Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
641493 | 6gig RC | 34271 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1H MET 1 -14.317 7.289 -5.587
2 H2 MET 1 2H MET 1 -14.312 8.759 -4.753
3 H3 MET 1 3H MET 1 -14.985 8.670 -6.299
4 HA MET 1 HA MET 1 -16.668 8.755 -4.554
5 HB2 MET 1 2HB MET 1 -18.016 6.896 -5.388
6 HB3 MET 1 1HB MET 1 -17.155 7.671 -6.711
7 HG2 MET 1 2HG MET 1 -15.503 5.889 -6.696
8 HG3 MET 1 1HG MET 1 -16.334 5.117 -5.346
9 HE1 MET 1 1HE MET 1 -15.596 3.605 -8.074
10 HE2 MET 1 2HE MET 1 -17.079 2.686 -8.319
11 HE3 MET 1 3HE MET 1 -16.400 2.848 -6.699
12 H ALA 2 H ALA 2 -14.142 7.663 -3.270
13 HA ALA 2 HA ALA 2 -15.199 5.399 -1.778
14 HB1 ALA 2 1HB ALA 2 -12.949 5.172 -0.873
15 HB2 ALA 2 2HB ALA 2 -12.468 6.667 -1.678
16 HB3 ALA 2 3HB ALA 2 -12.914 5.254 -2.634
17 H THR 3 H THR 3 -15.013 8.727 -1.513
18 HA THR 3 HA THR 3 -14.684 8.890 1.333
19 HB THR 3 HB THR 3 -15.374 11.314 0.961
20 HG1 THR 3 HG1 THR 3 -16.443 11.305 -0.947
21 HG21 THR 3 1HG2 THR 3 -13.231 11.902 -0.094
22 HG22 THR 3 2HG2 THR 3 -13.019 10.220 -0.581
23 HG23 THR 3 3HG2 THR 3 -13.036 10.647 1.130
24 H LYS 4 H LYS 4 -16.388 7.415 1.910
25 HA LYS 4 HA LYS 4 -18.964 8.831 2.145
26 HB2 LYS 4 2HB LYS 4 -18.543 5.858 1.775
27 HB3 LYS 4 1HB LYS 4 -20.085 6.610 2.146
28 HG2 LYS 4 2HG LYS 4 -20.043 7.787 0.041
29 HG3 LYS 4 1HG LYS 4 -18.452 7.125 -0.327
30 HD2 LYS 4 2HD LYS 4 -20.127 5.867 -1.515
31 HD3 LYS 4 1HD LYS 4 -19.432 4.851 -0.254
32 HE2 LYS 4 2HE LYS 4 -21.839 4.565 -0.336
33 HE3 LYS 4 1HE LYS 4 -21.373 5.333 1.179
34 HZ1 LYS 4 1HZ LYS 4 -22.052 7.454 0.302
35 HZ2 LYS 4 2HZ LYS 4 -23.330 6.359 0.152
36 HZ3 LYS 4 3HZ LYS 4 -22.409 6.770 -1.201
37 H HIS 5 H HIS 5 -16.590 8.735 3.849
38 HA HIS 5 HA HIS 5 -15.950 8.460 6.003
39 HB2 HIS 5 2HB HIS 5 -18.127 9.566 6.458
40 HB3 HIS 5 1HB HIS 5 -18.900 7.988 6.511
41 HD1 HIS 5 HD1 HIS 5 -19.355 7.330 8.837
42 HD2 HIS 5 HD2 HIS 5 -15.809 9.472 8.520
43 HE1 HIS 5 HE1 HIS 5 -18.426 7.446 11.169
44 HE2 HIS 5 HE2 HIS 5 -16.369 8.888 10.975
45 H GLY 6 H GLY 6 -15.437 6.368 4.473
46 HA2 GLY 6 2HA GLY 6 -14.871 4.153 4.523
47 HA3 GLY 6 1HA GLY 6 -15.046 4.269 6.267
48 H LYS 7 H LYS 7 -17.492 4.610 3.717
49 HA LYS 7 HA LYS 7 -18.939 2.383 4.975
50 HB2 LYS 7 2HB LYS 7 -19.957 4.673 5.206
51 HB3 LYS 7 1HB LYS 7 -20.143 4.700 3.461
52 HG2 LYS 7 2HG LYS 7 -22.221 4.077 4.338
53 HG3 LYS 7 1HG LYS 7 -21.507 2.605 3.679
54 HD2 LYS 7 2HD LYS 7 -20.814 1.923 5.905
55 HD3 LYS 7 1HD LYS 7 -21.457 3.420 6.584
56 HE2 LYS 7 2HE LYS 7 -23.096 1.778 6.990
57 HE3 LYS 7 1HE LYS 7 -23.689 2.733 5.634
58 HZ1 LYS 7 1HZ LYS 7 -24.034 0.418 5.197
59 HZ2 LYS 7 2HZ LYS 7 -22.408 0.063 5.482
60 HZ3 LYS 7 3HZ LYS 7 -22.845 0.991 4.135
61 H ASN 8 H ASN 8 -18.511 0.674 3.730
62 HA ASN 8 HA ASN 8 -18.801 -0.807 2.048
63 HB2 ASN 8 2HB ASN 8 -20.404 1.419 0.791
64 HB3 ASN 8 1HB ASN 8 -20.269 -0.200 0.114
65 HD21 ASN 8 1HD2 ASN 8 -22.533 -1.657 2.316
66 HD22 ASN 8 2HD2 ASN 8 -21.331 -1.893 1.095
67 H SER 9 H SER 9 -18.386 2.315 0.358
68 HA SER 9 HA SER 9 -16.957 1.125 -1.783
69 HB2 SER 9 2HB SER 9 -17.154 4.041 -1.023
70 HB3 SER 9 1HB SER 9 -16.662 3.405 -2.593
71 HG SER 9 HG SER 9 -19.007 2.315 -1.935
72 H TRP 10 H TRP 10 -15.886 1.664 1.271
73 HA TRP 10 HA TRP 10 -13.323 2.767 0.731
74 HB2 TRP 10 2HB TRP 10 -12.695 1.911 2.958
75 HB3 TRP 10 1HB TRP 10 -14.127 2.871 3.005
76 HD1 TRP 10 HD1 TRP 10 -16.479 1.510 3.417
77 HE1 TRP 10 HE1 TRP 10 -16.830 -0.763 4.629
78 HE3 TRP 10 HE3 TRP 10 -11.773 -0.134 3.143
79 HZ2 TRP 10 HZ2 TRP 10 -15.174 -2.979 5.358
80 HZ3 TRP 10 HZ3 TRP 10 -11.175 -2.269 4.101
81 HH2 TRP 10 HH2 TRP 10 -12.831 -3.700 5.179
82 H LYS 11 H LYS 11 -14.603 -0.518 0.669
83 HA LYS 11 HA LYS 11 -12.154 -1.860 1.016
84 HB2 LYS 11 2HB LYS 11 -14.744 -2.556 -0.282
85 HB3 LYS 11 1HB LYS 11 -13.349 -3.581 -0.508
86 HG2 LYS 11 2HG LYS 11 -13.142 -3.851 1.915
87 HG3 LYS 11 1HG LYS 11 -14.561 -2.825 2.132
88 HD2 LYS 11 2HD LYS 11 -14.555 -5.409 0.581
89 HD3 LYS 11 1HD LYS 11 -15.028 -5.271 2.276
90 HE2 LYS 11 2HE LYS 11 -16.826 -3.766 1.685
91 HE3 LYS 11 1HE LYS 11 -16.321 -3.775 -0.003
92 HZ1 LYS 11 1HZ LYS 11 -17.340 -6.101 1.529
93 HZ2 LYS 11 2HZ LYS 11 -16.806 -6.153 -0.075
94 HZ3 LYS 11 3HZ LYS 11 -18.178 -5.251 0.331
95 H THR 12 H THR 12 -13.681 -0.476 -1.756
96 HA THR 12 HA THR 12 -11.915 -1.272 -3.778
97 HB THR 12 HB THR 12 -14.008 0.718 -3.300
98 HG1 THR 12 HG1 THR 12 -13.335 -1.117 -5.347
99 HG21 THR 12 1HG2 THR 12 -12.062 1.190 -5.561
100 HG22 THR 12 2HG2 THR 12 -12.299 2.236 -4.161
101 HG23 THR 12 3HG2 THR 12 -13.604 2.019 -5.328
102 H LEU 13 H LEU 13 -11.821 1.279 -1.401
103 HA LEU 13 HA LEU 13 -9.378 2.513 -2.324
104 HB2 LEU 13 2HB LEU 13 -10.347 4.120 -1.063
105 HB3 LEU 13 1HB LEU 13 -11.446 2.963 -0.337
106 HG LEU 13 HG LEU 13 -8.810 2.731 0.820
107 HD11 LEU 13 1HD1 LEU 13 -8.781 4.883 1.984
108 HD12 LEU 13 2HD1 LEU 13 -10.152 5.422 1.014
109 HD13 LEU 13 3HD1 LEU 13 -8.602 5.087 0.241
110 HD21 LEU 13 1HD2 LEU 13 -11.485 3.488 2.015
111 HD22 LEU 13 2HD2 LEU 13 -10.061 2.950 2.907
112 HD23 LEU 13 3HD2 LEU 13 -10.889 1.838 1.813
113 H TYR 14 H TYR 14 -10.318 -0.074 -0.295
114 HA TYR 14 HA TYR 14 -8.219 0.132 1.597
115 HB2 TYR 14 2HB TYR 14 -10.454 -0.784 2.088
116 HB3 TYR 14 1HB TYR 14 -10.088 -2.171 1.073
117 HD1 TYR 14 HD1 TYR 14 -8.562 -3.851 1.776
118 HD2 TYR 14 HD2 TYR 14 -9.354 -0.463 4.213
119 HE1 TYR 14 HE1 TYR 14 -7.404 -4.949 3.613
120 HE2 TYR 14 HE2 TYR 14 -8.182 -1.546 6.091
121 HH TYR 14 HH TYR 14 -6.217 -4.256 5.730
122 H LEU 15 H LEU 15 -8.829 -2.021 -1.140
123 HA LEU 15 HA LEU 15 -6.544 -3.623 -0.553
124 HB2 LEU 15 2HB LEU 15 -8.033 -3.477 -3.168
125 HB3 LEU 15 1HB LEU 15 -7.026 -4.780 -2.565
126 HG LEU 15 HG LEU 15 -9.570 -3.949 -1.212
127 HD11 LEU 15 1HD1 LEU 15 -10.106 -4.696 -3.461
128 HD12 LEU 15 2HD1 LEU 15 -10.597 -5.908 -2.278
129 HD13 LEU 15 3HD1 LEU 15 -9.130 -6.146 -3.230
130 HD21 LEU 15 1HD2 LEU 15 -7.887 -6.442 -1.020
131 HD22 LEU 15 2HD2 LEU 15 -9.380 -6.126 -0.137
132 HD23 LEU 15 3HD2 LEU 15 -7.949 -5.143 0.171
133 H LYS 16 H LYS 16 -7.147 -0.672 -2.035
134 HA LYS 16 HA LYS 16 -4.712 -0.445 -3.515
135 HB2 LYS 16 2HB LYS 16 -6.618 0.908 -4.154
136 HB3 LYS 16 1HB LYS 16 -6.809 1.495 -2.518
137 HG2 LYS 16 2HG LYS 16 -4.325 2.109 -4.052
138 HG3 LYS 16 1HG LYS 16 -5.801 3.044 -4.303
139 HD2 LYS 16 2HD LYS 16 -5.882 3.444 -1.846
140 HD3 LYS 16 1HD LYS 16 -4.315 2.645 -1.714
141 HE2 LYS 16 2HE LYS 16 -3.336 4.325 -3.210
142 HE3 LYS 16 1HE LYS 16 -4.899 5.123 -3.341
143 HZ1 LYS 16 1HZ LYS 16 -3.372 4.791 -0.816
144 HZ2 LYS 16 2HZ LYS 16 -4.826 5.632 -1.002
145 HZ3 LYS 16 3HZ LYS 16 -3.419 6.205 -1.740
146 H ILE 17 H ILE 17 -5.966 0.371 -0.342
147 HA ILE 17 HA ILE 17 -3.726 1.661 0.709
148 HB ILE 17 HB ILE 17 -6.160 0.359 1.804
149 HG12 ILE 17 2HG1 ILE 17 -4.920 3.090 2.169
150 HG13 ILE 17 1HG1 ILE 17 -6.197 2.683 1.026
151 HG21 ILE 17 1HG2 ILE 17 -5.523 0.646 4.097
152 HG22 ILE 17 2HG2 ILE 17 -3.938 1.259 3.617
153 HG23 ILE 17 3HG2 ILE 17 -4.368 -0.419 3.296
154 HD11 ILE 17 1HD1 ILE 17 -6.403 2.550 4.028
155 HD12 ILE 17 2HD1 ILE 17 -7.686 2.154 2.884
156 HD13 ILE 17 3HD1 ILE 17 -7.078 3.805 2.991
157 H SER 18 H SER 18 -4.718 -1.721 0.689
158 HA SER 18 HA SER 18 -2.577 -2.732 2.225
159 HB2 SER 18 2HB SER 18 -4.763 -3.911 1.579
160 HB3 SER 18 1HB SER 18 -3.994 -4.237 0.020
161 HG SER 18 HG SER 18 -2.748 -4.917 2.466
162 H PHE 19 H PHE 19 -2.951 -1.955 -1.163
163 HA PHE 19 HA PHE 19 -0.603 -3.333 -2.023
164 HB2 PHE 19 2HB PHE 19 -2.576 -2.821 -3.486
165 HB3 PHE 19 1HB PHE 19 -2.081 -1.129 -3.465
166 HD1 PHE 19 HD1 PHE 19 -0.341 -0.354 -4.858
167 HD2 PHE 19 HD2 PHE 19 -1.065 -4.524 -4.451
168 HE1 PHE 19 HE1 PHE 19 1.187 -0.794 -6.740
169 HE2 PHE 19 HE2 PHE 19 0.461 -4.979 -6.334
170 HZ PHE 19 HZ PHE 19 1.590 -3.111 -7.480
171 H LEU 20 H LEU 20 -1.401 0.142 -1.822
172 HA LEU 20 HA LEU 20 1.271 0.923 -2.348
173 HB2 LEU 20 2HB LEU 20 -1.179 2.370 -1.466
174 HB3 LEU 20 1HB LEU 20 0.373 3.180 -1.386
175 HG LEU 20 HG LEU 20 0.616 2.543 -3.862
176 HD11 LEU 20 1HD1 LEU 20 -1.258 0.932 -3.841
177 HD12 LEU 20 2HD1 LEU 20 -1.399 2.165 -5.094
178 HD13 LEU 20 3HD1 LEU 20 -2.369 2.282 -3.627
179 HD21 LEU 20 1HD2 LEU 20 -1.410 4.562 -2.924
180 HD22 LEU 20 2HD2 LEU 20 -0.736 4.507 -4.552
181 HD23 LEU 20 3HD2 LEU 20 0.317 4.816 -3.172
182 H GLY 21 H GLY 21 -0.440 0.154 0.591
183 HA2 GLY 21 2HA GLY 21 1.350 1.291 2.437
184 HA3 GLY 21 1HA GLY 21 0.401 -0.166 2.715
185 H CYS 22 H CYS 22 1.439 -1.724 0.654
186 HA CYS 22 HA CYS 22 3.886 -2.647 1.784
187 HB2 CYS 22 2HB CYS 22 2.230 -4.200 0.845
188 HB3 CYS 22 1HB CYS 22 2.432 -3.474 -0.746
189 HG CYS 22 HG CYS 22 5.270 -4.217 -0.689
190 H LYS 23 H LYS 23 2.989 -0.609 -0.922
191 HA LYS 23 HA LYS 23 5.618 -0.769 -2.103
192 HB2 LYS 23 2HB LYS 23 3.597 -0.441 -3.501
193 HB3 LYS 23 1HB LYS 23 3.348 1.123 -2.736
194 HG2 LYS 23 2HG LYS 23 5.489 1.898 -3.632
195 HG3 LYS 23 1HG LYS 23 5.719 0.334 -4.413
196 HD2 LYS 23 2HD LYS 23 3.711 0.692 -5.749
197 HD3 LYS 23 1HD LYS 23 3.447 2.243 -4.949
198 HE2 LYS 23 2HE LYS 23 5.828 1.501 -6.648
199 HE3 LYS 23 1HE LYS 23 4.491 2.542 -7.138
200 HZ1 LYS 23 1HZ LYS 23 6.382 3.851 -6.452
201 HZ2 LYS 23 2HZ LYS 23 6.418 3.090 -4.948
202 HZ3 LYS 23 3HZ LYS 23 5.113 4.079 -5.363
203 H VAL 24 H VAL 24 3.945 1.307 0.122
204 HA VAL 24 HA VAL 24 6.131 3.203 0.082
205 HB VAL 24 HB VAL 24 3.590 3.150 1.695
206 HG11 VAL 24 1HG1 VAL 24 5.525 5.421 1.500
207 HG12 VAL 24 2HG1 VAL 24 5.477 4.301 2.854
208 HG13 VAL 24 3HG1 VAL 24 4.079 5.320 2.503
209 HG21 VAL 24 1HG2 VAL 24 3.021 5.076 0.237
210 HG22 VAL 24 2HG2 VAL 24 3.200 3.550 -0.631
211 HG23 VAL 24 3HG2 VAL 24 4.497 4.747 -0.677
212 H VAL 25 H VAL 25 5.916 0.232 1.171
213 HA VAL 25 HA VAL 25 7.643 0.687 3.474
214 HB VAL 25 HB VAL 25 6.081 -1.442 2.766
215 HG11 VAL 25 1HG1 VAL 25 8.895 -2.131 1.945
216 HG12 VAL 25 2HG1 VAL 25 7.452 -2.133 0.924
217 HG13 VAL 25 3HG1 VAL 25 7.615 -3.318 2.226
218 HG21 VAL 25 1HG2 VAL 25 6.952 -0.992 4.986
219 HG22 VAL 25 2HG2 VAL 25 8.550 -1.545 4.485
220 HG23 VAL 25 3HG2 VAL 25 7.199 -2.679 4.543
221 H VAL 26 H VAL 26 7.651 0.217 0.085
222 HA VAL 26 HA VAL 26 10.295 -0.721 -0.277
223 HB VAL 26 HB VAL 26 8.354 0.535 -2.195
224 HG11 VAL 26 1HG1 VAL 26 10.902 -0.987 -2.762
225 HG12 VAL 26 2HG1 VAL 26 10.620 0.729 -3.056
226 HG13 VAL 26 3HG1 VAL 26 9.726 -0.482 -3.974
227 HG21 VAL 26 1HG2 VAL 26 7.517 -1.525 -1.235
228 HG22 VAL 26 2HG2 VAL 26 9.019 -2.356 -1.637
229 HG23 VAL 26 3HG2 VAL 26 7.952 -1.791 -2.923
230 H LEU 27 H LEU 27 8.718 2.338 -0.860
231 HA LEU 27 HA LEU 27 10.952 3.659 -1.810
232 HB2 LEU 27 2HB LEU 27 9.726 5.646 -1.761
233 HB3 LEU 27 1HB LEU 27 8.592 4.363 -2.101
234 HG LEU 27 HG LEU 27 8.693 6.251 0.153
235 HD11 LEU 27 1HD1 LEU 27 6.499 4.703 -1.195
236 HD12 LEU 27 2HD1 LEU 27 7.032 6.327 -1.631
237 HD13 LEU 27 3HD1 LEU 27 6.286 6.034 -0.062
238 HD21 LEU 27 1HD2 LEU 27 9.039 4.385 1.524
239 HD22 LEU 27 2HD2 LEU 27 8.004 3.358 0.533
240 HD23 LEU 27 3HD2 LEU 27 7.292 4.637 1.523
241 H LEU 28 H LEU 28 10.157 2.821 1.410
242 HA LEU 28 HA LEU 28 11.817 4.680 2.774
243 HB2 LEU 28 2HB LEU 28 11.118 1.839 3.531
244 HB3 LEU 28 1HB LEU 28 11.790 3.046 4.607
245 HG LEU 28 HG LEU 28 9.068 3.171 3.313
246 HD11 LEU 28 1HD1 LEU 28 9.864 2.643 6.173
247 HD12 LEU 28 2HD1 LEU 28 9.236 1.448 5.038
248 HD13 LEU 28 3HD1 LEU 28 8.217 2.787 5.561
249 HD21 LEU 28 1HD2 LEU 28 9.979 5.390 3.643
250 HD22 LEU 28 2HD2 LEU 28 10.403 4.997 5.310
251 HD23 LEU 28 3HD2 LEU 28 8.709 5.082 4.826
252 H LYS 29 H LYS 29 12.340 1.480 1.379
253 HA LYS 29 HA LYS 29 15.140 1.465 2.109
254 HB2 LYS 29 2HB LYS 29 13.400 -0.413 0.522
255 HB3 LYS 29 1HB LYS 29 15.138 -0.632 0.627
256 HG2 LYS 29 2HG LYS 29 14.135 -2.057 2.238
257 HG3 LYS 29 1HG LYS 29 14.896 -0.731 3.113
258 HD2 LYS 29 2HD LYS 29 12.712 0.375 3.307
259 HD3 LYS 29 1HD LYS 29 11.960 -0.976 2.459
260 HE2 LYS 29 2HE LYS 29 13.433 -1.150 5.086
261 HE3 LYS 29 1HE LYS 29 11.682 -1.128 4.895
262 HZ1 LYS 29 1HZ LYS 29 11.860 -3.189 3.610
263 HZ2 LYS 29 2HZ LYS 29 12.457 -3.370 5.179
264 HZ3 LYS 29 3HZ LYS 29 13.530 -3.219 3.881
265 H ARG 30 H ARG 30 13.196 2.071 -0.752
266 HA ARG 30 HA ARG 30 15.650 2.581 -2.295
267 HB2 ARG 30 2HB ARG 30 12.841 2.129 -3.324
268 HB3 ARG 30 1HB ARG 30 14.296 2.285 -4.299
269 HG2 ARG 30 2HG ARG 30 13.682 0.061 -2.365
270 HG3 ARG 30 1HG ARG 30 13.611 -0.029 -4.125
271 HD2 ARG 30 2HD ARG 30 16.011 0.434 -4.243
272 HD3 ARG 30 1HD ARG 30 16.078 0.530 -2.485
273 HE ARG 30 HE ARG 30 14.986 -1.952 -3.284
274 HH11 ARG 30 1HH1 ARG 30 18.020 -0.217 -3.108
275 HH12 ARG 30 2HH1 ARG 30 18.983 -1.658 -3.009
276 HH21 ARG 30 1HH2 ARG 30 16.251 -3.849 -3.123
277 HH22 ARG 30 2HH2 ARG 30 17.975 -3.722 -3.010
Start of MODEL 2
1 H1 MET 1 1H MET 1 -15.533 17.053 13.696
2 H2 MET 1 2H MET 1 -14.320 15.879 13.598
3 H3 MET 1 3H MET 1 -15.347 15.923 14.939
4 HA MET 1 HA MET 1 -17.226 15.335 13.607
5 HB2 MET 1 2HB MET 1 -15.207 15.346 11.362
6 HB3 MET 1 1HB MET 1 -16.785 14.587 11.236
7 HG2 MET 1 2HG MET 1 -17.850 16.749 11.635
8 HG3 MET 1 1HG MET 1 -16.263 17.506 11.746
9 HE1 MET 1 1HE MET 1 -18.796 15.619 9.435
10 HE2 MET 1 2HE MET 1 -17.345 14.636 9.234
11 HE3 MET 1 3HE MET 1 -17.947 15.603 7.890
12 H ALA 2 H ALA 2 -17.763 13.147 13.209
13 HA ALA 2 HA ALA 2 -15.604 11.192 13.577
14 HB1 ALA 2 1HB ALA 2 -16.976 9.960 15.193
15 HB2 ALA 2 2HB ALA 2 -18.194 11.231 15.125
16 HB3 ALA 2 3HB ALA 2 -16.594 11.580 15.775
17 H THR 3 H THR 3 -17.076 12.045 11.258
18 HA THR 3 HA THR 3 -19.071 10.013 10.732
19 HB THR 3 HB THR 3 -17.991 12.122 8.856
20 HG1 THR 3 HG1 THR 3 -20.453 12.489 10.102
21 HG21 THR 3 1HG2 THR 3 -20.147 11.840 7.718
22 HG22 THR 3 2HG2 THR 3 -20.587 10.577 8.864
23 HG23 THR 3 3HG2 THR 3 -19.240 10.330 7.754
24 H LYS 4 H LYS 4 -18.627 8.118 9.823
25 HA LYS 4 HA LYS 4 -15.972 7.393 9.115
26 HB2 LYS 4 2HB LYS 4 -17.527 5.781 10.095
27 HB3 LYS 4 1HB LYS 4 -18.581 5.924 8.695
28 HG2 LYS 4 2HG LYS 4 -16.784 5.013 7.281
29 HG3 LYS 4 1HG LYS 4 -15.777 4.818 8.712
30 HD2 LYS 4 2HD LYS 4 -18.445 3.492 8.243
31 HD3 LYS 4 1HD LYS 4 -16.867 2.719 8.063
32 HE2 LYS 4 2HE LYS 4 -16.409 3.178 10.436
33 HE3 LYS 4 1HE LYS 4 -18.020 3.871 10.597
34 HZ1 LYS 4 1HZ LYS 4 -17.951 1.580 11.361
35 HZ2 LYS 4 2HZ LYS 4 -17.426 1.066 9.840
36 HZ3 LYS 4 3HZ LYS 4 -18.965 1.733 10.017
37 H HIS 5 H HIS 5 -15.044 8.120 7.355
38 HA HIS 5 HA HIS 5 -16.521 8.522 4.899
39 HB2 HIS 5 2HB HIS 5 -14.762 10.108 5.509
40 HB3 HIS 5 1HB HIS 5 -13.579 8.811 5.550
41 HD1 HIS 5 HD1 HIS 5 -15.294 11.158 3.257
42 HD2 HIS 5 HD2 HIS 5 -12.830 7.821 2.971
43 HE1 HIS 5 HE1 HIS 5 -14.476 11.120 0.883
44 HE2 HIS 5 HE2 HIS 5 -12.856 9.197 0.783
45 H GLY 6 H GLY 6 -16.895 6.915 3.522
46 HA2 GLY 6 2HA GLY 6 -15.493 5.411 2.013
47 HA3 GLY 6 1HA GLY 6 -15.025 4.638 3.520
48 H LYS 7 H LYS 7 -17.517 4.694 4.816
49 HA LYS 7 HA LYS 7 -19.223 3.298 5.163
50 HB2 LYS 7 2HB LYS 7 -19.706 4.018 2.323
51 HB3 LYS 7 1HB LYS 7 -20.843 3.133 3.305
52 HG2 LYS 7 2HG LYS 7 -19.812 5.871 3.966
53 HG3 LYS 7 1HG LYS 7 -21.334 5.553 3.135
54 HD2 LYS 7 2HD LYS 7 -20.632 4.514 5.880
55 HD3 LYS 7 1HD LYS 7 -21.586 5.965 5.576
56 HE2 LYS 7 2HE LYS 7 -23.258 4.631 4.403
57 HE3 LYS 7 1HE LYS 7 -22.301 3.177 4.673
58 HZ1 LYS 7 1HZ LYS 7 -22.615 3.407 7.027
59 HZ2 LYS 7 2HZ LYS 7 -24.124 3.430 6.268
60 HZ3 LYS 7 3HZ LYS 7 -23.439 4.870 6.825
61 H ASN 8 H ASN 8 -19.214 2.185 1.929
62 HA ASN 8 HA ASN 8 -17.992 -0.349 2.792
63 HB2 ASN 8 2HB ASN 8 -20.408 -0.588 2.377
64 HB3 ASN 8 1HB ASN 8 -20.191 0.026 0.744
65 HD21 ASN 8 1HD2 ASN 8 -19.300 -3.824 1.673
66 HD22 ASN 8 2HD2 ASN 8 -19.629 -2.652 2.898
67 H SER 9 H SER 9 -17.781 2.284 0.654
68 HA SER 9 HA SER 9 -16.603 0.895 -1.559
69 HB2 SER 9 2HB SER 9 -17.853 2.991 -1.899
70 HB3 SER 9 1HB SER 9 -16.660 3.858 -0.932
