Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
601533 | 2n7f RC | 25804 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 -10.046 11.227 0.196
2 HA ARG 1 HA ARG 1 -11.247 10.756 -2.208
3 HB2 ARG 1 2HB ARG 1 -8.257 10.403 -2.269
4 HB3 ARG 1 1HB ARG 1 -9.350 9.515 -3.320
5 HG2 ARG 1 2HG ARG 1 -9.013 12.508 -3.225
6 HG3 ARG 1 1HG ARG 1 -8.418 11.421 -4.485
7 HD2 ARG 1 2HD ARG 1 -11.312 11.975 -3.785
8 HD3 ARG 1 1HD ARG 1 -10.457 12.463 -5.235
9 HE ARG 1 HE ARG 1 -10.281 10.140 -5.853
10 HH11 ARG 1 1HH1 ARG 1 -12.748 10.899 -3.383
11 HH12 ARG 1 2HH1 ARG 1 -13.617 9.458 -3.658
12 HH21 ARG 1 1HH2 ARG 1 -11.596 8.233 -6.244
13 HH22 ARG 1 2HH2 ARG 1 -13.002 7.965 -5.336
14 H ASP 2 H ASP 2 -11.156 8.474 -2.808
15 HA ASP 2 HA ASP 2 -11.732 7.111 -0.342
16 HB2 ASP 2 2HB ASP 2 -12.330 6.369 -3.217
17 HB3 ASP 2 1HB ASP 2 -12.745 5.385 -1.818
18 H CYS 3 H CYS 3 -9.545 7.042 0.192
19 HA CYS 3 HA CYS 3 -8.207 4.624 -0.314
20 HB2 CYS 3 2HB CYS 3 -6.160 5.759 -1.288
21 HB3 CYS 3 1HB CYS 3 -7.516 5.606 -2.403
22 H GLN 4 H GLN 4 -5.859 5.054 0.664
23 HA GLN 4 HA GLN 4 -6.342 6.549 3.195
24 HB2 GLN 4 2HB GLN 4 -5.218 4.823 4.358
25 HB3 GLN 4 1HB GLN 4 -6.317 4.010 3.258
26 HG2 GLN 4 2HG GLN 4 -4.538 3.611 1.692
27 HG3 GLN 4 1HG GLN 4 -3.364 4.350 2.795
28 HE21 GLN 4 1HE2 GLN 4 -5.327 1.789 2.043
29 HE22 GLN 4 2HE2 GLN 4 -4.783 0.655 3.256
30 H GLU 5 H GLU 5 -4.474 7.259 4.204
31 HA GLU 5 HA GLU 5 -2.763 8.651 2.489
32 HB2 GLU 5 2HB GLU 5 -2.788 8.151 5.429
33 HB3 GLU 5 1HB GLU 5 -1.557 9.148 4.643
34 HG2 GLU 5 2HG GLU 5 -4.371 9.482 4.153
35 HG3 GLU 5 1HG GLU 5 -3.721 10.298 5.583
36 H LYS 6 H LYS 6 -0.423 8.569 3.063
37 HA LYS 6 HA LYS 6 0.342 6.088 1.910
38 HB2 LYS 6 2HB LYS 6 2.519 6.993 1.478
39 HB3 LYS 6 1HB LYS 6 1.299 8.195 1.130
40 HG2 LYS 6 2HG LYS 6 1.836 9.060 3.461
41 HG3 LYS 6 1HG LYS 6 3.335 8.155 3.290
42 HD2 LYS 6 2HD LYS 6 3.645 9.348 1.042
43 HD3 LYS 6 1HD LYS 6 2.233 10.314 1.578
44 HE2 LYS 6 2HE LYS 6 3.493 11.105 3.431
45 HE3 LYS 6 1HE LYS 6 4.888 10.165 2.883
46 HZ1 LYS 6 3HZ LYS 6 4.945 11.485 0.862
47 HZ2 LYS 6 1HZ LYS 6 5.016 12.499 2.206
48 HZ3 LYS 6 2HZ LYS 6 3.580 12.339 1.345
49 H TRP 7 H TRP 7 1.068 7.579 4.976
50 HA TRP 7 HA TRP 7 2.784 5.411 5.773
51 HB2 TRP 7 2HB TRP 7 1.777 7.807 7.289
52 HB3 TRP 7 1HB TRP 7 3.023 6.698 7.845
53 HD1 TRP 7 HD TRP 7 2.558 9.845 5.828
54 HE1 TRP 7 1HE TRP 7 4.756 10.553 4.850
55 HE3 TRP 7 3HE TRP 7 5.266 5.564 6.634
56 HZ2 TRP 7 2HZ TRP 7 7.310 9.519 4.419
57 HZ3 TRP 7 3HZ TRP 7 7.607 5.536 5.834
58 HH2 TRP 7 HH TRP 7 8.580 7.480 4.754
