NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
578298 |
2mlu   |
19832 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 1.808 -0.000 0.855
2 HA MET 1 HA MET 1 2.957 0.631 -1.100
3 HB2 MET 1 2HB MET 1 2.508 -2.022 -0.684
4 HB3 MET 1 3HB MET 1 1.905 -1.835 -2.325
5 HG2 MET 1 2HG MET 1 4.157 -0.618 -2.738
6 HG3 MET 1 3HG MET 1 4.668 -1.450 -1.271
7 HE1 MET 1 3HE MET 1 5.412 -4.655 -1.803
8 HE2 MET 1 1HE MET 1 4.308 -3.708 -0.805
9 HE3 MET 1 2HE MET 1 3.673 -4.941 -1.895
10 H LYS 2 H LYS 2 -0.333 -0.486 -1.784
11 HA LYS 2 HA LYS 2 -0.657 1.628 -3.732
12 HB2 LYS 2 2HB LYS 2 -0.599 -1.277 -4.488
13 HB3 LYS 2 3HB LYS 2 -1.598 -0.145 -5.390
14 HG2 LYS 2 2HG LYS 2 0.791 1.163 -5.321
15 HG3 LYS 2 3HG LYS 2 1.300 -0.525 -5.404
16 HD2 LYS 2 2HD LYS 2 -0.232 -0.819 -7.349
17 HD3 LYS 2 3HD LYS 2 -0.545 0.917 -7.306
18 HE2 LYS 2 2HE LYS 2 2.031 1.136 -7.434
19 HE3 LYS 2 3HE LYS 2 1.983 -0.535 -7.994
20 HZ1 LYS 2 3HZ LYS 2 1.382 0.148 -9.998
21 HZ2 LYS 2 1HZ LYS 2 1.587 1.751 -9.498
22 HZ3 LYS 2 2HZ LYS 2 0.068 1.016 -9.381
23 H THR 3 H THR 3 -2.411 2.515 -2.823
24 HA THR 3 HA THR 3 -4.376 1.265 -1.330
25 HB THR 3 HB THR 3 -5.651 3.377 -2.729
26 HG1 THR 3 HG1 THR 3 -4.111 4.986 -2.679
27 HG21 THR 3 1HG2 THR 3 -6.063 2.995 -0.422
28 HG22 THR 3 2HG2 THR 3 -5.264 4.563 -0.527
29 HG23 THR 3 3HG2 THR 3 -4.352 3.141 -0.021
30 H ILE 4 H ILE 4 -4.002 1.438 -4.783
31 HA ILE 4 HA ILE 4 -6.628 0.849 -5.579
32 HB ILE 4 HB ILE 4 -5.669 0.076 -7.687
33 HG12 ILE 4 2HG1 ILE 4 -2.921 0.568 -7.381
34 HG13 ILE 4 3HG1 ILE 4 -3.372 -0.433 -6.005
35 HG21 ILE 4 1HG2 ILE 4 -5.718 2.564 -6.866
36 HG22 ILE 4 2HG2 ILE 4 -3.964 2.404 -6.941
37 HG23 ILE 4 3HG2 ILE 4 -4.936 2.136 -8.388
38 HD11 ILE 4 3HD1 ILE 4 -3.584 -1.058 -8.925
39 HD12 ILE 4 1HD1 ILE 4 -2.726 -1.939 -7.660
40 HD13 ILE 4 2HD1 ILE 4 -4.489 -1.961 -7.710
41 H LEU 5 H LEU 5 -4.134 -1.140 -4.228
42 HA LEU 5 HA LEU 5 -4.906 -3.666 -5.110
43 HB2 LEU 5 2HB LEU 5 -3.786 -2.893 -2.420
44 HB3 LEU 5 3HB LEU 5 -3.818 -4.524 -3.087
45 HG LEU 5 HG LEU 5 -2.333 -2.254 -4.394
46 HD11 LEU 5 1HD1 LEU 5 -1.713 -3.202 -1.918
47 HD12 LEU 5 2HD1 LEU 5 -0.554 -2.525 -3.062
48 HD13 LEU 5 3HD1 LEU 5 -0.773 -4.272 -2.958
49 HD21 LEU 5 3HD2 LEU 5 -1.813 -5.200 -4.623
50 HD22 LEU 5 1HD2 LEU 5 -1.306 -3.897 -5.698
51 HD23 LEU 5 2HD2 LEU 5 -3.000 -4.388 -5.646
52 H ARG 6 H ARG 6 -6.032 -1.801 -2.310
53 HA ARG 6 HA ARG 6 -7.700 -3.700 -1.162
54 HB2 ARG 6 2HB ARG 6 -7.989 -0.695 -1.286
55 HB3 ARG 6 3HB ARG 6 -8.977 -1.733 -0.266
56 HG2 ARG 6 2HG ARG 6 -6.841 -2.543 0.789
57 HG3 ARG 6 3HG ARG 6 -6.017 -1.251 -0.087
58 HD2 ARG 6 2HD ARG 6 -7.514 0.388 0.996
59 HD3 ARG 6 3HD ARG 6 -8.245 -0.924 1.920
60 HE ARG 6 HE ARG 6 -6.437 -0.892 3.318
61 HH11 ARG 6 1HH1 ARG 6 -5.628 0.797 0.383
62 HH12 ARG 6 2HH1 ARG 6 -4.103 1.365 0.976
63 HH21 ARG 6 1HH2 ARG 6 -4.431 -0.150 4.110
64 HH22 ARG 6 2HH2 ARG 6 -3.422 0.825 3.096
65 H PHE 7 H PHE 7 -8.180 -1.688 -3.974
66 HA PHE 7 HA PHE 7 -10.996 -2.136 -4.184
67 HB2 PHE 7 2HB PHE 7 -8.976 -1.173 -6.218
68 HB3 PHE 7 3HB PHE 7 -10.717 -1.190 -6.475
69 HD1 PHE 7 HD2 PHE 7 -8.054 0.231 -4.327
70 HD2 PHE 7 HD1 PHE 7 -12.054 0.576 -5.740
71 HE1 PHE 7 HE2 PHE 7 -8.223 2.457 -3.293
72 HE2 PHE 7 HE1 PHE 7 -12.230 2.804 -4.709
73 HZ PHE 7 HZ PHE 7 -10.313 3.746 -3.483
74 H VAL 8 H VAL 8 -8.276 -3.268 -6.200
75 HA VAL 8 HA VAL 8 -9.719 -5.136 -7.683
76 HB VAL 8 HB VAL 8 -7.403 -4.339 -8.200
77 HG11 VAL 8 1HG1 VAL 8 -6.626 -6.347 -6.087
78 HG12 VAL 8 2HG1 VAL 8 -5.513 -5.520 -7.180
79 HG13 VAL 8 3HG1 VAL 8 -6.426 -4.598 -5.985
80 HG21 VAL 8 3HG2 VAL 8 -7.893 -7.314 -8.158
81 HG22 VAL 8 1HG2 VAL 8 -8.326 -6.181 -9.439
82 HG23 VAL 8 2HG2 VAL 8 -6.630 -6.523 -9.099
83 H ALA 9 H ALA 9 -8.345 -5.343 -4.484
84 HA ALA 9 HA ALA 9 -8.238 -8.102 -4.130
85 HB1 ALA 9 3HB ALA 9 -7.321 -6.488 -2.531
86 HB2 ALA 9 1HB ALA 9 -8.957 -6.018 -2.071
87 HB3 ALA 9 2HB ALA 9 -8.384 -7.653 -1.743
88 H GLY 10 H GLY 10 -10.966 -5.984 -4.344
89 HA2 GLY 10 2HA GLY 10 -12.797 -7.889 -3.134
90 HA3 GLY 10 3HA GLY 10 -13.217 -6.325 -3.817
91 H TYR 11 H TYR 11 -11.900 -6.796 -6.353
92 HA TYR 11 HA TYR 11 -14.006 -7.829 -7.830
93 HB2 TYR 11 2HB TYR 11 -12.353 -6.427 -8.878
94 HB3 TYR 11 3HB TYR 11 -11.077 -7.592 -8.539
95 HD1 TYR 11 HD2 TYR 11 -14.483 -8.197 -9.915
96 HD2 TYR 11 HD1 TYR 11 -10.293 -8.203 -10.651
97 HE1 TYR 11 HE2 TYR 11 -14.875 -9.254 -12.101
98 HE2 TYR 11 HE1 TYR 11 -10.673 -9.259 -12.840
99 HH TYR 11 HH TYR 11 -12.551 -10.752 -13.862
100 H ASP 12 H ASP 12 -10.958 -9.427 -6.926
101 HA ASP 12 HA ASP 12 -11.380 -11.875 -8.153
102 HB2 ASP 12 2HB ASP 12 -9.325 -10.960 -6.834
103 HB3 ASP 12 3HB ASP 12 -10.094 -11.722 -5.445
104 H ILE 13 H ILE 13 -12.793 -10.567 -5.258
105 HA ILE 13 HA ILE 13 -13.874 -13.120 -4.408
106 HB ILE 13 HB ILE 13 -14.515 -10.381 -3.316
107 HG12 ILE 13 2HG1 ILE 13 -12.112 -10.757 -3.176
108 HG13 ILE 13 3HG1 ILE 13 -12.831 -10.886 -1.574
109 HG21 ILE 13 1HG2 ILE 13 -16.138 -11.993 -2.640
110 HG22 ILE 13 2HG2 ILE 13 -14.887 -13.168 -2.239
111 HG23 ILE 13 3HG2 ILE 13 -15.068 -11.707 -1.268
112 HD11 ILE 13 3HD1 ILE 13 -11.780 -12.819 -1.363
113 HD12 ILE 13 1HD1 ILE 13 -12.869 -13.475 -2.585
114 HD13 ILE 13 2HD1 ILE 13 -11.304 -12.814 -3.061
115 H ALA 14 H ALA 14 -14.923 -10.251 -6.109
116 HA ALA 14 HA ALA 14 -17.716 -10.846 -6.003
117 HB1 ALA 14 3HB ALA 14 -16.008 -8.805 -7.233
118 HB2 ALA 14 1HB ALA 14 -17.465 -9.195 -8.147
119 HB3 ALA 14 2HB ALA 14 -17.592 -8.656 -6.473
120 H SER 15 H SER 15 -15.077 -11.806 -8.029
121 HA SER 15 HA SER 15 -16.558 -12.569 -10.318
122 HB2 SER 15 2HB SER 15 -13.811 -12.964 -9.307
123 HB3 SER 15 3HB SER 15 -14.395 -14.217 -10.402
124 HG SER 15 HG SER 15 -13.350 -12.108 -11.220
125 H HIS 16 H HIS 16 -15.904 -14.107 -7.266
126 HA HIS 16 HA HIS 16 -16.956 -16.665 -8.199
127 HB2 HIS 16 2HB HIS 16 -15.775 -15.810 -5.551
128 HB3 HIS 16 3HB HIS 16 -16.400 -17.425 -5.871
129 HD1 HIS 16 HD1 HIS 16 -13.486 -17.136 -5.096
130 HD2 HIS 16 HD2 HIS 16 -14.813 -17.065 -9.032
131 HE1 HIS 16 HE1 HIS 16 -11.495 -17.785 -6.488
132 H LYS 17 H LYS 17 -17.724 -14.084 -5.908
133 HA LYS 17 HA LYS 17 -19.996 -15.238 -4.751
134 HB2 LYS 17 2HB LYS 17 -19.164 -12.375 -5.176
135 HB3 LYS 17 3HB LYS 17 -20.665 -12.790 -4.360
136 HG2 LYS 17 2HG LYS 17 -18.003 -13.851 -3.465
137 HG3 LYS 17 3HG LYS 17 -18.660 -12.315 -2.893
138 HD2 LYS 17 2HD LYS 17 -20.740 -13.628 -2.240
139 HD3 LYS 17 3HD LYS 17 -19.777 -15.083 -2.511
140 HE2 LYS 17 2HE LYS 17 -18.658 -12.940 -0.775
141 HE3 LYS 17 3HE LYS 17 -19.945 -13.955 -0.128
142 HZ1 LYS 17 3HZ LYS 17 -18.121 -15.164 0.457
143 HZ2 LYS 17 1HZ LYS 17 -17.209 -14.680 -0.882
144 HZ3 LYS 17 2HZ LYS 17 -18.420 -15.847 -1.062
145 H LYS 18 H LYS 18 -20.134 -12.514 -7.037
146 HA LYS 18 HA LYS 18 -21.870 -13.812 -8.866
147 HB2 LYS 18 2HB LYS 18 -23.926 -12.557 -8.398
148 HB3 LYS 18 3HB LYS 18 -23.481 -13.586 -7.043
149 HG2 LYS 18 2HG LYS 18 -22.409 -11.541 -6.012
150 HG3 LYS 18 3HG LYS 18 -23.218 -10.604 -7.270
151 HD2 LYS 18 2HD LYS 18 -25.348 -11.866 -6.457
152 HD3 LYS 18 3HD LYS 18 -24.399 -12.144 -4.994
153 HE2 LYS 18 2HE LYS 18 -23.961 -9.526 -5.289
154 HE3 LYS 18 3HE LYS 18 -25.530 -9.632 -6.087
155 HZ1 LYS 18 3HZ LYS 18 -25.736 -11.099 -3.749
156 HZ2 LYS 18 1HZ LYS 18 -26.449 -9.602 -4.088
157 HZ3 LYS 18 2HZ LYS 18 -24.941 -9.668 -3.324
158 H LYS 19 H LYS 19 -22.435 -12.481 -10.651
159 HA LYS 19 HA LYS 19 -21.230 -9.802 -10.671
160 HB2 LYS 19 2HB LYS 19 -19.610 -11.319 -11.693
161 HB3 LYS 19 3HB LYS 19 -20.843 -11.925 -12.790
162 HG2 LYS 19 2HG LYS 19 -20.446 -9.017 -12.856
163 HG3 LYS 19 3HG LYS 19 -19.069 -9.979 -13.398
164 HD2 LYS 19 2HD LYS 19 -21.886 -10.328 -14.418
165 HD3 LYS 19 3HD LYS 19 -20.659 -9.341 -15.216
166 HE2 LYS 19 2HE LYS 19 -19.681 -11.997 -14.587
167 HE3 LYS 19 3HE LYS 19 -21.123 -12.050 -15.599
168 HZ1 LYS 19 3HZ LYS 19 -19.167 -11.957 -16.969
169 HZ2 LYS 19 1HZ LYS 19 -18.619 -10.563 -16.181
170 HZ3 LYS 19 2HZ LYS 19 -20.018 -10.503 -17.131
171 H THR 20 H THR 20 -22.780 -8.404 -11.146
172 HA THR 20 HA THR 20 -24.426 -8.740 -13.475
173 HB THR 20 HB THR 20 -26.524 -8.240 -11.903
174 HG1 THR 20 HG1 THR 20 -24.616 -9.505 -10.278
175 HG21 THR 20 1HG2 THR 20 -25.565 -10.431 -13.374
176 HG22 THR 20 2HG2 THR 20 -27.222 -10.136 -12.847
177 HG23 THR 20 3HG2 THR 20 -26.132 -11.089 -11.841
178 H GLY 21 H GLY 21 -23.520 -6.786 -14.125
179 HA2 GLY 21 2HA GLY 21 -24.902 -4.451 -13.485
180 HA3 GLY 21 3HA GLY 21 -23.431 -4.456 -12.523
181 H GLY 22 H GLY 22 -21.552 -5.463 -14.173
182 HA2 GLY 22 2HA GLY 22 -21.220 -5.000 -16.743
183 HA3 GLY 22 3HA GLY 22 -21.356 -3.341 -16.178
184 H TYR 23 H TYR 23 -19.740 -2.513 -14.756
185 HA TYR 23 HA TYR 23 -17.231 -4.058 -14.796
186 HB2 TYR 23 2HB TYR 23 -17.481 -1.057 -15.071
187 HB3 TYR 23 3HB TYR 23 -15.996 -1.998 -15.149
188 HD1 TYR 23 HD2 TYR 23 -19.188 -1.312 -16.894
189 HD2 TYR 23 HD1 TYR 23 -15.294 -3.002 -17.174
190 HE1 TYR 23 HE2 TYR 23 -19.467 -1.536 -19.327
191 HE2 TYR 23 HE1 TYR 23 -15.561 -3.230 -19.608
192 HH TYR 23 HH TYR 23 -17.350 -1.733 -21.410
193 HA PRO 24 HA PRO 24 -16.895 -3.439 -10.465
194 HB2 PRO 24 2HB PRO 24 -14.208 -3.201 -10.156
195 HB3 PRO 24 3HB PRO 24 -14.999 -4.734 -10.541
196 HG2 PRO 24 2HG PRO 24 -13.601 -2.814 -12.363
197 HG3 PRO 24 3HG PRO 24 -13.515 -4.584 -12.325
198 HD2 PRO 24 2HD PRO 24 -15.039 -3.239 -14.114
199 HD3 PRO 24 3HD PRO 24 -15.496 -4.832 -13.477
200 H TRP 25 H TRP 25 -15.381 -1.094 -12.587
201 HA TRP 25 HA TRP 25 -15.578 0.920 -10.444
202 HB2 TRP 25 2HB TRP 25 -13.656 1.937 -11.175
203 HB3 TRP 25 3HB TRP 25 -13.298 0.279 -11.651
204 HD1 TRP 25 HD1 TRP 25 -13.662 3.724 -13.045
205 HE1 TRP 25 HE1 TRP 25 -13.396 3.669 -15.605
206 HE3 TRP 25 HE3 TRP 25 -13.899 -1.330 -13.778
207 HZ2 TRP 25 HZ2 TRP 25 -13.301 1.739 -17.662
208 HZ3 TRP 25 HZ3 TRP 25 -13.713 -2.199 -16.072
209 HH2 TRP 25 HH2 TRP 25 -13.421 -0.695 -17.973
210 H GLU 26 H GLU 26 -16.370 0.101 -13.742
211 HA GLU 26 HA GLU 26 -17.699 2.689 -14.113
212 HB2 GLU 26 2HB GLU 26 -16.364 0.827 -15.875
213 HB3 GLU 26 3HB GLU 26 -17.994 1.158 -16.444
214 HG2 GLU 26 2HG GLU 26 -16.902 3.636 -15.717
215 HG3 GLU 26 3HG GLU 26 -15.648 2.783 -16.614
216 H ARG 27 H ARG 27 -19.478 2.295 -12.743
217 HA ARG 27 HA ARG 27 -21.192 0.027 -13.182
218 HB2 ARG 27 2HB ARG 27 -22.673 1.139 -11.533
219 HB3 ARG 27 3HB ARG 27 -21.025 0.945 -10.952
220 HG2 ARG 27 2HG ARG 27 -21.165 3.091 -10.375
221 HG3 ARG 27 3HG ARG 27 -20.947 3.428 -12.093
222 HD2 ARG 27 2HD ARG 27 -23.628 2.940 -11.949
223 HD3 ARG 27 3HD ARG 27 -23.318 3.717 -10.397
224 HE ARG 27 HE ARG 27 -22.059 5.276 -12.288
225 HH11 ARG 27 1HH1 ARG 27 -25.308 4.208 -11.638
226 HH12 ARG 27 2HH1 ARG 27 -26.048 5.616 -12.323
227 HH21 ARG 27 1HH2 ARG 27 -23.021 7.135 -13.193
228 HH22 ARG 27 2HH2 ARG 27 -24.746 7.281 -13.209
229 H GLY 28 H GLY 28 -20.983 3.301 -14.324
230 HA2 GLY 28 2HA GLY 28 -23.067 2.779 -16.260
231 HA3 GLY 28 3HA GLY 28 -23.472 4.021 -15.084
232 H LYS 29 H LYS 29 -23.455 5.814 -16.331
233 HA LYS 29 HA LYS 29 -21.398 6.301 -18.278
234 HB2 LYS 29 2HB LYS 29 -22.522 8.459 -18.605
235 HB3 LYS 29 3HB LYS 29 -23.667 7.125 -18.646
236 HG2 LYS 29 2HG LYS 29 -23.824 7.761 -16.048
237 HG3 LYS 29 3HG LYS 29 -23.400 9.339 -16.718
238 HD2 LYS 29 2HD LYS 29 -25.284 8.784 -18.444
239 HD3 LYS 29 3HD LYS 29 -25.826 7.660 -17.195
240 HE2 LYS 29 2HE LYS 29 -26.615 9.312 -15.910
241 HE3 LYS 29 3HE LYS 29 -25.171 10.296 -16.145
242 HZ1 LYS 29 3HZ LYS 29 -26.079 11.376 -17.906
243 HZ2 LYS 29 1HZ LYS 29 -27.507 11.026 -17.069
244 HZ3 LYS 29 2HZ LYS 29 -27.040 10.068 -18.382
245 H ALA 30 H ALA 30 -22.096 7.329 -14.994
246 HA ALA 30 HA ALA 30 -19.496 8.717 -14.948
247 HB1 ALA 30 3HB ALA 30 -20.617 10.067 -13.038
248 HB2 ALA 30 1HB ALA 30 -20.974 10.480 -14.715
249 HB3 ALA 30 2HB ALA 30 -22.125 9.528 -13.777
Start of MODEL 2
1 H1 MET 1 H MET 1 1.066 1.381 0.635
2 HA MET 1 HA MET 1 2.801 0.990 -0.975
3 HB2 MET 1 2HB MET 1 1.367 -1.588 -1.612
4 HB3 MET 1 3HB MET 1 2.947 -1.069 -2.186
5 HG2 MET 1 2HG MET 1 3.648 -1.095 0.269
6 HG3 MET 1 3HG MET 1 2.164 -2.005 0.548
7 HE1 MET 1 3HE MET 1 1.770 -4.177 0.262
8 HE2 MET 1 1HE MET 1 1.871 -4.478 -1.473
9 HE3 MET 1 2HE MET 1 2.833 -5.442 -0.353
10 H LYS 2 H LYS 2 -0.266 -0.531 -1.980
11 HA LYS 2 HA LYS 2 -0.731 1.743 -3.778
12 HB2 LYS 2 2HB LYS 2 -0.625 -1.169 -4.496
13 HB3 LYS 2 3HB LYS 2 -1.638 -0.064 -5.416
14 HG2 LYS 2 2HG LYS 2 0.662 1.314 -5.436
15 HG3 LYS 2 3HG LYS 2 1.296 -0.330 -5.336
16 HD2 LYS 2 2HD LYS 2 -0.458 -0.765 -7.252
17 HD3 LYS 2 3HD LYS 2 -0.289 0.974 -7.498
18 HE2 LYS 2 2HE LYS 2 2.235 0.534 -7.506
19 HE3 LYS 2 3HE LYS 2 1.808 -1.166 -7.701
20 HZ1 LYS 2 3HZ LYS 2 1.492 1.058 -9.578
21 HZ2 LYS 2 1HZ LYS 2 0.343 -0.183 -9.622
22 HZ3 LYS 2 2HZ LYS 2 1.979 -0.536 -9.866
23 H THR 3 H THR 3 -2.502 2.617 -2.889
24 HA THR 3 HA THR 3 -4.455 1.358 -1.388
25 HB THR 3 HB THR 3 -5.710 3.452 -2.875
26 HG1 THR 3 HG1 THR 3 -3.793 4.314 -3.492
27 HG21 THR 3 1HG2 THR 3 -6.416 3.405 -0.717
28 HG22 THR 3 2HG2 THR 3 -5.117 4.580 -0.510
29 HG23 THR 3 3HG2 THR 3 -4.847 2.886 -0.102
30 H ILE 4 H ILE 4 -4.068 1.490 -4.841
31 HA ILE 4 HA ILE 4 -6.681 0.851 -5.639
32 HB ILE 4 HB ILE 4 -5.702 0.064 -7.733
33 HG12 ILE 4 2HG1 ILE 4 -2.962 0.601 -7.422
34 HG13 ILE 4 3HG1 ILE 4 -3.406 -0.388 -6.036
35 HG21 ILE 4 1HG2 ILE 4 -5.273 2.156 -8.410
36 HG22 ILE 4 2HG2 ILE 4 -5.608 2.602 -6.739
37 HG23 ILE 4 3HG2 ILE 4 -3.945 2.356 -7.268
38 HD11 ILE 4 3HD1 ILE 4 -4.481 -1.967 -7.705
39 HD12 ILE 4 1HD1 ILE 4 -3.621 -1.057 -8.948
40 HD13 ILE 4 2HD1 ILE 4 -2.719 -1.895 -7.685
41 H LEU 5 H LEU 5 -4.165 -1.082 -4.250
42 HA LEU 5 HA LEU 5 -4.895 -3.631 -5.102
43 HB2 LEU 5 2HB LEU 5 -3.796 -2.805 -2.418
44 HB3 LEU 5 3HB LEU 5 -3.801 -4.445 -3.064
45 HG LEU 5 HG LEU 5 -2.346 -2.170 -4.395
46 HD11 LEU 5 1HD1 LEU 5 -0.566 -2.400 -3.055
47 HD12 LEU 5 2HD1 LEU 5 -0.763 -4.148 -2.927
48 HD13 LEU 5 3HD1 LEU 5 -1.721 -3.075 -1.905
49 HD21 LEU 5 3HD2 LEU 5 -2.975 -4.330 -5.622
50 HD22 LEU 5 1HD2 LEU 5 -1.781 -5.111 -4.584
51 HD23 LEU 5 2HD2 LEU 5 -1.288 -3.815 -5.675
52 H ARG 6 H ARG 6 -6.058 -1.745 -2.332
53 HA ARG 6 HA ARG 6 -7.702 -3.654 -1.164
54 HB2 ARG 6 2HB ARG 6 -8.131 -0.666 -1.338
55 HB3 ARG 6 3HB ARG 6 -8.967 -1.744 -0.228
56 HG2 ARG 6 2HG ARG 6 -6.563 -2.379 0.537
57 HG3 ARG 6 3HG ARG 6 -6.124 -0.844 -0.213
58 HD2 ARG 6 2HD ARG 6 -7.739 0.319 1.192
59 HD3 ARG 6 3HD ARG 6 -8.228 -1.213 1.917
60 HE ARG 6 HE ARG 6 -5.952 0.359 2.606
61 HH11 ARG 6 1HH1 ARG 6 -7.141 -2.907 2.404
62 HH12 ARG 6 2HH1 ARG 6 -6.074 -3.510 3.630
63 HH21 ARG 6 1HH2 ARG 6 -4.543 -0.422 4.222
64 HH22 ARG 6 2HH2 ARG 6 -4.597 -2.095 4.664
65 H PHE 7 H PHE 7 -8.201 -1.689 -4.005
66 HA PHE 7 HA PHE 7 -11.009 -2.182 -4.218
67 HB2 PHE 7 2HB PHE 7 -8.995 -1.217 -6.259
68 HB3 PHE 7 3HB PHE 7 -10.735 -1.264 -6.522
69 HD1 PHE 7 HD2 PHE 7 -8.103 0.228 -4.385
70 HD2 PHE 7 HD1 PHE 7 -12.102 0.491 -5.817
71 HE1 PHE 7 HE2 PHE 7 -8.311 2.466 -3.384
72 HE2 PHE 7 HE1 PHE 7 -12.316 2.730 -4.820
73 HZ PHE 7 HZ PHE 7 -10.420 3.720 -3.600
74 H VAL 8 H VAL 8 -8.266 -3.302 -6.207
75 HA VAL 8 HA VAL 8 -9.676 -5.212 -7.669
76 HB VAL 8 HB VAL 8 -7.369 -4.389 -8.190
77 HG11 VAL 8 1HG1 VAL 8 -5.468 -5.532 -7.144
78 HG12 VAL 8 2HG1 VAL 8 -6.396 -4.599 -5.969
79 HG13 VAL 8 3HG1 VAL 8 -6.573 -6.352 -6.043
80 HG21 VAL 8 3HG2 VAL 8 -8.467 -6.454 -9.180
81 HG22 VAL 8 1HG2 VAL 8 -6.711 -6.364 -9.299
82 HG23 VAL 8 2HG2 VAL 8 -7.460 -7.394 -8.079
83 H ALA 9 H ALA 9 -8.311 -5.354 -4.463
84 HA ALA 9 HA ALA 9 -8.169 -8.106 -4.070
85 HB1 ALA 9 3HB ALA 9 -7.238 -7.016 -2.310
86 HB2 ALA 9 1HB ALA 9 -8.461 -5.745 -2.305
87 HB3 ALA 9 2HB ALA 9 -8.827 -7.325 -1.611
88 H GLY 10 H GLY 10 -10.923 -6.028 -4.322
89 HA2 GLY 10 2HA GLY 10 -12.728 -7.958 -3.105
90 HA3 GLY 10 3HA GLY 10 -13.169 -6.394 -3.773
91 H TYR 11 H TYR 11 -11.889 -6.794 -6.320
92 HA TYR 11 HA TYR 11 -13.976 -7.854 -7.795
93 HB2 TYR 11 2HB TYR 11 -12.322 -6.407 -8.811
94 HB3 TYR 11 3HB TYR 11 -11.056 -7.599 -8.538
95 HD1 TYR 11 HD2 TYR 11 -14.502 -8.045 -9.890
96 HD2 TYR 11 HD1 TYR 11 -10.320 -8.221 -10.655
97 HE1 TYR 11 HE2 TYR 11 -14.952 -9.026 -12.099
98 HE2 TYR 11 HE1 TYR 11 -10.759 -9.202 -12.867
99 HH TYR 11 HH TYR 11 -12.715 -10.583 -13.912
100 H ASP 12 H ASP 12 -10.956 -9.422 -6.791
101 HA ASP 12 HA ASP 12 -11.331 -11.867 -8.085
102 HB2 ASP 12 2HB ASP 12 -9.254 -10.999 -6.858
103 HB3 ASP 12 3HB ASP 12 -10.013 -11.601 -5.388
104 H ILE 13 H ILE 13 -12.742 -10.591 -5.175
105 HA ILE 13 HA ILE 13 -13.787 -13.159 -4.328
106 HB ILE 13 HB ILE 13 -14.450 -10.425 -3.237
107 HG12 ILE 13 2HG1 ILE 13 -12.044 -10.818 -3.089
108 HG13 ILE 13 3HG1 ILE 13 -12.776 -10.919 -1.492
109 HG21 ILE 13 1HG2 ILE 13 -15.951 -11.542 -2.037
110 HG22 ILE 13 2HG2 ILE 13 -15.375 -13.090 -2.655
111 HG23 ILE 13 3HG2 ILE 13 -14.610 -12.365 -1.242
112 HD11 ILE 13 3HD1 ILE 13 -11.259 -12.881 -2.947
113 HD12 ILE 13 1HD1 ILE 13 -11.735 -12.855 -1.249
114 HD13 ILE 13 2HD1 ILE 13 -12.829 -13.521 -2.462
115 H ALA 14 H ALA 14 -14.904 -10.279 -5.983
116 HA ALA 14 HA ALA 14 -17.680 -10.951 -5.893
117 HB1 ALA 14 3HB ALA 14 -16.735 -9.204 -8.069
118 HB2 ALA 14 1HB ALA 14 -18.027 -8.961 -6.893
119 HB3 ALA 14 2HB ALA 14 -16.349 -8.673 -6.433
120 H SER 15 H SER 15 -15.018 -11.772 -7.960
121 HA SER 15 HA SER 15 -16.360 -12.468 -10.304
122 HB2 SER 15 2HB SER 15 -13.869 -12.342 -10.009
123 HB3 SER 15 3HB SER 15 -13.944 -13.887 -9.163
124 HG SER 15 HG SER 15 -13.657 -13.606 -11.689
125 H HIS 16 H HIS 16 -16.099 -14.122 -7.252
126 HA HIS 16 HA HIS 16 -17.158 -16.609 -8.295
127 HB2 HIS 16 2HB HIS 16 -16.112 -15.657 -5.680
128 HB3 HIS 16 3HB HIS 16 -17.277 -16.978 -5.643
129 HD1 HIS 16 HD1 HIS 16 -15.959 -19.042 -5.301
130 HD2 HIS 16 HD2 HIS 16 -14.172 -16.507 -8.066
131 HE1 HIS 16 HE1 HIS 16 -13.959 -20.296 -6.167
132 H LYS 17 H LYS 17 -18.277 -13.839 -6.442
133 HA LYS 17 HA LYS 17 -20.765 -14.857 -5.637
134 HB2 LYS 17 2HB LYS 17 -19.427 -12.290 -5.678
135 HB3 LYS 17 3HB LYS 17 -21.129 -12.115 -6.082
136 HG2 LYS 17 2HG LYS 17 -20.968 -11.847 -3.748
137 HG3 LYS 17 3HG LYS 17 -21.642 -13.457 -4.013
138 HD2 LYS 17 2HD LYS 17 -19.357 -14.396 -3.739
139 HD3 LYS 17 3HD LYS 17 -18.780 -12.777 -3.335
140 HE2 LYS 17 2HE LYS 17 -19.151 -13.776 -1.260
141 HE3 LYS 17 3HE LYS 17 -20.595 -12.799 -1.521
142 HZ1 LYS 17 3HZ LYS 17 -21.443 -14.812 -0.822
143 HZ2 LYS 17 1HZ LYS 17 -20.294 -15.727 -1.661
144 HZ3 LYS 17 2HZ LYS 17 -21.545 -14.961 -2.504
145 H LYS 18 H LYS 18 -20.401 -12.325 -8.104
146 HA LYS 18 HA LYS 18 -21.920 -13.806 -10.049
147 HB2 LYS 18 2HB LYS 18 -23.246 -11.954 -8.245
148 HB3 LYS 18 3HB LYS 18 -23.439 -11.472 -9.926
149 HG2 LYS 18 2HG LYS 18 -24.859 -13.136 -10.356
150 HG3 LYS 18 3HG LYS 18 -23.880 -14.320 -9.487
151 HD2 LYS 18 2HD LYS 18 -24.944 -13.931 -7.486
152 HD3 LYS 18 3HD LYS 18 -25.398 -12.282 -7.926
153 HE2 LYS 18 2HE LYS 18 -26.979 -13.279 -9.607
154 HE3 LYS 18 3HE LYS 18 -26.628 -14.855 -8.899
155 HZ1 LYS 18 3HZ LYS 18 -27.287 -13.042 -6.851
156 HZ2 LYS 18 1HZ LYS 18 -28.097 -14.454 -7.313
157 HZ3 LYS 18 2HZ LYS 18 -28.490 -12.978 -8.038
158 H LYS 19 H LYS 19 -21.694 -12.996 -12.105
159 HA LYS 19 HA LYS 19 -20.313 -10.423 -12.408
160 HB2 LYS 19 2HB LYS 19 -18.600 -12.161 -12.514
161 HB3 LYS 19 3HB LYS 19 -19.517 -13.014 -13.748
162 HG2 LYS 19 2HG LYS 19 -18.889 -10.223 -14.394
163 HG3 LYS 19 3HG LYS 19 -17.491 -11.291 -14.246
164 HD2 LYS 19 2HD LYS 19 -18.444 -12.816 -15.872
165 HD3 LYS 19 3HD LYS 19 -19.908 -11.834 -15.971
166 HE2 LYS 19 2HE LYS 19 -18.828 -10.984 -17.774
167 HE3 LYS 19 3HE LYS 19 -18.105 -9.951 -16.543
168 HZ1 LYS 19 3HZ LYS 19 -16.919 -12.153 -18.052
169 HZ2 LYS 19 1HZ LYS 19 -16.405 -11.943 -16.454
170 HZ3 LYS 19 2HZ LYS 19 -16.237 -10.682 -17.569
171 H THR 20 H THR 20 -21.540 -9.175 -13.641
172 HA THR 20 HA THR 20 -22.485 -10.077 -16.198
173 HB THR 20 HB THR 20 -24.890 -9.172 -15.485
174 HG1 THR 20 HG1 THR 20 -25.372 -9.973 -13.376
175 HG21 THR 20 1HG2 THR 20 -24.770 -11.915 -14.621
176 HG22 THR 20 2HG2 THR 20 -23.746 -11.672 -16.036
177 HG23 THR 20 3HG2 THR 20 -25.454 -11.239 -16.098
178 H GLY 21 H GLY 21 -22.156 -8.422 -17.525
179 HA2 GLY 21 2HA GLY 21 -22.779 -6.178 -18.203
180 HA3 GLY 21 3HA GLY 21 -22.666 -5.696 -16.517
181 H GLY 22 H GLY 22 -21.028 -5.969 -19.489
182 HA2 GLY 22 2HA GLY 22 -18.595 -4.920 -18.211
183 HA3 GLY 22 3HA GLY 22 -18.465 -6.257 -19.343
184 H TYR 23 H TYR 23 -20.326 -3.218 -19.354
185 HA TYR 23 HA TYR 23 -19.285 -2.714 -22.058
186 HB2 TYR 23 2HB TYR 23 -21.723 -1.508 -20.737
187 HB3 TYR 23 3HB TYR 23 -21.242 -1.324 -22.420
188 HD1 TYR 23 HD2 TYR 23 -22.460 -3.763 -19.915
189 HD2 TYR 23 HD1 TYR 23 -21.839 -2.940 -24.043
190 HE1 TYR 23 HE2 TYR 23 -23.787 -5.749 -20.505
191 HE2 TYR 23 HE1 TYR 23 -23.167 -4.922 -24.644
192 HH TYR 23 HH TYR 23 -25.215 -6.424 -22.688
193 HA PRO 24 HA PRO 24 -17.071 0.854 -20.782
194 HB2 PRO 24 2HB PRO 24 -17.401 2.493 -22.920
195 HB3 PRO 24 3HB PRO 24 -16.369 1.058 -22.960
196 HG2 PRO 24 2HG PRO 24 -19.167 1.408 -23.965
197 HG3 PRO 24 3HG PRO 24 -17.799 0.579 -24.730
198 HD2 PRO 24 2HD PRO 24 -19.762 -0.752 -23.424
199 HD3 PRO 24 3HD PRO 24 -18.082 -1.326 -23.464
200 H TRP 25 H TRP 25 -20.397 1.260 -21.812
201 HA TRP 25 HA TRP 25 -20.563 3.716 -20.190
202 HB2 TRP 25 2HB TRP 25 -22.048 4.638 -21.675
203 HB3 TRP 25 3HB TRP 25 -21.125 3.631 -22.787
204 HD1 TRP 25 HD1 TRP 25 -24.594 4.208 -21.534
205 HE1 TRP 25 HE1 TRP 25 -26.200 2.481 -22.566
206 HE3 TRP 25 HE3 TRP 25 -21.157 1.007 -23.552
207 HZ2 TRP 25 HZ2 TRP 25 -26.032 0.080 -24.040
208 HZ3 TRP 25 HZ3 TRP 25 -21.962 -0.982 -24.758
209 HH2 TRP 25 HH2 TRP 25 -24.350 -1.434 -24.995
210 H GLU 26 H GLU 26 -21.913 0.565 -20.834
211 HA GLU 26 HA GLU 26 -23.959 0.969 -18.771
212 HB2 GLU 26 2HB GLU 26 -23.816 -0.587 -21.203
213 HB3 GLU 26 3HB GLU 26 -24.222 -1.612 -19.834
214 HG2 GLU 26 2HG GLU 26 -25.795 0.699 -19.584
215 HG3 GLU 26 3HG GLU 26 -25.872 0.221 -21.278
216 H ARG 27 H ARG 27 -22.565 0.884 -16.970
217 HA ARG 27 HA ARG 27 -20.853 -1.369 -16.514
218 HB2 ARG 27 2HB ARG 27 -20.476 -0.385 -14.314
219 HB3 ARG 27 3HB ARG 27 -20.352 0.843 -15.568
220 HG2 ARG 27 2HG ARG 27 -21.733 2.061 -14.331
221 HG3 ARG 27 3HG ARG 27 -23.007 0.944 -14.825
222 HD2 ARG 27 2HD ARG 27 -21.995 -0.468 -12.808
223 HD3 ARG 27 3HD ARG 27 -21.533 1.142 -12.258
224 HE ARG 27 HE ARG 27 -24.215 1.248 -12.990
225 HH11 ARG 27 1HH1 ARG 27 -22.218 -0.331 -10.615
226 HH12 ARG 27 2HH1 ARG 27 -23.476 -0.424 -9.428
227 HH21 ARG 27 1HH2 ARG 27 -25.880 1.133 -11.435
228 HH22 ARG 27 2HH2 ARG 27 -25.559 0.408 -9.895
229 H GLY 28 H GLY 28 -24.156 -0.554 -15.799
230 HA2 GLY 28 2HA GLY 28 -25.216 -2.972 -15.405
231 HA3 GLY 28 3HA GLY 28 -24.438 -2.700 -13.853
232 H LYS 29 H LYS 29 -27.070 -3.100 -13.787
233 HA LYS 29 HA LYS 29 -28.292 -0.431 -13.599
234 HB2 LYS 29 2HB LYS 29 -30.460 -1.673 -13.547
235 HB3 LYS 29 3HB LYS 29 -29.554 -1.875 -15.040
236 HG2 LYS 29 2HG LYS 29 -28.764 -4.054 -14.268
237 HG3 LYS 29 3HG LYS 29 -29.675 -3.851 -12.769
238 HD2 LYS 29 2HD LYS 29 -31.392 -3.395 -15.020
239 HD3 LYS 29 3HD LYS 29 -30.571 -4.947 -15.201
240 HE2 LYS 29 2HE LYS 29 -31.532 -5.829 -13.310
241 HE3 LYS 29 3HE LYS 29 -31.760 -4.251 -12.560
242 HZ1 LYS 29 3HZ LYS 29 -33.671 -5.722 -13.842
243 HZ2 LYS 29 1HZ LYS 29 -33.271 -4.522 -14.966
244 HZ3 LYS 29 2HZ LYS 29 -33.788 -4.089 -13.416
245 H ALA 30 H ALA 30 -27.375 -3.258 -11.808
246 HA ALA 30 HA ALA 30 -28.321 -1.952 -9.343
247 HB1 ALA 30 3HB ALA 30 -28.153 -4.848 -9.140
248 HB2 ALA 30 1HB ALA 30 -29.453 -3.752 -8.669
249 HB3 ALA 30 2HB ALA 30 -29.334 -4.313 -10.337
Start of MODEL 3
1 H1 MET 1 H MET 1 2.113 1.833 0.335
2 HA MET 1 HA MET 1 1.819 -0.238 -0.788
3 HB2 MET 1 2HB MET 1 -0.514 -0.603 1.100
4 HB3 MET 1 3HB MET 1 -0.016 -1.747 -0.139
5 HG2 MET 1 2HG MET 1 1.731 -0.886 2.152
6 HG3 MET 1 3HG MET 1 0.710 -2.322 2.169
7 HE1 MET 1 3HE MET 1 1.358 -3.544 -1.073
8 HE2 MET 1 1HE MET 1 2.226 -4.772 -0.151
9 HE3 MET 1 2HE MET 1 0.740 -4.072 0.493
10 H LYS 2 H LYS 2 0.623 -0.519 -2.661
11 HA LYS 2 HA LYS 2 -0.696 1.683 -3.715
12 HB2 LYS 2 2HB LYS 2 -0.616 -1.215 -4.493
13 HB3 LYS 2 3HB LYS 2 -1.625 -0.083 -5.383
14 HG2 LYS 2 2HG LYS 2 0.895 1.130 -5.163
15 HG3 LYS 2 3HG LYS 2 1.190 -0.558 -5.591
16 HD2 LYS 2 2HD LYS 2 -0.877 1.057 -7.043
17 HD3 LYS 2 3HD LYS 2 0.829 1.168 -7.482
18 HE2 LYS 2 2HE LYS 2 -0.510 -1.498 -7.238
19 HE3 LYS 2 3HE LYS 2 -0.695 -0.538 -8.705
20 HZ1 LYS 2 3HZ LYS 2 2.004 -0.986 -7.651
21 HZ2 LYS 2 1HZ LYS 2 1.495 -0.775 -9.250
22 HZ3 LYS 2 2HZ LYS 2 1.239 -2.252 -8.468
23 H THR 3 H THR 3 -2.452 2.546 -2.784
24 HA THR 3 HA THR 3 -4.398 1.263 -1.294
25 HB THR 3 HB THR 3 -5.638 3.407 -2.738
26 HG1 THR 3 HG1 THR 3 -3.217 4.258 -1.566
27 HG21 THR 3 1HG2 THR 3 -4.464 3.676 0.001
28 HG22 THR 3 2HG2 THR 3 -5.797 2.554 -0.276
29 HG23 THR 3 3HG2 THR 3 -6.002 4.271 -0.621
30 H ILE 4 H ILE 4 -4.043 1.475 -4.748
31 HA ILE 4 HA ILE 4 -6.666 0.871 -5.537
32 HB ILE 4 HB ILE 4 -5.711 0.124 -7.656
33 HG12 ILE 4 2HG1 ILE 4 -2.965 0.639 -7.358
34 HG13 ILE 4 3HG1 ILE 4 -3.402 -0.377 -5.988
35 HG21 ILE 4 1HG2 ILE 4 -4.572 2.182 -8.273
36 HG22 ILE 4 2HG2 ILE 4 -5.938 2.523 -7.211
37 HG23 ILE 4 3HG2 ILE 4 -4.294 2.556 -6.572
38 HD11 ILE 4 3HD1 ILE 4 -3.611 -0.980 -8.912
39 HD12 ILE 4 1HD1 ILE 4 -2.753 -1.869 -7.653
40 HD13 ILE 4 2HD1 ILE 4 -4.516 -1.897 -7.708
41 H LEU 5 H LEU 5 -4.149 -1.111 -4.219
42 HA LEU 5 HA LEU 5 -4.906 -3.635 -5.121
43 HB2 LEU 5 2HB LEU 5 -3.780 -2.879 -2.429
44 HB3 LEU 5 3HB LEU 5 -3.802 -4.503 -3.111
45 HG LEU 5 HG LEU 5 -2.341 -2.209 -4.403
46 HD11 LEU 5 1HD1 LEU 5 -1.701 -3.168 -1.939
47 HD12 LEU 5 2HD1 LEU 5 -0.549 -2.485 -3.087
48 HD13 LEU 5 3HD1 LEU 5 -0.764 -4.233 -2.989
49 HD21 LEU 5 3HD2 LEU 5 -1.791 -5.146 -4.663
50 HD22 LEU 5 1HD2 LEU 5 -1.314 -3.827 -5.732
51 HD23 LEU 5 2HD2 LEU 5 -3.000 -4.342 -5.667
52 H ARG 6 H ARG 6 -6.033 -1.805 -2.298
53 HA ARG 6 HA ARG 6 -7.682 -3.729 -1.161
54 HB2 ARG 6 2HB ARG 6 -8.294 -0.773 -1.260
55 HB3 ARG 6 3HB ARG 6 -8.802 -1.928 -0.035
56 HG2 ARG 6 2HG ARG 6 -6.308 -2.260 0.425
57 HG3 ARG 6 3HG ARG 6 -6.077 -0.782 -0.511
58 HD2 ARG 6 2HD ARG 6 -7.385 0.487 1.013
59 HD3 ARG 6 3HD ARG 6 -7.952 -0.966 1.835
60 HE ARG 6 HE ARG 6 -5.480 0.417 2.277
61 HH11 ARG 6 1HH1 ARG 6 -7.094 -2.661 2.475
62 HH12 ARG 6 2HH1 ARG 6 -6.048 -3.277 3.711
63 HH21 ARG 6 1HH2 ARG 6 -4.096 -0.382 3.904
64 HH22 ARG 6 2HH2 ARG 6 -4.343 -1.979 4.524
65 H PHE 7 H PHE 7 -8.191 -1.692 -3.950
66 HA PHE 7 HA PHE 7 -11.003 -2.163 -4.151
67 HB2 PHE 7 2HB PHE 7 -9.002 -1.162 -6.186
68 HB3 PHE 7 3HB PHE 7 -10.744 -1.190 -6.433
69 HD1 PHE 7 HD2 PHE 7 -8.081 0.227 -4.283
70 HD2 PHE 7 HD1 PHE 7 -12.090 0.560 -5.675
71 HE1 PHE 7 HE2 PHE 7 -8.261 2.442 -3.226
72 HE2 PHE 7 HE1 PHE 7 -12.275 2.776 -4.621
73 HZ PHE 7 HZ PHE 7 -10.359 3.719 -3.394
74 H VAL 8 H VAL 8 -8.284 -3.251 -6.192
75 HA VAL 8 HA VAL 8 -9.718 -5.116 -7.686
76 HB VAL 8 HB VAL 8 -7.411 -4.294 -8.207
77 HG11 VAL 8 1HG1 VAL 8 -6.608 -6.319 -6.118
78 HG12 VAL 8 2HG1 VAL 8 -5.508 -5.470 -7.206
79 HG13 VAL 8 3HG1 VAL 8 -6.423 -4.570 -5.997
80 HG21 VAL 8 3HG2 VAL 8 -7.696 -7.298 -8.170
81 HG22 VAL 8 1HG2 VAL 8 -8.446 -6.224 -9.352
82 HG23 VAL 8 2HG2 VAL 8 -6.689 -6.344 -9.261
83 H ALA 9 H ALA 9 -8.331 -5.343 -4.496
84 HA ALA 9 HA ALA 9 -8.199 -8.103 -4.169
85 HB1 ALA 9 3HB ALA 9 -8.676 -7.519 -1.703
86 HB2 ALA 9 1HB ALA 9 -7.226 -6.861 -2.463
87 HB3 ALA 9 2HB ALA 9 -8.653 -5.845 -2.256
88 H GLY 10 H GLY 10 -10.946 -6.009 -4.353
89 HA2 GLY 10 2HA GLY 10 -12.755 -7.943 -3.157
90 HA3 GLY 10 3HA GLY 10 -13.191 -6.376 -3.819
91 H TYR 11 H TYR 11 -11.820 -6.863 -6.358
92 HA TYR 11 HA TYR 11 -13.936 -7.856 -7.857
93 HB2 TYR 11 2HB TYR 11 -12.225 -6.465 -8.860
94 HB3 TYR 11 3HB TYR 11 -10.999 -7.691 -8.561
95 HD1 TYR 11 HD2 TYR 11 -14.439 -8.057 -9.949
96 HD2 TYR 11 HD1 TYR 11 -10.255 -8.337 -10.669
97 HE1 TYR 11 HE2 TYR 11 -14.891 -9.039 -12.158
98 HE2 TYR 11 HE1 TYR 11 -10.696 -9.318 -12.881
99 HH TYR 11 HH TYR 11 -12.282 -10.235 -14.207
100 H ASP 12 H ASP 12 -10.974 -9.499 -6.797
101 HA ASP 12 HA ASP 12 -11.362 -11.937 -8.077
102 HB2 ASP 12 2HB ASP 12 -9.349 -11.065 -6.684
103 HB3 ASP 12 3HB ASP 12 -10.190 -11.788 -5.315
104 H ILE 13 H ILE 13 -12.846 -10.635 -5.206
105 HA ILE 13 HA ILE 13 -14.015 -13.172 -4.436
106 HB ILE 13 HB ILE 13 -14.666 -10.440 -3.332
107 HG12 ILE 13 2HG1 ILE 13 -12.263 -10.823 -3.140
108 HG13 ILE 13 3HG1 ILE 13 -13.024 -10.949 -1.558
109 HG21 ILE 13 1HG2 ILE 13 -15.764 -12.987 -2.881
110 HG22 ILE 13 2HG2 ILE 13 -14.795 -12.603 -1.460
111 HG23 ILE 13 3HG2 ILE 13 -16.070 -11.502 -1.981
112 HD11 ILE 13 3HD1 ILE 13 -11.583 -12.950 -3.122
113 HD12 ILE 13 1HD1 ILE 13 -11.826 -12.822 -1.379
114 HD13 ILE 13 2HD1 ILE 13 -13.081 -13.532 -2.396
115 H ALA 14 H ALA 14 -14.929 -10.286 -6.174
116 HA ALA 14 HA ALA 14 -17.741 -10.802 -6.161
117 HB1 ALA 14 3HB ALA 14 -17.741 -8.682 -6.810
118 HB2 ALA 14 1HB ALA 14 -15.999 -8.730 -7.081
119 HB3 ALA 14 2HB ALA 14 -17.106 -9.186 -8.376
120 H SER 15 H SER 15 -15.055 -11.791 -8.131
121 HA SER 15 HA SER 15 -16.452 -12.525 -10.462
122 HB2 SER 15 2HB SER 15 -14.153 -12.446 -10.778
123 HB3 SER 15 3HB SER 15 -13.812 -13.283 -9.264
124 HG SER 15 HG SER 15 -14.011 -15.147 -10.243
125 H HIS 16 H HIS 16 -15.979 -14.121 -7.396
126 HA HIS 16 HA HIS 16 -17.326 -16.526 -8.410
127 HB2 HIS 16 2HB HIS 16 -15.503 -16.005 -6.089
128 HB3 HIS 16 3HB HIS 16 -16.612 -17.373 -6.033
129 HD1 HIS 16 HD1 HIS 16 -14.206 -18.672 -5.960