71 HG SER 9 HG SER 9 -15.081 3.145 -2.521
72 H TRP 10 H TRP 10 -15.478 2.099 1.423
73 HA TRP 10 HA TRP 10 -12.856 2.811 0.858
74 HB2 TRP 10 2HB TRP 10 -12.295 2.131 3.150
75 HB3 TRP 10 1HB TRP 10 -13.759 3.050 3.128
76 HD1 TRP 10 HD1 TRP 10 -16.076 1.641 3.574
77 HE1 TRP 10 HE1 TRP 10 -16.396 -0.617 4.812
78 HE3 TRP 10 HE3 TRP 10 -11.313 0.134 3.478
79 HZ2 TRP 10 HZ2 TRP 10 -14.688 -2.791 5.615
80 HZ3 TRP 10 HZ3 TRP 10 -10.683 -1.957 4.481
81 HH2 TRP 10 HH2 TRP 10 -12.318 -3.424 5.532
82 H LYS 11 H LYS 11 -14.315 -0.357 1.008
83 HA LYS 11 HA LYS 11 -12.078 -1.932 1.568
84 HB2 LYS 11 2HB LYS 11 -14.349 -2.583 -0.310
85 HB3 LYS 11 1HB LYS 11 -13.314 -3.698 0.546
86 HG2 LYS 11 2HG LYS 11 -14.225 -2.969 2.675
87 HG3 LYS 11 1HG LYS 11 -15.237 -1.791 1.837
88 HD2 LYS 11 2HD LYS 11 -16.499 -3.805 2.431
89 HD3 LYS 11 1HD LYS 11 -16.395 -3.598 0.680
90 HE2 LYS 11 2HE LYS 11 -14.577 -5.188 0.576
91 HE3 LYS 11 1HE LYS 11 -14.611 -5.361 2.334
92 HZ1 LYS 11 1HZ LYS 11 -16.854 -6.263 2.148
93 HZ2 LYS 11 2HZ LYS 11 -15.752 -7.188 1.264
94 HZ3 LYS 11 3HZ LYS 11 -16.792 -6.123 0.463
95 H THR 12 H THR 12 -13.311 -0.667 -1.391
96 HA THR 12 HA THR 12 -11.491 -1.894 -3.179
97 HB THR 12 HB THR 12 -13.692 -0.014 -3.097
98 HG1 THR 12 HG1 THR 12 -14.266 -1.855 -3.974
99 HG21 THR 12 1HG2 THR 12 -13.317 1.000 -5.301
100 HG22 THR 12 2HG2 THR 12 -11.710 0.276 -5.369
101 HG23 THR 12 3HG2 THR 12 -12.079 1.500 -4.152
102 H LEU 13 H LEU 13 -11.599 1.076 -1.360
103 HA LEU 13 HA LEU 13 -9.209 2.280 -2.376
104 HB2 LEU 13 2HB LEU 13 -10.281 3.916 -1.236
105 HB3 LEU 13 1HB LEU 13 -11.237 2.752 -0.339
106 HG LEU 13 HG LEU 13 -8.555 2.778 0.685
107 HD11 LEU 13 1HD1 LEU 13 -8.511 5.060 1.576
108 HD12 LEU 13 2HD1 LEU 13 -9.926 5.456 0.598
109 HD13 LEU 13 3HD1 LEU 13 -8.402 5.033 -0.185
110 HD21 LEU 13 1HD2 LEU 13 -9.700 3.300 2.798
111 HD22 LEU 13 2HD2 LEU 13 -10.499 1.977 1.943
112 HD23 LEU 13 3HD2 LEU 13 -11.193 3.601 1.910
113 H TYR 14 H TYR 14 -10.024 -0.112 -0.090
114 HA TYR 14 HA TYR 14 -7.812 0.206 1.666
115 HB2 TYR 14 2HB TYR 14 -10.092 -0.579 2.293
116 HB3 TYR 14 1HB TYR 14 -9.774 -2.071 1.422
117 HD1 TYR 14 HD1 TYR 14 -8.806 -0.020 4.301
118 HD2 TYR 14 HD2 TYR 14 -8.466 -3.781 2.346
119 HE1 TYR 14 HE1 TYR 14 -7.713 -0.952 6.297
120 HE2 TYR 14 HE2 TYR 14 -7.400 -4.734 4.332
121 HH TYR 14 HH TYR 14 -6.167 -4.014 6.298
122 H LEU 15 H LEU 15 -8.675 -2.068 -0.873
123 HA LEU 15 HA LEU 15 -6.493 -3.744 -0.531
124 HB2 LEU 15 2HB LEU 15 -8.854 -3.983 -1.636
125 HB3 LEU 15 1HB LEU 15 -8.012 -3.408 -3.076
126 HG LEU 15 HG LEU 15 -6.314 -5.147 -2.394
127 HD11 LEU 15 1HD1 LEU 15 -7.170 -7.109 -1.286
128 HD12 LEU 15 2HD1 LEU 15 -8.764 -6.367 -1.174
129 HD13 LEU 15 3HD1 LEU 15 -7.415 -5.691 -0.258
130 HD21 LEU 15 1HD2 LEU 15 -8.923 -5.892 -3.686
131 HD22 LEU 15 2HD2 LEU 15 -7.437 -6.833 -3.815
132 HD23 LEU 15 3HD2 LEU 15 -7.512 -5.207 -4.494
133 H LYS 16 H LYS 16 -7.134 -0.783 -2.134
134 HA LYS 16 HA LYS 16 -4.735 -0.658 -3.675
135 HB2 LYS 16 2HB LYS 16 -6.567 0.710 -4.374
136 HB3 LYS 16 1HB LYS 16 -6.813 1.332 -2.758
137 HG2 LYS 16 2HG LYS 16 -4.270 1.933 -4.189
138 HG3 LYS 16 1HG LYS 16 -5.739 2.828 -4.577
139 HD2 LYS 16 2HD LYS 16 -5.992 3.387 -2.188
140 HD3 LYS 16 1HD LYS 16 -4.471 2.560 -1.857
141 HE2 LYS 16 2HE LYS 16 -4.117 4.962 -2.009
142 HE3 LYS 16 1HE LYS 16 -3.302 4.132 -3.333
143 HZ1 LYS 16 1HZ LYS 16 -5.120 4.734 -4.793
144 HZ2 LYS 16 2HZ LYS 16 -4.459 6.119 -4.087
145 HZ3 LYS 16 3HZ LYS 16 -5.928 5.503 -3.523
146 H ILE 17 H ILE 17 -5.833 0.326 -0.486
147 HA ILE 17 HA ILE 17 -3.569 1.687 0.390
148 HB ILE 17 HB ILE 17 -5.902 0.379 1.674
149 HG12 ILE 17 2HG1 ILE 17 -4.702 3.144 1.869
150 HG13 ILE 17 1HG1 ILE 17 -6.049 2.673 0.837
151 HG21 ILE 17 1HG2 ILE 17 -4.044 -0.324 3.095
152 HG22 ILE 17 2HG2 ILE 17 -5.127 0.799 3.918
153 HG23 ILE 17 3HG2 ILE 17 -3.572 1.363 3.299
154 HD11 ILE 17 1HD1 ILE 17 -6.819 3.842 2.817
155 HD12 ILE 17 2HD1 ILE 17 -6.034 2.645 3.847
156 HD13 ILE 17 3HD1 ILE 17 -7.387 2.172 2.817
157 H SER 18 H SER 18 -4.479 -1.715 0.540
158 HA SER 18 HA SER 18 -2.199 -2.578 1.990
159 HB2 SER 18 2HB SER 18 -4.431 -3.810 1.630
160 HB3 SER 18 1HB SER 18 -3.772 -4.282 0.061
161 HG SER 18 HG SER 18 -2.801 -4.912 2.645
162 H PHE 19 H PHE 19 -2.705 -1.644 -1.251
163 HA PHE 19 HA PHE 19 -0.496 -3.199 -2.302
164 HB2 PHE 19 2HB PHE 19 -2.623 -2.779 -3.590
165 HB3 PHE 19 1HB PHE 19 -2.130 -1.093 -3.721
166 HD1 PHE 19 HD1 PHE 19 -1.254 -4.542 -4.627
167 HD2 PHE 19 HD2 PHE 19 -0.499 -0.413 -5.301
168 HE1 PHE 19 HE1 PHE 19 0.086 -5.117 -6.616
169 HE2 PHE 19 HE2 PHE 19 0.833 -0.974 -7.292
170 HZ PHE 19 HZ PHE 19 1.130 -3.330 -7.949
171 H LEU 20 H LEU 20 -1.336 0.286 -2.238
172 HA LEU 20 HA LEU 20 1.336 1.024 -2.913
173 HB2 LEU 20 2HB LEU 20 -1.079 2.576 -2.079
174 HB3 LEU 20 1HB LEU 20 0.486 3.358 -2.188
175 HG LEU 20 HG LEU 20 0.569 2.478 -4.586
176 HD11 LEU 20 1HD1 LEU 20 -2.392 2.245 -4.185
177 HD12 LEU 20 2HD1 LEU 20 -1.295 0.870 -4.215
178 HD13 LEU 20 3HD1 LEU 20 -1.469 1.892 -5.643
179 HD21 LEU 20 1HD2 LEU 20 -0.845 4.337 -5.412
180 HD22 LEU 20 2HD2 LEU 20 0.258 4.815 -4.123
181 HD23 LEU 20 3HD2 LEU 20 -1.450 4.561 -3.772
182 H GLY 21 H GLY 21 -0.374 0.565 0.100
183 HA2 GLY 21 2HA GLY 21 1.533 1.749 1.809
184 HA3 GLY 21 1HA GLY 21 0.477 0.406 2.235
185 H CYS 22 H CYS 22 1.417 -1.308 0.143
186 HA CYS 22 HA CYS 22 3.789 -2.359 1.372
187 HB2 CYS 22 2HB CYS 22 1.953 -3.816 0.549
188 HB3 CYS 22 1HB CYS 22 2.296 -3.291 -1.093
189 HG CYS 22 HG CYS 22 4.418 -5.092 0.904
190 H LYS 23 H LYS 23 3.073 -0.219 -1.220
191 HA LYS 23 HA LYS 23 5.690 -0.591 -2.436
192 HB2 LYS 23 2HB LYS 23 3.538 1.440 -3.040
193 HB3 LYS 23 1HB LYS 23 5.014 1.219 -3.966
194 HG2 LYS 23 2HG LYS 23 4.293 -1.086 -4.484
195 HG3 LYS 23 1HG LYS 23 2.773 -0.764 -3.649
196 HD2 LYS 23 2HD LYS 23 2.385 -0.454 -5.981
197 HD3 LYS 23 1HD LYS 23 2.409 1.144 -5.235
198 HE2 LYS 23 2HE LYS 23 3.645 1.204 -7.304
199 HE3 LYS 23 1HE LYS 23 4.760 1.406 -5.954
200 HZ1 LYS 23 1HZ LYS 23 5.693 -0.111 -7.537
201 HZ2 LYS 23 2HZ LYS 23 4.304 -1.075 -7.521
202 HZ3 LYS 23 3HZ LYS 23 5.284 -0.985 -6.147
203 H VAL 24 H VAL 24 4.018 1.623 -0.338
204 HA VAL 24 HA VAL 24 6.361 3.313 -0.147
205 HB VAL 24 HB VAL 24 3.656 3.510 1.164
206 HG11 VAL 24 1HG1 VAL 24 5.504 4.553 2.490
207 HG12 VAL 24 2HG1 VAL 24 4.225 5.652 1.978
208 HG13 VAL 24 3HG1 VAL 24 5.763 5.630 1.122
209 HG21 VAL 24 1HG2 VAL 24 3.372 5.402 -0.395
210 HG22 VAL 24 2HG2 VAL 24 3.575 3.852 -1.211
211 HG23 VAL 24 3HG2 VAL 24 4.927 4.983 -1.120
212 H VAL 25 H VAL 25 5.754 0.387 0.972
213 HA VAL 25 HA VAL 25 7.218 0.808 3.457
214 HB VAL 25 HB VAL 25 5.521 -1.138 2.898
215 HG11 VAL 25 1HG1 VAL 25 6.704 -3.206 2.224
216 HG12 VAL 25 2HG1 VAL 25 8.124 -2.225 1.842
217 HG13 VAL 25 3HG1 VAL 25 6.623 -1.994 0.942
218 HG21 VAL 25 1HG2 VAL 25 6.625 -0.855 5.031
219 HG22 VAL 25 2HG2 VAL 25 8.095 -1.587 4.390
220 HG23 VAL 25 3HG2 VAL 25 6.629 -2.553 4.560
221 H VAL 26 H VAL 26 7.636 0.253 0.124
222 HA VAL 26 HA VAL 26 10.206 -0.959 0.147
223 HB VAL 26 HB VAL 26 8.727 0.446 -2.064
224 HG11 VAL 26 1HG1 VAL 26 11.123 0.232 -2.522
225 HG12 VAL 26 2HG1 VAL 26 10.175 -0.800 -3.592
226 HG13 VAL 26 3HG1 VAL 26 11.031 -1.503 -2.221
227 HG21 VAL 26 1HG2 VAL 26 8.837 -2.486 -1.363
228 HG22 VAL 26 2HG2 VAL 26 8.068 -1.808 -2.797
229 HG23 VAL 26 3HG2 VAL 26 7.444 -1.421 -1.192
230 H LEU 27 H LEU 27 8.987 2.209 -0.676
231 HA LEU 27 HA LEU 27 11.446 3.320 -1.312
232 HB2 LEU 27 2HB LEU 27 10.395 5.400 -1.483
233 HB3 LEU 27 1HB LEU 27 9.220 4.206 -1.972
234 HG LEU 27 HG LEU 27 9.133 6.149 0.231
235 HD11 LEU 27 1HD1 LEU 27 7.761 6.255 -1.800
236 HD12 LEU 27 2HD1 LEU 27 6.783 6.119 -0.338
237 HD13 LEU 27 3HD1 LEU 27 7.027 4.709 -1.367
238 HD21 LEU 27 1HD2 LEU 27 8.149 3.333 0.566
239 HD22 LEU 27 2HD2 LEU 27 7.449 4.703 1.433
240 HD23 LEU 27 3HD2 LEU 27 9.148 4.288 1.664
241 H LEU 28 H LEU 28 10.118 2.590 1.733
242 HA LEU 28 HA LEU 28 11.811 4.302 3.294
243 HB2 LEU 28 2HB LEU 28 10.485 1.697 4.061
244 HB3 LEU 28 1HB LEU 28 11.177 2.862 5.168
245 HG LEU 28 HG LEU 28 8.764 3.322 3.419
246 HD11 LEU 28 1HD1 LEU 28 8.321 1.765 5.231
247 HD12 LEU 28 2HD1 LEU 28 7.529 3.311 5.529
248 HD13 LEU 28 3HD1 LEU 28 9.009 2.898 6.392
249 HD21 LEU 28 1HD2 LEU 28 10.007 5.380 3.767
250 HD22 LEU 28 2HD2 LEU 28 10.060 5.078 5.503
251 HD23 LEU 28 3HD2 LEU 28 8.518 5.399 4.711
252 H LYS 29 H LYS 29 11.923 0.968 2.131
253 HA LYS 29 HA LYS 29 14.392 0.316 3.403
254 HB2 LYS 29 2HB LYS 29 13.196 -1.010 0.961
255 HB3 LYS 29 1HB LYS 29 14.360 -1.702 2.079
256 HG2 LYS 29 2HG LYS 29 11.461 -1.091 2.589
257 HG3 LYS 29 1HG LYS 29 12.243 -2.672 2.541
258 HD2 LYS 29 2HD LYS 29 13.583 -2.016 4.523
259 HD3 LYS 29 1HD LYS 29 12.677 -0.501 4.586
260 HE2 LYS 29 2HE LYS 29 11.696 -2.004 6.162
261 HE3 LYS 29 1HE LYS 29 10.586 -1.847 4.801
262 HZ1 LYS 29 1HZ LYS 29 12.455 -4.103 5.292
263 HZ2 LYS 29 2HZ LYS 29 11.472 -3.944 3.926
264 HZ3 LYS 29 3HZ LYS 29 10.770 -4.140 5.450
265 H ARG 30 H ARG 30 13.469 1.687 0.345
266 HA ARG 30 HA ARG 30 14.576 2.702 -1.326
267 HB2 ARG 30 2HB ARG 30 16.694 2.740 0.784
268 HB3 ARG 30 1HB ARG 30 16.985 3.417 -0.813
269 HG2 ARG 30 2HG ARG 30 14.810 4.270 1.087
270 HG3 ARG 30 1HG ARG 30 16.341 5.111 0.841
271 HD2 ARG 30 2HD ARG 30 15.753 5.487 -1.507
272 HD3 ARG 30 1HD ARG 30 14.224 4.642 -1.260
273 HE ARG 30 HE ARG 30 14.506 6.773 0.587
274 HH11 ARG 30 1HH1 ARG 30 13.764 6.132 -2.776
275 HH12 ARG 30 2HH1 ARG 30 12.806 7.566 -2.968
276 HH21 ARG 30 1HH2 ARG 30 13.258 8.657 0.336
277 HH22 ARG 30 2HH2 ARG 30 12.531 9.013 -1.200
Start of MODEL 3
1 H1 MET 1 1H MET 1 -12.591 5.609 17.530
2 H2 MET 1 2H MET 1 -12.234 4.812 16.085
3 H3 MET 1 3H MET 1 -12.882 3.951 17.380
4 HA MET 1 HA MET 1 -14.541 4.365 15.689
5 HB2 MET 1 2HB MET 1 -14.947 5.895 18.269
6 HB3 MET 1 1HB MET 1 -16.236 5.457 17.159
7 HG2 MET 1 2HG MET 1 -15.748 3.092 17.531
8 HG3 MET 1 1HG MET 1 -14.462 3.538 18.648
9 HE1 MET 1 1HE MET 1 -18.045 5.181 18.207
10 HE2 MET 1 2HE MET 1 -18.959 4.266 19.406
11 HE3 MET 1 3HE MET 1 -18.309 3.451 17.984
12 H ALA 2 H ALA 2 -12.481 6.173 14.876
13 HA ALA 2 HA ALA 2 -13.859 8.740 14.652
14 HB1 ALA 2 1HB ALA 2 -11.743 9.614 13.804
15 HB2 ALA 2 2HB ALA 2 -11.049 7.994 13.867
16 HB3 ALA 2 3HB ALA 2 -11.525 8.807 15.357
17 H THR 3 H THR 3 -13.431 5.899 12.980
18 HA THR 3 HA THR 3 -14.130 7.174 10.425
19 HB THR 3 HB THR 3 -13.478 4.800 9.529
20 HG1 THR 3 HG1 THR 3 -11.534 4.739 11.491
21 HG21 THR 3 1HG2 THR 3 -12.310 6.875 8.963
22 HG22 THR 3 2HG2 THR 3 -11.172 5.551 9.204
23 HG23 THR 3 3HG2 THR 3 -11.388 6.769 10.461
24 H LYS 4 H LYS 4 -15.868 6.351 9.247
25 HA LYS 4 HA LYS 4 -17.858 5.033 10.917
26 HB2 LYS 4 2HB LYS 4 -18.116 6.394 8.230
27 HB3 LYS 4 1HB LYS 4 -19.452 5.726 9.155
28 HG2 LYS 4 2HG LYS 4 -18.936 7.306 10.980
29 HG3 LYS 4 1HG LYS 4 -17.674 8.014 9.972
30 HD2 LYS 4 2HD LYS 4 -20.604 7.885 9.256
31 HD3 LYS 4 1HD LYS 4 -19.780 9.302 9.910
32 HE2 LYS 4 2HE LYS 4 -18.318 9.364 7.961
33 HE3 LYS 4 1HE LYS 4 -19.098 7.921 7.319
34 HZ1 LYS 4 1HZ LYS 4 -19.958 9.912 6.276
35 HZ2 LYS 4 2HZ LYS 4 -20.416 10.540 7.775
36 HZ3 LYS 4 3HZ LYS 4 -21.173 9.155 7.174
37 H HIS 5 H HIS 5 -18.380 2.965 10.687
38 HA HIS 5 HA HIS 5 -17.211 1.443 8.496
39 HB2 HIS 5 2HB HIS 5 -17.190 0.710 10.945
40 HB3 HIS 5 1HB HIS 5 -18.903 0.366 10.750
41 HD1 HIS 5 HD1 HIS 5 -19.465 -1.921 9.962
42 HD2 HIS 5 HD2 HIS 5 -15.531 -0.892 9.098
43 HE1 HIS 5 HE1 HIS 5 -18.410 -4.004 9.031
44 HE2 HIS 5 HE2 HIS 5 -15.989 -3.404 8.679
45 H GLY 6 H GLY 6 -19.851 3.266 8.769
46 HA2 GLY 6 2HA GLY 6 -21.834 1.583 7.565
47 HA3 GLY 6 1HA GLY 6 -21.882 3.340 7.671
48 H LYS 7 H LYS 7 -19.158 3.449 6.436
49 HA LYS 7 HA LYS 7 -19.926 3.711 3.716
50 HB2 LYS 7 2HB LYS 7 -18.115 5.016 4.868
51 HB3 LYS 7 1HB LYS 7 -17.132 3.563 4.873
52 HG2 LYS 7 2HG LYS 7 -16.346 4.768 3.050
53 HG3 LYS 7 1HG LYS 7 -17.434 3.580 2.328
54 HD2 LYS 7 2HD LYS 7 -19.200 5.266 2.215
55 HD3 LYS 7 1HD LYS 7 -18.121 6.451 2.951
56 HE2 LYS 7 2HE LYS 7 -16.560 6.106 1.031
57 HE3 LYS 7 1HE LYS 7 -17.790 5.093 0.280
58 HZ1 LYS 7 1HZ LYS 7 -17.892 7.327 -0.581
59 HZ2 LYS 7 2HZ LYS 7 -18.076 7.965 0.977
60 HZ3 LYS 7 3HZ LYS 7 -19.295 7.001 0.306
61 H ASN 8 H ASN 8 -19.199 2.457 1.922
62 HA ASN 8 HA ASN 8 -18.397 -0.292 2.612
63 HB2 ASN 8 2HB ASN 8 -20.702 -0.414 2.014
64 HB3 ASN 8 1HB ASN 8 -20.469 0.644 0.626
65 HD21 ASN 8 1HD2 ASN 8 -19.736 -3.329 0.361
66 HD22 ASN 8 2HD2 ASN 8 -20.086 -2.569 1.877
67 H SER 9 H SER 9 -18.329 2.266 0.176
68 HA SER 9 HA SER 9 -16.899 0.757 -1.736
69 HB2 SER 9 2HB SER 9 -17.220 3.753 -1.562
70 HB3 SER 9 1HB SER 9 -16.772 2.832 -2.997
71 HG SER 9 HG SER 9 -18.828 1.782 -2.829
72 H TRP 10 H TRP 10 -15.756 1.914 1.118
73 HA TRP 10 HA TRP 10 -13.244 2.929 0.205
74 HB2 TRP 10 2HB TRP 10 -12.513 2.688 2.540
75 HB3 TRP 10 1HB TRP 10 -13.969 3.601 2.408
76 HD1 TRP 10 HD1 TRP 10 -16.257 2.345 3.253
77 HE1 TRP 10 HE1 TRP 10 -16.492 0.492 5.060
78 HE3 TRP 10 HE3 TRP 10 -11.521 0.757 3.214
79 HZ2 TRP 10 HZ2 TRP 10 -14.748 -1.412 6.285
80 HZ3 TRP 10 HZ3 TRP 10 -10.828 -1.021 4.689
81 HH2 TRP 10 HH2 TRP 10 -12.400 -2.126 6.195
82 H LYS 11 H LYS 11 -14.467 -0.252 1.052
83 HA LYS 11 HA LYS 11 -11.994 -1.458 1.623
84 HB2 LYS 11 2HB LYS 11 -14.649 -2.436 0.692
85 HB3 LYS 11 1HB LYS 11 -13.269 -3.501 0.641
86 HG2 LYS 11 2HG LYS 11 -12.932 -3.308 3.002
87 HG3 LYS 11 1HG LYS 11 -14.164 -2.052 3.107
88 HD2 LYS 11 2HD LYS 11 -14.734 -4.857 2.175
89 HD3 LYS 11 1HD LYS 11 -14.874 -4.352 3.859
90 HE2 LYS 11 2HE LYS 11 -16.514 -2.644 3.191
91 HE3 LYS 11 1HE LYS 11 -16.390 -3.193 1.520
92 HZ1 LYS 11 1HZ LYS 11 -17.291 -5.300 2.124
93 HZ2 LYS 11 2HZ LYS 11 -18.318 -4.108 2.745
94 HZ3 LYS 11 3HZ LYS 11 -17.250 -4.920 3.771
95 H THR 12 H THR 12 -13.659 -0.834 -1.346
96 HA THR 12 HA THR 12 -11.932 -2.128 -3.152
97 HB THR 12 HB THR 12 -14.052 -0.080 -3.178
98 HG1 THR 12 HG1 THR 12 -15.026 -1.817 -3.806
99 HG21 THR 12 1HG2 THR 12 -12.286 -0.486 -5.598
100 HG22 THR 12 2HG2 THR 12 -12.411 0.994 -4.645
101 HG23 THR 12 3HG2 THR 12 -13.802 0.416 -5.561
102 H LEU 13 H LEU 13 -11.793 0.892 -1.457
103 HA LEU 13 HA LEU 13 -9.464 1.924 -2.853
104 HB2 LEU 13 2HB LEU 13 -10.400 3.799 -1.998
105 HB3 LEU 13 1HB LEU 13 -11.441 2.861 -0.945
106 HG LEU 13 HG LEU 13 -8.743 2.961 0.090
107 HD11 LEU 13 1HD1 LEU 13 -8.721 5.337 0.671
108 HD12 LEU 13 2HD1 LEU 13 -10.146 5.591 -0.336
109 HD13 LEU 13 3HD1 LEU 13 -8.624 5.090 -1.073
110 HD21 LEU 13 1HD2 LEU 13 -9.894 3.696 2.114
111 HD22 LEU 13 2HD2 LEU 13 -10.739 2.324 1.393
112 HD23 LEU 13 3HD2 LEU 13 -11.375 3.959 1.196
113 H TYR 14 H TYR 14 -10.223 -0.098 -0.218
114 HA TYR 14 HA TYR 14 -8.050 0.616 1.467
115 HB2 TYR 14 2HB TYR 14 -10.256 -0.171 2.273
116 HB3 TYR 14 1HB TYR 14 -9.881 -1.770 1.639
117 HD1 TYR 14 HD1 TYR 14 -8.251 -3.161 2.674
118 HD2 TYR 14 HD2 TYR 14 -9.116 0.701 4.204
119 HE1 TYR 14 HE1 TYR 14 -6.994 -3.719 4.683
120 HE2 TYR 14 HE2 TYR 14 -7.851 0.173 6.250
121 HH TYR 14 HH TYR 14 -5.791 -2.493 6.512
122 H LEU 15 H LEU 15 -8.729 -2.086 -0.680
123 HA LEU 15 HA LEU 15 -6.360 -3.465 0.146
124 HB2 LEU 15 2HB LEU 15 -7.973 -4.077 -2.314
125 HB3 LEU 15 1HB LEU 15 -6.971 -5.148 -1.351
126 HG LEU 15 HG LEU 15 -9.431 -3.887 -0.211
127 HD11 LEU 15 1HD1 LEU 15 -10.627 -5.948 -0.727
128 HD12 LEU 15 2HD1 LEU 15 -9.222 -6.550 -1.605
129 HD13 LEU 15 3HD1 LEU 15 -10.096 -5.139 -2.200
130 HD21 LEU 15 1HD2 LEU 15 -9.297 -5.725 1.364
131 HD22 LEU 15 2HD2 LEU 15 -7.785 -4.819 1.348
132 HD23 LEU 15 3HD2 LEU 15 -7.892 -6.371 0.518
133 H LYS 16 H LYS 16 -7.259 -1.073 -2.087
134 HA LYS 16 HA LYS 16 -4.901 -1.110 -3.688
135 HB2 LYS 16 2HB LYS 16 -6.816 0.027 -4.562
136 HB3 LYS 16 1HB LYS 16 -7.065 0.903 -3.067
137 HG2 LYS 16 2HG LYS 16 -4.552 1.397 -4.563
138 HG3 LYS 16 1HG LYS 16 -6.060 2.066 -5.195