59 H GLU 8 H GLU 8 -0.156 4.863 5.323
60 HA GLU 8 HA GLU 8 -1.111 4.519 8.055
61 HB2 GLU 8 2HB GLU 8 -2.548 3.731 5.527
62 HB3 GLU 8 1HB GLU 8 -3.228 3.747 7.145
63 HG2 GLU 8 2HG GLU 8 -2.309 6.088 5.529
64 HG3 GLU 8 1HG GLU 8 -3.966 5.562 5.861
65 H TYR 9 H TYR 9 -2.188 2.061 5.937
66 HA TYR 9 HA TYR 9 -0.641 0.132 7.499
67 HB2 TYR 9 2HB TYR 9 -3.280 -0.182 6.071
68 HB3 TYR 9 1HB TYR 9 -2.398 -1.501 6.827
69 HD1 TYR 9 2HD TYR 9 -2.234 -1.643 9.259
70 HD2 TYR 9 1HD TYR 9 -4.485 1.430 7.374
71 HE1 TYR 9 2HE TYR 9 -3.341 -1.165 11.377
72 HE2 TYR 9 1HE TYR 9 -5.595 1.915 9.488
73 HH TYR 9 HH TYR 9 -6.115 0.734 11.577
74 H CYS 10 H CYS 10 -2.136 0.535 4.334
75 HA CYS 10 HA CYS 10 -1.696 -0.291 2.304
76 HB2 CYS 10 2HB CYS 10 0.412 1.070 2.513
77 HB3 CYS 10 1HB CYS 10 1.206 -0.347 3.187
78 H ILE 11 H ILE 11 -2.727 -2.209 2.357
79 HA ILE 11 HA ILE 11 -1.274 -4.485 3.449
80 HB ILE 11 HB ILE 11 -3.422 -5.723 3.274
81 HG12 ILE 11 2HG1 ILE 11 -4.592 -3.021 2.539
82 HG13 ILE 11 1HG1 ILE 11 -4.430 -4.388 1.446
83 HG21 ILE 11 1HG2 ILE 11 -2.786 -4.706 5.377
84 HG22 ILE 11 2HG2 ILE 11 -4.532 -4.586 5.161
85 HG23 ILE 11 3HG2 ILE 11 -3.512 -3.175 4.885
86 HD11 ILE 11 3HD1 ILE 11 -5.985 -5.671 2.818
87 HD12 ILE 11 1HD1 ILE 11 -6.710 -4.157 2.276
88 HD13 ILE 11 2HD1 ILE 11 -6.125 -4.312 3.933
89 H VAL 12 H VAL 12 -1.402 -6.519 2.252
90 HA VAL 12 HA VAL 12 -0.383 -6.241 -0.320
91 HB VAL 12 HB VAL 12 -0.621 -8.731 -0.531
92 HG11 VAL 12 1HG1 VAL 12 0.927 -9.267 1.314
93 HG12 VAL 12 2HG1 VAL 12 0.598 -7.677 2.008
94 HG13 VAL 12 3HG1 VAL 12 1.370 -7.809 0.431
95 HG21 VAL 12 3HG2 VAL 12 -1.875 -8.485 2.201
96 HG22 VAL 12 1HG2 VAL 12 -1.382 -10.001 1.445
97 HG23 VAL 12 2HG2 VAL 12 -2.677 -9.038 0.734
98 HA PRO 13 HA PRO 13 -3.871 -6.017 -2.988
99 HB2 PRO 13 2HB PRO 13 -2.485 -7.773 -4.908
100 HB3 PRO 13 1HB PRO 13 -2.995 -6.092 -5.093
101 HG2 PRO 13 2HG PRO 13 -0.411 -6.745 -4.833
102 HG3 PRO 13 1HG PRO 13 -1.074 -5.261 -4.123
103 HD2 PRO 13 2HD PRO 13 -0.430 -7.867 -2.803
104 HD3 PRO 13 1HD PRO 13 -0.136 -6.206 -2.243
105 H ILE 14 H ILE 14 -5.499 -7.108 -2.170
106 HA ILE 14 HA ILE 14 -5.871 -9.888 -3.005
107 HB ILE 14 HB ILE 14 -7.315 -10.218 -0.977
108 HG12 ILE 14 2HG1 ILE 14 -6.081 -7.628 -0.015
109 HG13 ILE 14 1HG1 ILE 14 -7.759 -7.816 -0.531
110 HG21 ILE 14 1HG2 ILE 14 -4.438 -9.555 -0.401
111 HG22 ILE 14 2HG2 ILE 14 -5.069 -11.103 -0.964
112 HG23 ILE 14 3HG2 ILE 14 -5.487 -10.511 0.645
113 HD11 ILE 14 3HD1 ILE 14 -7.542 -7.785 1.889
114 HD12 ILE 14 1HD1 ILE 14 -6.456 -9.172 1.817