130 HD2 HIS 16 HD2 HIS 16 -15.320 -16.937 -9.569
131 HE1 HIS 16 HE1 HIS 16 -12.775 -19.777 -7.708
132 H LYS 17 H LYS 17 -18.606 -13.925 -7.727
133 HA LYS 17 HA LYS 17 -20.077 -14.369 -5.299
134 HB2 LYS 17 2HB LYS 17 -19.488 -12.110 -6.359
135 HB3 LYS 17 3HB LYS 17 -20.812 -12.420 -7.474
136 HG2 LYS 17 2HG LYS 17 -22.367 -11.909 -5.955
137 HG3 LYS 17 3HG LYS 17 -21.528 -12.774 -4.664
138 HD2 LYS 17 2HD LYS 17 -20.305 -10.250 -5.625
139 HD3 LYS 17 3HD LYS 17 -21.792 -10.119 -4.682
140 HE2 LYS 17 2HE LYS 17 -19.643 -11.902 -3.665
141 HE3 LYS 17 3HE LYS 17 -19.397 -10.160 -3.542
142 HZ1 LYS 17 3HZ LYS 17 -21.913 -10.448 -2.636
143 HZ2 LYS 17 1HZ LYS 17 -20.540 -10.373 -1.649
144 HZ3 LYS 17 2HZ LYS 17 -21.195 -11.873 -2.075
145 H LYS 18 H LYS 18 -20.872 -14.428 -8.766
146 HA LYS 18 HA LYS 18 -22.919 -16.429 -8.238
147 HB2 LYS 18 2HB LYS 18 -23.591 -13.918 -9.778
148 HB3 LYS 18 3HB LYS 18 -24.680 -15.239 -9.369
149 HG2 LYS 18 2HG LYS 18 -24.309 -14.668 -6.955
150 HG3 LYS 18 3HG LYS 18 -23.453 -13.225 -7.503
151 HD2 LYS 18 2HD LYS 18 -25.510 -12.297 -7.335
152 HD3 LYS 18 3HD LYS 18 -25.706 -12.991 -8.947
153 HE2 LYS 18 2HE LYS 18 -26.566 -15.078 -7.726
154 HE3 LYS 18 3HE LYS 18 -26.711 -14.030 -6.315
155 HZ1 LYS 18 3HZ LYS 18 -28.691 -14.350 -7.979
156 HZ2 LYS 18 1HZ LYS 18 -27.896 -13.128 -8.837
157 HZ3 LYS 18 2HZ LYS 18 -28.404 -12.852 -7.247
158 H LYS 19 H LYS 19 -24.100 -16.595 -10.676
159 HA LYS 19 HA LYS 19 -22.453 -16.371 -12.921
160 HB2 LYS 19 2HB LYS 19 -21.508 -18.351 -11.234
161 HB3 LYS 19 3HB LYS 19 -22.462 -19.246 -12.409
162 HG2 LYS 19 2HG LYS 19 -20.703 -17.235 -13.594
163 HG3 LYS 19 3HG LYS 19 -19.857 -18.515 -12.720
164 HD2 LYS 19 2HD LYS 19 -20.320 -20.030 -14.298
165 HD3 LYS 19 3HD LYS 19 -22.012 -19.534 -14.389
166 HE2 LYS 19 2HE LYS 19 -20.984 -19.162 -16.526
167 HE3 LYS 19 3HE LYS 19 -21.312 -17.599 -15.779
168 HZ1 LYS 19 3HZ LYS 19 -19.173 -17.349 -16.550
169 HZ2 LYS 19 1HZ LYS 19 -18.729 -18.944 -16.203
170 HZ3 LYS 19 2HZ LYS 19 -18.892 -17.820 -14.950
171 H THR 20 H THR 20 -23.567 -16.862 -14.754
172 HA THR 20 HA THR 20 -26.351 -17.501 -14.466
173 HB THR 20 HB THR 20 -26.354 -17.350 -16.994
174 HG1 THR 20 HG1 THR 20 -23.800 -16.194 -16.814
175 HG21 THR 20 1HG2 THR 20 -26.585 -15.421 -15.202
176 HG22 THR 20 2HG2 THR 20 -26.519 -15.062 -16.927
177 HG23 THR 20 3HG2 THR 20 -25.076 -14.877 -15.932
178 H GLY 21 H GLY 21 -25.844 -19.672 -13.497
179 HA2 GLY 21 2HA GLY 21 -26.283 -21.934 -13.829
180 HA3 GLY 21 3HA GLY 21 -26.135 -21.682 -15.562
181 H GLY 22 H GLY 22 -23.922 -21.390 -16.418
182 HA2 GLY 22 2HA GLY 22 -21.560 -21.679 -16.186
183 HA3 GLY 22 3HA GLY 22 -21.852 -22.620 -14.731
184 H TYR 23 H TYR 23 -22.900 -22.776 -18.139
185 HA TYR 23 HA TYR 23 -22.033 -25.592 -18.158
186 HB2 TYR 23 2HB TYR 23 -24.454 -24.478 -19.589
187 HB3 TYR 23 3HB TYR 23 -23.936 -26.161 -19.554
188 HD1 TYR 23 HD1 TYR 23 -25.278 -23.407 -17.474
189 HD2 TYR 23 HD2 TYR 23 -24.556 -27.590 -17.771
190 HE1 TYR 23 HE1 TYR 23 -26.660 -23.782 -15.474
191 HE2 TYR 23 HE2 TYR 23 -25.936 -27.976 -15.773
192 HH TYR 23 HH TYR 23 -26.584 -26.247 -13.622
193 HA PRO 24 HA PRO 24 -19.725 -24.710 -21.785
194 HB2 PRO 24 2HB PRO 24 -19.964 -27.038 -23.161
195 HB3 PRO 24 3HB PRO 24 -18.979 -26.881 -21.701
196 HG2 PRO 24 2HG PRO 24 -21.746 -27.982 -22.011
197 HG3 PRO 24 3HG PRO 24 -20.392 -28.611 -21.054
198 HD2 PRO 24 2HD PRO 24 -22.421 -27.196 -19.954
199 HD3 PRO 24 3HD PRO 24 -20.761 -27.130 -19.327
200 H TRP 25 H TRP 25 -23.017 -25.853 -22.165
201 HA TRP 25 HA TRP 25 -23.131 -24.545 -24.803
202 HB2 TRP 25 2HB TRP 25 -24.558 -26.162 -25.584
203 HB3 TRP 25 3HB TRP 25 -23.649 -27.124 -24.421
204 HD1 TRP 25 HD1 TRP 25 -27.119 -26.024 -25.251
205 HE1 TRP 25 HE1 TRP 25 -28.763 -26.874 -23.463
206 HE3 TRP 25 HE3 TRP 25 -23.755 -27.566 -21.725
207 HZ2 TRP 25 HZ2 TRP 25 -28.648 -28.043 -20.896
208 HZ3 TRP 25 HZ3 TRP 25 -24.603 -28.539 -19.630
209 HH2 TRP 25 HH2 TRP 25 -27.000 -28.771 -19.226
210 H GLU 26 H GLU 26 -24.574 -24.831 -21.640
211 HA GLU 26 HA GLU 26 -26.642 -22.878 -22.356
212 HB2 GLU 26 2HB GLU 26 -26.505 -25.099 -20.511
213 HB3 GLU 26 3HB GLU 26 -26.966 -23.625 -19.672
214 HG2 GLU 26 2HG GLU 26 -28.474 -23.679 -22.035
215 HG3 GLU 26 3HG GLU 26 -28.531 -25.311 -21.371
216 H ARG 27 H ARG 27 -25.284 -21.049 -22.452
217 HA ARG 27 HA ARG 27 -25.078 -19.571 -20.084
218 HB2 ARG 27 2HB ARG 27 -23.252 -20.968 -19.432
219 HB3 ARG 27 3HB ARG 27 -22.516 -20.855 -21.025
220 HG2 ARG 27 2HG ARG 27 -22.908 -18.297 -19.624
221 HG3 ARG 27 3HG ARG 27 -21.742 -19.403 -18.897
222 HD2 ARG 27 2HD ARG 27 -20.309 -19.275 -20.667
223 HD3 ARG 27 3HD ARG 27 -21.601 -18.982 -21.830
224 HE ARG 27 HE ARG 27 -21.434 -16.753 -20.166
225 HH11 ARG 27 1HH1 ARG 27 -19.502 -18.400 -22.549
226 HH12 ARG 27 2HH1 ARG 27 -18.677 -16.965 -23.061
227 HH21 ARG 27 1HH2 ARG 27 -20.354 -14.858 -20.831
228 HH22 ARG 27 2HH2 ARG 27 -19.161 -14.952 -22.083
229 H GLY 28 H GLY 28 -23.891 -20.125 -23.346
230 HA2 GLY 28 2HA GLY 28 -23.417 -17.262 -23.726
231 HA3 GLY 28 3HA GLY 28 -23.003 -18.542 -24.857
232 H LYS 29 H LYS 29 -23.958 -17.436 -26.587
233 HA LYS 29 HA LYS 29 -26.692 -16.604 -26.521
234 HB2 LYS 29 2HB LYS 29 -26.406 -16.227 -28.937
235 HB3 LYS 29 3HB LYS 29 -25.098 -15.511 -28.004
236 HG2 LYS 29 2HG LYS 29 -23.730 -17.539 -28.530
237 HG3 LYS 29 3HG LYS 29 -25.017 -18.042 -29.628
238 HD2 LYS 29 2HD LYS 29 -24.749 -15.953 -30.885
239 HD3 LYS 29 3HD LYS 29 -23.448 -15.468 -29.795
240 HE2 LYS 29 2HE LYS 29 -21.960 -16.673 -30.928
241 HE3 LYS 29 3HE LYS 29 -22.976 -18.111 -30.839
242 HZ1 LYS 29 3HZ LYS 29 -24.224 -16.589 -32.697
243 HZ2 LYS 29 1HZ LYS 29 -23.165 -17.866 -33.032
244 HZ3 LYS 29 2HZ LYS 29 -22.593 -16.275 -33.015
245 H ALA 30 H ALA 30 -24.978 -19.473 -27.605
246 HA ALA 30 HA ALA 30 -25.696 -21.550 -28.201
247 HB1 ALA 30 3HB ALA 30 -27.099 -21.127 -26.094
248 HB2 ALA 30 1HB ALA 30 -28.438 -20.852 -27.209
249 HB3 ALA 30 2HB ALA 30 -27.613 -22.410 -27.188
Start of MODEL 4
1 H1 MET 1 H MET 1 1.151 0.461 0.953
2 HA MET 1 HA MET 1 2.606 1.087 -0.682
3 HB2 MET 1 2HB MET 1 2.873 -1.557 -0.684
4 HB3 MET 1 3HB MET 1 2.136 -1.390 -2.272
5 HG2 MET 1 2HG MET 1 3.922 -0.182 -3.117
6 HG3 MET 1 3HG MET 1 4.495 0.278 -1.515
7 HE1 MET 1 3HE MET 1 4.904 -3.940 -3.318
8 HE2 MET 1 1HE MET 1 3.403 -3.024 -3.188
9 HE3 MET 1 2HE MET 1 4.642 -2.528 -4.341
10 H LYS 2 H LYS 2 -0.281 -0.562 -1.911
11 HA LYS 2 HA LYS 2 -0.715 1.703 -3.723
12 HB2 LYS 2 2HB LYS 2 -0.619 -1.207 -4.452
13 HB3 LYS 2 3HB LYS 2 -1.621 -0.092 -5.373
14 HG2 LYS 2 2HG LYS 2 1.049 0.948 -5.003
15 HG3 LYS 2 3HG LYS 2 1.066 -0.641 -5.774
16 HD2 LYS 2 2HD LYS 2 0.098 0.126 -7.665
17 HD3 LYS 2 3HD LYS 2 -0.954 1.246 -6.796
18 HE2 LYS 2 2HE LYS 2 1.647 2.214 -6.434
19 HE3 LYS 2 3HE LYS 2 1.550 1.742 -8.130
20 HZ1 LYS 2 3HZ LYS 2 -0.356 3.136 -8.420
21 HZ2 LYS 2 1HZ LYS 2 0.872 4.060 -7.714
22 HZ3 LYS 2 2HZ LYS 2 -0.415 3.502 -6.770
23 H THR 3 H THR 3 -2.485 2.577 -2.831
24 HA THR 3 HA THR 3 -4.449 1.317 -1.345
25 HB THR 3 HB THR 3 -5.747 3.399 -2.754
26 HG1 THR 3 HG1 THR 3 -3.172 4.244 -1.909
27 HG21 THR 3 1HG2 THR 3 -4.310 3.649 -0.119
28 HG22 THR 3 2HG2 THR 3 -5.816 2.749 -0.301
29 HG23 THR 3 3HG2 THR 3 -5.774 4.478 -0.645
30 H ILE 4 H ILE 4 -4.049 1.469 -4.795
31 HA ILE 4 HA ILE 4 -6.661 0.845 -5.608
32 HB ILE 4 HB ILE 4 -5.676 0.066 -7.702
33 HG12 ILE 4 2HG1 ILE 4 -2.936 0.592 -7.378
34 HG13 ILE 4 3HG1 ILE 4 -3.389 -0.404 -5.997
35 HG21 ILE 4 1HG2 ILE 4 -5.804 2.544 -6.975
36 HG22 ILE 4 2HG2 ILE 4 -4.047 2.439 -6.888
37 HG23 ILE 4 3HG2 ILE 4 -4.875 2.123 -8.413
38 HD11 ILE 4 3HD1 ILE 4 -4.471 -1.962 -7.692
39 HD12 ILE 4 1HD1 ILE 4 -3.580 -1.056 -8.913
40 HD13 ILE 4 2HD1 ILE 4 -2.709 -1.913 -7.641
41 H LEU 5 H LEU 5 -4.157 -1.107 -4.222
42 HA LEU 5 HA LEU 5 -4.896 -3.648 -5.091
43 HB2 LEU 5 2HB LEU 5 -3.804 -2.842 -2.399
44 HB3 LEU 5 3HB LEU 5 -3.814 -4.479 -3.054
45 HG LEU 5 HG LEU 5 -2.342 -2.202 -4.366
46 HD11 LEU 5 1HD1 LEU 5 -0.774 -4.196 -2.904
47 HD12 LEU 5 2HD1 LEU 5 -1.731 -3.126 -1.879
48 HD13 LEU 5 3HD1 LEU 5 -0.569 -2.447 -3.021
49 HD21 LEU 5 3HD2 LEU 5 -2.978 -4.352 -5.608
50 HD22 LEU 5 1HD2 LEU 5 -1.790 -5.144 -4.572
51 HD23 LEU 5 2HD2 LEU 5 -1.289 -3.844 -5.652
52 H ARG 6 H ARG 6 -6.061 -1.773 -2.314
53 HA ARG 6 HA ARG 6 -7.718 -3.682 -1.164
54 HB2 ARG 6 2HB ARG 6 -8.217 -0.704 -1.326
55 HB3 ARG 6 3HB ARG 6 -8.932 -1.812 -0.163
56 HG2 ARG 6 2HG ARG 6 -6.630 -2.306 0.667
57 HG3 ARG 6 3HG ARG 6 -6.041 -1.016 -0.385
58 HD2 ARG 6 2HD ARG 6 -6.442 0.390 1.295
59 HD3 ARG 6 3HD ARG 6 -8.159 0.133 0.988
60 HE ARG 6 HE ARG 6 -8.282 -1.090 2.916
61 HH11 ARG 6 1HH1 ARG 6 -4.942 -0.764 1.988
62 HH12 ARG 6 2HH1 ARG 6 -4.331 -1.467 3.449
63 HH21 ARG 6 1HH2 ARG 6 -7.490 -2.017 4.844
64 HH22 ARG 6 2HH2 ARG 6 -5.782 -2.180 5.073
65 H PHE 7 H PHE 7 -8.198 -1.697 -3.994
66 HA PHE 7 HA PHE 7 -11.007 -2.177 -4.221
67 HB2 PHE 7 2HB PHE 7 -8.982 -1.207 -6.248
68 HB3 PHE 7 3HB PHE 7 -10.721 -1.246 -6.518
69 HD1 PHE 7 HD2 PHE 7 -8.091 0.222 -4.362
70 HD2 PHE 7 HD1 PHE 7 -12.084 0.511 -5.807
71 HE1 PHE 7 HE2 PHE 7 -8.292 2.454 -3.348
72 HE2 PHE 7 HE1 PHE 7 -12.291 2.744 -4.795
73 HZ PHE 7 HZ PHE 7 -10.395 3.718 -3.562
74 H VAL 8 H VAL 8 -8.261 -3.295 -6.208
75 HA VAL 8 HA VAL 8 -9.674 -5.190 -7.687
76 HB VAL 8 HB VAL 8 -7.362 -4.372 -8.194
77 HG11 VAL 8 1HG1 VAL 8 -5.469 -5.528 -7.151
78 HG12 VAL 8 2HG1 VAL 8 -6.398 -4.605 -5.970
79 HG13 VAL 8 3HG1 VAL 8 -6.580 -6.357 -6.061
80 HG21 VAL 8 3HG2 VAL 8 -8.307 -6.269 -9.385
81 HG22 VAL 8 1HG2 VAL 8 -6.580 -6.508 -9.121
82 HG23 VAL 8 2HG2 VAL 8 -7.752 -7.363 -8.120
83 H ALA 9 H ALA 9 -8.321 -5.357 -4.477
84 HA ALA 9 HA ALA 9 -8.188 -8.112 -4.101
85 HB1 ALA 9 3HB ALA 9 -9.020 -6.120 -2.001
86 HB2 ALA 9 1HB ALA 9 -8.224 -7.674 -1.757
87 HB3 ALA 9 2HB ALA 9 -7.353 -6.350 -2.531
88 H GLY 10 H GLY 10 -10.936 -6.025 -4.351
89 HA2 GLY 10 2HA GLY 10 -12.752 -7.956 -3.152
90 HA3 GLY 10 3HA GLY 10 -13.185 -6.388 -3.818
91 H TYR 11 H TYR 11 -11.839 -6.835 -6.353
92 HA TYR 11 HA TYR 11 -13.930 -7.842 -7.861
93 HB2 TYR 11 2HB TYR 11 -12.256 -6.461 -8.891
94 HB3 TYR 11 3HB TYR 11 -10.990 -7.627 -8.523
95 HD1 TYR 11 HD2 TYR 11 -14.372 -8.038 -10.055
96 HD2 TYR 11 HD1 TYR 11 -10.163 -8.443 -10.524
97 HE1 TYR 11 HE2 TYR 11 -14.724 -9.103 -12.244
98 HE2 TYR 11 HE1 TYR 11 -10.503 -9.508 -12.714
99 HH TYR 11 HH TYR 11 -13.338 -9.378 -14.400
100 H ASP 12 H ASP 12 -10.959 -9.487 -6.824
101 HA ASP 12 HA ASP 12 -11.401 -11.932 -8.095
102 HB2 ASP 12 2HB ASP 12 -9.317 -11.067 -6.819
103 HB3 ASP 12 3HB ASP 12 -10.094 -11.749 -5.394
104 H ILE 13 H ILE 13 -12.796 -10.583 -5.214
105 HA ILE 13 HA ILE 13 -13.893 -13.109 -4.319
106 HB ILE 13 HB ILE 13 -14.509 -10.332 -3.309
107 HG12 ILE 13 2HG1 ILE 13 -12.107 -10.850 -3.131
108 HG13 ILE 13 3HG1 ILE 13 -12.871 -10.781 -1.547
109 HG21 ILE 13 1HG2 ILE 13 -14.914 -13.043 -2.050
110 HG22 ILE 13 2HG2 ILE 13 -15.266 -11.489 -1.294
111 HG23 ILE 13 3HG2 ILE 13 -16.180 -12.007 -2.711
112 HD11 ILE 13 3HD1 ILE 13 -12.965 -13.223 -1.497
113 HD12 ILE 13 1HD1 ILE 13 -12.176 -13.279 -3.074
114 HD13 ILE 13 2HD1 ILE 13 -11.315 -12.628 -1.678
115 H ALA 14 H ALA 14 -14.979 -10.216 -5.995
116 HA ALA 14 HA ALA 14 -17.754 -10.892 -5.947
117 HB1 ALA 14 3HB ALA 14 -16.107 -8.737 -6.972
118 HB2 ALA 14 1HB ALA 14 -17.396 -9.182 -8.092
119 HB3 ALA 14 2HB ALA 14 -17.787 -8.719 -6.434
120 H SER 15 H SER 15 -15.066 -11.718 -7.971
121 HA SER 15 HA SER 15 -16.423 -12.416 -10.327
122 HB2 SER 15 2HB SER 15 -13.789 -12.433 -9.481
123 HB3 SER 15 3HB SER 15 -14.145 -14.144 -9.713
124 HG SER 15 HG SER 15 -14.827 -12.219 -11.662
125 H HIS 16 H HIS 16 -15.857 -14.174 -7.339
126 HA HIS 16 HA HIS 16 -17.133 -16.567 -8.423
127 HB2 HIS 16 2HB HIS 16 -15.534 -15.959 -5.969
128 HB3 HIS 16 3HB HIS 16 -16.617 -17.348 -5.960
129 HD1 HIS 16 HD1 HIS 16 -15.598 -19.452 -6.756
130 HD2 HIS 16 HD2 HIS 16 -13.658 -16.117 -8.300
131 HE1 HIS 16 HE1 HIS 16 -13.659 -20.354 -8.079
132 H LYS 17 H LYS 17 -17.775 -13.878 -6.335
133 HA LYS 17 HA LYS 17 -19.939 -14.938 -4.875
134 HB2 LYS 17 2HB LYS 17 -18.700 -12.819 -4.348
135 HB3 LYS 17 3HB LYS 17 -19.539 -12.055 -5.692
136 HG2 LYS 17 2HG LYS 17 -20.898 -11.414 -3.993
137 HG3 LYS 17 3HG LYS 17 -21.668 -12.949 -4.404
138 HD2 LYS 17 2HD LYS 17 -19.481 -13.223 -2.489
139 HD3 LYS 17 3HD LYS 17 -20.799 -12.206 -1.904
140 HE2 LYS 17 2HE LYS 17 -22.331 -14.109 -2.736
141 HE3 LYS 17 3HE LYS 17 -20.862 -15.083 -2.744
142 HZ1 LYS 17 3HZ LYS 17 -22.144 -13.756 -0.427
143 HZ2 LYS 17 1HZ LYS 17 -20.569 -14.367 -0.369
144 HZ3 LYS 17 2HZ LYS 17 -21.870 -15.409 -0.658
145 H LYS 18 H LYS 18 -19.876 -12.970 -7.842
146 HA LYS 18 HA LYS 18 -22.339 -14.241 -8.718
147 HB2 LYS 18 2HB LYS 18 -22.975 -12.194 -7.382
148 HB3 LYS 18 3HB LYS 18 -22.155 -11.229 -8.602
149 HG2 LYS 18 2HG LYS 18 -23.698 -12.339 -10.291
150 HG3 LYS 18 3HG LYS 18 -24.625 -12.906 -8.900
151 HD2 LYS 18 2HD LYS 18 -25.725 -10.948 -9.302
152 HD3 LYS 18 3HD LYS 18 -24.464 -10.347 -8.222
153 HE2 LYS 18 2HE LYS 18 -23.250 -9.405 -9.966
154 HE3 LYS 18 3HE LYS 18 -24.025 -10.418 -11.183
155 HZ1 LYS 18 3HZ LYS 18 -26.132 -9.159 -10.568
156 HZ2 LYS 18 1HZ LYS 18 -24.967 -8.324 -11.468
157 HZ3 LYS 18 2HZ LYS 18 -25.114 -8.041 -9.808
158 H LYS 19 H LYS 19 -21.884 -14.918 -10.698
159 HA LYS 19 HA LYS 19 -20.158 -13.249 -12.403
160 HB2 LYS 19 2HB LYS 19 -19.280 -15.505 -11.881
161 HB3 LYS 19 3HB LYS 19 -20.716 -16.215 -12.609
162 HG2 LYS 19 2HG LYS 19 -19.361 -14.351 -14.383
163 HG3 LYS 19 3HG LYS 19 -18.336 -15.698 -13.880
164 HD2 LYS 19 2HD LYS 19 -19.488 -17.172 -15.111
165 HD3 LYS 19 3HD LYS 19 -21.044 -16.515 -14.598
166 HE2 LYS 19 2HE LYS 19 -21.220 -15.181 -16.408
167 HE3 LYS 19 3HE LYS 19 -19.498 -14.805 -16.426
168 HZ1 LYS 19 3HZ LYS 19 -19.365 -17.308 -17.179
169 HZ2 LYS 19 1HZ LYS 19 -19.644 -16.065 -18.293
170 HZ3 LYS 19 2HZ LYS 19 -20.937 -16.994 -17.724
171 H THR 20 H THR 20 -23.315 -14.371 -11.971
172 HA THR 20 HA THR 20 -24.285 -13.023 -14.264
173 HB THR 20 HB THR 20 -23.465 -14.955 -15.488
174 HG1 THR 20 HG1 THR 20 -25.700 -13.995 -15.824
175 HG21 THR 20 1HG2 THR 20 -24.488 -16.388 -13.195
176 HG22 THR 20 2HG2 THR 20 -23.372 -16.928 -14.449
177 HG23 THR 20 3HG2 THR 20 -25.113 -17.063 -14.699
178 H GLY 21 H GLY 21 -26.519 -12.769 -14.228
179 HA2 GLY 21 2HA GLY 21 -28.483 -14.206 -13.059
180 HA3 GLY 21 3HA GLY 21 -27.757 -13.385 -11.686
181 H GLY 22 H GLY 22 -28.345 -11.337 -11.245
182 HA2 GLY 22 2HA GLY 22 -29.256 -9.483 -13.189
183 HA3 GLY 22 3HA GLY 22 -30.627 -10.215 -12.369
184 H TYR 23 H TYR 23 -31.085 -9.665 -10.265
185 HA TYR 23 HA TYR 23 -29.559 -7.377 -9.221
186 HB2 TYR 23 2HB TYR 23 -32.380 -8.220 -8.531
187 HB3 TYR 23 3HB TYR 23 -31.573 -6.742 -8.022
188 HD1 TYR 23 HD1 TYR 23 -32.930 -8.538 -10.962
189 HD2 TYR 23 HD2 TYR 23 -31.551 -4.825 -9.408
190 HE1 TYR 23 HE1 TYR 23 -33.783 -7.391 -12.963
191 HE2 TYR 23 HE2 TYR 23 -32.401 -3.666 -11.405
192 HH TYR 23 HH TYR 23 -33.180 -3.966 -13.515
193 HA PRO 24 HA PRO 24 -28.232 -9.592 -5.674
194 HB2 PRO 24 2HB PRO 24 -28.322 -7.663 -3.764
195 HB3 PRO 24 3HB PRO 24 -27.107 -7.688 -5.047
196 HG2 PRO 24 2HG PRO 24 -29.635 -6.096 -4.863
197 HG3 PRO 24 3HG PRO 24 -28.024 -5.581 -5.399
198 HD2 PRO 24 2HD PRO 24 -30.008 -6.199 -7.135
199 HD3 PRO 24 3HD PRO 24 -28.295 -6.489 -7.500
200 H TRP 25 H TRP 25 -31.272 -7.854 -5.489
201 HA TRP 25 HA TRP 25 -32.152 -9.690 -3.358
202 HB2 TRP 25 2HB TRP 25 -33.397 -8.024 -2.388
203 HB3 TRP 25 3HB TRP 25 -32.110 -7.048 -3.089
204 HD1 TRP 25 HD1 TRP 25 -35.817 -7.493 -3.134
205 HE1 TRP 25 HE1 TRP 25 -36.874 -5.888 -4.848
206 HE3 TRP 25 HE3 TRP 25 -31.572 -5.962 -5.538
207 HZ2 TRP 25 HZ2 TRP 25 -36.020 -4.199 -6.942
208 HZ3 TRP 25 HZ3 TRP 25 -31.779 -4.351 -7.386
209 HH2 TRP 25 HH2 TRP 25 -33.958 -3.489 -8.072
210 H GLU 26 H GLU 26 -32.852 -8.340 -6.498
211 HA GLU 26 HA GLU 26 -35.351 -9.857 -6.659
212 HB2 GLU 26 2HB GLU 26 -34.413 -7.388 -7.793
213 HB3 GLU 26 3HB GLU 26 -34.877 -8.489 -9.083
214 HG2 GLU 26 2HG GLU 26 -36.899 -8.648 -7.140
215 HG3 GLU 26 3HG GLU 26 -36.529 -6.936 -7.345
216 H ARG 27 H ARG 27 -32.551 -10.972 -6.754
217 HA ARG 27 HA ARG 27 -31.793 -11.783 -9.285
218 HB2 ARG 27 2HB ARG 27 -30.720 -12.197 -6.930
219 HB3 ARG 27 3HB ARG 27 -31.625 -13.704 -6.995
220 HG2 ARG 27 2HG ARG 27 -30.173 -13.233 -9.449
221 HG3 ARG 27 3HG ARG 27 -29.106 -13.227 -8.042
222 HD2 ARG 27 2HD ARG 27 -31.051 -15.398 -8.817
223 HD3 ARG 27 3HD ARG 27 -29.294 -15.469 -8.944
224 HE ARG 27 HE ARG 27 -30.877 -15.859 -6.579
225 HH11 ARG 27 1HH1 ARG 27 -27.750 -14.955 -7.816
226 HH12 ARG 27 2HH1 ARG 27 -26.906 -15.390 -6.365
227 HH21 ARG 27 1HH2 ARG 27 -29.777 -16.433 -4.664
228 HH22 ARG 27 2HH2 ARG 27 -28.061 -16.231 -4.574
229 H GLY 28 H GLY 28 -34.427 -12.908 -7.301
230 HA2 GLY 28 2HA GLY 28 -35.972 -13.980 -9.274
231 HA3 GLY 28 3HA GLY 28 -34.903 -15.301 -8.826
232 H LYS 29 H LYS 29 -36.673 -12.795 -7.009
233 HA LYS 29 HA LYS 29 -37.250 -14.550 -4.851
234 HB2 LYS 29 2HB LYS 29 -38.578 -12.740 -3.959
235 HB3 LYS 29 3HB LYS 29 -37.088 -12.085 -4.625
236 HG2 LYS 29 2HG LYS 29 -38.433 -11.600 -6.731
237 HG3 LYS 29 3HG LYS 29 -39.864 -11.924 -5.749
238 HD2 LYS 29 2HD LYS 29 -38.891 -10.212 -4.108
239 HD3 LYS 29 3HD LYS 29 -37.822 -9.744 -5.432
240 HE2 LYS 29 2HE LYS 29 -40.022 -9.578 -6.801
241 HE3 LYS 29 3HE LYS 29 -40.798 -9.505 -5.220
242 HZ1 LYS 29 3HZ LYS 29 -39.386 -7.474 -6.620
243 HZ2 LYS 29 1HZ LYS 29 -38.709 -7.724 -5.090
244 HZ3 LYS 29 2HZ LYS 29 -40.351 -7.347 -5.236
245 H ALA 30 H ALA 30 -38.889 -13.722 -7.806
246 HA ALA 30 HA ALA 30 -41.117 -15.486 -7.019
247 HB1 ALA 30 3HB ALA 30 -41.908 -13.208 -7.206
248 HB2 ALA 30 1HB ALA 30 -41.216 -13.072 -8.824
249 HB3 ALA 30 2HB ALA 30 -42.559 -14.177 -8.528
Start of MODEL 5
1 H1 MET 1 H MET 1 2.650 2.298 -0.255
2 HA MET 1 HA MET 1 2.090 -0.476 -1.062
3 HB2 MET 1 2HB MET 1 1.431 0.525 1.391
4 HB3 MET 1 3HB MET 1 -0.029 0.870 0.474
5 HG2 MET 1 2HG MET 1 -0.550 -1.203 1.220
6 HG3 MET 1 3HG MET 1 0.275 -1.643 -0.274
7 HE1 MET 1 3HE MET 1 2.576 -2.612 -0.472
8 HE2 MET 1 1HE MET 1 3.094 -3.781 0.744
9 HE3 MET 1 2HE MET 1 1.492 -3.917 0.016
10 H LYS 2 H LYS 2 -0.102 -0.697 -2.082
11 HA LYS 2 HA LYS 2 -0.698 1.690 -3.705
12 HB2 LYS 2 2HB LYS 2 -0.610 -1.226 -4.411
13 HB3 LYS 2 3HB LYS 2 -1.605 -0.116 -5.346
14 HG2 LYS 2 2HG LYS 2 0.325 1.191 -5.941
15 HG3 LYS 2 3HG LYS 2 1.354 0.213 -4.891
16 HD2 LYS 2 2HD LYS 2 1.137 -1.684 -6.282
17 HD3 LYS 2 3HD LYS 2 -0.209 -0.970 -7.173
18 HE2 LYS 2 2HE LYS 2 1.580 0.877 -7.735
19 HE3 LYS 2 3HE LYS 2 2.715 -0.422 -7.373
20 HZ1 LYS 2 3HZ LYS 2 2.229 -1.464 -9.268
21 HZ2 LYS 2 1HZ LYS 2 1.532 -0.004 -9.766
22 HZ3 LYS 2 2HZ LYS 2 0.563 -1.222 -9.105
23 H THR 3 H THR 3 -2.471 2.582 -2.838
24 HA THR 3 HA THR 3 -4.449 1.345 -1.352
25 HB THR 3 HB THR 3 -5.648 3.454 -2.885
26 HG1 THR 3 HG1 THR 3 -4.073 4.864 -3.060
27 HG21 THR 3 1HG2 THR 3 -6.108 2.792 -0.518
28 HG22 THR 3 2HG2 THR 3 -5.837 4.520 -0.742
29 HG23 THR 3 3HG2 THR 3 -4.559 3.507 -0.071
30 H ILE 4 H ILE 4 -4.026 1.461 -4.802
31 HA ILE 4 HA ILE 4 -6.636 0.842 -5.625
32 HB ILE 4 HB ILE 4 -5.642 0.039 -7.706
33 HG12 ILE 4 2HG1 ILE 4 -2.902 0.554 -7.368
34 HG13 ILE 4 3HG1 ILE 4 -3.367 -0.427 -5.982
35 HG21 ILE 4 1HG2 ILE 4 -5.091 2.109 -8.412
36 HG22 ILE 4 2HG2 ILE 4 -5.610 2.567 -6.789
37 HG23 ILE 4 3HG2 ILE 4 -3.895 2.343 -7.137
38 HD11 ILE 4 3HD1 ILE 4 -2.687 -1.957 -7.601
39 HD12 ILE 4 1HD1 ILE 4 -4.449 -1.992 -7.676
40 HD13 ILE 4 2HD1 ILE 4 -3.531 -1.104 -8.893
41 H LEU 5 H LEU 5 -4.150 -1.108 -4.204
42 HA LEU 5 HA LEU 5 -4.893 -3.653 -5.054
43 HB2 LEU 5 2HB LEU 5 -3.818 -2.827 -2.361
44 HB3 LEU 5 3HB LEU 5 -3.829 -4.470 -3.001
45 HG LEU 5 HG LEU 5 -2.339 -2.212 -4.325
46 HD11 LEU 5 1HD1 LEU 5 -0.786 -4.192 -2.832
47 HD12 LEU 5 2HD1 LEU 5 -1.751 -3.114 -1.823
48 HD13 LEU 5 3HD1 LEU 5 -0.581 -2.445 -2.961
49 HD21 LEU 5 3HD2 LEU 5 -1.284 -3.871 -5.586
50 HD22 LEU 5 1HD2 LEU 5 -2.973 -4.375 -5.546
51 HD23 LEU 5 2HD2 LEU 5 -1.795 -5.158 -4.493
52 H ARG 6 H ARG 6 -6.071 -1.749 -2.304
53 HA ARG 6 HA ARG 6 -7.745 -3.640 -1.148
54 HB2 ARG 6 2HB ARG 6 -7.752 -0.649 -1.246
55 HB3 ARG 6 3HB ARG 6 -9.130 -1.486 -0.543
56 HG2 ARG 6 2HG ARG 6 -7.803 -2.452 1.153
57 HG3 ARG 6 3HG ARG 6 -6.305 -1.994 0.341
58 HD2 ARG 6 2HD ARG 6 -6.291 -0.025 1.372
59 HD3 ARG 6 3HD ARG 6 -7.920 0.331 0.797
60 HE ARG 6 HE ARG 6 -8.025 -1.455 2.984
61 HH11 ARG 6 1HH1 ARG 6 -7.402 1.882 2.210
62 HH12 ARG 6 2HH1 ARG 6 -7.909 2.471 3.758
63 HH21 ARG 6 1HH2 ARG 6 -8.695 -0.692 5.026
64 HH22 ARG 6 2HH2 ARG 6 -8.643 1.007 5.359
65 H PHE 7 H PHE 7 -8.196 -1.679 -4.001
66 HA PHE 7 HA PHE 7 -11.005 -2.149 -4.245
67 HB2 PHE 7 2HB PHE 7 -8.961 -1.208 -6.266
68 HB3 PHE 7 3HB PHE 7 -10.699 -1.240 -6.546
69 HD1 PHE 7 HD2 PHE 7 -8.076 0.233 -4.384
70 HD2 PHE 7 HD1 PHE 7 -12.056 0.531 -5.863
71 HE1 PHE 7 HE2 PHE 7 -8.273 2.475 -3.391
72 HE2 PHE 7 HE1 PHE 7 -12.260 2.774 -4.873
73 HZ PHE 7 HZ PHE 7 -10.367 3.749 -3.633
74 H VAL 8 H VAL 8 -8.248 -3.297 -6.200
75 HA VAL 8 HA VAL 8 -9.657 -5.200 -7.673
76 HB VAL 8 HB VAL 8 -7.337 -4.396 -8.168
77 HG11 VAL 8 1HG1 VAL 8 -6.392 -4.612 -5.935
78 HG12 VAL 8 2HG1 VAL 8 -6.581 -6.364 -6.010
79 HG13 VAL 8 3HG1 VAL 8 -5.458 -5.550 -7.098
80 HG21 VAL 8 3HG2 VAL 8 -8.179 -6.237 -9.425
81 HG22 VAL 8 1HG2 VAL 8 -6.523 -6.634 -8.963
82 HG23 VAL 8 2HG2 VAL 8 -7.879 -7.359 -8.099
83 H ALA 9 H ALA 9 -8.331 -5.344 -4.450
84 HA ALA 9 HA ALA 9 -8.215 -8.095 -4.048
85 HB1 ALA 9 3HB ALA 9 -8.405 -5.716 -2.333
86 HB2 ALA 9 1HB ALA 9 -8.970 -7.218 -1.602
87 HB3 ALA 9 2HB ALA 9 -7.326 -7.107 -2.233
88 H GLY 10 H GLY 10 -10.950 -5.997 -4.338
89 HA2 GLY 10 2HA GLY 10 -12.785 -7.906 -3.134
90 HA3 GLY 10 3HA GLY 10 -13.205 -6.343 -3.819
91 H TYR 11 H TYR 11 -11.929 -6.741 -6.350
92 HA TYR 11 HA TYR 11 -14.002 -7.829 -7.829
93 HB2 TYR 11 2HB TYR 11 -12.416 -6.366 -8.881
94 HB3 TYR 11 3HB TYR 11 -11.088 -7.469 -8.542
95 HD1 TYR 11 HD1 TYR 11 -14.467 -8.148 -9.966
96 HD2 TYR 11 HD2 TYR 11 -10.261 -8.127 -10.611
97 HE1 TYR 11 HE1 TYR 11 -14.804 -9.218 -12.155
98 HE2 TYR 11 HE2 TYR 11 -10.586 -9.195 -12.803
99 HH TYR 11 HH TYR 11 -12.654 -10.796 -13.780
100 H ASP 12 H ASP 12 -10.945 -9.346 -6.852
101 HA ASP 12 HA ASP 12 -11.276 -11.793 -8.143
102 HB2 ASP 12 2HB ASP 12 -9.287 -10.767 -6.711
103 HB3 ASP 12 3HB ASP 12 -10.011 -11.752 -5.443
104 H ILE 13 H ILE 13 -12.699 -10.565 -5.211
105 HA ILE 13 HA ILE 13 -13.715 -13.154 -4.402
106 HB ILE 13 HB ILE 13 -14.419 -10.451 -3.262
107 HG12 ILE 13 2HG1 ILE 13 -11.985 -10.838 -3.186
108 HG13 ILE 13 3HG1 ILE 13 -12.699 -10.861 -1.577
109 HG21 ILE 13 1HG2 ILE 13 -14.599 -13.213 -2.067
110 HG22 ILE 13 2HG2 ILE 13 -15.074 -11.704 -1.290
111 HG23 ILE 13 3HG2 ILE 13 -15.957 -12.284 -2.703
112 HD11 ILE 13 3HD1 ILE 13 -12.130 -13.354 -3.151
113 HD12 ILE 13 1HD1 ILE 13 -10.971 -12.620 -2.042
114 HD13 ILE 13 2HD1 ILE 13 -12.518 -13.212 -1.436
115 H ALA 14 H ALA 14 -14.835 -10.303 -6.077
116 HA ALA 14 HA ALA 14 -17.616 -10.933 -5.949
117 HB1 ALA 14 3HB ALA 14 -17.222 -8.683 -6.322
118 HB2 ALA 14 1HB ALA 14 -15.971 -8.996 -7.526
119 HB3 ALA 14 2HB ALA 14 -17.669 -9.261 -7.926
120 H SER 15 H SER 15 -14.985 -11.883 -7.992
121 HA SER 15 HA SER 15 -16.276 -12.597 -10.335
122 HB2 SER 15 2HB SER 15 -13.728 -12.801 -9.461
123 HB3 SER 15 3HB SER 15 -14.216 -14.492 -9.357
124 HG SER 15 HG SER 15 -14.874 -14.326 -11.565
125 H HIS 16 H HIS 16 -15.804 -14.542 -7.398
126 HA HIS 16 HA HIS 16 -17.434 -16.690 -8.451
127 HB2 HIS 16 2HB HIS 16 -16.908 -17.864 -6.412
128 HB3 HIS 16 3HB HIS 16 -15.433 -17.115 -7.018
129 HD1 HIS 16 HD1 HIS 16 -18.058 -16.634 -4.338
130 HD2 HIS 16 HD2 HIS 16 -14.200 -15.405 -5.268
131 HE1 HIS 16 HE1 HIS 16 -17.241 -15.394 -2.310
132 H LYS 17 H LYS 17 -17.740 -14.024 -6.206
133 HA LYS 17 HA LYS 17 -20.050 -14.771 -4.845
134 HB2 LYS 17 2HB LYS 17 -18.571 -12.778 -4.374
135 HB3 LYS 17 3HB LYS 17 -19.376 -11.955 -5.704
136 HG2 LYS 17 2HG LYS 17 -21.161 -11.470 -4.463
137 HG3 LYS 17 3HG LYS 17 -21.242 -13.097 -3.784
138 HD2 LYS 17 2HD LYS 17 -19.165 -11.120 -2.890
139 HD3 LYS 17 3HD LYS 17 -20.781 -11.146 -2.182
140 HE2 LYS 17 2HE LYS 17 -20.488 -13.351 -1.371
141 HE3 LYS 17 3HE LYS 17 -19.036 -13.591 -2.341
142 HZ1 LYS 17 3HZ LYS 17 -18.930 -11.379 -0.471
143 HZ2 LYS 17 1HZ LYS 17 -17.759 -12.543 -0.843
144 HZ3 LYS 17 2HZ LYS 17 -19.008 -12.913 0.236
145 H LYS 18 H LYS 18 -19.765 -12.822 -7.815
146 HA LYS 18 HA LYS 18 -22.406 -13.785 -8.629
147 HB2 LYS 18 2HB LYS 18 -21.781 -11.070 -7.824
148 HB3 LYS 18 3HB LYS 18 -22.346 -11.125 -9.489
149 HG2 LYS 18 2HG LYS 18 -23.966 -12.755 -7.713
150 HG3 LYS 18 3HG LYS 18 -23.919 -11.058 -7.231
151 HD2 LYS 18 2HD LYS 18 -24.241 -11.336 -10.092
152 HD3 LYS 18 3HD LYS 18 -25.510 -12.192 -9.214
153 HE2 LYS 18 2HE LYS 18 -24.825 -9.465 -8.283
154 HE3 LYS 18 3HE LYS 18 -25.664 -9.596 -9.828
155 HZ1 LYS 18 3HZ LYS 18 -26.647 -10.975 -7.405
156 HZ2 LYS 18 1HZ LYS 18 -27.490 -10.619 -8.827
157 HZ3 LYS 18 2HZ LYS 18 -27.080 -9.378 -7.755
158 H LYS 19 H LYS 19 -22.415 -14.432 -10.683
159 HA LYS 19 HA LYS 19 -20.770 -13.136 -12.677
160 HB2 LYS 19 2HB LYS 19 -19.261 -14.823 -11.621
161 HB3 LYS 19 3HB LYS 19 -20.386 -16.081 -12.115
162 HG2 LYS 19 2HG LYS 19 -19.929 -14.760 -14.465
163 HG3 LYS 19 3HG LYS 19 -18.362 -14.658 -13.660
164 HD2 LYS 19 2HD LYS 19 -18.231 -17.027 -13.447
165 HD3 LYS 19 3HD LYS 19 -19.910 -17.227 -13.955
166 HE2 LYS 19 2HE LYS 19 -19.085 -17.577 -16.001
167 HE3 LYS 19 3HE LYS 19 -18.794 -15.840 -16.048
168 HZ1 LYS 19 3HZ LYS 19 -16.665 -16.353 -16.323
169 HZ2 LYS 19 1HZ LYS 19 -16.917 -17.985 -15.954
170 HZ3 LYS 19 2HZ LYS 19 -16.639 -16.870 -14.713
171 H THR 20 H THR 20 -21.877 -13.035 -14.516
172 HA THR 20 HA THR 20 -23.574 -13.316 -16.017
173 HB THR 20 HB THR 20 -23.765 -15.462 -17.001
174 HG1 THR 20 HG1 THR 20 -23.891 -17.187 -15.791
175 HG21 THR 20 1HG2 THR 20 -21.347 -14.314 -16.633
176 HG22 THR 20 2HG2 THR 20 -21.606 -15.762 -17.607
177 HG23 THR 20 3HG2 THR 20 -21.049 -15.907 -15.940
178 H GLY 21 H GLY 21 -24.543 -12.757 -13.489
179 HA2 GLY 21 2HA GLY 21 -26.741 -14.637 -13.020
180 HA3 GLY 21 3HA GLY 21 -26.258 -13.324 -11.956
181 H GLY 22 H GLY 22 -26.467 -11.078 -13.120
182 HA2 GLY 22 2HA GLY 22 -28.364 -10.652 -15.121
183 HA3 GLY 22 3HA GLY 22 -29.227 -10.684 -13.591
184 H TYR 23 H TYR 23 -29.819 -8.514 -13.738
185 HA TYR 23 HA TYR 23 -27.609 -6.629 -13.257
186 HB2 TYR 23 2HB TYR 23 -30.130 -6.010 -14.808
187 HB3 TYR 23 3HB TYR 23 -28.779 -4.919 -14.522
188 HD1 TYR 23 HD2 TYR 23 -29.789 -8.022 -16.270
189 HD2 TYR 23 HD1 TYR 23 -26.875 -4.941 -15.928
190 HE1 TYR 23 HE2 TYR 23 -28.729 -8.802 -18.348
191 HE2 TYR 23 HE1 TYR 23 -25.807 -5.713 -18.004
192 HH TYR 23 HH TYR 23 -26.594 -8.698 -19.477
193 HA PRO 24 HA PRO 24 -29.740 -5.323 -9.650
194 HB2 PRO 24 2HB PRO 24 -29.119 -2.682 -9.577
195 HB3 PRO 24 3HB PRO 24 -27.945 -3.954 -9.222
196 HG2 PRO 24 2HG PRO 24 -28.355 -2.408 -11.752
197 HG3 PRO 24 3HG PRO 24 -26.840 -2.852 -10.946
198 HD2 PRO 24 2HD PRO 24 -27.803 -4.204 -13.085
199 HD3 PRO 24 3HD PRO 24 -26.868 -4.994 -11.798
200 H TRP 25 H TRP 25 -30.349 -3.596 -12.639
201 HA TRP 25 HA TRP 25 -32.977 -2.775 -11.589
202 HB2 TRP 25 2HB TRP 25 -32.871 -0.806 -12.763
203 HB3 TRP 25 3HB TRP 25 -31.151 -1.060 -12.478
204 HD1 TRP 25 HD1 TRP 25 -33.643 -0.621 -15.224
205 HE1 TRP 25 HE1 TRP 25 -32.484 -0.865 -17.510
206 HE3 TRP 25 HE3 TRP 25 -29.153 -2.502 -13.661
207 HZ2 TRP 25 HZ2 TRP 25 -29.995 -1.739 -18.516
208 HZ3 TRP 25 HZ3 TRP 25 -27.438 -3.016 -15.350
209 HH2 TRP 25 HH2 TRP 25 -27.853 -2.642 -17.726
210 H GLU 26 H GLU 26 -31.250 -4.375 -14.163
211 HA GLU 26 HA GLU 26 -33.762 -4.907 -15.579
212 HB2 GLU 26 2HB GLU 26 -31.013 -4.547 -16.398
213 HB3 GLU 26 3HB GLU 26 -31.641 -6.077 -16.993
214 HG2 GLU 26 2HG GLU 26 -33.647 -4.176 -17.465
215 HG3 GLU 26 3HG GLU 26 -32.126 -3.422 -17.941
216 H ARG 27 H ARG 27 -34.598 -6.436 -14.110
217 HA ARG 27 HA ARG 27 -33.217 -8.702 -13.189
218 HB2 ARG 27 2HB ARG 27 -35.471 -9.629 -12.723
219 HB3 ARG 27 3HB ARG 27 -35.264 -7.988 -12.125
220 HG2 ARG 27 2HG ARG 27 -37.239 -7.619 -13.103
221 HG3 ARG 27 3HG ARG 27 -36.296 -7.524 -14.592
222 HD2 ARG 27 2HD ARG 27 -38.211 -9.002 -14.871
223 HD3 ARG 27 3HD ARG 27 -36.700 -9.903 -14.996
224 HE ARG 27 HE ARG 27 -37.349 -11.126 -13.187
225 HH11 ARG 27 1HH1 ARG 27 -39.142 -8.142 -13.209
226 HH12 ARG 27 2HH1 ARG 27 -40.142 -8.581 -11.863
227 HH21 ARG 27 1HH2 ARG 27 -38.659 -11.716 -11.415
228 HH22 ARG 27 2HH2 ARG 27 -39.865 -10.614 -10.843
229 H GLY 28 H GLY 28 -34.801 -8.012 -16.207
230 HA2 GLY 28 2HA GLY 28 -33.590 -9.870 -17.761
231 HA3 GLY 28 3HA GLY 28 -34.920 -10.772 -17.049
232 H LYS 29 H LYS 29 -35.885 -11.077 -19.080
233 HA LYS 29 HA LYS 29 -36.782 -8.704 -20.524
234 HB2 LYS 29 2HB LYS 29 -37.068 -11.636 -21.206
235 HB3 LYS 29 3HB LYS 29 -37.530 -10.296 -22.246
236 HG2 LYS 29 2HG LYS 29 -35.096 -9.560 -22.105
237 HG3 LYS 29 3HG LYS 29 -34.777 -11.158 -21.425
238 HD2 LYS 29 2HD LYS 29 -34.379 -11.424 -23.712
239 HD3 LYS 29 3HD LYS 29 -36.009 -12.062 -23.487
240 HE2 LYS 29 2HE LYS 29 -36.987 -10.062 -24.348
241 HE3 LYS 29 3HE LYS 29 -35.430 -9.235 -24.351
242 HZ1 LYS 29 3HZ LYS 29 -35.497 -11.677 -25.893
243 HZ2 LYS 29 1HZ LYS 29 -34.856 -10.162 -26.289
244 HZ3 LYS 29 2HZ LYS 29 -36.511 -10.458 -26.481
245 H ALA 30 H ALA 30 -38.142 -11.593 -18.972
246 HA ALA 30 HA ALA 30 -40.478 -10.133 -18.158
247 HB1 ALA 30 3HB ALA 30 -41.275 -10.555 -20.339
