -1.405 -14.262
111 HE3 LYS 14 3HE LYS 14 -9.184 -0.606 -13.032
112 HZ1 LYS 14 3HZ LYS 14 -6.280 -0.578 -13.405
113 HZ2 LYS 14 1HZ LYS 14 -6.878 -0.464 -11.827
114 HZ3 LYS 14 2HZ LYS 14 -7.325 0.683 -12.985
115 H LYS 15 H LYS 15 -12.202 -0.519 -7.904
116 HA LYS 15 HA LYS 15 -14.813 -1.355 -8.805
117 HB2 LYS 15 2HB LYS 15 -13.930 0.655 -6.730
118 HB3 LYS 15 3HB LYS 15 -15.613 0.270 -7.066
119 HG2 LYS 15 2HG LYS 15 -15.523 -1.480 -5.717
120 HG3 LYS 15 3HG LYS 15 -14.161 -2.151 -6.617
121 HD2 LYS 15 2HD LYS 15 -13.233 -1.898 -4.525
122 HD3 LYS 15 3HD LYS 15 -12.788 -0.366 -5.281
123 HE2 LYS 15 2HE LYS 15 -14.865 0.617 -4.265
124 HE3 LYS 15 3HE LYS 15 -15.053 -0.886 -3.363
125 HZ1 LYS 15 3HZ LYS 15 -13.840 1.076 -2.265
126 HZ2 LYS 15 1HZ LYS 15 -12.525 0.624 -3.230
127 HZ3 LYS 15 2HZ LYS 15 -13.171 -0.471 -2.115
128 H ARG 16 H ARG 16 -13.713 1.962 -8.177
129 HA ARG 16 HA ARG 16 -15.373 2.953 -10.315
130 HB2 ARG 16 2HB ARG 16 -14.641 4.017 -7.952
131 HB3 ARG 16 3HB ARG 16 -13.428 4.754 -8.990
132 HG2 ARG 16 2HG ARG 16 -15.472 5.367 -10.481
133 HG3 ARG 16 3HG ARG 16 -16.388 5.102 -8.996
134 HD2 ARG 16 2HD ARG 16 -14.381 6.639 -8.058
135 HD3 ARG 16 3HD ARG 16 -14.498 7.251 -9.707
136 HE ARG 16 HE ARG 16 -16.472 8.253 -9.148
137 HH11 ARG 16 1HH1 ARG 16 -15.738 5.812 -6.777
138 HH12 ARG 16 2HH1 ARG 16 -17.049 6.248 -5.731
139 HH21 ARG 16 1HH2 ARG 16 -18.201 8.836 -7.780
140 HH22 ARG 16 2HH2 ARG 16 -18.450 7.968 -6.303
141 H ILE 17 H ILE 17 -11.928 2.555 -9.688
142 HA ILE 17 HA ILE 17 -10.908 3.986 -11.853
143 HB ILE 17 HB ILE 17 -8.975 2.297 -11.706
144 HG12 ILE 17 2HG1 ILE 17 -10.827 0.795 -10.344
145 HG13 ILE 17 3HG1 ILE 17 -9.085 0.546 -10.291
146 HG21 ILE 17 1HG2 ILE 17 -9.846 3.966 -9.357
147 HG22 ILE 17 2HG2 ILE 17 -8.240 3.256 -9.514
148 HG23 ILE 17 3HG2 ILE 17 -8.797 4.446 -10.690
149 HD11 ILE 17 3HD1 ILE 17 -10.558 2.321 -8.368
150 HD12 ILE 17 1HD1 ILE 17 -10.237 0.613 -8.073
151 HD13 ILE 17 2HD1 ILE 17 -8.896 1.744 -8.256
152 H SER 18 H SER 18 -12.182 0.715 -11.665
153 HA SER 18 HA SER 18 -11.306 -0.255 -14.133
154 HB2 SER 18 2HB SER 18 -12.232 -1.884 -12.743
155 HB3 SER 18 3HB SER 18 -13.645 -0.899 -12.363
156 HG SER 18 HG SER 18 -13.504 -2.781 -14.151
157 H VAL 19 H VAL 19 -14.564 1.001 -13.386
158 HA VAL 19 HA VAL 19 -15.361 1.207 -16.084
159 HB VAL 19 HB VAL 19 -16.959 1.112 -14.205
160 HG11 VAL 19 1HG1 VAL 19 -17.361 2.961 -12.771
161 HG12 VAL 19 2HG1 VAL 19 -15.621 2.665 -12.740
162 HG13 VAL 19 3HG1 VAL 19 -16.274 3.998 -13.693
163 HG21 VAL 19 3HG2 VAL 19 -17.633 3.700 -15.451
164 HG22 VAL 19 1HG2 VAL 19 -17.257 2.380 -16.558
165 HG23 VAL 19 2HG2 VAL 19 -18.556 2.199 -15.379
166 H LYS 20 H LYS 20 -13.891 3.504 -13.850
167 HA LYS 20 HA LYS 20 -14.183 5.817 -15.420
168 HB2 LYS 20 2HB LYS 20 -13.585 5.993 -13.091
169 HB3 LYS 20 3HB LYS 20 -12.108 5.075 -13.353
170 HG2 LYS 20 2HG LYS 20 -12.393 7.521 -14.967
171 HG3 LYS 20 3HG LYS 20 -12.210 7.757 -13.227