115 HD13 ILE 14 2HD1 ILE 14 -8.141 -9.344 1.324
116 H LEU 15 H LEU 15 -8.549 -10.182 -2.555
117 HA LEU 15 HA LEU 15 -9.587 -8.470 -4.580
118 HB2 LEU 15 2HB LEU 15 -10.257 -10.829 -4.377
119 HB3 LEU 15 1HB LEU 15 -10.964 -10.492 -2.814
120 HG LEU 15 HG LEU 15 -12.622 -9.011 -3.908
121 HD11 LEU 15 1HD1 LEU 15 -11.379 -8.365 -5.877
122 HD12 LEU 15 2HD1 LEU 15 -12.898 -9.130 -6.342
123 HD13 LEU 15 3HD1 LEU 15 -11.386 -10.029 -6.458
124 HD21 LEU 15 3HD2 LEU 15 -12.508 -11.830 -4.973
125 HD22 LEU 15 1HD2 LEU 15 -13.945 -10.810 -4.913
126 HD23 LEU 15 2HD2 LEU 15 -13.171 -11.332 -3.417
127 H GLY 16 H GLY 16 -10.347 -6.510 -4.241
128 HA2 GLY 16 2HA GLY 16 -11.511 -4.758 -3.310
129 HA3 GLY 16 1HA GLY 16 -12.231 -5.913 -2.204
130 H PHE 17 H PHE 17 -8.776 -5.231 -2.505
131 HA PHE 17 HA PHE 17 -8.663 -4.800 0.339
132 HB2 PHE 17 2HB PHE 17 -6.260 -4.642 0.125
133 HB3 PHE 17 1HB PHE 17 -6.808 -5.940 -0.913
134 HD1 PHE 17 2HD PHE 17 -6.917 -5.498 -3.428
135 HD2 PHE 17 1HD PHE 17 -4.966 -2.875 -0.696
136 HE1 PHE 17 2HE PHE 17 -5.639 -4.513 -5.277
137 HE2 PHE 17 1HE PHE 17 -3.686 -1.902 -2.540
138 HZ PHE 17 HZ PHE 17 -4.018 -2.715 -4.837
139 H VAL 18 H VAL 18 -7.331 -2.802 1.155
140 HA VAL 18 HA VAL 18 -8.553 -0.466 -0.112
141 HB VAL 18 HB VAL 18 -7.356 -0.759 2.677
142 HG11 VAL 18 1HG1 VAL 18 -8.379 1.415 3.155
143 HG12 VAL 18 2HG1 VAL 18 -8.956 1.511 1.494
144 HG13 VAL 18 3HG1 VAL 18 -7.224 1.536 1.826
145 HG21 VAL 18 3HG2 VAL 18 -9.413 -2.058 2.454
146 HG22 VAL 18 1HG2 VAL 18 -10.257 -0.632 1.857
147 HG23 VAL 18 2HG2 VAL 18 -9.658 -0.672 3.517
148 H TYR 19 H TYR 19 -7.224 0.992 -1.018
149 HA TYR 19 HA TYR 19 -4.380 0.304 -0.953
150 HB2 TYR 19 2HB TYR 19 -4.224 1.252 -3.216
151 HB3 TYR 19 1HB TYR 19 -5.353 -0.090 -3.147
152 HD1 TYR 19 1HD TYR 19 -7.846 0.455 -3.175
153 HD2 TYR 19 2HD TYR 19 -4.871 3.374 -4.035
154 HE1 TYR 19 1HE TYR 19 -9.527 1.829 -4.297
155 HE2 TYR 19 2HE TYR 19 -6.550 4.762 -5.157
156 HH TYR 19 HH TYR 19 -8.792 4.328 -6.330
157 H CYS 20 H CYS 20 -2.903 2.121 -1.370
158 HA CYS 20 HA CYS 20 -3.824 4.390 0.157
159 HB2 CYS 20 2HB CYS 20 -1.460 5.138 0.093
160 HB3 CYS 20 1HB CYS 20 -1.639 3.537 0.790
161 H CYS 21 H CYS 21 -3.812 6.371 -0.542
162 HA CYS 21 HA CYS 21 -4.956 6.979 -2.937
163 HB2 CYS 21 2HB CYS 21 -3.275 8.721 -1.162
164 HB3 CYS 21 1HB CYS 21 -4.270 9.329 -2.496
165 HA PRO 22 HA PRO 22 -2.184 6.970 -6.300
166 HB2 PRO 22 2HB PRO 22 -2.939 9.261 -7.639
167 HB3 PRO 22 1HB PRO 22 -3.816 7.727 -7.704
168 HG2 PRO 22 2HG PRO 22 -4.367 10.147 -6.042
169 HG3 PRO 22 1HG PRO 22 -5.506 9.097 -6.906