248 HB2 ALA 30 1HB ALA 30 -40.689 -12.218 -20.314
249 HB3 ALA 30 2HB ALA 30 -42.056 -11.749 -19.302
Start of MODEL 6
1 H1 MET 1 H MET 1 1.634 1.844 0.941
2 HA MET 1 HA MET 1 1.569 -0.560 -0.717
3 HB2 MET 1 2HB MET 1 0.854 -0.353 1.803
4 HB3 MET 1 3HB MET 1 -0.655 0.238 1.119
5 HG2 MET 1 2HG MET 1 -1.318 -1.815 0.637
6 HG3 MET 1 3HG MET 1 0.181 -2.157 -0.223
7 HE1 MET 1 3HE MET 1 1.200 -4.949 1.231
8 HE2 MET 1 1HE MET 1 1.566 -3.596 0.160
9 HE3 MET 1 2HE MET 1 2.451 -3.787 1.674
10 H LYS 2 H LYS 2 0.581 -0.589 -2.619
11 HA LYS 2 HA LYS 2 -0.659 1.632 -3.773
12 HB2 LYS 2 2HB LYS 2 -0.597 -1.288 -4.465
13 HB3 LYS 2 3HB LYS 2 -1.586 -0.176 -5.400
14 HG2 LYS 2 2HG LYS 2 1.014 0.947 -5.114
15 HG3 LYS 2 3HG LYS 2 1.169 -0.723 -5.666
16 HD2 LYS 2 2HD LYS 2 -0.849 1.050 -6.964
17 HD3 LYS 2 3HD LYS 2 0.856 1.242 -7.383
18 HE2 LYS 2 2HE LYS 2 -0.535 -1.423 -7.449
19 HE3 LYS 2 3HE LYS 2 -0.518 -0.332 -8.833
20 HZ1 LYS 2 3HZ LYS 2 2.025 -1.027 -7.545
21 HZ2 LYS 2 1HZ LYS 2 1.711 -0.630 -9.159
22 HZ3 LYS 2 2HZ LYS 2 1.297 -2.159 -8.570
23 H THR 3 H THR 3 -2.420 2.541 -2.901
24 HA THR 3 HA THR 3 -4.401 1.327 -1.400
25 HB THR 3 HB THR 3 -5.661 3.407 -2.855
26 HG1 THR 3 HG1 THR 3 -3.941 5.036 -2.364
27 HG21 THR 3 1HG2 THR 3 -6.020 4.235 -0.777
28 HG22 THR 3 2HG2 THR 3 -4.330 4.061 -0.302
29 HG23 THR 3 3HG2 THR 3 -5.404 2.662 -0.273
30 H ILE 4 H ILE 4 -3.994 1.422 -4.851
31 HA ILE 4 HA ILE 4 -6.612 0.820 -5.659
32 HB ILE 4 HB ILE 4 -5.634 -0.001 -7.740
33 HG12 ILE 4 2HG1 ILE 4 -2.889 0.494 -7.419
34 HG13 ILE 4 3HG1 ILE 4 -3.355 -0.476 -6.026
35 HG21 ILE 4 1HG2 ILE 4 -3.845 2.269 -7.274
36 HG22 ILE 4 2HG2 ILE 4 -5.156 2.075 -8.437
37 HG23 ILE 4 3HG2 ILE 4 -5.514 2.542 -6.775
38 HD11 ILE 4 3HD1 ILE 4 -4.458 -2.039 -7.706
39 HD12 ILE 4 1HD1 ILE 4 -3.541 -1.166 -8.934
40 HD13 ILE 4 2HD1 ILE 4 -2.696 -2.019 -7.642
41 H LEU 5 H LEU 5 -4.134 -1.142 -4.241
42 HA LEU 5 HA LEU 5 -4.901 -3.687 -5.075
43 HB2 LEU 5 2HB LEU 5 -3.805 -2.855 -2.392
44 HB3 LEU 5 3HB LEU 5 -3.832 -4.500 -3.024
45 HG LEU 5 HG LEU 5 -2.332 -2.261 -4.366
46 HD11 LEU 5 1HD1 LEU 5 -1.739 -3.176 -1.862
47 HD12 LEU 5 2HD1 LEU 5 -0.579 -2.490 -2.999
48 HD13 LEU 5 3HD1 LEU 5 -0.773 -4.239 -2.886
49 HD21 LEU 5 3HD2 LEU 5 -1.813 -5.212 -4.523
50 HD22 LEU 5 1HD2 LEU 5 -1.295 -3.934 -5.624
51 HD23 LEU 5 2HD2 LEU 5 -2.989 -4.422 -5.575
52 H ARG 6 H ARG 6 -6.050 -1.759 -2.326
53 HA ARG 6 HA ARG 6 -7.731 -3.631 -1.154
54 HB2 ARG 6 2HB ARG 6 -7.924 -0.626 -1.328
55 HB3 ARG 6 3HB ARG 6 -9.048 -1.593 -0.382
56 HG2 ARG 6 2HG ARG 6 -7.107 -2.489 0.890
57 HG3 ARG 6 3HG ARG 6 -6.075 -1.355 0.016
58 HD2 ARG 6 2HD ARG 6 -6.537 0.136 1.603
59 HD3 ARG 6 3HD ARG 6 -8.178 0.196 0.960
60 HE ARG 6 HE ARG 6 -8.881 -0.854 2.853
61 HH11 ARG 6 1HH1 ARG 6 -5.495 -1.532 2.413
62 HH12 ARG 6 2HH1 ARG 6 -5.340 -2.398 3.905
63 HH21 ARG 6 1HH2 ARG 6 -8.690 -1.993 4.820
64 HH22 ARG 6 2HH2 ARG 6 -7.159 -2.661 5.273
65 H PHE 7 H PHE 7 -8.183 -1.681 -4.012
66 HA PHE 7 HA PHE 7 -10.996 -2.131 -4.238
67 HB2 PHE 7 2HB PHE 7 -8.956 -1.214 -6.275
68 HB3 PHE 7 3HB PHE 7 -10.696 -1.236 -6.547
69 HD1 PHE 7 HD2 PHE 7 -8.052 0.231 -4.407
70 HD2 PHE 7 HD1 PHE 7 -12.039 0.546 -5.863
71 HE1 PHE 7 HE2 PHE 7 -8.229 2.480 -3.425
72 HE2 PHE 7 HE1 PHE 7 -12.223 2.796 -4.883
73 HZ PHE 7 HZ PHE 7 -10.317 3.765 -3.662
74 H VAL 8 H VAL 8 -8.259 -3.309 -6.203
75 HA VAL 8 HA VAL 8 -9.691 -5.209 -7.659
76 HB VAL 8 HB VAL 8 -7.368 -4.424 -8.171
77 HG11 VAL 8 1HG1 VAL 8 -6.412 -4.638 -5.943
78 HG12 VAL 8 2HG1 VAL 8 -6.614 -6.390 -6.010
79 HG13 VAL 8 3HG1 VAL 8 -5.491 -5.587 -7.109
80 HG21 VAL 8 3HG2 VAL 8 -7.603 -7.426 -8.042
81 HG22 VAL 8 1HG2 VAL 8 -8.450 -6.422 -9.220
82 HG23 VAL 8 2HG2 VAL 8 -6.686 -6.468 -9.205
83 H ALA 9 H ALA 9 -8.348 -5.346 -4.444
84 HA ALA 9 HA ALA 9 -8.247 -8.096 -4.028
85 HB1 ALA 9 3HB ALA 9 -8.633 -5.747 -2.229
86 HB2 ALA 9 1HB ALA 9 -8.817 -7.378 -1.582
87 HB3 ALA 9 2HB ALA 9 -7.291 -6.888 -2.320
88 H GLY 10 H GLY 10 -10.970 -5.981 -4.314
89 HA2 GLY 10 2HA GLY 10 -12.812 -7.871 -3.091
90 HA3 GLY 10 3HA GLY 10 -13.225 -6.310 -3.784
91 H TYR 11 H TYR 11 -12.007 -6.696 -6.323
92 HA TYR 11 HA TYR 11 -14.084 -7.813 -7.768
93 HB2 TYR 11 2HB TYR 11 -12.521 -6.325 -8.834
94 HB3 TYR 11 3HB TYR 11 -11.186 -7.432 -8.535
95 HD1 TYR 11 HD1 TYR 11 -14.588 -8.171 -9.855
96 HD2 TYR 11 HD2 TYR 11 -10.414 -7.996 -10.663
97 HE1 TYR 11 HE1 TYR 11 -14.974 -9.220 -12.046
98 HE2 TYR 11 HE2 TYR 11 -10.789 -9.042 -12.857
99 HH TYR 11 HH TYR 11 -12.420 -9.518 -14.415
100 H ASP 12 H ASP 12 -10.986 -9.290 -6.860
101 HA ASP 12 HA ASP 12 -11.312 -11.741 -8.141
102 HB2 ASP 12 2HB ASP 12 -9.267 -10.761 -6.867
103 HB3 ASP 12 3HB ASP 12 -9.979 -11.540 -5.456
104 H ILE 13 H ILE 13 -12.734 -10.518 -5.217
105 HA ILE 13 HA ILE 13 -13.675 -13.119 -4.355
106 HB ILE 13 HB ILE 13 -14.436 -10.410 -3.265
107 HG12 ILE 13 2HG1 ILE 13 -12.018 -10.689 -3.138
108 HG13 ILE 13 3HG1 ILE 13 -12.724 -10.837 -1.533
109 HG21 ILE 13 1HG2 ILE 13 -15.915 -11.637 -2.129
110 HG22 ILE 13 2HG2 ILE 13 -15.153 -13.152 -2.611
111 HG23 ILE 13 3HG2 ILE 13 -14.531 -12.254 -1.227
112 HD11 ILE 13 3HD1 ILE 13 -12.685 -13.430 -2.439
113 HD12 ILE 13 1HD1 ILE 13 -11.190 -12.750 -3.078
114 HD13 ILE 13 2HD1 ILE 13 -11.516 -12.690 -1.346
115 H ALA 14 H ALA 14 -14.922 -10.277 -5.988
116 HA ALA 14 HA ALA 14 -17.667 -11.041 -5.872
117 HB1 ALA 14 3HB ALA 14 -17.278 -8.750 -6.185
118 HB2 ALA 14 1HB ALA 14 -16.149 -9.034 -7.510
119 HB3 ALA 14 2HB ALA 14 -17.873 -9.320 -7.744
120 H SER 15 H SER 15 -15.006 -11.792 -7.974
121 HA SER 15 HA SER 15 -16.294 -12.538 -10.307
122 HB2 SER 15 2HB SER 15 -13.804 -12.463 -9.914
123 HB3 SER 15 3HB SER 15 -13.951 -14.018 -9.096
124 HG SER 15 HG SER 15 -13.478 -14.499 -11.181
125 H HIS 16 H HIS 16 -15.997 -14.265 -7.267
126 HA HIS 16 HA HIS 16 -17.131 -16.702 -8.303
127 HB2 HIS 16 2HB HIS 16 -16.498 -15.782 -5.496
128 HB3 HIS 16 3HB HIS 16 -17.168 -17.367 -5.872
129 HD1 HIS 16 HD1 HIS 16 -15.598 -18.835 -7.572
130 HD2 HIS 16 HD2 HIS 16 -13.789 -15.695 -5.541
131 HE1 HIS 16 HE1 HIS 16 -13.128 -19.293 -7.689
132 H LYS 17 H LYS 17 -18.250 -13.909 -6.483
133 HA LYS 17 HA LYS 17 -20.717 -14.790 -5.611
134 HB2 LYS 17 2HB LYS 17 -19.809 -12.613 -4.998
135 HB3 LYS 17 3HB LYS 17 -19.969 -12.054 -6.658
136 HG2 LYS 17 2HG LYS 17 -22.347 -12.102 -6.526
137 HG3 LYS 17 3HG LYS 17 -22.298 -12.916 -4.960
138 HD2 LYS 17 2HD LYS 17 -22.576 -10.816 -4.173
139 HD3 LYS 17 3HD LYS 17 -20.828 -10.727 -4.402
140 HE2 LYS 17 2HE LYS 17 -21.191 -9.762 -6.634
141 HE3 LYS 17 3HE LYS 17 -22.932 -9.816 -6.363
142 HZ1 LYS 17 3HZ LYS 17 -22.253 -8.453 -4.241
143 HZ2 LYS 17 1HZ LYS 17 -22.491 -7.691 -5.733
144 HZ3 LYS 17 2HZ LYS 17 -20.923 -8.035 -5.200
145 H LYS 18 H LYS 18 -20.155 -12.957 -8.622
146 HA LYS 18 HA LYS 18 -21.823 -14.659 -10.175
147 HB2 LYS 18 2HB LYS 18 -23.375 -13.126 -8.684
148 HB3 LYS 18 3HB LYS 18 -23.003 -11.926 -9.916
149 HG2 LYS 18 2HG LYS 18 -24.393 -12.856 -11.380
150 HG3 LYS 18 3HG LYS 18 -23.774 -14.478 -11.061
151 HD2 LYS 18 2HD LYS 18 -25.191 -14.675 -9.111
152 HD3 LYS 18 3HD LYS 18 -25.741 -13.010 -9.305
153 HE2 LYS 18 2HE LYS 18 -27.477 -14.145 -10.283
154 HE3 LYS 18 3HE LYS 18 -26.449 -13.856 -11.686
155 HZ1 LYS 18 3HZ LYS 18 -26.028 -16.322 -10.170
156 HZ2 LYS 18 1HZ LYS 18 -25.871 -16.034 -11.830
157 HZ3 LYS 18 2HZ LYS 18 -27.406 -16.228 -11.146
158 H LYS 19 H LYS 19 -21.341 -14.436 -12.284
159 HA LYS 19 HA LYS 19 -19.273 -12.636 -13.056
160 HB2 LYS 19 2HB LYS 19 -19.787 -14.990 -13.974
161 HB3 LYS 19 3HB LYS 19 -20.993 -14.191 -14.975
162 HG2 LYS 19 2HG LYS 19 -18.467 -12.824 -15.146
163 HG3 LYS 19 3HG LYS 19 -18.285 -14.537 -15.534
164 HD2 LYS 19 2HD LYS 19 -19.451 -14.351 -17.450
165 HD3 LYS 19 3HD LYS 19 -20.635 -13.253 -16.736
166 HE2 LYS 19 2HE LYS 19 -19.602 -11.863 -18.246
167 HE3 LYS 19 3HE LYS 19 -18.647 -11.553 -16.797
168 HZ1 LYS 19 3HZ LYS 19 -17.767 -12.501 -19.277
169 HZ2 LYS 19 1HZ LYS 19 -17.517 -13.729 -18.141
170 HZ3 LYS 19 2HZ LYS 19 -16.851 -12.196 -17.888
171 H THR 20 H THR 20 -22.632 -12.330 -12.851
172 HA THR 20 HA THR 20 -22.520 -9.849 -14.416
173 HB THR 20 HB THR 20 -24.917 -10.346 -15.143
174 HG1 THR 20 HG1 THR 20 -25.520 -12.114 -14.025
175 HG21 THR 20 1HG2 THR 20 -22.397 -11.407 -16.204
176 HG22 THR 20 2HG2 THR 20 -23.670 -10.490 -17.010
177 HG23 THR 20 3HG2 THR 20 -23.836 -12.232 -16.802
178 H GLY 21 H GLY 21 -22.320 -8.866 -12.306
179 HA2 GLY 21 2HA GLY 21 -24.835 -8.026 -11.266
180 HA3 GLY 21 3HA GLY 21 -24.051 -9.152 -10.168
181 H GLY 22 H GLY 22 -22.868 -6.470 -12.203
182 HA2 GLY 22 2HA GLY 22 -22.196 -4.356 -11.272
183 HA3 GLY 22 3HA GLY 22 -21.880 -5.175 -9.749
184 H TYR 23 H TYR 23 -20.466 -3.831 -12.422
185 HA TYR 23 HA TYR 23 -18.043 -5.482 -12.141
186 HB2 TYR 23 2HB TYR 23 -18.792 -3.675 -14.447
187 HB3 TYR 23 3HB TYR 23 -17.407 -4.757 -14.369
188 HD1 TYR 23 HD1 TYR 23 -21.104 -4.648 -14.529
189 HD2 TYR 23 HD2 TYR 23 -17.612 -7.043 -14.948
190 HE1 TYR 23 HE1 TYR 23 -22.461 -6.442 -15.524
191 HE2 TYR 23 HE2 TYR 23 -18.960 -8.844 -15.945
192 HH TYR 23 HH TYR 23 -22.321 -8.378 -16.777
193 HA PRO 24 HA PRO 24 -15.794 -2.102 -10.475
194 HB2 PRO 24 2HB PRO 24 -13.337 -2.495 -11.560
195 HB3 PRO 24 3HB PRO 24 -14.004 -3.531 -10.292
196 HG2 PRO 24 2HG PRO 24 -13.898 -3.986 -13.249
197 HG3 PRO 24 3HG PRO 24 -13.569 -5.124 -11.929
198 HD2 PRO 24 2HD PRO 24 -15.919 -5.094 -13.273
199 HD3 PRO 24 3HD PRO 24 -15.806 -5.537 -11.557
200 H TRP 25 H TRP 25 -15.786 -2.532 -13.954
201 HA TRP 25 HA TRP 25 -15.217 0.342 -14.272
202 HB2 TRP 25 2HB TRP 25 -14.021 -0.070 -16.186
203 HB3 TRP 25 3HB TRP 25 -13.711 -1.577 -15.328
204 HD1 TRP 25 HD1 TRP 25 -15.144 -0.247 -18.509
205 HE1 TRP 25 HE1 TRP 25 -16.110 -2.176 -19.913
206 HE3 TRP 25 HE3 TRP 25 -15.021 -3.952 -14.989
207 HZ2 TRP 25 HZ2 TRP 25 -16.738 -4.907 -19.573
208 HZ3 TRP 25 HZ3 TRP 25 -15.824 -6.194 -15.609
209 HH2 TRP 25 HH2 TRP 25 -16.663 -6.659 -17.853
210 H GLU 26 H GLU 26 -17.351 -2.301 -15.066
211 HA GLU 26 HA GLU 26 -19.030 -0.520 -16.683
212 HB2 GLU 26 2HB GLU 26 -18.446 -3.352 -16.732
213 HB3 GLU 26 3HB GLU 26 -20.180 -3.078 -16.631
214 HG2 GLU 26 2HG GLU 26 -19.212 -1.278 -18.552
215 HG3 GLU 26 3HG GLU 26 -18.432 -2.825 -18.878
216 H ARG 27 H ARG 27 -19.884 0.706 -14.961
217 HA ARG 27 HA ARG 27 -22.080 -0.631 -13.581
218 HB2 ARG 27 2HB ARG 27 -19.797 -0.285 -12.195
219 HB3 ARG 27 3HB ARG 27 -20.544 1.282 -11.917
220 HG2 ARG 27 2HG ARG 27 -22.108 -1.221 -11.464
221 HG3 ARG 27 3HG ARG 27 -20.959 -0.654 -10.250
222 HD2 ARG 27 2HD ARG 27 -23.278 0.912 -11.378
223 HD3 ARG 27 3HD ARG 27 -23.210 0.164 -9.784
224 HE ARG 27 HE ARG 27 -22.055 2.659 -10.563
225 HH11 ARG 27 1HH1 ARG 27 -21.716 -0.053 -8.408
226 HH12 ARG 27 2HH1 ARG 27 -20.845 0.842 -7.208
227 HH21 ARG 27 1HH2 ARG 27 -20.908 3.849 -8.992
228 HH22 ARG 27 2HH2 ARG 27 -20.385 3.062 -7.541
229 H GLY 28 H GLY 28 -23.808 0.471 -14.227
230 HA2 GLY 28 2HA GLY 28 -25.202 2.391 -14.048
231 HA3 GLY 28 3HA GLY 28 -23.762 3.397 -13.993
232 H LYS 29 H LYS 29 -25.734 1.376 -16.120
233 HA LYS 29 HA LYS 29 -24.465 2.286 -18.517
234 HB2 LYS 29 2HB LYS 29 -26.317 1.131 -19.667
235 HB3 LYS 29 3HB LYS 29 -25.550 0.111 -18.456
236 HG2 LYS 29 2HG LYS 29 -27.665 1.457 -17.170
237 HG3 LYS 29 3HG LYS 29 -28.289 0.855 -18.707
238 HD2 LYS 29 2HD LYS 29 -27.078 -1.348 -18.022
239 HD3 LYS 29 3HD LYS 29 -27.144 -0.663 -16.397
240 HE2 LYS 29 2HE LYS 29 -29.688 -0.393 -17.716
241 HE3 LYS 29 3HE LYS 29 -29.156 -2.073 -17.741
242 HZ1 LYS 29 3HZ LYS 29 -29.698 -2.261 -15.618
243 HZ2 LYS 29 1HZ LYS 29 -30.282 -0.674 -15.618
244 HZ3 LYS 29 2HZ LYS 29 -28.675 -0.983 -15.192
245 H ALA 30 H ALA 30 -27.111 3.375 -16.549
246 HA ALA 30 HA ALA 30 -28.156 5.158 -18.579
247 HB1 ALA 30 3HB ALA 30 -29.986 4.863 -17.354
248 HB2 ALA 30 1HB ALA 30 -29.059 4.118 -16.051
249 HB3 ALA 30 2HB ALA 30 -29.249 5.870 -16.109
Start of MODEL 7
1 H1 MET 1 H MET 1 2.291 2.015 0.210
2 HA MET 1 HA MET 1 1.302 -0.662 -0.500
3 HB2 MET 1 2HB MET 1 0.916 1.041 1.791
4 HB3 MET 1 3HB MET 1 -0.634 0.682 1.041
5 HG2 MET 1 2HG MET 1 0.827 -1.731 1.147
6 HG3 MET 1 3HG MET 1 0.969 -0.956 2.723
7 HE1 MET 1 3HE MET 1 -2.348 -3.428 1.207
8 HE2 MET 1 1HE MET 1 -1.979 -2.157 0.042
9 HE3 MET 1 2HE MET 1 -0.696 -3.217 0.625
10 H LYS 2 H LYS 2 0.472 -0.611 -2.497
11 HA LYS 2 HA LYS 2 -0.681 1.676 -3.703
12 HB2 LYS 2 2HB LYS 2 -0.598 -1.243 -4.400
13 HB3 LYS 2 3HB LYS 2 -1.586 -0.133 -5.340
14 HG2 LYS 2 2HG LYS 2 0.593 1.256 -5.527
15 HG3 LYS 2 3HG LYS 2 1.386 -0.254 -5.070
16 HD2 LYS 2 2HD LYS 2 -0.419 -1.014 -7.030
17 HD3 LYS 2 3HD LYS 2 0.203 0.536 -7.604
18 HE2 LYS 2 2HE LYS 2 1.834 -1.873 -6.806
19 HE3 LYS 2 3HE LYS 2 1.568 -1.283 -8.446
20 HZ1 LYS 2 3HZ LYS 2 3.314 0.032 -8.208
21 HZ2 LYS 2 1HZ LYS 2 3.552 -0.514 -6.624
22 HZ3 LYS 2 2HZ LYS 2 2.569 0.829 -6.916
23 H THR 3 H THR 3 -2.452 2.573 -2.839
24 HA THR 3 HA THR 3 -4.436 1.343 -1.354
25 HB THR 3 HB THR 3 -5.689 3.426 -2.824
26 HG1 THR 3 HG1 THR 3 -3.916 5.025 -2.171
27 HG21 THR 3 1HG2 THR 3 -4.598 3.036 -0.070
28 HG22 THR 3 2HG2 THR 3 -6.263 3.284 -0.595
29 HG23 THR 3 3HG2 THR 3 -5.137 4.640 -0.563
30 H ILE 4 H ILE 4 -4.007 1.452 -4.803
31 HA ILE 4 HA ILE 4 -6.617 0.836 -5.629
32 HB ILE 4 HB ILE 4 -5.620 0.025 -7.705
33 HG12 ILE 4 2HG1 ILE 4 -2.880 0.536 -7.365
34 HG13 ILE 4 3HG1 ILE 4 -3.350 -0.439 -5.977
35 HG21 ILE 4 1HG2 ILE 4 -4.180 2.470 -6.687
36 HG22 ILE 4 2HG2 ILE 4 -4.499 2.059 -8.372
37 HG23 ILE 4 3HG2 ILE 4 -5.837 2.448 -7.290
38 HD11 ILE 4 3HD1 ILE 4 -4.433 -2.006 -7.669
39 HD12 ILE 4 1HD1 ILE 4 -3.512 -1.125 -8.886
40 HD13 ILE 4 2HD1 ILE 4 -2.671 -1.977 -7.590
41 H LEU 5 H LEU 5 -4.137 -1.116 -4.200
42 HA LEU 5 HA LEU 5 -4.886 -3.663 -5.045
43 HB2 LEU 5 2HB LEU 5 -3.812 -2.832 -2.353
44 HB3 LEU 5 3HB LEU 5 -3.826 -4.476 -2.989
45 HG LEU 5 HG LEU 5 -2.329 -2.225 -4.314
46 HD11 LEU 5 1HD1 LEU 5 -1.746 -3.125 -1.812
47 HD12 LEU 5 2HD1 LEU 5 -0.573 -2.463 -2.949
48 HD13 LEU 5 3HD1 LEU 5 -0.784 -4.208 -2.818
49 HD21 LEU 5 3HD2 LEU 5 -2.967 -4.385 -5.538
50 HD22 LEU 5 1HD2 LEU 5 -1.797 -5.173 -4.479
51 HD23 LEU 5 2HD2 LEU 5 -1.273 -3.890 -5.570
52 H ARG 6 H ARG 6 -6.063 -1.748 -2.300
53 HA ARG 6 HA ARG 6 -7.742 -3.630 -1.142
54 HB2 ARG 6 2HB ARG 6 -8.156 -0.642 -1.341
55 HB3 ARG 6 3HB ARG 6 -8.987 -1.712 -0.219
56 HG2 ARG 6 2HG ARG 6 -6.413 -2.299 0.352
57 HG3 ARG 6 3HG ARG 6 -6.270 -0.604 -0.119
58 HD2 ARG 6 2HD ARG 6 -8.361 -1.527 1.825
59 HD3 ARG 6 3HD ARG 6 -6.722 -1.142 2.350
60 HE ARG 6 HE ARG 6 -8.776 0.707 1.671
61 HH11 ARG 6 1HH1 ARG 6 -5.332 0.210 1.574
62 HH12 ARG 6 2HH1 ARG 6 -4.954 1.900 1.599
63 HH21 ARG 6 1HH2 ARG 6 -8.293 2.936 1.705
64 HH22 ARG 6 2HH2 ARG 6 -6.640 3.451 1.675
65 H PHE 7 H PHE 7 -8.185 -1.676 -4.000
66 HA PHE 7 HA PHE 7 -10.995 -2.139 -4.245
67 HB2 PHE 7 2HB PHE 7 -8.947 -1.207 -6.266
68 HB3 PHE 7 3HB PHE 7 -10.684 -1.238 -6.549
69 HD1 PHE 7 HD2 PHE 7 -8.061 0.238 -4.388
70 HD2 PHE 7 HD1 PHE 7 -12.040 0.536 -5.870
71 HE1 PHE 7 HE2 PHE 7 -8.256 2.482 -3.401
72 HE2 PHE 7 HE1 PHE 7 -12.240 2.783 -4.886
73 HZ PHE 7 HZ PHE 7 -10.347 3.758 -3.649
74 H VAL 8 H VAL 8 -8.239 -3.299 -6.195
75 HA VAL 8 HA VAL 8 -9.651 -5.202 -7.664
76 HB VAL 8 HB VAL 8 -7.330 -4.405 -8.159
77 HG11 VAL 8 1HG1 VAL 8 -6.387 -4.618 -5.925
78 HG12 VAL 8 2HG1 VAL 8 -6.579 -6.371 -5.997
79 HG13 VAL 8 3HG1 VAL 8 -5.454 -5.561 -7.087
80 HG21 VAL 8 3HG2 VAL 8 -6.524 -6.640 -8.960
81 HG22 VAL 8 1HG2 VAL 8 -7.869 -7.367 -8.082
82 HG23 VAL 8 2HG2 VAL 8 -8.184 -6.250 -9.409
83 H ALA 9 H ALA 9 -8.329 -5.341 -4.441
84 HA ALA 9 HA ALA 9 -8.218 -8.092 -4.031
85 HB1 ALA 9 3HB ALA 9 -8.519 -5.722 -2.277
86 HB2 ALA 9 1HB ALA 9 -8.893 -7.300 -1.585
87 HB3 ALA 9 2HB ALA 9 -7.295 -6.993 -2.270
88 H GLY 10 H GLY 10 -10.949 -5.989 -4.330
89 HA2 GLY 10 2HA GLY 10 -12.786 -7.902 -3.130
90 HA3 GLY 10 3HA GLY 10 -13.204 -6.330 -3.797
91 H TYR 11 H TYR 11 -11.912 -6.724 -6.334
92 HA TYR 11 HA TYR 11 -13.996 -7.774 -7.826
93 HB2 TYR 11 2HB TYR 11 -12.387 -6.323 -8.862
94 HB3 TYR 11 3HB TYR 11 -11.075 -7.449 -8.529
95 HD1 TYR 11 HD1 TYR 11 -14.465 -7.963 -10.014
96 HD2 TYR 11 HD2 TYR 11 -10.251 -8.205 -10.553
97 HE1 TYR 11 HE1 TYR 11 -14.812 -9.008 -12.214
98 HE2 TYR 11 HE2 TYR 11 -10.587 -9.250 -12.754
99 HH TYR 11 HH TYR 11 -13.512 -10.521 -13.758
100 H ASP 12 H ASP 12 -10.949 -9.335 -6.878
101 HA ASP 12 HA ASP 12 -11.326 -11.770 -8.179
102 HB2 ASP 12 2HB ASP 12 -9.310 -10.775 -6.759
103 HB3 ASP 12 3HB ASP 12 -10.030 -11.765 -5.493
104 H ILE 13 H ILE 13 -12.704 -10.538 -5.228
105 HA ILE 13 HA ILE 13 -13.724 -13.112 -4.390
106 HB ILE 13 HB ILE 13 -14.445 -10.390 -3.305
107 HG12 ILE 13 2HG1 ILE 13 -12.012 -10.762 -3.201
108 HG13 ILE 13 3HG1 ILE 13 -12.736 -10.776 -1.596
109 HG21 ILE 13 1HG2 ILE 13 -14.605 -13.111 -2.019
110 HG22 ILE 13 2HG2 ILE 13 -15.149 -11.581 -1.333
111 HG23 ILE 13 3HG2 ILE 13 -15.969 -12.257 -2.741
112 HD11 ILE 13 3HD1 ILE 13 -12.699 -13.433 -2.632
113 HD12 ILE 13 1HD1 ILE 13 -11.093 -12.720 -2.776
114 HD13 ILE 13 2HD1 ILE 13 -11.894 -12.779 -1.206
115 H ALA 14 H ALA 14 -14.871 -10.282 -6.096
116 HA ALA 14 HA ALA 14 -17.643 -10.943 -5.974
117 HB1 ALA 14 3HB ALA 14 -16.135 -8.756 -6.823
118 HB2 ALA 14 1HB ALA 14 -16.962 -9.339 -8.268
119 HB3 ALA 14 2HB ALA 14 -17.891 -8.909 -6.832
120 H SER 15 H SER 15 -14.997 -11.892 -7.999
121 HA SER 15 HA SER 15 -16.260 -12.645 -10.338
122 HB2 SER 15 2HB SER 15 -13.914 -12.802 -10.340
123 HB3 SER 15 3HB SER 15 -13.889 -13.779 -8.872
124 HG SER 15 HG SER 15 -14.044 -14.570 -11.448
125 H HIS 16 H HIS 16 -15.726 -14.644 -7.438
126 HA HIS 16 HA HIS 16 -17.388 -16.764 -8.465
127 HB2 HIS 16 2HB HIS 16 -16.900 -17.902 -6.372
128 HB3 HIS 16 3HB HIS 16 -15.416 -17.233 -7.046
129 HD1 HIS 16 HD1 HIS 16 -17.928 -16.588 -4.300
130 HD2 HIS 16 HD2 HIS 16 -14.083 -15.477 -5.412
131 HE1 HIS 16 HE1 HIS 16 -17.010 -15.299 -2.346
132 H LYS 17 H LYS 17 -17.733 -14.039 -6.322
133 HA LYS 17 HA LYS 17 -20.018 -14.773 -4.908
134 HB2 LYS 17 2HB LYS 17 -18.499 -12.678 -4.693
135 HB3 LYS 17 3HB LYS 17 -19.587 -11.962 -5.876
136 HG2 LYS 17 2HG LYS 17 -21.074 -11.502 -4.304
137 HG3 LYS 17 3HG LYS 17 -21.107 -13.187 -3.779
138 HD2 LYS 17 2HD LYS 17 -20.390 -12.117 -1.865
139 HD3 LYS 17 3HD LYS 17 -18.856 -12.572 -2.610
140 HE2 LYS 17 2HE LYS 17 -18.482 -10.363 -2.054
141 HE3 LYS 17 3HE LYS 17 -19.012 -10.232 -3.731
142 HZ1 LYS 17 3HZ LYS 17 -21.181 -9.599 -3.020
143 HZ2 LYS 17 1HZ LYS 17 -20.072 -8.617 -2.203
144 HZ3 LYS 17 2HZ LYS 17 -20.815 -9.904 -1.397
145 H LYS 18 H LYS 18 -19.781 -12.986 -7.979
146 HA LYS 18 HA LYS 18 -22.358 -14.081 -8.783
147 HB2 LYS 18 2HB LYS 18 -22.452 -11.684 -7.610
148 HB3 LYS 18 3HB LYS 18 -22.020 -11.159 -9.232
149 HG2 LYS 18 2HG LYS 18 -24.245 -11.119 -9.524
150 HG3 LYS 18 3HG LYS 18 -24.034 -12.849 -9.808
151 HD2 LYS 18 2HD LYS 18 -24.258 -12.317 -6.989
152 HD3 LYS 18 3HD LYS 18 -25.627 -11.615 -7.856
153 HE2 LYS 18 2HE LYS 18 -25.605 -13.970 -9.059
154 HE3 LYS 18 3HE LYS 18 -24.804 -14.461 -7.568
155 HZ1 LYS 18 3HZ LYS 18 -27.447 -13.117 -7.749
156 HZ2 LYS 18 1HZ LYS 18 -26.679 -13.590 -6.317
157 HZ3 LYS 18 2HZ LYS 18 -27.195 -14.758 -7.425
158 H LYS 19 H LYS 19 -21.927 -14.994 -10.674
159 HA LYS 19 HA LYS 19 -19.765 -14.127 -12.344
160 HB2 LYS 19 2HB LYS 19 -20.813 -16.520 -12.002
161 HB3 LYS 19 3HB LYS 19 -21.882 -16.011 -13.303
162 HG2 LYS 19 2HG LYS 19 -19.097 -15.470 -13.903
163 HG3 LYS 19 3HG LYS 19 -19.398 -17.179 -13.577
164 HD2 LYS 19 2HD LYS 19 -21.146 -15.599 -15.440
165 HD3 LYS 19 3HD LYS 19 -19.651 -16.356 -15.993
166 HE2 LYS 19 2HE LYS 19 -21.403 -18.110 -14.424
167 HE3 LYS 19 3HE LYS 19 -22.094 -17.562 -15.950
168 HZ1 LYS 19 3HZ LYS 19 -19.872 -19.360 -15.466
169 HZ2 LYS 19 1HZ LYS 19 -19.643 -18.255 -16.726
170 HZ3 LYS 19 2HZ LYS 19 -20.965 -19.311 -16.756
171 H THR 20 H THR 20 -22.997 -13.199 -11.997
172 HA THR 20 HA THR 20 -22.847 -11.676 -14.497
173 HB THR 20 HB THR 20 -24.243 -13.532 -15.106
174 HG1 THR 20 HG1 THR 20 -24.959 -11.375 -15.698
175 HG21 THR 20 1HG2 THR 20 -25.423 -14.646 -13.582
176 HG22 THR 20 2HG2 THR 20 -26.500 -13.259 -13.413
177 HG23 THR 20 3HG2 THR 20 -25.076 -13.401 -12.383
178 H GLY 21 H GLY 21 -23.135 -9.590 -14.079
179 HA2 GLY 21 2HA GLY 21 -24.943 -8.039 -13.182
180 HA3 GLY 21 3HA GLY 21 -24.644 -8.852 -11.653
181 H GLY 22 H GLY 22 -22.688 -7.320 -14.221
182 HA2 GLY 22 2HA GLY 22 -21.742 -5.092 -13.252
183 HA3 GLY 22 3HA GLY 22 -20.968 -6.195 -12.124
184 H TYR 23 H TYR 23 -19.638 -4.400 -13.903
185 HA TYR 23 HA TYR 23 -18.219 -6.349 -15.594
186 HB2 TYR 23 2HB TYR 23 -18.621 -3.419 -16.226
187 HB3 TYR 23 3HB TYR 23 -17.814 -4.611 -17.240
188 HD1 TYR 23 HD1 TYR 23 -21.093 -3.620 -15.836
189 HD2 TYR 23 HD2 TYR 23 -19.046 -5.998 -18.708
190 HE1 TYR 23 HE1 TYR 23 -23.235 -4.127 -16.932
191 HE2 TYR 23 HE2 TYR 23 -21.183 -6.512 -19.813
192 HH TYR 23 HH TYR 23 -23.371 -6.156 -19.845
193 HA PRO 24 HA PRO 24 -14.499 -5.204 -13.568
194 HB2 PRO 24 2HB PRO 24 -12.695 -5.406 -15.585
195 HB3 PRO 24 3HB PRO 24 -13.450 -6.814 -14.827
196 HG2 PRO 24 2HG PRO 24 -14.147 -5.444 -17.396
197 HG3 PRO 24 3HG PRO 24 -14.047 -7.179 -17.044
198 HD2 PRO 24 2HD PRO 24 -16.402 -5.846 -17.141
199 HD3 PRO 24 3HD PRO 24 -16.131 -7.229 -16.059
200 H TRP 25 H TRP 25 -15.378 -3.484 -16.493
201 HA TRP 25 HA TRP 25 -13.767 -1.189 -15.587
202 HB2 TRP 25 2HB TRP 25 -13.262 -0.641 -17.756
203 HB3 TRP 25 3HB TRP 25 -13.424 -2.386 -17.935
204 HD1 TRP 25 HD1 TRP 25 -14.809 0.841 -19.205
205 HE1 TRP 25 HE1 TRP 25 -16.741 0.384 -20.843
206 HE3 TRP 25 HE3 TRP 25 -15.489 -4.142 -18.289
207 HZ2 TRP 25 HZ2 TRP 25 -18.343 -1.800 -21.640
208 HZ3 TRP 25 HZ3 TRP 25 -17.242 -5.341 -19.531
209 HH2 TRP 25 HH2 TRP 25 -18.639 -4.193 -21.171
210 H GLU 26 H GLU 26 -16.905 -2.304 -16.625
211 HA GLU 26 HA GLU 26 -18.005 0.402 -16.360
212 HB2 GLU 26 2HB GLU 26 -18.649 -1.895 -17.993
213 HB3 GLU 26 3HB GLU 26 -20.060 -1.362 -17.089
214 HG2 GLU 26 2HG GLU 26 -18.862 0.960 -18.109
215 HG3 GLU 26 3HG GLU 26 -18.857 -0.219 -19.418
216 H ARG 27 H ARG 27 -17.914 0.524 -14.085
217 HA ARG 27 HA ARG 27 -19.644 -1.348 -12.626
218 HB2 ARG 27 2HB ARG 27 -17.402 -1.166 -11.720
219 HB3 ARG 27 3HB ARG 27 -17.543 0.586 -11.637
220 HG2 ARG 27 2HG ARG 27 -19.691 -0.666 -10.193
221 HG3 ARG 27 3HG ARG 27 -18.127 -1.263 -9.635
222 HD2 ARG 27 2HD ARG 27 -17.460 0.788 -8.875
223 HD3 ARG 27 3HD ARG 27 -18.442 1.662 -10.051
224 HE ARG 27 HE ARG 27 -20.160 0.352 -8.279
225 HH11 ARG 27 1HH1 ARG 27 -17.817 2.927 -8.274
226 HH12 ARG 27 2HH1 ARG 27 -18.578 3.794 -6.982
227 HH21 ARG 27 1HH2 ARG 27 -21.173 1.484 -6.576
228 HH22 ARG 27 2HH2 ARG 27 -20.487 2.971 -6.017
229 H GLY 28 H GLY 28 -19.282 1.975 -13.577
230 HA2 GLY 28 2HA GLY 28 -21.658 2.984 -13.631
231 HA3 GLY 28 3HA GLY 28 -21.568 2.746 -11.892
232 H LYS 29 H LYS 29 -18.588 3.387 -12.125
233 HA LYS 29 HA LYS 29 -18.688 6.031 -11.280
234 HB2 LYS 29 2HB LYS 29 -16.280 6.051 -11.487
235 HB3 LYS 29 3HB LYS 29 -16.792 4.480 -10.886
236 HG2 LYS 29 2HG LYS 29 -15.390 3.706 -12.452
237 HG3 LYS 29 3HG LYS 29 -16.750 3.995 -13.539
238 HD2 LYS 29 2HD LYS 29 -15.787 6.339 -13.843
239 HD3 LYS 29 3HD LYS 29 -14.328 5.714 -13.071
240 HE2 LYS 29 2HE LYS 29 -13.849 4.297 -14.825
241 HE3 LYS 29 3HE LYS 29 -15.526 4.226 -15.364
242 HZ1 LYS 29 3HZ LYS 29 -13.444 6.077 -16.088
243 HZ2 LYS 29 1HZ LYS 29 -14.905 6.832 -15.690
244 HZ3 LYS 29 2HZ LYS 29 -14.862 5.667 -16.914
245 H ALA 30 H ALA 30 -18.332 4.701 -14.505
246 HA ALA 30 HA ALA 30 -17.521 7.042 -15.835
247 HB1 ALA 30 3HB ALA 30 -19.264 5.018 -17.172
248 HB2 ALA 30 1HB ALA 30 -17.871 5.895 -17.805
249 HB3 ALA 30 2HB ALA 30 -17.636 4.576 -16.656
Start of MODEL 8
1 H1 MET 1 H MET 1 0.230 -0.877 0.044
2 HA MET 1 HA MET 1 2.415 1.052 -0.367
3 HB2 MET 1 2HB MET 1 2.145 -1.743 -1.393
4 HB3 MET 1 3HB MET 1 2.938 -0.542 -2.402
5 HG2 MET 1 2HG MET 1 4.812 -0.748 -1.255
6 HG3 MET 1 3HG MET 1 3.976 -0.375 0.250
7 HE1 MET 1 3HE MET 1 3.614 -3.846 -2.087
8 HE2 MET 1 1HE MET 1 5.052 -2.847 -2.295
9 HE3 MET 1 2HE MET 1 5.169 -4.397 -1.463
10 H LYS 2 H LYS 2 -0.113 -0.803 -2.063
11 HA LYS 2 HA LYS 2 -0.660 1.607 -3.671
12 HB2 LYS 2 2HB LYS 2 -0.608 -1.294 -4.443
13 HB3 LYS 2 3HB LYS 2 -1.599 -0.154 -5.343
14 HG2 LYS 2 2HG LYS 2 1.101 0.824 -4.959
15 HG3 LYS 2 3HG LYS 2 1.064 -0.736 -5.787
16 HD2 LYS 2 2HD LYS 2 -0.928 1.205 -6.732
17 HD3 LYS 2 3HD LYS 2 0.751 1.678 -7.006
18 HE2 LYS 2 2HE LYS 2 -0.330 -1.027 -7.758
19 HE3 LYS 2 3HE LYS 2 -0.361 0.352 -8.855
20 HZ1 LYS 2 3HZ LYS 2 1.987 0.455 -8.858
21 HZ2 LYS 2 1HZ LYS 2 1.587 -1.170 -9.104
22 HZ3 LYS 2 2HZ LYS 2 2.123 -0.651 -7.586
23 H THR 3 H THR 3 -2.415 2.496 -2.766
24 HA THR 3 HA THR 3 -4.392 1.246 -1.290
25 HB THR 3 HB THR 3 -5.606 3.392 -2.738
26 HG1 THR 3 HG1 THR 3 -3.101 4.147 -1.643
27 HG21 THR 3 1HG2 THR 3 -5.551 4.484 -0.537
28 HG22 THR 3 2HG2 THR 3 -4.438 3.246 0.043
29 HG23 THR 3 3HG2 THR 3 -6.082 2.807 -0.418
30 H ILE 4 H ILE 4 -4.000 1.436 -4.740
31 HA ILE 4 HA ILE 4 -6.624 0.862 -5.553
32 HB ILE 4 HB ILE 4 -5.657 0.096 -7.660
33 HG12 ILE 4 2HG1 ILE 4 -2.908 0.578 -7.336
34 HG13 ILE 4 3HG1 ILE 4 -3.370 -0.430 -5.970
35 HG21 ILE 4 1HG2 ILE 4 -3.930 2.405 -6.930
36 HG22 ILE 4 2HG2 ILE 4 -4.954 2.162 -8.343
37 HG23 ILE 4 3HG2 ILE 4 -5.678 2.586 -6.793
38 HD11 ILE 4 3HD1 ILE 4 -4.485 -1.942 -7.690
39 HD12 ILE 4 1HD1 ILE 4 -3.568 -1.037 -8.894
40 HD13 ILE 4 2HD1 ILE 4 -2.724 -1.930 -7.628
41 H LEU 5 H LEU 5 -4.144 -1.144 -4.200
42 HA LEU 5 HA LEU 5 -4.921 -3.662 -5.101
43 HB2 LEU 5 2HB LEU 5 -3.812 -2.907 -2.401
44 HB3 LEU 5 3HB LEU 5 -3.847 -4.535 -3.077
45 HG LEU 5 HG LEU 5 -2.346 -2.265 -4.363
46 HD11 LEU 5 1HD1 LEU 5 -0.588 -2.537 -3.011
47 HD12 LEU 5 2HD1 LEU 5 -0.788 -4.287 -2.944
48 HD13 LEU 5 3HD1 LEU 5 -1.746 -3.251 -1.888
49 HD21 LEU 5 3HD2 LEU 5 -1.836 -5.211 -4.606
50 HD22 LEU 5 1HD2 LEU 5 -1.320 -3.905 -5.672
51 HD23 LEU 5 2HD2 LEU 5 -3.016 -4.391 -5.629
52 H ARG 6 H ARG 6 -6.055 -1.808 -2.297
53 HA ARG 6 HA ARG 6 -7.736 -3.708 -1.168
54 HB2 ARG 6 2HB ARG 6 -7.867 -0.701 -1.246
55 HB3 ARG 6 3HB ARG 6 -9.061 -1.656 -0.378
56 HG2 ARG 6 2HG ARG 6 -6.775 -2.713 0.600
57 HG3 ARG 6 3HG ARG 6 -6.269 -1.051 0.295
58 HD2 ARG 6 2HD ARG 6 -7.153 -0.626 2.311
59 HD3 ARG 6 3HD ARG 6 -8.700 -0.682 1.468
60 HE ARG 6 HE ARG 6 -7.929 -3.276 2.295
61 HH11 ARG 6 1HH1 ARG 6 -9.163 -0.260 3.521
62 HH12 ARG 6 2HH1 ARG 6 -9.977 -0.989 4.865
63 HH21 ARG 6 1HH2 ARG 6 -8.996 -4.247 4.062
64 HH22 ARG 6 2HH2 ARG 6 -9.880 -3.257 5.173
65 H PHE 7 H PHE 7 -8.194 -1.678 -3.971
66 HA PHE 7 HA PHE 7 -11.009 -2.115 -4.197
67 HB2 PHE 7 2HB PHE 7 -8.976 -1.147 -6.216
68 HB3 PHE 7 3HB PHE 7 -10.716 -1.157 -6.482
69 HD1 PHE 7 HD2 PHE 7 -8.059 0.241 -4.312
70 HD2 PHE 7 HD1 PHE 7 -12.050 0.611 -5.744
71 HE1 PHE 7 HE2 PHE 7 -8.225 2.462 -3.266
72 HE2 PHE 7 HE1 PHE 7 -12.222 2.833 -4.701
73 HZ PHE 7 HZ PHE 7 -10.309 3.761 -3.459
74 H VAL 8 H VAL 8 -8.283 -3.246 -6.206
75 HA VAL 8 HA VAL 8 -9.726 -5.100 -7.706
76 HB VAL 8 HB VAL 8 -7.404 -4.307 -8.208
77 HG11 VAL 8 1HG1 VAL 8 -6.646 -6.331 -6.103
78 HG12 VAL 8 2HG1 VAL 8 -5.524 -5.501 -7.184
79 HG13 VAL 8 3HG1 VAL 8 -6.441 -4.584 -5.988
80 HG21 VAL 8 3HG2 VAL 8 -8.495 -6.278 -9.302
81 HG22 VAL 8 1HG2 VAL 8 -6.732 -6.322 -9.300
82 HG23 VAL 8 2HG2 VAL 8 -7.641 -7.312 -8.158
83 H ALA 9 H ALA 9 -8.370 -5.330 -4.503
84 HA ALA 9 HA ALA 9 -8.275 -8.090 -4.164
85 HB1 ALA 9 3HB ALA 9 -8.907 -7.368 -1.691
86 HB2 ALA 9 1HB ALA 9 -7.323 -7.029 -2.391
87 HB3 ALA 9 2HB ALA 9 -8.554 -5.766 -2.341
88 H GLY 10 H GLY 10 -10.993 -5.962 -4.380
89 HA2 GLY 10 2HA GLY 10 -12.838 -7.863 -3.189
90 HA3 GLY 10 3HA GLY 10 -13.248 -6.296 -3.869
91 H TYR 11 H TYR 11 -11.847 -6.838 -6.387
92 HA TYR 11 HA TYR 11 -13.977 -7.852 -7.880
93 HB2 TYR 11 2HB TYR 11 -12.326 -6.421 -8.908
94 HB3 TYR 11 3HB TYR 11 -11.049 -7.590 -8.588
95 HD1 TYR 11 HD2 TYR 11 -14.463 -7.922 -10.078
96 HD2 TYR 11 HD1 TYR 11 -10.269 -8.432 -10.591
97 HE1 TYR 11 HE2 TYR 11 -14.862 -8.951 -12.276
98 HE2 TYR 11 HE1 TYR 11 -10.658 -9.461 -12.791
99 HH TYR 11 HH TYR 11 -12.163 -10.065 -14.302
100 H ASP 12 H ASP 12 -10.913 -9.416 -6.971
101 HA ASP 12 HA ASP 12 -11.339 -11.871 -8.205
102 HB2 ASP 12 2HB ASP 12 -9.269 -10.894 -6.900
103 HB3 ASP 12 3HB ASP 12 -9.978 -11.766 -5.543
104 H ILE 13 H ILE 13 -12.666 -10.569 -5.266
105 HA ILE 13 HA ILE 13 -13.676 -13.122 -4.350
106 HB ILE 13 HB ILE 13 -14.324 -10.361 -3.314
107 HG12 ILE 13 2HG1 ILE 13 -11.924 -10.772 -3.172
108 HG13 ILE 13 3HG1 ILE 13 -12.644 -10.845 -1.566
109 HG21 ILE 13 1HG2 ILE 13 -14.594 -12.021 -1.211
110 HG22 ILE 13 2HG2 ILE 13 -15.921 -11.568 -2.278
111 HG23 ILE 13 3HG2 ILE 13 -15.077 -13.096 -2.523
112 HD11 ILE 13 3HD1 ILE 13 -11.032 -12.602 -1.807
113 HD12 ILE 13 1HD1 ILE 13 -12.647 -13.307 -1.725
114 HD13 ILE 13 2HD1 ILE 13 -11.819 -13.176 -3.278
115 H ALA 14 H ALA 14 -14.850 -10.307 -6.071
116 HA ALA 14 HA ALA 14 -17.619 -11.002 -5.901
117 HB1 ALA 14 3HB ALA 14 -16.209 -8.754 -6.653
118 HB2 ALA 14 1HB ALA 14 -16.907 -9.329 -8.168
119 HB3 ALA 14 2HB ALA 14 -17.952 -8.984 -6.790
120 H SER 15 H SER 15 -14.988 -11.848 -7.997
121 HA SER 15 HA SER 15 -16.349 -12.609 -10.303
122 HB2 SER 15 2HB SER 15 -13.804 -13.594 -9.030
123 HB3 SER 15 3HB SER 15 -14.402 -14.286 -10.537
124 HG SER 15 HG SER 15 -13.321 -12.669 -11.363
125 H HIS 16 H HIS 16 -15.965 -14.255 -7.237
126 HA HIS 16 HA HIS 16 -17.390 -16.598 -8.281
127 HB2 HIS 16 2HB HIS 16 -15.747 -16.143 -5.795
128 HB3 HIS 16 3HB HIS 16 -16.774 -17.561 -5.989