139 HD2 LYS 16 2HD LYS 16 -6.489 3.101 -3.005
140 HD3 LYS 16 1HD LYS 16 -4.947 2.474 -2.424
141 HE2 LYS 16 2HE LYS 16 -3.762 3.786 -4.097
142 HE3 LYS 16 1HE LYS 16 -5.293 4.372 -4.746
143 HZ1 LYS 16 1HZ LYS 16 -4.293 4.880 -1.997
144 HZ2 LYS 16 2HZ LYS 16 -5.730 5.478 -2.659
145 HZ3 LYS 16 3HZ LYS 16 -4.243 5.986 -3.275
146 H ILE 17 H ILE 17 -5.981 0.341 -0.686
147 HA ILE 17 HA ILE 17 -3.741 1.892 -0.091
148 HB ILE 17 HB ILE 17 -6.008 0.732 1.434
149 HG12 ILE 17 2HG1 ILE 17 -4.879 3.524 1.193
150 HG13 ILE 17 1HG1 ILE 17 -6.227 2.871 0.266
151 HG21 ILE 17 1HG2 ILE 17 -5.214 1.468 3.572
152 HG22 ILE 17 2HG2 ILE 17 -3.697 2.018 2.856
153 HG23 ILE 17 3HG2 ILE 17 -4.084 0.298 2.889
154 HD11 ILE 17 1HD1 ILE 17 -7.525 2.641 2.319
155 HD12 ILE 17 2HD1 ILE 17 -6.995 4.305 2.068
156 HD13 ILE 17 3HD1 ILE 17 -6.170 3.287 3.247
157 H SER 18 H SER 18 -4.505 -1.490 0.481
158 HA SER 18 HA SER 18 -2.217 -2.206 1.947
159 HB2 SER 18 2HB SER 18 -4.290 -3.625 1.533
160 HB3 SER 18 1HB SER 18 -3.644 -3.946 -0.082
161 HG SER 18 HG SER 18 -1.856 -4.933 0.865
162 H PHE 19 H PHE 19 -2.866 -1.954 -1.492
163 HA PHE 19 HA PHE 19 -0.514 -3.182 -2.427
164 HB2 PHE 19 2HB PHE 19 -2.625 -2.751 -3.739
165 HB3 PHE 19 1HB PHE 19 -2.135 -1.064 -3.848
166 HD1 PHE 19 HD1 PHE 19 -0.119 -0.443 -5.120
167 HD2 PHE 19 HD2 PHE 19 -1.632 -4.414 -5.061
168 HE1 PHE 19 HE1 PHE 19 1.200 -0.966 -7.134
169 HE2 PHE 19 HE2 PHE 19 -0.314 -4.952 -7.076
170 HZ PHE 19 HZ PHE 19 1.105 -3.228 -8.112
171 H LEU 20 H LEU 20 -1.369 0.287 -2.368
172 HA LEU 20 HA LEU 20 1.263 1.129 -2.971
173 HB2 LEU 20 2HB LEU 20 -1.180 2.515 -1.954
174 HB3 LEU 20 1HB LEU 20 0.350 3.367 -2.013
175 HG LEU 20 HG LEU 20 0.450 2.815 -4.467
176 HD11 LEU 20 1HD1 LEU 20 -1.138 0.943 -4.399
177 HD12 LEU 20 2HD1 LEU 20 -1.564 2.160 -5.604
178 HD13 LEU 20 3HD1 LEU 20 -2.440 2.087 -4.074
179 HD21 LEU 20 1HD2 LEU 20 -1.152 4.570 -5.100
180 HD22 LEU 20 2HD2 LEU 20 -0.179 5.021 -3.700
181 HD23 LEU 20 3HD2 LEU 20 -1.847 4.497 -3.482
182 H GLY 21 H GLY 21 -0.368 0.384 0.018
183 HA2 GLY 21 2HA GLY 21 1.493 1.524 1.805
184 HA3 GLY 21 1HA GLY 21 0.467 0.136 2.144
185 H CYS 22 H CYS 22 1.486 -1.452 -0.026
186 HA CYS 22 HA CYS 22 3.847 -2.521 1.181
187 HB2 CYS 22 2HB CYS 22 2.127 -3.937 0.090
188 HB3 CYS 22 1HB CYS 22 2.540 -3.217 -1.463
189 HG CYS 22 HG CYS 22 3.601 -5.949 -0.608
190 H LYS 23 H LYS 23 3.157 -0.300 -1.419
191 HA LYS 23 HA LYS 23 5.864 -0.377 -2.426
192 HB2 LYS 23 2HB LYS 23 3.637 1.600 -2.937
193 HB3 LYS 23 1HB LYS 23 5.187 1.601 -3.761
194 HG2 LYS 23 2HG LYS 23 4.678 -0.646 -4.650
195 HG3 LYS 23 1HG LYS 23 3.088 -0.555 -3.888
196 HD2 LYS 23 2HD LYS 23 2.896 0.057 -6.217
197 HD3 LYS 23 1HD LYS 23 2.612 1.480 -5.215
198 HE2 LYS 23 2HE LYS 23 4.934 2.194 -5.601
199 HE3 LYS 23 1HE LYS 23 5.185 0.783 -6.628
200 HZ1 LYS 23 1HZ LYS 23 3.493 1.620 -8.129
201 HZ2 LYS 23 2HZ LYS 23 4.718 2.765 -7.924
202 HZ3 LYS 23 3HZ LYS 23 3.237 2.964 -7.140
203 H VAL 24 H VAL 24 3.996 1.508 -0.175
204 HA VAL 24 HA VAL 24 6.190 3.309 0.302
205 HB VAL 24 HB VAL 24 3.527 3.014 1.683
206 HG11 VAL 24 1HG1 VAL 24 3.928 5.045 2.839
207 HG12 VAL 24 2HG1 VAL 24 5.447 5.290 1.984
208 HG13 VAL 24 3HG1 VAL 24 5.300 3.981 3.153
209 HG21 VAL 24 1HG2 VAL 24 3.034 5.127 0.490
210 HG22 VAL 24 2HG2 VAL 24 3.328 3.763 -0.587
211 HG23 VAL 24 3HG2 VAL 24 4.590 4.969 -0.331
212 H VAL 25 H VAL 25 5.961 0.206 0.917
213 HA VAL 25 HA VAL 25 7.400 0.343 3.448
214 HB VAL 25 HB VAL 25 5.932 -1.662 2.378
215 HG11 VAL 25 1HG1 VAL 25 7.479 -3.472 1.686
216 HG12 VAL 25 2HG1 VAL 25 8.786 -2.281 1.643
217 HG13 VAL 25 3HG1 VAL 25 7.410 -2.125 0.546
218 HG21 VAL 25 1HG2 VAL 25 8.288 -1.969 4.227
219 HG22 VAL 25 2HG2 VAL 25 6.989 -3.146 4.029
220 HG23 VAL 25 3HG2 VAL 25 6.635 -1.545 4.679
221 H VAL 26 H VAL 26 7.846 0.392 0.064
222 HA VAL 26 HA VAL 26 10.535 -0.540 -0.059
223 HB VAL 26 HB VAL 26 8.883 0.948 -2.082
224 HG11 VAL 26 1HG1 VAL 26 11.396 -0.689 -2.448
225 HG12 VAL 26 2HG1 VAL 26 11.270 1.065 -2.572
226 HG13 VAL 26 3HG1 VAL 26 10.442 0.037 -3.743
227 HG21 VAL 26 1HG2 VAL 26 7.818 -1.138 -1.442
228 HG22 VAL 26 2HG2 VAL 26 9.318 -2.022 -1.728
229 HG23 VAL 26 3HG2 VAL 26 8.466 -1.268 -3.076
230 H LEU 27 H LEU 27 8.957 2.539 -0.501
231 HA LEU 27 HA LEU 27 11.241 4.025 -0.971
232 HB2 LEU 27 2HB LEU 27 9.919 5.947 -0.862
233 HB3 LEU 27 1HB LEU 27 8.885 4.680 -1.470
234 HG LEU 27 HG LEU 27 8.664 6.283 0.989
235 HD11 LEU 27 1HD1 LEU 27 6.713 4.889 -0.823
236 HD12 LEU 27 2HD1 LEU 27 7.200 6.584 -0.921
237 HD13 LEU 27 3HD1 LEU 27 6.292 6.002 0.477
238 HD21 LEU 27 1HD2 LEU 27 8.949 4.252 2.125
239 HD22 LEU 27 2HD2 LEU 27 8.033 3.353 0.916
240 HD23 LEU 27 3HD2 LEU 27 7.204 4.480 1.996
241 H LEU 28 H LEU 28 10.087 2.716 1.956
242 HA LEU 28 HA LEU 28 11.517 4.417 3.757
243 HB2 LEU 28 2HB LEU 28 10.675 1.536 4.100
244 HB3 LEU 28 1HB LEU 28 11.193 2.612 5.381
245 HG LEU 28 HG LEU 28 8.693 2.955 3.726
246 HD11 LEU 28 1HD1 LEU 28 7.515 2.293 5.737
247 HD12 LEU 28 2HD1 LEU 28 9.043 2.056 6.581
248 HD13 LEU 28 3HD1 LEU 28 8.614 1.016 5.223
249 HD21 LEU 28 1HD2 LEU 28 9.699 4.463 6.141
250 HD22 LEU 28 2HD2 LEU 28 8.124 4.678 5.377
251 HD23 LEU 28 3HD2 LEU 28 9.595 5.087 4.495
252 H LYS 29 H LYS 29 12.165 1.348 2.142
253 HA LYS 29 HA LYS 29 14.717 0.902 3.301
254 HB2 LYS 29 2HB LYS 29 13.831 -0.096 0.597
255 HB3 LYS 29 1HB LYS 29 14.972 -0.845 1.700
256 HG2 LYS 29 2HG LYS 29 12.004 -0.596 2.139
257 HG3 LYS 29 1HG LYS 29 12.859 -2.049 1.627
258 HD2 LYS 29 2HD LYS 29 14.109 -2.038 3.743
259 HD3 LYS 29 1HD LYS 29 13.214 -0.602 4.251
260 HE2 LYS 29 2HE LYS 29 11.121 -1.853 4.121
261 HE3 LYS 29 1HE LYS 29 12.000 -3.286 3.592
262 HZ1 LYS 29 1HZ LYS 29 13.162 -3.308 5.709
263 HZ2 LYS 29 2HZ LYS 29 11.490 -3.379 5.947
264 HZ3 LYS 29 3HZ LYS 29 12.319 -1.931 6.212
265 H ARG 30 H ARG 30 13.575 2.455 0.361
266 HA ARG 30 HA ARG 30 16.228 3.672 0.010
267 HB2 ARG 30 2HB ARG 30 14.559 2.293 -2.086
268 HB3 ARG 30 1HB ARG 30 15.754 3.508 -2.513
269 HG2 ARG 30 2HG ARG 30 17.517 2.171 -1.554
270 HG3 ARG 30 1HG ARG 30 16.344 0.977 -0.993
271 HD2 ARG 30 2HD ARG 30 16.770 1.718 -3.885
272 HD3 ARG 30 1HD ARG 30 17.539 0.343 -3.092
273 HE ARG 30 HE ARG 30 14.843 0.054 -2.630
274 HH11 ARG 30 1HH1 ARG 30 16.895 0.251 -5.463
275 HH12 ARG 30 2HH1 ARG 30 15.870 -0.757 -6.429
276 HH21 ARG 30 1HH2 ARG 30 13.498 -1.274 -3.891
277 HH22 ARG 30 2HH2 ARG 30 13.927 -1.620 -5.536
Start of MODEL 4
1 H1 MET 1 1H MET 1 -19.427 1.527 12.453
2 H2 MET 1 2H MET 1 -20.038 0.807 11.054
3 H3 MET 1 3H MET 1 -18.749 0.092 11.875
4 HA MET 1 HA MET 1 -20.763 -1.105 12.297
5 HB2 MET 1 2HB MET 1 -20.749 -1.029 14.762
6 HB3 MET 1 1HB MET 1 -19.127 -1.061 14.088
7 HG2 MET 1 2HG MET 1 -18.833 1.274 14.526
8 HG3 MET 1 1HG MET 1 -20.517 1.441 15.012
9 HE1 MET 1 1HE MET 1 -17.839 2.346 16.699
10 HE2 MET 1 2HE MET 1 -18.385 1.936 18.326
11 HE3 MET 1 3HE MET 1 -19.493 2.710 17.197
12 H ALA 2 H ALA 2 -21.059 2.334 12.759
13 HA ALA 2 HA ALA 2 -23.959 1.975 13.131
14 HB1 ALA 2 1HB ALA 2 -23.988 4.049 14.416
15 HB2 ALA 2 2HB ALA 2 -22.240 4.197 14.228
16 HB3 ALA 2 3HB ALA 2 -22.918 2.858 15.155
17 H THR 3 H THR 3 -22.123 2.398 10.747
18 HA THR 3 HA THR 3 -22.871 4.996 9.746
19 HB THR 3 HB THR 3 -21.560 2.725 8.246
20 HG1 THR 3 HG1 THR 3 -20.127 4.870 9.382
21 HG21 THR 3 1HG2 THR 3 -20.652 4.544 6.858
22 HG22 THR 3 2HG2 THR 3 -21.567 5.714 7.806
23 HG23 THR 3 3HG2 THR 3 -22.414 4.518 6.824
24 H LYS 4 H LYS 4 -24.575 5.433 8.454
25 HA LYS 4 HA LYS 4 -26.510 3.386 7.921
26 HB2 LYS 4 2HB LYS 4 -26.408 6.270 7.014
27 HB3 LYS 4 1HB LYS 4 -27.791 5.200 6.835
28 HG2 LYS 4 2HG LYS 4 -28.000 5.031 9.250
29 HG3 LYS 4 1HG LYS 4 -26.580 6.048 9.456
30 HD2 LYS 4 2HD LYS 4 -28.523 7.408 9.777
31 HD3 LYS 4 1HD LYS 4 -27.778 7.864 8.243
32 HE2 LYS 4 2HE LYS 4 -29.403 6.518 7.038
33 HE3 LYS 4 1HE LYS 4 -30.124 5.999 8.559
34 HZ1 LYS 4 1HZ LYS 4 -30.025 8.804 7.583
35 HZ2 LYS 4 2HZ LYS 4 -30.759 8.275 9.011
36 HZ3 LYS 4 3HZ LYS 4 -31.379 7.792 7.514
37 H HIS 5 H HIS 5 -25.004 2.035 6.676
38 HA HIS 5 HA HIS 5 -24.289 1.100 4.739
39 HB2 HIS 5 2HB HIS 5 -26.663 1.364 4.113
40 HB3 HIS 5 1HB HIS 5 -26.314 2.966 3.478
41 HD1 HIS 5 HD1 HIS 5 -25.505 -0.668 2.795
42 HD2 HIS 5 HD2 HIS 5 -25.501 3.011 0.866
43 HE1 HIS 5 HE1 HIS 5 -25.020 -1.174 0.379
44 HE2 HIS 5 HE2 HIS 5 -24.877 1.079 -0.738
45 H GLY 6 H GLY 6 -22.244 2.214 5.221
46 HA2 GLY 6 2HA GLY 6 -21.383 3.720 2.913
47 HA3 GLY 6 1HA GLY 6 -21.374 4.645 4.406
48 H LYS 7 H LYS 7 -20.763 1.349 4.922
49 HA LYS 7 HA LYS 7 -17.867 1.852 4.902
50 HB2 LYS 7 2HB LYS 7 -19.520 0.424 6.978
51 HB3 LYS 7 1HB LYS 7 -17.778 0.255 6.872
52 HG2 LYS 7 2HG LYS 7 -19.293 2.795 7.389
53 HG3 LYS 7 1HG LYS 7 -18.378 1.871 8.571
54 HD2 LYS 7 2HD LYS 7 -17.275 3.287 6.145
55 HD3 LYS 7 1HD LYS 7 -17.122 3.813 7.821
56 HE2 LYS 7 2HE LYS 7 -16.065 1.213 6.751
57 HE3 LYS 7 1HE LYS 7 -15.103 2.678 6.911
58 HZ1 LYS 7 1HZ LYS 7 -16.414 1.190 9.120
59 HZ2 LYS 7 2HZ LYS 7 -15.558 2.636 9.304
60 HZ3 LYS 7 3HZ LYS 7 -14.755 1.240 8.793
61 H ASN 8 H ASN 8 -18.447 0.874 2.671
62 HA ASN 8 HA ASN 8 -17.763 -1.967 2.882
63 HB2 ASN 8 2HB ASN 8 -20.182 -1.878 2.475
64 HB3 ASN 8 1HB ASN 8 -19.910 -0.880 1.052
65 HD21 ASN 8 1HD2 ASN 8 -20.090 -3.821 -0.776
66 HD22 ASN 8 2HD2 ASN 8 -20.812 -2.303 -0.367
67 H SER 9 H SER 9 -18.158 0.785 0.681
68 HA SER 9 HA SER 9 -16.593 -0.359 -1.380
69 HB2 SER 9 2HB SER 9 -18.401 1.364 -1.691
70 HB3 SER 9 1HB SER 9 -17.285 2.558 -1.035
71 HG SER 9 HG SER 9 -16.974 1.014 -3.396
72 H TRP 10 H TRP 10 -15.676 1.145 1.508
73 HA TRP 10 HA TRP 10 -13.295 2.386 0.687
74 HB2 TRP 10 2HB TRP 10 -12.467 1.978 2.981
75 HB3 TRP 10 1HB TRP 10 -14.012 2.743 2.961
76 HD1 TRP 10 HD1 TRP 10 -16.153 1.140 3.662
77 HE1 TRP 10 HE1 TRP 10 -16.140 -0.886 5.294
78 HE3 TRP 10 HE3 TRP 10 -11.254 0.147 3.493
79 HZ2 TRP 10 HZ2 TRP 10 -14.165 -2.666 6.352
80 HZ3 TRP 10 HZ3 TRP 10 -10.334 -1.656 4.805
81 HH2 TRP 10 HH2 TRP 10 -11.747 -3.075 6.202
82 H LYS 11 H LYS 11 -14.071 -0.990 1.255
83 HA LYS 11 HA LYS 11 -11.471 -1.937 1.672
84 HB2 LYS 11 2HB LYS 11 -13.996 -3.127 0.638
85 HB3 LYS 11 1HB LYS 11 -12.495 -4.007 0.487
86 HG2 LYS 11 2HG LYS 11 -12.162 -4.023 2.846
87 HG3 LYS 11 1HG LYS 11 -13.518 -2.922 3.083
88 HD2 LYS 11 2HD LYS 11 -13.822 -5.653 1.858
89 HD3 LYS 11 1HD LYS 11 -13.953 -5.356 3.592
90 HE2 LYS 11 2HE LYS 11 -15.758 -3.736 3.144
91 HE3 LYS 11 1HE LYS 11 -15.660 -4.134 1.431
92 HZ1 LYS 11 1HZ LYS 11 -16.327 -6.365 1.897
93 HZ2 LYS 11 2HZ LYS 11 -17.439 -5.323 2.630
94 HZ3 LYS 11 3HZ LYS 11 -16.266 -6.101 3.567
95 H THR 12 H THR 12 -13.217 -1.184 -1.209
96 HA THR 12 HA THR 12 -11.377 -2.101 -3.133
97 HB THR 12 HB THR 12 -13.723 -0.335 -2.950
98 HG1 THR 12 HG1 THR 12 -13.884 -1.767 -5.085
99 HG21 THR 12 1HG2 THR 12 -13.567 0.479 -5.233
100 HG22 THR 12 2HG2 THR 12 -11.965 -0.241 -5.404
101 HG23 THR 12 3HG2 THR 12 -12.222 1.089 -4.272
102 H LEU 13 H LEU 13 -11.769 0.939 -1.394
103 HA LEU 13 HA LEU 13 -9.536 2.325 -2.497
104 HB2 LEU 13 2HB LEU 13 -10.691 3.898 -1.340
105 HB3 LEU 13 1HB LEU 13 -11.528 2.678 -0.401
106 HG LEU 13 HG LEU 13 -8.838 2.953 0.561
107 HD11 LEU 13 1HD1 LEU 13 -8.968 5.242 1.403
108 HD12 LEU 13 2HD1 LEU 13 -10.454 5.494 0.487
109 HD13 LEU 13 3HD1 LEU 13 -8.935 5.204 -0.359
110 HD21 LEU 13 1HD2 LEU 13 -11.528 3.543 1.813
111 HD22 LEU 13 2HD2 LEU 13 -10.003 3.402 2.687
112 HD23 LEU 13 3HD2 LEU 13 -10.678 1.997 1.859
113 H TYR 14 H TYR 14 -10.011 -0.015 -0.022
114 HA TYR 14 HA TYR 14 -7.763 0.683 1.548
115 HB2 TYR 14 2HB TYR 14 -9.849 -0.323 2.427
116 HB3 TYR 14 1HB TYR 14 -9.414 -1.837 1.637
117 HD1 TYR 14 HD1 TYR 14 -7.601 -3.166 2.428
118 HD2 TYR 14 HD2 TYR 14 -8.652 0.478 4.335
119 HE1 TYR 14 HE1 TYR 14 -6.134 -3.760 4.275
120 HE2 TYR 14 HE2 TYR 14 -7.167 -0.088 6.223
121 HH TYR 14 HH TYR 14 -6.207 -2.154 7.265
122 H LEU 15 H LEU 15 -8.410 -1.874 -0.793
123 HA LEU 15 HA LEU 15 -5.882 -3.120 -0.251
124 HB2 LEU 15 2HB LEU 15 -7.683 -3.684 -2.590
125 HB3 LEU 15 1HB LEU 15 -6.486 -4.729 -1.844
126 HG LEU 15 HG LEU 15 -8.918 -3.809 -0.362
127 HD11 LEU 15 1HD1 LEU 15 -9.923 -5.975 -0.898
128 HD12 LEU 15 2HD1 LEU 15 -8.567 -6.336 -1.966
129 HD13 LEU 15 3HD1 LEU 15 -9.659 -5.007 -2.348
130 HD21 LEU 15 1HD2 LEU 15 -7.036 -6.128 0.042
131 HD22 LEU 15 2HD2 LEU 15 -8.416 -5.716 1.061
132 HD23 LEU 15 3HD2 LEU 15 -7.033 -4.626 0.966
133 H LYS 16 H LYS 16 -7.032 -0.557 -2.059
134 HA LYS 16 HA LYS 16 -4.824 -0.349 -3.876
135 HB2 LYS 16 2HB LYS 16 -6.841 0.798 -4.479
136 HB3 LYS 16 1HB LYS 16 -6.990 1.512 -2.888
137 HG2 LYS 16 2HG LYS 16 -4.660 2.224 -4.604
138 HG3 LYS 16 1HG LYS 16 -6.239 2.959 -4.901
139 HD2 LYS 16 2HD LYS 16 -6.299 3.618 -2.498
140 HD3 LYS 16 1HD LYS 16 -4.647 3.024 -2.343
141 HE2 LYS 16 2HE LYS 16 -4.643 5.432 -2.667
142 HE3 LYS 16 1HE LYS 16 -3.921 4.627 -4.060
143 HZ1 LYS 16 1HZ LYS 16 -5.992 4.892 -5.255
144 HZ2 LYS 16 2HZ LYS 16 -5.436 6.395 -4.721
145 HZ3 LYS 16 3HZ LYS 16 -6.710 5.632 -3.917
146 H ILE 17 H ILE 17 -5.766 0.816 -0.707
147 HA ILE 17 HA ILE 17 -3.543 2.370 -0.082
148 HB ILE 17 HB ILE 17 -5.647 0.941 1.487
149 HG12 ILE 17 2HG1 ILE 17 -4.878 3.850 1.241
150 HG13 ILE 17 1HG1 ILE 17 -6.183 3.057 0.369
151 HG21 ILE 17 1HG2 ILE 17 -4.800 1.753 3.584
152 HG22 ILE 17 2HG2 ILE 17 -3.404 2.474 2.772
153 HG23 ILE 17 3HG2 ILE 17 -3.599 0.720 2.805
154 HD11 ILE 17 1HD1 ILE 17 -7.026 4.349 2.236
155 HD12 ILE 17 2HD1 ILE 17 -6.019 3.426 3.349
156 HD13 ILE 17 3HD1 ILE 17 -7.328 2.630 2.479
157 H SER 18 H SER 18 -4.296 -1.019 0.585
158 HA SER 18 HA SER 18 -1.925 -1.724 1.898
159 HB2 SER 18 2HB SER 18 -4.110 -3.077 1.611
160 HB3 SER 18 1HB SER 18 -3.426 -3.583 0.057
161 HG SER 18 HG SER 18 -2.335 -5.000 1.132
162 H PHE 19 H PHE 19 -2.786 -1.542 -1.473
163 HA PHE 19 HA PHE 19 -0.583 -2.916 -2.546
164 HB2 PHE 19 2HB PHE 19 -2.696 -2.463 -3.756
165 HB3 PHE 19 1HB PHE 19 -2.274 -0.754 -3.813
166 HD1 PHE 19 HD1 PHE 19 -0.834 0.088 -5.457
167 HD2 PHE 19 HD2 PHE 19 -1.255 -4.106 -4.899
168 HE1 PHE 19 HE1 PHE 19 0.415 -0.306 -7.551
169 HE2 PHE 19 HE2 PHE 19 -0.009 -4.515 -6.993
170 HZ PHE 19 HZ PHE 19 0.828 -2.613 -8.317
171 H LEU 20 H LEU 20 -1.251 0.582 -2.442
172 HA LEU 20 HA LEU 20 1.330 1.305 -3.346
173 HB2 LEU 20 2HB LEU 20 -0.754 2.907 -1.875
174 HB3 LEU 20 1HB LEU 20 0.703 3.588 -2.571
175 HG LEU 20 HG LEU 20 -1.608 2.333 -4.036
176 HD11 LEU 20 1HD1 LEU 20 -1.939 4.640 -3.309
177 HD12 LEU 20 2HD1 LEU 20 -1.796 4.535 -5.064
178 HD13 LEU 20 3HD1 LEU 20 -0.435 5.109 -4.101
179 HD21 LEU 20 1HD2 LEU 20 -0.358 2.798 -6.087
180 HD22 LEU 20 2HD2 LEU 20 0.462 1.617 -5.067
181 HD23 LEU 20 3HD2 LEU 20 1.036 3.281 -5.121
182 H GLY 21 H GLY 21 -0.100 0.898 -0.183
183 HA2 GLY 21 2HA GLY 21 2.003 1.927 1.372
184 HA3 GLY 21 1HA GLY 21 0.852 0.706 1.899
185 H CYS 22 H CYS 22 1.545 -1.234 -0.096
186 HA CYS 22 HA CYS 22 3.772 -2.473 1.148
187 HB2 CYS 22 2HB CYS 22 1.935 -3.766 0.172
188 HB3 CYS 22 1HB CYS 22 2.345 -3.168 -1.431
189 HG CYS 22 HG CYS 22 5.103 -4.396 -0.593
190 H LYS 23 H LYS 23 3.439 -0.329 -1.550
191 HA LYS 23 HA LYS 23 6.126 -0.927 -2.495
192 HB2 LYS 23 2HB LYS 23 4.323 -0.506 -4.140
193 HB3 LYS 23 1HB LYS 23 4.147 1.121 -3.501
194 HG2 LYS 23 2HG LYS 23 6.206 1.810 -4.359
195 HG3 LYS 23 1HG LYS 23 6.766 0.154 -4.586
196 HD2 LYS 23 2HD LYS 23 6.195 1.175 -6.725
197 HD3 LYS 23 1HD LYS 23 5.113 -0.167 -6.359
198 HE2 LYS 23 2HE LYS 23 3.824 1.646 -7.254
199 HE3 LYS 23 1HE LYS 23 3.439 1.467 -5.543
200 HZ1 LYS 23 1HZ LYS 23 5.291 3.483 -6.693
201 HZ2 LYS 23 2HZ LYS 23 4.905 3.325 -5.057
202 HZ3 LYS 23 3HZ LYS 23 3.714 3.785 -6.165
203 H VAL 24 H VAL 24 4.364 1.538 -0.767
204 HA VAL 24 HA VAL 24 6.760 3.152 -0.526
205 HB VAL 24 HB VAL 24 3.962 3.586 0.500
206 HG11 VAL 24 1HG1 VAL 24 4.572 5.812 1.090
207 HG12 VAL 24 2HG1 VAL 24 6.199 5.567 0.468