170 HD2 PRO 22 2HD PRO 22 -5.111 8.902 -4.251
171 HD3 PRO 22 1HD PRO 22 -5.444 7.471 -5.243
172 H GLY 23 H GLY 23 -0.219 7.731 -6.912
173 HA2 GLY 23 2HA GLY 23 1.521 9.294 -7.097
174 HA3 GLY 23 1HA GLY 23 0.698 10.324 -5.926
175 H LEU 24 H LEU 24 0.707 7.131 -4.940
176 HA LEU 24 HA LEU 24 3.068 7.600 -3.253
177 HB2 LEU 24 2HB LEU 24 0.698 5.966 -2.355
178 HB3 LEU 24 1HB LEU 24 2.024 6.593 -1.459
179 HG LEU 24 HG LEU 24 -0.014 8.432 -2.663
180 HD11 LEU 24 1HD1 LEU 24 0.122 7.114 -0.007
181 HD12 LEU 24 2HD1 LEU 24 -1.206 7.092 -1.184
182 HD13 LEU 24 3HD1 LEU 24 -0.831 8.576 -0.296
183 HD21 LEU 24 3HD2 LEU 24 0.912 10.008 -0.982
184 HD22 LEU 24 1HD2 LEU 24 2.095 9.486 -2.177
185 HD23 LEU 24 2HD2 LEU 24 2.131 8.809 -0.558
186 H ILE 25 H ILE 25 4.186 5.721 -2.683
187 HA ILE 25 HA ILE 25 3.490 3.321 -4.176
188 HB ILE 25 HB ILE 25 5.934 2.863 -4.440
189 HG12 ILE 25 2HG1 ILE 25 6.705 4.604 -2.736
190 HG13 ILE 25 1HG1 ILE 25 7.616 4.529 -4.225
191 HG21 ILE 25 1HG2 ILE 25 4.868 5.225 -5.949
192 HG22 ILE 25 2HG2 ILE 25 4.656 3.518 -6.341
193 HG23 ILE 25 3HG2 ILE 25 6.257 4.252 -6.432
194 HD11 ILE 25 3HD1 ILE 25 5.551 6.609 -3.519
195 HD12 ILE 25 1HD1 ILE 25 6.473 6.544 -5.022
196 HD13 ILE 25 2HD1 ILE 25 7.301 6.822 -3.489
197 H CYS 26 H CYS 26 3.675 1.465 -3.036
198 HA CYS 26 HA CYS 26 4.278 1.728 -0.197
199 HB2 CYS 26 2HB CYS 26 2.296 0.440 -1.325
200 HB3 CYS 26 1HB CYS 26 3.496 -0.831 -1.574
201 H GLY 27 H GLY 27 6.211 1.428 0.512
202 HA2 GLY 27 2HA GLY 27 8.031 -0.311 -1.035
203 HA3 GLY 27 1HA GLY 27 8.467 1.354 -0.662
204 HA PRO 28 HA PRO 28 10.413 0.473 3.126
205 HB2 PRO 28 2HB PRO 28 8.890 1.919 4.967
206 HB3 PRO 28 1HB PRO 28 10.260 2.538 4.045
207 HG2 PRO 28 2HG PRO 28 7.335 2.788 3.512
208 HG3 PRO 28 1HG PRO 28 8.627 3.974 3.250
209 HD2 PRO 28 2HD PRO 28 7.580 2.634 1.210
210 HD3 PRO 28 1HD PRO 28 9.326 2.950 1.279
211 H PHE 29 H PHE 29 6.912 0.279 3.346
212 HA PHE 29 HA PHE 29 6.592 -2.204 4.416
213 HB2 PHE 29 2HB PHE 29 7.838 -1.205 6.391
214 HB3 PHE 29 1HB PHE 29 6.522 -0.050 6.546
215 HD1 PHE 29 2HD PHE 29 6.865 -3.666 6.107
216 HD2 PHE 29 1HD PHE 29 5.101 -0.493 8.224
217 HE1 PHE 29 2HE PHE 29 5.674 -5.324 7.543
218 HE2 PHE 29 1HE PHE 29 3.887 -2.090 9.680
219 HZ PHE 29 HZ PHE 29 4.182 -4.516 9.333
220 H VAL 30 H VAL 30 5.836 1.121 4.227
221 HA VAL 30 HA VAL 30 3.016 0.585 3.757
222 HB VAL 30 HB VAL 30 2.565 2.862 4.794
223 HG11 VAL 30 1HG1 VAL 30 3.800 0.831 6.646
224 HG12 VAL 30 2HG1 VAL 30 2.132 0.834 6.074
225 HG13 VAL 30 3HG1 VAL 30 2.707 2.132 7.119