129 HD1 HIS 16 HD1 HIS 16 -14.459 -18.894 -5.820
130 HD2 HIS 16 HD2 HIS 16 -14.985 -16.584 -9.232
131 HE1 HIS 16 HE1 HIS 16 -12.744 -19.721 -7.463
132 H LYS 17 H LYS 17 -17.423 -14.503 -5.395
133 HA LYS 17 HA LYS 17 -19.836 -15.341 -4.325
134 HB2 LYS 17 2HB LYS 17 -18.333 -13.888 -3.098
135 HB3 LYS 17 3HB LYS 17 -18.576 -12.595 -4.264
136 HG2 LYS 17 2HG LYS 17 -20.546 -11.971 -3.368
137 HG3 LYS 17 3HG LYS 17 -21.011 -13.627 -2.968
138 HD2 LYS 17 2HD LYS 17 -18.736 -12.502 -1.455
139 HD3 LYS 17 3HD LYS 17 -20.318 -11.794 -1.126
140 HE2 LYS 17 2HE LYS 17 -19.839 -14.762 -1.118
141 HE3 LYS 17 3HE LYS 17 -19.620 -13.764 0.318
142 HZ1 LYS 17 3HZ LYS 17 -22.027 -12.982 -0.346
143 HZ2 LYS 17 1HZ LYS 17 -21.777 -14.372 0.586
144 HZ3 LYS 17 2HZ LYS 17 -22.082 -14.510 -1.072
145 H LYS 18 H LYS 18 -19.379 -12.372 -6.255
146 HA LYS 18 HA LYS 18 -20.758 -11.255 -7.677
147 HB2 LYS 18 2HB LYS 18 -20.807 -13.644 -8.673
148 HB3 LYS 18 3HB LYS 18 -22.414 -13.747 -7.965
149 HG2 LYS 18 2HG LYS 18 -23.072 -12.948 -9.951
150 HG3 LYS 18 3HG LYS 18 -22.602 -11.389 -9.269
151 HD2 LYS 18 2HD LYS 18 -21.327 -11.226 -11.115
152 HD3 LYS 18 3HD LYS 18 -20.223 -12.282 -10.232
153 HE2 LYS 18 2HE LYS 18 -21.736 -14.167 -11.288
154 HE3 LYS 18 3HE LYS 18 -22.077 -12.910 -12.477
155 HZ1 LYS 18 3HZ LYS 18 -19.728 -14.495 -12.144
156 HZ2 LYS 18 1HZ LYS 18 -19.362 -12.844 -12.161
157 HZ3 LYS 18 2HZ LYS 18 -20.201 -13.536 -13.455
158 H LYS 19 H LYS 19 -21.451 -10.074 -5.757
159 HA LYS 19 HA LYS 19 -23.854 -10.797 -4.395
160 HB2 LYS 19 2HB LYS 19 -21.939 -9.294 -3.559
161 HB3 LYS 19 3HB LYS 19 -22.699 -8.020 -4.503
162 HG2 LYS 19 2HG LYS 19 -24.615 -9.384 -2.822
163 HG3 LYS 19 3HG LYS 19 -23.273 -8.720 -1.887
164 HD2 LYS 19 2HD LYS 19 -24.665 -7.068 -3.966
165 HD3 LYS 19 3HD LYS 19 -25.336 -7.231 -2.341
166 HE2 LYS 19 2HE LYS 19 -23.001 -6.545 -1.527
167 HE3 LYS 19 3HE LYS 19 -22.722 -6.021 -3.186
168 HZ1 LYS 19 3HZ LYS 19 -24.609 -4.540 -3.013
169 HZ2 LYS 19 1HZ LYS 19 -23.503 -4.211 -1.775
170 HZ3 LYS 19 2HZ LYS 19 -24.923 -5.065 -1.436
171 H THR 20 H THR 20 -23.221 -9.410 -7.410
172 HA THR 20 HA THR 20 -26.044 -8.884 -7.817
173 HB THR 20 HB THR 20 -25.202 -6.645 -9.017
174 HG1 THR 20 HG1 THR 20 -23.033 -7.191 -7.966
175 HG21 THR 20 1HG2 THR 20 -26.717 -7.280 -6.782
176 HG22 THR 20 2HG2 THR 20 -26.606 -5.700 -7.557
177 HG23 THR 20 3HG2 THR 20 -25.559 -6.087 -6.191
178 H GLY 21 H GLY 21 -25.853 -10.668 -9.245
179 HA2 GLY 21 2HA GLY 21 -23.999 -10.640 -11.430
180 HA3 GLY 21 3HA GLY 21 -25.346 -11.748 -11.221
181 H GLY 22 H GLY 22 -27.282 -9.529 -10.960
182 HA2 GLY 22 2HA GLY 22 -27.220 -8.460 -13.705
183 HA3 GLY 22 3HA GLY 22 -28.640 -9.320 -13.131
184 H TYR 23 H TYR 23 -27.159 -6.323 -13.429
185 HA TYR 23 HA TYR 23 -28.496 -5.064 -11.194
186 HB2 TYR 23 2HB TYR 23 -27.028 -3.775 -13.504
187 HB3 TYR 23 3HB TYR 23 -27.480 -3.006 -11.986
188 HD1 TYR 23 HD1 TYR 23 -25.296 -5.593 -13.487
189 HD2 TYR 23 HD2 TYR 23 -26.102 -3.190 -10.069
190 HE1 TYR 23 HE1 TYR 23 -23.137 -6.260 -12.516
191 HE2 TYR 23 HE2 TYR 23 -23.945 -3.849 -9.089
192 HH TYR 23 HH TYR 23 -21.657 -4.687 -10.071
193 HA PRO 24 HA PRO 24 -32.235 -3.898 -13.171
194 HB2 PRO 24 2HB PRO 24 -32.690 -1.456 -12.078
195 HB3 PRO 24 3HB PRO 24 -32.869 -2.962 -11.171
196 HG2 PRO 24 2HG PRO 24 -30.583 -1.029 -11.202
197 HG3 PRO 24 3HG PRO 24 -31.329 -1.857 -9.823
198 HD2 PRO 24 2HD PRO 24 -29.011 -2.695 -10.946
199 HD3 PRO 24 3HD PRO 24 -30.179 -3.815 -10.216
200 H TRP 25 H TRP 25 -29.519 -1.689 -13.348
201 HA TRP 25 HA TRP 25 -30.655 -0.546 -15.816
202 HB2 TRP 25 2HB TRP 25 -29.776 1.512 -15.310
203 HB3 TRP 25 3HB TRP 25 -30.035 0.905 -13.676
204 HD1 TRP 25 HD1 TRP 25 -27.360 2.179 -15.948
205 HE1 TRP 25 HE1 TRP 25 -25.073 2.044 -14.776
206 HE3 TRP 25 HE3 TRP 25 -28.674 -0.706 -11.938
207 HZ2 TRP 25 HZ2 TRP 25 -23.971 0.869 -12.458
208 HZ3 TRP 25 HZ3 TRP 25 -26.944 -1.291 -10.289
209 HH2 TRP 25 HH2 TRP 25 -24.642 -0.521 -10.545
210 H GLU 26 H GLU 26 -27.893 -2.066 -14.324
211 HA GLU 26 HA GLU 26 -26.394 -1.917 -16.841
212 HB2 GLU 26 2HB GLU 26 -25.659 -1.967 -14.046
213 HB3 GLU 26 3HB GLU 26 -24.847 -3.255 -14.923
214 HG2 GLU 26 2HG GLU 26 -24.636 -0.961 -16.525
215 HG3 GLU 26 3HG GLU 26 -24.277 -0.455 -14.876
216 H ARG 27 H ARG 27 -27.624 -3.451 -17.996
217 HA ARG 27 HA ARG 27 -27.644 -6.189 -16.970
218 HB2 ARG 27 2HB ARG 27 -29.150 -6.667 -18.857
219 HB3 ARG 27 3HB ARG 27 -29.749 -5.348 -17.860
220 HG2 ARG 27 2HG ARG 27 -29.887 -4.058 -19.647
221 HG3 ARG 27 3HG ARG 27 -28.150 -4.223 -19.907
222 HD2 ARG 27 2HD ARG 27 -29.018 -6.592 -20.868
223 HD3 ARG 27 3HD ARG 27 -30.409 -5.573 -21.234
224 HE ARG 27 HE ARG 27 -28.012 -4.310 -22.053
225 HH11 ARG 27 1HH1 ARG 27 -30.190 -6.887 -22.914
226 HH12 ARG 27 2HH1 ARG 27 -29.814 -6.815 -24.604
227 HH21 ARG 27 1HH2 ARG 27 -27.510 -4.206 -24.276
228 HH22 ARG 27 2HH2 ARG 27 -28.289 -5.290 -25.377
229 H GLY 28 H GLY 28 -26.146 -4.187 -19.388
230 HA2 GLY 28 2HA GLY 28 -25.145 -6.334 -20.998
231 HA3 GLY 28 3HA GLY 28 -24.633 -4.655 -21.065
232 H LYS 29 H LYS 29 -24.123 -7.756 -19.530
233 HA LYS 29 HA LYS 29 -22.075 -6.980 -17.753
234 HB2 LYS 29 2HB LYS 29 -22.454 -9.674 -19.071
235 HB3 LYS 29 3HB LYS 29 -21.545 -9.348 -17.602
236 HG2 LYS 29 2HG LYS 29 -23.542 -8.782 -16.414
237 HG3 LYS 29 3HG LYS 29 -24.502 -8.872 -17.893
238 HD2 LYS 29 2HD LYS 29 -24.953 -10.954 -17.138
239 HD3 LYS 29 3HD LYS 29 -23.405 -11.331 -17.895
240 HE2 LYS 29 2HE LYS 29 -22.265 -11.244 -15.831
241 HE3 LYS 29 3HE LYS 29 -23.626 -10.466 -15.025
242 HZ1 LYS 29 3HZ LYS 29 -24.819 -12.435 -14.963
243 HZ2 LYS 29 1HZ LYS 29 -23.241 -12.953 -14.641
244 HZ3 LYS 29 2HZ LYS 29 -23.901 -13.166 -16.182
245 H ALA 30 H ALA 30 -22.027 -8.071 -21.110
246 HA ALA 30 HA ALA 30 -19.265 -8.376 -21.416
247 HB1 ALA 30 3HB ALA 30 -21.541 -7.900 -23.267
248 HB2 ALA 30 1HB ALA 30 -19.903 -7.685 -23.885
249 HB3 ALA 30 2HB ALA 30 -20.393 -9.237 -23.204
Start of MODEL 9
1 H1 MET 1 H MET 1 0.593 0.798 0.647
2 HA MET 1 HA MET 1 2.617 1.088 -0.677
3 HB2 MET 1 2HB MET 1 2.724 -1.580 -0.584
4 HB3 MET 1 3HB MET 1 2.015 -1.405 -2.184
5 HG2 MET 1 2HG MET 1 3.899 -0.531 -3.080
6 HG3 MET 1 3HG MET 1 4.374 0.267 -1.582
7 HE1 MET 1 3HE MET 1 4.477 -2.465 -3.901
8 HE2 MET 1 1HE MET 1 5.795 -3.514 -3.378
9 HE3 MET 1 2HE MET 1 4.152 -3.812 -2.810
10 H LYS 2 H LYS 2 -0.305 -0.541 -1.873
11 HA LYS 2 HA LYS 2 -0.728 1.717 -3.697
12 HB2 LYS 2 2HB LYS 2 -0.627 -1.197 -4.412
13 HB3 LYS 2 3HB LYS 2 -1.629 -0.090 -5.341
14 HG2 LYS 2 2HG LYS 2 0.477 1.317 -5.619
15 HG3 LYS 2 3HG LYS 2 1.353 -0.097 -5.030
16 HD2 LYS 2 2HD LYS 2 -0.584 -0.273 -7.320
17 HD3 LYS 2 3HD LYS 2 1.105 0.177 -7.564
18 HE2 LYS 2 2HE LYS 2 1.708 -1.945 -6.323
19 HE3 LYS 2 3HE LYS 2 0.009 -2.398 -6.456
20 HZ1 LYS 2 3HZ LYS 2 0.682 -1.695 -8.990
21 HZ2 LYS 2 1HZ LYS 2 0.590 -3.277 -8.401
22 HZ3 LYS 2 2HZ LYS 2 2.078 -2.475 -8.439
23 H THR 3 H THR 3 -2.503 2.598 -2.826
24 HA THR 3 HA THR 3 -4.475 1.350 -1.342
25 HB THR 3 HB THR 3 -5.784 3.414 -2.744
26 HG1 THR 3 HG1 THR 3 -4.278 5.035 -2.840
27 HG21 THR 3 1HG2 THR 3 -6.252 3.463 -0.525
28 HG22 THR 3 2HG2 THR 3 -4.934 4.635 -0.501
29 HG23 THR 3 3HG2 THR 3 -4.627 2.955 -0.063
30 H ILE 4 H ILE 4 -4.055 1.476 -4.791
31 HA ILE 4 HA ILE 4 -6.664 0.849 -5.613
32 HB ILE 4 HB ILE 4 -5.670 0.059 -7.697
33 HG12 ILE 4 2HG1 ILE 4 -2.931 0.585 -7.362
34 HG13 ILE 4 3HG1 ILE 4 -3.391 -0.403 -5.979
35 HG21 ILE 4 1HG2 ILE 4 -5.250 2.152 -8.364
36 HG22 ILE 4 2HG2 ILE 4 -5.556 2.599 -6.686
37 HG23 ILE 4 3HG2 ILE 4 -3.903 2.337 -7.241
38 HD11 ILE 4 3HD1 ILE 4 -3.538 -1.067 -8.893
39 HD12 ILE 4 1HD1 ILE 4 -2.715 -1.933 -7.595
40 HD13 ILE 4 2HD1 ILE 4 -4.476 -1.956 -7.694
41 H LEU 5 H LEU 5 -4.168 -1.093 -4.202
42 HA LEU 5 HA LEU 5 -4.899 -3.641 -5.059
43 HB2 LEU 5 2HB LEU 5 -3.826 -2.817 -2.364
44 HB3 LEU 5 3HB LEU 5 -3.831 -4.457 -3.009
45 HG LEU 5 HG LEU 5 -2.352 -2.191 -4.328
46 HD11 LEU 5 1HD1 LEU 5 -1.759 -3.113 -1.827
47 HD12 LEU 5 2HD1 LEU 5 -0.601 -2.410 -2.955
48 HD13 LEU 5 3HD1 LEU 5 -0.778 -4.161 -2.852
49 HD21 LEU 5 3HD2 LEU 5 -1.801 -5.135 -4.504
50 HD22 LEU 5 1HD2 LEU 5 -1.285 -3.844 -5.589
51 HD23 LEU 5 2HD2 LEU 5 -2.976 -4.347 -5.559
52 H ARG 6 H ARG 6 -6.086 -1.750 -2.303
53 HA ARG 6 HA ARG 6 -7.750 -3.653 -1.152
54 HB2 ARG 6 2HB ARG 6 -7.808 -0.658 -1.253
55 HB3 ARG 6 3HB ARG 6 -9.138 -1.533 -0.509
56 HG2 ARG 6 2HG ARG 6 -7.499 -2.644 0.988
57 HG3 ARG 6 3HG ARG 6 -6.241 -1.615 0.299
58 HD2 ARG 6 2HD ARG 6 -6.756 -0.172 1.925
59 HD3 ARG 6 3HD ARG 6 -8.200 0.186 0.977
60 HE ARG 6 HE ARG 6 -9.434 -0.784 2.625
61 HH11 ARG 6 1HH1 ARG 6 -6.183 -2.014 2.818
62 HH12 ARG 6 2HH1 ARG 6 -6.479 -2.937 4.254
63 HH21 ARG 6 1HH2 ARG 6 -9.836 -1.995 4.516
64 HH22 ARG 6 2HH2 ARG 6 -8.557 -2.926 5.218
65 H PHE 7 H PHE 7 -8.212 -1.683 -3.997
66 HA PHE 7 HA PHE 7 -11.018 -2.167 -4.242
67 HB2 PHE 7 2HB PHE 7 -8.980 -1.206 -6.260
68 HB3 PHE 7 3HB PHE 7 -10.717 -1.246 -6.540
69 HD1 PHE 7 HD1 PHE 7 -8.101 0.230 -4.372
70 HD2 PHE 7 HD2 PHE 7 -12.083 0.516 -5.847
71 HE1 PHE 7 HE1 PHE 7 -8.308 2.467 -3.369
72 HE2 PHE 7 HE2 PHE 7 -12.297 2.753 -4.847
73 HZ PHE 7 HZ PHE 7 -10.408 3.732 -3.606
74 H VAL 8 H VAL 8 -8.256 -3.292 -6.204
75 HA VAL 8 HA VAL 8 -9.656 -5.196 -7.683
76 HB VAL 8 HB VAL 8 -7.342 -4.378 -8.177
77 HG11 VAL 8 1HG1 VAL 8 -6.574 -6.351 -6.028
78 HG12 VAL 8 2HG1 VAL 8 -5.455 -5.525 -7.114
79 HG13 VAL 8 3HG1 VAL 8 -6.396 -4.599 -5.944
80 HG21 VAL 8 3HG2 VAL 8 -6.656 -6.375 -9.259
81 HG22 VAL 8 1HG2 VAL 8 -7.486 -7.383 -8.073
82 HG23 VAL 8 2HG2 VAL 8 -8.418 -6.413 -9.212
83 H ALA 9 H ALA 9 -8.328 -5.346 -4.463
84 HA ALA 9 HA ALA 9 -8.196 -8.099 -4.072
85 HB1 ALA 9 3HB ALA 9 -8.416 -5.728 -2.341
86 HB2 ALA 9 1HB ALA 9 -8.944 -7.249 -1.622
87 HB3 ALA 9 2HB ALA 9 -7.308 -7.097 -2.260
88 H GLY 10 H GLY 10 -10.943 -6.015 -4.353
89 HA2 GLY 10 2HA GLY 10 -12.768 -7.934 -3.152
90 HA3 GLY 10 3HA GLY 10 -13.196 -6.376 -3.841
91 H TYR 11 H TYR 11 -11.895 -6.787 -6.367
92 HA TYR 11 HA TYR 11 -13.962 -7.872 -7.856
93 HB2 TYR 11 2HB TYR 11 -12.330 -6.423 -8.883
94 HB3 TYR 11 3HB TYR 11 -11.037 -7.574 -8.560
95 HD1 TYR 11 HD2 TYR 11 -14.443 -8.079 -10.000
96 HD2 TYR 11 HD1 TYR 11 -10.238 -8.280 -10.619
97 HE1 TYR 11 HE2 TYR 11 -14.822 -9.116 -12.198
98 HE2 TYR 11 HE1 TYR 11 -10.606 -9.317 -12.820
99 HH TYR 11 HH TYR 11 -13.826 -10.243 -13.898
100 H ASP 12 H ASP 12 -10.907 -9.406 -6.883
101 HA ASP 12 HA ASP 12 -11.263 -11.860 -8.145
102 HB2 ASP 12 2HB ASP 12 -9.217 -10.926 -6.857
103 HB3 ASP 12 3HB ASP 12 -9.974 -11.642 -5.438
104 H ILE 13 H ILE 13 -12.667 -10.603 -5.214
105 HA ILE 13 HA ILE 13 -13.714 -13.180 -4.396
106 HB ILE 13 HB ILE 13 -14.380 -10.465 -3.258
107 HG12 ILE 13 2HG1 ILE 13 -11.971 -10.807 -3.144
108 HG13 ILE 13 3HG1 ILE 13 -12.672 -10.977 -1.538
109 HG21 ILE 13 1HG2 ILE 13 -14.728 -12.004 -1.196
110 HG22 ILE 13 2HG2 ILE 13 -15.978 -11.916 -2.435
111 HG23 ILE 13 3HG2 ILE 13 -14.868 -13.285 -2.399
112 HD11 ILE 13 3HD1 ILE 13 -11.236 -12.911 -3.178
113 HD12 ILE 13 1HD1 ILE 13 -11.456 -12.838 -1.429
114 HD13 ILE 13 2HD1 ILE 13 -12.711 -13.545 -2.448
115 H ALA 14 H ALA 14 -14.808 -10.308 -6.061
116 HA ALA 14 HA ALA 14 -17.595 -10.904 -5.924
117 HB1 ALA 14 3HB ALA 14 -16.081 -8.727 -6.704
118 HB2 ALA 14 1HB ALA 14 -16.820 -9.287 -8.205
119 HB3 ALA 14 2HB ALA 14 -17.834 -8.879 -6.821
120 H SER 15 H SER 15 -14.987 -11.799 -8.057
121 HA SER 15 HA SER 15 -16.348 -12.547 -10.345
122 HB2 SER 15 2HB SER 15 -14.018 -14.052 -9.133
123 HB3 SER 15 3HB SER 15 -14.481 -14.006 -10.835
124 HG SER 15 HG SER 15 -13.402 -11.929 -9.249
125 H HIS 16 H HIS 16 -15.953 -14.299 -7.313
126 HA HIS 16 HA HIS 16 -17.431 -16.586 -8.338
127 HB2 HIS 16 2HB HIS 16 -16.128 -16.033 -5.669
128 HB3 HIS 16 3HB HIS 16 -17.034 -17.501 -6.022
129 HD1 HIS 16 HD1 HIS 16 -14.422 -18.318 -5.327
130 HD2 HIS 16 HD2 HIS 16 -15.108 -16.786 -9.128
131 HE1 HIS 16 HE1 HIS 16 -12.506 -19.133 -6.737
132 H LYS 17 H LYS 17 -17.818 -13.948 -6.034
133 HA LYS 17 HA LYS 17 -20.165 -14.717 -4.780
134 HB2 LYS 17 2HB LYS 17 -18.759 -12.725 -4.207
135 HB3 LYS 17 3HB LYS 17 -19.452 -11.895 -5.594
136 HG2 LYS 17 2HG LYS 17 -21.715 -12.302 -4.539
137 HG3 LYS 17 3HG LYS 17 -20.839 -12.790 -3.086
138 HD2 LYS 17 2HD LYS 17 -20.968 -10.609 -2.552
139 HD3 LYS 17 3HD LYS 17 -19.616 -10.436 -3.674
140 HE2 LYS 17 2HE LYS 17 -21.172 -9.916 -5.479
141 HE3 LYS 17 3HE LYS 17 -22.534 -10.128 -4.381
142 HZ1 LYS 17 3HZ LYS 17 -22.287 -7.894 -4.241
143 HZ2 LYS 17 1HZ LYS 17 -20.629 -7.924 -4.578
144 HZ3 LYS 17 2HZ LYS 17 -21.185 -8.324 -3.032
145 H LYS 18 H LYS 18 -20.003 -12.393 -7.485
146 HA LYS 18 HA LYS 18 -22.728 -13.201 -8.233
147 HB2 LYS 18 2HB LYS 18 -21.179 -10.669 -8.467
148 HB3 LYS 18 3HB LYS 18 -22.364 -11.017 -9.719
149 HG2 LYS 18 2HG LYS 18 -23.805 -11.523 -7.475
150 HG3 LYS 18 3HG LYS 18 -22.745 -10.223 -6.926
151 HD2 LYS 18 2HD LYS 18 -23.728 -8.684 -8.260
152 HD3 LYS 18 3HD LYS 18 -23.981 -9.834 -9.575
153 HE2 LYS 18 2HE LYS 18 -25.576 -10.348 -7.165
154 HE3 LYS 18 3HE LYS 18 -25.945 -8.829 -7.980
155 HZ1 LYS 18 3HZ LYS 18 -26.981 -9.914 -9.597
156 HZ2 LYS 18 1HZ LYS 18 -26.856 -11.324 -8.670
157 HZ3 LYS 18 2HZ LYS 18 -25.683 -10.972 -9.837
158 H LYS 19 H LYS 19 -22.887 -14.583 -9.859
159 HA LYS 19 HA LYS 19 -20.691 -14.971 -11.702
160 HB2 LYS 19 2HB LYS 19 -22.403 -16.718 -10.630
161 HB3 LYS 19 3HB LYS 19 -23.302 -16.344 -12.095
162 HG2 LYS 19 2HG LYS 19 -20.484 -16.888 -12.590
163 HG3 LYS 19 3HG LYS 19 -21.343 -18.242 -11.852
164 HD2 LYS 19 2HD LYS 19 -22.624 -16.817 -14.132
165 HD3 LYS 19 3HD LYS 19 -21.283 -17.913 -14.471
166 HE2 LYS 19 2HE LYS 19 -22.523 -19.652 -13.132
167 HE3 LYS 19 3HE LYS 19 -23.900 -18.552 -13.125
168 HZ1 LYS 19 3HZ LYS 19 -24.373 -19.788 -14.958
169 HZ2 LYS 19 1HZ LYS 19 -22.752 -20.079 -15.343
170 HZ3 LYS 19 2HZ LYS 19 -23.448 -18.578 -15.694
171 H THR 20 H THR 20 -23.480 -13.067 -11.572
172 HA THR 20 HA THR 20 -23.108 -12.261 -14.340
173 HB THR 20 HB THR 20 -24.798 -13.929 -14.660
174 HG1 THR 20 HG1 THR 20 -25.089 -11.696 -15.565
175 HG21 THR 20 1HG2 THR 20 -25.538 -14.077 -12.304
176 HG22 THR 20 2HG2 THR 20 -26.891 -13.968 -13.432
177 HG23 THR 20 3HG2 THR 20 -26.401 -12.552 -12.501
178 H GLY 21 H GLY 21 -23.455 -10.122 -14.644
179 HA2 GLY 21 2HA GLY 21 -25.223 -8.392 -13.595
180 HA3 GLY 21 3HA GLY 21 -24.052 -8.532 -12.293
181 H GLY 22 H GLY 22 -24.773 -7.114 -15.325
182 HA2 GLY 22 2HA GLY 22 -22.540 -5.316 -15.070
183 HA3 GLY 22 3HA GLY 22 -22.390 -6.412 -16.437
184 H TYR 23 H TYR 23 -23.974 -3.626 -15.162
185 HA TYR 23 HA TYR 23 -25.328 -3.253 -17.752
186 HB2 TYR 23 2HB TYR 23 -26.333 -2.282 -15.071
187 HB3 TYR 23 3HB TYR 23 -27.146 -2.108 -16.622
188 HD1 TYR 23 HD1 TYR 23 -26.063 -4.572 -14.080
189 HD2 TYR 23 HD2 TYR 23 -28.504 -3.844 -17.487
190 HE1 TYR 23 HE1 TYR 23 -27.211 -6.715 -13.708
191 HE2 TYR 23 HE2 TYR 23 -29.660 -5.984 -17.125
192 HH TYR 23 HH TYR 23 -29.029 -7.953 -14.278
193 HA PRO 24 HA PRO 24 -23.245 0.589 -18.146
194 HB2 PRO 24 2HB PRO 24 -25.116 2.096 -19.411
195 HB3 PRO 24 3HB PRO 24 -24.237 0.786 -20.210
196 HG2 PRO 24 2HG PRO 24 -26.989 0.778 -19.031
197 HG3 PRO 24 3HG PRO 24 -26.425 0.079 -20.561
198 HD2 PRO 24 2HD PRO 24 -26.816 -1.413 -18.335
199 HD3 PRO 24 3HD PRO 24 -25.563 -1.795 -19.532
200 H TRP 25 H TRP 25 -26.404 0.576 -16.625
201 HA TRP 25 HA TRP 25 -25.691 3.058 -15.205
202 HB2 TRP 25 2HB TRP 25 -27.879 3.748 -15.242
203 HB3 TRP 25 3HB TRP 25 -27.854 2.809 -16.732
204 HD1 TRP 25 HD1 TRP 25 -29.584 3.037 -13.431
205 HE1 TRP 25 HE1 TRP 25 -31.262 1.102 -13.182
206 HE3 TRP 25 HE3 TRP 25 -28.109 0.170 -17.399
207 HZ2 TRP 25 HZ2 TRP 25 -31.878 -1.321 -14.493
208 HZ3 TRP 25 HZ3 TRP 25 -29.294 -1.942 -17.832
209 HH2 TRP 25 HH2 TRP 25 -31.140 -2.671 -16.408
210 H GLU 26 H GLU 26 -26.765 -0.248 -14.913
211 HA GLU 26 HA GLU 26 -26.895 0.004 -11.994
212 HB2 GLU 26 2HB GLU 26 -28.269 -1.621 -13.950
213 HB3 GLU 26 3HB GLU 26 -27.519 -2.632 -12.723
214 HG2 GLU 26 2HG GLU 26 -28.744 -0.514 -11.351
215 HG3 GLU 26 3HG GLU 26 -29.899 -1.055 -12.568
216 H ARG 27 H ARG 27 -24.650 0.151 -11.621
217 HA ARG 27 HA ARG 27 -23.333 -2.428 -11.521
218 HB2 ARG 27 2HB ARG 27 -22.603 -1.691 -13.693
219 HB3 ARG 27 3HB ARG 27 -22.191 -0.101 -13.069
220 HG2 ARG 27 2HG ARG 27 -20.187 -1.383 -13.416
221 HG3 ARG 27 3HG ARG 27 -20.431 -1.125 -11.688
222 HD2 ARG 27 2HD ARG 27 -21.406 -3.377 -11.511
223 HD3 ARG 27 3HD ARG 27 -21.102 -3.629 -13.229
224 HE ARG 27 HE ARG 27 -18.738 -2.916 -11.785
225 HH11 ARG 27 1HH1 ARG 27 -20.857 -5.550 -12.615
226 HH12 ARG 27 2HH1 ARG 27 -19.637 -6.764 -12.421
227 HH21 ARG 27 1HH2 ARG 27 -17.123 -4.505 -11.526
228 HH22 ARG 27 2HH2 ARG 27 -17.513 -6.169 -11.800
229 H GLY 28 H GLY 28 -22.574 -2.598 -9.524
230 HA2 GLY 28 2HA GLY 28 -20.750 -1.561 -8.082
231 HA3 GLY 28 3HA GLY 28 -21.768 -0.129 -8.121
232 H LYS 29 H LYS 29 -20.967 -1.380 -5.749
233 HA LYS 29 HA LYS 29 -23.036 -3.098 -4.769
234 HB2 LYS 29 2HB LYS 29 -21.923 -2.938 -2.640
235 HB3 LYS 29 3HB LYS 29 -20.704 -3.104 -3.895
236 HG2 LYS 29 2HG LYS 29 -20.467 -0.592 -3.823
237 HG3 LYS 29 3HG LYS 29 -21.457 -0.633 -2.363
238 HD2 LYS 29 2HD LYS 29 -19.739 -1.317 -1.113
239 HD3 LYS 29 3HD LYS 29 -19.304 -2.575 -2.272
240 HE2 LYS 29 2HE LYS 29 -18.358 -0.591 -3.661
241 HE3 LYS 29 3HE LYS 29 -18.389 0.270 -2.123
242 HZ1 LYS 29 3HZ LYS 29 -17.111 -1.721 -1.231
243 HZ2 LYS 29 1HZ LYS 29 -16.271 -0.658 -2.246
244 HZ3 LYS 29 2HZ LYS 29 -16.833 -2.135 -2.848
245 H ALA 30 H ALA 30 -22.413 0.347 -4.738
246 HA ALA 30 HA ALA 30 -25.136 0.827 -3.856
247 HB1 ALA 30 3HB ALA 30 -24.599 2.203 -1.995
248 HB2 ALA 30 1HB ALA 30 -23.732 0.683 -1.779
249 HB3 ALA 30 2HB ALA 30 -22.873 2.115 -2.346
Start of MODEL 10
1 H1 MET 1 H MET 1 1.031 1.449 0.350
2 HA MET 1 HA MET 1 2.976 0.706 -1.139
3 HB2 MET 1 2HB MET 1 1.742 -1.752 -0.406
4 HB3 MET 1 3HB MET 1 1.578 -1.566 -2.148
5 HG2 MET 1 2HG MET 1 4.240 -0.905 -1.186
6 HG3 MET 1 3HG MET 1 3.763 -2.561 -0.819
7 HE1 MET 1 3HE MET 1 3.433 -4.517 -3.123
8 HE2 MET 1 1HE MET 1 5.087 -4.222 -3.660
9 HE3 MET 1 2HE MET 1 4.682 -4.102 -1.948
10 H LYS 2 H LYS 2 -0.319 -0.470 -1.835
11 HA LYS 2 HA LYS 2 -0.719 1.758 -3.675
12 HB2 LYS 2 2HB LYS 2 -0.621 -1.137 -4.461
13 HB3 LYS 2 3HB LYS 2 -1.638 -0.011 -5.350
14 HG2 LYS 2 2HG LYS 2 0.455 1.408 -5.633
15 HG3 LYS 2 3HG LYS 2 1.349 -0.007 -5.071
16 HD2 LYS 2 2HD LYS 2 -0.621 -0.526 -7.196
17 HD3 LYS 2 3HD LYS 2 0.744 0.490 -7.666
18 HE2 LYS 2 2HE LYS 2 2.311 -1.189 -7.028
19 HE3 LYS 2 3HE LYS 2 1.051 -2.155 -6.261
20 HZ1 LYS 2 3HZ LYS 2 0.459 -1.635 -8.999
21 HZ2 LYS 2 1HZ LYS 2 0.566 -3.115 -8.187
22 HZ3 LYS 2 2HZ LYS 2 1.957 -2.404 -8.833
23 H THR 3 H THR 3 -2.484 2.613 -2.758
24 HA THR 3 HA THR 3 -4.432 1.322 -1.278
25 HB THR 3 HB THR 3 -5.702 3.447 -2.696
26 HG1 THR 3 HG1 THR 3 -3.965 5.033 -1.956
27 HG21 THR 3 1HG2 THR 3 -5.772 4.485 -0.534
28 HG22 THR 3 2HG2 THR 3 -4.435 3.489 0.042
29 HG23 THR 3 3HG2 THR 3 -5.996 2.751 -0.311
30 H ILE 4 H ILE 4 -4.061 1.535 -4.729
31 HA ILE 4 HA ILE 4 -6.679 0.919 -5.530
32 HB ILE 4 HB ILE 4 -5.711 0.183 -7.646
33 HG12 ILE 4 2HG1 ILE 4 -2.969 0.709 -7.336
34 HG13 ILE 4 3HG1 ILE 4 -3.407 -0.313 -5.971
35 HG21 ILE 4 1HG2 ILE 4 -5.672 2.687 -6.650
36 HG22 ILE 4 2HG2 ILE 4 -3.967 2.480 -7.052
37 HG23 ILE 4 3HG2 ILE 4 -5.198 2.278 -8.299
38 HD11 ILE 4 3HD1 ILE 4 -3.601 -0.909 -8.897
39 HD12 ILE 4 1HD1 ILE 4 -2.745 -1.798 -7.637
40 HD13 ILE 4 2HD1 ILE 4 -4.508 -1.833 -7.700
41 H LEU 5 H LEU 5 -4.158 -1.049 -4.201
42 HA LEU 5 HA LEU 5 -4.895 -3.577 -5.110
43 HB2 LEU 5 2HB LEU 5 -3.787 -2.815 -2.412
44 HB3 LEU 5 3HB LEU 5 -3.797 -4.440 -3.095
45 HG LEU 5 HG LEU 5 -2.342 -2.138 -4.378
46 HD11 LEU 5 1HD1 LEU 5 -0.742 -4.139 -2.974
47 HD12 LEU 5 2HD1 LEU 5 -1.713 -3.122 -1.910
48 HD13 LEU 5 3HD1 LEU 5 -0.572 -2.384 -3.035
49 HD21 LEU 5 3HD2 LEU 5 -1.291 -3.756 -5.697
50 HD22 LEU 5 1HD2 LEU 5 -2.978 -4.267 -5.651
51 HD23 LEU 5 2HD2 LEU 5 -1.784 -5.076 -4.635
52 H ARG 6 H ARG 6 -6.049 -1.757 -2.292
53 HA ARG 6 HA ARG 6 -7.691 -3.692 -1.166
54 HB2 ARG 6 2HB ARG 6 -7.783 -0.693 -1.201
55 HB3 ARG 6 3HB ARG 6 -9.071 -1.608 -0.431
56 HG2 ARG 6 2HG ARG 6 -7.759 -2.274 1.294
57 HG3 ARG 6 3HG ARG 6 -6.293 -2.303 0.313
58 HD2 ARG 6 2HD ARG 6 -6.977 0.359 0.321
59 HD3 ARG 6 3HD ARG 6 -7.417 -0.165 1.946
60 HE ARG 6 HE ARG 6 -4.770 0.119 0.878
61 HH11 ARG 6 1HH1 ARG 6 -6.728 -1.540 3.231
62 HH12 ARG 6 2HH1 ARG 6 -5.402 -1.868 4.296
63 HH21 ARG 6 1HH2 ARG 6 -3.016 -0.306 2.271
64 HH22 ARG 6 2HH2 ARG 6 -3.290 -1.165 3.749
65 H PHE 7 H PHE 7 -8.197 -1.655 -3.955
66 HA PHE 7 HA PHE 7 -11.005 -2.141 -4.172
67 HB2 PHE 7 2HB PHE 7 -8.998 -1.127 -6.195
68 HB3 PHE 7 3HB PHE 7 -10.739 -1.165 -6.452
69 HD1 PHE 7 HD2 PHE 7 -8.096 0.267 -4.285
70 HD2 PHE 7 HD1 PHE 7 -12.099 0.577 -5.700
71 HE1 PHE 7 HE2 PHE 7 -8.295 2.479 -3.227
72 HE2 PHE 7 HE1 PHE 7 -12.304 2.790 -4.644
73 HZ PHE 7 HZ PHE 7 -10.402 3.743 -3.404
74 H VAL 8 H VAL 8 -8.269 -3.211 -6.199
75 HA VAL 8 HA VAL 8 -9.685 -5.083 -7.703
76 HB VAL 8 HB VAL 8 -7.380 -4.248 -8.210
77 HG11 VAL 8 1HG1 VAL 8 -5.476 -5.417 -7.201
78 HG12 VAL 8 2HG1 VAL 8 -6.401 -4.520 -5.996
79 HG13 VAL 8 3HG1 VAL 8 -6.577 -6.271 -6.120
80 HG21 VAL 8 3HG2 VAL 8 -8.472 -6.268 -9.269
81 HG22 VAL 8 1HG2 VAL 8 -6.712 -6.207 -9.357
82 HG23 VAL 8 2HG2 VAL 8 -7.500 -7.255 -8.178
83 H ALA 9 H ALA 9 -8.311 -5.307 -4.506
84 HA ALA 9 HA ALA 9 -8.168 -8.068 -4.183
85 HB1 ALA 9 3HB ALA 9 -7.208 -6.782 -2.485
86 HB2 ALA 9 1HB ALA 9 -8.675 -5.830 -2.250
87 HB3 ALA 9 2HB ALA 9 -8.621 -7.513 -1.724
88 H GLY 10 H GLY 10 -10.922 -5.984 -4.375
89 HA2 GLY 10 2HA GLY 10 -12.730 -7.918 -3.181
90 HA3 GLY 10 3HA GLY 10 -13.169 -6.358 -3.862
91 H TYR 11 H TYR 11 -11.768 -6.877 -6.384
92 HA TYR 11 HA TYR 11 -13.876 -7.897 -7.886
93 HB2 TYR 11 2HB TYR 11 -12.181 -6.496 -8.897
94 HB3 TYR 11 3HB TYR 11 -10.937 -7.700 -8.574
95 HD1 TYR 11 HD2 TYR 11 -14.358 -8.194 -9.956
96 HD2 TYR 11 HD1 TYR 11 -10.169 -8.304 -10.694
97 HE1 TYR 11 HE2 TYR 11 -14.779 -9.211 -12.156
98 HE2 TYR 11 HE1 TYR 11 -10.578 -9.320 -12.897
99 HH TYR 11 HH TYR 11 -12.112 -10.236 -14.246
100 H ASP 12 H ASP 12 -10.860 -9.496 -6.891
101 HA ASP 12 HA ASP 12 -11.276 -11.954 -8.121
102 HB2 ASP 12 2HB ASP 12 -9.210 -11.058 -6.842
103 HB3 ASP 12 3HB ASP 12 -9.988 -11.733 -5.412
104 H ILE 13 H ILE 13 -12.688 -10.614 -5.239
105 HA ILE 13 HA ILE 13 -13.764 -13.148 -4.343
106 HB ILE 13 HB ILE 13 -14.463 -10.386 -3.346
107 HG12 ILE 13 2HG1 ILE 13 -12.046 -10.748 -3.181
108 HG13 ILE 13 3HG1 ILE 13 -12.788 -10.774 -1.586
109 HG21 ILE 13 1HG2 ILE 13 -14.591 -12.282 -1.297
110 HG22 ILE 13 2HG2 ILE 13 -15.940 -11.481 -2.102
111 HG23 ILE 13 3HG2 ILE 13 -15.359 -13.038 -2.692
112 HD11 ILE 13 3HD1 ILE 13 -11.860 -12.738 -1.205
113 HD12 ILE 13 1HD1 ILE 13 -12.763 -13.427 -2.554
114 HD13 ILE 13 2HD1 ILE 13 -11.162 -12.736 -2.824
115 H ALA 14 H ALA 14 -14.869 -10.292 -6.065
116 HA ALA 14 HA ALA 14 -17.639 -10.938 -6.003
117 HB1 ALA 14 3HB ALA 14 -16.132 -8.757 -6.795
118 HB2 ALA 14 1HB ALA 14 -16.839 -9.356 -8.296
119 HB3 ALA 14 2HB ALA 14 -17.881 -8.931 -6.939
120 H SER 15 H SER 15 -14.971 -11.948 -7.962
121 HA SER 15 HA SER 15 -16.183 -12.698 -10.326
122 HB2 SER 15 2HB SER 15 -13.791 -12.863 -10.078
123 HB3 SER 15 3HB SER 15 -13.958 -14.063 -8.798
124 HG SER 15 HG SER 15 -14.407 -14.336 -11.564
125 H HIS 16 H HIS 16 -15.969 -14.526 -7.295
126 HA HIS 16 HA HIS 16 -17.719 -16.590 -8.398
127 HB2 HIS 16 2HB HIS 16 -17.205 -17.838 -6.341
128 HB3 HIS 16 3HB HIS 16 -15.737 -17.347 -7.179
129 HD1 HIS 16 HD1 HIS 16 -17.613 -16.887 -4.011
130 HD2 HIS 16 HD2 HIS 16 -14.220 -15.352 -5.855
131 HE1 HIS 16 HE1 HIS 16 -16.374 -15.643 -2.210
132 H LYS 17 H LYS 17 -17.624 -14.141 -5.867
133 HA LYS 17 HA LYS 17 -20.053 -14.824 -4.608
134 HB2 LYS 17 2HB LYS 17 -18.468 -12.266 -4.751
135 HB3 LYS 17 3HB LYS 17 -19.975 -12.377 -3.850
136 HG2 LYS 17 2HG LYS 17 -18.407 -14.568 -3.047
137 HG3 LYS 17 3HG LYS 17 -17.340 -13.162 -3.072
138 HD2 LYS 17 2HD LYS 17 -18.973 -11.931 -1.695
139 HD3 LYS 17 3HD LYS 17 -19.987 -13.374 -1.636
140 HE2 LYS 17 2HE LYS 17 -17.127 -13.382 -0.713
141 HE3 LYS 17 3HE LYS 17 -18.456 -12.936 0.356
142 HZ1 LYS 17 3HZ LYS 17 -19.406 -15.080 0.127
143 HZ2 LYS 17 1HZ LYS 17 -17.765 -15.315 0.463
144 HZ3 LYS 17 2HZ LYS 17 -18.342 -15.509 -1.116
145 H LYS 18 H LYS 18 -19.539 -11.852 -6.492
146 HA LYS 18 HA LYS 18 -22.051 -12.357 -7.918
147 HB2 LYS 18 2HB LYS 18 -21.461 -10.127 -6.054
148 HB3 LYS 18 3HB LYS 18 -22.286 -9.701 -7.548
149 HG2 LYS 18 2HG LYS 18 -24.186 -10.269 -6.565
150 HG3 LYS 18 3HG LYS 18 -23.634 -11.946 -6.598
151 HD2 LYS 18 2HD LYS 18 -24.169 -11.557 -4.352
152 HD3 LYS 18 3HD LYS 18 -22.413 -11.388 -4.415
153 HE2 LYS 18 2HE LYS 18 -22.505 -9.247 -3.788
154 HE3 LYS 18 3HE LYS 18 -23.783 -8.883 -4.947
155 HZ1 LYS 18 3HZ LYS 18 -23.974 -9.301 -2.146
156 HZ2 LYS 18 1HZ LYS 18 -24.973 -10.389 -2.972
157 HZ3 LYS 18 2HZ LYS 18 -25.145 -8.725 -3.223
158 H LYS 19 H LYS 19 -21.133 -12.636 -9.892
159 HA LYS 19 HA LYS 19 -19.474 -10.428 -10.922
160 HB2 LYS 19 2HB LYS 19 -18.298 -12.599 -10.797
161 HB3 LYS 19 3HB LYS 19 -19.527 -13.312 -11.833
162 HG2 LYS 19 2HG LYS 19 -18.348 -10.928 -12.997
163 HG3 LYS 19 3HG LYS 19 -17.152 -12.179 -12.650
164 HD2 LYS 19 2HD LYS 19 -19.724 -12.765 -14.097
165 HD3 LYS 19 3HD LYS 19 -18.262 -12.247 -14.941
166 HE2 LYS 19 2HE LYS 19 -17.142 -14.189 -13.614
167 HE3 LYS 19 3HE LYS 19 -18.795 -14.780 -13.443
168 HZ1 LYS 19 3HZ LYS 19 -17.367 -14.245 -15.991
169 HZ2 LYS 19 1HZ LYS 19 -18.995 -14.693 -15.877
170 HZ3 LYS 19 2HZ LYS 19 -17.786 -15.761 -15.369
171 H THR 20 H THR 20 -22.438 -12.030 -11.175
172 HA THR 20 HA THR 20 -22.874 -11.237 -13.953
173 HB THR 20 HB THR 20 -24.985 -12.445 -13.810
174 HG1 THR 20 HG1 THR 20 -25.825 -12.492 -11.862
175 HG21 THR 20 1HG2 THR 20 -22.690 -14.013 -12.623
176 HG22 THR 20 2HG2 THR 20 -22.985 -13.738 -14.341
177 HG23 THR 20 3HG2 THR 20 -24.114 -14.707 -13.396
178 H GLY 21 H GLY 21 -22.514 -9.101 -12.185
179 HA2 GLY 21 2HA GLY 21 -23.552 -6.996 -12.138
180 HA3 GLY 21 3HA GLY 21 -25.086 -7.770 -12.509
181 H GLY 22 H GLY 22 -26.127 -9.004 -10.765
182 HA2 GLY 22 2HA GLY 22 -26.540 -9.455 -8.493
183 HA3 GLY 22 3HA GLY 22 -25.251 -8.343 -8.061
184 H TYR 23 H TYR 23 -28.541 -8.786 -8.109
185 HA TYR 23 HA TYR 23 -29.107 -5.904 -8.177
186 HB2 TYR 23 2HB TYR 23 -31.068 -8.204 -8.236
187 HB3 TYR 23 3HB TYR 23 -31.439 -6.502 -8.486
188 HD1 TYR 23 HD2 TYR 23 -29.678 -9.415 -9.940
189 HD2 TYR 23 HD1 TYR 23 -31.203 -5.502 -10.618
190 HE1 TYR 23 HE2 TYR 23 -29.308 -9.696 -12.355
191 HE2 TYR 23 HE1 TYR 23 -30.839 -5.772 -13.036
192 HH TYR 23 HH TYR 23 -30.686 -7.833 -14.654
193 HA PRO 24 HA PRO 24 -29.810 -5.671 -3.851
194 HB2 PRO 24 2HB PRO 24 -31.865 -3.902 -3.728
195 HB3 PRO 24 3HB PRO 24 -30.215 -3.430 -4.152
196 HG2 PRO 24 2HG PRO 24 -32.554 -3.961 -5.944
197 HG3 PRO 24 3HG PRO 24 -31.353 -2.658 -6.028
198 HD2 PRO 24 2HD PRO 24 -31.233 -4.854 -7.607
199 HD3 PRO 24 3HD PRO 24 -29.780 -4.003 -7.043
200 H TRP 25 H TRP 25 -32.529 -6.445 -5.923
201 HA TRP 25 HA TRP 25 -33.840 -7.780 -3.646
202 HB2 TRP 25 2HB TRP 25 -35.908 -7.201 -4.450
203 HB3 TRP 25 3HB TRP 25 -34.976 -5.835 -5.058
204 HD1 TRP 25 HD1 TRP 25 -37.166 -8.637 -6.195
205 HE1 TRP 25 HE1 TRP 25 -37.299 -8.662 -8.765
206 HE3 TRP 25 HE3 TRP 25 -33.395 -5.346 -7.233
207 HZ2 TRP 25 HZ2 TRP 25 -35.978 -7.449 -10.945
208 HZ3 TRP 25 HZ3 TRP 25 -32.891 -4.834 -9.587
209 HH2 TRP 25 HH2 TRP 25 -34.157 -5.864 -11.402
210 H GLU 26 H GLU 26 -32.681 -8.095 -6.921
211 HA GLU 26 HA GLU 26 -33.592 -10.881 -7.025
212 HB2 GLU 26 2HB GLU 26 -33.189 -8.807 -8.997
213 HB3 GLU 26 3HB GLU 26 -32.277 -10.249 -9.421
214 HG2 GLU 26 2HG GLU 26 -34.818 -11.132 -8.618
215 HG3 GLU 26 3HG GLU 26 -35.078 -9.739 -9.666
216 H ARG 27 H ARG 27 -32.072 -11.731 -5.554
217 HA ARG 27 HA ARG 27 -29.355 -11.951 -6.666
218 HB2 ARG 27 2HB ARG 27 -29.826 -10.541 -4.436
219 HB3 ARG 27 3HB ARG 27 -29.695 -12.143 -3.722
220 HG2 ARG 27 2HG ARG 27 -27.612 -10.826 -5.454
221 HG3 ARG 27 3HG ARG 27 -27.566 -10.944 -3.694
222 HD2 ARG 27 2HD ARG 27 -27.510 -13.224 -5.666
223 HD3 ARG 27 3HD ARG 27 -26.175 -12.666 -4.658
224 HE ARG 27 HE ARG 27 -28.221 -13.313 -2.925
225 HH11 ARG 27 1HH1 ARG 27 -26.309 -14.954 -5.328
226 HH12 ARG 27 2HH1 ARG 27 -26.402 -16.494 -4.539
227 HH21 ARG 27 1HH2 ARG 27 -28.350 -15.335 -1.877
228 HH22 ARG 27 2HH2 ARG 27 -27.564 -16.710 -2.577
229 H GLY 28 H GLY 28 -29.565 -13.960 -7.553
230 HA2 GLY 28 2HA GLY 28 -29.542 -16.189 -5.735
231 HA3 GLY 28 3HA GLY 28 -30.996 -16.126 -6.721
232 H LYS 29 H LYS 29 -27.594 -16.758 -6.662
233 HA LYS 29 HA LYS 29 -27.203 -16.986 -9.468
234 HB2 LYS 29 2HB LYS 29 -25.102 -18.088 -8.890
235 HB3 LYS 29 3HB LYS 29 -25.339 -16.650 -7.905
236 HG2 LYS 29 2HG LYS 29 -26.082 -18.046 -6.043
237 HG3 LYS 29 3HG LYS 29 -25.840 -19.489 -7.031
238 HD2 LYS 29 2HD LYS 29 -23.559 -17.607 -6.737
239 HD3 LYS 29 3HD LYS 29 -23.988 -18.605 -5.346
240 HE2 LYS 29 2HE LYS 29 -23.844 -20.003 -7.937
241 HE3 LYS 29 3HE LYS 29 -22.314 -19.391 -7.313
242 HZ1 LYS 29 3HZ LYS 29 -22.913 -21.706 -6.625
243 HZ2 LYS 29 1HZ LYS 29 -24.163 -21.047 -5.696
244 HZ3 LYS 29 2HZ LYS 29 -22.555 -20.654 -5.350
245 H ALA 30 H ALA 30 -28.308 -19.170 -6.973
246 HA ALA 30 HA ALA 30 -29.266 -21.018 -8.968
247 HB1 ALA 30 3HB ALA 30 -28.073 -22.958 -8.213
248 HB2 ALA 30 1HB ALA 30 -26.902 -21.711 -8.644
249 HB3 ALA 30 2HB ALA 30 -27.270 -22.029 -6.948
Start of MODEL 11