208 HG13 VAL 24 3HG1 VAL 24 5.674 4.701 1.905
209 HG21 VAL 24 1HG2 VAL 24 5.505 4.741 -1.798
210 HG22 VAL 24 2HG2 VAL 24 3.926 5.326 -1.260
211 HG23 VAL 24 3HG2 VAL 24 4.092 3.686 -1.889
212 H VAL 25 H VAL 25 5.913 0.389 0.841
213 HA VAL 25 HA VAL 25 7.157 1.029 3.398
214 HB VAL 25 HB VAL 25 5.416 -0.872 2.954
215 HG11 VAL 25 1HG1 VAL 25 6.427 -3.053 2.471
216 HG12 VAL 25 2HG1 VAL 25 7.966 -2.253 2.137
217 HG13 VAL 25 3HG1 VAL 25 6.566 -1.938 1.110
218 HG21 VAL 25 1HG2 VAL 25 7.899 -1.375 4.580
219 HG22 VAL 25 2HG2 VAL 25 6.355 -2.204 4.772
220 HG23 VAL 25 3HG2 VAL 25 6.473 -0.476 5.099
221 H VAL 26 H VAL 26 7.859 0.158 0.202
222 HA VAL 26 HA VAL 26 10.356 -1.143 0.604
223 HB VAL 26 HB VAL 26 9.057 -0.032 -1.867
224 HG11 VAL 26 1HG1 VAL 26 10.651 -1.379 -3.143
225 HG12 VAL 26 2HG1 VAL 26 11.432 -1.889 -1.648
226 HG13 VAL 26 3HG1 VAL 26 11.492 -0.196 -2.138
227 HG21 VAL 26 1HG2 VAL 26 9.234 -2.848 -0.796
228 HG22 VAL 26 2HG2 VAL 26 8.538 -2.392 -2.351
229 HG23 VAL 26 3HG2 VAL 26 7.792 -1.835 -0.852
230 H LEU 27 H LEU 27 9.376 1.928 -0.757
231 HA LEU 27 HA LEU 27 11.921 2.897 -1.212
232 HB2 LEU 27 2HB LEU 27 10.981 4.994 -1.658
233 HB3 LEU 27 1HB LEU 27 9.802 3.802 -2.152
234 HG LEU 27 HG LEU 27 9.604 5.923 -0.125
235 HD11 LEU 27 1HD1 LEU 27 7.570 4.441 -1.769
236 HD12 LEU 27 2HD1 LEU 27 8.434 5.888 -2.298
237 HD13 LEU 27 3HD1 LEU 27 7.337 5.968 -0.919
238 HD21 LEU 27 1HD2 LEU 27 7.771 4.636 1.029
239 HD22 LEU 27 2HD2 LEU 27 9.427 4.178 1.427
240 HD23 LEU 27 3HD2 LEU 27 8.482 3.179 0.325
241 H LEU 28 H LEU 28 10.292 2.469 1.738
242 HA LEU 28 HA LEU 28 11.924 4.294 3.264
243 HB2 LEU 28 2HB LEU 28 10.165 2.020 4.186
244 HB3 LEU 28 1HB LEU 28 10.898 3.224 5.224
245 HG LEU 28 HG LEU 28 8.775 3.729 3.145
246 HD11 LEU 28 1HD1 LEU 28 7.932 2.581 5.112
247 HD12 LEU 28 2HD1 LEU 28 7.360 4.249 5.067
248 HD13 LEU 28 3HD1 LEU 28 8.673 3.796 6.154
249 HD21 LEU 28 1HD2 LEU 28 10.279 5.634 3.306
250 HD22 LEU 28 2HD2 LEU 28 10.117 5.632 5.062
251 HD23 LEU 28 3HD2 LEU 28 8.726 6.014 4.050
252 H LYS 29 H LYS 29 11.621 0.700 3.290
253 HA LYS 29 HA LYS 29 14.482 0.578 3.824
254 HB2 LYS 29 2HB LYS 29 14.362 -0.692 5.807
255 HB3 LYS 29 1HB LYS 29 13.271 0.666 6.034
256 HG2 LYS 29 2HG LYS 29 12.425 -2.119 5.249
257 HG3 LYS 29 1HG LYS 29 12.364 -1.458 6.885
258 HD2 LYS 29 2HD LYS 29 11.018 -0.112 4.584
259 HD3 LYS 29 1HD LYS 29 10.217 -1.408 5.482
260 HE2 LYS 29 2HE LYS 29 11.264 1.181 6.632
261 HE3 LYS 29 1HE LYS 29 9.573 0.803 6.314
262 HZ1 LYS 29 1HZ LYS 29 9.990 0.452 8.610
263 HZ2 LYS 29 2HZ LYS 29 11.354 -0.493 8.298
264 HZ3 LYS 29 3HZ LYS 29 9.817 -1.075 7.903
265 H ARG 30 H ARG 30 12.402 -0.312 1.764
266 HA ARG 30 HA ARG 30 11.960 -2.053 0.388
267 HB2 ARG 30 2HB ARG 30 14.769 -2.675 1.237
268 HB3 ARG 30 1HB ARG 30 13.930 -3.612 0.008
269 HG2 ARG 30 2HG ARG 30 13.677 -1.604 -1.353
270 HG3 ARG 30 1HG ARG 30 14.493 -0.654 -0.110
271 HD2 ARG 30 2HD ARG 30 15.688 -2.951 -1.658
272 HD3 ARG 30 1HD ARG 30 16.013 -1.241 -1.933
273 HE ARG 30 HE ARG 30 16.571 -1.884 0.749
274 HH11 ARG 30 1HH1 ARG 30 17.827 -2.445 -2.467
275 HH12 ARG 30 2HH1 ARG 30 19.470 -2.596 -1.940
276 HH21 ARG 30 1HH2 ARG 30 18.720 -2.100 1.455
277 HH22 ARG 30 2HH2 ARG 30 19.982 -2.392 0.301
Start of MODEL 5
1 H1 MET 1 1H MET 1 -26.742 -7.597 7.762
2 H2 MET 1 2H MET 1 -25.992 -8.012 6.308
3 H3 MET 1 3H MET 1 -26.869 -9.174 7.166
4 HA MET 1 HA MET 1 -28.099 -8.381 5.254
5 HB2 MET 1 2HB MET 1 -29.169 -7.625 7.973
6 HB3 MET 1 1HB MET 1 -30.154 -7.615 6.521
7 HG2 MET 1 2HG MET 1 -28.762 -10.001 7.710
8 HG3 MET 1 1HG MET 1 -30.487 -9.654 7.780
9 HE1 MET 1 1HE MET 1 -31.032 -12.083 6.804
10 HE2 MET 1 2HE MET 1 -29.302 -12.422 6.773
11 HE3 MET 1 3HE MET 1 -30.288 -12.725 5.341
12 H ALA 2 H ALA 2 -29.796 -6.435 4.898
13 HA ALA 2 HA ALA 2 -29.995 -4.337 4.047
14 HB1 ALA 2 1HB ALA 2 -29.377 -2.492 5.506
15 HB2 ALA 2 2HB ALA 2 -28.375 -3.572 6.476
16 HB3 ALA 2 3HB ALA 2 -30.125 -3.792 6.434
17 H THR 3 H THR 3 -28.012 -5.811 2.857
18 HA THR 3 HA THR 3 -26.186 -5.701 1.509
19 HB THR 3 HB THR 3 -26.341 -2.707 1.673
20 HG1 THR 3 HG1 THR 3 -28.348 -4.356 1.024
21 HG21 THR 3 1HG2 THR 3 -25.666 -2.843 -0.672
22 HG22 THR 3 2HG2 THR 3 -25.721 -4.603 -0.593
23 HG23 THR 3 3HG2 THR 3 -24.526 -3.716 0.351
24 H LYS 4 H LYS 4 -25.594 -6.107 4.091
25 HA LYS 4 HA LYS 4 -23.922 -6.136 5.623
26 HB2 LYS 4 2HB LYS 4 -22.345 -4.910 3.355
27 HB3 LYS 4 1HB LYS 4 -21.639 -5.545 4.835
28 HG2 LYS 4 2HG LYS 4 -22.487 -7.765 4.301
29 HG3 LYS 4 1HG LYS 4 -23.219 -7.135 2.825
30 HD2 LYS 4 2HD LYS 4 -20.272 -7.141 3.469
31 HD3 LYS 4 1HD LYS 4 -21.088 -8.260 2.377
32 HE2 LYS 4 2HE LYS 4 -21.764 -6.343 0.975
33 HE3 LYS 4 1HE LYS 4 -20.860 -5.271 2.042
34 HZ1 LYS 4 1HZ LYS 4 -19.550 -5.815 0.121
35 HZ2 LYS 4 2HZ LYS 4 -19.738 -7.470 0.396
36 HZ3 LYS 4 3HZ LYS 4 -18.847 -6.528 1.483
37 H HIS 5 H HIS 5 -25.685 -3.833 5.447
38 HA HIS 5 HA HIS 5 -26.056 -1.936 6.629
39 HB2 HIS 5 2HB HIS 5 -24.657 -3.064 8.382
40 HB3 HIS 5 1HB HIS 5 -23.251 -2.235 7.726
41 HD1 HIS 5 HD1 HIS 5 -22.681 -0.185 8.977
42 HD2 HIS 5 HD2 HIS 5 -26.751 -0.998 9.114
43 HE1 HIS 5 HE1 HIS 5 -23.679 1.608 10.429
44 HE2 HIS 5 HE2 HIS 5 -26.164 1.217 10.300
45 H GLY 6 H GLY 6 -24.090 -2.204 4.108
46 HA2 GLY 6 2HA GLY 6 -23.460 -0.623 2.541
47 HA3 GLY 6 1HA GLY 6 -23.989 0.639 3.650
48 H LYS 7 H LYS 7 -21.995 1.736 2.980
49 HA LYS 7 HA LYS 7 -19.849 2.398 3.297
50 HB2 LYS 7 2HB LYS 7 -20.981 2.127 5.687
51 HB3 LYS 7 1HB LYS 7 -19.747 0.894 5.867
52 HG2 LYS 7 2HG LYS 7 -19.009 3.645 4.962
53 HG3 LYS 7 1HG LYS 7 -19.301 3.313 6.664
54 HD2 LYS 7 2HD LYS 7 -17.310 1.847 4.938
55 HD3 LYS 7 1HD LYS 7 -16.910 3.175 6.026
56 HE2 LYS 7 2HE LYS 7 -17.774 1.845 7.916
57 HE3 LYS 7 1HE LYS 7 -18.084 0.509 6.812
58 HZ1 LYS 7 1HZ LYS 7 -15.721 0.415 6.318
59 HZ2 LYS 7 2HZ LYS 7 -15.995 0.220 7.975
60 HZ3 LYS 7 3HZ LYS 7 -15.424 1.697 7.383
61 H ASN 8 H ASN 8 -19.728 0.535 1.544
62 HA ASN 8 HA ASN 8 -17.728 -1.432 2.457
63 HB2 ASN 8 2HB ASN 8 -19.756 -1.726 0.231
64 HB3 ASN 8 1HB ASN 8 -18.530 -2.914 0.649
65 HD21 ASN 8 1HD2 ASN 8 -20.316 -3.283 3.945
66 HD22 ASN 8 2HD2 ASN 8 -18.796 -2.588 3.506
67 H SER 9 H SER 9 -18.157 1.308 0.647
68 HA SER 9 HA SER 9 -16.797 0.699 -1.749
69 HB2 SER 9 2HB SER 9 -17.064 3.385 -0.385
70 HB3 SER 9 1HB SER 9 -16.686 3.110 -2.085
71 HG SER 9 HG SER 9 -18.740 2.234 -2.368
72 H TRP 10 H TRP 10 -15.719 1.592 1.419
73 HA TRP 10 HA TRP 10 -13.191 2.587 0.781
74 HB2 TRP 10 2HB TRP 10 -12.548 2.049 3.071
75 HB3 TRP 10 1HB TRP 10 -14.105 2.800 3.046
76 HD1 TRP 10 HD1 TRP 10 -16.261 1.062 3.442
77 HE1 TRP 10 HE1 TRP 10 -16.287 -1.132 4.838
78 HE3 TRP 10 HE3 TRP 10 -11.327 0.289 3.581
79 HZ2 TRP 10 HZ2 TRP 10 -14.306 -2.954 5.844
80 HZ3 TRP 10 HZ3 TRP 10 -10.421 -1.619 4.747
81 HH2 TRP 10 HH2 TRP 10 -11.868 -3.239 5.859
82 H LYS 11 H LYS 11 -14.285 -0.746 1.061
83 HA LYS 11 HA LYS 11 -11.853 -1.950 1.750
84 HB2 LYS 11 2HB LYS 11 -13.964 -3.084 -0.084
85 HB3 LYS 11 1HB LYS 11 -12.780 -3.954 0.861
86 HG2 LYS 11 2HG LYS 11 -13.829 -3.231 2.921
87 HG3 LYS 11 1HG LYS 11 -14.994 -2.280 1.997
88 HD2 LYS 11 2HD LYS 11 -15.946 -4.411 2.728
89 HD3 LYS 11 1HD LYS 11 -15.854 -4.315 0.970
90 HE2 LYS 11 2HE LYS 11 -13.831 -5.638 0.980
91 HE3 LYS 11 1HE LYS 11 -13.853 -5.685 2.747
92 HZ1 LYS 11 1HZ LYS 11 -15.842 -6.913 0.912
93 HZ2 LYS 11 2HZ LYS 11 -16.008 -6.858 2.594
94 HZ3 LYS 11 3HZ LYS 11 -14.735 -7.728 1.900
95 H THR 12 H THR 12 -13.180 -1.136 -1.343
96 HA THR 12 HA THR 12 -11.150 -2.230 -2.973
97 HB THR 12 HB THR 12 -13.592 -0.726 -3.108
98 HG1 THR 12 HG1 THR 12 -12.498 -2.206 -5.255
99 HG21 THR 12 1HG2 THR 12 -13.252 0.320 -5.314
100 HG22 THR 12 2HG2 THR 12 -11.534 -0.074 -5.229
101 HG23 THR 12 3HG2 THR 12 -12.241 1.056 -4.073
102 H LEU 13 H LEU 13 -11.773 0.931 -1.571
103 HA LEU 13 HA LEU 13 -9.512 2.343 -2.500
104 HB2 LEU 13 2HB LEU 13 -10.862 3.825 -1.429
105 HB3 LEU 13 1HB LEU 13 -11.599 2.559 -0.465
106 HG LEU 13 HG LEU 13 -8.956 3.055 0.520
107 HD11 LEU 13 1HD1 LEU 13 -10.701 5.499 0.314
108 HD12 LEU 13 2HD1 LEU 13 -9.142 5.261 -0.474
109 HD13 LEU 13 3HD1 LEU 13 -9.235 5.367 1.284
110 HD21 LEU 13 1HD2 LEU 13 -10.805 2.053 1.806
111 HD22 LEU 13 2HD2 LEU 13 -11.650 3.605 1.764
112 HD23 LEU 13 3HD2 LEU 13 -10.114 3.463 2.616
113 H TYR 14 H TYR 14 -10.061 0.039 -0.014
114 HA TYR 14 HA TYR 14 -7.877 0.759 1.639
115 HB2 TYR 14 2HB TYR 14 -9.991 -0.195 2.459
116 HB3 TYR 14 1HB TYR 14 -9.598 -1.717 1.668
117 HD1 TYR 14 HD1 TYR 14 -8.709 0.587 4.357
118 HD2 TYR 14 HD2 TYR 14 -8.000 -3.186 2.556
119 HE1 TYR 14 HE1 TYR 14 -7.336 -0.074 6.292
120 HE2 TYR 14 HE2 TYR 14 -6.652 -3.888 4.464
121 HH TYR 14 HH TYR 14 -5.398 -2.922 6.304
122 H LEU 15 H LEU 15 -8.510 -1.924 -0.572
123 HA LEU 15 HA LEU 15 -6.028 -3.192 0.011
124 HB2 LEU 15 2HB LEU 15 -7.712 -3.635 -2.443
125 HB3 LEU 15 1HB LEU 15 -6.579 -4.736 -1.678
126 HG LEU 15 HG LEU 15 -9.067 -3.820 -0.290
127 HD11 LEU 15 1HD1 LEU 15 -8.688 -6.272 -1.999
128 HD12 LEU 15 2HD1 LEU 15 -9.742 -4.906 -2.355
129 HD13 LEU 15 3HD1 LEU 15 -10.082 -5.946 -0.971
130 HD21 LEU 15 1HD2 LEU 15 -7.287 -4.744 1.109
131 HD22 LEU 15 2HD2 LEU 15 -7.261 -6.198 0.112
132 HD23 LEU 15 3HD2 LEU 15 -8.692 -5.809 1.065
133 H LYS 16 H LYS 16 -7.049 -0.602 -1.883
134 HA LYS 16 HA LYS 16 -4.773 -0.462 -3.621
135 HB2 LYS 16 2HB LYS 16 -6.812 0.613 -4.328
136 HB3 LYS 16 1HB LYS 16 -6.969 1.445 -2.798
137 HG2 LYS 16 2HG LYS 16 -4.585 2.028 -4.460
138 HG3 LYS 16 1HG LYS 16 -6.149 2.691 -4.945
139 HD2 LYS 16 2HD LYS 16 -6.416 3.643 -2.697
140 HD3 LYS 16 1HD LYS 16 -4.825 3.019 -2.257
141 HE2 LYS 16 2HE LYS 16 -3.770 4.418 -3.922
142 HE3 LYS 16 1HE LYS 16 -5.337 4.957 -4.517
143 HZ1 LYS 16 1HZ LYS 16 -4.236 5.498 -1.814
144 HZ2 LYS 16 2HZ LYS 16 -5.741 6.016 -2.384
145 HZ3 LYS 16 3HZ LYS 16 -4.323 6.608 -3.085
146 H ILE 17 H ILE 17 -5.842 0.876 -0.546
147 HA ILE 17 HA ILE 17 -3.634 2.449 0.077
148 HB ILE 17 HB ILE 17 -5.807 1.116 1.617
149 HG12 ILE 17 2HG1 ILE 17 -4.886 3.987 1.426
150 HG13 ILE 17 1HG1 ILE 17 -6.176 3.263 0.471
151 HG21 ILE 17 1HG2 ILE 17 -3.564 2.558 3.000
152 HG22 ILE 17 2HG2 ILE 17 -3.789 0.811 2.989
153 HG23 ILE 17 3HG2 ILE 17 -5.002 1.847 3.742
154 HD11 ILE 17 1HD1 ILE 17 -7.055 4.586 2.311
155 HD12 ILE 17 2HD1 ILE 17 -6.172 3.587 3.464
156 HD13 ILE 17 3HD1 ILE 17 -7.468 2.882 2.500
157 H SER 18 H SER 18 -4.378 -0.925 0.766
158 HA SER 18 HA SER 18 -2.029 -1.595 2.160
159 HB2 SER 18 2HB SER 18 -3.647 -3.424 0.370
160 HB3 SER 18 1HB SER 18 -2.662 -3.886 1.761
161 HG SER 18 HG SER 18 -4.163 -2.439 2.981
162 H PHE 19 H PHE 19 -2.725 -1.202 -1.205
163 HA PHE 19 HA PHE 19 -0.539 -2.743 -2.200
164 HB2 PHE 19 2HB PHE 19 -2.683 -2.237 -3.436
165 HB3 PHE 19 1HB PHE 19 -2.088 -0.594 -3.652
166 HD1 PHE 19 HD1 PHE 19 -0.211 -0.135 -5.126
167 HD2 PHE 19 HD2 PHE 19 -1.742 -4.072 -4.613
168 HE1 PHE 19 HE1 PHE 19 1.000 -0.861 -7.146
169 HE2 PHE 19 HE2 PHE 19 -0.530 -4.811 -6.634
170 HZ PHE 19 HZ PHE 19 0.843 -3.204 -7.899
171 H LEU 20 H LEU 20 -1.193 0.768 -2.287
172 HA LEU 20 HA LEU 20 1.457 1.413 -3.034
173 HB2 LEU 20 2HB LEU 20 -0.853 3.002 -2.004
174 HB3 LEU 20 1HB LEU 20 0.719 3.750 -2.184
175 HG LEU 20 HG LEU 20 0.664 3.056 -4.604
176 HD11 LEU 20 1HD1 LEU 20 -2.252 2.566 -4.066
177 HD12 LEU 20 2HD1 LEU 20 -1.052 1.294 -4.274
178 HD13 LEU 20 3HD1 LEU 20 -1.397 2.401 -5.604
179 HD21 LEU 20 1HD2 LEU 20 -1.522 4.904 -3.656
180 HD22 LEU 20 2HD2 LEU 20 -0.820 4.873 -5.273
181 HD23 LEU 20 3HD2 LEU 20 0.172 5.338 -3.889
182 H GLY 21 H GLY 21 -0.107 0.949 0.053
183 HA2 GLY 21 2HA GLY 21 1.970 2.027 1.658
184 HA3 GLY 21 1HA GLY 21 0.789 0.828 2.170
185 H CYS 22 H CYS 22 1.607 -0.922 -0.102
186 HA CYS 22 HA CYS 22 3.828 -2.239 1.192
187 HB2 CYS 22 2HB CYS 22 1.914 -3.533 0.295
188 HB3 CYS 22 1HB CYS 22 2.318 -2.980 -1.326
189 HG CYS 22 HG CYS 22 5.033 -4.169 -0.837
190 H LYS 23 H LYS 23 3.304 -0.043 -1.399
191 HA LYS 23 HA LYS 23 5.891 -0.590 -2.594
192 HB2 LYS 23 2HB LYS 23 3.893 0.106 -3.956
193 HB3 LYS 23 1HB LYS 23 3.992 1.683 -3.186
194 HG2 LYS 23 2HG LYS 23 6.206 2.026 -4.136
195 HG3 LYS 23 1HG LYS 23 6.141 0.429 -4.882
196 HD2 LYS 23 2HD LYS 23 4.136 1.159 -6.148
197 HD3 LYS 23 1HD LYS 23 4.335 2.774 -5.467
198 HE2 LYS 23 2HE LYS 23 6.562 2.919 -6.495
199 HE3 LYS 23 1HE LYS 23 6.339 1.314 -7.188
200 HZ1 LYS 23 1HZ LYS 23 4.405 2.193 -8.397
201 HZ2 LYS 23 2HZ LYS 23 5.843 2.966 -8.830
202 HZ3 LYS 23 3HZ LYS 23 4.745 3.739 -7.804
203 H VAL 24 H VAL 24 4.344 1.840 -0.604
204 HA VAL 24 HA VAL 24 6.809 3.331 -0.372
205 HB VAL 24 HB VAL 24 4.107 3.763 0.893
206 HG11 VAL 24 1HG1 VAL 24 5.945 4.756 2.210
207 HG12 VAL 24 2HG1 VAL 24 4.826 5.942 1.539
208 HG13 VAL 24 3HG1 VAL 24 6.396 5.685 0.786
209 HG21 VAL 24 1HG2 VAL 24 5.468 5.004 -1.472
210 HG22 VAL 24 2HG2 VAL 24 3.968 5.606 -0.757
211 HG23 VAL 24 3HG2 VAL 24 4.019 3.997 -1.481
212 H VAL 25 H VAL 25 6.001 0.496 0.833
213 HA VAL 25 HA VAL 25 7.293 0.933 3.413
214 HB VAL 25 HB VAL 25 5.501 -0.870 2.896
215 HG11 VAL 25 1HG1 VAL 25 7.968 -2.235 1.846
216 HG12 VAL 25 2HG1 VAL 25 6.509 -1.839 0.937
217 HG13 VAL 25 3HG1 VAL 25 6.447 -3.050 2.221
218 HG21 VAL 25 1HG2 VAL 25 6.605 -0.711 5.028
219 HG22 VAL 25 2HG2 VAL 25 8.023 -1.544 4.391
220 HG23 VAL 25 3HG2 VAL 25 6.489 -2.405 4.550
221 H VAL 26 H VAL 26 7.931 0.161 0.155
222 HA VAL 26 HA VAL 26 10.395 -1.232 0.468
223 HB VAL 26 HB VAL 26 9.158 0.104 -1.930
224 HG11 VAL 26 1HG1 VAL 26 10.647 -1.309 -3.273
225 HG12 VAL 26 2HG1 VAL 26 11.392 -1.927 -1.799
226 HG13 VAL 26 3HG1 VAL 26 11.560 -0.225 -2.225
227 HG21 VAL 26 1HG2 VAL 26 9.108 -2.791 -1.072
228 HG22 VAL 26 2HG2 VAL 26 8.422 -2.144 -2.561
229 HG23 VAL 26 3HG2 VAL 26 7.753 -1.665 -1.003
230 H LEU 27 H LEU 27 9.450 1.939 -0.625
231 HA LEU 27 HA LEU 27 12.012 2.842 -1.191
232 HB2 LEU 27 2HB LEU 27 11.075 4.939 -1.652
233 HB3 LEU 27 1HB LEU 27 9.871 3.750 -2.088
234 HG LEU 27 HG LEU 27 9.753 5.907 -0.092
235 HD11 LEU 27 1HD1 LEU 27 7.377 5.805 -0.768
236 HD12 LEU 27 2HD1 LEU 27 7.763 4.429 -1.798
237 HD13 LEU 27 3HD1 LEU 27 8.481 6.007 -2.130
238 HD21 LEU 27 1HD2 LEU 27 7.994 4.699 1.187
239 HD22 LEU 27 2HD2 LEU 27 9.636 4.114 1.451
240 HD23 LEU 27 3HD2 LEU 27 8.539 3.206 0.415
241 H LEU 28 H LEU 28 10.468 2.480 1.845
242 HA LEU 28 HA LEU 28 12.374 4.280 3.171
243 HB2 LEU 28 2HB LEU 28 10.244 2.542 4.423
244 HB3 LEU 28 1HB LEU 28 11.185 3.777 5.229
245 HG LEU 28 HG LEU 28 9.075 4.206 3.133
246 HD11 LEU 28 1HD1 LEU 28 8.176 3.651 5.311
247 HD12 LEU 28 2HD1 LEU 28 7.890 5.353 4.945
248 HD13 LEU 28 3HD1 LEU 28 9.177 4.896 6.060
249 HD21 LEU 28 1HD2 LEU 28 9.435 6.603 3.505
250 HD22 LEU 28 2HD2 LEU 28 10.876 5.826 2.852
251 HD23 LEU 28 3HD2 LEU 28 10.793 6.230 4.565
252 H LYS 29 H LYS 29 11.715 0.996 2.486
253 HA LYS 29 HA LYS 29 12.806 -0.963 2.834
254 HB2 LYS 29 2HB LYS 29 15.037 0.840 3.790
255 HB3 LYS 29 1HB LYS 29 15.191 -0.896 3.585
256 HG2 LYS 29 2HG LYS 29 14.461 0.994 1.363
257 HG3 LYS 29 1HG LYS 29 16.107 0.466 1.717
258 HD2 LYS 29 2HD LYS 29 15.396 -1.873 1.392
259 HD3 LYS 29 1HD LYS 29 13.784 -1.300 0.959
260 HE2 LYS 29 2HE LYS 29 14.634 -0.161 -0.967
261 HE3 LYS 29 1HE LYS 29 16.298 -0.488 -0.485
262 HZ1 LYS 29 1HZ LYS 29 15.575 -1.987 -2.226
263 HZ2 LYS 29 2HZ LYS 29 14.296 -2.533 -1.269
264 HZ3 LYS 29 3HZ LYS 29 15.890 -2.845 -0.805
265 H ARG 30 H ARG 30 11.178 0.432 4.871
266 HA ARG 30 HA ARG 30 12.379 -0.334 7.405
267 HB2 ARG 30 2HB ARG 30 11.158 1.821 7.143
268 HB3 ARG 30 1HB ARG 30 9.680 0.914 6.860
269 HG2 ARG 30 2HG ARG 30 9.835 -0.045 9.102
270 HG3 ARG 30 1HG ARG 30 11.323 0.862 9.384
271 HD2 ARG 30 2HD ARG 30 8.601 2.032 8.826
272 HD3 ARG 30 1HD ARG 30 9.412 1.990 10.389
273 HE ARG 30 HE ARG 30 11.195 3.292 8.859
274 HH11 ARG 30 1HH1 ARG 30 7.766 3.747 9.402
275 HH12 ARG 30 2HH1 ARG 30 7.815 5.451 9.086
276 HH21 ARG 30 1HH2 ARG 30 11.261 5.533 8.439