226 HG21 VAL 30 3HG2 VAL 30 4.253 3.790 6.307
227 HG22 VAL 30 1HG2 VAL 30 4.803 3.795 4.629
228 HG23 VAL 30 2HG2 VAL 30 5.408 2.578 5.753
229 H CYS 31 H CYS 31 2.288 3.012 2.898
230 HA CYS 31 HA CYS 31 3.764 3.360 0.433
231 HB2 CYS 31 2HB CYS 31 1.199 4.437 1.540
232 HB3 CYS 31 1HB CYS 31 1.842 4.915 -0.048
233 H VAL 32 H VAL 32 4.167 5.531 -0.266
234 HA VAL 32 HA VAL 32 4.679 7.541 1.599
235 HB VAL 32 HB VAL 32 6.542 6.050 2.221
236 HG11 VAL 32 1HG1 VAL 32 8.364 5.558 0.642
237 HG12 VAL 32 2HG1 VAL 32 7.419 6.290 -0.656
238 HG13 VAL 32 3HG1 VAL 32 6.834 4.833 0.143
239 HG21 VAL 32 3HG2 VAL 32 7.423 8.526 0.737
240 HG22 VAL 32 1HG2 VAL 32 8.396 7.632 1.914
241 HG23 VAL 32 2HG2 VAL 32 6.905 8.408 2.423
Start of MODEL 2
1 H1 ARG 1 H ARG 1 -10.348 10.192 -3.594
2 HA ARG 1 HA ARG 1 -11.823 8.420 -5.201
3 HB2 ARG 1 2HB ARG 1 -9.485 8.486 -6.335
4 HB3 ARG 1 1HB ARG 1 -8.891 7.755 -4.854
5 HG2 ARG 1 2HG ARG 1 -10.600 5.909 -5.259
6 HG3 ARG 1 1HG ARG 1 -10.785 6.585 -6.875
7 HD2 ARG 1 2HD ARG 1 -9.178 4.911 -7.174
8 HD3 ARG 1 1HD ARG 1 -8.221 6.383 -7.011
9 HE ARG 1 HE ARG 1 -8.728 4.809 -4.622
10 HH11 ARG 1 1HH1 ARG 1 -6.378 5.730 -7.132
11 HH12 ARG 1 2HH1 ARG 1 -5.018 5.109 -6.331
12 HH21 ARG 1 1HH2 ARG 1 -6.819 3.900 -3.510
13 HH22 ARG 1 2HH2 ARG 1 -5.266 4.081 -4.203
14 H ASP 2 H ASP 2 -12.079 6.437 -3.915
15 HA ASP 2 HA ASP 2 -11.626 6.733 -1.148
16 HB2 ASP 2 2HB ASP 2 -13.471 5.345 -1.993
17 HB3 ASP 2 1HB ASP 2 -12.315 4.269 -2.771
18 H CYS 3 H CYS 3 -9.724 6.706 -0.383
19 HA CYS 3 HA CYS 3 -7.894 4.575 -0.889
20 HB2 CYS 3 2HB CYS 3 -6.074 6.034 -1.630
21 HB3 CYS 3 1HB CYS 3 -7.382 5.967 -2.802
22 H GLN 4 H GLN 4 -5.850 5.043 0.376
23 HA GLN 4 HA GLN 4 -6.616 6.451 2.836
24 HB2 GLN 4 2HB GLN 4 -5.569 4.750 4.107
25 HB3 GLN 4 1HB GLN 4 -6.623 3.968 2.928
26 HG2 GLN 4 2HG GLN 4 -4.794 3.381 1.552
27 HG3 GLN 4 1HG GLN 4 -3.663 4.269 2.581
28 HE21 GLN 4 1HE2 GLN 4 -3.594 1.578 1.828
29 HE22 GLN 4 2HE2 GLN 4 -3.714 0.601 3.242
30 H GLU 5 H GLU 5 -4.788 6.994 4.110
31 HA GLU 5 HA GLU 5 -3.057 8.653 2.709
32 HB2 GLU 5 2HB GLU 5 -3.242 7.752 5.527
33 HB3 GLU 5 1HB GLU 5 -2.015 8.919 5.015
34 HG2 GLU 5 2HG GLU 5 -4.803 9.139 4.338
35 HG3 GLU 5 1HG GLU 5 -4.307 9.808 5.920
36 H LYS 6 H LYS 6 -0.782 8.683 3.165
37 HA LYS 6 HA LYS 6 0.221 6.295 1.948
38 HB2 LYS 6 2HB LYS 6 2.092 7.448 1.203
39 HB3 LYS 6 1HB LYS 6 0.861 8.681 1.283
40 HG2 LYS 6 2HG LYS 6 1.956 9.164 3.593
41 HG3 LYS 6 1HG LYS 6 3.327 8.352 2.911
42 HD2 LYS 6 2HD LYS 6 2.938 9.932 0.808
43 HD3 LYS 6 1HD LYS 6 1.972 10.832 2.000