1 H1 MET 1 H MET 1 2.045 2.021 -0.199
2 HA MET 1 HA MET 1 1.386 -0.752 -0.564
3 HB2 MET 1 2HB MET 1 0.972 0.120 1.964
4 HB3 MET 1 3HB MET 1 -0.564 0.559 1.230
5 HG2 MET 1 2HG MET 1 -0.932 -1.566 2.084
6 HG3 MET 1 3HG MET 1 -0.637 -1.841 0.369
7 HE1 MET 1 3HE MET 1 1.263 -4.834 0.731
8 HE2 MET 1 1HE MET 1 -0.001 -3.849 -0.007
9 HE3 MET 1 2HE MET 1 1.689 -3.567 -0.422
10 H LYS 2 H LYS 2 0.557 -0.590 -2.545
11 HA LYS 2 HA LYS 2 -0.681 1.677 -3.629
12 HB2 LYS 2 2HB LYS 2 -0.605 -1.219 -4.418
13 HB3 LYS 2 3HB LYS 2 -1.603 -0.080 -5.314
14 HG2 LYS 2 2HG LYS 2 1.244 0.621 -4.839
15 HG3 LYS 2 3HG LYS 2 0.869 -0.622 -6.036
16 HD2 LYS 2 2HD LYS 2 -0.700 0.979 -7.116
17 HD3 LYS 2 3HD LYS 2 -0.148 2.218 -5.986
18 HE2 LYS 2 2HE LYS 2 2.129 1.984 -6.834
19 HE3 LYS 2 3HE LYS 2 1.593 0.726 -7.947
20 HZ1 LYS 2 3HZ LYS 2 1.491 2.509 -9.320
21 HZ2 LYS 2 1HZ LYS 2 1.190 3.616 -8.076
22 HZ3 LYS 2 2HZ LYS 2 -0.060 2.636 -8.656
23 H THR 3 H THR 3 -2.445 2.545 -2.720
24 HA THR 3 HA THR 3 -4.414 1.269 -1.254
25 HB THR 3 HB THR 3 -5.657 3.406 -2.676
26 HG1 THR 3 HG1 THR 3 -3.196 4.264 -1.590
27 HG21 THR 3 1HG2 THR 3 -5.972 2.711 -0.294
28 HG22 THR 3 2HG2 THR 3 -5.725 4.444 -0.512
29 HG23 THR 3 3HG2 THR 3 -4.404 3.430 0.069
30 H ILE 4 H ILE 4 -4.020 1.485 -4.702
31 HA ILE 4 HA ILE 4 -6.636 0.892 -5.521
32 HB ILE 4 HB ILE 4 -5.660 0.147 -7.632
33 HG12 ILE 4 2HG1 ILE 4 -2.918 0.650 -7.303
34 HG13 ILE 4 3HG1 ILE 4 -3.373 -0.369 -5.941
35 HG21 ILE 4 1HG2 ILE 4 -3.971 2.474 -6.852
36 HG22 ILE 4 2HG2 ILE 4 -4.936 2.218 -8.304
37 HG23 ILE 4 3HG2 ILE 4 -5.727 2.627 -6.782
38 HD11 ILE 4 3HD1 ILE 4 -4.466 -1.890 -7.661
39 HD12 ILE 4 1HD1 ILE 4 -3.576 -0.963 -8.870
40 HD13 ILE 4 2HD1 ILE 4 -2.704 -1.848 -7.618
41 H LEU 5 H LEU 5 -4.142 -1.101 -4.178
42 HA LEU 5 HA LEU 5 -4.898 -3.620 -5.094
43 HB2 LEU 5 2HB LEU 5 -3.797 -2.873 -2.390
44 HB3 LEU 5 3HB LEU 5 -3.818 -4.496 -3.075
45 HG LEU 5 HG LEU 5 -2.336 -2.205 -4.346
46 HD11 LEU 5 1HD1 LEU 5 -0.559 -2.490 -3.012
47 HD12 LEU 5 2HD1 LEU 5 -0.781 -4.236 -2.920
48 HD13 LEU 5 3HD1 LEU 5 -1.725 -3.172 -1.878
49 HD21 LEU 5 3HD2 LEU 5 -1.299 -3.825 -5.668
50 HD22 LEU 5 1HD2 LEU 5 -2.987 -4.333 -5.622
51 HD23 LEU 5 2HD2 LEU 5 -1.794 -5.144 -4.607
52 H ARG 6 H ARG 6 -6.048 -1.792 -2.279
53 HA ARG 6 HA ARG 6 -7.715 -3.713 -1.163
54 HB2 ARG 6 2HB ARG 6 -7.735 -0.718 -1.182
55 HB3 ARG 6 3HB ARG 6 -9.087 -1.588 -0.469
56 HG2 ARG 6 2HG ARG 6 -7.436 -2.791 0.976
57 HG3 ARG 6 3HG ARG 6 -6.199 -1.694 0.360
58 HD2 ARG 6 2HD ARG 6 -7.473 0.215 1.204
59 HD3 ARG 6 3HD ARG 6 -8.713 -0.880 1.814
60 HE ARG 6 HE ARG 6 -6.418 -1.751 2.992
61 HH11 ARG 6 1HH1 ARG 6 -8.064 1.311 2.814
62 HH12 ARG 6 2HH1 ARG 6 -7.504 1.850 4.363
63 HH21 ARG 6 1HH2 ARG 6 -5.675 -1.054 5.032
64 HH22 ARG 6 2HH2 ARG 6 -6.145 0.504 5.624
65 H PHE 7 H PHE 7 -8.188 -1.671 -3.954
66 HA PHE 7 HA PHE 7 -10.999 -2.129 -4.185
67 HB2 PHE 7 2HB PHE 7 -8.972 -1.133 -6.196
68 HB3 PHE 7 3HB PHE 7 -10.712 -1.155 -6.464
69 HD1 PHE 7 HD2 PHE 7 -8.067 0.254 -4.286
70 HD2 PHE 7 HD1 PHE 7 -12.061 0.597 -5.716
71 HE1 PHE 7 HE2 PHE 7 -8.253 2.466 -3.227
72 HE2 PHE 7 HE1 PHE 7 -12.253 2.812 -4.661
73 HZ PHE 7 HZ PHE 7 -10.347 3.748 -3.414
74 H VAL 8 H VAL 8 -8.263 -3.225 -6.198
75 HA VAL 8 HA VAL 8 -9.690 -5.083 -7.711
76 HB VAL 8 HB VAL 8 -7.373 -4.269 -8.205
77 HG11 VAL 8 1HG1 VAL 8 -5.486 -5.458 -7.189
78 HG12 VAL 8 2HG1 VAL 8 -6.407 -4.551 -5.988
79 HG13 VAL 8 3HG1 VAL 8 -6.601 -6.300 -6.113
80 HG21 VAL 8 3HG2 VAL 8 -7.864 -7.244 -8.204
81 HG22 VAL 8 1HG2 VAL 8 -8.274 -6.095 -9.478
82 HG23 VAL 8 2HG2 VAL 8 -6.584 -6.447 -9.118
83 H ALA 9 H ALA 9 -8.334 -5.320 -4.507
84 HA ALA 9 HA ALA 9 -8.216 -8.082 -4.183
85 HB1 ALA 9 3HB ALA 9 -8.666 -7.532 -1.728
86 HB2 ALA 9 1HB ALA 9 -7.256 -6.789 -2.485
87 HB3 ALA 9 2HB ALA 9 -8.727 -5.847 -2.246
88 H GLY 10 H GLY 10 -10.952 -5.975 -4.390
89 HA2 GLY 10 2HA GLY 10 -12.784 -7.887 -3.202
90 HA3 GLY 10 3HA GLY 10 -13.206 -6.330 -3.899
91 H TYR 11 H TYR 11 -11.905 -6.765 -6.424
92 HA TYR 11 HA TYR 11 -13.981 -7.849 -7.902
93 HB2 TYR 11 2HB TYR 11 -12.358 -6.409 -8.947
94 HB3 TYR 11 3HB TYR 11 -11.058 -7.546 -8.611
95 HD1 TYR 11 HD1 TYR 11 -14.452 -8.206 -9.995
96 HD2 TYR 11 HD2 TYR 11 -10.259 -8.155 -10.716
97 HE1 TYR 11 HE1 TYR 11 -14.821 -9.266 -12.183
98 HE2 TYR 11 HE2 TYR 11 -10.617 -9.213 -12.907
99 HH TYR 11 HH TYR 11 -13.745 -10.426 -13.873
100 H ASP 12 H ASP 12 -10.927 -9.382 -6.930
101 HA ASP 12 HA ASP 12 -11.290 -11.842 -8.181
102 HB2 ASP 12 2HB ASP 12 -9.262 -10.853 -6.834
103 HB3 ASP 12 3HB ASP 12 -10.002 -11.706 -5.482
104 H ILE 13 H ILE 13 -12.707 -10.558 -5.275
105 HA ILE 13 HA ILE 13 -13.735 -13.130 -4.420
106 HB ILE 13 HB ILE 13 -14.430 -10.407 -3.321
107 HG12 ILE 13 2HG1 ILE 13 -12.008 -10.738 -3.224
108 HG13 ILE 13 3HG1 ILE 13 -12.707 -10.838 -1.612
109 HG21 ILE 13 1HG2 ILE 13 -14.877 -11.786 -1.255
110 HG22 ILE 13 2HG2 ILE 13 -16.004 -12.013 -2.590
111 HG23 ILE 13 3HG2 ILE 13 -14.747 -13.212 -2.284
112 HD11 ILE 13 3HD1 ILE 13 -11.102 -12.735 -2.993
113 HD12 ILE 13 1HD1 ILE 13 -11.712 -12.788 -1.340
114 HD13 ILE 13 2HD1 ILE 13 -12.678 -13.452 -2.659
115 H ALA 14 H ALA 14 -14.833 -10.305 -6.151
116 HA ALA 14 HA ALA 14 -17.620 -10.896 -6.002
117 HB1 ALA 14 3HB ALA 14 -16.108 -9.155 -7.945
118 HB2 ALA 14 1HB ALA 14 -17.860 -9.194 -7.750
119 HB3 ALA 14 2HB ALA 14 -16.837 -8.634 -6.426
120 H SER 15 H SER 15 -15.008 -11.905 -8.058
121 HA SER 15 HA SER 15 -16.403 -12.716 -10.331
122 HB2 SER 15 2HB SER 15 -13.774 -12.884 -9.421
123 HB3 SER 15 3HB SER 15 -14.265 -14.564 -9.640
124 HG SER 15 HG SER 15 -14.616 -14.202 -11.757
125 H HIS 16 H HIS 16 -16.065 -14.231 -7.201
126 HA HIS 16 HA HIS 16 -17.380 -16.667 -8.122
127 HB2 HIS 16 2HB HIS 16 -15.857 -15.866 -5.700
128 HB3 HIS 16 3HB HIS 16 -17.105 -17.090 -5.488
129 HD1 HIS 16 HD1 HIS 16 -16.735 -19.375 -6.674
130 HD2 HIS 16 HD2 HIS 16 -13.588 -16.695 -7.084
131 HE1 HIS 16 HE1 HIS 16 -14.804 -20.733 -7.540
132 H LYS 17 H LYS 17 -17.981 -13.844 -6.125
133 HA LYS 17 HA LYS 17 -20.310 -14.623 -4.830
134 HB2 LYS 17 2HB LYS 17 -19.166 -12.546 -4.294
135 HB3 LYS 17 3HB LYS 17 -19.536 -11.897 -5.886
136 HG2 LYS 17 2HG LYS 17 -21.051 -10.903 -4.373
137 HG3 LYS 17 3HG LYS 17 -21.969 -12.100 -5.291
138 HD2 LYS 17 2HD LYS 17 -21.077 -13.567 -3.163
139 HD3 LYS 17 3HD LYS 17 -21.352 -11.985 -2.430
140 HE2 LYS 17 2HE LYS 17 -23.627 -11.965 -3.195
141 HE3 LYS 17 3HE LYS 17 -23.373 -13.437 -4.130
142 HZ1 LYS 17 3HZ LYS 17 -22.673 -13.862 -1.422
143 HZ2 LYS 17 1HZ LYS 17 -23.839 -14.655 -2.357
144 HZ3 LYS 17 2HZ LYS 17 -24.246 -13.246 -1.516
145 H LYS 18 H LYS 18 -19.894 -13.224 -8.058
146 HA LYS 18 HA LYS 18 -22.360 -14.435 -8.933
147 HB2 LYS 18 2HB LYS 18 -22.810 -12.073 -7.854
148 HB3 LYS 18 3HB LYS 18 -22.203 -11.485 -9.396
149 HG2 LYS 18 2HG LYS 18 -24.406 -11.586 -9.902
150 HG3 LYS 18 3HG LYS 18 -23.961 -13.240 -10.325
151 HD2 LYS 18 2HD LYS 18 -24.507 -13.564 -7.711
152 HD3 LYS 18 3HD LYS 18 -25.594 -12.223 -8.081
153 HE2 LYS 18 2HE LYS 18 -26.972 -13.952 -8.618
154 HE3 LYS 18 3HE LYS 18 -26.158 -13.762 -10.170
155 HZ1 LYS 18 3HZ LYS 18 -25.275 -15.665 -8.072
156 HZ2 LYS 18 1HZ LYS 18 -24.713 -15.564 -9.664
157 HZ3 LYS 18 2HZ LYS 18 -26.291 -16.088 -9.357
158 H LYS 19 H LYS 19 -22.164 -15.061 -10.989
159 HA LYS 19 HA LYS 19 -19.919 -13.976 -12.545
160 HB2 LYS 19 2HB LYS 19 -20.039 -16.454 -12.040
161 HB3 LYS 19 3HB LYS 19 -21.454 -16.521 -13.082
162 HG2 LYS 19 2HG LYS 19 -19.206 -15.209 -14.363
163 HG3 LYS 19 3HG LYS 19 -18.832 -16.858 -13.857
164 HD2 LYS 19 2HD LYS 19 -21.326 -16.165 -15.391
165 HD3 LYS 19 3HD LYS 19 -19.804 -16.566 -16.189
166 HE2 LYS 19 2HE LYS 19 -19.784 -18.718 -14.959
167 HE3 LYS 19 3HE LYS 19 -21.366 -18.315 -14.292
168 HZ1 LYS 19 3HZ LYS 19 -22.116 -19.411 -16.077
169 HZ2 LYS 19 1HZ LYS 19 -20.663 -19.259 -16.930
170 HZ3 LYS 19 2HZ LYS 19 -21.775 -17.985 -16.922
171 H THR 20 H THR 20 -23.291 -13.943 -12.333
172 HA THR 20 HA THR 20 -23.499 -12.959 -15.104
173 HB THR 20 HB THR 20 -25.832 -13.710 -15.145
174 HG1 THR 20 HG1 THR 20 -26.758 -14.189 -13.314
175 HG21 THR 20 1HG2 THR 20 -24.800 -16.272 -14.381
176 HG22 THR 20 2HG2 THR 20 -23.542 -15.356 -15.210
177 HG23 THR 20 3HG2 THR 20 -25.095 -15.632 -15.997
178 H GLY 21 H GLY 21 -22.915 -10.876 -14.086
179 HA2 GLY 21 2HA GLY 21 -25.114 -9.669 -12.549
180 HA3 GLY 21 3HA GLY 21 -23.476 -9.042 -12.650
181 H GLY 22 H GLY 22 -25.013 -10.136 -15.550
182 HA2 GLY 22 2HA GLY 22 -26.450 -7.969 -16.418
183 HA3 GLY 22 3HA GLY 22 -24.777 -7.533 -16.728
184 H TYR 23 H TYR 23 -23.643 -8.553 -18.359
185 HA TYR 23 HA TYR 23 -25.187 -10.437 -20.016
186 HB2 TYR 23 2HB TYR 23 -23.360 -8.263 -21.054
187 HB3 TYR 23 3HB TYR 23 -24.321 -9.377 -22.021
188 HD1 TYR 23 HD1 TYR 23 -24.528 -6.538 -19.654
189 HD2 TYR 23 HD2 TYR 23 -26.591 -8.920 -22.512
190 HE1 TYR 23 HE1 TYR 23 -26.391 -4.934 -19.636
191 HE2 TYR 23 HE2 TYR 23 -28.460 -7.321 -22.504
192 HH TYR 23 HH TYR 23 -29.219 -5.380 -21.738
193 HA PRO 24 HA PRO 24 -21.693 -13.093 -19.994
194 HB2 PRO 24 2HB PRO 24 -21.827 -14.188 -22.474
195 HB3 PRO 24 3HB PRO 24 -22.967 -14.590 -21.185
196 HG2 PRO 24 2HG PRO 24 -23.292 -12.691 -23.475
197 HG3 PRO 24 3HG PRO 24 -24.448 -13.866 -22.824
198 HD2 PRO 24 2HD PRO 24 -24.570 -11.226 -22.239
199 HD3 PRO 24 3HD PRO 24 -25.070 -12.482 -21.089
200 H TRP 25 H TRP 25 -21.980 -10.770 -22.603
201 HA TRP 25 HA TRP 25 -19.057 -10.866 -22.964
202 HB2 TRP 25 2HB TRP 25 -19.286 -10.474 -25.212
203 HB3 TRP 25 3HB TRP 25 -20.794 -11.337 -24.921
204 HD1 TRP 25 HD1 TRP 25 -19.466 -8.086 -26.189
205 HE1 TRP 25 HE1 TRP 25 -21.414 -6.499 -26.748
206 HE3 TRP 25 HE3 TRP 25 -23.286 -10.689 -24.004
207 HZ2 TRP 25 HZ2 TRP 25 -24.201 -6.367 -26.318
208 HZ3 TRP 25 HZ3 TRP 25 -25.562 -9.763 -24.122
209 HH2 TRP 25 HH2 TRP 25 -26.009 -7.647 -25.255
210 H GLU 26 H GLU 26 -21.843 -8.857 -22.354
211 HA GLU 26 HA GLU 26 -20.152 -6.462 -22.265
212 HB2 GLU 26 2HB GLU 26 -22.917 -6.965 -22.942
213 HB3 GLU 26 3HB GLU 26 -22.800 -5.745 -21.682
214 HG2 GLU 26 2HG GLU 26 -20.846 -5.090 -23.584
215 HG3 GLU 26 3HG GLU 26 -22.298 -5.511 -24.488
216 H ARG 27 H ARG 27 -19.075 -6.947 -20.315
217 HA ARG 27 HA ARG 27 -20.433 -7.559 -17.900
218 HB2 ARG 27 2HB ARG 27 -17.973 -7.956 -18.453
219 HB3 ARG 27 3HB ARG 27 -17.725 -6.251 -18.098
220 HG2 ARG 27 2HG ARG 27 -19.155 -7.810 -16.044
221 HG3 ARG 27 3HG ARG 27 -17.451 -8.201 -16.284
222 HD2 ARG 27 2HD ARG 27 -16.893 -6.423 -15.078
223 HD3 ARG 27 3HD ARG 27 -17.667 -5.386 -16.274
224 HE ARG 27 HE ARG 27 -19.454 -5.127 -14.857
225 HH11 ARG 27 1HH1 ARG 27 -17.438 -7.731 -13.727
226 HH12 ARG 27 2HH1 ARG 27 -18.265 -7.888 -12.213
227 HH21 ARG 27 1HH2 ARG 27 -20.551 -5.324 -12.866
228 HH22 ARG 27 2HH2 ARG 27 -20.037 -6.519 -11.726
229 H GLY 28 H GLY 28 -19.669 -4.593 -19.545
230 HA2 GLY 28 2HA GLY 28 -21.456 -2.924 -18.479
231 HA3 GLY 28 3HA GLY 28 -20.245 -2.959 -17.207
232 H LYS 29 H LYS 29 -21.272 -1.031 -19.484
233 HA LYS 29 HA LYS 29 -18.587 -0.200 -20.369
234 HB2 LYS 29 2HB LYS 29 -19.770 0.991 -22.212
235 HB3 LYS 29 3HB LYS 29 -19.963 -0.756 -22.262
236 HG2 LYS 29 2HG LYS 29 -22.180 -0.517 -21.222
237 HG3 LYS 29 3HG LYS 29 -21.985 1.237 -21.254
238 HD2 LYS 29 2HD LYS 29 -21.539 -0.139 -23.821
239 HD3 LYS 29 3HD LYS 29 -23.194 -0.192 -23.207
240 HE2 LYS 29 2HE LYS 29 -21.630 2.369 -23.356
241 HE3 LYS 29 3HE LYS 29 -22.558 1.761 -24.727
242 HZ1 LYS 29 3HZ LYS 29 -24.531 2.145 -23.682
243 HZ2 LYS 29 1HZ LYS 29 -23.615 3.393 -22.998
244 HZ3 LYS 29 2HZ LYS 29 -23.891 1.971 -22.126
245 H ALA 30 H ALA 30 -21.621 0.847 -18.949
246 HA ALA 30 HA ALA 30 -20.278 3.163 -17.820
247 HB1 ALA 30 3HB ALA 30 -22.310 4.590 -18.539
248 HB2 ALA 30 1HB ALA 30 -21.023 4.287 -19.706
249 HB3 ALA 30 2HB ALA 30 -22.524 3.363 -19.788
Start of MODEL 12
1 H1 MET 1 H MET 1 3.622 1.085 -1.277
2 HA MET 1 HA MET 1 1.841 -0.394 -1.035
3 HB2 MET 1 2HB MET 1 1.344 1.436 1.195
4 HB3 MET 1 3HB MET 1 -0.131 0.838 0.445
5 HG2 MET 1 2HG MET 1 2.106 -0.910 1.442
6 HG3 MET 1 3HG MET 1 0.648 -0.525 2.353
7 HE1 MET 1 3HE MET 1 -1.971 -1.218 0.027
8 HE2 MET 1 1HE MET 1 -2.034 -2.501 1.236
9 HE3 MET 1 2HE MET 1 -1.540 -0.873 1.703
10 H LYS 2 H LYS 2 -0.029 -0.580 -2.262
11 HA LYS 2 HA LYS 2 -0.780 1.857 -3.734
12 HB2 LYS 2 2HB LYS 2 -0.649 -1.036 -4.523
13 HB3 LYS 2 3HB LYS 2 -1.690 0.076 -5.403
14 HG2 LYS 2 2HG LYS 2 1.016 1.090 -5.032
15 HG3 LYS 2 3HG LYS 2 0.951 -0.424 -5.938
16 HD2 LYS 2 2HD LYS 2 -0.088 0.527 -7.707
17 HD3 LYS 2 3HD LYS 2 -1.044 1.613 -6.695
18 HE2 LYS 2 2HE LYS 2 1.848 2.148 -6.727
19 HE3 LYS 2 3HE LYS 2 1.025 2.393 -8.267
20 HZ1 LYS 2 3HZ LYS 2 0.597 4.403 -7.402
21 HZ2 LYS 2 1HZ LYS 2 0.824 3.901 -5.802
22 HZ3 LYS 2 2HZ LYS 2 -0.650 3.609 -6.580
23 H THR 3 H THR 3 -2.550 2.689 -2.806
24 HA THR 3 HA THR 3 -4.470 1.374 -1.310
25 HB THR 3 HB THR 3 -5.814 3.463 -2.672
26 HG1 THR 3 HG1 THR 3 -4.196 5.141 -2.285
27 HG21 THR 3 1HG2 THR 3 -5.283 4.649 -0.434
28 HG22 THR 3 2HG2 THR 3 -4.541 3.115 0.021
29 HG23 THR 3 3HG2 THR 3 -6.251 3.176 -0.400
30 H ILE 4 H ILE 4 -4.126 1.587 -4.762
31 HA ILE 4 HA ILE 4 -6.742 0.938 -5.543
32 HB ILE 4 HB ILE 4 -5.782 0.214 -7.668
33 HG12 ILE 4 2HG1 ILE 4 -3.044 0.774 -7.379
34 HG13 ILE 4 3HG1 ILE 4 -3.458 -0.253 -6.011
35 HG21 ILE 4 1HG2 ILE 4 -5.792 2.713 -6.699
36 HG22 ILE 4 2HG2 ILE 4 -4.073 2.542 -7.048
37 HG23 ILE 4 3HG2 ILE 4 -5.261 2.314 -8.331
38 HD11 ILE 4 3HD1 ILE 4 -3.686 -0.852 -8.936
39 HD12 ILE 4 1HD1 ILE 4 -2.785 -1.722 -7.694
40 HD13 ILE 4 2HD1 ILE 4 -4.547 -1.795 -7.719
41 H LEU 5 H LEU 5 -4.187 -0.995 -4.231
42 HA LEU 5 HA LEU 5 -4.896 -3.533 -5.135
43 HB2 LEU 5 2HB LEU 5 -3.776 -2.757 -2.446
44 HB3 LEU 5 3HB LEU 5 -3.770 -4.381 -3.129
45 HG LEU 5 HG LEU 5 -2.356 -2.060 -4.424
46 HD11 LEU 5 1HD1 LEU 5 -1.691 -3.020 -1.963
47 HD12 LEU 5 2HD1 LEU 5 -0.562 -2.293 -3.107
48 HD13 LEU 5 3HD1 LEU 5 -0.728 -4.048 -3.025
49 HD21 LEU 5 3HD2 LEU 5 -2.974 -4.196 -5.694
50 HD22 LEU 5 1HD2 LEU 5 -1.763 -4.989 -4.686
51 HD23 LEU 5 2HD2 LEU 5 -1.294 -3.664 -5.751
52 H ARG 6 H ARG 6 -6.050 -1.728 -2.307
53 HA ARG 6 HA ARG 6 -7.657 -3.684 -1.166
54 HB2 ARG 6 2HB ARG 6 -7.775 -0.687 -1.198
55 HB3 ARG 6 3HB ARG 6 -9.062 -1.610 -0.431
56 HG2 ARG 6 2HG ARG 6 -7.105 -2.785 0.817
57 HG3 ARG 6 3HG ARG 6 -6.197 -1.346 0.351
58 HD2 ARG 6 2HD ARG 6 -7.108 -0.969 2.527
59 HD3 ARG 6 3HD ARG 6 -8.000 0.035 1.384
60 HE ARG 6 HE ARG 6 -9.892 -1.138 1.896
61 HH11 ARG 6 1HH1 ARG 6 -7.117 -2.956 2.951
62 HH12 ARG 6 2HH1 ARG 6 -8.054 -4.162 3.770
63 HH21 ARG 6 1HH2 ARG 6 -11.138 -2.719 2.971
64 HH22 ARG 6 2HH2 ARG 6 -10.341 -4.026 3.780
65 H PHE 7 H PHE 7 -8.214 -1.657 -3.953
66 HA PHE 7 HA PHE 7 -11.017 -2.179 -4.145
67 HB2 PHE 7 2HB PHE 7 -9.039 -1.141 -6.184
68 HB3 PHE 7 3HB PHE 7 -10.781 -1.204 -6.430
69 HD1 PHE 7 HD1 PHE 7 -8.143 0.270 -4.288
70 HD2 PHE 7 HD2 PHE 7 -12.163 0.516 -5.664
71 HE1 PHE 7 HE1 PHE 7 -8.366 2.480 -3.230
72 HE2 PHE 7 HE2 PHE 7 -12.392 2.727 -4.610
73 HZ PHE 7 HZ PHE 7 -10.493 3.713 -3.391
74 H VAL 8 H VAL 8 -8.283 -3.218 -6.193
75 HA VAL 8 HA VAL 8 -9.688 -5.110 -7.684
76 HB VAL 8 HB VAL 8 -7.398 -4.244 -8.212
77 HG11 VAL 8 1HG1 VAL 8 -5.470 -5.387 -7.219
78 HG12 VAL 8 2HG1 VAL 8 -6.396 -4.500 -6.007
79 HG13 VAL 8 3HG1 VAL 8 -6.551 -6.252 -6.127
80 HG21 VAL 8 3HG2 VAL 8 -8.410 -6.205 -9.343
81 HG22 VAL 8 1HG2 VAL 8 -6.649 -6.270 -9.280
82 HG23 VAL 8 2HG2 VAL 8 -7.608 -7.253 -8.174
83 H ALA 9 H ALA 9 -8.284 -5.311 -4.499
84 HA ALA 9 HA ALA 9 -8.098 -8.067 -4.173
85 HB1 ALA 9 3HB ALA 9 -8.227 -5.734 -2.421
86 HB2 ALA 9 1HB ALA 9 -8.867 -7.208 -1.693
87 HB3 ALA 9 2HB ALA 9 -7.218 -7.177 -2.320
88 H GLY 10 H GLY 10 -10.885 -6.024 -4.345
89 HA2 GLY 10 2HA GLY 10 -12.656 -7.984 -3.136
90 HA3 GLY 10 3HA GLY 10 -13.123 -6.431 -3.815
91 H TYR 11 H TYR 11 -11.799 -6.869 -6.356
92 HA TYR 11 HA TYR 11 -13.881 -7.944 -7.832
93 HB2 TYR 11 2HB TYR 11 -12.243 -6.518 -8.877
94 HB3 TYR 11 3HB TYR 11 -10.956 -7.671 -8.542
95 HD1 TYR 11 HD2 TYR 11 -14.362 -8.265 -9.931
96 HD2 TYR 11 HD1 TYR 11 -10.166 -8.313 -10.638
97 HE1 TYR 11 HE2 TYR 11 -14.748 -9.323 -12.119
98 HE2 TYR 11 HE1 TYR 11 -10.540 -9.369 -12.827
99 HH TYR 11 HH TYR 11 -12.188 -10.645 -13.998
100 H ASP 12 H ASP 12 -10.853 -9.496 -6.820
101 HA ASP 12 HA ASP 12 -11.195 -11.952 -8.074
102 HB2 ASP 12 2HB ASP 12 -9.196 -10.997 -6.688
103 HB3 ASP 12 3HB ASP 12 -9.992 -11.787 -5.330
104 H ILE 13 H ILE 13 -12.692 -10.666 -5.206
105 HA ILE 13 HA ILE 13 -13.771 -13.232 -4.396
106 HB ILE 13 HB ILE 13 -14.487 -10.515 -3.302
107 HG12 ILE 13 2HG1 ILE 13 -12.073 -10.817 -3.138
108 HG13 ILE 13 3HG1 ILE 13 -12.807 -10.966 -1.545
109 HG21 ILE 13 1HG2 ILE 13 -15.932 -11.667 -2.072
110 HG22 ILE 13 2HG2 ILE 13 -15.361 -13.189 -2.754
111 HG23 ILE 13 3HG2 ILE 13 -14.571 -12.509 -1.332
112 HD11 ILE 13 3HD1 ILE 13 -11.651 -12.844 -1.335
113 HD12 ILE 13 1HD1 ILE 13 -12.768 -13.556 -2.499
114 HD13 ILE 13 2HD1 ILE 13 -11.239 -12.870 -3.049
115 H ALA 14 H ALA 14 -14.824 -10.336 -6.065
116 HA ALA 14 HA ALA 14 -17.606 -10.922 -6.028
117 HB1 ALA 14 3HB ALA 14 -17.861 -9.121 -7.537
118 HB2 ALA 14 1HB ALA 14 -16.542 -8.670 -6.456
119 HB3 ALA 14 2HB ALA 14 -16.190 -9.246 -8.087
120 H SER 15 H SER 15 -14.951 -11.985 -7.981
121 HA SER 15 HA SER 15 -16.184 -12.708 -10.347
122 HB2 SER 15 2HB SER 15 -13.964 -14.106 -8.840
123 HB3 SER 15 3HB SER 15 -14.427 -14.494 -10.498
124 HG SER 15 HG SER 15 -13.760 -11.860 -9.735
125 H HIS 16 H HIS 16 -16.247 -14.304 -7.227
126 HA HIS 16 HA HIS 16 -17.886 -16.467 -8.347
127 HB2 HIS 16 2HB HIS 16 -16.422 -16.209 -5.717
128 HB3 HIS 16 3HB HIS 16 -17.520 -17.534 -6.086
129 HD1 HIS 16 HD1 HIS 16 -16.074 -19.507 -6.462
130 HD2 HIS 16 HD2 HIS 16 -14.582 -16.112 -8.334
131 HE1 HIS 16 HE1 HIS 16 -14.067 -20.285 -7.763
132 H LYS 17 H LYS 17 -17.851 -14.029 -5.781
133 HA LYS 17 HA LYS 17 -20.348 -14.614 -4.656
134 HB2 LYS 17 2HB LYS 17 -18.764 -12.052 -4.813
135 HB3 LYS 17 3HB LYS 17 -20.281 -12.172 -3.931
136 HG2 LYS 17 2HG LYS 17 -18.001 -14.034 -3.373
137 HG3 LYS 17 3HG LYS 17 -18.101 -12.439 -2.624
138 HD2 LYS 17 2HD LYS 17 -19.610 -13.154 -1.150
139 HD3 LYS 17 3HD LYS 17 -20.622 -13.829 -2.431
140 HE2 LYS 17 2HE LYS 17 -18.161 -15.228 -1.418
141 HE3 LYS 17 3HE LYS 17 -19.741 -15.444 -0.667
142 HZ1 LYS 17 3HZ LYS 17 -19.184 -15.944 -3.539
143 HZ2 LYS 17 1HZ LYS 17 -20.611 -16.300 -2.702
144 HZ3 LYS 17 2HZ LYS 17 -19.191 -17.148 -2.351
145 H LYS 18 H LYS 18 -19.699 -11.734 -6.644
146 HA LYS 18 HA LYS 18 -22.453 -11.894 -7.643
147 HB2 LYS 18 2HB LYS 18 -20.769 -9.740 -6.804
148 HB3 LYS 18 3HB LYS 18 -21.186 -9.499 -8.495
149 HG2 LYS 18 2HG LYS 18 -23.224 -8.824 -7.957
150 HG3 LYS 18 3HG LYS 18 -23.512 -10.285 -7.007
151 HD2 LYS 18 2HD LYS 18 -22.830 -9.301 -5.040
152 HD3 LYS 18 3HD LYS 18 -21.804 -8.123 -5.861
153 HE2 LYS 18 2HE LYS 18 -24.788 -8.062 -6.155
154 HE3 LYS 18 3HE LYS 18 -23.992 -7.306 -4.777
155 HZ1 LYS 18 3HZ LYS 18 -22.660 -6.004 -6.370
156 HZ2 LYS 18 1HZ LYS 18 -24.317 -5.685 -6.487
157 HZ3 LYS 18 2HZ LYS 18 -23.561 -6.662 -7.642
158 H LYS 19 H LYS 19 -22.403 -13.255 -9.365
159 HA LYS 19 HA LYS 19 -20.383 -12.814 -11.443
160 HB2 LYS 19 2HB LYS 19 -20.924 -15.132 -10.459
161 HB3 LYS 19 3HB LYS 19 -22.403 -15.044 -11.406
162 HG2 LYS 19 2HG LYS 19 -20.271 -14.374 -13.130
163 HG3 LYS 19 3HG LYS 19 -19.791 -15.814 -12.230
164 HD2 LYS 19 2HD LYS 19 -22.432 -15.525 -13.653
165 HD3 LYS 19 3HD LYS 19 -21.005 -16.272 -14.373
166 HE2 LYS 19 2HE LYS 19 -21.276 -18.169 -13.212
167 HE3 LYS 19 3HE LYS 19 -21.663 -17.309 -11.723
168 HZ1 LYS 19 3HZ LYS 19 -23.459 -18.751 -12.842
169 HZ2 LYS 19 1HZ LYS 19 -23.636 -17.448 -13.906
170 HZ3 LYS 19 2HZ LYS 19 -23.893 -17.227 -12.249
171 H THR 20 H THR 20 -23.596 -12.088 -10.695
172 HA THR 20 HA THR 20 -24.008 -10.857 -13.259
173 HB THR 20 HB THR 20 -24.767 -13.012 -13.936
174 HG1 THR 20 HG1 THR 20 -26.962 -12.540 -14.354
175 HG21 THR 20 1HG2 THR 20 -26.474 -14.271 -12.700
176 HG22 THR 20 2HG2 THR 20 -26.456 -13.047 -11.432
177 HG23 THR 20 3HG2 THR 20 -25.024 -14.029 -11.730
178 H GLY 21 H GLY 21 -25.551 -9.244 -13.202
179 HA2 GLY 21 2HA GLY 21 -27.546 -9.015 -11.202
180 HA3 GLY 21 3HA GLY 21 -26.141 -8.057 -10.755
181 H GLY 22 H GLY 22 -28.403 -8.607 -13.446
182 HA2 GLY 22 2HA GLY 22 -28.310 -5.704 -13.956
183 HA3 GLY 22 3HA GLY 22 -28.173 -6.846 -15.285
184 H TYR 23 H TYR 23 -30.306 -5.504 -12.857
185 HA TYR 23 HA TYR 23 -32.602 -6.885 -14.026
186 HB2 TYR 23 2HB TYR 23 -32.514 -5.042 -11.630
187 HB3 TYR 23 3HB TYR 23 -33.861 -6.065 -12.120
188 HD1 TYR 23 HD2 TYR 23 -30.397 -6.115 -10.816
189 HD2 TYR 23 HD1 TYR 23 -33.967 -8.337 -11.467
190 HE1 TYR 23 HE2 TYR 23 -29.511 -7.937 -9.420
191 HE2 TYR 23 HE1 TYR 23 -33.091 -10.164 -10.072
192 HH TYR 23 HH TYR 23 -31.345 -10.938 -8.934
193 HA PRO 24 HA PRO 24 -34.041 -3.461 -16.364
194 HB2 PRO 24 2HB PRO 24 -36.730 -3.708 -16.093
195 HB3 PRO 24 3HB PRO 24 -35.758 -4.811 -17.074
196 HG2 PRO 24 2HG PRO 24 -36.802 -5.170 -14.291
197 HG3 PRO 24 3HG PRO 24 -36.763 -6.332 -15.630
198 HD2 PRO 24 2HD PRO 24 -34.950 -6.367 -13.621
199 HD3 PRO 24 3HD PRO 24 -34.547 -6.857 -15.279
200 H TRP 25 H TRP 25 -35.153 -3.781 -13.055
201 HA TRP 25 HA TRP 25 -35.640 -0.875 -12.975
202 HB2 TRP 25 2HB TRP 25 -37.392 -1.173 -11.524
203 HB3 TRP 25 3HB TRP 25 -37.499 -2.690 -12.412
204 HD1 TRP 25 HD1 TRP 25 -37.058 -1.328 -8.964
205 HE1 TRP 25 HE1 TRP 25 -36.680 -3.254 -7.300
206 HE3 TRP 25 HE3 TRP 25 -36.274 -5.132 -12.289
207 HZ2 TRP 25 HZ2 TRP 25 -36.123 -6.020 -7.385
208 HZ3 TRP 25 HZ3 TRP 25 -35.826 -7.388 -11.416
209 HH2 TRP 25 HH2 TRP 25 -35.750 -7.820 -9.014
210 H GLU 26 H GLU 26 -34.001 -3.586 -11.514
211 HA GLU 26 HA GLU 26 -32.817 -1.835 -9.482
212 HB2 GLU 26 2HB GLU 26 -33.536 -4.633 -9.573
213 HB3 GLU 26 3HB GLU 26 -31.844 -4.442 -9.133
214 HG2 GLU 26 2HG GLU 26 -33.264 -2.540 -7.637
215 HG3 GLU 26 3HG GLU 26 -34.188 -4.039 -7.547
216 H ARG 27 H ARG 27 -31.407 -0.702 -10.868
217 HA ARG 27 HA ARG 27 -28.951 -2.158 -11.442
218 HB2 ARG 27 2HB ARG 27 -30.790 -1.504 -13.485
219 HB3 ARG 27 3HB ARG 27 -29.446 -0.378 -13.642
220 HG2 ARG 27 2HG ARG 27 -29.100 -3.360 -13.455
221 HG3 ARG 27 3HG ARG 27 -29.243 -2.481 -14.979
222 HD2 ARG 27 2HD ARG 27 -27.144 -1.979 -12.871
223 HD3 ARG 27 3HD ARG 27 -26.900 -2.923 -14.339
224 HE ARG 27 HE ARG 27 -27.864 -0.304 -14.912
225 HH11 ARG 27 1HH1 ARG 27 -25.010 -2.112 -14.072
226 HH12 ARG 27 2HH1 ARG 27 -23.920 -0.984 -14.807
227 HH21 ARG 27 1HH2 ARG 27 -26.439 1.190 -15.882
228 HH22 ARG 27 2HH2 ARG 27 -24.733 0.895 -15.835
229 H GLY 28 H GLY 28 -27.416 -1.048 -10.434
230 HA2 GLY 28 2HA GLY 28 -26.261 1.243 -10.850
231 HA3 GLY 28 3HA GLY 28 -27.736 1.855 -10.118
232 H LYS 29 H LYS 29 -24.728 1.637 -9.370
233 HA LYS 29 HA LYS 29 -24.802 0.157 -6.897
234 HB2 LYS 29 2HB LYS 29 -22.745 1.865 -8.270
235 HB3 LYS 29 3HB LYS 29 -22.511 1.334 -6.610
236 HG2 LYS 29 2HG LYS 29 -23.272 -0.908 -8.201
237 HG3 LYS 29 3HG LYS 29 -21.935 -0.062 -8.984
238 HD2 LYS 29 2HD LYS 29 -20.540 -0.311 -7.104
239 HD3 LYS 29 3HD LYS 29 -21.892 -0.749 -6.058
240 HE2 LYS 29 2HE LYS 29 -20.968 -2.813 -6.434
241 HE3 LYS 29 3HE LYS 29 -22.137 -2.741 -7.752
242 HZ1 LYS 29 3HZ LYS 29 -19.374 -3.079 -7.927
243 HZ2 LYS 29 1HZ LYS 29 -19.734 -1.575 -8.611
244 HZ3 LYS 29 2HZ LYS 29 -20.492 -2.971 -9.192
245 H ALA 30 H ALA 30 -23.813 3.533 -7.435
246 HA ALA 30 HA ALA 30 -25.215 4.239 -4.943
247 HB1 ALA 30 3HB ALA 30 -22.703 4.521 -5.062
248 HB2 ALA 30 1HB ALA 30 -22.997 5.821 -6.216
249 HB3 ALA 30 2HB ALA 30 -23.624 5.943 -4.572
Start of MODEL 13
1 H1 MET 1 H MET 1 1.845 1.974 0.508
2 HA MET 1 HA MET 1 2.098 -0.357 -0.661
3 HB2 MET 1 2HB MET 1 0.874 -1.126 1.592
4 HB3 MET 1 3HB MET 1 -0.549 -0.841 0.599
5 HG2 MET 1 2HG MET 1 -0.281 -2.798 -0.383
6 HG3 MET 1 3HG MET 1 1.324 -2.324 -0.934
7 HE1 MET 1 3HE MET 1 -0.690 -3.956 2.094
8 HE2 MET 1 1HE MET 1 -0.526 -4.945 0.642
9 HE3 MET 1 2HE MET 1 0.284 -5.426 2.132
10 H LYS 2 H LYS 2 0.378 -0.952 -2.309
11 HA LYS 2 HA LYS 2 -0.599 1.476 -3.491
12 HB2 LYS 2 2HB LYS 2 -0.573 -1.412 -4.308
13 HB3 LYS 2 3HB LYS 2 -1.539 -0.244 -5.203
14 HG2 LYS 2 2HG LYS 2 0.345 0.949 -5.906
15 HG3 LYS 2 3HG LYS 2 1.382 0.198 -4.690
16 HD2 LYS 2 2HD LYS 2 1.805 -1.578 -5.991
17 HD3 LYS 2 3HD LYS 2 0.122 -1.720 -6.500
18 HE2 LYS 2 2HE LYS 2 1.491 0.618 -7.595
19 HE3 LYS 2 3HE LYS 2 2.210 -0.915 -8.085
20 HZ1 LYS 2 3HZ LYS 2 -0.600 -0.045 -8.470
21 HZ2 LYS 2 1HZ LYS 2 -0.068 -1.627 -8.747
22 HZ3 LYS 2 2HZ LYS 2 0.555 -0.352 -9.667
23 H THR 3 H THR 3 -2.355 2.374 -2.596
24 HA THR 3 HA THR 3 -4.368 1.127 -1.166
25 HB THR 3 HB THR 3 -5.610 3.275 -2.503
26 HG1 THR 3 HG1 THR 3 -4.006 4.893 -2.326
27 HG21 THR 3 1HG2 THR 3 -4.889 4.426 -0.244
28 HG22 THR 3 2HG2 THR 3 -4.388 2.788 0.174
29 HG23 THR 3 3HG2 THR 3 -6.067 3.114 -0.255
30 H ILE 4 H ILE 4 -3.926 1.365 -4.606
31 HA ILE 4 HA ILE 4 -6.546 0.839 -5.461
32 HB ILE 4 HB ILE 4 -5.562 0.096 -7.569
33 HG12 ILE 4 2HG1 ILE 4 -2.812 0.535 -7.202
34 HG13 ILE 4 3HG1 ILE 4 -3.304 -0.488 -5.857
35 HG21 ILE 4 1HG2 ILE 4 -4.332 2.131 -8.121
36 HG22 ILE 4 2HG2 ILE 4 -5.740 2.489 -7.123
37 HG23 ILE 4 3HG2 ILE 4 -4.129 2.481 -6.405
38 HD11 ILE 4 3HD1 ILE 4 -3.466 -1.046 -8.794
39 HD12 ILE 4 1HD1 ILE 4 -2.658 -1.973 -7.530
40 HD13 ILE 4 2HD1 ILE 4 -4.419 -1.956 -7.621
41 H LEU 5 H LEU 5 -4.111 -1.220 -4.109
42 HA LEU 5 HA LEU 5 -4.907 -3.714 -5.061
43 HB2 LEU 5 2HB LEU 5 -3.825 -3.017 -2.335
44 HB3 LEU 5 3HB LEU 5 -3.871 -4.633 -3.038
45 HG LEU 5 HG LEU 5 -2.325 -2.360 -4.267
46 HD11 LEU 5 1HD1 LEU 5 -1.770 -3.389 -1.800
47 HD12 LEU 5 2HD1 LEU 5 -0.587 -2.676 -2.896
48 HD13 LEU 5 3HD1 LEU 5 -0.812 -4.425 -2.858
49 HD21 LEU 5 3HD2 LEU 5 -1.298 -3.994 -5.585
50 HD22 LEU 5 1HD2 LEU 5 -3.001 -4.456 -5.575
51 HD23 LEU 5 2HD2 LEU 5 -1.850 -5.310 -4.548
52 H ARG 6 H ARG 6 -6.055 -1.892 -2.243
53 HA ARG 6 HA ARG 6 -7.775 -3.787 -1.168
54 HB2 ARG 6 2HB ARG 6 -7.613 -0.819 -1.102
55 HB3 ARG 6 3HB ARG 6 -9.121 -1.554 -0.571
56 HG2 ARG 6 2HG ARG 6 -7.561 -3.042 0.890
57 HG3 ARG 6 3HG ARG 6 -6.398 -1.740 0.628
58 HD2 ARG 6 2HD ARG 6 -7.802 -0.148 1.661
59 HD3 ARG 6 3HD ARG 6 -9.192 -1.230 1.611
60 HE ARG 6 HE ARG 6 -7.168 -2.417 3.151
61 HH11 ARG 6 1HH1 ARG 6 -9.394 0.258 3.258
62 HH12 ARG 6 2HH1 ARG 6 -9.498 0.271 4.987
63 HH21 ARG 6 1HH2 ARG 6 -7.297 -2.409 5.429
64 HH22 ARG 6 2HH2 ARG 6 -8.305 -1.246 6.221
65 H PHE 7 H PHE 7 -8.170 -1.706 -3.943
66 HA PHE 7 HA PHE 7 -10.987 -2.104 -4.215
67 HB2 PHE 7 2HB PHE 7 -8.913 -1.129 -6.189
68 HB3 PHE 7 3HB PHE 7 -10.650 -1.112 -6.480
69 HD1 PHE 7 HD1 PHE 7 -8.006 0.217 -4.250
70 HD2 PHE 7 HD2 PHE 7 -11.972 0.661 -5.728
71 HE1 PHE 7 HE1 PHE 7 -8.158 2.422 -3.169
72 HE2 PHE 7 HE2 PHE 7 -12.131 2.867 -4.651
73 HZ PHE 7 HZ PHE 7 -10.222 3.750 -3.370
74 H VAL 8 H VAL 8 -8.248 -3.235 -6.205
75 HA VAL 8 HA VAL 8 -9.692 -5.047 -7.757
76 HB VAL 8 HB VAL 8 -7.353 -4.275 -8.212
77 HG11 VAL 8 1HG1 VAL 8 -5.504 -5.513 -7.184
78 HG12 VAL 8 2HG1 VAL 8 -6.424 -4.602 -5.984
79 HG13 VAL 8 3HG1 VAL 8 -6.649 -6.345 -6.133
80 HG21 VAL 8 3HG2 VAL 8 -7.652 -7.274 -8.219
81 HG22 VAL 8 1HG2 VAL 8 -8.442 -6.197 -9.370
82 HG23 VAL 8 2HG2 VAL 8 -6.682 -6.293 -9.316
83 H ALA 9 H ALA 9 -8.384 -5.346 -4.538
84 HA ALA 9 HA ALA 9 -8.327 -8.113 -4.244
85 HB1 ALA 9 3HB ALA 9 -9.110 -7.267 -1.772
86 HB2 ALA 9 1HB ALA 9 -7.449 -7.266 -2.366
87 HB3 ALA 9 2HB ALA 9 -8.420 -5.796 -2.458
88 H GLY 10 H GLY 10 -11.017 -5.948 -4.462
89 HA2 GLY 10 2HA GLY 10 -12.905 -7.826 -3.314
90 HA3 GLY 10 3HA GLY 10 -13.283 -6.259 -4.013
91 H TYR 11 H TYR 11 -11.928 -6.743 -6.515
92 HA TYR 11 HA TYR 11 -14.008 -7.765 -8.036
93 HB2 TYR 11 2HB TYR 11 -12.338 -6.379 -9.064
94 HB3 TYR 11 3HB TYR 11 -11.064 -7.529 -8.674
95 HD1 TYR 11 HD1 TYR 11 -14.426 -8.150 -10.154
96 HD2 TYR 11 HD2 TYR 11 -10.212 -8.192 -10.740
97 HE1 TYR 11 HE1 TYR 11 -14.748 -9.235 -12.338
98 HE2 TYR 11 HE2 TYR 11 -10.521 -9.277 -12.926
99 HH TYR 11 HH TYR 11 -13.085 -9.271 -14.636
100 H ASP 12 H ASP 12 -11.052 -9.387 -6.932
101 HA ASP 12 HA ASP 12 -11.477 -11.844 -8.206
102 HB2 ASP 12 2HB ASP 12 -9.372 -11.010 -7.011
103 HB3 ASP 12 3HB ASP 12 -10.138 -11.551 -5.520
104 H ILE 13 H ILE 13 -12.840 -10.486 -5.307
105 HA ILE 13 HA ILE 13 -13.917 -13.000 -4.375
106 HB ILE 13 HB ILE 13 -14.597 -10.215 -3.430
107 HG12 ILE 13 2HG1 ILE 13 -12.178 -10.661 -3.256
108 HG13 ILE 13 3HG1 ILE 13 -12.937 -10.567 -1.671
109 HG21 ILE 13 1HG2 ILE 13 -15.065 -12.962 -2.308
110 HG22 ILE 13 2HG2 ILE 13 -15.124 -11.511 -1.308
111 HG23 ILE 13 3HG2 ILE 13 -16.247 -11.700 -2.654
112 HD11 ILE 13 3HD1 ILE 13 -11.387 -12.666 -2.792
113 HD12 ILE 13 1HD1 ILE 13 -12.068 -12.531 -1.172
114 HD13 ILE 13 2HD1 ILE 13 -13.011 -13.269 -2.466
115 H ALA 14 H ALA 14 -15.044 -10.177 -6.136
116 HA ALA 14 HA ALA 14 -17.809 -10.878 -6.065
117 HB1 ALA 14 3HB ALA 14 -18.115 -8.872 -6.989
118 HB2 ALA 14 1HB ALA 14 -16.378 -8.638 -6.786
119 HB3 ALA 14 2HB ALA 14 -17.015 -9.226 -8.322
120 H SER 15 H SER 15 -15.115 -11.780 -8.041
121 HA SER 15 HA SER 15 -16.499 -12.599 -10.356
122 HB2 SER 15 2HB SER 15 -13.975 -12.275 -10.051
123 HB3 SER 15 3HB SER 15 -13.968 -13.890 -9.343
124 HG SER 15 HG SER 15 -14.636 -14.737 -11.267
125 H HIS 16 H HIS 16 -15.772 -14.215 -7.321
126 HA HIS 16 HA HIS 16 -17.202 -16.604 -8.266
127 HB2 HIS 16 2HB HIS 16 -15.108 -16.170 -6.163
128 HB3 HIS 16 3HB HIS 16 -16.185 -17.559 -6.056
129 HD1 HIS 16 HD1 HIS 16 -13.692 -18.730 -6.336
130 HD2 HIS 16 HD2 HIS 16 -15.407 -16.985 -9.694
131 HE1 HIS 16 HE1 HIS 16 -12.485 -19.728 -8.304