277 HH22 ARG 30 2HH2 ARG 30 9.799 6.462 8.524
Start of MODEL 6
1 H1 MET 1 1H MET 1 -28.899 -1.169 10.462
2 H2 MET 1 2H MET 1 -29.851 -1.530 9.115
3 H3 MET 1 3H MET 1 -29.439 0.075 9.459
4 HA MET 1 HA MET 1 -27.551 -2.067 8.708
5 HB2 MET 1 2HB MET 1 -28.577 0.329 7.168
6 HB3 MET 1 1HB MET 1 -27.229 -0.672 6.653
7 HG2 MET 1 2HG MET 1 -29.124 -1.377 5.437
8 HG3 MET 1 1HG MET 1 -28.793 -2.624 6.637
9 HE1 MET 1 1HE MET 1 -30.581 0.895 7.017
10 HE2 MET 1 2HE MET 1 -32.266 0.410 6.851
11 HE3 MET 1 3HE MET 1 -31.165 0.249 5.486
12 H ALA 2 H ALA 2 -25.497 -0.809 7.835
13 HA ALA 2 HA ALA 2 -24.882 1.493 9.526
14 HB1 ALA 2 1HB ALA 2 -23.188 -1.005 9.496
15 HB2 ALA 2 2HB ALA 2 -24.192 -0.458 10.840
16 HB3 ALA 2 3HB ALA 2 -22.803 0.501 10.328
17 H THR 3 H THR 3 -25.343 1.818 6.979
18 HA THR 3 HA THR 3 -23.046 1.363 5.297
19 HB THR 3 HB THR 3 -25.319 3.191 4.639
20 HG1 THR 3 HG1 THR 3 -25.374 0.421 5.057
21 HG21 THR 3 1HG2 THR 3 -23.495 3.006 3.021
22 HG22 THR 3 2HG2 THR 3 -24.974 2.295 2.375
23 HG23 THR 3 3HG2 THR 3 -23.690 1.254 2.989
24 H LYS 4 H LYS 4 -21.894 2.613 7.137
25 HA LYS 4 HA LYS 4 -21.981 5.485 6.991
26 HB2 LYS 4 2HB LYS 4 -19.902 3.715 8.294
27 HB3 LYS 4 1HB LYS 4 -20.197 5.418 8.627
28 HG2 LYS 4 2HG LYS 4 -22.362 4.906 9.560
29 HG3 LYS 4 1HG LYS 4 -22.179 3.209 9.129
30 HD2 LYS 4 2HD LYS 4 -21.695 3.388 11.443
31 HD3 LYS 4 1HD LYS 4 -20.154 3.153 10.616
32 HE2 LYS 4 2HE LYS 4 -19.688 5.520 10.750
33 HE3 LYS 4 1HE LYS 4 -21.266 5.818 11.474
34 HZ1 LYS 4 1HZ LYS 4 -19.566 5.773 13.164
35 HZ2 LYS 4 2HZ LYS 4 -19.059 4.238 12.676
36 HZ3 LYS 4 3HZ LYS 4 -20.588 4.440 13.363
37 H HIS 5 H HIS 5 -21.432 6.210 5.006
38 HA HIS 5 HA HIS 5 -20.286 6.602 3.092
39 HB2 HIS 5 2HB HIS 5 -18.596 7.432 4.764
40 HB3 HIS 5 1HB HIS 5 -17.816 5.857 4.680
41 HD1 HIS 5 HD1 HIS 5 -16.047 5.619 2.953
42 HD2 HIS 5 HD2 HIS 5 -18.597 8.796 2.137
43 HE1 HIS 5 HE1 HIS 5 -15.063 6.774 0.949
44 HE2 HIS 5 HE2 HIS 5 -16.611 8.704 0.483
45 H GLY 6 H GLY 6 -21.522 4.342 2.934
46 HA2 GLY 6 2HA GLY 6 -21.530 2.467 1.570
47 HA3 GLY 6 1HA GLY 6 -19.798 2.665 1.335
48 H LYS 7 H LYS 7 -18.817 2.561 3.855
49 HA LYS 7 HA LYS 7 -17.904 1.081 5.236
50 HB2 LYS 7 2HB LYS 7 -20.194 1.683 6.187
51 HB3 LYS 7 1HB LYS 7 -20.683 0.072 5.688
52 HG2 LYS 7 2HG LYS 7 -20.012 0.257 8.036
53 HG3 LYS 7 1HG LYS 7 -19.086 -0.932 7.128
54 HD2 LYS 7 2HD LYS 7 -17.249 0.660 6.927
55 HD3 LYS 7 1HD LYS 7 -18.192 1.871 7.797
56 HE2 LYS 7 2HE LYS 7 -18.186 0.502 9.781
57 HE3 LYS 7 1HE LYS 7 -17.376 -0.803 8.918
58 HZ1 LYS 7 1HZ LYS 7 -16.248 1.878 9.512
59 HZ2 LYS 7 2HZ LYS 7 -15.471 0.685 8.596
60 HZ3 LYS 7 3HZ LYS 7 -15.799 0.415 10.231
61 H ASN 8 H ASN 8 -18.432 0.188 2.436
62 HA ASN 8 HA ASN 8 -17.584 -2.559 2.880
63 HB2 ASN 8 2HB ASN 8 -20.065 -1.756 1.426
64 HB3 ASN 8 1HB ASN 8 -19.124 -3.096 0.782
65 HD21 ASN 8 1HD2 ASN 8 -20.049 -5.359 3.273
66 HD22 ASN 8 2HD2 ASN 8 -18.967 -5.004 1.972
67 H SER 9 H SER 9 -18.330 -0.067 0.484
68 HA SER 9 HA SER 9 -16.601 -1.006 -1.513
69 HB2 SER 9 2HB SER 9 -16.848 1.430 -2.341
70 HB3 SER 9 1HB SER 9 -18.299 0.433 -2.229
71 HG SER 9 HG SER 9 -19.050 1.715 -0.748
72 H TRP 10 H TRP 10 -15.909 0.776 1.366
73 HA TRP 10 HA TRP 10 -13.598 2.136 0.548
74 HB2 TRP 10 2HB TRP 10 -12.860 2.071 2.876
75 HB3 TRP 10 1HB TRP 10 -14.519 2.532 2.788
76 HD1 TRP 10 HD1 TRP 10 -16.326 0.509 3.471
77 HE1 TRP 10 HE1 TRP 10 -15.992 -1.372 5.224
78 HE3 TRP 10 HE3 TRP 10 -11.355 0.680 3.678
79 HZ2 TRP 10 HZ2 TRP 10 -13.754 -2.597 6.518
80 HZ3 TRP 10 HZ3 TRP 10 -10.144 -0.813 5.161
81 HH2 TRP 10 HH2 TRP 10 -11.305 -2.451 6.555
82 H LYS 11 H LYS 11 -14.116 -1.207 1.443
83 HA LYS 11 HA LYS 11 -11.502 -2.013 1.972
84 HB2 LYS 11 2HB LYS 11 -14.047 -3.134 1.380
85 HB3 LYS 11 1HB LYS 11 -12.810 -4.054 0.531
86 HG2 LYS 11 2HG LYS 11 -11.627 -4.302 2.713
87 HG3 LYS 11 1HG LYS 11 -12.980 -3.457 3.478
88 HD2 LYS 11 2HD LYS 11 -13.187 -6.048 1.943
89 HD3 LYS 11 1HD LYS 11 -13.152 -5.907 3.701
90 HE2 LYS 11 2HE LYS 11 -15.200 -4.609 3.663
91 HE3 LYS 11 1HE LYS 11 -15.222 -4.659 1.900
92 HZ1 LYS 11 1HZ LYS 11 -15.428 -7.083 2.035
93 HZ2 LYS 11 2HZ LYS 11 -16.717 -6.297 2.794
94 HZ3 LYS 11 3HZ LYS 11 -15.487 -6.989 3.723
95 H THR 12 H THR 12 -13.230 -1.662 -1.001
96 HA THR 12 HA THR 12 -11.267 -2.614 -2.788
97 HB THR 12 HB THR 12 -13.732 -0.946 -2.935
98 HG1 THR 12 HG1 THR 12 -13.636 -3.057 -4.598
99 HG21 THR 12 1HG2 THR 12 -11.982 -1.557 -5.322
100 HG22 THR 12 2HG2 THR 12 -12.239 0.041 -4.622
101 HG23 THR 12 3HG2 THR 12 -13.584 -0.820 -5.369
102 H LEU 13 H LEU 13 -11.971 0.517 -1.369
103 HA LEU 13 HA LEU 13 -9.916 2.011 -2.699
104 HB2 LEU 13 2HB LEU 13 -11.273 3.572 -1.764
105 HB3 LEU 13 1HB LEU 13 -11.955 2.403 -0.651
106 HG LEU 13 HG LEU 13 -9.324 3.152 0.223
107 HD11 LEU 13 1HD1 LEU 13 -9.770 5.493 0.757
108 HD12 LEU 13 2HD1 LEU 13 -11.274 5.415 -0.159
109 HD13 LEU 13 3HD1 LEU 13 -9.727 5.227 -0.985
110 HD21 LEU 13 1HD2 LEU 13 -10.519 3.666 2.291
111 HD22 LEU 13 2HD2 LEU 13 -11.085 2.131 1.626
112 HD23 LEU 13 3HD2 LEU 13 -12.060 3.589 1.438
113 H TYR 14 H TYR 14 -10.130 -0.080 0.000
114 HA TYR 14 HA TYR 14 -7.981 1.078 1.475
115 HB2 TYR 14 2HB TYR 14 -9.991 0.094 2.524
116 HB3 TYR 14 1HB TYR 14 -9.486 -1.493 1.949
117 HD1 TYR 14 HD1 TYR 14 -7.580 -2.593 2.873
118 HD2 TYR 14 HD2 TYR 14 -8.869 1.178 4.327
119 HE1 TYR 14 HE1 TYR 14 -6.092 -2.873 4.776
120 HE2 TYR 14 HE2 TYR 14 -7.367 0.934 6.276
121 HH TYR 14 HH TYR 14 -4.953 -1.495 6.453
122 H LEU 15 H LEU 15 -8.426 -1.816 -0.489
123 HA LEU 15 HA LEU 15 -5.843 -2.812 0.247
124 HB2 LEU 15 2HB LEU 15 -7.543 -3.764 -2.041
125 HB3 LEU 15 1HB LEU 15 -6.266 -4.617 -1.193
126 HG LEU 15 HG LEU 15 -8.809 -3.793 0.153
127 HD11 LEU 15 1HD1 LEU 15 -9.556 -6.097 -0.132
128 HD12 LEU 15 2HD1 LEU 15 -8.118 -6.454 -1.089
129 HD13 LEU 15 3HD1 LEU 15 -9.323 -5.316 -1.694
130 HD21 LEU 15 1HD2 LEU 15 -8.127 -5.464 1.801
131 HD22 LEU 15 2HD2 LEU 15 -6.909 -4.201 1.621
132 HD23 LEU 15 3HD2 LEU 15 -6.661 -5.781 0.874
133 H LYS 16 H LYS 16 -7.153 -0.634 -1.980
134 HA LYS 16 HA LYS 16 -4.944 -0.474 -3.763
135 HB2 LYS 16 2HB LYS 16 -7.035 0.509 -4.446
136 HB3 LYS 16 1HB LYS 16 -7.167 1.409 -2.950
137 HG2 LYS 16 2HG LYS 16 -4.856 1.980 -4.725
138 HG3 LYS 16 1HG LYS 16 -6.454 2.578 -5.182
139 HD2 LYS 16 2HD LYS 16 -6.682 3.732 -3.093
140 HD3 LYS 16 1HD LYS 16 -5.196 3.005 -2.482
141 HE2 LYS 16 2HE LYS 16 -4.861 5.339 -3.191
142 HE3 LYS 16 1HE LYS 16 -3.897 4.213 -4.144
143 HZ1 LYS 16 1HZ LYS 16 -5.456 4.379 -5.934
144 HZ2 LYS 16 2HZ LYS 16 -4.999 5.941 -5.482
145 HZ3 LYS 16 3HZ LYS 16 -6.503 5.332 -5.011
146 H ILE 17 H ILE 17 -5.917 0.985 -0.719
147 HA ILE 17 HA ILE 17 -3.714 2.628 -0.272
148 HB ILE 17 HB ILE 17 -5.770 1.320 1.461
149 HG12 ILE 17 2HG1 ILE 17 -5.052 4.213 0.962
150 HG13 ILE 17 1HG1 ILE 17 -6.345 3.328 0.160
151 HG21 ILE 17 1HG2 ILE 17 -3.519 2.982 2.554
152 HG22 ILE 17 2HG2 ILE 17 -3.702 1.240 2.752
153 HG23 ILE 17 3HG2 ILE 17 -4.893 2.334 3.456
154 HD11 ILE 17 1HD1 ILE 17 -7.218 4.746 1.917
155 HD12 ILE 17 2HD1 ILE 17 -6.180 3.952 3.099
156 HD13 ILE 17 3HD1 ILE 17 -7.473 3.047 2.312
157 H SER 18 H SER 18 -4.378 -0.740 0.580
158 HA SER 18 HA SER 18 -1.985 -1.371 1.884
159 HB2 SER 18 2HB SER 18 -3.461 -3.231 0.009
160 HB3 SER 18 1HB SER 18 -2.527 -3.656 1.450
161 HG SER 18 HG SER 18 -4.415 -1.950 2.201
162 H PHE 19 H PHE 19 -2.882 -1.412 -1.505
163 HA PHE 19 HA PHE 19 -0.680 -2.702 -2.589
164 HB2 PHE 19 2HB PHE 19 -2.791 -2.206 -3.775
165 HB3 PHE 19 1HB PHE 19 -2.357 -0.500 -3.810
166 HD1 PHE 19 HD1 PHE 19 -1.560 -3.825 -5.077
167 HD2 PHE 19 HD2 PHE 19 -0.778 0.346 -5.364
168 HE1 PHE 19 HE1 PHE 19 -0.373 -4.203 -7.210
169 HE2 PHE 19 HE2 PHE 19 0.408 -0.018 -7.499
170 HZ PHE 19 HZ PHE 19 0.612 -2.296 -8.421
171 H LEU 20 H LEU 20 -1.263 0.808 -2.427
172 HA LEU 20 HA LEU 20 1.299 1.539 -3.337
173 HB2 LEU 20 2HB LEU 20 -0.711 3.039 -1.674
174 HB3 LEU 20 1HB LEU 20 0.749 3.761 -2.318
175 HG LEU 20 HG LEU 20 -1.593 2.685 -3.874
176 HD11 LEU 20 1HD1 LEU 20 -1.924 4.896 -2.916
177 HD12 LEU 20 2HD1 LEU 20 -1.753 4.994 -4.668
178 HD13 LEU 20 3HD1 LEU 20 -0.406 5.445 -3.624
179 HD21 LEU 20 1HD2 LEU 20 -0.344 3.394 -5.872
180 HD22 LEU 20 2HD2 LEU 20 0.440 2.067 -5.013
181 HD23 LEU 20 3HD2 LEU 20 1.063 3.707 -4.855
182 H GLY 21 H GLY 21 -0.002 0.897 -0.167
183 HA2 GLY 21 2HA GLY 21 2.184 1.803 1.372
184 HA3 GLY 21 1HA GLY 21 0.999 0.606 1.882
185 H CYS 22 H CYS 22 1.562 -1.255 -0.244
186 HA CYS 22 HA CYS 22 3.712 -2.702 0.881
187 HB2 CYS 22 2HB CYS 22 2.298 -3.062 -1.769
188 HB3 CYS 22 1HB CYS 22 3.394 -4.233 -1.048
189 HG CYS 22 HG CYS 22 0.527 -3.214 0.507
190 H LYS 23 H LYS 23 3.524 -0.354 -1.663
191 HA LYS 23 HA LYS 23 6.214 -0.945 -2.598
192 HB2 LYS 23 2HB LYS 23 4.277 1.227 -3.404
193 HB3 LYS 23 1HB LYS 23 5.836 0.936 -4.161
194 HG2 LYS 23 2HG LYS 23 5.080 -1.261 -4.897
195 HG3 LYS 23 1HG LYS 23 3.520 -0.992 -4.116
196 HD2 LYS 23 2HD LYS 23 3.398 -0.557 -6.520
197 HD3 LYS 23 1HD LYS 23 3.106 0.914 -5.589
198 HE2 LYS 23 2HE LYS 23 5.400 1.631 -5.977
199 HE3 LYS 23 1HE LYS 23 5.731 0.145 -6.861
200 HZ1 LYS 23 1HZ LYS 23 4.135 0.803 -8.527
201 HZ2 LYS 23 2HZ LYS 23 5.287 2.020 -8.332
202 HZ3 LYS 23 3HZ LYS 23 3.748 2.204 -7.664
203 H VAL 24 H VAL 24 4.475 1.554 -0.861
204 HA VAL 24 HA VAL 24 6.888 3.093 -0.525
205 HB VAL 24 HB VAL 24 4.093 3.553 0.500
206 HG11 VAL 24 1HG1 VAL 24 6.358 5.506 0.418
207 HG12 VAL 24 2HG1 VAL 24 5.813 4.677 1.871
208 HG13 VAL 24 3HG1 VAL 24 4.732 5.791 1.032
209 HG21 VAL 24 1HG2 VAL 24 5.613 4.669 -1.833
210 HG22 VAL 24 2HG2 VAL 24 4.039 5.258 -1.290
211 HG23 VAL 24 3HG2 VAL 24 4.202 3.610 -1.896
212 H VAL 25 H VAL 25 5.995 0.333 0.817
213 HA VAL 25 HA VAL 25 7.118 0.930 3.444
214 HB VAL 25 HB VAL 25 5.362 -0.886 2.942
215 HG11 VAL 25 1HG1 VAL 25 6.291 -3.098 2.374
216 HG12 VAL 25 2HG1 VAL 25 7.840 -2.322 2.028
217 HG13 VAL 25 3HG1 VAL 25 6.423 -1.932 1.054
218 HG21 VAL 25 1HG2 VAL 25 7.814 -1.574 4.541
219 HG22 VAL 25 2HG2 VAL 25 6.243 -2.364 4.684
220 HG23 VAL 25 3HG2 VAL 25 6.415 -0.660 5.103
221 H VAL 26 H VAL 26 7.977 -0.057 0.289
222 HA VAL 26 HA VAL 26 10.428 -1.385 0.859
223 HB VAL 26 HB VAL 26 9.358 -0.202 -1.697
224 HG11 VAL 26 1HG1 VAL 26 10.967 -1.670 -2.840
225 HG12 VAL 26 2HG1 VAL 26 11.622 -2.157 -1.278
226 HG13 VAL 26 3HG1 VAL 26 11.772 -0.483 -1.812
227 HG21 VAL 26 1HG2 VAL 26 8.744 -2.525 -2.255
228 HG22 VAL 26 2HG2 VAL 26 7.902 -1.935 -0.824
229 HG23 VAL 26 3HG2 VAL 26 9.268 -3.035 -0.651
230 H LEU 27 H LEU 27 9.536 1.700 -0.491
231 HA LEU 27 HA LEU 27 12.130 2.586 -0.934
232 HB2 LEU 27 2HB LEU 27 11.220 4.632 -1.630
233 HB3 LEU 27 1HB LEU 27 10.060 3.399 -2.063
234 HG LEU 27 HG LEU 27 9.769 5.709 -0.271
235 HD11 LEU 27 1HD1 LEU 27 7.448 5.511 -1.097
236 HD12 LEU 27 2HD1 LEU 27 7.921 4.060 -1.977
237 HD13 LEU 27 3HD1 LEU 27 8.642 5.615 -2.391
238 HD21 LEU 27 1HD2 LEU 27 8.546 3.047 0.373
239 HD22 LEU 27 2HD2 LEU 27 7.950 4.591 0.988
240 HD23 LEU 27 3HD2 LEU 27 9.575 4.038 1.397
241 H LEU 28 H LEU 28 10.362 2.448 2.007
242 HA LEU 28 HA LEU 28 12.227 4.315 3.317
243 HB2 LEU 28 2HB LEU 28 9.877 2.848 4.523
244 HB3 LEU 28 1HB LEU 28 10.840 4.083 5.306
245 HG LEU 28 HG LEU 28 8.974 4.461 2.987
246 HD11 LEU 28 1HD1 LEU 28 7.847 4.176 5.113
247 HD12 LEU 28 2HD1 LEU 28 7.716 5.846 4.563
248 HD13 LEU 28 3HD1 LEU 28 8.862 5.425 5.835
249 HD21 LEU 28 1HD2 LEU 28 9.491 6.853 3.193
250 HD22 LEU 28 2HD2 LEU 28 10.910 5.914 2.733
251 HD23 LEU 28 3HD2 LEU 28 10.723 6.472 4.395
252 H LYS 29 H LYS 29 11.431 1.014 2.934
253 HA LYS 29 HA LYS 29 12.376 -0.941 3.589
254 HB2 LYS 29 2HB LYS 29 14.606 0.842 4.590
255 HB3 LYS 29 1HB LYS 29 14.670 -0.913 4.600
256 HG2 LYS 29 2HG LYS 29 14.358 0.789 2.136
257 HG3 LYS 29 1HG LYS 29 15.875 0.086 2.704
258 HD2 LYS 29 2HD LYS 29 14.945 -2.155 2.445
259 HD3 LYS 29 1HD LYS 29 13.405 -1.469 1.926
260 HE2 LYS 29 2HE LYS 29 14.529 -0.440 0.001
261 HE3 LYS 29 1HE LYS 29 16.052 -1.168 0.512
262 HZ1 LYS 29 1HZ LYS 29 13.612 -2.692 -0.216
263 HZ2 LYS 29 2HZ LYS 29 15.121 -3.341 0.169
264 HZ3 LYS 29 3HZ LYS 29 14.929 -2.433 -1.241
265 H ARG 30 H ARG 30 10.601 0.686 5.254
266 HA ARG 30 HA ARG 30 11.437 0.099 7.977
267 HB2 ARG 30 2HB ARG 30 10.423 2.297 7.435
268 HB3 ARG 30 1HB ARG 30 8.944 1.479 6.955
269 HG2 ARG 30 2HG ARG 30 8.695 2.407 9.165
270 HG3 ARG 30 1HG ARG 30 8.678 0.646 9.255
271 HD2 ARG 30 2HD ARG 30 10.017 1.604 11.050
272 HD3 ARG 30 1HD ARG 30 11.016 0.654 9.955
273 HE ARG 30 HE ARG 30 11.078 3.328 9.120
274 HH11 ARG 30 1HH1 ARG 30 12.155 1.371 11.819
275 HH12 ARG 30 2HH1 ARG 30 13.536 2.368 12.151
276 HH21 ARG 30 1HH2 ARG 30 12.886 4.650 9.570
277 HH22 ARG 30 2HH2 ARG 30 13.955 4.224 10.869
Start of MODEL 7
1 H1 MET 1 1H MET 1 -26.852 10.039 14.155
2 H2 MET 1 2H MET 1 -28.413 10.664 13.992
3 H3 MET 1 3H MET 1 -27.134 11.687 14.399
4 HA MET 1 HA MET 1 -27.731 11.972 12.097
5 HB2 MET 1 2HB MET 1 -25.089 10.580 12.578
6 HB3 MET 1 1HB MET 1 -25.484 11.442 11.100
7 HG2 MET 1 2HG MET 1 -25.669 13.515 12.303
8 HG3 MET 1 1HG MET 1 -25.442 12.685 13.839
9 HE1 MET 1 1HE MET 1 -23.120 10.636 13.290
10 HE2 MET 1 2HE MET 1 -23.168 11.710 14.686
11 HE3 MET 1 3HE MET 1 -21.708 11.607 13.705
12 H ALA 2 H ALA 2 -27.792 11.049 9.944
13 HA ALA 2 HA ALA 2 -28.147 8.124 9.924
14 HB1 ALA 2 1HB ALA 2 -30.345 9.224 9.963
15 HB2 ALA 2 2HB ALA 2 -30.066 8.365 8.446
16 HB3 ALA 2 3HB ALA 2 -29.913 10.121 8.507
17 H THR 3 H THR 3 -25.812 9.413 9.263
18 HA THR 3 HA THR 3 -25.670 9.919 6.436
19 HB THR 3 HB THR 3 -23.375 9.581 8.366
20 HG1 THR 3 HG1 THR 3 -25.116 11.761 7.884
21 HG21 THR 3 1HG2 THR 3 -23.641 11.121 5.783
22 HG22 THR 3 2HG2 THR 3 -22.769 9.603 5.995
23 HG23 THR 3 3HG2 THR 3 -22.205 11.063 6.807
24 H LYS 4 H LYS 4 -25.169 8.507 4.896
25 HA LYS 4 HA LYS 4 -24.373 5.797 5.675
26 HB2 LYS 4 2HB LYS 4 -26.382 6.037 4.255
27 HB3 LYS 4 1HB LYS 4 -25.412 6.836 3.031
28 HG2 LYS 4 2HG LYS 4 -24.132 4.829 2.669
29 HG3 LYS 4 1HG LYS 4 -24.991 4.025 3.976
30 HD2 LYS 4 2HD LYS 4 -26.287 5.078 1.470
31 HD3 LYS 4 1HD LYS 4 -25.825 3.394 1.730
32 HE2 LYS 4 2HE LYS 4 -27.803 4.966 3.379
33 HE3 LYS 4 1HE LYS 4 -28.202 3.751 2.169
34 HZ1 LYS 4 1HZ LYS 4 -28.296 2.838 4.399
35 HZ2 LYS 4 2HZ LYS 4 -26.684 3.256 4.673
36 HZ3 LYS 4 3HZ LYS 4 -27.066 2.091 3.509
37 H HIS 5 H HIS 5 -22.214 5.700 5.847
38 HA HIS 5 HA HIS 5 -20.556 7.204 3.978
39 HB2 HIS 5 2HB HIS 5 -20.172 7.193 6.492
40 HB3 HIS 5 1HB HIS 5 -19.622 5.533 6.315
41 HD1 HIS 5 HD1 HIS 5 -17.158 5.617 6.581
42 HD2 HIS 5 HD2 HIS 5 -18.560 8.703 4.177
43 HE1 HIS 5 HE1 HIS 5 -15.107 6.825 5.766
44 HE2 HIS 5 HE2 HIS 5 -15.978 8.705 4.333
45 H GLY 6 H GLY 6 -22.070 4.407 3.768
46 HA2 GLY 6 2HA GLY 6 -21.787 2.950 1.944
47 HA3 GLY 6 1HA GLY 6 -20.089 3.400 1.877
48 H LYS 7 H LYS 7 -19.060 2.833 4.229
49 HA LYS 7 HA LYS 7 -18.022 1.141 5.273
50 HB2 LYS 7 2HB LYS 7 -20.381 1.419 6.314
51 HB3 LYS 7 1HB LYS 7 -20.712 -0.130 5.561
52 HG2 LYS 7 2HG LYS 7 -20.084 -0.396 7.846
53 HG3 LYS 7 1HG LYS 7 -18.876 -1.134 6.810
54 HD2 LYS 7 2HD LYS 7 -17.571 -0.035 8.372
55 HD3 LYS 7 1HD LYS 7 -17.667 1.160 7.084
56 HE2 LYS 7 2HE LYS 7 -19.452 1.111 9.509
57 HE3 LYS 7 1HE LYS 7 -18.005 2.099 9.360
58 HZ1 LYS 7 1HZ LYS 7 -19.852 3.453 8.831
59 HZ2 LYS 7 2HZ LYS 7 -20.502 2.302 7.780
60 HZ3 LYS 7 3HZ LYS 7 -19.079 3.118 7.364
61 H ASN 8 H ASN 8 -18.146 0.827 2.434
62 HA ASN 8 HA ASN 8 -17.472 -1.966 2.336
63 HB2 ASN 8 2HB ASN 8 -18.964 -2.616 0.541
64 HB3 ASN 8 1HB ASN 8 -19.905 -2.045 1.908
65 HD21 ASN 8 1HD2 ASN 8 -21.081 -0.700 -1.426
66 HD22 ASN 8 2HD2 ASN 8 -20.565 -2.275 -0.933
67 H SER 9 H SER 9 -17.952 1.018 0.489
68 HA SER 9 HA SER 9 -16.357 0.288 -1.716
69 HB2 SER 9 2HB SER 9 -18.030 2.131 -1.725
70 HB3 SER 9 1HB SER 9 -16.956 3.072 -0.695
71 HG SER 9 HG SER 9 -16.169 3.731 -2.528
72 H TRP 10 H TRP 10 -15.545 1.423 1.437