44 HE2 LYS 6 2HE LYS 6 3.820 11.141 3.364
45 HE3 LYS 6 1HE LYS 6 4.867 10.195 2.299
46 HZ1 LYS 6 3HZ LYS 6 5.176 12.536 1.902
47 HZ2 LYS 6 1HZ LYS 6 3.540 12.786 1.667
48 HZ3 LYS 6 2HZ LYS 6 4.437 11.893 0.555
49 H TRP 7 H TRP 7 0.906 7.920 4.970
50 HA TRP 7 HA TRP 7 2.860 5.950 5.719
51 HB2 TRP 7 2HB TRP 7 1.598 8.175 7.299
52 HB3 TRP 7 1HB TRP 7 2.935 7.181 7.863
53 HD1 TRP 7 HD TRP 7 2.213 10.288 5.967
54 HE1 TRP 7 1HE TRP 7 4.355 11.229 4.959
55 HE3 TRP 7 3HE TRP 7 5.274 6.265 6.630
56 HZ2 TRP 7 2HZ TRP 7 7.001 10.411 4.490
57 HZ3 TRP 7 3HZ TRP 7 7.605 6.432 5.834
58 HH2 TRP 7 HH TRP 7 8.437 8.460 4.799
59 H GLU 8 H GLU 8 0.044 5.112 5.289
60 HA GLU 8 HA GLU 8 -0.862 4.188 7.882
61 HB2 GLU 8 2HB GLU 8 -1.922 3.768 5.096
62 HB3 GLU 8 1HB GLU 8 -2.665 3.105 6.541
63 HG2 GLU 8 2HG GLU 8 -2.267 6.014 5.939
64 HG3 GLU 8 1HG GLU 8 -3.778 5.107 5.792
65 H TYR 9 H TYR 9 -1.692 1.729 7.628
66 HA TYR 9 HA TYR 9 0.709 0.260 7.835
67 HB2 TYR 9 2HB TYR 9 -2.124 -0.806 7.766
68 HB3 TYR 9 1HB TYR 9 -0.702 -1.704 8.276
69 HD1 TYR 9 1HD TYR 9 0.665 -0.638 10.236
70 HD2 TYR 9 2HD TYR 9 -3.384 0.307 9.371
71 HE1 TYR 9 1HE TYR 9 0.365 0.177 12.529
72 HE2 TYR 9 2HE TYR 9 -3.690 1.129 11.654
73 HH TYR 9 HH TYR 9 -2.675 0.845 13.861
74 H CYS 10 H CYS 10 -1.530 0.659 5.242
75 HA CYS 10 HA CYS 10 -1.318 0.352 3.019
76 HB2 CYS 10 2HB CYS 10 1.046 0.978 3.241
77 HB3 CYS 10 1HB CYS 10 1.481 -0.681 3.626
78 H ILE 11 H ILE 11 -1.688 -2.013 5.112
79 HA ILE 11 HA ILE 11 -1.486 -4.138 3.153
80 HB ILE 11 HB ILE 11 -2.028 -5.669 5.168
81 HG12 ILE 11 2HG1 ILE 11 -1.074 -4.777 7.339
82 HG13 ILE 11 1HG1 ILE 11 -1.075 -3.179 6.621
83 HG21 ILE 11 1HG2 ILE 11 0.063 -5.670 3.979
84 HG22 ILE 11 2HG2 ILE 11 0.334 -5.845 5.709
85 HG23 ILE 11 3HG2 ILE 11 0.628 -4.292 4.926
86 HD11 ILE 11 3HD1 ILE 11 -2.964 -3.464 8.102
87 HD12 ILE 11 1HD1 ILE 11 -3.494 -4.882 7.195
88 HD13 ILE 11 2HD1 ILE 11 -3.523 -3.290 6.439
89 H VAL 12 H VAL 12 -3.067 -5.610 2.705
90 HA VAL 12 HA VAL 12 -5.783 -4.887 3.500
91 HB VAL 12 HB VAL 12 -4.957 -5.775 0.703
92 HG11 VAL 12 1HG1 VAL 12 -7.683 -4.962 1.721
93 HG12 VAL 12 2HG1 VAL 12 -7.157 -6.594 1.328
94 HG13 VAL 12 3HG1 VAL 12 -7.273 -5.380 0.059
95 HG21 VAL 12 3HG2 VAL 12 -4.297 -3.451 1.086
96 HG22 VAL 12 1HG2 VAL 12 -5.938 -3.059 1.601
97 HG23 VAL 12 2HG2 VAL 12 -5.627 -3.538 -0.069
98 HA PRO 13 HA PRO 13 -5.062 -9.372 4.161
99 HB2 PRO 13 2HB PRO 13 -5.592 -9.506 6.752
100 HB3 PRO 13 1HB PRO 13 -4.048 -8.873 6.182
101 HG2 PRO 13 2HG PRO 13 -6.410 -7.396 7.256
102 HG3 PRO 13 1HG PRO 13 -4.689 -7.031 7.437