132 H LYS 17 H LYS 17 -18.388 -14.043 -7.312
133 HA LYS 17 HA LYS 17 -19.444 -14.355 -4.721
134 HB2 LYS 17 2HB LYS 17 -19.412 -12.250 -6.152
135 HB3 LYS 17 3HB LYS 17 -20.808 -12.914 -6.992
136 HG2 LYS 17 2HG LYS 17 -21.558 -13.127 -4.373
137 HG3 LYS 17 3HG LYS 17 -20.622 -11.631 -4.379
138 HD2 LYS 17 2HD LYS 17 -22.597 -12.035 -6.560
139 HD3 LYS 17 3HD LYS 17 -23.218 -11.680 -4.946
140 HE2 LYS 17 2HE LYS 17 -22.036 -9.625 -4.852
141 HE3 LYS 17 3HE LYS 17 -21.089 -10.026 -6.284
142 HZ1 LYS 17 3HZ LYS 17 -22.617 -8.769 -7.309
143 HZ2 LYS 17 1HZ LYS 17 -23.769 -8.948 -6.082
144 HZ3 LYS 17 2HZ LYS 17 -23.577 -10.160 -7.245
145 H LYS 18 H LYS 18 -20.868 -15.074 -7.904
146 HA LYS 18 HA LYS 18 -22.543 -17.107 -6.614
147 HB2 LYS 18 2HB LYS 18 -23.893 -15.043 -6.905
148 HB3 LYS 18 3HB LYS 18 -23.575 -15.108 -8.634
149 HG2 LYS 18 2HG LYS 18 -25.197 -16.588 -8.969
150 HG3 LYS 18 3HG LYS 18 -24.647 -17.607 -7.636
151 HD2 LYS 18 2HD LYS 18 -26.834 -16.913 -7.067
152 HD3 LYS 18 3HD LYS 18 -25.745 -15.932 -6.083
153 HE2 LYS 18 2HE LYS 18 -26.559 -14.060 -6.961
154 HE3 LYS 18 3HE LYS 18 -26.227 -14.634 -8.595
155 HZ1 LYS 18 3HZ LYS 18 -28.712 -14.453 -7.224
156 HZ2 LYS 18 1HZ LYS 18 -28.446 -16.029 -7.777
157 HZ3 LYS 18 2HZ LYS 18 -28.413 -14.735 -8.864
158 H LYS 19 H LYS 19 -20.663 -18.303 -7.619
159 HA LYS 19 HA LYS 19 -21.017 -18.712 -10.503
160 HB2 LYS 19 2HB LYS 19 -18.732 -18.225 -9.632
161 HB3 LYS 19 3HB LYS 19 -18.804 -19.718 -8.705
162 HG2 LYS 19 2HG LYS 19 -19.408 -20.132 -11.513
163 HG3 LYS 19 3HG LYS 19 -17.812 -19.422 -11.257
164 HD2 LYS 19 2HD LYS 19 -16.993 -21.340 -10.459
165 HD3 LYS 19 3HD LYS 19 -18.368 -21.559 -9.374
166 HE2 LYS 19 2HE LYS 19 -19.347 -23.020 -10.753
167 HE3 LYS 19 3HE LYS 19 -19.059 -22.004 -12.164
168 HZ1 LYS 19 3HZ LYS 19 -17.015 -22.974 -12.550
169 HZ2 LYS 19 1HZ LYS 19 -17.930 -24.296 -12.020
170 HZ3 LYS 19 2HZ LYS 19 -16.847 -23.538 -10.964
171 H THR 20 H THR 20 -21.805 -20.080 -7.516
172 HA THR 20 HA THR 20 -23.135 -22.286 -8.695
173 HB THR 20 HB THR 20 -20.977 -23.320 -8.873
174 HG1 THR 20 HG1 THR 20 -22.021 -24.436 -6.492
175 HG21 THR 20 1HG2 THR 20 -19.451 -23.575 -7.023
176 HG22 THR 20 2HG2 THR 20 -20.593 -22.803 -5.923
177 HG23 THR 20 3HG2 THR 20 -19.834 -21.864 -7.209
178 H GLY 21 H GLY 21 -24.735 -22.972 -7.380
179 HA2 GLY 21 2HA GLY 21 -26.017 -23.241 -5.488
180 HA3 GLY 21 3HA GLY 21 -24.555 -23.010 -4.541
181 H GLY 22 H GLY 22 -27.433 -21.564 -5.750
182 HA2 GLY 22 2HA GLY 22 -26.635 -18.901 -4.832
183 HA3 GLY 22 3HA GLY 22 -28.098 -19.295 -5.723
184 H TYR 23 H TYR 23 -29.761 -20.546 -4.535
185 HA TYR 23 HA TYR 23 -29.723 -19.909 -1.658
186 HB2 TYR 23 2HB TYR 23 -32.143 -19.813 -3.470
187 HB3 TYR 23 3HB TYR 23 -32.092 -19.387 -1.762
188 HD1 TYR 23 HD1 TYR 23 -30.914 -18.380 -5.126
189 HD2 TYR 23 HD2 TYR 23 -31.436 -17.223 -1.064
190 HE1 TYR 23 HE1 TYR 23 -30.397 -16.053 -5.729
191 HE2 TYR 23 HE2 TYR 23 -30.922 -14.892 -1.657
192 HH TYR 23 HH TYR 23 -29.485 -13.992 -4.501
193 HA PRO 24 HA PRO 24 -30.751 -24.093 -0.829
194 HB2 PRO 24 2HB PRO 24 -32.352 -23.840 1.348
195 HB3 PRO 24 3HB PRO 24 -30.606 -23.568 1.402
196 HG2 PRO 24 2HG PRO 24 -32.828 -21.571 1.211
197 HG3 PRO 24 3HG PRO 24 -31.360 -21.520 2.204
198 HD2 PRO 24 2HD PRO 24 -31.598 -20.147 -0.117
199 HD3 PRO 24 3HD PRO 24 -30.048 -20.801 0.451
200 H TRP 25 H TRP 25 -33.372 -21.796 -1.203
201 HA TRP 25 HA TRP 25 -35.157 -24.011 -1.976
202 HB2 TRP 25 2HB TRP 25 -36.956 -22.933 -1.045
203 HB3 TRP 25 3HB TRP 25 -35.685 -22.326 0.013
204 HD1 TRP 25 HD1 TRP 25 -38.342 -21.180 -2.346
205 HE1 TRP 25 HE1 TRP 25 -38.238 -18.621 -2.610
206 HE3 TRP 25 HE3 TRP 25 -33.839 -20.312 -0.085
207 HZ2 TRP 25 HZ2 TRP 25 -36.481 -16.514 -1.948
208 HZ3 TRP 25 HZ3 TRP 25 -33.018 -17.996 0.058
209 HH2 TRP 25 HH2 TRP 25 -34.312 -16.139 -0.855
210 H GLU 26 H GLU 26 -33.803 -20.924 -2.875
211 HA GLU 26 HA GLU 26 -35.311 -20.944 -5.390
212 HB2 GLU 26 2HB GLU 26 -34.267 -18.868 -3.670
213 HB3 GLU 26 3HB GLU 26 -33.672 -18.669 -5.313
214 HG2 GLU 26 2HG GLU 26 -36.409 -19.248 -5.534
215 HG3 GLU 26 3HG GLU 26 -36.250 -18.071 -4.232
216 H ARG 27 H ARG 27 -34.167 -22.641 -6.394
217 HA ARG 27 HA ARG 27 -31.550 -21.815 -7.432
218 HB2 ARG 27 2HB ARG 27 -31.054 -23.405 -5.676
219 HB3 ARG 27 3HB ARG 27 -32.226 -24.543 -6.324
220 HG2 ARG 27 2HG ARG 27 -30.303 -23.831 -8.338
221 HG3 ARG 27 3HG ARG 27 -29.495 -24.409 -6.879
222 HD2 ARG 27 2HD ARG 27 -30.504 -26.491 -6.990
223 HD3 ARG 27 3HD ARG 27 -31.835 -25.904 -7.986
224 HE ARG 27 HE ARG 27 -29.338 -25.713 -9.342
225 HH11 ARG 27 1HH1 ARG 27 -31.855 -27.937 -8.426
226 HH12 ARG 27 2HH1 ARG 27 -31.552 -29.025 -9.740
227 HH21 ARG 27 1HH2 ARG 27 -28.928 -27.138 -11.076
228 HH22 ARG 27 2HH2 ARG 27 -29.886 -28.570 -11.246
229 H GLY 28 H GLY 28 -31.879 -21.552 -9.544
230 HA2 GLY 28 2HA GLY 28 -32.857 -23.771 -11.120
231 HA3 GLY 28 3HA GLY 28 -33.908 -22.363 -11.134
232 H LYS 29 H LYS 29 -33.636 -21.834 -13.269
233 HA LYS 29 HA LYS 29 -30.974 -21.515 -14.366
234 HB2 LYS 29 2HB LYS 29 -32.155 -20.887 -16.439
235 HB3 LYS 29 3HB LYS 29 -32.713 -22.426 -15.798
236 HG2 LYS 29 2HG LYS 29 -34.408 -20.561 -14.647
237 HG3 LYS 29 3HG LYS 29 -34.182 -19.989 -16.302
238 HD2 LYS 29 2HD LYS 29 -34.612 -22.480 -16.931
239 HD3 LYS 29 3HD LYS 29 -35.342 -22.568 -15.326
240 HE2 LYS 29 2HE LYS 29 -37.211 -21.729 -16.186
241 HE3 LYS 29 3HE LYS 29 -36.343 -20.229 -16.510
242 HZ1 LYS 29 3HZ LYS 29 -37.505 -21.425 -18.442
243 HZ2 LYS 29 1HZ LYS 29 -36.186 -22.484 -18.402
244 HZ3 LYS 29 2HZ LYS 29 -35.940 -20.835 -18.689
245 H ALA 30 H ALA 30 -33.563 -19.518 -13.130
246 HA ALA 30 HA ALA 30 -31.839 -17.157 -13.501
247 HB1 ALA 30 3HB ALA 30 -34.574 -17.585 -14.367
248 HB2 ALA 30 1HB ALA 30 -34.410 -16.154 -13.350
249 HB3 ALA 30 2HB ALA 30 -33.434 -16.316 -14.810
Start of MODEL 14
1 H1 MET 1 H MET 1 2.408 2.480 -0.439
2 HA MET 1 HA MET 1 2.069 -0.229 -0.987
3 HB2 MET 1 2HB MET 1 0.391 0.823 1.267
4 HB3 MET 1 3HB MET 1 -0.229 -0.440 0.212
5 HG2 MET 1 2HG MET 1 2.100 -1.553 0.792
6 HG3 MET 1 3HG MET 1 1.943 -0.537 2.223
7 HE1 MET 1 3HE MET 1 0.679 -3.838 0.442
8 HE2 MET 1 1HE MET 1 2.020 -3.773 1.586
9 HE3 MET 1 2HE MET 1 0.530 -4.611 2.021
10 H LYS 2 H LYS 2 0.144 -0.669 -2.292
11 HA LYS 2 HA LYS 2 -0.709 1.752 -3.699
12 HB2 LYS 2 2HB LYS 2 -0.606 -1.158 -4.435
13 HB3 LYS 2 3HB LYS 2 -1.601 -0.038 -5.355
14 HG2 LYS 2 2HG LYS 2 0.983 1.106 -5.047
15 HG3 LYS 2 3HG LYS 2 1.165 -0.557 -5.610
16 HD2 LYS 2 2HD LYS 2 0.986 0.766 -7.558
17 HD3 LYS 2 3HD LYS 2 -0.589 -0.007 -7.358
18 HE2 LYS 2 2HE LYS 2 -1.526 2.001 -6.446
19 HE3 LYS 2 3HE LYS 2 0.058 2.775 -6.394
20 HZ1 LYS 2 3HZ LYS 2 -1.505 2.042 -8.806
21 HZ2 LYS 2 1HZ LYS 2 0.108 2.552 -8.859
22 HZ3 LYS 2 2HZ LYS 2 -1.091 3.596 -8.283
23 H THR 3 H THR 3 -2.473 2.607 -2.769
24 HA THR 3 HA THR 3 -4.421 1.318 -1.290
25 HB THR 3 HB THR 3 -5.690 3.434 -2.729
26 HG1 THR 3 HG1 THR 3 -3.941 5.012 -1.942
27 HG21 THR 3 1HG2 THR 3 -4.458 3.803 -0.035
28 HG22 THR 3 2HG2 THR 3 -5.738 2.606 -0.236
29 HG23 THR 3 3HG2 THR 3 -6.044 4.299 -0.623
30 H ILE 4 H ILE 4 -4.049 1.521 -4.743
31 HA ILE 4 HA ILE 4 -6.657 0.897 -5.552
32 HB ILE 4 HB ILE 4 -5.673 0.127 -7.654
33 HG12 ILE 4 2HG1 ILE 4 -2.938 0.675 -7.332
34 HG13 ILE 4 3HG1 ILE 4 -3.378 -0.330 -5.956
35 HG21 ILE 4 1HG2 ILE 4 -4.036 2.266 -7.835
36 HG22 ILE 4 2HG2 ILE 4 -5.796 2.363 -7.891
37 HG23 ILE 4 3HG2 ILE 4 -4.944 2.677 -6.380
38 HD11 ILE 4 3HD1 ILE 4 -3.518 -0.968 -8.872
39 HD12 ILE 4 1HD1 ILE 4 -2.711 -1.849 -7.575
40 HD13 ILE 4 2HD1 ILE 4 -4.471 -1.866 -7.691
41 H LEU 5 H LEU 5 -4.136 -1.073 -4.211
42 HA LEU 5 HA LEU 5 -4.883 -3.603 -5.094
43 HB2 LEU 5 2HB LEU 5 -3.778 -2.823 -2.398
44 HB3 LEU 5 3HB LEU 5 -3.792 -4.453 -3.069
45 HG LEU 5 HG LEU 5 -2.325 -2.163 -4.363
46 HD11 LEU 5 1HD1 LEU 5 -0.730 -4.163 -2.957
47 HD12 LEU 5 2HD1 LEU 5 -1.705 -3.152 -1.890
48 HD13 LEU 5 3HD1 LEU 5 -0.564 -2.408 -3.011
49 HD21 LEU 5 3HD2 LEU 5 -2.974 -4.306 -5.621
50 HD22 LEU 5 1HD2 LEU 5 -1.766 -5.099 -4.609
51 HD23 LEU 5 2HD2 LEU 5 -1.290 -3.784 -5.683
52 H ARG 6 H ARG 6 -6.037 -1.755 -2.294
53 HA ARG 6 HA ARG 6 -7.689 -3.676 -1.155
54 HB2 ARG 6 2HB ARG 6 -7.836 -0.672 -1.234
55 HB3 ARG 6 3HB ARG 6 -9.047 -1.624 -0.387
56 HG2 ARG 6 2HG ARG 6 -7.525 -2.384 1.196
57 HG3 ARG 6 3HG ARG 6 -6.133 -1.991 0.184
58 HD2 ARG 6 2HD ARG 6 -6.022 -0.227 1.611
59 HD3 ARG 6 3HD ARG 6 -7.146 0.457 0.438
60 HE ARG 6 HE ARG 6 -8.715 0.505 2.085
61 HH11 ARG 6 1HH1 ARG 6 -6.332 -1.895 2.910
62 HH12 ARG 6 2HH1 ARG 6 -7.038 -2.256 4.450
63 HH21 ARG 6 1HH2 ARG 6 -9.654 0.039 4.111
64 HH22 ARG 6 2HH2 ARG 6 -8.928 -1.156 5.132
65 H PHE 7 H PHE 7 -8.184 -1.654 -3.959
66 HA PHE 7 HA PHE 7 -10.994 -2.135 -4.178
67 HB2 PHE 7 2HB PHE 7 -8.982 -1.139 -6.204
68 HB3 PHE 7 3HB PHE 7 -10.723 -1.172 -6.461
69 HD1 PHE 7 HD1 PHE 7 -8.073 0.262 -4.307
70 HD2 PHE 7 HD2 PHE 7 -12.078 0.577 -5.715
71 HE1 PHE 7 HE1 PHE 7 -8.263 2.480 -3.259
72 HE2 PHE 7 HE2 PHE 7 -12.273 2.797 -4.671
73 HZ PHE 7 HZ PHE 7 -10.365 3.752 -3.442
74 H VAL 8 H VAL 8 -8.256 -3.223 -6.194
75 HA VAL 8 HA VAL 8 -9.672 -5.100 -7.691
76 HB VAL 8 HB VAL 8 -7.363 -4.273 -8.196
77 HG11 VAL 8 1HG1 VAL 8 -6.570 -6.289 -6.097
78 HG12 VAL 8 2HG1 VAL 8 -5.464 -5.436 -7.175
79 HG13 VAL 8 3HG1 VAL 8 -6.395 -4.539 -5.976
80 HG21 VAL 8 3HG2 VAL 8 -8.451 -6.287 -9.257
81 HG22 VAL 8 1HG2 VAL 8 -6.690 -6.249 -9.321
82 HG23 VAL 8 2HG2 VAL 8 -7.507 -7.281 -8.148
83 H ALA 9 H ALA 9 -8.308 -5.309 -4.489
84 HA ALA 9 HA ALA 9 -8.170 -8.068 -4.150
85 HB1 ALA 9 3HB ALA 9 -8.325 -5.726 -2.393
86 HB2 ALA 9 1HB ALA 9 -8.926 -7.223 -1.679
87 HB3 ALA 9 2HB ALA 9 -7.280 -7.144 -2.310
88 H GLY 10 H GLY 10 -10.923 -5.981 -4.362
89 HA2 GLY 10 2HA GLY 10 -12.735 -7.917 -3.173
90 HA3 GLY 10 3HA GLY 10 -13.170 -6.352 -3.844
91 H TYR 11 H TYR 11 -11.862 -6.765 -6.381
92 HA TYR 11 HA TYR 11 -13.945 -7.816 -7.872
93 HB2 TYR 11 2HB TYR 11 -12.304 -6.385 -8.903
94 HB3 TYR 11 3HB TYR 11 -11.017 -7.539 -8.573
95 HD1 TYR 11 HD2 TYR 11 -14.421 -7.997 -10.041
96 HD2 TYR 11 HD1 TYR 11 -10.215 -8.292 -10.610
97 HE1 TYR 11 HE2 TYR 11 -14.797 -9.035 -12.239
98 HE2 TYR 11 HE1 TYR 11 -10.579 -9.330 -12.810
99 HH TYR 11 HH TYR 11 -13.643 -9.383 -14.331
100 H ASP 12 H ASP 12 -10.909 -9.391 -6.906
101 HA ASP 12 HA ASP 12 -11.309 -11.837 -8.178
102 HB2 ASP 12 2HB ASP 12 -9.219 -10.971 -6.969
103 HB3 ASP 12 3HB ASP 12 -9.967 -11.574 -5.492
104 H ILE 13 H ILE 13 -12.691 -10.553 -5.257
105 HA ILE 13 HA ILE 13 -13.725 -13.112 -4.382
106 HB ILE 13 HB ILE 13 -14.430 -10.373 -3.327
107 HG12 ILE 13 2HG1 ILE 13 -12.006 -10.721 -3.213
108 HG13 ILE 13 3HG1 ILE 13 -12.720 -10.771 -1.605
109 HG21 ILE 13 1HG2 ILE 13 -16.004 -12.042 -2.636
110 HG22 ILE 13 2HG2 ILE 13 -14.707 -13.146 -2.184
111 HG23 ILE 13 3HG2 ILE 13 -14.962 -11.663 -1.265
112 HD11 ILE 13 3HD1 ILE 13 -12.586 -13.177 -1.582
113 HD12 ILE 13 1HD1 ILE 13 -11.982 -13.187 -3.238
114 HD13 ILE 13 2HD1 ILE 13 -11.004 -12.489 -1.946
115 H ALA 14 H ALA 14 -14.835 -10.312 -6.148
116 HA ALA 14 HA ALA 14 -17.618 -10.911 -6.003
117 HB1 ALA 14 3HB ALA 14 -17.736 -8.852 -6.815
118 HB2 ALA 14 1HB ALA 14 -15.992 -8.840 -7.072
119 HB3 ALA 14 2HB ALA 14 -17.067 -9.416 -8.346
120 H SER 15 H SER 15 -14.999 -11.961 -8.027
121 HA SER 15 HA SER 15 -16.320 -12.795 -10.312
122 HB2 SER 15 2HB SER 15 -14.011 -14.173 -8.918
123 HB3 SER 15 3HB SER 15 -14.489 -14.418 -10.598
124 HG SER 15 HG SER 15 -13.548 -12.010 -9.427
125 H HIS 16 H HIS 16 -16.042 -14.391 -7.182
126 HA HIS 16 HA HIS 16 -17.353 -16.792 -8.053
127 HB2 HIS 16 2HB HIS 16 -16.809 -15.793 -5.249
128 HB3 HIS 16 3HB HIS 16 -17.306 -17.426 -5.684
129 HD1 HIS 16 HD1 HIS 16 -15.482 -19.050 -6.199
130 HD2 HIS 16 HD2 HIS 16 -14.151 -15.115 -6.248
131 HE1 HIS 16 HE1 HIS 16 -12.985 -19.189 -6.458
132 H LYS 17 H LYS 17 -18.283 -13.897 -6.248
133 HA LYS 17 HA LYS 17 -20.833 -14.643 -5.449
134 HB2 LYS 17 2HB LYS 17 -19.347 -12.390 -5.211
135 HB3 LYS 17 3HB LYS 17 -20.538 -11.856 -6.389
136 HG2 LYS 17 2HG LYS 17 -21.855 -11.396 -4.666
137 HG3 LYS 17 3HG LYS 17 -22.052 -13.139 -4.469
138 HD2 LYS 17 2HD LYS 17 -19.626 -11.955 -3.270
139 HD3 LYS 17 3HD LYS 17 -21.161 -11.512 -2.520
140 HE2 LYS 17 2HE LYS 17 -20.670 -14.378 -3.146
141 HE3 LYS 17 3HE LYS 17 -19.813 -13.666 -1.780
142 HZ1 LYS 17 3HZ LYS 17 -22.758 -13.558 -2.137
143 HZ2 LYS 17 1HZ LYS 17 -21.880 -13.061 -0.779
144 HZ3 LYS 17 2HZ LYS 17 -21.958 -14.702 -1.181
145 H LYS 18 H LYS 18 -20.029 -12.707 -8.339
146 HA LYS 18 HA LYS 18 -22.261 -13.998 -9.740
147 HB2 LYS 18 2HB LYS 18 -22.697 -11.588 -8.747
148 HB3 LYS 18 3HB LYS 18 -21.796 -11.077 -10.168
149 HG2 LYS 18 2HG LYS 18 -23.391 -12.106 -11.627
150 HG3 LYS 18 3HG LYS 18 -24.235 -12.837 -10.261
151 HD2 LYS 18 2HD LYS 18 -24.563 -10.428 -9.433
152 HD3 LYS 18 3HD LYS 18 -24.115 -9.948 -11.071
153 HE2 LYS 18 2HE LYS 18 -26.485 -10.065 -11.010
154 HE3 LYS 18 3HE LYS 18 -25.927 -11.479 -11.902
155 HZ1 LYS 18 3HZ LYS 18 -26.191 -11.946 -9.081
156 HZ2 LYS 18 1HZ LYS 18 -26.781 -12.848 -10.385
157 HZ3 LYS 18 2HZ LYS 18 -27.653 -11.516 -9.815
158 H LYS 19 H LYS 19 -21.669 -14.749 -11.662
159 HA LYS 19 HA LYS 19 -19.173 -13.741 -12.845
160 HB2 LYS 19 2HB LYS 19 -19.209 -16.140 -12.273
161 HB3 LYS 19 3HB LYS 19 -20.602 -16.364 -13.324
162 HG2 LYS 19 2HG LYS 19 -18.303 -15.107 -14.628
163 HG3 LYS 19 3HG LYS 19 -18.012 -16.750 -14.052
164 HD2 LYS 19 2HD LYS 19 -19.723 -17.640 -15.382
165 HD3 LYS 19 3HD LYS 19 -20.458 -16.057 -15.649
166 HE2 LYS 19 2HE LYS 19 -19.164 -15.651 -17.421
167 HE3 LYS 19 3HE LYS 19 -17.707 -16.169 -16.573
168 HZ1 LYS 19 3HZ LYS 19 -17.729 -18.042 -17.723
169 HZ2 LYS 19 1HZ LYS 19 -19.097 -17.523 -18.572
170 HZ3 LYS 19 2HZ LYS 19 -19.274 -18.425 -17.153
171 H THR 20 H THR 20 -22.530 -13.750 -13.231
172 HA THR 20 HA THR 20 -22.271 -13.025 -16.077
173 HB THR 20 HB THR 20 -24.696 -13.600 -16.278
174 HG1 THR 20 HG1 THR 20 -25.266 -13.492 -14.073
175 HG21 THR 20 1HG2 THR 20 -23.550 -16.122 -15.301
176 HG22 THR 20 2HG2 THR 20 -22.520 -15.236 -16.427
177 HG23 THR 20 3HG2 THR 20 -24.155 -15.696 -16.902
178 H GLY 21 H GLY 21 -21.659 -10.892 -15.023
179 HA2 GLY 21 2HA GLY 21 -23.748 -9.052 -15.346
180 HA3 GLY 21 3HA GLY 21 -23.547 -9.343 -13.624
181 H GLY 22 H GLY 22 -21.475 -8.738 -16.471
182 HA2 GLY 22 2HA GLY 22 -20.122 -6.648 -14.894
183 HA3 GLY 22 3HA GLY 22 -19.176 -7.868 -15.735
184 H TYR 23 H TYR 23 -20.879 -4.907 -16.000
185 HA TYR 23 HA TYR 23 -20.380 -4.855 -18.903
186 HB2 TYR 23 2HB TYR 23 -22.346 -3.167 -17.345
187 HB3 TYR 23 3HB TYR 23 -22.153 -3.208 -19.094
188 HD1 TYR 23 HD1 TYR 23 -23.234 -5.195 -16.163
189 HD2 TYR 23 HD2 TYR 23 -23.254 -4.845 -20.403
190 HE1 TYR 23 HE1 TYR 23 -24.913 -6.987 -16.297
191 HE2 TYR 23 HE2 TYR 23 -24.933 -6.635 -20.548
192 HH TYR 23 HH TYR 23 -26.763 -7.581 -18.921
193 HA PRO 24 HA PRO 24 -17.491 -1.588 -18.425
194 HB2 PRO 24 2HB PRO 24 -17.965 -0.111 -20.654
195 HB3 PRO 24 3HB PRO 24 -17.171 -1.690 -20.698
196 HG2 PRO 24 2HG PRO 24 -20.026 -0.990 -21.263
197 HG3 PRO 24 3HG PRO 24 -18.948 -2.090 -22.143
198 HD2 PRO 24 2HD PRO 24 -20.812 -2.970 -20.388
199 HD3 PRO 24 3HD PRO 24 -19.267 -3.806 -20.638
200 H TRP 25 H TRP 25 -20.856 -0.749 -18.934
201 HA TRP 25 HA TRP 25 -20.379 1.834 -17.599
202 HB2 TRP 25 2HB TRP 25 -21.960 2.848 -18.914
203 HB3 TRP 25 3HB TRP 25 -21.405 1.612 -20.041
204 HD1 TRP 25 HD1 TRP 25 -24.475 2.841 -18.308
205 HE1 TRP 25 HE1 TRP 25 -26.468 1.310 -18.858
206 HE3 TRP 25 HE3 TRP 25 -21.944 -1.030 -20.485
207 HZ2 TRP 25 HZ2 TRP 25 -26.909 -1.208 -20.056
208 HZ3 TRP 25 HZ3 TRP 25 -23.227 -2.964 -21.307
209 HH2 TRP 25 HH2 TRP 25 -25.658 -3.049 -21.095
210 H GLU 26 H GLU 26 -22.255 -1.105 -17.647
211 HA GLU 26 HA GLU 26 -23.819 -0.199 -15.337
212 HB2 GLU 26 2HB GLU 26 -24.335 -1.968 -17.565
213 HB3 GLU 26 3HB GLU 26 -24.628 -2.792 -16.039
214 HG2 GLU 26 2HG GLU 26 -25.791 -0.251 -15.793
215 HG3 GLU 26 3HG GLU 26 -26.235 -0.851 -17.389
216 H ARG 27 H ARG 27 -22.149 -0.343 -13.790
217 HA ARG 27 HA ARG 27 -20.745 -2.814 -13.362
218 HB2 ARG 27 2HB ARG 27 -19.795 -1.695 -11.407
219 HB3 ARG 27 3HB ARG 27 -19.704 -0.661 -12.826
220 HG2 ARG 27 2HG ARG 27 -20.491 0.893 -11.410
221 HG3 ARG 27 3HG ARG 27 -22.049 0.162 -11.802
222 HD2 ARG 27 2HD ARG 27 -21.883 0.385 -9.418
223 HD3 ARG 27 3HD ARG 27 -21.788 -1.325 -9.833
224 HE ARG 27 HE ARG 27 -19.641 -1.372 -9.026
225 HH11 ARG 27 1HH1 ARG 27 -20.670 1.933 -9.393
226 HH12 ARG 27 2HH1 ARG 27 -19.292 2.591 -8.571
227 HH21 ARG 27 1HH2 ARG 27 -17.823 -0.519 -7.942
228 HH22 ARG 27 2HH2 ARG 27 -17.674 1.194 -7.747
229 H GLY 28 H GLY 28 -23.664 -1.335 -12.188
230 HA2 GLY 28 2HA GLY 28 -24.476 -3.780 -10.929
231 HA3 GLY 28 3HA GLY 28 -24.094 -2.525 -9.759
232 H LYS 29 H LYS 29 -26.606 -3.538 -9.799
233 HA LYS 29 HA LYS 29 -28.396 -2.099 -11.477
234 HB2 LYS 29 2HB LYS 29 -30.153 -3.023 -10.113
235 HB3 LYS 29 3HB LYS 29 -28.940 -4.267 -10.382
236 HG2 LYS 29 2HG LYS 29 -28.038 -3.247 -8.069
237 HG3 LYS 29 3HG LYS 29 -29.765 -2.928 -7.891
238 HD2 LYS 29 2HD LYS 29 -29.442 -5.058 -6.953
239 HD3 LYS 29 3HD LYS 29 -30.111 -5.367 -8.557
240 HE2 LYS 29 2HE LYS 29 -28.358 -6.655 -9.000
241 HE3 LYS 29 3HE LYS 29 -27.316 -5.240 -8.860
242 HZ1 LYS 29 3HZ LYS 29 -26.968 -7.343 -7.358
243 HZ2 LYS 29 1HZ LYS 29 -28.144 -6.593 -6.400
244 HZ3 LYS 29 2HZ LYS 29 -26.700 -5.785 -6.753
245 H ALA 30 H ALA 30 -26.859 -1.434 -8.438
246 HA ALA 30 HA ALA 30 -28.622 0.808 -7.857
247 HB1 ALA 30 3HB ALA 30 -26.145 0.037 -6.336
248 HB2 ALA 30 1HB ALA 30 -27.530 0.973 -5.772
249 HB3 ALA 30 2HB ALA 30 -27.702 -0.754 -6.087
Start of MODEL 15
1 H1 MET 1 H MET 1 1.268 2.123 0.972
2 HA MET 1 HA MET 1 1.542 -0.377 -0.564
3 HB2 MET 1 2HB MET 1 0.684 -0.299 1.961
4 HB3 MET 1 3HB MET 1 -0.841 0.062 1.163
5 HG2 MET 1 2HG MET 1 -1.008 -2.191 1.234
6 HG3 MET 1 3HG MET 1 -0.146 -2.033 -0.296
7 HE1 MET 1 3HE MET 1 2.893 -3.788 -0.059
8 HE2 MET 1 1HE MET 1 1.389 -4.708 -0.121
9 HE3 MET 1 2HE MET 1 1.501 -3.147 -0.932
10 H LYS 2 H LYS 2 0.552 -0.430 -2.470
11 HA LYS 2 HA LYS 2 -0.747 1.759 -3.598
12 HB2 LYS 2 2HB LYS 2 -0.630 -1.152 -4.328
13 HB3 LYS 2 3HB LYS 2 -1.614 -0.034 -5.263
14 HG2 LYS 2 2HG LYS 2 0.259 1.206 -5.953
15 HG3 LYS 2 3HG LYS 2 1.302 0.453 -4.743
16 HD2 LYS 2 2HD LYS 2 0.755 -1.750 -5.972
17 HD3 LYS 2 3HD LYS 2 0.223 -0.704 -7.291
18 HE2 LYS 2 2HE LYS 2 2.334 -0.535 -7.955
19 HE3 LYS 2 3HE LYS 2 2.714 0.287 -6.442
20 HZ1 LYS 2 3HZ LYS 2 4.133 -1.456 -6.290
21 HZ2 LYS 2 1HZ LYS 2 3.165 -2.495 -7.210
22 HZ3 LYS 2 2HZ LYS 2 2.781 -2.193 -5.591
23 H THR 3 H THR 3 -2.526 2.613 -2.696
24 HA THR 3 HA THR 3 -4.493 1.325 -1.241
25 HB THR 3 HB THR 3 -5.820 3.399 -2.606
26 HG1 THR 3 HG1 THR 3 -3.286 4.361 -1.812
27 HG21 THR 3 1HG2 THR 3 -5.463 4.618 -0.460
28 HG22 THR 3 2HG2 THR 3 -4.361 3.333 0.036
29 HG23 THR 3 3HG2 THR 3 -6.063 2.973 -0.249
30 H ILE 4 H ILE 4 -4.071 1.521 -4.689
31 HA ILE 4 HA ILE 4 -6.669 0.890 -5.533
32 HB ILE 4 HB ILE 4 -5.654 0.118 -7.619
33 HG12 ILE 4 2HG1 ILE 4 -2.924 0.672 -7.260
34 HG13 ILE 4 3HG1 ILE 4 -3.382 -0.332 -5.888
35 HG21 ILE 4 1HG2 ILE 4 -5.777 2.354 -7.863
36 HG22 ILE 4 2HG2 ILE 4 -4.949 2.670 -6.340
37 HG23 ILE 4 3HG2 ILE 4 -4.018 2.261 -7.781
38 HD11 ILE 4 3HD1 ILE 4 -4.450 -1.873 -7.635
39 HD12 ILE 4 1HD1 ILE 4 -3.483 -0.977 -8.806
40 HD13 ILE 4 2HD1 ILE 4 -2.692 -1.854 -7.495
41 H LEU 5 H LEU 5 -4.163 -1.071 -4.152
42 HA LEU 5 HA LEU 5 -4.892 -3.605 -5.040
43 HB2 LEU 5 2HB LEU 5 -3.827 -2.817 -2.331
44 HB3 LEU 5 3HB LEU 5 -3.827 -4.449 -2.999
45 HG LEU 5 HG LEU 5 -2.348 -2.159 -4.277
46 HD11 LEU 5 1HD1 LEU 5 -0.602 -2.401 -2.904
47 HD12 LEU 5 2HD1 LEU 5 -0.774 -4.155 -2.839
48 HD13 LEU 5 3HD1 LEU 5 -1.761 -3.134 -1.793
49 HD21 LEU 5 3HD2 LEU 5 -2.975 -4.310 -5.536
50 HD22 LEU 5 1HD2 LEU 5 -1.776 -5.093 -4.507
51 HD23 LEU 5 2HD2 LEU 5 -1.293 -3.779 -5.580
52 H ARG 6 H ARG 6 -6.089 -1.754 -2.260
53 HA ARG 6 HA ARG 6 -7.752 -3.675 -1.141
54 HB2 ARG 6 2HB ARG 6 -8.259 -0.698 -1.282
55 HB3 ARG 6 3HB ARG 6 -8.976 -1.818 -0.132
56 HG2 ARG 6 2HG ARG 6 -6.007 -1.478 -0.314
57 HG3 ARG 6 3HG ARG 6 -7.004 -0.373 0.635
58 HD2 ARG 6 2HD ARG 6 -7.003 -3.368 0.970
59 HD3 ARG 6 3HD ARG 6 -6.026 -2.265 1.938
60 HE ARG 6 HE ARG 6 -8.752 -1.505 2.010
61 HH11 ARG 6 1HH1 ARG 6 -6.534 -3.887 3.244
62 HH12 ARG 6 2HH1 ARG 6 -7.451 -4.184 4.684
63 HH21 ARG 6 1HH2 ARG 6 -9.968 -1.887 3.901
64 HH22 ARG 6 2HH2 ARG 6 -9.404 -3.047 5.056
65 H PHE 7 H PHE 7 -8.213 -1.661 -3.955
66 HA PHE 7 HA PHE 7 -11.018 -2.149 -4.213
67 HB2 PHE 7 2HB PHE 7 -8.980 -1.152 -6.213
68 HB3 PHE 7 3HB PHE 7 -10.718 -1.188 -6.494
69 HD1 PHE 7 HD2 PHE 7 -8.101 0.256 -4.305
70 HD2 PHE 7 HD1 PHE 7 -12.086 0.559 -5.770
71 HE1 PHE 7 HE2 PHE 7 -8.311 2.476 -3.265
72 HE2 PHE 7 HE1 PHE 7 -12.302 2.780 -4.734
73 HZ PHE 7 HZ PHE 7 -10.413 3.741 -3.478
74 H VAL 8 H VAL 8 -8.250 -3.234 -6.188
75 HA VAL 8 HA VAL 8 -9.642 -5.117 -7.701
76 HB VAL 8 HB VAL 8 -7.327 -4.285 -8.174
77 HG11 VAL 8 1HG1 VAL 8 -5.442 -5.446 -7.129
78 HG12 VAL 8 2HG1 VAL 8 -6.388 -4.548 -5.941
79 HG13 VAL 8 3HG1 VAL 8 -6.559 -6.300 -6.065
80 HG21 VAL 8 3HG2 VAL 8 -8.302 -6.203 -9.360
81 HG22 VAL 8 1HG2 VAL 8 -6.557 -6.363 -9.173
82 HG23 VAL 8 2HG2 VAL 8 -7.643 -7.286 -8.135
83 H ALA 9 H ALA 9 -8.328 -5.314 -4.478
84 HA ALA 9 HA ALA 9 -8.184 -8.071 -4.129
85 HB1 ALA 9 3HB ALA 9 -8.360 -7.639 -1.751
86 HB2 ALA 9 1HB ALA 9 -7.332 -6.425 -2.514
87 HB3 ALA 9 2HB ALA 9 -8.991 -6.023 -2.068
88 H GLY 10 H GLY 10 -10.940 -5.998 -4.394
89 HA2 GLY 10 2HA GLY 10 -12.762 -7.945 -3.233
90 HA3 GLY 10 3HA GLY 10 -13.194 -6.378 -3.900
91 H TYR 11 H TYR 11 -11.807 -6.808 -6.416
92 HA TYR 11 HA TYR 11 -13.878 -7.843 -7.949
93 HB2 TYR 11 2HB TYR 11 -12.172 -6.390 -8.897
94 HB3 TYR 11 3HB TYR 11 -10.940 -7.619 -8.635
95 HD1 TYR 11 HD1 TYR 11 -14.381 -7.978 -10.021
96 HD2 TYR 11 HD2 TYR 11 -10.196 -8.190 -10.766
97 HE1 TYR 11 HE1 TYR 11 -14.831 -8.899 -12.256
98 HE2 TYR 11 HE2 TYR 11 -10.637 -9.111 -13.004
99 HH TYR 11 HH TYR 11 -12.191 -9.904 -14.396
100 H ASP 12 H ASP 12 -10.821 -9.411 -7.023
101 HA ASP 12 HA ASP 12 -11.223 -11.854 -8.283
102 HB2 ASP 12 2HB ASP 12 -9.157 -10.929 -6.997
103 HB3 ASP 12 3HB ASP 12 -9.897 -11.695 -5.593
104 H ILE 13 H ILE 13 -12.597 -10.591 -5.348
105 HA ILE 13 HA ILE 13 -13.622 -13.155 -4.484
106 HB ILE 13 HB ILE 13 -14.321 -10.418 -3.420
107 HG12 ILE 13 2HG1 ILE 13 -11.894 -10.818 -3.306
108 HG13 ILE 13 3HG1 ILE 13 -12.622 -10.816 -1.703
109 HG21 ILE 13 1HG2 ILE 13 -14.524 -12.154 -1.345
110 HG22 ILE 13 2HG2 ILE 13 -15.872 -11.650 -2.363
111 HG23 ILE 13 3HG2 ILE 13 -15.038 -13.169 -2.694
112 HD11 ILE 13 3HD1 ILE 13 -11.665 -12.767 -1.323
113 HD12 ILE 13 1HD1 ILE 13 -12.672 -13.477 -2.585
114 HD13 ILE 13 2HD1 ILE 13 -11.075 -12.842 -2.984
115 H ALA 14 H ALA 14 -14.800 -10.280 -6.122
116 HA ALA 14 HA ALA 14 -17.559 -10.925 -6.011
117 HB1 ALA 14 3HB ALA 14 -17.901 -9.049 -7.261
118 HB2 ALA 14 1HB ALA 14 -16.286 -8.697 -6.647
119 HB3 ALA 14 2HB ALA 14 -16.490 -9.333 -8.280
120 H SER 15 H SER 15 -14.949 -12.046 -7.963
121 HA SER 15 HA SER 15 -16.179 -12.794 -10.317
122 HB2 SER 15 2HB SER 15 -13.736 -13.016 -9.785
123 HB3 SER 15 3HB SER 15 -14.125 -14.455 -8.842
124 HG SER 15 HG SER 15 -13.482 -14.672 -11.181
125 H HIS 16 H HIS 16 -16.152 -14.475 -7.208
126 HA HIS 16 HA HIS 16 -18.084 -16.413 -8.292
127 HB2 HIS 16 2HB HIS 16 -17.465 -17.735 -6.194
128 HB3 HIS 16 3HB HIS 16 -16.232 -17.611 -7.446
129 HD1 HIS 16 HD1 HIS 16 -14.000 -17.155 -6.514
130 HD2 HIS 16 HD2 HIS 16 -17.003 -15.477 -4.184
131 HE1 HIS 16 HE1 HIS 16 -12.819 -16.052 -4.588
132 H LYS 17 H LYS 17 -17.578 -13.923 -5.944
133 HA LYS 17 HA LYS 17 -19.835 -14.560 -4.301
134 HB2 LYS 17 2HB LYS 17 -17.778 -13.203 -3.629
135 HB3 LYS 17 3HB LYS 17 -18.499 -11.867 -4.518
136 HG2 LYS 17 2HG LYS 17 -20.567 -12.302 -3.031
137 HG3 LYS 17 3HG LYS 17 -19.434 -13.183 -2.004
138 HD2 LYS 17 2HD LYS 17 -18.247 -10.699 -2.721
139 HD3 LYS 17 3HD LYS 17 -19.885 -10.384 -2.144
140 HE2 LYS 17 2HE LYS 17 -18.190 -12.272 -0.594
141 HE3 LYS 17 3HE LYS 17 -17.818 -10.552 -0.492
142 HZ1 LYS 17 3HZ LYS 17 -19.426 -11.477 1.205
143 HZ2 LYS 17 1HZ LYS 17 -20.553 -11.590 -0.052
144 HZ3 LYS 17 2HZ LYS 17 -19.922 -10.084 0.384
145 H LYS 18 H LYS 18 -19.214 -11.826 -6.513
146 HA LYS 18 HA LYS 18 -22.055 -11.884 -7.258
147 HB2 LYS 18 2HB LYS 18 -21.591 -10.106 -5.531
148 HB3 LYS 18 3HB LYS 18 -20.537 -9.331 -6.707
149 HG2 LYS 18 2HG LYS 18 -22.254 -8.513 -7.904
150 HG3 LYS 18 3HG LYS 18 -23.251 -9.948 -7.657
151 HD2 LYS 18 2HD LYS 18 -23.132 -8.893 -5.138
152 HD3 LYS 18 3HD LYS 18 -23.142 -7.442 -6.143
153 HE2 LYS 18 2HE LYS 18 -25.402 -7.876 -5.759
154 HE3 LYS 18 3HE LYS 18 -25.111 -8.542 -7.365
155 HZ1 LYS 18 3HZ LYS 18 -25.386 -10.652 -6.640
156 HZ2 LYS 18 1HZ LYS 18 -26.346 -9.892 -5.472
157 HZ3 LYS 18 2HZ LYS 18 -24.759 -10.345 -5.099
158 H LYS 19 H LYS 19 -21.555 -12.799 -9.244
159 HA LYS 19 HA LYS 19 -19.662 -11.446 -10.992
160 HB2 LYS 19 2HB LYS 19 -20.122 -13.295 -12.553
161 HB3 LYS 19 3HB LYS 19 -19.639 -13.879 -10.967
162 HG2 LYS 19 2HG LYS 19 -21.432 -15.175 -10.988
163 HG3 LYS 19 3HG LYS 19 -22.417 -13.716 -10.856
164 HD2 LYS 19 2HD LYS 19 -23.219 -14.952 -12.731
165 HD3 LYS 19 3HD LYS 19 -22.342 -13.554 -13.359
166 HE2 LYS 19 2HE LYS 19 -20.415 -14.916 -13.836
167 HE3 LYS 19 3HE LYS 19 -21.162 -16.313 -13.061
168 HZ1 LYS 19 3HZ LYS 19 -23.006 -15.863 -14.834
169 HZ2 LYS 19 1HZ LYS 19 -21.615 -16.734 -15.242
170 HZ3 LYS 19 2HZ LYS 19 -21.745 -15.102 -15.666
171 H THR 20 H THR 20 -22.962 -11.333 -10.276
172 HA THR 20 HA THR 20 -23.448 -9.423 -12.362
173 HB THR 20 HB THR 20 -23.809 -11.576 -13.567
174 HG1 THR 20 HG1 THR 20 -26.024 -9.844 -13.127
175 HG21 THR 20 1HG2 THR 20 -26.294 -11.949 -11.934
176 HG22 THR 20 2HG2 THR 20 -24.768 -12.666 -11.418
177 HG23 THR 20 3HG2 THR 20 -25.464 -13.100 -12.978
178 H GLY 21 H GLY 21 -25.054 -8.027 -11.816
179 HA2 GLY 21 2HA GLY 21 -27.320 -8.535 -10.304
180 HA3 GLY 21 3HA GLY 21 -26.060 -8.103 -9.157
181 H GLY 22 H GLY 22 -24.693 -6.121 -10.330
182 HA2 GLY 22 2HA GLY 22 -24.931 -4.000 -11.407
183 HA3 GLY 22 3HA GLY 22 -26.671 -4.128 -11.201
184 H TYR 23 H TYR 23 -24.444 -2.152 -10.369
185 HA TYR 23 HA TYR 23 -25.111 -2.023 -7.507
186 HB2 TYR 23 2HB TYR 23 -22.869 -0.613 -8.965
187 HB3 TYR 23 3HB TYR 23 -23.129 -0.650 -7.225
188 HD1 TYR 23 HD1 TYR 23 -22.237 -2.732 -10.154
189 HD2 TYR 23 HD2 TYR 23 -22.322 -2.445 -5.909
190 HE1 TYR 23 HE1 TYR 23 -20.836 -4.748 -9.995
191 HE2 TYR 23 HE2 TYR 23 -20.921 -4.458 -5.739
192 HH TYR 23 HH TYR 23 -19.089 -5.613 -7.892
193 HA PRO 24 HA PRO 24 -27.487 1.630 -8.024
194 HB2 PRO 24 2HB PRO 24 -26.888 2.994 -5.755
195 HB3 PRO 24 3HB PRO 24 -27.900 1.545 -5.766
196 HG2 PRO 24 2HG PRO 24 -24.996 1.822 -5.091
197 HG3 PRO 24 3HG PRO 24 -26.251 0.877 -4.269
198 HD2 PRO 24 2HD PRO 24 -24.468 -0.239 -5.975
199 HD3 PRO 24 3HD PRO 24 -26.126 -0.849 -5.792
200 H TRP 25 H TRP 25 -24.056 1.971 -7.385
201 HA TRP 25 HA TRP 25 -24.112 4.614 -8.690
202 HB2 TRP 25 2HB TRP 25 -22.451 5.373 -7.303
203 HB3 TRP 25 3HB TRP 25 -23.217 4.216 -6.219
204 HD1 TRP 25 HD1 TRP 25 -19.943 5.016 -7.823
205 HE1 TRP 25 HE1 TRP 25 -18.209 3.207 -7.233
206 HE3 TRP 25 HE3 TRP 25 -23.076 1.518 -5.803
207 HZ2 TRP 25 HZ2 TRP 25 -18.175 0.637 -6.066
208 HZ3 TRP 25 HZ3 TRP 25 -22.113 -0.590 -4.974
209 HH2 TRP 25 HH2 TRP 25 -19.713 -1.019 -5.104
210 H GLU 26 H GLU 26 -22.676 1.435 -8.630
211 HA GLU 26 HA GLU 26 -20.917 2.138 -10.869
212 HB2 GLU 26 2HB GLU 26 -20.738 0.286 -8.657
213 HB3 GLU 26 3HB GLU 26 -20.511 -0.552 -10.186
214 HG2 GLU 26 2HG GLU 26 -18.989 1.799 -10.347
215 HG3 GLU 26 3HG GLU 26 -18.694 1.122 -8.747
216 H ARG 27 H ARG 27 -22.532 2.254 -12.474
217 HA ARG 27 HA ARG 27 -24.421 0.240 -12.997
218 HB2 ARG 27 2HB ARG 27 -24.560 2.524 -13.919
219 HB3 ARG 27 3HB ARG 27 -23.163 2.190 -14.935
220 HG2 ARG 27 2HG ARG 27 -25.375 0.279 -15.204
221 HG3 ARG 27 3HG ARG 27 -25.735 1.927 -15.724
222 HD2 ARG 27 2HD ARG 27 -23.316 0.372 -16.622
223 HD3 ARG 27 3HD ARG 27 -24.836 0.420 -17.515
224 HE ARG 27 HE ARG 27 -22.831 2.453 -17.425
225 HH11 ARG 27 1HH1 ARG 27 -26.244 1.876 -17.789
226 HH12 ARG 27 2HH1 ARG 27 -26.527 3.328 -18.691
227 HH21 ARG 27 1HH2 ARG 27 -23.190 4.368 -18.610
228 HH22 ARG 27 2HH2 ARG 27 -24.788 4.745 -19.158
229 H GLY 28 H GLY 28 -21.047 0.536 -13.794
230 HA2 GLY 28 2HA GLY 28 -20.860 -2.204 -14.538
231 HA3 GLY 28 3HA GLY 28 -20.807 -1.174 -15.962
232 H LYS 29 H LYS 29 -18.712 -1.483 -16.549
233 HA LYS 29 HA LYS 29 -16.586 -1.223 -14.594
234 HB2 LYS 29 2HB LYS 29 -16.682 -1.890 -17.523
235 HB3 LYS 29 3HB LYS 29 -15.155 -1.511 -16.736
236 HG2 LYS 29 2HG LYS 29 -16.900 -3.563 -15.486
237 HG3 LYS 29 3HG LYS 29 -16.029 -3.987 -16.961
238 HD2 LYS 29 2HD LYS 29 -13.951 -3.710 -15.965
239 HD3 LYS 29 3HD LYS 29 -14.592 -2.678 -14.684
240 HE2 LYS 29 2HE LYS 29 -15.645 -4.556 -13.623
241 HE3 LYS 29 3HE LYS 29 -15.228 -5.611 -14.972
242 HZ1 LYS 29 3HZ LYS 29 -13.777 -5.346 -12.721
243 HZ2 LYS 29 1HZ LYS 29 -12.969 -4.288 -13.766
244 HZ3 LYS 29 2HZ LYS 29 -13.169 -5.911 -14.196
245 H ALA 30 H ALA 30 -16.910 0.232 -17.827
246 HA ALA 30 HA ALA 30 -15.779 2.714 -16.727
247 HB1 ALA 30 3HB ALA 30 -15.176 1.219 -19.047
248 HB2 ALA 30 1HB ALA 30 -15.867 2.754 -19.574
249 HB3 ALA 30 2HB ALA 30 -14.460 2.737 -18.509
Start of MODEL 16
1 H1 MET 1 H MET 1 0.978 0.533 0.756
2 HA MET 1 HA MET 1 2.677 0.981 -0.757
3 HB2 MET 1 2HB MET 1 2.512 -1.837 -0.954