73 HA TRP 10 HA TRP 10 -13.029 2.521 0.962
74 HB2 TRP 10 2HB TRP 10 -12.447 1.904 3.245
75 HB3 TRP 10 1HB TRP 10 -14.031 2.584 3.205
76 HD1 TRP 10 HD1 TRP 10 -16.115 0.738 3.482
77 HE1 TRP 10 HE1 TRP 10 -16.076 -1.518 4.770
78 HE3 TRP 10 HE3 TRP 10 -11.174 0.177 3.685
79 HZ2 TRP 10 HZ2 TRP 10 -14.052 -3.296 5.731
80 HZ3 TRP 10 HZ3 TRP 10 -10.206 -1.756 4.782
81 HH2 TRP 10 HH2 TRP 10 -11.607 -3.490 5.778
82 H LYS 11 H LYS 11 -14.056 -0.825 1.101
83 HA LYS 11 HA LYS 11 -11.601 -2.092 1.502
84 HB2 LYS 11 2HB LYS 11 -14.243 -2.701 0.603
85 HB3 LYS 11 1HB LYS 11 -13.076 -3.615 -0.346
86 HG2 LYS 11 2HG LYS 11 -12.108 -4.450 1.778
87 HG3 LYS 11 1HG LYS 11 -13.358 -3.555 2.651
88 HD2 LYS 11 2HD LYS 11 -13.874 -5.745 0.637
89 HD3 LYS 11 1HD LYS 11 -13.911 -5.950 2.389
90 HE2 LYS 11 2HE LYS 11 -15.709 -4.269 2.520
91 HE3 LYS 11 1HE LYS 11 -15.700 -4.146 0.761
92 HZ1 LYS 11 1HZ LYS 11 -17.446 -5.618 1.486
93 HZ2 LYS 11 2HZ LYS 11 -16.349 -6.575 2.339
94 HZ3 LYS 11 3HZ LYS 11 -16.276 -6.506 0.650
95 H THR 12 H THR 12 -13.131 -0.914 -1.383
96 HA THR 12 HA THR 12 -11.178 -1.758 -3.255
97 HB THR 12 HB THR 12 -13.502 0.100 -3.195
98 HG1 THR 12 HG1 THR 12 -12.783 -2.311 -4.439
99 HG21 THR 12 1HG2 THR 12 -11.642 -0.097 -5.565
100 HG22 THR 12 2HG2 THR 12 -11.833 1.317 -4.529
101 HG23 THR 12 3HG2 THR 12 -13.186 0.757 -5.508
102 H LEU 13 H LEU 13 -11.611 1.053 -1.242
103 HA LEU 13 HA LEU 13 -9.407 2.590 -2.256
104 HB2 LEU 13 2HB LEU 13 -10.648 4.061 -1.059
105 HB3 LEU 13 1HB LEU 13 -11.457 2.773 -0.191
106 HG LEU 13 HG LEU 13 -8.794 3.096 0.829
107 HD11 LEU 13 1HD1 LEU 13 -10.508 5.574 0.826
108 HD12 LEU 13 2HD1 LEU 13 -8.947 5.381 0.028
109 HD13 LEU 13 3HD1 LEU 13 -9.050 5.333 1.787
110 HD21 LEU 13 1HD2 LEU 13 -10.691 2.018 1.998
111 HD22 LEU 13 2HD2 LEU 13 -11.496 3.585 2.096
112 HD23 LEU 13 3HD2 LEU 13 -9.974 3.325 2.946
113 H TYR 14 H TYR 14 -9.856 0.008 -0.072
114 HA TYR 14 HA TYR 14 -7.677 0.708 1.659
115 HB2 TYR 14 2HB TYR 14 -9.815 -0.165 2.510
116 HB3 TYR 14 1HB TYR 14 -9.504 -1.691 1.687
117 HD1 TYR 14 HD1 TYR 14 -7.869 -3.210 2.483
118 HD2 TYR 14 HD2 TYR 14 -8.548 0.488 4.447
119 HE1 TYR 14 HE1 TYR 14 -6.497 -3.989 4.339
120 HE2 TYR 14 HE2 TYR 14 -7.161 -0.262 6.339
121 HH TYR 14 HH TYR 14 -6.353 -2.282 7.353
122 H LEU 15 H LEU 15 -8.420 -1.867 -0.637
123 HA LEU 15 HA LEU 15 -5.942 -3.196 -0.104
124 HB2 LEU 15 2HB LEU 15 -7.755 -3.609 -2.473
125 HB3 LEU 15 1HB LEU 15 -6.561 -4.711 -1.811
126 HG LEU 15 HG LEU 15 -8.980 -3.853 -0.265
127 HD11 LEU 15 1HD1 LEU 15 -9.983 -5.988 -0.883
128 HD12 LEU 15 2HD1 LEU 15 -8.613 -6.333 -1.937
129 HD13 LEU 15 3HD1 LEU 15 -9.695 -4.991 -2.308
130 HD21 LEU 15 1HD2 LEU 15 -7.070 -6.162 0.052
131 HD22 LEU 15 2HD2 LEU 15 -8.462 -5.818 1.080
132 HD23 LEU 15 3HD2 LEU 15 -7.097 -4.700 1.040
133 H LYS 16 H LYS 16 -7.032 -0.589 -1.923
134 HA LYS 16 HA LYS 16 -4.812 -0.363 -3.703
135 HB2 LYS 16 2HB LYS 16 -6.869 0.804 -4.221
136 HB3 LYS 16 1HB LYS 16 -6.912 1.541 -2.635
137 HG2 LYS 16 2HG LYS 16 -4.692 2.164 -4.538
138 HG3 LYS 16 1HG LYS 16 -6.255 2.980 -4.650
139 HD2 LYS 16 2HD LYS 16 -6.005 3.498 -2.191
140 HD3 LYS 16 1HD LYS 16 -4.338 2.947 -2.339
141 HE2 LYS 16 2HE LYS 16 -4.359 5.340 -2.551
142 HE3 LYS 16 1HE LYS 16 -3.997 4.644 -4.130
143 HZ1 LYS 16 1HZ LYS 16 -6.663 5.625 -3.262
144 HZ2 LYS 16 2HZ LYS 16 -6.286 5.001 -4.786
145 HZ3 LYS 16 3HZ LYS 16 -5.598 6.455 -4.277
146 H ILE 17 H ILE 17 -5.758 0.840 -0.521
147 HA ILE 17 HA ILE 17 -3.476 2.285 0.124
148 HB ILE 17 HB ILE 17 -5.678 0.995 1.655
149 HG12 ILE 17 2HG1 ILE 17 -4.608 3.820 1.548
150 HG13 ILE 17 1HG1 ILE 17 -5.981 3.203 0.634
151 HG21 ILE 17 1HG2 ILE 17 -3.689 0.500 2.984
152 HG22 ILE 17 2HG2 ILE 17 -4.780 1.625 3.794
153 HG23 ILE 17 3HG2 ILE 17 -3.301 2.220 3.029
154 HD11 ILE 17 1HD1 ILE 17 -7.191 2.811 2.712
155 HD12 ILE 17 2HD1 ILE 17 -6.696 4.498 2.561
156 HD13 ILE 17 3HD1 ILE 17 -5.810 3.411 3.631
157 H SER 18 H SER 18 -4.319 -1.097 0.718
158 HA SER 18 HA SER 18 -1.992 -1.863 2.068
159 HB2 SER 18 2HB SER 18 -4.208 -3.162 1.704
160 HB3 SER 18 1HB SER 18 -3.478 -3.687 0.182
161 HG SER 18 HG SER 18 -2.661 -5.192 1.409
162 H PHE 19 H PHE 19 -2.798 -1.781 -1.362
163 HA PHE 19 HA PHE 19 -0.508 -3.091 -2.315
164 HB2 PHE 19 2HB PHE 19 -2.607 -2.697 -3.614
165 HB3 PHE 19 1HB PHE 19 -2.147 -0.999 -3.758
166 HD1 PHE 19 HD1 PHE 19 -1.252 -4.438 -4.668
167 HD2 PHE 19 HD2 PHE 19 -0.491 -0.302 -5.312
168 HE1 PHE 19 HE1 PHE 19 0.105 -4.999 -6.649
169 HE2 PHE 19 HE2 PHE 19 0.860 -0.852 -7.296
170 HZ PHE 19 HZ PHE 19 1.161 -3.202 -7.964
171 H LEU 20 H LEU 20 -1.266 0.395 -2.367
172 HA LEU 20 HA LEU 20 1.296 1.187 -3.187
173 HB2 LEU 20 2HB LEU 20 -1.024 2.593 -1.943
174 HB3 LEU 20 1HB LEU 20 0.503 3.437 -2.116
175 HG LEU 20 HG LEU 20 0.413 2.976 -4.561
176 HD11 LEU 20 1HD1 LEU 20 -1.492 2.098 -5.603
177 HD12 LEU 20 2HD1 LEU 20 -2.439 2.182 -4.118
178 HD13 LEU 20 3HD1 LEU 20 -1.135 1.006 -4.262
179 HD21 LEU 20 1HD2 LEU 20 -1.320 4.639 -5.055
180 HD22 LEU 20 2HD2 LEU 20 -0.320 5.122 -3.685
181 HD23 LEU 20 3HD2 LEU 20 -1.936 4.475 -3.411
182 H GLY 21 H GLY 21 -0.096 0.687 0.010
183 HA2 GLY 21 2HA GLY 21 2.050 1.731 1.507
184 HA3 GLY 21 1HA GLY 21 0.925 0.493 2.056
185 H CYS 22 H CYS 22 1.601 -1.327 -0.123
186 HA CYS 22 HA CYS 22 3.871 -2.599 1.068
187 HB2 CYS 22 2HB CYS 22 1.922 -3.848 0.145
188 HB3 CYS 22 1HB CYS 22 2.386 -3.324 -1.468
189 HG CYS 22 HG CYS 22 3.266 -6.018 0.030
190 H LYS 23 H LYS 23 3.353 -0.459 -1.637
191 HA LYS 23 HA LYS 23 6.038 -0.949 -2.649
192 HB2 LYS 23 2HB LYS 23 3.953 1.077 -3.459
193 HB3 LYS 23 1HB LYS 23 5.515 0.888 -4.238
194 HG2 LYS 23 2HG LYS 23 4.924 -1.407 -4.858
195 HG3 LYS 23 1HG LYS 23 3.345 -1.189 -4.106
196 HD2 LYS 23 2HD LYS 23 3.122 -0.886 -6.481
197 HD3 LYS 23 1HD LYS 23 2.901 0.672 -5.689
198 HE2 LYS 23 2HE LYS 23 5.604 -0.118 -6.698
199 HE3 LYS 23 1HE LYS 23 4.391 0.473 -7.829
200 HZ1 LYS 23 1HZ LYS 23 5.742 2.286 -7.103
201 HZ2 LYS 23 2HZ LYS 23 5.478 1.926 -5.477
202 HZ3 LYS 23 3HZ LYS 23 4.202 2.484 -6.435
203 H VAL 24 H VAL 24 4.290 1.467 -0.843
204 HA VAL 24 HA VAL 24 6.651 3.110 -0.573
205 HB VAL 24 HB VAL 24 3.856 3.425 0.518
206 HG11 VAL 24 1HG1 VAL 24 5.567 4.590 1.895
207 HG12 VAL 24 2HG1 VAL 24 4.382 5.654 1.139
208 HG13 VAL 24 3HG1 VAL 24 5.999 5.511 0.458
209 HG21 VAL 24 1HG2 VAL 24 3.921 3.562 -1.866
210 HG22 VAL 24 2HG2 VAL 24 5.301 4.659 -1.799
211 HG23 VAL 24 3HG2 VAL 24 3.719 5.190 -1.215
212 H VAL 25 H VAL 25 5.966 0.282 0.722
213 HA VAL 25 HA VAL 25 7.098 0.911 3.336
214 HB VAL 25 HB VAL 25 5.464 -1.019 2.889
215 HG11 VAL 25 1HG1 VAL 25 6.505 -1.976 0.941
216 HG12 VAL 25 2HG1 VAL 25 6.522 -3.158 2.252
217 HG13 VAL 25 3HG1 VAL 25 7.992 -2.271 1.839
218 HG21 VAL 25 1HG2 VAL 25 6.526 -2.444 4.570
219 HG22 VAL 25 2HG2 VAL 25 6.613 -0.738 4.996
220 HG23 VAL 25 3HG2 VAL 25 8.035 -1.558 4.354
221 H VAL 26 H VAL 26 7.964 0.073 0.151
222 HA VAL 26 HA VAL 26 10.506 -1.111 0.633
223 HB VAL 26 HB VAL 26 9.353 0.108 -1.868
224 HG11 VAL 26 1HG1 VAL 26 10.989 -1.282 -3.068
225 HG12 VAL 26 2HG1 VAL 26 11.661 -1.814 -1.526
226 HG13 VAL 26 3HG1 VAL 26 11.775 -0.118 -2.001
227 HG21 VAL 26 1HG2 VAL 26 8.764 -2.188 -2.499
228 HG22 VAL 26 2HG2 VAL 26 7.955 -1.700 -1.010
229 HG23 VAL 26 3HG2 VAL 26 9.356 -2.769 -0.943
230 H LEU 27 H LEU 27 9.391 1.966 -0.557
231 HA LEU 27 HA LEU 27 11.920 3.051 -0.980
232 HB2 LEU 27 2HB LEU 27 10.865 5.040 -1.613
233 HB3 LEU 27 1HB LEU 27 9.784 3.745 -2.073
234 HG LEU 27 HG LEU 27 9.362 5.973 -0.197
235 HD11 LEU 27 1HD1 LEU 27 7.590 4.270 -1.937
236 HD12 LEU 27 2HD1 LEU 27 8.245 5.859 -2.338
237 HD13 LEU 27 3HD1 LEU 27 7.066 5.693 -1.038
238 HD21 LEU 27 1HD2 LEU 27 7.618 4.691 1.019
239 HD22 LEU 27 2HD2 LEU 27 9.273 4.231 1.411
240 HD23 LEU 27 3HD2 LEU 27 8.311 3.212 0.346
241 H LEU 28 H LEU 28 10.160 2.675 1.931
242 HA LEU 28 HA LEU 28 11.949 4.535 3.348
243 HB2 LEU 28 2HB LEU 28 9.701 2.861 4.479
244 HB3 LEU 28 1HB LEU 28 10.594 4.107 5.322
245 HG LEU 28 HG LEU 28 8.653 4.495 3.059
246 HD11 LEU 28 1HD1 LEU 28 7.342 5.697 4.723
247 HD12 LEU 28 2HD1 LEU 28 8.557 5.334 5.949
248 HD13 LEU 28 3HD1 LEU 28 7.624 4.027 5.218
249 HD21 LEU 28 1HD2 LEU 28 9.025 6.897 3.375
250 HD22 LEU 28 2HD2 LEU 28 10.490 6.075 2.836
251 HD23 LEU 28 3HD2 LEU 28 10.311 6.541 4.528
252 H LYS 29 H LYS 29 11.324 1.275 2.655
253 HA LYS 29 HA LYS 29 12.362 -0.686 3.050
254 HB2 LYS 29 2HB LYS 29 14.406 0.928 2.710
255 HB3 LYS 29 1HB LYS 29 14.636 0.691 4.434
256 HG2 LYS 29 2HG LYS 29 16.022 -0.856 3.256
257 HG3 LYS 29 1HG LYS 29 14.722 -1.752 4.040
258 HD2 LYS 29 2HD LYS 29 14.818 -2.708 1.923
259 HD3 LYS 29 1HD LYS 29 13.506 -1.544 1.773
260 HE2 LYS 29 2HE LYS 29 16.353 -1.061 0.902
261 HE3 LYS 29 1HE LYS 29 15.047 -1.552 -0.168
262 HZ1 LYS 29 1HZ LYS 29 13.881 0.529 0.500
263 HZ2 LYS 29 2HZ LYS 29 15.317 0.781 -0.356
264 HZ3 LYS 29 3HZ LYS 29 15.289 1.004 1.316
265 H ARG 30 H ARG 30 10.533 0.472 4.915
266 HA ARG 30 HA ARG 30 11.429 -0.790 7.416
267 HB2 ARG 30 2HB ARG 30 11.733 1.633 7.612
268 HB3 ARG 30 1HB ARG 30 10.060 1.892 7.147
269 HG2 ARG 30 2HG ARG 30 9.342 0.711 9.188
270 HG3 ARG 30 1HG ARG 30 11.036 0.556 9.662
271 HD2 ARG 30 2HD ARG 30 11.268 2.981 9.661
272 HD3 ARG 30 1HD ARG 30 9.589 3.150 9.154
273 HE ARG 30 HE ARG 30 9.716 1.658 11.543
274 HH11 ARG 30 1HH1 ARG 30 10.120 4.909 10.325
275 HH12 ARG 30 2HH1 ARG 30 9.691 5.667 11.824
276 HH21 ARG 30 1HH2 ARG 30 9.144 2.655 13.535
277 HH22 ARG 30 2HH2 ARG 30 9.137 4.385 13.648
Start of MODEL 8
1 H1 MET 1 1H MET 1 -23.158 0.943 16.171
2 H2 MET 1 2H MET 1 -23.993 2.257 16.836
3 H3 MET 1 3H MET 1 -22.390 2.439 16.328
4 HA MET 1 HA MET 1 -22.988 2.109 14.057
5 HB2 MET 1 2HB MET 1 -24.846 0.541 14.460
6 HB3 MET 1 1HB MET 1 -25.811 1.853 15.121
7 HG2 MET 1 2HG MET 1 -25.756 2.980 12.948
8 HG3 MET 1 1HG MET 1 -24.814 1.647 12.289
9 HE1 MET 1 1HE MET 1 -28.288 1.148 10.565
10 HE2 MET 1 2HE MET 1 -26.552 1.351 10.322
11 HE3 MET 1 3HE MET 1 -27.516 2.685 10.955
12 H ALA 2 H ALA 2 -22.666 4.049 13.247
13 HA ALA 2 HA ALA 2 -24.285 6.294 14.259
14 HB1 ALA 2 1HB ALA 2 -22.356 7.760 13.976
15 HB2 ALA 2 2HB ALA 2 -21.381 6.393 13.442
16 HB3 ALA 2 3HB ALA 2 -21.986 6.449 15.096
17 H THR 3 H THR 3 -25.288 4.950 12.243
18 HA THR 3 HA THR 3 -26.152 5.143 10.160
19 HB THR 3 HB THR 3 -24.632 7.725 9.862
20 HG1 THR 3 HG1 THR 3 -26.545 7.112 11.632
21 HG21 THR 3 1HG2 THR 3 -26.456 8.309 8.337
22 HG22 THR 3 2HG2 THR 3 -27.199 6.736 8.618
23 HG23 THR 3 3HG2 THR 3 -25.634 6.839 7.809
24 H LYS 4 H LYS 4 -25.429 3.725 8.766
25 HA LYS 4 HA LYS 4 -22.627 3.833 7.924
26 HB2 LYS 4 2HB LYS 4 -23.507 1.695 8.885
27 HB3 LYS 4 1HB LYS 4 -24.632 1.601 7.538
28 HG2 LYS 4 2HG LYS 4 -22.809 1.403 5.972
29 HG3 LYS 4 1HG LYS 4 -21.636 1.639 7.265
30 HD2 LYS 4 2HD LYS 4 -21.666 -0.676 6.890
31 HD3 LYS 4 1HD LYS 4 -22.636 -0.439 8.340
32 HE2 LYS 4 2HE LYS 4 -23.846 -0.639 5.594
33 HE3 LYS 4 1HE LYS 4 -23.536 -2.056 6.592
34 HZ1 LYS 4 1HZ LYS 4 -25.376 0.193 7.179
35 HZ2 LYS 4 2HZ LYS 4 -24.944 -0.968 8.326
36 HZ3 LYS 4 3HZ LYS 4 -25.772 -1.429 6.929
37 H HIS 5 H HIS 5 -22.676 5.410 6.447
38 HA HIS 5 HA HIS 5 -24.202 4.889 4.001
39 HB2 HIS 5 2HB HIS 5 -25.498 6.496 5.259
40 HB3 HIS 5 1HB HIS 5 -24.069 7.477 5.549
41 HD1 HIS 5 HD1 HIS 5 -26.307 6.381 2.687
42 HD2 HIS 5 HD2 HIS 5 -23.650 9.423 3.667
43 HE1 HIS 5 HE1 HIS 5 -26.487 8.062 0.825
44 HE2 HIS 5 HE2 HIS 5 -24.963 9.951 1.502
45 H GLY 6 H GLY 6 -22.438 4.306 2.822
46 HA2 GLY 6 2HA GLY 6 -20.769 5.035 1.290
47 HA3 GLY 6 1HA GLY 6 -20.441 6.403 2.344
48 H LYS 7 H LYS 7 -20.837 3.314 3.782
49 HA LYS 7 HA LYS 7 -17.928 3.090 4.150
50 HB2 LYS 7 2HB LYS 7 -19.193 3.703 6.206
51 HB3 LYS 7 1HB LYS 7 -20.122 2.221 6.044
52 HG2 LYS 7 2HG LYS 7 -18.423 1.927 7.700
53 HG3 LYS 7 1HG LYS 7 -18.044 0.923 6.301
54 HD2 LYS 7 2HD LYS 7 -16.420 2.568 5.536
55 HD3 LYS 7 1HD LYS 7 -16.830 3.624 6.891
56 HE2 LYS 7 2HE LYS 7 -16.066 1.891 8.453
57 HE3 LYS 7 1HE LYS 7 -15.634 0.860 7.090
58 HZ1 LYS 7 1HZ LYS 7 -13.999 2.471 6.402
59 HZ2 LYS 7 2HZ LYS 7 -13.727 2.054 8.016
60 HZ3 LYS 7 3HZ LYS 7 -14.457 3.530 7.637
61 H ASN 8 H ASN 8 -18.131 1.892 2.089
62 HA ASN 8 HA ASN 8 -18.315 -0.927 2.573
63 HB2 ASN 8 2HB ASN 8 -19.962 -1.253 0.619
64 HB3 ASN 8 1HB ASN 8 -20.617 -0.769 2.176
65 HD21 ASN 8 1HD2 ASN 8 -22.464 1.539 0.325
66 HD22 ASN 8 2HD2 ASN 8 -22.466 0.049 1.198
67 H SER 9 H SER 9 -18.022 1.645 0.156
68 HA SER 9 HA SER 9 -16.609 -0.006 -1.700
69 HB2 SER 9 2HB SER 9 -16.181 2.277 -2.804
70 HB3 SER 9 1HB SER 9 -17.855 1.735 -2.676
71 HG SER 9 HG SER 9 -16.629 3.895 -1.532
72 H TRP 10 H TRP 10 -15.674 1.285 1.177
73 HA TRP 10 HA TRP 10 -13.128 2.301 0.576
74 HB2 TRP 10 2HB TRP 10 -12.544 1.807 2.915
75 HB3 TRP 10 1HB TRP 10 -14.030 2.666 2.792
76 HD1 TRP 10 HD1 TRP 10 -16.307 1.243 3.390
77 HE1 TRP 10 HE1 TRP 10 -16.536 -0.863 4.893
78 HE3 TRP 10 HE3 TRP 10 -11.495 -0.160 3.353
79 HZ2 TRP 10 HZ2 TRP 10 -14.763 -2.865 5.918
80 HZ3 TRP 10 HZ3 TRP 10 -10.797 -2.105 4.581
81 HH2 TRP 10 HH2 TRP 10 -12.387 -3.473 5.832
82 H LYS 11 H LYS 11 -14.266 -0.997 0.958
83 HA LYS 11 HA LYS 11 -11.791 -2.204 1.520
84 HB2 LYS 11 2HB LYS 11 -14.318 -3.141 0.221
85 HB3 LYS 11 1HB LYS 11 -12.905 -4.164 0.284
86 HG2 LYS 11 2HG LYS 11 -12.918 -4.205 2.654
87 HG3 LYS 11 1HG LYS 11 -14.119 -2.916 2.722
88 HD2 LYS 11 2HD LYS 11 -14.623 -5.631 1.513
89 HD3 LYS 11 1HD LYS 11 -15.018 -5.202 3.178
90 HE2 LYS 11 2HE LYS 11 -16.474 -3.412 2.363
91 HE3 LYS 11 1HE LYS 11 -16.094 -3.858 0.702
92 HZ1 LYS 11 1HZ LYS 11 -18.186 -4.812 1.337
93 HZ2 LYS 11 2HZ LYS 11 -17.501 -5.545 2.697
94 HZ3 LYS 11 3HZ LYS 11 -17.060 -6.058 1.144
95 H THR 12 H THR 12 -13.298 -1.225 -1.425
96 HA THR 12 HA THR 12 -11.398 -2.261 -3.248
97 HB THR 12 HB THR 12 -13.692 -0.421 -3.201
98 HG1 THR 12 HG1 THR 12 -13.236 -2.847 -3.967
99 HG21 THR 12 1HG2 THR 12 -13.379 0.387 -5.468
100 HG22 THR 12 2HG2 THR 12 -11.797 -0.391 -5.552
101 HG23 THR 12 3HG2 THR 12 -12.067 0.946 -4.434
102 H LEU 13 H LEU 13 -11.734 0.738 -1.453
103 HA LEU 13 HA LEU 13 -9.412 2.065 -2.468
104 HB2 LEU 13 2HB LEU 13 -10.541 3.667 -1.341
105 HB3 LEU 13 1HB LEU 13 -11.469 2.471 -0.456
106 HG LEU 13 HG LEU 13 -8.805 2.604 0.609
107 HD11 LEU 13 1HD1 LEU 13 -8.860 4.875 1.497
108 HD12 LEU 13 2HD1 LEU 13 -10.298 5.216 0.534
109 HD13 LEU 13 3HD1 LEU 13 -8.762 4.871 -0.264
110 HD21 LEU 13 1HD2 LEU 13 -10.723 1.715 1.831
111 HD22 LEU 13 2HD2 LEU 13 -11.491 3.305 1.795
112 HD23 LEU 13 3HD2 LEU 13 -9.999 3.071 2.702
113 H TYR 14 H TYR 14 -10.059 -0.369 -0.165
114 HA TYR 14 HA TYR 14 -7.968 0.202 1.639
115 HB2 TYR 14 2HB TYR 14 -10.096 -0.903 2.252
116 HB3 TYR 14 1HB TYR 14 -9.584 -2.328 1.346
117 HD1 TYR 14 HD1 TYR 14 -9.139 -0.356 4.355
118 HD2 TYR 14 HD2 TYR 14 -7.739 -3.676 2.109
119 HE1 TYR 14 HE1 TYR 14 -7.806 -1.119 6.290
120 HE2 TYR 14 HE2 TYR 14 -6.436 -4.466 3.995
121 HH TYR 14 HH TYR 14 -6.866 -3.331 7.135
122 H LEU 15 H LEU 15 -8.332 -2.072 -1.012
123 HA LEU 15 HA LEU 15 -5.871 -3.374 -0.356
124 HB2 LEU 15 2HB LEU 15 -7.370 -3.620 -2.946
125 HB3 LEU 15 1HB LEU 15 -6.236 -4.741 -2.216
126 HG LEU 15 HG LEU 15 -8.868 -4.079 -0.959
127 HD11 LEU 15 1HD1 LEU 15 -9.249 -5.083 -3.157
128 HD12 LEU 15 2HD1 LEU 15 -9.685 -6.193 -1.859
129 HD13 LEU 15 3HD1 LEU 15 -8.171 -6.413 -2.736
130 HD21 LEU 15 1HD2 LEU 15 -6.933 -6.350 -0.542
131 HD22 LEU 15 2HD2 LEU 15 -8.458 -6.112 0.309
132 HD23 LEU 15 3HD2 LEU 15 -7.138 -4.964 0.527
133 H LYS 16 H LYS 16 -6.915 -0.665 -2.148
134 HA LYS 16 HA LYS 16 -4.533 -0.238 -3.639
135 HB2 LYS 16 2HB LYS 16 -6.465 0.969 -4.351
136 HB3 LYS 16 1HB LYS 16 -6.842 1.481 -2.720
137 HG2 LYS 16 2HG LYS 16 -4.338 2.437 -4.027
138 HG3 LYS 16 1HG LYS 16 -5.888 3.187 -4.414
139 HD2 LYS 16 2HD LYS 16 -5.059 2.762 -1.578
140 HD3 LYS 16 1HD LYS 16 -4.450 4.158 -2.477