103 HD2 PRO 13 2HD PRO 13 -6.464 -5.851 5.594
104 HD3 PRO 13 1HD PRO 13 -4.695 -5.733 5.563
105 H ILE 14 H ILE 14 -7.651 -7.263 4.609
106 HA ILE 14 HA ILE 14 -9.640 -9.380 4.479
107 HB ILE 14 HB ILE 14 -9.729 -6.988 6.370
108 HG12 ILE 14 2HG1 ILE 14 -9.628 -9.943 7.033
109 HG13 ILE 14 1HG1 ILE 14 -8.291 -8.815 7.198
110 HG21 ILE 14 1HG2 ILE 14 -11.940 -7.463 5.440
111 HG22 ILE 14 2HG2 ILE 14 -11.879 -7.846 7.159
112 HG23 ILE 14 3HG2 ILE 14 -11.811 -9.143 5.969
113 HD11 ILE 14 3HD1 ILE 14 -9.349 -9.281 9.330
114 HD12 ILE 14 1HD1 ILE 14 -10.891 -8.700 8.702
115 HD13 ILE 14 2HD1 ILE 14 -9.537 -7.584 8.884
116 H LEU 15 H LEU 15 -11.305 -8.735 3.141
117 HA LEU 15 HA LEU 15 -10.820 -6.590 1.382
118 HB2 LEU 15 2HB LEU 15 -12.120 -8.664 0.831
119 HB3 LEU 15 1HB LEU 15 -13.407 -8.085 1.866
120 HG LEU 15 HG LEU 15 -13.704 -6.146 0.369
121 HD11 LEU 15 1HD1 LEU 15 -11.678 -7.552 -1.366
122 HD12 LEU 15 2HD1 LEU 15 -11.466 -5.995 -0.563
123 HD13 LEU 15 3HD1 LEU 15 -12.657 -6.168 -1.847
124 HD21 LEU 15 3HD2 LEU 15 -13.882 -8.840 -0.974
125 HD22 LEU 15 1HD2 LEU 15 -14.747 -7.387 -1.470
126 HD23 LEU 15 2HD2 LEU 15 -15.090 -8.125 0.093
127 H GLY 16 H GLY 16 -11.590 -4.525 1.418
128 HA2 GLY 16 2HA GLY 16 -13.297 -2.967 2.267
129 HA3 GLY 16 1HA GLY 16 -13.072 -3.734 3.838
130 H PHE 17 H PHE 17 -10.139 -3.899 2.785
131 HA PHE 17 HA PHE 17 -9.350 -1.228 3.663
132 HB2 PHE 17 2HB PHE 17 -7.777 -3.804 3.290
133 HB3 PHE 17 1HB PHE 17 -7.001 -2.258 3.605
134 HD1 PHE 17 2HD PHE 17 -9.348 -4.769 5.018
135 HD2 PHE 17 1HD PHE 17 -6.798 -1.449 5.791
136 HE1 PHE 17 2HE PHE 17 -9.594 -5.139 7.442
137 HE2 PHE 17 1HE PHE 17 -7.040 -1.819 8.203
138 HZ PHE 17 HZ PHE 17 -8.442 -3.666 9.030
139 H VAL 18 H VAL 18 -7.980 0.029 2.271
140 HA VAL 18 HA VAL 18 -8.350 -0.769 -0.529
141 HB VAL 18 HB VAL 18 -9.930 0.999 0.246
142 HG11 VAL 18 1HG1 VAL 18 -7.466 2.675 0.587
143 HG12 VAL 18 2HG1 VAL 18 -8.556 2.128 1.855
144 HG13 VAL 18 3HG1 VAL 18 -9.125 3.274 0.637
145 HG21 VAL 18 3HG2 VAL 18 -7.968 1.882 -1.872
146 HG22 VAL 18 1HG2 VAL 18 -9.581 2.554 -1.639
147 HG23 VAL 18 2HG2 VAL 18 -9.389 0.869 -2.118
148 H TYR 19 H TYR 19 -6.842 0.116 -2.000
149 HA TYR 19 HA TYR 19 -4.140 0.202 -1.213
150 HB2 TYR 19 2HB TYR 19 -5.483 1.216 -3.735
151 HB3 TYR 19 1HB TYR 19 -3.755 0.979 -3.542
152 HD1 TYR 19 1HD TYR 19 -2.828 -1.295 -3.433
153 HD2 TYR 19 2HD TYR 19 -6.969 -0.643 -4.133
154 HE1 TYR 19 1HE TYR 19 -3.050 -3.590 -4.232
155 HE2 TYR 19 2HE TYR 19 -7.205 -2.941 -4.918
156 HH TYR 19 HH TYR 19 -4.961 -5.305 -4.401