4 HB3 MET 1 3HB MET 1 2.453 -1.209 -2.595
5 HG2 MET 1 2HG MET 1 4.480 0.249 -1.687
6 HG3 MET 1 3HG MET 1 4.641 -1.135 -0.608
7 HE1 MET 1 3HE MET 1 4.046 0.070 -4.033
8 HE2 MET 1 1HE MET 1 5.298 -0.698 -5.009
9 HE3 MET 1 2HE MET 1 3.732 -1.484 -4.807
10 H LYS 2 H LYS 2 -0.291 -0.564 -1.890
11 HA LYS 2 HA LYS 2 -0.694 1.681 -3.722
12 HB2 LYS 2 2HB LYS 2 -0.616 -1.224 -4.475
13 HB3 LYS 2 3HB LYS 2 -1.618 -0.098 -5.382
14 HG2 LYS 2 2HG LYS 2 0.884 1.130 -5.173
15 HG3 LYS 2 3HG LYS 2 1.210 -0.565 -5.543
16 HD2 LYS 2 2HD LYS 2 -0.786 -0.106 -7.276
17 HD3 LYS 2 3HD LYS 2 -0.111 1.521 -7.174
18 HE2 LYS 2 2HE LYS 2 1.714 -0.809 -7.573
19 HE3 LYS 2 3HE LYS 2 0.793 -0.185 -8.941
20 HZ1 LYS 2 3HZ LYS 2 1.737 2.063 -8.269
21 HZ2 LYS 2 1HZ LYS 2 2.800 0.968 -9.000
22 HZ3 LYS 2 2HZ LYS 2 2.843 1.199 -7.324
23 H THR 3 H THR 3 -2.456 2.558 -2.816
24 HA THR 3 HA THR 3 -4.417 1.295 -1.329
25 HB THR 3 HB THR 3 -5.642 3.427 -2.802
26 HG1 THR 3 HG1 THR 3 -3.897 4.975 -1.951
27 HG21 THR 3 1HG2 THR 3 -6.134 4.199 -0.717
28 HG22 THR 3 2HG2 THR 3 -4.516 3.877 -0.097
29 HG23 THR 3 3HG2 THR 3 -5.671 2.557 -0.274
30 H ILE 4 H ILE 4 -4.036 1.471 -4.780
31 HA ILE 4 HA ILE 4 -6.654 0.866 -5.584
32 HB ILE 4 HB ILE 4 -5.685 0.098 -7.689
33 HG12 ILE 4 2HG1 ILE 4 -2.940 0.607 -7.374
34 HG13 ILE 4 3HG1 ILE 4 -3.389 -0.396 -5.999
35 HG21 ILE 4 1HG2 ILE 4 -5.042 2.169 -8.383
36 HG22 ILE 4 2HG2 ILE 4 -5.707 2.596 -6.808
37 HG23 ILE 4 3HG2 ILE 4 -3.964 2.417 -7.009
38 HD11 ILE 4 3HD1 ILE 4 -2.736 -1.907 -7.640
39 HD12 ILE 4 1HD1 ILE 4 -4.498 -1.927 -7.714
40 HD13 ILE 4 2HD1 ILE 4 -3.574 -1.026 -8.918
41 H LEU 5 H LEU 5 -4.152 -1.109 -4.227
42 HA LEU 5 HA LEU 5 -4.906 -3.640 -5.111
43 HB2 LEU 5 2HB LEU 5 -3.800 -2.859 -2.417
44 HB3 LEU 5 3HB LEU 5 -3.819 -4.491 -3.085
45 HG LEU 5 HG LEU 5 -2.344 -2.211 -4.386
46 HD11 LEU 5 1HD1 LEU 5 -1.727 -3.159 -1.908
47 HD12 LEU 5 2HD1 LEU 5 -0.571 -2.469 -3.047
48 HD13 LEU 5 3HD1 LEU 5 -0.774 -4.218 -2.949
49 HD21 LEU 5 3HD2 LEU 5 -2.994 -4.353 -5.638
50 HD22 LEU 5 1HD2 LEU 5 -1.803 -5.153 -4.613
51 HD23 LEU 5 2HD2 LEU 5 -1.304 -3.848 -5.690
52 H ARG 6 H ARG 6 -6.052 -1.782 -2.315
53 HA ARG 6 HA ARG 6 -7.713 -3.691 -1.172
54 HB2 ARG 6 2HB ARG 6 -7.759 -0.694 -1.232
55 HB3 ARG 6 3HB ARG 6 -9.083 -1.574 -0.481
56 HG2 ARG 6 2HG ARG 6 -7.570 -2.613 1.078
57 HG3 ARG 6 3HG ARG 6 -6.184 -1.876 0.272
58 HD2 ARG 6 2HD ARG 6 -6.386 -0.171 1.686
59 HD3 ARG 6 3HD ARG 6 -7.881 0.251 0.851
60 HE ARG 6 HE ARG 6 -8.519 -1.696 2.720
61 HH11 ARG 6 1HH1 ARG 6 -7.267 1.552 2.694
62 HH12 ARG 6 2HH1 ARG 6 -7.936 1.962 4.238
63 HH21 ARG 6 1HH2 ARG 6 -9.406 -1.169 4.754
64 HH22 ARG 6 2HH2 ARG 6 -9.152 0.414 5.409
65 H PHE 7 H PHE 7 -8.196 -1.680 -3.984
66 HA PHE 7 HA PHE 7 -11.008 -2.147 -4.202
67 HB2 PHE 7 2HB PHE 7 -8.989 -1.169 -6.231
68 HB3 PHE 7 3HB PHE 7 -10.729 -1.197 -6.492
69 HD1 PHE 7 HD2 PHE 7 -8.081 0.238 -4.336
70 HD2 PHE 7 HD1 PHE 7 -12.078 0.562 -5.761
71 HE1 PHE 7 HE2 PHE 7 -8.265 2.462 -3.302
72 HE2 PHE 7 HE1 PHE 7 -12.270 2.788 -4.729
73 HZ PHE 7 HZ PHE 7 -10.362 3.740 -3.497
74 H VAL 8 H VAL 8 -8.275 -3.259 -6.211
75 HA VAL 8 HA VAL 8 -9.702 -5.136 -7.700
76 HB VAL 8 HB VAL 8 -7.388 -4.324 -8.207
77 HG11 VAL 8 1HG1 VAL 8 -6.417 -4.581 -5.991
78 HG12 VAL 8 2HG1 VAL 8 -6.606 -6.333 -6.098
79 HG13 VAL 8 3HG1 VAL 8 -5.497 -5.496 -7.184
80 HG21 VAL 8 3HG2 VAL 8 -6.630 -6.439 -9.179
81 HG22 VAL 8 1HG2 VAL 8 -7.769 -7.316 -8.156
82 HG23 VAL 8 2HG2 VAL 8 -8.365 -6.217 -9.400
83 H ALA 9 H ALA 9 -8.339 -5.336 -4.497
84 HA ALA 9 HA ALA 9 -8.216 -8.093 -4.143
85 HB1 ALA 9 3HB ALA 9 -9.017 -6.095 -2.036
86 HB2 ALA 9 1HB ALA 9 -8.268 -7.672 -1.788
87 HB3 ALA 9 2HB ALA 9 -7.357 -6.374 -2.559
88 H GLY 10 H GLY 10 -10.956 -5.994 -4.366
89 HA2 GLY 10 2HA GLY 10 -12.781 -7.902 -3.158
90 HA3 GLY 10 3HA GLY 10 -13.207 -6.348 -3.859
91 H TYR 11 H TYR 11 -11.901 -6.806 -6.386
92 HA TYR 11 HA TYR 11 -13.984 -7.885 -7.858
93 HB2 TYR 11 2HB TYR 11 -12.359 -6.468 -8.921
94 HB3 TYR 11 3HB TYR 11 -11.058 -7.598 -8.560
95 HD1 TYR 11 HD1 TYR 11 -14.443 -8.277 -9.959
96 HD2 TYR 11 HD2 TYR 11 -10.245 -8.246 -10.646
97 HE1 TYR 11 HE1 TYR 11 -14.797 -9.370 -12.135
98 HE2 TYR 11 HE2 TYR 11 -10.586 -9.338 -12.823
99 HH TYR 11 HH TYR 11 -13.546 -9.530 -14.339
100 H ASP 12 H ASP 12 -10.946 -9.435 -6.864
101 HA ASP 12 HA ASP 12 -11.335 -11.902 -8.099
102 HB2 ASP 12 2HB ASP 12 -9.300 -10.901 -6.745
103 HB3 ASP 12 3HB ASP 12 -10.033 -11.786 -5.410
104 H ILE 13 H ILE 13 -12.738 -10.572 -5.210
105 HA ILE 13 HA ILE 13 -13.757 -13.121 -4.288
106 HB ILE 13 HB ILE 13 -14.498 -10.371 -3.291
107 HG12 ILE 13 2HG1 ILE 13 -12.072 -10.661 -3.165
108 HG13 ILE 13 3HG1 ILE 13 -12.782 -10.715 -1.556
109 HG21 ILE 13 1HG2 ILE 13 -16.048 -12.016 -2.542
110 HG22 ILE 13 2HG2 ILE 13 -14.751 -13.134 -2.123
111 HG23 ILE 13 3HG2 ILE 13 -14.974 -11.653 -1.191
112 HD11 ILE 13 3HD1 ILE 13 -12.607 -13.130 -1.537
113 HD12 ILE 13 1HD1 ILE 13 -11.963 -13.113 -3.178
114 HD13 ILE 13 2HD1 ILE 13 -11.037 -12.397 -1.860
115 H ALA 14 H ALA 14 -14.953 -10.260 -5.953
116 HA ALA 14 HA ALA 14 -17.701 -11.033 -5.889
117 HB1 ALA 14 3HB ALA 14 -16.115 -8.909 -7.229
118 HB2 ALA 14 1HB ALA 14 -17.703 -9.300 -7.891
119 HB3 ALA 14 2HB ALA 14 -17.550 -8.782 -6.211
120 H SER 15 H SER 15 -15.001 -11.771 -7.930
121 HA SER 15 HA SER 15 -16.268 -12.468 -10.306
122 HB2 SER 15 2HB SER 15 -13.807 -13.629 -8.989
123 HB3 SER 15 3HB SER 15 -14.315 -14.032 -10.629
124 HG SER 15 HG SER 15 -14.323 -11.560 -10.808
125 H HIS 16 H HIS 16 -16.116 -14.138 -7.257
126 HA HIS 16 HA HIS 16 -17.394 -16.505 -8.431
127 HB2 HIS 16 2HB HIS 16 -16.138 -16.072 -5.714
128 HB3 HIS 16 3HB HIS 16 -16.926 -17.563 -6.219
129 HD1 HIS 16 HD1 HIS 16 -14.241 -18.182 -5.499
130 HD2 HIS 16 HD2 HIS 16 -15.030 -16.512 -9.220
131 HE1 HIS 16 HE1 HIS 16 -12.250 -18.750 -6.926
132 H LYS 17 H LYS 17 -17.886 -13.898 -6.149
133 HA LYS 17 HA LYS 17 -20.360 -14.937 -5.121
134 HB2 LYS 17 2HB LYS 17 -19.053 -12.222 -4.909
135 HB3 LYS 17 3HB LYS 17 -20.564 -12.640 -4.112
136 HG2 LYS 17 2HG LYS 17 -18.406 -14.534 -3.593
137 HG3 LYS 17 3HG LYS 17 -18.073 -12.895 -3.027
138 HD2 LYS 17 2HD LYS 17 -20.775 -13.906 -2.438
139 HD3 LYS 17 3HD LYS 17 -19.460 -14.748 -1.617
140 HE2 LYS 17 2HE LYS 17 -18.821 -12.880 -0.436
141 HE3 LYS 17 3HE LYS 17 -19.476 -11.767 -1.638
142 HZ1 LYS 17 3HZ LYS 17 -21.728 -12.760 -0.877
143 HZ2 LYS 17 1HZ LYS 17 -20.977 -11.577 0.072
144 HZ3 LYS 17 2HZ LYS 17 -20.874 -13.207 0.513
145 H LYS 18 H LYS 18 -19.791 -11.826 -6.755
146 HA LYS 18 HA LYS 18 -21.635 -12.304 -8.852
147 HB2 LYS 18 2HB LYS 18 -22.971 -11.875 -6.555
148 HB3 LYS 18 3HB LYS 18 -22.743 -10.208 -7.070
149 HG2 LYS 18 2HG LYS 18 -24.646 -10.531 -8.196
150 HG3 LYS 18 3HG LYS 18 -23.614 -11.350 -9.371
151 HD2 LYS 18 2HD LYS 18 -24.183 -13.272 -7.426
152 HD3 LYS 18 3HD LYS 18 -25.707 -12.424 -7.697
153 HE2 LYS 18 2HE LYS 18 -24.147 -13.167 -10.099
154 HE3 LYS 18 3HE LYS 18 -24.888 -14.488 -9.196
155 HZ1 LYS 18 3HZ LYS 18 -26.770 -14.008 -10.232
156 HZ2 LYS 18 1HZ LYS 18 -26.105 -12.626 -10.945
157 HZ3 LYS 18 2HZ LYS 18 -26.819 -12.527 -9.416
158 H LYS 19 H LYS 19 -21.269 -10.896 -10.466
159 HA LYS 19 HA LYS 19 -20.162 -8.261 -9.866
160 HB2 LYS 19 2HB LYS 19 -18.198 -9.678 -10.171
161 HB3 LYS 19 3HB LYS 19 -18.831 -10.258 -11.706
162 HG2 LYS 19 2HG LYS 19 -17.120 -8.610 -12.095
163 HG3 LYS 19 3HG LYS 19 -18.684 -7.974 -12.607
164 HD2 LYS 19 2HD LYS 19 -18.864 -6.693 -10.551
165 HD3 LYS 19 3HD LYS 19 -17.346 -7.380 -9.966
166 HE2 LYS 19 2HE LYS 19 -17.048 -6.196 -12.590
167 HE3 LYS 19 3HE LYS 19 -17.667 -5.033 -11.420
168 HZ1 LYS 19 3HZ LYS 19 -15.045 -6.087 -11.680
169 HZ2 LYS 19 1HZ LYS 19 -15.648 -6.383 -10.127
170 HZ3 LYS 19 2HZ LYS 19 -15.589 -4.802 -10.724
171 H THR 20 H THR 20 -21.393 -6.855 -10.907
172 HA THR 20 HA THR 20 -22.521 -7.629 -13.519
173 HB THR 20 HB THR 20 -24.200 -7.234 -11.710
174 HG1 THR 20 HG1 THR 20 -24.495 -5.178 -13.616
175 HG21 THR 20 1HG2 THR 20 -22.952 -5.432 -10.551
176 HG22 THR 20 2HG2 THR 20 -24.615 -4.980 -10.929
177 HG23 THR 20 3HG2 THR 20 -23.287 -4.363 -11.911
178 H GLY 21 H GLY 21 -19.918 -6.243 -12.723
179 HA2 GLY 21 2HA GLY 21 -18.584 -4.733 -13.862
180 HA3 GLY 21 3HA GLY 21 -19.972 -4.311 -14.854
181 H GLY 22 H GLY 22 -21.531 -2.797 -13.987
182 HA2 GLY 22 2HA GLY 22 -22.196 -1.136 -12.426
183 HA3 GLY 22 3HA GLY 22 -20.595 -1.210 -11.707
184 H TYR 23 H TYR 23 -20.994 -1.021 -15.158
185 HA TYR 23 HA TYR 23 -19.619 1.543 -15.150
186 HB2 TYR 23 2HB TYR 23 -20.402 -0.194 -17.497
187 HB3 TYR 23 3HB TYR 23 -19.296 1.175 -17.529
188 HD1 TYR 23 HD2 TYR 23 -19.746 -2.266 -16.234
189 HD2 TYR 23 HD1 TYR 23 -17.012 0.907 -16.978
190 HE1 TYR 23 HE2 TYR 23 -17.868 -3.781 -15.760
191 HE2 TYR 23 HE1 TYR 23 -15.125 -0.599 -16.507
192 HH TYR 23 HH TYR 23 -15.258 -3.776 -16.546
193 HA PRO 24 HA PRO 24 -23.092 4.055 -16.090
194 HB2 PRO 24 2HB PRO 24 -22.002 5.881 -17.779
195 HB3 PRO 24 3HB PRO 24 -21.661 5.852 -16.046
196 HG2 PRO 24 2HG PRO 24 -20.030 4.778 -18.313
197 HG3 PRO 24 3HG PRO 24 -19.500 5.687 -16.886
198 HD2 PRO 24 2HD PRO 24 -19.257 2.996 -17.074
199 HD3 PRO 24 3HD PRO 24 -19.542 3.823 -15.530
200 H TRP 25 H TRP 25 -21.283 2.679 -18.759
201 HA TRP 25 HA TRP 25 -23.688 2.886 -20.450
202 HB2 TRP 25 2HB TRP 25 -22.391 3.215 -22.315
203 HB3 TRP 25 3HB TRP 25 -21.349 3.955 -21.103
204 HD1 TRP 25 HD1 TRP 25 -21.402 1.254 -23.681
205 HE1 TRP 25 HE1 TRP 25 -19.188 -0.059 -23.624
206 HE3 TRP 25 HE3 TRP 25 -19.488 3.079 -19.305
207 HZ2 TRP 25 HZ2 TRP 25 -16.930 -0.290 -21.947
208 HZ3 TRP 25 HZ3 TRP 25 -17.296 2.261 -18.545
209 HH2 TRP 25 HH2 TRP 25 -16.045 0.611 -19.839
210 H GLU 26 H GLU 26 -21.217 0.785 -19.159
211 HA GLU 26 HA GLU 26 -22.331 -1.513 -20.590
212 HB2 GLU 26 2HB GLU 26 -19.724 -0.815 -19.601
213 HB3 GLU 26 3HB GLU 26 -20.236 -2.338 -18.886
214 HG2 GLU 26 2HG GLU 26 -20.887 -2.492 -21.611
215 HG3 GLU 26 3HG GLU 26 -19.266 -1.807 -21.522
216 H ARG 27 H ARG 27 -23.642 -0.059 -18.318
217 HA ARG 27 HA ARG 27 -23.557 -1.424 -15.924
218 HB2 ARG 27 2HB ARG 27 -24.853 0.571 -16.075
219 HB3 ARG 27 3HB ARG 27 -25.868 -0.106 -17.343
220 HG2 ARG 27 2HG ARG 27 -27.002 0.003 -15.168
221 HG3 ARG 27 3HG ARG 27 -26.866 -1.646 -15.780
222 HD2 ARG 27 2HD ARG 27 -25.013 -2.090 -14.307
223 HD3 ARG 27 3HD ARG 27 -24.983 -0.408 -13.778
224 HE ARG 27 HE ARG 27 -27.485 -1.757 -13.303
225 HH11 ARG 27 1HH1 ARG 27 -24.323 -1.020 -12.048
226 HH12 ARG 27 2HH1 ARG 27 -24.783 -1.250 -10.394
227 HH21 ARG 27 1HH2 ARG 27 -28.103 -2.062 -11.129
228 HH22 ARG 27 2HH2 ARG 27 -26.932 -1.844 -9.873
229 H GLY 28 H GLY 28 -26.257 -1.929 -18.184
230 HA2 GLY 28 2HA GLY 28 -25.873 -4.775 -18.264
231 HA3 GLY 28 3HA GLY 28 -27.186 -4.302 -17.194
232 H LYS 29 H LYS 29 -26.357 -5.098 -20.334
233 HA LYS 29 HA LYS 29 -28.581 -3.650 -21.552
234 HB2 LYS 29 2HB LYS 29 -27.723 -4.437 -23.671
235 HB3 LYS 29 3HB LYS 29 -26.400 -3.767 -22.726
236 HG2 LYS 29 2HG LYS 29 -25.775 -6.072 -22.059
237 HG3 LYS 29 3HG LYS 29 -27.026 -6.681 -23.144
238 HD2 LYS 29 2HD LYS 29 -25.880 -6.033 -25.042
239 HD3 LYS 29 3HD LYS 29 -24.966 -4.786 -24.190
240 HE2 LYS 29 2HE LYS 29 -24.595 -7.756 -23.816
241 HE3 LYS 29 3HE LYS 29 -23.591 -6.740 -24.850
242 HZ1 LYS 29 3HZ LYS 29 -23.200 -7.246 -22.186
243 HZ2 LYS 29 1HZ LYS 29 -23.811 -5.669 -22.219
244 HZ3 LYS 29 2HZ LYS 29 -22.425 -6.057 -23.106
245 H ALA 30 H ALA 30 -27.706 -6.826 -20.457
246 HA ALA 30 HA ALA 30 -29.732 -8.250 -21.876
247 HB1 ALA 30 3HB ALA 30 -28.880 -9.494 -19.393
248 HB2 ALA 30 1HB ALA 30 -28.717 -10.058 -21.058
249 HB3 ALA 30 2HB ALA 30 -27.522 -8.952 -20.380
Start of MODEL 17
1 H1 MET 1 H MET 1 0.124 -1.214 0.130
2 HA MET 1 HA MET 1 1.463 0.863 0.384
3 HB2 MET 1 2HB MET 1 3.204 1.211 -1.386
4 HB3 MET 1 3HB MET 1 3.592 -0.049 -0.222
5 HG2 MET 1 2HG MET 1 2.202 -1.230 -2.401
6 HG3 MET 1 3HG MET 1 3.498 -0.220 -3.036
7 HE1 MET 1 3HE MET 1 2.865 -3.104 -3.297
8 HE2 MET 1 1HE MET 1 4.426 -3.922 -3.222
9 HE3 MET 1 2HE MET 1 3.249 -4.151 -1.929
10 H LYS 2 H LYS 2 0.236 -0.900 -2.377
11 HA LYS 2 HA LYS 2 -0.601 1.556 -3.708
12 HB2 LYS 2 2HB LYS 2 -0.579 -1.347 -4.473
13 HB3 LYS 2 3HB LYS 2 -1.561 -0.199 -5.372
14 HG2 LYS 2 2HG LYS 2 1.163 0.731 -4.990
15 HG3 LYS 2 3HG LYS 2 1.079 -0.809 -5.848
16 HD2 LYS 2 2HD LYS 2 -0.064 0.089 -7.626
17 HD3 LYS 2 3HD LYS 2 -0.768 1.386 -6.658
18 HE2 LYS 2 2HE LYS 2 1.263 2.606 -6.656
19 HE3 LYS 2 3HE LYS 2 2.169 1.234 -7.292
20 HZ1 LYS 2 3HZ LYS 2 1.663 1.803 -9.364
21 HZ2 LYS 2 1HZ LYS 2 1.091 3.274 -8.753
22 HZ3 LYS 2 2HZ LYS 2 0.019 1.991 -9.011
23 H THR 3 H THR 3 -2.345 2.463 -2.798
24 HA THR 3 HA THR 3 -4.329 1.234 -1.313
25 HB THR 3 HB THR 3 -5.595 3.356 -2.679
26 HG1 THR 3 HG1 THR 3 -4.071 4.827 -2.998
27 HG21 THR 3 1HG2 THR 3 -6.076 3.369 -0.464
28 HG22 THR 3 2HG2 THR 3 -4.726 4.503 -0.402
29 HG23 THR 3 3HG2 THR 3 -4.471 2.804 -0.002
30 H ILE 4 H ILE 4 -3.947 1.413 -4.765
31 HA ILE 4 HA ILE 4 -6.578 0.860 -5.566
32 HB ILE 4 HB ILE 4 -5.626 0.081 -7.675
33 HG12 ILE 4 2HG1 ILE 4 -2.872 0.538 -7.363
34 HG13 ILE 4 3HG1 ILE 4 -3.338 -0.462 -5.991
35 HG21 ILE 4 1HG2 ILE 4 -4.563 2.113 -8.337
36 HG22 ILE 4 2HG2 ILE 4 -5.775 2.514 -7.121
37 HG23 ILE 4 3HG2 ILE 4 -4.068 2.458 -6.680
38 HD11 ILE 4 3HD1 ILE 4 -4.471 -1.972 -7.699
39 HD12 ILE 4 1HD1 ILE 4 -3.559 -1.076 -8.914
40 HD13 ILE 4 2HD1 ILE 4 -2.707 -1.969 -7.654
41 H LEU 5 H LEU 5 -4.113 -1.165 -4.217
42 HA LEU 5 HA LEU 5 -4.916 -3.679 -5.109
43 HB2 LEU 5 2HB LEU 5 -3.789 -2.928 -2.415
44 HB3 LEU 5 3HB LEU 5 -3.841 -4.556 -3.088
45 HG LEU 5 HG LEU 5 -2.325 -2.301 -4.385
46 HD11 LEU 5 1HD1 LEU 5 -1.723 -3.286 -1.910
47 HD12 LEU 5 2HD1 LEU 5 -0.563 -2.586 -3.039
48 HD13 LEU 5 3HD1 LEU 5 -0.779 -4.335 -2.968
49 HD21 LEU 5 3HD2 LEU 5 -3.016 -4.424 -5.643
50 HD22 LEU 5 1HD2 LEU 5 -1.842 -5.252 -4.623
51 HD23 LEU 5 2HD2 LEU 5 -1.317 -3.953 -5.694
52 H ARG 6 H ARG 6 -6.020 -1.808 -2.305
53 HA ARG 6 HA ARG 6 -7.714 -3.689 -1.165
54 HB2 ARG 6 2HB ARG 6 -7.794 -0.684 -1.244
55 HB3 ARG 6 3HB ARG 6 -9.024 -1.608 -0.394
56 HG2 ARG 6 2HG ARG 6 -7.661 -2.087 1.316
57 HG3 ARG 6 3HG ARG 6 -6.272 -2.363 0.262
58 HD2 ARG 6 2HD ARG 6 -5.541 -0.461 1.250
59 HD3 ARG 6 3HD ARG 6 -6.505 0.284 -0.023
60 HE ARG 6 HE ARG 6 -7.963 1.040 1.571
61 HH11 ARG 6 1HH1 ARG 6 -5.935 -1.428 2.955
62 HH12 ARG 6 2HH1 ARG 6 -6.499 -1.168 4.572
63 HH21 ARG 6 1HH2 ARG 6 -8.714 1.391 3.697
64 HH22 ARG 6 2HH2 ARG 6 -8.080 0.435 4.992
65 H PHE 7 H PHE 7 -8.165 -1.663 -3.971
66 HA PHE 7 HA PHE 7 -10.986 -2.075 -4.186
67 HB2 PHE 7 2HB PHE 7 -8.950 -1.131 -6.214
68 HB3 PHE 7 3HB PHE 7 -10.692 -1.126 -6.474
69 HD1 PHE 7 HD2 PHE 7 -8.014 0.256 -4.318
70 HD2 PHE 7 HD1 PHE 7 -12.009 0.654 -5.734
71 HE1 PHE 7 HE2 PHE 7 -8.158 2.481 -3.278
72 HE2 PHE 7 HE1 PHE 7 -12.158 2.880 -4.697
73 HZ PHE 7 HZ PHE 7 -10.232 3.797 -3.466
74 H VAL 8 H VAL 8 -8.278 -3.235 -6.202
75 HA VAL 8 HA VAL 8 -9.743 -5.079 -7.693
76 HB VAL 8 HB VAL 8 -7.415 -4.310 -8.204
77 HG11 VAL 8 1HG1 VAL 8 -6.445 -4.591 -5.989
78 HG12 VAL 8 2HG1 VAL 8 -6.667 -6.337 -6.098
79 HG13 VAL 8 3HG1 VAL 8 -5.544 -5.521 -7.186
80 HG21 VAL 8 3HG2 VAL 8 -8.555 -6.300 -9.258
81 HG22 VAL 8 1HG2 VAL 8 -6.792 -6.303 -9.327
82 HG23 VAL 8 2HG2 VAL 8 -7.630 -7.313 -8.148
83 H ALA 9 H ALA 9 -8.376 -5.314 -4.493
84 HA ALA 9 HA ALA 9 -8.306 -8.075 -4.148
85 HB1 ALA 9 3HB ALA 9 -7.325 -6.952 -2.406
86 HB2 ALA 9 1HB ALA 9 -8.619 -5.758 -2.302
87 HB3 ALA 9 2HB ALA 9 -8.871 -7.388 -1.677
88 H GLY 10 H GLY 10 -11.005 -5.921 -4.359
89 HA2 GLY 10 2HA GLY 10 -12.860 -7.819 -3.167
90 HA3 GLY 10 3HA GLY 10 -13.260 -6.236 -3.818
91 H TYR 11 H TYR 11 -11.744 -6.918 -6.325
92 HA TYR 11 HA TYR 11 -13.939 -7.816 -7.844
93 HB2 TYR 11 2HB TYR 11 -12.265 -6.422 -8.869
94 HB3 TYR 11 3HB TYR 11 -11.004 -7.602 -8.529
95 HD1 TYR 11 HD2 TYR 11 -14.407 -7.993 -10.017
96 HD2 TYR 11 HD1 TYR 11 -10.205 -8.376 -10.561
97 HE1 TYR 11 HE2 TYR 11 -14.792 -9.030 -12.213
98 HE2 TYR 11 HE1 TYR 11 -10.578 -9.413 -12.760
99 HH TYR 11 HH TYR 11 -12.336 -9.461 -14.497
100 H ASP 12 H ASP 12 -10.930 -9.454 -6.894
101 HA ASP 12 HA ASP 12 -11.399 -11.895 -8.154
102 HB2 ASP 12 2HB ASP 12 -9.300 -11.002 -6.883
103 HB3 ASP 12 3HB ASP 12 -10.041 -11.769 -5.481
104 H ILE 13 H ILE 13 -12.720 -10.570 -5.225
105 HA ILE 13 HA ILE 13 -13.781 -13.097 -4.304
106 HB ILE 13 HB ILE 13 -14.474 -10.335 -3.304
107 HG12 ILE 13 2HG1 ILE 13 -12.048 -10.675 -3.201
108 HG13 ILE 13 3HG1 ILE 13 -12.751 -10.693 -1.586
109 HG21 ILE 13 1HG2 ILE 13 -16.041 -11.980 -2.558
110 HG22 ILE 13 2HG2 ILE 13 -14.745 -13.087 -2.110
111 HG23 ILE 13 3HG2 ILE 13 -14.978 -11.590 -1.208
112 HD11 ILE 13 3HD1 ILE 13 -11.066 -12.412 -1.819
113 HD12 ILE 13 1HD1 ILE 13 -12.657 -13.134 -1.582
114 HD13 ILE 13 2HD1 ILE 13 -11.933 -13.103 -3.190
115 H ALA 14 H ALA 14 -14.899 -10.295 -6.080
116 HA ALA 14 HA ALA 14 -17.678 -10.972 -5.948
117 HB1 ALA 14 3HB ALA 14 -16.736 -9.276 -8.169
118 HB2 ALA 14 1HB ALA 14 -18.044 -9.018 -7.015
119 HB3 ALA 14 2HB ALA 14 -16.375 -8.698 -6.543
120 H SER 15 H SER 15 -15.012 -11.850 -7.981
121 HA SER 15 HA SER 15 -16.319 -12.596 -10.322
122 HB2 SER 15 2HB SER 15 -13.842 -13.666 -8.972
123 HB3 SER 15 3HB SER 15 -14.400 -14.285 -10.526
124 HG SER 15 HG SER 15 -14.074 -11.519 -10.138
125 H HIS 16 H HIS 16 -15.605 -14.566 -7.444
126 HA HIS 16 HA HIS 16 -17.142 -16.790 -8.460
127 HB2 HIS 16 2HB HIS 16 -16.514 -17.925 -6.418
128 HB3 HIS 16 3HB HIS 16 -15.098 -17.113 -7.079
129 HD1 HIS 16 HD1 HIS 16 -17.586 -16.852 -4.265
130 HD2 HIS 16 HD2 HIS 16 -13.959 -15.204 -5.443
131 HE1 HIS 16 HE1 HIS 16 -16.779 -15.520 -2.289
132 H LYS 17 H LYS 17 -17.561 -14.178 -6.162
133 HA LYS 17 HA LYS 17 -19.792 -15.068 -4.769
134 HB2 LYS 17 2HB LYS 17 -18.474 -13.001 -4.275
135 HB3 LYS 17 3HB LYS 17 -19.263 -12.223 -5.641
136 HG2 LYS 17 2HG LYS 17 -21.086 -11.770 -4.454
137 HG3 LYS 17 3HG LYS 17 -21.170 -13.410 -3.807
138 HD2 LYS 17 2HD LYS 17 -20.788 -12.236 -1.879
139 HD3 LYS 17 3HD LYS 17 -19.126 -12.581 -2.363
140 HE2 LYS 17 2HE LYS 17 -19.344 -10.309 -3.640
141 HE3 LYS 17 3HE LYS 17 -20.656 -10.019 -2.499
142 HZ1 LYS 17 3HZ LYS 17 -19.052 -9.286 -1.157
143 HZ2 LYS 17 1HZ LYS 17 -17.815 -9.999 -2.065
144 HZ3 LYS 17 2HZ LYS 17 -18.654 -10.912 -0.915
145 H LYS 18 H LYS 18 -19.583 -13.481 -7.916
146 HA LYS 18 HA LYS 18 -22.072 -14.603 -8.751
147 HB2 LYS 18 2HB LYS 18 -22.233 -12.137 -7.412
148 HB3 LYS 18 3HB LYS 18 -22.405 -11.758 -9.121
149 HG2 LYS 18 2HG LYS 18 -24.561 -12.228 -8.817
150 HG3 LYS 18 3HG LYS 18 -24.053 -13.919 -8.850
151 HD2 LYS 18 2HD LYS 18 -23.584 -13.131 -6.237
152 HD3 LYS 18 3HD LYS 18 -25.102 -12.333 -6.654
153 HE2 LYS 18 2HE LYS 18 -25.703 -14.697 -7.629
154 HE3 LYS 18 3HE LYS 18 -24.455 -15.241 -6.509
155 HZ1 LYS 18 3HZ LYS 18 -26.888 -15.125 -5.717
156 HZ2 LYS 18 1HZ LYS 18 -26.608 -13.463 -5.572
157 HZ3 LYS 18 2HZ LYS 18 -25.671 -14.559 -4.688
158 H LYS 19 H LYS 19 -22.278 -14.609 -10.957
159 HA LYS 19 HA LYS 19 -21.073 -12.835 -12.747
160 HB2 LYS 19 2HB LYS 19 -19.195 -14.571 -11.596
161 HB3 LYS 19 3HB LYS 19 -19.507 -15.226 -13.198
162 HG2 LYS 19 2HG LYS 19 -18.881 -12.325 -12.787
163 HG3 LYS 19 3HG LYS 19 -17.609 -13.539 -12.943
164 HD2 LYS 19 2HD LYS 19 -17.844 -13.574 -15.155
165 HD3 LYS 19 3HD LYS 19 -19.574 -13.893 -15.010
166 HE2 LYS 19 2HE LYS 19 -19.085 -11.829 -16.270
167 HE3 LYS 19 3HE LYS 19 -20.034 -11.530 -14.814
168 HZ1 LYS 19 3HZ LYS 19 -18.273 -10.525 -13.764
169 HZ2 LYS 19 1HZ LYS 19 -18.012 -10.034 -15.363
170 HZ3 LYS 19 2HZ LYS 19 -17.104 -11.302 -14.707
171 H THR 20 H THR 20 -21.787 -13.191 -14.799
172 HA THR 20 HA THR 20 -22.838 -15.811 -15.529
173 HB THR 20 HB THR 20 -25.014 -15.020 -16.160
174 HG1 THR 20 HG1 THR 20 -24.045 -12.466 -15.351
175 HG21 THR 20 1HG2 THR 20 -24.355 -14.016 -13.388
176 HG22 THR 20 2HG2 THR 20 -24.746 -15.682 -13.812
177 HG23 THR 20 3HG2 THR 20 -25.962 -14.419 -13.989
178 H GLY 21 H GLY 21 -24.086 -15.250 -17.858
179 HA2 GLY 21 2HA GLY 21 -22.225 -13.602 -19.428
180 HA3 GLY 21 3HA GLY 21 -22.463 -15.283 -19.879
181 H GLY 22 H GLY 22 -24.158 -12.204 -19.426
182 HA2 GLY 22 2HA GLY 22 -25.607 -11.287 -21.068
183 HA3 GLY 22 3HA GLY 22 -25.857 -12.904 -21.710
184 H TYR 23 H TYR 23 -27.250 -10.453 -19.974
185 HA TYR 23 HA TYR 23 -28.920 -12.181 -18.322
186 HB2 TYR 23 2HB TYR 23 -28.979 -9.170 -18.590
187 HB3 TYR 23 3HB TYR 23 -29.791 -10.129 -17.359
188 HD1 TYR 23 HD1 TYR 23 -26.470 -9.069 -18.607
189 HD2 TYR 23 HD2 TYR 23 -28.654 -10.810 -15.397
190 HE1 TYR 23 HE1 TYR 23 -24.487 -8.880 -17.163
191 HE2 TYR 23 HE2 TYR 23 -26.678 -10.625 -13.945
192 HH TYR 23 HH TYR 23 -24.011 -10.515 -14.473
193 HA PRO 24 HA PRO 24 -32.374 -12.295 -21.027
194 HB2 PRO 24 2HB PRO 24 -34.444 -12.193 -19.273
195 HB3 PRO 24 3HB PRO 24 -33.413 -13.617 -19.461
196 HG2 PRO 24 2HG PRO 24 -33.308 -11.465 -17.383
197 HG3 PRO 24 3HG PRO 24 -33.142 -13.220 -17.186
198 HD2 PRO 24 2HD PRO 24 -31.010 -11.553 -17.234
199 HD3 PRO 24 3HD PRO 24 -30.937 -13.214 -17.855
200 H TRP 25 H TRP 25 -32.190 -9.680 -18.700
201 HA TRP 25 HA TRP 25 -33.896 -8.041 -20.458
202 HB2 TRP 25 2HB TRP 25 -34.806 -6.977 -18.641
203 HB3 TRP 25 3HB TRP 25 -34.468 -8.543 -17.910
204 HD1 TRP 25 HD1 TRP 25 -33.702 -4.906 -17.553
205 HE1 TRP 25 HE1 TRP 25 -32.017 -4.546 -15.641
206 HE3 TRP 25 HE3 TRP 25 -32.293 -9.762 -16.788
207 HZ2 TRP 25 HZ2 TRP 25 -30.317 -6.113 -14.022
208 HZ3 TRP 25 HZ3 TRP 25 -30.632 -10.245 -15.038
209 HH2 TRP 25 HH2 TRP 25 -29.665 -8.458 -13.685
210 H GLU 26 H GLU 26 -30.856 -8.280 -18.764
211 HA GLU 26 HA GLU 26 -30.059 -5.628 -19.726
212 HB2 GLU 26 2HB GLU 26 -29.417 -7.214 -17.396
213 HB3 GLU 26 3HB GLU 26 -27.952 -6.744 -18.248
214 HG2 GLU 26 2HG GLU 26 -29.567 -4.454 -18.150
215 HG3 GLU 26 3HG GLU 26 -29.643 -5.185 -16.548
216 H ARG 27 H ARG 27 -29.796 -6.188 -21.919
217 HA ARG 27 HA ARG 27 -27.719 -8.155 -22.542
218 HB2 ARG 27 2HB ARG 27 -30.008 -8.072 -23.718
219 HB3 ARG 27 3HB ARG 27 -29.380 -6.658 -24.554
220 HG2 ARG 27 2HG ARG 27 -27.544 -8.904 -24.647
221 HG3 ARG 27 3HG ARG 27 -29.117 -9.277 -25.353
222 HD2 ARG 27 2HD ARG 27 -27.384 -6.912 -26.064
223 HD3 ARG 27 3HD ARG 27 -27.546 -8.387 -27.016
224 HE ARG 27 HE ARG 27 -29.389 -6.193 -26.900
225 HH11 ARG 27 1HH1 ARG 27 -29.061 -9.606 -27.502
226 HH12 ARG 27 2HH1 ARG 27 -30.470 -9.696 -28.506
227 HH21 ARG 27 1HH2 ARG 27 -31.246 -6.299 -28.220
228 HH22 ARG 27 2HH2 ARG 27 -31.712 -7.814 -28.915
229 H GLY 28 H GLY 28 -28.354 -4.743 -22.537
230 HA2 GLY 28 2HA GLY 28 -25.565 -4.227 -23.164
231 HA3 GLY 28 3HA GLY 28 -26.724 -3.585 -24.318
232 H LYS 29 H LYS 29 -24.848 -2.661 -21.890
233 HA LYS 29 HA LYS 29 -26.773 -0.965 -20.510
234 HB2 LYS 29 2HB LYS 29 -24.997 -0.428 -18.995
235 HB3 LYS 29 3HB LYS 29 -24.961 -2.166 -19.266
236 HG2 LYS 29 2HG LYS 29 -23.129 -1.859 -20.874
237 HG3 LYS 29 3HG LYS 29 -23.146 -0.127 -20.538
238 HD2 LYS 29 2HD LYS 29 -22.808 -0.802 -18.084
239 HD3 LYS 29 3HD LYS 29 -22.370 -2.389 -18.722
240 HE2 LYS 29 2HE LYS 29 -20.309 -1.631 -19.051
241 HE3 LYS 29 3HE LYS 29 -20.952 -0.517 -20.256
242 HZ1 LYS 29 3HZ LYS 29 -19.615 0.359 -18.212
243 HZ2 LYS 29 1HZ LYS 29 -21.107 0.231 -17.425
244 HZ3 LYS 29 2HZ LYS 29 -20.953 1.217 -18.791
245 H ALA 30 H ALA 30 -24.315 -0.787 -22.955
246 HA ALA 30 HA ALA 30 -24.031 2.068 -22.881
247 HB1 ALA 30 3HB ALA 30 -22.927 1.623 -25.165
248 HB2 ALA 30 1HB ALA 30 -22.151 0.984 -23.715
249 HB3 ALA 30 2HB ALA 30 -23.103 -0.082 -24.750
Start of MODEL 18
1 H1 MET 1 H MET 1 3.243 1.431 -0.399
2 HA MET 1 HA MET 1 2.372 -0.585 -1.296
3 HB2 MET 1 2HB MET 1 1.209 -0.635 1.319
4 HB3 MET 1 3HB MET 1 -0.059 -0.902 0.131
5 HG2 MET 1 2HG MET 1 0.929 -2.841 -0.676
6 HG3 MET 1 3HG MET 1 2.503 -2.432 -0.001
7 HE1 MET 1 3HE MET 1 0.058 -5.516 1.294
8 HE2 MET 1 1HE MET 1 -1.147 -4.230 1.362
9 HE3 MET 1 2HE MET 1 -0.177 -4.452 -0.093
10 H LYS 2 H LYS 2 0.636 -0.846 -2.795
11 HA LYS 2 HA LYS 2 -0.378 1.616 -3.785
12 HB2 LYS 2 2HB LYS 2 -0.621 -1.257 -4.555
13 HB3 LYS 2 3HB LYS 2 -1.778 -0.117 -5.228
14 HG2 LYS 2 2HG LYS 2 -0.116 1.084 -6.352
15 HG3 LYS 2 3HG LYS 2 1.177 0.365 -5.390
16 HD2 LYS 2 2HD LYS 2 1.044 -1.674 -6.520
17 HD3 LYS 2 3HD LYS 2 -0.572 -1.328 -7.143
18 HE2 LYS 2 2HE LYS 2 1.737 0.399 -7.932
19 HE3 LYS 2 3HE LYS 2 1.499 -1.161 -8.717
20 HZ1 LYS 2 3HZ LYS 2 -0.948 0.236 -8.621
21 HZ2 LYS 2 1HZ LYS 2 -0.076 -0.282 -9.976
22 HZ3 LYS 2 2HZ LYS 2 0.233 1.238 -9.301
23 H THR 3 H THR 3 -2.444 2.440 -3.795
24 HA THR 3 HA THR 3 -4.146 1.569 -1.617
25 HB THR 3 HB THR 3 -5.345 3.655 -3.188
26 HG1 THR 3 HG1 THR 3 -3.352 4.249 -3.945
27 HG21 THR 3 1HG2 THR 3 -5.259 2.999 -0.599
28 HG22 THR 3 2HG2 THR 3 -5.629 4.633 -1.150
29 HG23 THR 3 3HG2 THR 3 -4.000 4.232 -0.609
30 H ILE 4 H ILE 4 -3.946 1.128 -5.000
31 HA ILE 4 HA ILE 4 -6.732 0.692 -5.495
32 HB ILE 4 HB ILE 4 -6.000 -0.255 -7.649
33 HG12 ILE 4 2HG1 ILE 4 -3.365 0.215 -7.952
34 HG13 ILE 4 3HG1 ILE 4 -3.383 -0.241 -6.251
35 HG21 ILE 4 1HG2 ILE 4 -6.229 2.214 -7.236
36 HG22 ILE 4 2HG2 ILE 4 -4.477 2.270 -7.050
37 HG23 ILE 4 3HG2 ILE 4 -5.184 1.770 -8.585
38 HD11 ILE 4 3HD1 ILE 4 -4.333 -2.368 -6.767
39 HD12 ILE 4 1HD1 ILE 4 -4.566 -1.910 -8.453
40 HD13 ILE 4 2HD1 ILE 4 -2.935 -2.114 -7.812
41 H LEU 5 H LEU 5 -4.151 -1.202 -4.232
42 HA LEU 5 HA LEU 5 -4.865 -3.786 -4.903
43 HB2 LEU 5 2HB LEU 5 -3.926 -2.994 -2.160
44 HB3 LEU 5 3HB LEU 5 -3.645 -4.513 -3.009
45 HG LEU 5 HG LEU 5 -2.418 -1.835 -3.665
46 HD11 LEU 5 1HD1 LEU 5 -1.608 -3.142 -1.633
47 HD12 LEU 5 2HD1 LEU 5 -0.401 -2.687 -2.835
48 HD13 LEU 5 3HD1 LEU 5 -1.017 -4.339 -2.785
49 HD21 LEU 5 3HD2 LEU 5 -2.934 -3.280 -5.648
50 HD22 LEU 5 1HD2 LEU 5 -1.863 -4.500 -4.955
51 HD23 LEU 5 2HD2 LEU 5 -1.222 -2.921 -5.413
52 H ARG 6 H ARG 6 -6.019 -1.845 -2.154
53 HA ARG 6 HA ARG 6 -7.697 -3.738 -0.999
54 HB2 ARG 6 2HB ARG 6 -8.113 -0.746 -1.131
55 HB3 ARG 6 3HB ARG 6 -8.882 -1.841 0.009
56 HG2 ARG 6 2HG ARG 6 -6.373 -2.443 0.577
57 HG3 ARG 6 3HG ARG 6 -6.099 -0.821 -0.064
58 HD2 ARG 6 2HD ARG 6 -7.092 0.179 1.695
59 HD3 ARG 6 3HD ARG 6 -8.341 -1.059 1.822
60 HE ARG 6 HE ARG 6 -7.055 -2.149 3.373
61 HH11 ARG 6 1HH1 ARG 6 -5.102 0.209 1.717
62 HH12 ARG 6 2HH1 ARG 6 -3.742 0.017 2.774
63 HH21 ARG 6 1HH2 ARG 6 -5.272 -2.411 4.771
64 HH22 ARG 6 2HH2 ARG 6 -3.840 -1.475 4.510
65 H PHE 7 H PHE 7 -8.199 -1.657 -3.770
66 HA PHE 7 HA PHE 7 -11.006 -2.144 -3.983
67 HB2 PHE 7 2HB PHE 7 -8.980 -1.031 -5.927
68 HB3 PHE 7 3HB PHE 7 -10.697 -1.166 -6.294
69 HD1 PHE 7 HD2 PHE 7 -8.205 0.500 -4.162
70 HD2 PHE 7 HD1 PHE 7 -12.277 0.361 -5.391
71 HE1 PHE 7 HE2 PHE 7 -8.599 2.680 -3.091
72 HE2 PHE 7 HE1 PHE 7 -12.678 2.541 -4.322
73 HZ PHE 7 HZ PHE 7 -10.838 3.702 -3.169
74 H VAL 8 H VAL 8 -8.281 -3.162 -6.052
75 HA VAL 8 HA VAL 8 -9.690 -4.996 -7.598
76 HB VAL 8 HB VAL 8 -7.372 -4.163 -8.061
77 HG11 VAL 8 1HG1 VAL 8 -6.451 -4.534 -5.816
78 HG12 VAL 8 2HG1 VAL 8 -6.577 -6.278 -6.060
79 HG13 VAL 8 3HG1 VAL 8 -5.484 -5.323 -7.063
80 HG21 VAL 8 3HG2 VAL 8 -7.745 -7.158 -8.123
81 HG22 VAL 8 1HG2 VAL 8 -8.350 -6.014 -9.322
82 HG23 VAL 8 2HG2 VAL 8 -6.613 -6.236 -9.113
83 H ALA 9 H ALA 9 -8.408 -5.282 -4.380
84 HA ALA 9 HA ALA 9 -8.288 -8.070 -4.137
85 HB1 ALA 9 3HB ALA 9 -7.327 -6.547 -2.488
86 HB2 ALA 9 1HB ALA 9 -8.946 -6.036 -2.008
87 HB3 ALA 9 2HB ALA 9 -8.425 -7.698 -1.728
88 H GLY 10 H GLY 10 -10.987 -5.927 -4.304
89 HA2 GLY 10 2HA GLY 10 -12.834 -7.845 -3.128
90 HA3 GLY 10 3HA GLY 10 -13.238 -6.250 -3.746
91 H TYR 11 H TYR 11 -11.757 -6.855 -6.279
92 HA TYR 11 HA TYR 11 -13.960 -7.761 -7.787
93 HB2 TYR 11 2HB TYR 11 -12.359 -6.299 -8.816
94 HB3 TYR 11 3HB TYR 11 -11.044 -7.426 -8.505
95 HD1 TYR 11 HD2 TYR 11 -14.429 -8.104 -9.899
96 HD2 TYR 11 HD1 TYR 11 -10.239 -7.974 -10.625
97 HE1 TYR 11 HE2 TYR 11 -14.787 -9.122 -12.110
98 HE2 TYR 11 HE1 TYR 11 -10.585 -8.991 -12.838
99 HH TYR 11 HH TYR 11 -13.678 -9.296 -14.256
100 H ASP 12 H ASP 12 -10.889 -9.341 -6.941
101 HA ASP 12 HA ASP 12 -11.279 -11.751 -8.263
102 HB2 ASP 12 2HB ASP 12 -9.243 -10.819 -6.880
103 HB3 ASP 12 3HB ASP 12 -9.980 -11.735 -5.568
104 H ILE 13 H ILE 13 -12.702 -10.561 -5.328
105 HA ILE 13 HA ILE 13 -13.718 -13.158 -4.536
106 HB ILE 13 HB ILE 13 -14.440 -10.464 -3.386
107 HG12 ILE 13 2HG1 ILE 13 -11.997 -10.847 -3.311
108 HG13 ILE 13 3HG1 ILE 13 -12.718 -10.854 -1.705
109 HG21 ILE 13 1HG2 ILE 13 -14.707 -12.101 -1.338
110 HG22 ILE 13 2HG2 ILE 13 -16.003 -11.882 -2.512
111 HG23 ILE 13 3HG2 ILE 13 -14.947 -13.291 -2.617
112 HD11 ILE 13 3HD1 ILE 13 -11.076 -12.606 -1.897
113 HD12 ILE 13 1HD1 ILE 13 -12.684 -13.308 -1.727
114 HD13 ILE 13 2HD1 ILE 13 -11.903 -13.266 -3.309
115 H ALA 14 H ALA 14 -14.816 -10.324 -6.241
116 HA ALA 14 HA ALA 14 -17.602 -10.894 -6.105
117 HB1 ALA 14 3HB ALA 14 -16.100 -9.216 -8.112
118 HB2 ALA 14 1HB ALA 14 -17.842 -9.200 -7.834
119 HB3 ALA 14 2HB ALA 14 -16.741 -8.647 -6.571
120 H SER 15 H SER 15 -14.999 -12.017 -8.090
121 HA SER 15 HA SER 15 -16.371 -12.823 -10.381
122 HB2 SER 15 2HB SER 15 -13.842 -13.658 -9.040
123 HB3 SER 15 3HB SER 15 -14.490 -14.709 -10.299
124 HG SER 15 HG SER 15 -13.215 -13.274 -11.351
125 H HIS 16 H HIS 16 -15.840 -14.520 -7.318
126 HA HIS 16 HA HIS 16 -17.274 -16.863 -8.183
127 HB2 HIS 16 2HB HIS 16 -16.183 -16.005 -5.500
128 HB3 HIS 16 3HB HIS 16 -17.031 -17.527 -5.754
129 HD1 HIS 16 HD1 HIS 16 -14.555 -18.361 -4.853
130 HD2 HIS 16 HD2 HIS 16 -14.815 -16.914 -8.739
131 HE1 HIS 16 HE1 HIS 16 -12.506 -19.221 -6.030
132 H LYS 17 H LYS 17 -17.935 -14.026 -6.203
133 HA LYS 17 HA LYS 17 -20.353 -14.792 -5.065