141 HE2 LYS 16 2HE LYS 16 -7.361 3.463 -2.098
142 HE3 LYS 16 1HE LYS 16 -6.482 4.643 -1.130
143 HZ1 LYS 16 1HZ LYS 16 -6.082 5.924 -3.153
144 HZ2 LYS 16 2HZ LYS 16 -7.735 5.725 -2.866
145 HZ3 LYS 16 3HZ LYS 16 -6.969 4.802 -4.055
146 H ILE 17 H ILE 17 -5.790 0.604 -0.467
147 HA ILE 17 HA ILE 17 -3.658 2.058 0.543
148 HB ILE 17 HB ILE 17 -5.849 0.417 1.727
149 HG12 ILE 17 2HG1 ILE 17 -5.042 3.313 2.032
150 HG13 ILE 17 1HG1 ILE 17 -6.291 2.699 0.954
151 HG21 ILE 17 1HG2 ILE 17 -3.689 1.658 3.407
152 HG22 ILE 17 2HG2 ILE 17 -3.909 -0.069 3.129
153 HG23 ILE 17 3HG2 ILE 17 -5.149 0.847 3.986
154 HD11 ILE 17 1HD1 ILE 17 -7.575 1.935 2.888
155 HD12 ILE 17 2HD1 ILE 17 -7.263 3.671 2.946
156 HD13 ILE 17 3HD1 ILE 17 -6.327 2.571 3.960
157 H SER 18 H SER 18 -4.313 -1.418 0.552
158 HA SER 18 HA SER 18 -2.002 -2.256 1.921
159 HB2 SER 18 2HB SER 18 -3.386 -3.799 -0.282
160 HB3 SER 18 1HB SER 18 -2.500 -4.444 1.101
161 HG SER 18 HG SER 18 -4.511 -2.830 1.916
162 H PHE 19 H PHE 19 -2.671 -1.633 -1.472
163 HA PHE 19 HA PHE 19 -0.344 -2.773 -2.544
164 HB2 PHE 19 2HB PHE 19 -2.403 -2.167 -3.827
165 HB3 PHE 19 1HB PHE 19 -1.936 -0.472 -3.688
166 HD1 PHE 19 HD1 PHE 19 -0.165 0.438 -5.007
167 HD2 PHE 19 HD2 PHE 19 -1.082 -3.714 -5.147
168 HE1 PHE 19 HE1 PHE 19 1.240 0.201 -7.015
169 HE2 PHE 19 HE2 PHE 19 0.322 -3.961 -7.158
170 HZ PHE 19 HZ PHE 19 1.486 -2.000 -8.094
171 H LEU 20 H LEU 20 -1.113 0.677 -2.094
172 HA LEU 20 HA LEU 20 1.480 1.592 -2.647
173 HB2 LEU 20 2HB LEU 20 -0.891 2.767 -1.261
174 HB3 LEU 20 1HB LEU 20 0.641 3.618 -1.224
175 HG LEU 20 HG LEU 20 0.629 3.570 -3.730
176 HD11 LEU 20 1HD1 LEU 20 -1.344 3.019 -4.923
177 HD12 LEU 20 2HD1 LEU 20 -2.248 2.774 -3.429
178 HD13 LEU 20 3HD1 LEU 20 -0.961 1.654 -3.872
179 HD21 LEU 20 1HD2 LEU 20 -0.034 5.558 -2.494
180 HD22 LEU 20 2HD2 LEU 20 -1.684 4.948 -2.377
181 HD23 LEU 20 3HD2 LEU 20 -1.011 5.373 -3.951
182 H GLY 21 H GLY 21 -0.097 0.698 0.384
183 HA2 GLY 21 2HA GLY 21 1.970 1.477 2.126
184 HA3 GLY 21 1HA GLY 21 0.778 0.227 2.451
185 H CYS 22 H CYS 22 1.623 -1.293 0.055
186 HA CYS 22 HA CYS 22 3.844 -2.696 1.277
187 HB2 CYS 22 2HB CYS 22 1.969 -4.012 0.481
188 HB3 CYS 22 1HB CYS 22 2.127 -3.330 -1.133
189 HG CYS 22 HG CYS 22 4.180 -5.585 0.400
190 H LYS 23 H LYS 23 3.289 -0.504 -1.367
191 HA LYS 23 HA LYS 23 5.815 -1.226 -2.626
192 HB2 LYS 23 2HB LYS 23 3.857 -0.709 -4.035
193 HB3 LYS 23 1HB LYS 23 3.809 0.916 -3.368
194 HG2 LYS 23 2HG LYS 23 5.961 1.419 -4.355
195 HG3 LYS 23 1HG LYS 23 6.093 -0.232 -4.958
196 HD2 LYS 23 2HD LYS 23 4.094 0.123 -6.338
197 HD3 LYS 23 1HD LYS 23 3.986 1.780 -5.742
198 HE2 LYS 23 2HE LYS 23 6.146 2.297 -6.725
199 HE3 LYS 23 1HE LYS 23 6.320 0.630 -7.271
200 HZ1 LYS 23 1HZ LYS 23 5.576 2.092 -9.049
201 HZ2 LYS 23 2HZ LYS 23 4.204 2.515 -8.159
202 HZ3 LYS 23 3HZ LYS 23 4.404 0.926 -8.699
203 H VAL 24 H VAL 24 4.389 1.538 -0.942
204 HA VAL 24 HA VAL 24 6.855 3.050 -1.056
205 HB VAL 24 HB VAL 24 4.427 3.946 -1.076
206 HG11 VAL 24 1HG1 VAL 24 4.961 3.443 1.800
207 HG12 VAL 24 2HG1 VAL 24 3.619 2.850 0.826
208 HG13 VAL 24 3HG1 VAL 24 3.721 4.563 1.242
209 HG21 VAL 24 1HG2 VAL 24 6.417 5.375 -1.047
210 HG22 VAL 24 2HG2 VAL 24 6.490 5.227 0.709
211 HG23 VAL 24 3HG2 VAL 24 5.123 6.036 -0.052
212 H VAL 25 H VAL 25 5.998 0.438 0.692
213 HA VAL 25 HA VAL 25 7.363 1.265 3.126
214 HB VAL 25 HB VAL 25 5.455 -0.437 3.078
215 HG11 VAL 25 1HG1 VAL 25 7.668 -2.194 2.033
216 HG12 VAL 25 2HG1 VAL 25 6.206 -1.727 1.158
217 HG13 VAL 25 3HG1 VAL 25 6.090 -2.759 2.591
218 HG21 VAL 25 1HG2 VAL 25 6.470 -1.841 4.823
219 HG22 VAL 25 2HG2 VAL 25 6.826 -0.129 5.047
220 HG23 VAL 25 3HG2 VAL 25 8.057 -1.208 4.390
221 H VAL 26 H VAL 26 7.928 -0.223 0.096
222 HA VAL 26 HA VAL 26 10.321 -1.608 0.661
223 HB VAL 26 HB VAL 26 9.283 -0.509 -1.944
224 HG11 VAL 26 1HG1 VAL 26 10.733 -2.191 -3.005
225 HG12 VAL 26 2HG1 VAL 26 11.367 -2.632 -1.419
226 HG13 VAL 26 3HG1 VAL 26 11.660 -1.019 -2.068
227 HG21 VAL 26 1HG2 VAL 26 8.424 -2.761 -2.351
228 HG22 VAL 26 2HG2 VAL 26 7.713 -2.063 -0.897
229 HG23 VAL 26 3HG2 VAL 26 8.989 -3.271 -0.763
230 H LEU 27 H LEU 27 9.564 1.461 -0.754
231 HA LEU 27 HA LEU 27 12.246 2.015 -1.406
232 HB2 LEU 27 2HB LEU 27 11.432 3.809 -2.623
233 HB3 LEU 27 1HB LEU 27 10.112 2.657 -2.637
234 HG LEU 27 HG LEU 27 10.223 5.338 -1.399
235 HD11 LEU 27 1HD1 LEU 27 7.993 5.420 -2.344
236 HD12 LEU 27 2HD1 LEU 27 8.132 3.724 -2.814
237 HD13 LEU 27 3HD1 LEU 27 9.180 4.936 -3.557
238 HD21 LEU 27 1HD2 LEU 27 8.229 4.740 -0.074
239 HD22 LEU 27 2HD2 LEU 27 9.738 4.043 0.506
240 HD23 LEU 27 3HD2 LEU 27 8.603 3.042 -0.386
241 H LEU 28 H LEU 28 10.397 2.570 1.424
242 HA LEU 28 HA LEU 28 12.407 4.453 2.466
243 HB2 LEU 28 2HB LEU 28 9.896 3.461 3.823
244 HB3 LEU 28 1HB LEU 28 10.954 4.734 4.392
245 HG LEU 28 HG LEU 28 9.191 4.830 1.966
246 HD11 LEU 28 1HD1 LEU 28 7.951 5.000 4.032
247 HD12 LEU 28 2HD1 LEU 28 7.996 6.565 3.220
248 HD13 LEU 28 3HD1 LEU 28 9.042 6.260 4.607
249 HD21 LEU 28 1HD2 LEU 28 11.239 6.075 1.570
250 HD22 LEU 28 2HD2 LEU 28 11.036 6.922 3.103
251 HD23 LEU 28 3HD2 LEU 28 9.882 7.178 1.795
252 H LYS 29 H LYS 29 11.311 1.225 2.568
253 HA LYS 29 HA LYS 29 11.857 -0.648 3.702
254 HB2 LYS 29 2HB LYS 29 14.194 0.981 4.714
255 HB3 LYS 29 1HB LYS 29 13.985 -0.742 4.997
256 HG2 LYS 29 2HG LYS 29 14.318 0.589 2.315
257 HG3 LYS 29 1HG LYS 29 15.547 -0.331 3.183
258 HD2 LYS 29 2HD LYS 29 14.231 -2.348 2.991
259 HD3 LYS 29 1HD LYS 29 12.902 -1.453 2.258
260 HE2 LYS 29 2HE LYS 29 14.115 -2.601 0.529
261 HE3 LYS 29 1HE LYS 29 14.394 -0.870 0.370
262 HZ1 LYS 29 1HZ LYS 29 16.519 -1.179 1.522
263 HZ2 LYS 29 2HZ LYS 29 16.442 -2.060 0.085
264 HZ3 LYS 29 3HZ LYS 29 16.253 -2.848 1.568
265 H ARG 30 H ARG 30 10.082 1.323 4.624
266 HA ARG 30 HA ARG 30 8.756 1.899 6.328
267 HB2 ARG 30 2HB ARG 30 8.625 -0.551 6.632
268 HB3 ARG 30 1HB ARG 30 9.972 -0.464 7.760
269 HG2 ARG 30 2HG ARG 30 8.665 0.936 9.244
270 HG3 ARG 30 1HG ARG 30 7.323 0.919 8.104
271 HD2 ARG 30 2HD ARG 30 6.986 -0.658 9.953
272 HD3 ARG 30 1HD ARG 30 7.067 -1.470 8.392
273 HE ARG 30 HE ARG 30 9.385 -2.076 8.973
274 HH11 ARG 30 1HH1 ARG 30 7.224 -1.149 11.576
275 HH12 ARG 30 2HH1 ARG 30 8.061 -2.084 12.769
276 HH21 ARG 30 1HH2 ARG 30 10.475 -3.317 10.544
277 HH22 ARG 30 2HH2 ARG 30 9.904 -3.327 12.181
Start of MODEL 9
1 H1 MET 1 1H MET 1 -33.299 -2.487 -5.145
2 H2 MET 1 2H MET 1 -32.670 -1.041 -4.539
3 H3 MET 1 3H MET 1 -34.320 -1.168 -4.884
4 HA MET 1 HA MET 1 -33.931 -1.281 -2.530
5 HB2 MET 1 2HB MET 1 -35.136 -3.364 -2.052
6 HB3 MET 1 1HB MET 1 -35.837 -2.510 -3.417
7 HG2 MET 1 2HG MET 1 -34.846 -4.044 -4.966
8 HG3 MET 1 1HG MET 1 -33.932 -4.824 -3.676
9 HE1 MET 1 1HE MET 1 -38.523 -5.055 -4.079
10 HE2 MET 1 2HE MET 1 -37.481 -4.139 -5.168
11 HE3 MET 1 3HE MET 1 -37.689 -3.613 -3.497
12 H ALA 2 H ALA 2 -32.210 -3.787 -4.302
13 HA ALA 2 HA ALA 2 -30.825 -4.644 -1.897
14 HB1 ALA 2 1HB ALA 2 -30.501 -5.571 -4.753
15 HB2 ALA 2 2HB ALA 2 -31.544 -6.320 -3.543
16 HB3 ALA 2 3HB ALA 2 -29.793 -6.327 -3.325
17 H THR 3 H THR 3 -30.195 -2.181 -1.989
18 HA THR 3 HA THR 3 -28.033 -1.512 -3.762
19 HB THR 3 HB THR 3 -28.865 -0.008 -1.279
20 HG1 THR 3 HG1 THR 3 -30.082 -0.157 -3.844
21 HG21 THR 3 1HG2 THR 3 -27.685 0.904 -3.910
22 HG22 THR 3 2HG2 THR 3 -26.811 0.759 -2.385
23 HG23 THR 3 3HG2 THR 3 -28.105 1.946 -2.550
24 H LYS 4 H LYS 4 -25.873 -1.486 -3.311
25 HA LYS 4 HA LYS 4 -24.956 -3.061 -1.107
26 HB2 LYS 4 2HB LYS 4 -23.397 -1.426 -3.116
27 HB3 LYS 4 1HB LYS 4 -22.694 -2.568 -1.977
28 HG2 LYS 4 2HG LYS 4 -23.995 -4.377 -3.035
29 HG3 LYS 4 1HG LYS 4 -24.603 -3.216 -4.215
30 HD2 LYS 4 2HD LYS 4 -21.698 -3.904 -3.780
31 HD3 LYS 4 1HD LYS 4 -22.709 -4.541 -5.077
32 HE2 LYS 4 2HE LYS 4 -23.034 -2.279 -5.937
33 HE3 LYS 4 1HE LYS 4 -22.048 -1.633 -4.626
34 HZ1 LYS 4 1HZ LYS 4 -21.117 -3.496 -6.741
35 HZ2 LYS 4 2HZ LYS 4 -20.167 -2.902 -5.474
36 HZ3 LYS 4 3HZ LYS 4 -20.765 -1.844 -6.650
37 H HIS 5 H HIS 5 -25.292 -2.195 0.806
38 HA HIS 5 HA HIS 5 -23.979 0.345 1.430
39 HB2 HIS 5 2HB HIS 5 -26.415 0.733 0.942
40 HB3 HIS 5 1HB HIS 5 -26.800 -0.322 2.295
41 HD1 HIS 5 HD1 HIS 5 -26.634 0.657 4.645
42 HD2 HIS 5 HD2 HIS 5 -25.297 3.251 1.684
43 HE1 HIS 5 HE1 HIS 5 -26.366 2.889 5.771
44 HE2 HIS 5 HE2 HIS 5 -25.497 4.430 3.977
45 H GLY 6 H GLY 6 -22.412 -0.782 2.551
46 HA2 GLY 6 2HA GLY 6 -23.239 -1.770 5.163
47 HA3 GLY 6 1HA GLY 6 -22.397 -2.915 4.121
48 H LYS 7 H LYS 7 -21.737 0.458 3.953
49 HA LYS 7 HA LYS 7 -19.810 1.597 4.024
50 HB2 LYS 7 2HB LYS 7 -19.379 0.164 6.636
51 HB3 LYS 7 1HB LYS 7 -18.860 1.761 6.159
52 HG2 LYS 7 2HG LYS 7 -21.722 0.978 6.528
53 HG3 LYS 7 1HG LYS 7 -20.742 1.783 7.749
54 HD2 LYS 7 2HD LYS 7 -20.988 2.985 5.026
55 HD3 LYS 7 1HD LYS 7 -22.310 3.166 6.179
56 HE2 LYS 7 2HE LYS 7 -20.837 5.078 6.306
57 HE3 LYS 7 1HE LYS 7 -20.741 4.144 7.795
58 HZ1 LYS 7 1HZ LYS 7 -18.661 3.225 7.102
59 HZ2 LYS 7 2HZ LYS 7 -18.567 4.906 6.956
60 HZ3 LYS 7 3HZ LYS 7 -18.778 3.951 5.579
61 H ASN 8 H ASN 8 -19.367 -0.262 2.307
62 HA ASN 8 HA ASN 8 -16.840 -1.573 3.065
63 HB2 ASN 8 2HB ASN 8 -18.961 -2.388 1.071
64 HB3 ASN 8 1HB ASN 8 -17.357 -3.115 1.107
65 HD21 ASN 8 1HD2 ASN 8 -19.951 -4.980 3.167
66 HD22 ASN 8 2HD2 ASN 8 -20.050 -4.247 1.604
67 H SER 9 H SER 9 -17.787 1.117 1.710
68 HA SER 9 HA SER 9 -16.734 1.064 -0.904
69 HB2 SER 9 2HB SER 9 -16.843 3.576 -0.692
70 HB3 SER 9 1HB SER 9 -18.356 2.736 -0.345
71 HG SER 9 HG SER 9 -16.702 4.187 1.329
72 H TRP 10 H TRP 10 -15.316 1.639 2.200
73 HA TRP 10 HA TRP 10 -12.946 2.901 1.322
74 HB2 TRP 10 2HB TRP 10 -12.005 2.183 3.493
75 HB3 TRP 10 1HB TRP 10 -13.531 2.973 3.690
76 HD1 TRP 10 HD1 TRP 10 -15.683 1.272 4.237
77 HE1 TRP 10 HE1 TRP 10 -15.620 -1.034 5.439
78 HE3 TRP 10 HE3 TRP 10 -10.803 0.359 3.713
79 HZ2 TRP 10 HZ2 TRP 10 -13.597 -2.997 6.039
80 HZ3 TRP 10 HZ3 TRP 10 -9.830 -1.664 4.592
81 HH2 TRP 10 HH2 TRP 10 -11.186 -3.340 5.732
82 H LYS 11 H LYS 11 -13.927 -0.459 1.468
83 HA LYS 11 HA LYS 11 -11.436 -1.677 1.814
84 HB2 LYS 11 2HB LYS 11 -13.740 -2.657 0.128
85 HB3 LYS 11 1HB LYS 11 -12.448 -3.616 0.806
86 HG2 LYS 11 2HG LYS 11 -13.224 -2.943 3.078
87 HG3 LYS 11 1HG LYS 11 -14.610 -2.174 2.303
88 HD2 LYS 11 2HD LYS 11 -15.107 -4.445 3.147
89 HD3 LYS 11 1HD LYS 11 -15.330 -4.295 1.399
90 HE2 LYS 11 2HE LYS 11 -13.240 -5.345 0.967
91 HE3 LYS 11 1HE LYS 11 -12.810 -5.309 2.682
92 HZ1 LYS 11 1HZ LYS 11 -14.633 -6.848 3.120
93 HZ2 LYS 11 2HZ LYS 11 -13.534 -7.507 2.019
94 HZ3 LYS 11 3HZ LYS 11 -15.012 -6.898 1.473
95 H THR 12 H THR 12 -13.085 -0.655 -1.044
96 HA THR 12 HA THR 12 -11.262 -1.530 -2.996
97 HB THR 12 HB THR 12 -13.681 -0.010 -2.666
98 HG1 THR 12 HG1 THR 12 -12.680 -2.036 -4.165
99 HG21 THR 12 1HG2 THR 12 -11.913 0.797 -4.989
100 HG22 THR 12 2HG2 THR 12 -12.435 1.836 -3.662
101 HG23 THR 12 3HG2 THR 12 -13.619 1.213 -4.810
102 H LEU 13 H LEU 13 -11.416 1.192 -0.911
103 HA LEU 13 HA LEU 13 -9.383 2.776 -2.224
104 HB2 LEU 13 2HB LEU 13 -10.556 4.294 -1.016
105 HB3 LEU 13 1HB LEU 13 -11.323 3.024 -0.078
106 HG LEU 13 HG LEU 13 -8.605 3.410 0.807
107 HD11 LEU 13 1HD1 LEU 13 -8.866 5.683 -0.011
108 HD12 LEU 13 2HD1 LEU 13 -8.844 5.650 1.752
109 HD13 LEU 13 3HD1 LEU 13 -10.372 5.847 0.893
110 HD21 LEU 13 1HD2 LEU 13 -11.236 3.848 2.225
111 HD22 LEU 13 2HD2 LEU 13 -9.658 3.649 2.987
112 HD23 LEU 13 3HD2 LEU 13 -10.389 2.302 2.108
113 H TYR 14 H TYR 14 -9.717 0.476 0.313
114 HA TYR 14 HA TYR 14 -7.285 1.245 1.624
115 HB2 TYR 14 2HB TYR 14 -9.238 0.761 2.920
116 HB3 TYR 14 1HB TYR 14 -9.365 -0.852 2.225
117 HD1 TYR 14 HD1 TYR 14 -7.695 -2.550 2.792
118 HD2 TYR 14 HD2 TYR 14 -7.814 1.241 4.695
119 HE1 TYR 14 HE1 TYR 14 -6.225 -3.416 4.538
120 HE2 TYR 14 HE2 TYR 14 -6.318 0.407 6.463
121 HH TYR 14 HH TYR 14 -4.591 -2.489 6.206
122 H LEU 15 H LEU 15 -8.468 -1.501 -0.249
123 HA LEU 15 HA LEU 15 -6.068 -3.011 0.157
124 HB2 LEU 15 2HB LEU 15 -8.165 -3.362 -1.983
125 HB3 LEU 15 1HB LEU 15 -6.960 -4.527 -1.476
126 HG LEU 15 HG LEU 15 -9.129 -3.508 0.331
127 HD11 LEU 15 1HD1 LEU 15 -9.004 -6.082 -1.238
128 HD12 LEU 15 2HD1 LEU 15 -10.105 -4.738 -1.542
129 HD13 LEU 15 3HD1 LEU 15 -10.230 -5.659 -0.043
130 HD21 LEU 15 1HD2 LEU 15 -8.500 -5.418 1.716
131 HD22 LEU 15 2HD2 LEU 15 -7.139 -4.323 1.473
132 HD23 LEU 15 3HD2 LEU 15 -7.225 -5.832 0.568
133 H LYS 16 H LYS 16 -7.104 -0.455 -1.750
134 HA LYS 16 HA LYS 16 -5.039 -0.539 -3.731
135 HB2 LYS 16 2HB LYS 16 -7.083 0.668 -4.204
136 HB3 LYS 16 1HB LYS 16 -6.966 1.556 -2.703
137 HG2 LYS 16 2HG LYS 16 -4.842 1.888 -4.763
138 HG3 LYS 16 1HG LYS 16 -6.395 2.710 -4.943
139 HD2 LYS 16 2HD LYS 16 -6.086 3.562 -2.597
140 HD3 LYS 16 1HD LYS 16 -4.438 2.939 -2.671
141 HE2 LYS 16 2HE LYS 16 -4.442 5.301 -3.222
142 HE3 LYS 16 1HE LYS 16 -4.014 4.356 -4.646
143 HZ1 LYS 16 1HZ LYS 16 -6.290 4.592 -5.437
144 HZ2 LYS 16 2HZ LYS 16 -5.579 6.104 -5.194
145 HZ3 LYS 16 3HZ LYS 16 -6.693 5.505 -4.073
146 H ILE 17 H ILE 17 -5.655 0.963 -0.606
147 HA ILE 17 HA ILE 17 -3.290 2.393 -0.290
148 HB ILE 17 HB ILE 17 -5.372 1.300 1.542
149 HG12 ILE 17 2HG1 ILE 17 -4.318 4.090 1.051
150 HG13 ILE 17 1HG1 ILE 17 -5.756 3.392 0.312
151 HG21 ILE 17 1HG2 ILE 17 -2.895 2.656 2.566
152 HG22 ILE 17 2HG2 ILE 17 -3.258 0.939 2.722
153 HG23 ILE 17 3HG2 ILE 17 -4.290 2.129 3.516
154 HD11 ILE 17 1HD1 ILE 17 -5.356 3.921 3.248
155 HD12 ILE 17 2HD1 ILE 17 -6.798 3.218 2.514
156 HD13 ILE 17 3HD1 ILE 17 -6.336 4.878 2.137
157 H SER 18 H SER 18 -4.183 -0.895 0.651
158 HA SER 18 HA SER 18 -1.827 -1.676 1.930
159 HB2 SER 18 2HB SER 18 -3.496 -3.466 0.146
160 HB3 SER 18 1HB SER 18 -2.565 -3.927 1.572
161 HG SER 18 HG SER 18 -4.038 -2.497 2.764
162 H PHE 19 H PHE 19 -2.730 -1.628 -1.443
163 HA PHE 19 HA PHE 19 -0.561 -3.120 -2.463
164 HB2 PHE 19 2HB PHE 19 -2.738 -2.756 -3.606
165 HB3 PHE 19 1HB PHE 19 -2.311 -1.065 -3.839
166 HD1 PHE 19 HD1 PHE 19 -1.672 -4.496 -4.848
167 HD2 PHE 19 HD2 PHE 19 -0.688 -0.407 -5.477
168 HE1 PHE 19 HE1 PHE 19 -0.578 -5.096 -6.974
169 HE2 PHE 19 HE2 PHE 19 0.410 -0.995 -7.606
170 HZ PHE 19 HZ PHE 19 0.464 -3.341 -8.355
171 H LEU 20 H LEU 20 -1.193 0.392 -2.440
172 HA LEU 20 HA LEU 20 1.385 1.020 -3.507
173 HB2 LEU 20 2HB LEU 20 -0.640 2.771 -2.125
174 HB3 LEU 20 1HB LEU 20 0.773 3.349 -2.989
175 HG LEU 20 HG LEU 20 -1.609 1.925 -4.162
176 HD11 LEU 20 1HD1 LEU 20 -1.903 4.013 -5.403
177 HD12 LEU 20 2HD1 LEU 20 -0.534 4.716 -4.541
178 HD13 LEU 20 3HD1 LEU 20 -1.996 4.272 -3.660
179 HD21 LEU 20 1HD2 LEU 20 0.459 1.182 -5.222
180 HD22 LEU 20 2HD2 LEU 20 0.905 2.860 -5.527
181 HD23 LEU 20 3HD2 LEU 20 -0.514 2.169 -6.314
182 H GLY 21 H GLY 21 0.046 0.593 -0.355
183 HA2 GLY 21 2HA GLY 21 2.161 1.716 1.162
184 HA3 GLY 21 1HA GLY 21 1.019 0.499 1.723
185 H CYS 22 H CYS 22 1.829 -1.256 -0.571
186 HA CYS 22 HA CYS 22 4.046 -2.586 0.645
187 HB2 CYS 22 2HB CYS 22 2.538 -3.050 -1.931
188 HB3 CYS 22 1HB CYS 22 3.847 -4.086 -1.386
189 HG CYS 22 HG CYS 22 0.830 -3.619 0.146
190 H LYS 23 H LYS 23 3.672 -0.183 -1.807
191 HA LYS 23 HA LYS 23 6.408 -0.528 -2.737
192 HB2 LYS 23 2HB LYS 23 4.257 1.443 -3.508
193 HB3 LYS 23 1HB LYS 23 5.885 1.469 -4.171
194 HG2 LYS 23 2HG LYS 23 3.934 -0.810 -4.414
195 HG3 LYS 23 1HG LYS 23 4.303 0.371 -5.671
196 HD2 LYS 23 2HD LYS 23 6.646 -0.372 -5.661
197 HD3 LYS 23 1HD LYS 23 6.254 -1.571 -4.428
198 HE2 LYS 23 2HE LYS 23 6.317 -2.619 -6.606
199 HE3 LYS 23 1HE LYS 23 4.672 -2.621 -5.981
200 HZ1 LYS 23 1HZ LYS 23 4.688 -2.007 -8.297
201 HZ2 LYS 23 2HZ LYS 23 5.770 -0.744 -8.000
202 HZ3 LYS 23 3HZ LYS 23 4.202 -0.680 -7.371
203 H VAL 24 H VAL 24 4.465 1.715 -0.882
204 HA VAL 24 HA VAL 24 6.784 3.364 -0.347
205 HB VAL 24 HB VAL 24 3.912 3.649 0.517
206 HG11 VAL 24 1HG1 VAL 24 5.501 4.793 2.030
207 HG12 VAL 24 2HG1 VAL 24 4.398 5.880 1.188
208 HG13 VAL 24 3HG1 VAL 24 6.063 5.720 0.644