172 HD2 LYS 20 2HD LYS 20 -10.378 5.833 -14.551
173 HD3 LYS 20 3HD LYS 20 -10.122 7.551 -14.867
174 HE2 LYS 20 2HE LYS 20 -10.323 6.326 -12.119
175 HE3 LYS 20 3HE LYS 20 -8.806 6.670 -12.949
176 HZ1 LYS 20 3HZ LYS 20 -8.914 8.753 -12.250
177 HZ2 LYS 20 1HZ LYS 20 -10.328 8.400 -11.390
178 HZ3 LYS 20 2HZ LYS 20 -10.425 8.971 -12.979
179 H LYS 21 H LYS 21 -12.085 3.106 -15.709
180 HA LYS 21 HA LYS 21 -10.135 4.466 -17.356
181 HB2 LYS 21 2HB LYS 21 -9.469 2.606 -15.881
182 HB3 LYS 21 3HB LYS 21 -10.505 1.517 -16.794
183 HG2 LYS 21 2HG LYS 21 -8.494 3.013 -18.350
184 HG3 LYS 21 3HG LYS 21 -7.880 1.785 -17.240
185 HD2 LYS 21 2HD LYS 21 -9.848 0.377 -18.368
186 HD3 LYS 21 3HD LYS 21 -9.513 1.489 -19.697
187 HE2 LYS 21 2HE LYS 21 -7.503 -0.285 -18.313
188 HE3 LYS 21 3HE LYS 21 -8.205 -0.562 -19.907
189 HZ1 LYS 21 3HZ LYS 21 -6.439 1.688 -19.113
190 HZ2 LYS 21 1HZ LYS 21 -7.209 1.566 -20.615
191 HZ3 LYS 21 2HZ LYS 21 -6.054 0.416 -20.161
192 H LYS 22 H LYS 22 -12.598 1.944 -17.847
193 HA LYS 22 HA LYS 22 -12.270 1.663 -20.610
194 HB2 LYS 22 2HB LYS 22 -14.763 1.294 -18.937
195 HB3 LYS 22 3HB LYS 22 -14.565 0.722 -20.589
196 HG2 LYS 22 2HG LYS 22 -13.040 -0.915 -19.976
197 HG3 LYS 22 3HG LYS 22 -12.655 -0.121 -18.447
198 HD2 LYS 22 2HD LYS 22 -13.994 -2.062 -17.988
199 HD3 LYS 22 3HD LYS 22 -14.965 -0.623 -17.673
200 HE2 LYS 22 2HE LYS 22 -16.307 -2.235 -18.852
201 HE3 LYS 22 3HE LYS 22 -15.978 -0.871 -19.919
202 HZ1 LYS 22 3HZ LYS 22 -14.026 -2.968 -20.120
203 HZ2 LYS 22 1HZ LYS 22 -14.881 -2.167 -21.341
204 HZ3 LYS 22 2HZ LYS 22 -15.585 -3.477 -20.536
205 H GLN 23 H GLN 23 -14.344 3.841 -18.744
206 HA GLN 23 HA GLN 23 -15.775 4.950 -20.875
207 HB2 GLN 23 2HB GLN 23 -16.417 6.675 -19.384
208 HB3 GLN 23 3HB GLN 23 -16.226 5.232 -18.398
209 HG2 GLN 23 2HG GLN 23 -14.806 6.300 -17.092
210 HG3 GLN 23 3HG GLN 23 -13.733 6.572 -18.463
211 HE21 GLN 23 1HE2 GLN 23 -16.364 7.893 -16.579
212 HE22 GLN 23 2HE2 GLN 23 -16.146 9.536 -17.067
213 H GLU 24 H GLU 24 -15.518 6.902 -22.025
214 HA GLU 24 HA GLU 24 -12.886 7.395 -22.937
215 HB2 GLU 24 2HB GLU 24 -15.391 9.042 -23.331
216 HB3 GLU 24 3HB GLU 24 -13.900 9.219 -24.246
217 HG2 GLU 24 2HG GLU 24 -14.161 6.951 -25.113
218 HG3 GLU 24 3HG GLU 24 -15.657 6.776 -24.198
219 H GLN 25 H GLN 25 -11.367 8.403 -21.808
220 HA GLN 25 HA GLN 25 -11.842 10.052 -19.581
221 HB2 GLN 25 2HB GLN 25 -9.468 9.366 -21.245
222 HB3 GLN 25 3HB GLN 25 -9.350 10.763 -20.184
223 HG2 GLN 25 2HG GLN 25 -8.553 9.113 -18.823
224 HG3 GLN 25 3HG GLN 25 -10.260 9.111 -18.383
225 HE21 GLN 25 1HE2 GLN 25 -8.974 6.923 -17.743
226 HE22 GLN 25 2HE2 GLN 25 -9.328 5.616 -18.816
227 HA PRO 26 HA PRO 26 -12.530 14.072 -21.192
228 HB2 PRO 26 2HB PRO 26 -11.092 15.637 -19.504
229 HB3 PRO 26 3HB PRO 26 -12.589 14.830 -19.024
230 HG2 PRO 26 2HG PRO 26 -9.752 14.014 -18.524
231 HG3 PRO 26 3HG PRO 26 -11.137 13.982 -17.417
232 HD2 PRO 26 2HD PRO 26 -10.240 11.768 -18.693
233 HD3 PRO 26 3HD PRO 26 -11.952 12.012 -18.295