134 HB2 LYS 17 2HB LYS 17 -19.136 -12.748 -4.443
135 HB3 LYS 17 3HB LYS 17 -19.528 -12.038 -6.004
136 HG2 LYS 17 2HG LYS 17 -21.954 -12.289 -5.382
137 HG3 LYS 17 3HG LYS 17 -21.407 -12.705 -3.755
138 HD2 LYS 17 2HD LYS 17 -21.817 -10.415 -3.623
139 HD3 LYS 17 3HD LYS 17 -20.072 -10.506 -3.875
140 HE2 LYS 17 2HE LYS 17 -20.199 -9.677 -6.000
141 HE3 LYS 17 3HE LYS 17 -21.815 -10.326 -6.274
142 HZ1 LYS 17 3HZ LYS 17 -21.742 -8.318 -4.226
143 HZ2 LYS 17 1HZ LYS 17 -22.752 -8.446 -5.578
144 HZ3 LYS 17 2HZ LYS 17 -21.224 -7.735 -5.727
145 H LYS 18 H LYS 18 -19.641 -13.576 -8.281
146 HA LYS 18 HA LYS 18 -20.879 -13.462 -10.184
147 HB2 LYS 18 2HB LYS 18 -21.464 -15.857 -9.186
148 HB3 LYS 18 3HB LYS 18 -23.058 -15.131 -9.021
149 HG2 LYS 18 2HG LYS 18 -23.462 -15.242 -11.213
150 HG3 LYS 18 3HG LYS 18 -21.839 -14.694 -11.638
151 HD2 LYS 18 2HD LYS 18 -20.972 -16.838 -11.624
152 HD3 LYS 18 3HD LYS 18 -22.236 -17.453 -10.557
153 HE2 LYS 18 2HE LYS 18 -22.636 -16.613 -13.427
154 HE3 LYS 18 3HE LYS 18 -22.449 -18.277 -12.875
155 HZ1 LYS 18 3HZ LYS 18 -24.766 -16.614 -12.849
156 HZ2 LYS 18 1HZ LYS 18 -24.447 -17.252 -11.315
157 HZ3 LYS 18 2HZ LYS 18 -24.643 -18.287 -12.637
158 H LYS 19 H LYS 19 -21.400 -11.286 -10.009
159 HA LYS 19 HA LYS 19 -23.568 -10.312 -8.453
160 HB2 LYS 19 2HB LYS 19 -23.186 -8.206 -9.522
161 HB3 LYS 19 3HB LYS 19 -21.616 -8.946 -9.236
162 HG2 LYS 19 2HG LYS 19 -21.245 -8.345 -11.366
163 HG3 LYS 19 3HG LYS 19 -22.110 -9.842 -11.725
164 HD2 LYS 19 2HD LYS 19 -23.186 -8.285 -13.072
165 HD3 LYS 19 3HD LYS 19 -24.229 -8.360 -11.650
166 HE2 LYS 19 2HE LYS 19 -23.683 -6.262 -10.974
167 HE3 LYS 19 3HE LYS 19 -22.037 -6.371 -11.596
168 HZ1 LYS 19 3HZ LYS 19 -23.448 -4.775 -12.811
169 HZ2 LYS 19 1HZ LYS 19 -24.448 -6.050 -13.298
170 HZ3 LYS 19 2HZ LYS 19 -22.835 -5.998 -13.805
171 H THR 20 H THR 20 -23.438 -11.999 -11.377
172 HA THR 20 HA THR 20 -25.849 -10.872 -12.512
173 HB THR 20 HB THR 20 -25.617 -12.606 -14.239
174 HG1 THR 20 HG1 THR 20 -24.732 -14.290 -13.017
175 HG21 THR 20 1HG2 THR 20 -24.185 -11.247 -15.272
176 HG22 THR 20 2HG2 THR 20 -22.850 -11.842 -14.284
177 HG23 THR 20 3HG2 THR 20 -23.834 -10.492 -13.718
178 H GLY 21 H GLY 21 -27.216 -11.280 -10.635
179 HA2 GLY 21 2HA GLY 21 -29.020 -13.301 -10.922
180 HA3 GLY 21 3HA GLY 21 -27.791 -13.995 -9.876
181 H GLY 22 H GLY 22 -29.186 -10.722 -10.048
182 HA2 GLY 22 2HA GLY 22 -30.419 -11.118 -7.429
183 HA3 GLY 22 3HA GLY 22 -29.165 -9.891 -7.537
184 H TYR 23 H TYR 23 -31.584 -10.688 -9.984
185 HA TYR 23 HA TYR 23 -32.681 -7.973 -9.648
186 HB2 TYR 23 2HB TYR 23 -32.592 -9.602 -12.194
187 HB3 TYR 23 3HB TYR 23 -33.151 -7.941 -12.029
188 HD1 TYR 23 HD2 TYR 23 -30.159 -10.113 -11.845
189 HD2 TYR 23 HD1 TYR 23 -31.631 -6.129 -12.101
190 HE1 TYR 23 HE2 TYR 23 -27.881 -9.307 -12.307
191 HE2 TYR 23 HE1 TYR 23 -29.358 -5.313 -12.564
192 HH TYR 23 HH TYR 23 -27.251 -5.905 -13.048
193 HA PRO 24 HA PRO 24 -36.678 -9.644 -8.949
194 HB2 PRO 24 2HB PRO 24 -38.258 -7.802 -10.166
195 HB3 PRO 24 3HB PRO 24 -37.405 -7.484 -8.651
196 HG2 PRO 24 2HG PRO 24 -36.658 -6.709 -11.444
197 HG3 PRO 24 3HG PRO 24 -36.575 -5.749 -9.956
198 HD2 PRO 24 2HD PRO 24 -34.403 -6.951 -11.039
199 HD3 PRO 24 3HD PRO 24 -34.595 -6.725 -9.289
200 H TRP 25 H TRP 25 -35.764 -8.885 -12.246
201 HA TRP 25 HA TRP 25 -37.721 -10.867 -13.209
202 HB2 TRP 25 2HB TRP 25 -38.097 -9.630 -15.103
203 HB3 TRP 25 3HB TRP 25 -37.705 -8.325 -13.986
204 HD1 TRP 25 HD1 TRP 25 -36.623 -9.852 -17.217
205 HE1 TRP 25 HE1 TRP 25 -34.512 -8.666 -18.088
206 HE3 TRP 25 HE3 TRP 25 -35.416 -7.173 -13.034
207 HZ2 TRP 25 HZ2 TRP 25 -32.589 -6.836 -17.128
208 HZ3 TRP 25 HZ3 TRP 25 -33.424 -5.728 -13.093
209 HH2 TRP 25 HH2 TRP 25 -32.042 -5.565 -15.099
210 H GLU 26 H GLU 26 -34.390 -9.832 -13.223
211 HA GLU 26 HA GLU 26 -33.660 -12.047 -15.001
212 HB2 GLU 26 2HB GLU 26 -32.596 -9.404 -14.519
213 HB3 GLU 26 3HB GLU 26 -31.347 -10.623 -14.305
214 HG2 GLU 26 2HG GLU 26 -32.730 -11.318 -16.645
215 HG3 GLU 26 3HG GLU 26 -32.467 -9.577 -16.718
216 H ARG 27 H ARG 27 -33.967 -13.732 -13.496
217 HA ARG 27 HA ARG 27 -32.363 -13.715 -11.065
218 HB2 ARG 27 2HB ARG 27 -33.563 -15.657 -10.413
219 HB3 ARG 27 3HB ARG 27 -34.740 -14.577 -11.149
220 HG2 ARG 27 2HG ARG 27 -35.368 -16.423 -12.252
221 HG3 ARG 27 3HG ARG 27 -34.004 -16.029 -13.300
222 HD2 ARG 27 2HD ARG 27 -33.090 -17.505 -11.017
223 HD3 ARG 27 3HD ARG 27 -34.412 -18.372 -11.798
224 HE ARG 27 HE ARG 27 -31.764 -17.980 -12.818
225 HH11 ARG 27 1HH1 ARG 27 -35.094 -18.501 -13.691
226 HH12 ARG 27 2HH1 ARG 27 -34.716 -19.209 -15.226
227 HH21 ARG 27 1HH2 ARG 27 -31.254 -18.910 -14.837
228 HH22 ARG 27 2HH2 ARG 27 -32.532 -19.443 -15.877
229 H GLY 28 H GLY 28 -32.328 -15.050 -14.267
230 HA2 GLY 28 2HA GLY 28 -30.245 -16.981 -13.593
231 HA3 GLY 28 3HA GLY 28 -31.021 -16.790 -15.158
232 H LYS 29 H LYS 29 -28.862 -16.919 -16.045
233 HA LYS 29 HA LYS 29 -27.247 -14.498 -15.639
234 HB2 LYS 29 2HB LYS 29 -25.409 -15.745 -16.664
235 HB3 LYS 29 3HB LYS 29 -26.071 -16.617 -15.288
236 HG2 LYS 29 2HG LYS 29 -27.255 -18.120 -16.743
237 HG3 LYS 29 3HG LYS 29 -26.764 -17.190 -18.161
238 HD2 LYS 29 2HD LYS 29 -24.935 -18.443 -18.314
239 HD3 LYS 29 3HD LYS 29 -24.409 -17.832 -16.744
240 HE2 LYS 29 2HE LYS 29 -26.182 -19.680 -15.942
241 HE3 LYS 29 3HE LYS 29 -25.670 -20.408 -17.464
242 HZ1 LYS 29 3HZ LYS 29 -24.217 -21.244 -15.855
243 HZ2 LYS 29 1HZ LYS 29 -24.011 -19.739 -15.108
244 HZ3 LYS 29 2HZ LYS 29 -23.327 -20.030 -16.628
245 H ALA 30 H ALA 30 -29.002 -16.352 -18.023
246 HA ALA 30 HA ALA 30 -29.216 -14.112 -19.767
247 HB1 ALA 30 3HB ALA 30 -27.158 -14.463 -20.691
248 HB2 ALA 30 1HB ALA 30 -27.185 -16.197 -20.369
249 HB3 ALA 30 2HB ALA 30 -28.124 -15.533 -21.707
Start of MODEL 19
1 H1 MET 1 H MET 1 0.048 0.375 0.473
2 HA MET 1 HA MET 1 2.423 1.167 -0.400
3 HB2 MET 1 2HB MET 1 1.997 -1.663 -1.283
4 HB3 MET 1 3HB MET 1 2.880 -0.553 -2.323
5 HG2 MET 1 2HG MET 1 4.571 -0.232 -0.712
6 HG3 MET 1 3HG MET 1 3.616 -1.007 0.550
7 HE1 MET 1 3HE MET 1 2.621 -3.881 -0.881
8 HE2 MET 1 1HE MET 1 3.917 -4.690 0.000
9 HE3 MET 1 2HE MET 1 3.062 -3.335 0.737
10 H LYS 2 H LYS 2 -0.164 -0.700 -1.996
11 HA LYS 2 HA LYS 2 -0.688 1.662 -3.681
12 HB2 LYS 2 2HB LYS 2 -0.605 -1.254 -4.392
13 HB3 LYS 2 3HB LYS 2 -1.593 -0.139 -5.328
14 HG2 LYS 2 2HG LYS 2 0.482 1.243 -5.664
15 HG3 LYS 2 3HG LYS 2 1.390 -0.096 -4.959
16 HD2 LYS 2 2HD LYS 2 0.018 -1.473 -6.771
17 HD3 LYS 2 3HD LYS 2 0.003 0.097 -7.580
18 HE2 LYS 2 2HE LYS 2 2.036 -0.375 -8.346
19 HE3 LYS 2 3HE LYS 2 2.623 -0.229 -6.689
20 HZ1 LYS 2 3HZ LYS 2 2.073 -2.625 -6.414
21 HZ2 LYS 2 1HZ LYS 2 3.311 -2.324 -7.527
22 HZ3 LYS 2 2HZ LYS 2 1.757 -2.705 -8.074
23 H THR 3 H THR 3 -2.460 2.556 -2.814
24 HA THR 3 HA THR 3 -4.448 1.321 -1.340
25 HB THR 3 HB THR 3 -5.660 3.428 -2.840
26 HG1 THR 3 HG1 THR 3 -3.688 4.219 -3.440
27 HG21 THR 3 1HG2 THR 3 -5.534 4.587 -0.632
28 HG22 THR 3 2HG2 THR 3 -4.551 3.249 -0.039
29 HG23 THR 3 3HG2 THR 3 -6.216 2.963 -0.548
30 H ILE 4 H ILE 4 -4.012 1.447 -4.787
31 HA ILE 4 HA ILE 4 -6.622 0.841 -5.621
32 HB ILE 4 HB ILE 4 -5.622 0.041 -7.701
33 HG12 ILE 4 2HG1 ILE 4 -2.881 0.547 -7.352
34 HG13 ILE 4 3HG1 ILE 4 -3.354 -0.436 -5.972
35 HG21 ILE 4 1HG2 ILE 4 -5.071 2.115 -8.396
36 HG22 ILE 4 2HG2 ILE 4 -5.580 2.567 -6.770
37 HG23 ILE 4 3HG2 ILE 4 -3.868 2.338 -7.126
38 HD11 ILE 4 3HD1 ILE 4 -2.678 -1.967 -7.588
39 HD12 ILE 4 1HD1 ILE 4 -4.438 -1.989 -7.681
40 HD13 ILE 4 2HD1 ILE 4 -3.503 -1.103 -8.885
41 H LEU 5 H LEU 5 -4.146 -1.122 -4.200
42 HA LEU 5 HA LEU 5 -4.894 -3.663 -5.062
43 HB2 LEU 5 2HB LEU 5 -3.826 -2.849 -2.362
44 HB3 LEU 5 3HB LEU 5 -3.842 -4.490 -3.007
45 HG LEU 5 HG LEU 5 -2.338 -2.233 -4.317
46 HD11 LEU 5 1HD1 LEU 5 -0.782 -4.216 -2.844
47 HD12 LEU 5 2HD1 LEU 5 -1.765 -3.174 -1.816
48 HD13 LEU 5 3HD1 LEU 5 -0.600 -2.464 -2.933
49 HD21 LEU 5 3HD2 LEU 5 -1.274 -3.898 -5.571
50 HD22 LEU 5 1HD2 LEU 5 -2.972 -4.375 -5.561
51 HD23 LEU 5 2HD2 LEU 5 -1.822 -5.185 -4.497
52 H ARG 6 H ARG 6 -6.078 -1.764 -2.308
53 HA ARG 6 HA ARG 6 -7.761 -3.654 -1.167
54 HB2 ARG 6 2HB ARG 6 -7.801 -0.658 -1.269
55 HB3 ARG 6 3HB ARG 6 -9.134 -1.526 -0.522
56 HG2 ARG 6 2HG ARG 6 -7.840 -2.301 1.214
57 HG3 ARG 6 3HG ARG 6 -6.339 -2.152 0.299
58 HD2 ARG 6 2HD ARG 6 -6.076 -0.330 1.615
59 HD3 ARG 6 3HD ARG 6 -7.061 0.422 0.361
60 HE ARG 6 HE ARG 6 -8.715 0.699 1.905
61 HH11 ARG 6 1HH1 ARG 6 -6.544 -1.778 3.033
62 HH12 ARG 6 2HH1 ARG 6 -7.321 -1.941 4.572
63 HH21 ARG 6 1HH2 ARG 6 -9.747 0.494 3.930
64 HH22 ARG 6 2HH2 ARG 6 -9.143 -0.649 5.081
65 H PHE 7 H PHE 7 -8.195 -1.680 -4.012
66 HA PHE 7 HA PHE 7 -11.005 -2.141 -4.269
67 HB2 PHE 7 2HB PHE 7 -8.950 -1.198 -6.278
68 HB3 PHE 7 3HB PHE 7 -10.687 -1.224 -6.566
69 HD1 PHE 7 HD2 PHE 7 -8.067 0.232 -4.388
70 HD2 PHE 7 HD1 PHE 7 -12.041 0.549 -5.879
71 HE1 PHE 7 HE2 PHE 7 -8.262 2.471 -3.387
72 HE2 PHE 7 HE1 PHE 7 -12.242 2.789 -4.882
73 HZ PHE 7 HZ PHE 7 -10.350 3.753 -3.632
74 H VAL 8 H VAL 8 -8.244 -3.290 -6.219
75 HA VAL 8 HA VAL 8 -9.654 -5.182 -7.704
76 HB VAL 8 HB VAL 8 -7.331 -4.384 -8.189
77 HG11 VAL 8 1HG1 VAL 8 -6.588 -6.362 -6.036
78 HG12 VAL 8 2HG1 VAL 8 -5.457 -5.546 -7.117
79 HG13 VAL 8 3HG1 VAL 8 -6.395 -4.611 -5.952
80 HG21 VAL 8 3HG2 VAL 8 -7.695 -7.378 -8.095
81 HG22 VAL 8 1HG2 VAL 8 -8.309 -6.303 -9.352
82 HG23 VAL 8 2HG2 VAL 8 -6.570 -6.501 -9.133
83 H ALA 9 H ALA 9 -8.338 -5.343 -4.478
84 HA ALA 9 HA ALA 9 -8.230 -8.096 -4.085
85 HB1 ALA 9 3HB ALA 9 -7.369 -6.402 -2.503
86 HB2 ALA 9 1HB ALA 9 -9.030 -6.030 -2.041
87 HB3 ALA 9 2HB ALA 9 -8.363 -7.632 -1.724
88 H GLY 10 H GLY 10 -10.960 -5.991 -4.377
89 HA2 GLY 10 2HA GLY 10 -12.807 -7.886 -3.177
90 HA3 GLY 10 3HA GLY 10 -13.218 -6.332 -3.886
91 H TYR 11 H TYR 11 -11.868 -6.815 -6.394
92 HA TYR 11 HA TYR 11 -13.939 -7.876 -7.896
93 HB2 TYR 11 2HB TYR 11 -12.255 -6.478 -8.917
94 HB3 TYR 11 3HB TYR 11 -10.998 -7.659 -8.565
95 HD1 TYR 11 HD1 TYR 11 -14.398 -8.194 -9.988
96 HD2 TYR 11 HD2 TYR 11 -10.198 -8.313 -10.653
97 HE1 TYR 11 HE1 TYR 11 -14.781 -9.247 -12.178
98 HE2 TYR 11 HE2 TYR 11 -10.568 -9.365 -12.846
99 HH TYR 11 HH TYR 11 -13.351 -9.338 -14.451
100 H ASP 12 H ASP 12 -10.941 -9.459 -6.835
101 HA ASP 12 HA ASP 12 -11.351 -11.931 -8.065
102 HB2 ASP 12 2HB ASP 12 -9.267 -11.042 -6.843
103 HB3 ASP 12 3HB ASP 12 -10.032 -11.642 -5.374
104 H ILE 13 H ILE 13 -12.732 -10.567 -5.177
105 HA ILE 13 HA ILE 13 -13.800 -13.091 -4.251
106 HB ILE 13 HB ILE 13 -14.488 -10.322 -3.270
107 HG12 ILE 13 2HG1 ILE 13 -12.080 -10.646 -3.107
108 HG13 ILE 13 3HG1 ILE 13 -12.801 -10.732 -1.504
109 HG21 ILE 13 1HG2 ILE 13 -15.162 -11.464 -1.232
110 HG22 ILE 13 2HG2 ILE 13 -16.050 -12.095 -2.618
111 HG23 ILE 13 3HG2 ILE 13 -14.711 -13.017 -1.936
112 HD11 ILE 13 3HD1 ILE 13 -11.839 -12.692 -1.193
113 HD12 ILE 13 1HD1 ILE 13 -12.740 -13.355 -2.556
114 HD13 ILE 13 2HD1 ILE 13 -11.155 -12.626 -2.817
115 H ALA 14 H ALA 14 -14.953 -10.213 -5.919
116 HA ALA 14 HA ALA 14 -17.710 -10.938 -5.861
117 HB1 ALA 14 3HB ALA 14 -16.175 -8.968 -7.541
118 HB2 ALA 14 1HB ALA 14 -17.925 -9.175 -7.633
119 HB3 ALA 14 2HB ALA 14 -17.177 -8.636 -6.128
120 H SER 15 H SER 15 -15.024 -11.741 -7.896
121 HA SER 15 HA SER 15 -16.262 -12.423 -10.275
122 HB2 SER 15 2HB SER 15 -13.714 -12.712 -9.192
123 HB3 SER 15 3HB SER 15 -14.224 -14.365 -9.530
124 HG SER 15 HG SER 15 -14.247 -13.951 -11.622
125 H HIS 16 H HIS 16 -15.594 -14.580 -7.515
126 HA HIS 16 HA HIS 16 -17.204 -16.689 -8.620
127 HB2 HIS 16 2HB HIS 16 -16.668 -17.908 -6.589
128 HB3 HIS 16 3HB HIS 16 -15.212 -17.138 -7.214
129 HD1 HIS 16 HD1 HIS 16 -17.639 -16.986 -4.368
130 HD2 HIS 16 HD2 HIS 16 -14.099 -15.176 -5.573
131 HE1 HIS 16 HE1 HIS 16 -16.824 -15.701 -2.365
132 H LYS 17 H LYS 17 -17.667 -14.058 -6.398
133 HA LYS 17 HA LYS 17 -19.913 -14.941 -4.999
134 HB2 LYS 17 2HB LYS 17 -18.574 -12.864 -4.535
135 HB3 LYS 17 3HB LYS 17 -19.393 -12.102 -5.893
136 HG2 LYS 17 2HG LYS 17 -21.088 -11.546 -4.588
137 HG3 LYS 17 3HG LYS 17 -21.353 -13.239 -4.168
138 HD2 LYS 17 2HD LYS 17 -19.319 -11.459 -2.830
139 HD3 LYS 17 3HD LYS 17 -20.947 -11.743 -2.210
140 HE2 LYS 17 2HE LYS 17 -19.581 -14.218 -2.844
141 HE3 LYS 17 3HE LYS 17 -18.677 -13.250 -1.680
142 HZ1 LYS 17 3HZ LYS 17 -21.179 -13.076 -0.725
143 HZ2 LYS 17 1HZ LYS 17 -20.035 -14.209 -0.204
144 HZ3 LYS 17 2HZ LYS 17 -21.187 -14.643 -1.364
145 H LYS 18 H LYS 18 -19.988 -12.625 -7.711
146 HA LYS 18 HA LYS 18 -22.713 -13.500 -8.316
147 HB2 LYS 18 2HB LYS 18 -22.128 -11.055 -8.051
148 HB3 LYS 18 3HB LYS 18 -21.200 -11.191 -9.539
149 HG2 LYS 18 2HG LYS 18 -23.094 -10.549 -10.531
150 HG3 LYS 18 3HG LYS 18 -23.600 -12.224 -10.299
151 HD2 LYS 18 2HD LYS 18 -25.367 -11.282 -9.266
152 HD3 LYS 18 3HD LYS 18 -24.258 -11.164 -7.898
153 HE2 LYS 18 2HE LYS 18 -23.708 -8.894 -8.477
154 HE3 LYS 18 3HE LYS 18 -24.648 -9.002 -9.964
155 HZ1 LYS 18 3HZ LYS 18 -26.085 -9.586 -7.508
156 HZ2 LYS 18 1HZ LYS 18 -26.578 -8.713 -8.871
157 HZ3 LYS 18 2HZ LYS 18 -25.596 -7.978 -7.706
158 H LYS 19 H LYS 19 -21.717 -15.562 -9.121
159 HA LYS 19 HA LYS 19 -20.638 -15.283 -11.840
160 HB2 LYS 19 2HB LYS 19 -19.439 -16.660 -10.030
161 HB3 LYS 19 3HB LYS 19 -20.730 -17.834 -10.244
162 HG2 LYS 19 2HG LYS 19 -19.641 -17.079 -12.792
163 HG3 LYS 19 3HG LYS 19 -18.360 -17.619 -11.704
164 HD2 LYS 19 2HD LYS 19 -20.909 -19.156 -12.181
165 HD3 LYS 19 3HD LYS 19 -19.416 -19.431 -13.082
166 HE2 LYS 19 2HE LYS 19 -18.429 -19.587 -10.615
167 HE3 LYS 19 3HE LYS 19 -20.088 -20.067 -10.262
168 HZ1 LYS 19 3HZ LYS 19 -18.036 -21.462 -11.790
169 HZ2 LYS 19 1HZ LYS 19 -19.623 -21.590 -12.364
170 HZ3 LYS 19 2HZ LYS 19 -19.251 -22.082 -10.789
171 H THR 20 H THR 20 -23.538 -15.332 -10.629
172 HA THR 20 HA THR 20 -24.744 -16.517 -12.925
173 HB THR 20 HB THR 20 -24.378 -18.603 -11.773
174 HG1 THR 20 HG1 THR 20 -26.485 -18.182 -12.767
175 HG21 THR 20 1HG2 THR 20 -25.173 -19.044 -9.536
176 HG22 THR 20 2HG2 THR 20 -25.868 -17.426 -9.424
177 HG23 THR 20 3HG2 THR 20 -24.117 -17.631 -9.500
178 H GLY 21 H GLY 21 -26.760 -15.709 -13.266
179 HA2 GLY 21 2HA GLY 21 -28.609 -14.919 -11.338
180 HA3 GLY 21 3HA GLY 21 -27.623 -13.512 -11.703
181 H GLY 22 H GLY 22 -27.535 -12.791 -13.950
182 HA2 GLY 22 2HA GLY 22 -28.423 -12.495 -16.081
183 HA3 GLY 22 3HA GLY 22 -29.547 -13.809 -15.767
184 H TYR 23 H TYR 23 -29.508 -10.704 -16.535
185 HA TYR 23 HA TYR 23 -31.729 -9.939 -14.768
186 HB2 TYR 23 2HB TYR 23 -30.118 -8.182 -16.629
187 HB3 TYR 23 3HB TYR 23 -31.300 -7.646 -15.440
188 HD1 TYR 23 HD2 TYR 23 -27.973 -9.219 -15.839
189 HD2 TYR 23 HD1 TYR 23 -30.690 -7.308 -13.180
190 HE1 TYR 23 HE2 TYR 23 -26.188 -9.036 -14.155
191 HE2 TYR 23 HE1 TYR 23 -28.913 -7.119 -11.490
192 HH TYR 23 HH TYR 23 -26.066 -7.080 -11.811
193 HA PRO 24 HA PRO 24 -34.721 -10.246 -17.963
194 HB2 PRO 24 2HB PRO 24 -36.355 -8.157 -17.381
195 HB3 PRO 24 3HB PRO 24 -36.287 -9.626 -16.401
196 HG2 PRO 24 2HG PRO 24 -34.970 -6.978 -15.938
197 HG3 PRO 24 3HG PRO 24 -35.798 -8.034 -14.779
198 HD2 PRO 24 2HD PRO 24 -33.100 -7.935 -14.991
199 HD3 PRO 24 3HD PRO 24 -33.970 -9.416 -14.540
200 H TRP 25 H TRP 25 -33.077 -7.179 -17.535
201 HA TRP 25 HA TRP 25 -33.627 -6.530 -20.357
202 HB2 TRP 25 2HB TRP 25 -33.761 -4.296 -19.853
203 HB3 TRP 25 3HB TRP 25 -34.332 -4.964 -18.327
204 HD1 TRP 25 HD1 TRP 25 -31.675 -2.770 -19.765
205 HE1 TRP 25 HE1 TRP 25 -30.037 -2.046 -17.917
206 HE3 TRP 25 HE3 TRP 25 -33.171 -5.959 -16.061
207 HZ2 TRP 25 HZ2 TRP 25 -29.455 -2.736 -15.242
208 HZ3 TRP 25 HZ3 TRP 25 -32.022 -5.865 -13.887
209 HH2 TRP 25 HH2 TRP 25 -30.201 -4.286 -13.488
210 H GLU 26 H GLU 26 -31.194 -6.915 -17.886
211 HA GLU 26 HA GLU 26 -29.081 -6.201 -19.792
212 HB2 GLU 26 2HB GLU 26 -29.379 -5.988 -16.925
213 HB3 GLU 26 3HB GLU 26 -27.915 -6.874 -17.331
214 HG2 GLU 26 2HG GLU 26 -27.993 -4.661 -19.053
215 HG3 GLU 26 3HG GLU 26 -28.428 -4.064 -17.451
216 H ARG 27 H ARG 27 -29.215 -8.076 -21.081
217 HA ARG 27 HA ARG 27 -28.272 -10.535 -19.757
218 HB2 ARG 27 2HB ARG 27 -29.260 -11.618 -21.913
219 HB3 ARG 27 3HB ARG 27 -30.338 -11.151 -20.603
220 HG2 ARG 27 2HG ARG 27 -31.301 -10.494 -22.700
221 HG3 ARG 27 3HG ARG 27 -30.830 -9.050 -21.801
222 HD2 ARG 27 2HD ARG 27 -30.241 -8.912 -24.189
223 HD3 ARG 27 3HD ARG 27 -28.828 -8.828 -23.137
224 HE ARG 27 HE ARG 27 -29.373 -11.489 -24.024
225 HH11 ARG 27 1HH1 ARG 27 -27.908 -8.462 -24.924
226 HH12 ARG 27 2HH1 ARG 27 -26.800 -9.181 -26.045
227 HH21 ARG 27 1HH2 ARG 27 -27.919 -12.449 -25.497
228 HH22 ARG 27 2HH2 ARG 27 -26.808 -11.449 -26.371
229 H GLY 28 H GLY 28 -26.736 -8.241 -20.898
230 HA2 GLY 28 2HA GLY 28 -25.130 -9.820 -22.808
231 HA3 GLY 28 3HA GLY 28 -25.466 -8.118 -23.090
232 H LYS 29 H LYS 29 -23.646 -10.419 -21.217
233 HA LYS 29 HA LYS 29 -22.459 -8.792 -19.319
234 HB2 LYS 29 2HB LYS 29 -20.618 -10.404 -19.291
235 HB3 LYS 29 3HB LYS 29 -22.172 -11.223 -19.372
236 HG2 LYS 29 2HG LYS 29 -21.514 -10.962 -22.014
237 HG3 LYS 29 3HG LYS 29 -19.944 -11.233 -21.252
238 HD2 LYS 29 2HD LYS 29 -20.478 -13.347 -20.590
239 HD3 LYS 29 3HD LYS 29 -22.193 -12.973 -20.402
240 HE2 LYS 29 2HE LYS 29 -22.192 -12.762 -22.975
241 HE3 LYS 29 3HE LYS 29 -20.665 -13.638 -22.895
242 HZ1 LYS 29 3HZ LYS 29 -21.759 -15.527 -22.626
243 HZ2 LYS 29 1HZ LYS 29 -23.219 -14.702 -22.848
244 HZ3 LYS 29 2HZ LYS 29 -22.602 -14.922 -21.289
245 H ALA 30 H ALA 30 -21.740 -9.127 -22.735
246 HA ALA 30 HA ALA 30 -20.127 -6.708 -22.611
247 HB1 ALA 30 3HB ALA 30 -18.391 -7.891 -24.106
248 HB2 ALA 30 1HB ALA 30 -18.340 -8.172 -22.365
249 HB3 ALA 30 2HB ALA 30 -19.054 -9.381 -23.435
Start of MODEL 20
1 H1 MET 1 H MET 1 1.725 0.144 0.218
2 HA MET 1 HA MET 1 3.039 1.076 -1.879
3 HB2 MET 1 2HB MET 1 1.854 -1.507 -1.266
4 HB3 MET 1 3HB MET 1 1.982 -1.242 -3.000
5 HG2 MET 1 2HG MET 1 4.236 -1.321 -2.990
6 HG3 MET 1 3HG MET 1 4.364 -0.574 -1.399
7 HE1 MET 1 3HE MET 1 1.967 -3.796 -1.750
8 HE2 MET 1 1HE MET 1 2.962 -3.640 -3.199
9 HE3 MET 1 2HE MET 1 3.233 -4.979 -2.083
10 H LYS 2 H LYS 2 -0.252 -0.220 -2.367
11 HA LYS 2 HA LYS 2 -0.804 1.930 -4.255
12 HB2 LYS 2 2HB LYS 2 -0.688 -0.984 -4.965
13 HB3 LYS 2 3HB LYS 2 -1.779 0.095 -5.823
14 HG2 LYS 2 2HG LYS 2 0.077 1.463 -6.541
15 HG3 LYS 2 3HG LYS 2 1.199 0.482 -5.595
16 HD2 LYS 2 2HD LYS 2 0.253 -1.485 -7.014
17 HD3 LYS 2 3HD LYS 2 -0.267 -0.204 -8.113
18 HE2 LYS 2 2HE LYS 2 1.959 0.527 -8.457
19 HE3 LYS 2 3HE LYS 2 2.561 -0.443 -7.113
20 HZ1 LYS 2 3HZ LYS 2 1.488 -2.331 -8.648
21 HZ2 LYS 2 1HZ LYS 2 3.105 -1.849 -8.761
22 HZ3 LYS 2 2HZ LYS 2 1.961 -1.229 -9.841
23 H THR 3 H THR 3 -2.530 2.775 -3.258
24 HA THR 3 HA THR 3 -4.357 1.488 -1.627
25 HB THR 3 HB THR 3 -5.757 3.543 -3.028
26 HG1 THR 3 HG1 THR 3 -4.238 4.928 -3.507
27 HG21 THR 3 1HG2 THR 3 -6.109 3.114 -0.701
28 HG22 THR 3 2HG2 THR 3 -5.434 4.737 -0.842
29 HG23 THR 3 3HG2 THR 3 -4.408 3.396 -0.335
30 H ILE 4 H ILE 4 -4.198 1.606 -5.099
31 HA ILE 4 HA ILE 4 -6.843 0.911 -5.723
32 HB ILE 4 HB ILE 4 -5.985 0.130 -7.871
33 HG12 ILE 4 2HG1 ILE 4 -3.243 0.722 -7.741
34 HG13 ILE 4 3HG1 ILE 4 -3.576 -0.266 -6.323
35 HG21 ILE 4 1HG2 ILE 4 -4.615 2.635 -6.904
36 HG22 ILE 4 2HG2 ILE 4 -4.890 2.200 -8.589
37 HG23 ILE 4 3HG2 ILE 4 -6.260 2.523 -7.528
38 HD11 ILE 4 3HD1 ILE 4 -2.974 -1.780 -7.991
39 HD12 ILE 4 1HD1 ILE 4 -4.734 -1.870 -7.923
40 HD13 ILE 4 2HD1 ILE 4 -3.946 -0.960 -9.212
41 H LEU 5 H LEU 5 -4.205 -0.965 -4.492
42 HA LEU 5 HA LEU 5 -4.939 -3.532 -5.281
43 HB2 LEU 5 2HB LEU 5 -3.686 -2.668 -2.678
44 HB3 LEU 5 3HB LEU 5 -3.700 -4.312 -3.314
45 HG LEU 5 HG LEU 5 -2.378 -2.019 -4.747
46 HD11 LEU 5 1HD1 LEU 5 -0.669 -3.956 -3.370
47 HD12 LEU 5 2HD1 LEU 5 -1.576 -2.890 -2.298
48 HD13 LEU 5 3HD1 LEU 5 -0.511 -2.206 -3.526
49 HD21 LEU 5 3HD2 LEU 5 -1.378 -3.650 -6.085
50 HD22 LEU 5 1HD2 LEU 5 -3.044 -4.201 -5.916
51 HD23 LEU 5 2HD2 LEU 5 -1.767 -4.948 -4.957
52 H ARG 6 H ARG 6 -5.957 -1.651 -2.451
53 HA ARG 6 HA ARG 6 -7.485 -3.583 -1.169
54 HB2 ARG 6 2HB ARG 6 -7.546 -0.599 -1.257
55 HB3 ARG 6 3HB ARG 6 -8.886 -1.444 -0.493
56 HG2 ARG 6 2HG ARG 6 -7.355 -2.531 1.044
57 HG3 ARG 6 3HG ARG 6 -5.986 -1.749 0.254
58 HD2 ARG 6 2HD ARG 6 -6.409 0.264 1.210
59 HD3 ARG 6 3HD ARG 6 -8.155 0.021 1.202
60 HE ARG 6 HE ARG 6 -7.057 -1.749 3.054
61 HH11 ARG 6 1HH1 ARG 6 -7.420 1.683 2.599
62 HH12 ARG 6 2HH1 ARG 6 -7.451 2.036 4.294
63 HH21 ARG 6 1HH2 ARG 6 -7.096 -1.296 5.289
64 HH22 ARG 6 2HH2 ARG 6 -7.265 0.341 5.823
65 H PHE 7 H PHE 7 -8.206 -1.645 -3.981
66 HA PHE 7 HA PHE 7 -11.011 -2.194 -4.010
67 HB2 PHE 7 2HB PHE 7 -9.153 -1.202 -6.181
68 HB3 PHE 7 3HB PHE 7 -10.906 -1.285 -6.331
69 HD1 PHE 7 HD2 PHE 7 -8.169 0.269 -4.377
70 HD2 PHE 7 HD1 PHE 7 -12.258 0.448 -5.546
71 HE1 PHE 7 HE2 PHE 7 -8.355 2.509 -3.374
72 HE2 PHE 7 HE1 PHE 7 -12.449 2.689 -4.546
73 HZ PHE 7 HZ PHE 7 -10.497 3.721 -3.457
74 H VAL 8 H VAL 8 -8.379 -3.272 -6.168
75 HA VAL 8 HA VAL 8 -9.843 -5.219 -7.526
76 HB VAL 8 HB VAL 8 -7.592 -4.350 -8.198
77 HG11 VAL 8 1HG1 VAL 8 -5.605 -5.449 -7.280
78 HG12 VAL 8 2HG1 VAL 8 -6.473 -4.537 -6.043
79 HG13 VAL 8 3HG1 VAL 8 -6.617 -6.295 -6.109
80 HG21 VAL 8 3HG2 VAL 8 -7.842 -7.354 -8.068
81 HG22 VAL 8 1HG2 VAL 8 -8.609 -6.310 -9.265
82 HG23 VAL 8 2HG2 VAL 8 -6.852 -6.440 -9.205
83 H ALA 9 H ALA 9 -8.283 -5.308 -4.411
84 HA ALA 9 HA ALA 9 -8.022 -8.040 -3.999
85 HB1 ALA 9 3HB ALA 9 -7.160 -6.308 -2.475
86 HB2 ALA 9 1HB ALA 9 -8.809 -5.983 -1.939
87 HB3 ALA 9 2HB ALA 9 -8.074 -7.556 -1.629
88 H GLY 10 H GLY 10 -10.877 -6.077 -4.117
89 HA2 GLY 10 2HA GLY 10 -12.536 -8.110 -2.854
90 HA3 GLY 10 3HA GLY 10 -13.074 -6.548 -3.451
91 H TYR 11 H TYR 11 -11.673 -7.051 -6.050
92 HA TYR 11 HA TYR 11 -13.852 -8.021 -7.503
93 HB2 TYR 11 2HB TYR 11 -12.165 -6.594 -8.521
94 HB3 TYR 11 3HB TYR 11 -10.941 -7.840 -8.303
95 HD1 TYR 11 HD2 TYR 11 -14.435 -8.037 -9.601
96 HD2 TYR 11 HD1 TYR 11 -10.290 -8.538 -10.414
97 HE1 TYR 11 HE2 TYR 11 -14.987 -8.957 -11.815
98 HE2 TYR 11 HE1 TYR 11 -10.829 -9.458 -12.630
99 HH TYR 11 HH TYR 11 -13.947 -10.426 -13.509
100 H ASP 12 H ASP 12 -10.922 -9.644 -6.383
101 HA ASP 12 HA ASP 12 -11.187 -12.061 -7.725
102 HB2 ASP 12 2HB ASP 12 -9.232 -11.321 -6.315
103 HB3 ASP 12 3HB ASP 12 -10.176 -11.756 -4.894
104 H ILE 13 H ILE 13 -12.884 -10.843 -4.932
105 HA ILE 13 HA ILE 13 -14.091 -13.413 -4.338
106 HB ILE 13 HB ILE 13 -14.713 -10.707 -3.148
107 HG12 ILE 13 2HG1 ILE 13 -13.359 -12.277 -1.274
108 HG13 ILE 13 3HG1 ILE 13 -12.472 -12.515 -2.776
109 HG21 ILE 13 1HG2 ILE 13 -15.602 -12.115 -1.269
110 HG22 ILE 13 2HG2 ILE 13 -16.529 -12.193 -2.766
111 HG23 ILE 13 3HG2 ILE 13 -15.441 -13.512 -2.333
112 HD11 ILE 13 3HD1 ILE 13 -13.083 -9.881 -1.457
113 HD12 ILE 13 1HD1 ILE 13 -11.520 -10.694 -1.522
114 HD13 ILE 13 2HD1 ILE 13 -12.257 -10.078 -3.002
115 H ALA 14 H ALA 14 -14.938 -10.389 -5.900
116 HA ALA 14 HA ALA 14 -17.730 -10.917 -6.109
117 HB1 ALA 14 3HB ALA 14 -17.733 -9.056 -7.725
118 HB2 ALA 14 1HB ALA 14 -16.901 -8.650 -6.224
119 HB3 ALA 14 2HB ALA 14 -15.971 -9.033 -7.673
120 H SER 15 H SER 15 -14.938 -11.833 -7.948
121 HA SER 15 HA SER 15 -16.065 -12.359 -10.439
122 HB2 SER 15 2HB SER 15 -13.822 -13.781 -8.989
123 HB3 SER 15 3HB SER 15 -14.217 -14.038 -10.689
124 HG SER 15 HG SER 15 -13.368 -11.623 -9.465
125 H HIS 16 H HIS 16 -16.164 -14.202 -7.464
126 HA HIS 16 HA HIS 16 -17.523 -16.421 -8.793
127 HB2 HIS 16 2HB HIS 16 -16.248 -16.033 -6.114
128 HB3 HIS 16 3HB HIS 16 -17.478 -17.279 -6.300
129 HD1 HIS 16 HD1 HIS 16 -16.927 -18.995 -8.406
130 HD2 HIS 16 HD2 HIS 16 -13.761 -16.891 -6.728
131 HE1 HIS 16 HE1 HIS 16 -14.853 -20.241 -9.093
132 H LYS 17 H LYS 17 -18.078 -13.990 -6.282
133 HA LYS 17 HA LYS 17 -20.595 -14.754 -5.421
134 HB2 LYS 17 2HB LYS 17 -19.395 -12.992 -4.302
135 HB3 LYS 17 3HB LYS 17 -19.418 -11.991 -5.747
136 HG2 LYS 17 2HG LYS 17 -21.634 -11.424 -5.485
137 HG3 LYS 17 3HG LYS 17 -21.994 -12.856 -4.518
138 HD2 LYS 17 2HD LYS 17 -20.157 -10.693 -3.530
139 HD3 LYS 17 3HD LYS 17 -21.905 -10.603 -3.309
140 HE2 LYS 17 2HE LYS 17 -21.550 -11.749 -1.422
141 HE3 LYS 17 3HE LYS 17 -21.332 -13.148 -2.471
142 HZ1 LYS 17 3HZ LYS 17 -19.084 -13.100 -2.226
143 HZ2 LYS 17 1HZ LYS 17 -19.523 -12.460 -0.723
144 HZ3 LYS 17 2HZ LYS 17 -19.016 -11.431 -1.965
145 H LYS 18 H LYS 18 -19.651 -13.085 -8.349
146 HA LYS 18 HA LYS 18 -22.418 -12.572 -9.092
147 HB2 LYS 18 2HB LYS 18 -20.644 -10.895 -9.558
148 HB3 LYS 18 3HB LYS 18 -19.877 -12.045 -10.645
149 HG2 LYS 18 2HG LYS 18 -22.392 -11.991 -11.649
150 HG3 LYS 18 3HG LYS 18 -22.228 -10.339 -11.048
151 HD2 LYS 18 2HD LYS 18 -20.183 -11.673 -12.812
152 HD3 LYS 18 3HD LYS 18 -21.516 -10.699 -13.436
153 HE2 LYS 18 2HE LYS 18 -20.303 -8.867 -13.112
154 HE3 LYS 18 3HE LYS 18 -20.280 -9.205 -11.382
155 HZ1 LYS 18 3HZ LYS 18 -18.349 -10.745 -11.935
156 HZ2 LYS 18 1HZ LYS 18 -18.051 -9.080 -11.986
157 HZ3 LYS 18 2HZ LYS 18 -18.277 -9.943 -13.423
158 H LYS 19 H LYS 19 -22.756 -14.993 -8.995
159 HA LYS 19 HA LYS 19 -21.748 -16.451 -11.303
160 HB2 LYS 19 2HB LYS 19 -21.981 -17.442 -8.965
161 HB3 LYS 19 3HB LYS 19 -23.718 -17.449 -9.248
162 HG2 LYS 19 2HG LYS 19 -22.315 -18.665 -11.451
163 HG3 LYS 19 3HG LYS 19 -21.888 -19.435 -9.920
164 HD2 LYS 19 2HD LYS 19 -24.711 -18.942 -10.864
165 HD3 LYS 19 3HD LYS 19 -23.847 -20.471 -11.045
166 HE2 LYS 19 2HE LYS 19 -23.511 -20.364 -8.510
167 HE3 LYS 19 3HE LYS 19 -24.751 -19.111 -8.524
168 HZ1 LYS 19 3HZ LYS 19 -25.374 -21.583 -9.933
169 HZ2 LYS 19 1HZ LYS 19 -26.373 -20.588 -8.998
170 HZ3 LYS 19 2HZ LYS 19 -25.315 -21.671 -8.245
171 H THR 20 H THR 20 -24.403 -14.522 -10.501
172 HA THR 20 HA THR 20 -25.807 -15.418 -12.917
173 HB THR 20 HB THR 20 -26.939 -16.398 -10.916
174 HG1 THR 20 HG1 THR 20 -28.375 -14.434 -12.403
175 HG21 THR 20 1HG2 THR 20 -28.201 -14.926 -9.435
176 HG22 THR 20 2HG2 THR 20 -27.551 -13.513 -10.265
177 HG23 THR 20 3HG2 THR 20 -26.478 -14.565 -9.343
178 H GLY 21 H GLY 21 -24.085 -13.074 -11.987
179 HA2 GLY 21 2HA GLY 21 -23.996 -10.888 -12.767
180 HA3 GLY 21 3HA GLY 21 -25.657 -11.049 -13.318
181 H GLY 22 H GLY 22 -27.358 -10.541 -11.923
182 HA2 GLY 22 2HA GLY 22 -28.283 -9.858 -9.852
183 HA3 GLY 22 3HA GLY 22 -26.660 -9.511 -9.271
184 H TYR 23 H TYR 23 -27.963 -8.430 -12.351
185 HA TYR 23 HA TYR 23 -27.980 -5.675 -11.307
186 HB2 TYR 23 2HB TYR 23 -27.118 -6.518 -14.081
187 HB3 TYR 23 3HB TYR 23 -27.091 -4.885 -13.423
188 HD1 TYR 23 HD1 TYR 23 -25.565 -8.246 -13.131
189 HD2 TYR 23 HD2 TYR 23 -25.258 -4.121 -12.134
190 HE1 TYR 23 HE1 TYR 23 -23.270 -8.617 -12.329
191 HE2 TYR 23 HE2 TYR 23 -22.962 -4.480 -11.330
192 HH TYR 23 HH TYR 23 -21.718 -7.236 -10.490
193 HA PRO 24 HA PRO 24 -32.035 -5.212 -12.918
194 HB2 PRO 24 2HB PRO 24 -32.022 -2.608 -13.688
195 HB3 PRO 24 3HB PRO 24 -32.041 -3.108 -11.993
196 HG2 PRO 24 2HG PRO 24 -29.733 -2.218 -13.678
197 HG3 PRO 24 3HG PRO 24 -30.126 -1.788 -12.004
198 HD2 PRO 24 2HD PRO 24 -28.259 -3.646 -12.631
199 HD3 PRO 24 3HD PRO 24 -29.252 -3.748 -11.163
200 H TRP 25 H TRP 25 -29.337 -4.307 -14.965
201 HA TRP 25 HA TRP 25 -31.027 -4.764 -17.336
202 HB2 TRP 25 2HB TRP 25 -29.916 -3.123 -18.488
203 HB3 TRP 25 3HB TRP 25 -29.758 -2.478 -16.856
204 HD1 TRP 25 HD1 TRP 25 -27.728 -3.583 -19.788
205 HE1 TRP 25 HE1 TRP 25 -25.221 -3.463 -19.217
206 HE3 TRP 25 HE3 TRP 25 -28.079 -2.880 -14.736
207 HZ2 TRP 25 HZ2 TRP 25 -23.606 -3.116 -16.927
208 HZ3 TRP 25 HZ3 TRP 25 -26.007 -2.664 -13.428
209 HH2 TRP 25 HH2 TRP 25 -23.817 -2.781 -14.503
210 H GLU 26 H GLU 26 -28.065 -5.575 -15.681
211 HA GLU 26 HA GLU 26 -27.301 -7.399 -17.848
212 HB2 GLU 26 2HB GLU 26 -25.838 -5.835 -15.907
213 HB3 GLU 26 3HB GLU 26 -25.378 -7.529 -15.810
214 HG2 GLU 26 2HG GLU 26 -25.466 -6.894 -18.542
215 HG3 GLU 26 3HG GLU 26 -24.640 -5.557 -17.744
216 H ARG 27 H ARG 27 -28.892 -8.984 -17.459
217 HA ARG 27 HA ARG 27 -28.754 -10.381 -14.885
218 HB2 ARG 27 2HB ARG 27 -30.993 -9.831 -15.551
219 HB3 ARG 27 3HB ARG 27 -30.740 -10.510 -17.154
220 HG2 ARG 27 2HG ARG 27 -30.331 -12.365 -14.907
221 HG3 ARG 27 3HG ARG 27 -31.984 -11.798 -15.150
222 HD2 ARG 27 2HD ARG 27 -32.224 -13.245 -16.816
223 HD3 ARG 27 3HD ARG 27 -30.924 -12.438 -17.693
224 HE ARG 27 HE ARG 27 -29.502 -14.142 -17.101
225 HH11 ARG 27 1HH1 ARG 27 -32.423 -14.354 -15.219
226 HH12 ARG 27 2HH1 ARG 27 -32.041 -15.911 -14.561
227 HH21 ARG 27 1HH2 ARG 27 -28.988 -16.191 -16.243
228 HH22 ARG 27 2HH2 ARG 27 -30.086 -16.955 -15.145
229 H GLY 28 H GLY 28 -27.987 -10.721 -18.256
230 HA2 GLY 28 2HA GLY 28 -26.161 -12.761 -17.966
231 HA3 GLY 28 3HA GLY 28 -27.697 -13.564 -18.253
232 H LYS 29 H LYS 29 -26.284 -14.300 -20.135
233 HA LYS 29 HA LYS 29 -25.771 -12.466 -22.253
234 HB2 LYS 29 2HB LYS 29 -25.827 -15.471 -22.078
235 HB3 LYS 29 3HB LYS 29 -25.538 -14.640 -23.601
236 HG2 LYS 29 2HG LYS 29 -23.883 -13.962 -21.213
237 HG3 LYS 29 3HG LYS 29 -23.538 -15.425 -22.138
238 HD2 LYS 29 2HD LYS 29 -22.664 -14.269 -23.849
239 HD3 LYS 29 3HD LYS 29 -23.944 -13.054 -23.800
240 HE2 LYS 29 2HE LYS 29 -21.672 -12.158 -23.312
241 HE3 LYS 29 3HE LYS 29 -22.846 -11.877 -22.028
242 HZ1 LYS 29 3HZ LYS 29 -21.898 -13.566 -20.718
243 HZ2 LYS 29 1HZ LYS 29 -20.589 -12.671 -21.308
244 HZ3 LYS 29 2HZ LYS 29 -20.970 -14.168 -21.998
245 H ALA 30 H ALA 30 -27.910 -15.308 -22.386
246 HA ALA 30 HA ALA 30 -29.579 -13.967 -24.341
247 HB1 ALA 30 3HB ALA 30 -28.868 -16.405 -24.455
248 HB2 ALA 30 1HB ALA 30 -30.055 -16.698 -23.183
249 HB3 ALA 30 2HB ALA 30 -30.573 -16.059 -24.744
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