209 HG21 VAL 24 1HG2 VAL 24 3.888 5.443 -1.197
210 HG22 VAL 24 2HG2 VAL 24 4.115 3.820 -1.855
211 HG23 VAL 24 3HG2 VAL 24 5.498 4.909 -1.692
212 H VAL 25 H VAL 25 5.999 0.498 0.769
213 HA VAL 25 HA VAL 25 6.926 1.010 3.496
214 HB VAL 25 HB VAL 25 5.335 -0.885 2.931
215 HG11 VAL 25 1HG1 VAL 25 7.821 -2.076 1.724
216 HG12 VAL 25 2HG1 VAL 25 6.337 -1.651 0.876
217 HG13 VAL 25 3HG1 VAL 25 6.331 -2.961 2.058
218 HG21 VAL 25 1HG2 VAL 25 6.567 -0.823 5.027
219 HG22 VAL 25 2HG2 VAL 25 7.923 -1.647 4.261
220 HG23 VAL 25 3HG2 VAL 25 6.376 -2.475 4.445
221 H VAL 26 H VAL 26 8.032 0.214 0.339
222 HA VAL 26 HA VAL 26 10.529 -0.943 0.982
223 HB VAL 26 HB VAL 26 9.621 0.405 -1.552
224 HG11 VAL 26 1HG1 VAL 26 11.898 -1.515 -1.061
225 HG12 VAL 26 2HG1 VAL 26 12.030 0.189 -1.490
226 HG13 VAL 26 3HG1 VAL 26 11.361 -0.962 -2.646
227 HG21 VAL 26 1HG2 VAL 26 9.094 -1.848 -2.357
228 HG22 VAL 26 2HG2 VAL 26 8.146 -1.436 -0.929
229 HG23 VAL 26 3HG2 VAL 26 9.534 -2.514 -0.785
230 H LEU 27 H LEU 27 9.571 2.185 -0.223
231 HA LEU 27 HA LEU 27 12.120 3.279 -0.369
232 HB2 LEU 27 2HB LEU 27 11.093 5.290 -0.975
233 HB3 LEU 27 1HB LEU 27 10.041 4.024 -1.556
234 HG LEU 27 HG LEU 27 9.521 6.142 0.430
235 HD11 LEU 27 1HD1 LEU 27 7.325 6.044 -0.615
236 HD12 LEU 27 2HD1 LEU 27 7.808 4.611 -1.514
237 HD13 LEU 27 3HD1 LEU 27 8.598 6.160 -1.830
238 HD21 LEU 27 1HD2 LEU 27 7.608 4.794 1.345
239 HD22 LEU 27 2HD2 LEU 27 9.206 4.353 1.938
240 HD23 LEU 27 3HD2 LEU 27 8.419 3.362 0.710
241 H LEU 28 H LEU 28 10.127 2.736 2.302
242 HA LEU 28 HA LEU 28 11.532 4.658 3.992
243 HB2 LEU 28 2HB LEU 28 9.315 4.981 4.407
244 HB3 LEU 28 1HB LEU 28 8.884 3.341 3.979
245 HG LEU 28 HG LEU 28 9.817 2.613 6.173
246 HD11 LEU 28 1HD1 LEU 28 11.243 4.532 6.654
247 HD12 LEU 28 2HD1 LEU 28 10.048 4.318 7.933
248 HD13 LEU 28 3HD1 LEU 28 9.828 5.582 6.726
249 HD21 LEU 28 1HD2 LEU 28 7.514 4.553 6.186
250 HD22 LEU 28 2HD2 LEU 28 7.848 3.360 7.440
251 HD23 LEU 28 3HD2 LEU 28 7.439 2.831 5.810
252 H LYS 29 H LYS 29 11.058 1.315 3.330
253 HA LYS 29 HA LYS 29 12.087 -0.582 3.958
254 HB2 LYS 29 2HB LYS 29 14.120 0.934 3.666
255 HB3 LYS 29 1HB LYS 29 14.120 1.104 5.414
256 HG2 LYS 29 2HG LYS 29 15.719 -0.580 4.648
257 HG3 LYS 29 1HG LYS 29 14.471 -1.276 5.679
258 HD2 LYS 29 2HD LYS 29 14.984 -2.691 3.724
259 HD3 LYS 29 1HD LYS 29 13.307 -2.153 3.746
260 HE2 LYS 29 2HE LYS 29 14.248 -2.009 1.502
261 HE3 LYS 29 1HE LYS 29 13.838 -0.409 2.118
262 HZ1 LYS 29 1HZ LYS 29 16.558 -1.597 2.085
263 HZ2 LYS 29 2HZ LYS 29 16.164 -0.053 2.651
264 HZ3 LYS 29 3HZ LYS 29 15.984 -0.425 1.011
265 H ARG 30 H ARG 30 9.999 0.523 5.540
266 HA ARG 30 HA ARG 30 10.583 -0.872 8.047
267 HB2 ARG 30 2HB ARG 30 10.895 1.541 8.465
268 HB3 ARG 30 1HB ARG 30 9.260 1.840 7.898
269 HG2 ARG 30 2HG ARG 30 8.354 0.554 9.732
270 HG3 ARG 30 1HG ARG 30 9.985 0.169 10.288
271 HD2 ARG 30 2HD ARG 30 10.430 2.507 10.709
272 HD3 ARG 30 1HD ARG 30 8.857 2.953 10.052
273 HE ARG 30 HE ARG 30 8.595 1.119 12.210
274 HH11 ARG 30 1HH1 ARG 30 9.215 4.476 11.472
275 HH12 ARG 30 2HH1 ARG 30 8.590 5.060 12.980
276 HH21 ARG 30 1HH2 ARG 30 7.743 1.885 14.197
277 HH22 ARG 30 2HH2 ARG 30 7.743 3.592 14.520
Start of MODEL 10
1 H1 MET 1 1H MET 1 -31.457 -3.130 11.109
2 H2 MET 1 2H MET 1 -32.078 -1.636 10.629
3 H3 MET 1 3H MET 1 -32.206 -2.125 12.241
4 HA MET 1 HA MET 1 -30.471 -0.475 11.967
5 HB2 MET 1 2HB MET 1 -30.309 -2.304 13.681
6 HB3 MET 1 1HB MET 1 -29.329 -3.216 12.540
7 HG2 MET 1 2HG MET 1 -27.626 -1.505 12.582
8 HG3 MET 1 1HG MET 1 -28.621 -0.507 13.640
9 HE1 MET 1 1HE MET 1 -25.616 -1.201 14.345
10 HE2 MET 1 2HE MET 1 -25.760 -1.606 16.054
11 HE3 MET 1 3HE MET 1 -26.672 -0.253 15.391
12 H ALA 2 H ALA 2 -29.884 0.352 10.025
13 HA ALA 2 HA ALA 2 -28.754 -1.329 7.974
14 HB1 ALA 2 1HB ALA 2 -30.273 0.498 7.394
15 HB2 ALA 2 2HB ALA 2 -28.701 0.692 6.619
16 HB3 ALA 2 3HB ALA 2 -29.113 1.664 8.032
17 H THR 3 H THR 3 -26.777 -2.058 8.464
18 HA THR 3 HA THR 3 -24.734 -0.314 9.520
19 HB THR 3 HB THR 3 -24.422 -3.153 8.529
20 HG1 THR 3 HG1 THR 3 -25.629 -3.663 10.186
21 HG21 THR 3 1HG2 THR 3 -22.313 -1.961 8.894
22 HG22 THR 3 2HG2 THR 3 -22.540 -3.224 10.103
23 HG23 THR 3 3HG2 THR 3 -22.828 -1.537 10.525
24 H LYS 4 H LYS 4 -26.035 -0.964 6.588
25 HA LYS 4 HA LYS 4 -23.603 -0.289 5.103
26 HB2 LYS 4 2HB LYS 4 -26.290 -1.302 4.159
27 HB3 LYS 4 1HB LYS 4 -24.996 -0.817 3.074
28 HG2 LYS 4 2HG LYS 4 -23.565 -2.567 3.951
29 HG3 LYS 4 1HG LYS 4 -24.808 -3.025 5.113
30 HD2 LYS 4 2HD LYS 4 -25.138 -3.126 2.116
31 HD3 LYS 4 1HD LYS 4 -24.715 -4.508 3.126
32 HE2 LYS 4 2HE LYS 4 -26.828 -4.187 4.372
33 HE3 LYS 4 1HE LYS 4 -27.255 -2.887 3.262
34 HZ1 LYS 4 1HZ LYS 4 -28.294 -4.979 2.639
35 HZ2 LYS 4 2HZ LYS 4 -26.780 -5.716 2.502
36 HZ3 LYS 4 3HZ LYS 4 -27.213 -4.469 1.446
37 H HIS 5 H HIS 5 -23.440 1.834 5.611
38 HA HIS 5 HA HIS 5 -25.576 3.585 4.596
39 HB2 HIS 5 2HB HIS 5 -25.302 3.412 7.142
40 HB3 HIS 5 1HB HIS 5 -23.774 4.253 6.919
41 HD1 HIS 5 HD1 HIS 5 -27.087 4.953 7.839
42 HD2 HIS 5 HD2 HIS 5 -24.362 6.818 5.312
43 HE1 HIS 5 HE1 HIS 5 -27.881 7.325 7.621
44 HE2 HIS 5 HE2 HIS 5 -26.198 8.451 6.121
45 H GLY 6 H GLY 6 -22.150 3.539 5.579
46 HA2 GLY 6 2HA GLY 6 -21.491 4.900 3.063
47 HA3 GLY 6 1HA GLY 6 -20.958 5.619 4.574
48 H LYS 7 H LYS 7 -20.496 2.968 5.794
49 HA LYS 7 HA LYS 7 -17.782 2.673 4.908
50 HB2 LYS 7 2HB LYS 7 -19.328 1.090 6.967
51 HB3 LYS 7 1HB LYS 7 -17.591 1.034 6.725
52 HG2 LYS 7 2HG LYS 7 -19.145 3.464 7.555
53 HG3 LYS 7 1HG LYS 7 -18.260 2.401 8.646
54 HD2 LYS 7 2HD LYS 7 -16.181 2.931 7.477
55 HD3 LYS 7 1HD LYS 7 -17.068 3.993 6.379
56 HE2 LYS 7 2HE LYS 7 -17.071 4.335 9.357
57 HE3 LYS 7 1HE LYS 7 -15.893 5.120 8.307
58 HZ1 LYS 7 1HZ LYS 7 -17.784 6.554 8.829
59 HZ2 LYS 7 2HZ LYS 7 -18.841 5.447 8.114
60 HZ3 LYS 7 3HZ LYS 7 -17.685 6.242 7.170
61 H ASN 8 H ASN 8 -18.068 1.940 2.777
62 HA ASN 8 HA ASN 8 -18.173 -0.942 2.610
63 HB2 ASN 8 2HB ASN 8 -20.553 -0.290 2.293
64 HB3 ASN 8 1HB ASN 8 -20.073 0.706 0.921
65 HD21 ASN 8 1HD2 ASN 8 -20.850 -2.033 -1.066
66 HD22 ASN 8 2HD2 ASN 8 -21.255 -0.426 -0.572
67 H SER 9 H SER 9 -18.020 2.105 0.815
68 HA SER 9 HA SER 9 -16.666 0.994 -1.418
69 HB2 SER 9 2HB SER 9 -16.860 3.895 -0.600
70 HB3 SER 9 1HB SER 9 -16.511 3.273 -2.214
71 HG SER 9 HG SER 9 -18.728 3.920 -1.883
72 H TRP 10 H TRP 10 -15.552 1.644 1.645
73 HA TRP 10 HA TRP 10 -13.014 2.735 1.084
74 HB2 TRP 10 2HB TRP 10 -12.330 1.802 3.270
75 HB3 TRP 10 1HB TRP 10 -13.759 2.756 3.373
76 HD1 TRP 10 HD1 TRP 10 -16.109 1.359 3.794
77 HE1 TRP 10 HE1 TRP 10 -16.404 -0.937 4.973
78 HE3 TRP 10 HE3 TRP 10 -11.390 -0.229 3.386
79 HZ2 TRP 10 HZ2 TRP 10 -14.707 -3.149 5.631
80 HZ3 TRP 10 HZ3 TRP 10 -10.745 -2.373 4.290
81 HH2 TRP 10 HH2 TRP 10 -12.364 -3.843 5.381
82 H LYS 11 H LYS 11 -14.227 -0.554 0.975
83 HA LYS 11 HA LYS 11 -11.780 -1.903 1.199
84 HB2 LYS 11 2HB LYS 11 -14.386 -2.514 -0.138
85 HB3 LYS 11 1HB LYS 11 -13.005 -3.558 -0.355
86 HG2 LYS 11 2HG LYS 11 -12.928 -4.151 1.903
87 HG3 LYS 11 1HG LYS 11 -13.943 -2.788 2.372
88 HD2 LYS 11 2HD LYS 11 -14.875 -5.127 0.709
89 HD3 LYS 11 1HD LYS 11 -15.117 -4.975 2.450
90 HE2 LYS 11 2HE LYS 11 -16.288 -2.800 1.992
91 HE3 LYS 11 1HE LYS 11 -16.214 -3.201 0.279
92 HZ1 LYS 11 1HZ LYS 11 -18.335 -3.810 1.247
93 HZ2 LYS 11 2HZ LYS 11 -17.562 -4.820 2.367
94 HZ3 LYS 11 3HZ LYS 11 -17.506 -5.184 0.717
95 H THR 12 H THR 12 -13.358 -0.386 -1.476
96 HA THR 12 HA THR 12 -11.603 -1.073 -3.562
97 HB THR 12 HB THR 12 -13.748 0.846 -2.977
98 HG1 THR 12 HG1 THR 12 -13.157 -0.872 -5.164
99 HG21 THR 12 1HG2 THR 12 -11.931 1.334 -5.343
100 HG22 THR 12 2HG2 THR 12 -12.115 2.391 -3.942
101 HG23 THR 12 3HG2 THR 12 -13.475 2.134 -5.034
102 H LEU 13 H LEU 13 -11.519 1.320 -1.048
103 HA LEU 13 HA LEU 13 -9.181 2.732 -2.026
104 HB2 LEU 13 2HB LEU 13 -10.144 4.250 -0.644
105 HB3 LEU 13 1HB LEU 13 -11.195 3.028 0.045
106 HG LEU 13 HG LEU 13 -8.526 2.801 1.124
107 HD11 LEU 13 1HD1 LEU 13 -9.919 5.451 1.466
108 HD12 LEU 13 2HD1 LEU 13 -8.369 5.180 0.670
109 HD13 LEU 13 3HD1 LEU 13 -8.529 4.896 2.402
110 HD21 LEU 13 1HD2 LEU 13 -9.730 2.926 3.255
111 HD22 LEU 13 2HD2 LEU 13 -10.529 1.809 2.145
112 HD23 LEU 13 3HD2 LEU 13 -11.195 3.423 2.405
113 H TYR 14 H TYR 14 -9.964 0.021 -0.109
114 HA TYR 14 HA TYR 14 -7.780 0.249 1.701
115 HB2 TYR 14 2HB TYR 14 -9.987 -0.642 2.333
116 HB3 TYR 14 1HB TYR 14 -9.699 -2.042 1.305
117 HD1 TYR 14 HD1 TYR 14 -8.175 -3.734 1.931
118 HD2 TYR 14 HD2 TYR 14 -8.718 -0.299 4.361
119 HE1 TYR 14 HE1 TYR 14 -6.873 -4.814 3.684
120 HE2 TYR 14 HE2 TYR 14 -7.397 -1.360 6.155
121 HH TYR 14 HH TYR 14 -5.458 -4.047 5.663
122 H LEU 15 H LEU 15 -8.579 -1.936 -0.970
123 HA LEU 15 HA LEU 15 -6.226 -3.497 -0.546
124 HB2 LEU 15 2HB LEU 15 -7.937 -3.425 -3.021
125 HB3 LEU 15 1HB LEU 15 -6.860 -4.703 -2.488
126 HG LEU 15 HG LEU 15 -9.304 -3.880 -0.961
127 HD11 LEU 15 1HD1 LEU 15 -10.363 -5.887 -1.880
128 HD12 LEU 15 2HD1 LEU 15 -8.951 -6.157 -2.904
129 HD13 LEU 15 3HD1 LEU 15 -9.957 -4.730 -3.149
130 HD21 LEU 15 1HD2 LEU 15 -7.553 -4.977 0.342
131 HD22 LEU 15 2HD2 LEU 15 -7.557 -6.326 -0.794
132 HD23 LEU 15 3HD2 LEU 15 -8.983 -5.995 0.189
133 H LYS 16 H LYS 16 -6.994 -0.578 -1.978
134 HA LYS 16 HA LYS 16 -4.703 -0.320 -3.676
135 HB2 LYS 16 2HB LYS 16 -6.672 1.024 -4.133
136 HB3 LYS 16 1HB LYS 16 -6.719 1.597 -2.482
137 HG2 LYS 16 2HG LYS 16 -4.352 2.234 -4.166
138 HG3 LYS 16 1HG LYS 16 -5.853 3.139 -4.373
139 HD2 LYS 16 2HD LYS 16 -5.853 3.574 -1.926
140 HD3 LYS 16 1HD LYS 16 -4.270 2.804 -1.835
141 HE2 LYS 16 2HE LYS 16 -3.988 5.204 -1.937
142 HE3 LYS 16 1HE LYS 16 -3.399 4.479 -3.431
143 HZ1 LYS 16 1HZ LYS 16 -6.041 5.778 -3.074
144 HZ2 LYS 16 2HZ LYS 16 -5.469 5.093 -4.507
145 HZ3 LYS 16 3HZ LYS 16 -4.711 6.459 -3.860
146 H ILE 17 H ILE 17 -5.701 0.550 -0.413
147 HA ILE 17 HA ILE 17 -3.387 1.817 0.469
148 HB ILE 17 HB ILE 17 -5.701 0.461 1.757
149 HG12 ILE 17 2HG1 ILE 17 -4.517 3.228 2.016
150 HG13 ILE 17 1HG1 ILE 17 -5.871 2.781 0.981
151 HG21 ILE 17 1HG2 ILE 17 -4.876 0.786 3.985
152 HG22 ILE 17 2HG2 ILE 17 -3.356 1.438 3.364
153 HG23 ILE 17 3HG2 ILE 17 -3.766 -0.255 3.089
154 HD11 ILE 17 1HD1 ILE 17 -6.640 3.869 3.001
155 HD12 ILE 17 2HD1 ILE 17 -5.815 2.661 3.987
156 HD13 ILE 17 3HD1 ILE 17 -7.172 2.187 2.965
157 H SER 18 H SER 18 -4.409 -1.562 0.620
158 HA SER 18 HA SER 18 -2.136 -2.576 1.938
159 HB2 SER 18 2HB SER 18 -3.875 -4.028 -0.070
160 HB3 SER 18 1HB SER 18 -2.903 -4.751 1.210
161 HG SER 18 HG SER 18 -4.331 -3.252 2.593
162 H PHE 19 H PHE 19 -2.655 -1.535 -1.288
163 HA PHE 19 HA PHE 19 -0.518 -3.125 -2.419
164 HB2 PHE 19 2HB PHE 19 -2.680 -2.547 -3.610
165 HB3 PHE 19 1HB PHE 19 -2.074 -0.901 -3.741
166 HD1 PHE 19 HD1 PHE 19 -1.899 -4.270 -5.007
167 HD2 PHE 19 HD2 PHE 19 -0.065 -0.436 -5.103
168 HE1 PHE 19 HE1 PHE 19 -0.724 -4.890 -7.080
169 HE2 PHE 19 HE2 PHE 19 1.111 -1.044 -7.175
170 HZ PHE 19 HZ PHE 19 0.783 -3.275 -8.167
171 H LEU 20 H LEU 20 -1.204 0.390 -2.250
172 HA LEU 20 HA LEU 20 1.445 1.059 -3.016
173 HB2 LEU 20 2HB LEU 20 -0.867 2.637 -1.974
174 HB3 LEU 20 1HB LEU 20 0.712 3.383 -2.130
175 HG LEU 20 HG LEU 20 0.681 2.681 -4.554
176 HD11 LEU 20 1HD1 LEU 20 -1.055 0.956 -4.278
177 HD12 LEU 20 2HD1 LEU 20 -1.402 2.104 -5.571
178 HD13 LEU 20 3HD1 LEU 20 -2.241 2.235 -4.026
179 HD21 LEU 20 1HD2 LEU 20 0.268 4.971 -3.901
180 HD22 LEU 20 2HD2 LEU 20 -1.425 4.602 -3.583
181 HD23 LEU 20 3HD2 LEU 20 -0.802 4.522 -5.229
182 H GLY 21 H GLY 21 -0.151 0.713 0.105
183 HA2 GLY 21 2HA GLY 21 1.966 1.785 1.656
184 HA3 GLY 21 1HA GLY 21 0.753 0.644 2.226
185 H CYS 22 H CYS 22 1.692 -1.068 -0.155
186 HA CYS 22 HA CYS 22 3.761 -2.499 1.281
187 HB2 CYS 22 2HB CYS 22 1.850 -3.704 0.260
188 HB3 CYS 22 1HB CYS 22 2.372 -3.163 -1.329
189 HG CYS 22 HG CYS 22 3.551 -5.650 0.593
190 H LYS 23 H LYS 23 3.384 -0.421 -1.504
191 HA LYS 23 HA LYS 23 6.086 -0.984 -2.421
192 HB2 LYS 23 2HB LYS 23 4.066 1.024 -3.424
193 HB3 LYS 23 1HB LYS 23 5.594 0.638 -4.201
194 HG2 LYS 23 2HG LYS 23 4.835 -1.653 -4.568
195 HG3 LYS 23 1HG LYS 23 3.304 -1.272 -3.779
196 HD2 LYS 23 2HD LYS 23 3.024 -1.196 -6.177
197 HD3 LYS 23 1HD LYS 23 2.870 0.429 -5.514
198 HE2 LYS 23 2HE LYS 23 5.124 0.966 -6.196
199 HE3 LYS 23 1HE LYS 23 5.385 -0.688 -6.748
200 HZ1 LYS 23 1HZ LYS 23 3.761 -0.382 -8.461
201 HZ2 LYS 23 2HZ LYS 23 4.872 0.890 -8.553
202 HZ3 LYS 23 3HZ LYS 23 3.347 1.149 -7.877
203 H VAL 24 H VAL 24 4.314 1.505 -0.744
204 HA VAL 24 HA VAL 24 6.645 3.206 -0.599
205 HB VAL 24 HB VAL 24 3.900 3.506 0.609
206 HG11 VAL 24 1HG1 VAL 24 4.422 5.790 1.063
207 HG12 VAL 24 2HG1 VAL 24 6.014 5.604 0.339
208 HG13 VAL 24 3HG1 VAL 24 5.630 4.768 1.840
209 HG21 VAL 24 1HG2 VAL 24 3.622 5.191 -1.192
210 HG22 VAL 24 2HG2 VAL 24 3.800 3.534 -1.771
211 HG23 VAL 24 3HG2 VAL 24 5.167 4.648 -1.854
212 H VAL 25 H VAL 25 6.044 0.413 0.800
213 HA VAL 25 HA VAL 25 7.246 1.132 3.360
214 HB VAL 25 HB VAL 25 5.620 -0.873 2.840
215 HG11 VAL 25 1HG1 VAL 25 6.842 -2.995 2.525
216 HG12 VAL 25 2HG1 VAL 25 8.308 -2.063 2.206
217 HG13 VAL 25 3HG1 VAL 25 6.924 -1.927 1.121
218 HG21 VAL 25 1HG2 VAL 25 8.007 -1.151 4.648
219 HG22 VAL 25 2HG2 VAL 25 6.519 -2.095 4.755
220 HG23 VAL 25 3HG2 VAL 25 6.483 -0.355 5.039
221 H VAL 26 H VAL 26 7.991 0.141 0.182
222 HA VAL 26 HA VAL 26 10.564 -0.983 0.592
223 HB VAL 26 HB VAL 26 9.300 0.138 -1.902
224 HG11 VAL 26 1HG1 VAL 26 11.616 -1.772 -1.584
225 HG12 VAL 26 2HG1 VAL 26 11.714 -0.096 -2.122
226 HG13 VAL 26 3HG1 VAL 26 10.884 -1.296 -3.113
227 HG21 VAL 26 1HG2 VAL 26 9.326 -2.695 -0.857
228 HG22 VAL 26 2HG2 VAL 26 8.699 -2.190 -2.426
229 HG23 VAL 26 3HG2 VAL 26 7.927 -1.624 -0.944
230 H LEU 27 H LEU 27 9.371 2.035 -0.679
231 HA LEU 27 HA LEU 27 11.866 3.080 -1.292
232 HB2 LEU 27 2HB LEU 27 10.794 5.067 -1.915
233 HB3 LEU 27 1HB LEU 27 9.692 3.763 -2.284
234 HG LEU 27 HG LEU 27 9.367 6.046 -0.461
235 HD11 LEU 27 1HD1 LEU 27 7.506 4.289 -2.046
236 HD12 LEU 27 2HD1 LEU 27 8.142 5.862 -2.534
237 HD13 LEU 27 3HD1 LEU 27 7.030 5.741 -1.170
238 HD21 LEU 27 1HD2 LEU 27 9.366 4.362 1.211
239 HD22 LEU 27 2HD2 LEU 27 8.350 3.307 0.237
240 HD23 LEU 27 3HD2 LEU 27 7.691 4.810 0.894
241 H LEU 28 H LEU 28 10.307 2.835 1.751
242 HA LEU 28 HA LEU 28 12.063 4.857 2.957
243 HB2 LEU 28 2HB LEU 28 10.073 3.050 4.334
244 HB3 LEU 28 1HB LEU 28 10.894 4.427 5.036
245 HG LEU 28 HG LEU 28 8.794 4.502 2.888
246 HD11 LEU 28 1HD1 LEU 28 7.450 5.625 4.587
247 HD12 LEU 28 2HD1 LEU 28 8.751 5.410 5.757
248 HD13 LEU 28 3HD1 LEU 28 7.918 4.003 5.097
249 HD21 LEU 28 1HD2 LEU 28 10.432 6.265 2.524
250 HD22 LEU 28 2HD2 LEU 28 10.294 6.762 4.211
251 HD23 LEU 28 3HD2 LEU 28 8.918 6.945 3.122
252 H LYS 29 H LYS 29 11.751 1.530 2.407
253 HA LYS 29 HA LYS 29 12.985 -0.308 2.892
254 HB2 LYS 29 2HB LYS 29 14.977 1.692 3.984
255 HB3 LYS 29 1HB LYS 29 15.293 -0.026 3.787
256 HG2 LYS 29 2HG LYS 29 14.600 1.858 1.543
257 HG3 LYS 29 1HG LYS 29 16.237 1.379 1.984
258 HD2 LYS 29 2HD LYS 29 14.058 -0.533 1.145
259 HD3 LYS 29 1HD LYS 29 15.307 0.097 0.071
260 HE2 LYS 29 2HE LYS 29 17.028 -0.918 1.494
261 HE3 LYS 29 1HE LYS 29 15.771 -1.560 2.550
262 HZ1 LYS 29 1HZ LYS 29 14.914 -2.817 0.641
263 HZ2 LYS 29 2HZ LYS 29 16.500 -3.248 1.027
264 HZ3 LYS 29 3HZ LYS 29 16.196 -2.253 -0.304
265 H ARG 30 H ARG 30 10.983 0.647 4.606
266 HA ARG 30 HA ARG 30 10.034 0.347 6.627
267 HB2 ARG 30 2HB ARG 30 12.205 -1.698 6.711
268 HB3 ARG 30 1HB ARG 30 11.233 -1.407 8.148
269 HG2 ARG 30 2HG ARG 30 10.155 -3.176 7.117
270 HG3 ARG 30 1HG ARG 30 9.216 -1.779 6.588
271 HD2 ARG 30 2HD ARG 30 9.574 -3.188 4.693
272 HD3 ARG 30 1HD ARG 30 10.578 -1.756 4.497
273 HE ARG 30 HE ARG 30 12.461 -3.152 5.297
274 HH11 ARG 30 1HH1 ARG 30 9.627 -4.734 3.976
275 HH12 ARG 30 2HH1 ARG 30 10.500 -6.141 3.468
276 HH21 ARG 30 1HH2 ARG 30 13.600 -5.013 4.645
277 HH22 ARG 30 2HH2 ARG 30 12.755 -6.301 3.845