157 H CYS 20 H CYS 20 -2.741 2.043 -1.139
158 HA CYS 20 HA CYS 20 -3.938 4.307 0.019
159 HB2 CYS 20 2HB CYS 20 -1.621 5.285 0.044
160 HB3 CYS 20 1HB CYS 20 -1.743 3.714 0.809
161 H CYS 21 H CYS 21 -3.702 6.439 -0.622
162 HA CYS 21 HA CYS 21 -4.960 7.043 -3.015
163 HB2 CYS 21 2HB CYS 21 -3.262 8.802 -1.264
164 HB3 CYS 21 1HB CYS 21 -4.269 9.408 -2.590
165 HA PRO 22 HA PRO 22 -2.204 6.942 -6.354
166 HB2 PRO 22 2HB PRO 22 -2.968 9.160 -7.801
167 HB3 PRO 22 1HB PRO 22 -3.824 7.616 -7.803
168 HG2 PRO 22 2HG PRO 22 -4.448 10.113 -6.304
169 HG3 PRO 22 1HG PRO 22 -5.547 8.962 -7.077
170 HD2 PRO 22 2HD PRO 22 -5.121 9.004 -4.407
171 HD3 PRO 22 1HD PRO 22 -5.493 7.510 -5.280
172 H GLY 23 H GLY 23 -0.233 7.568 -6.843
173 HA2 GLY 23 2HA GLY 23 1.513 9.149 -7.151
174 HA3 GLY 23 1HA GLY 23 0.693 10.230 -6.028
175 H LEU 24 H LEU 24 0.466 7.286 -4.699
176 HA LEU 24 HA LEU 24 2.914 7.708 -3.128
177 HB2 LEU 24 2HB LEU 24 0.584 6.093 -2.135
178 HB3 LEU 24 1HB LEU 24 1.865 6.864 -1.292
179 HG LEU 24 HG LEU 24 -0.219 8.517 -2.673
180 HD11 LEU 24 1HD1 LEU 24 -1.376 7.219 -1.105
181 HD12 LEU 24 2HD1 LEU 24 -1.117 8.800 -0.329
182 HD13 LEU 24 3HD1 LEU 24 -0.090 7.404 0.069
183 HD21 LEU 24 3HD2 LEU 24 1.799 9.116 -0.515
184 HD22 LEU 24 1HD2 LEU 24 0.610 10.257 -1.133
185 HD23 LEU 24 2HD2 LEU 24 1.892 9.660 -2.189
186 H ILE 25 H ILE 25 4.011 5.903 -2.514
187 HA ILE 25 HA ILE 25 3.399 3.400 -3.927
188 HB ILE 25 HB ILE 25 5.843 3.033 -4.332
189 HG12 ILE 25 2HG1 ILE 25 6.114 5.972 -3.619
190 HG13 ILE 25 1HG1 ILE 25 6.704 4.635 -2.643
191 HG21 ILE 25 1HG2 ILE 25 4.425 3.763 -6.154
192 HG22 ILE 25 2HG2 ILE 25 6.023 4.491 -6.298
193 HG23 ILE 25 3HG2 ILE 25 4.669 5.449 -5.698
194 HD11 ILE 25 3HD1 ILE 25 8.250 4.021 -4.441
195 HD12 ILE 25 1HD1 ILE 25 8.501 5.678 -3.890
196 HD13 ILE 25 2HD1 ILE 25 7.652 5.371 -5.406
197 H CYS 26 H CYS 26 3.701 1.580 -2.743
198 HA CYS 26 HA CYS 26 4.309 1.948 0.069
199 HB2 CYS 26 2HB CYS 26 2.406 0.543 -0.974
200 HB3 CYS 26 1HB CYS 26 3.653 -0.661 -1.295
201 H GLY 27 H GLY 27 6.377 2.273 0.316
202 HA2 GLY 27 2HA GLY 27 8.365 0.961 -1.288
203 HA3 GLY 27 1HA GLY 27 8.680 2.071 0.032
204 HA PRO 28 HA PRO 28 9.724 -1.543 2.314
205 HB2 PRO 28 2HB PRO 28 9.293 -0.350 4.891
206 HB3 PRO 28 1HB PRO 28 10.819 -0.537 4.036
207 HG2 PRO 28 2HG PRO 28 9.599 1.904 4.526
208 HG3 PRO 28 1HG PRO 28 10.796 1.598 3.260
209 HD2 PRO 28 2HD PRO 28 7.820 1.767 3.050
210 HD3 PRO 28 1HD PRO 28 9.073 2.341 1.928
211 H PHE 29 H PHE 29 7.431 -0.138 4.604
212 HA PHE 29 HA PHE 29 5.680 -2.445 4.111
213 HB2 PHE 29 2HB PHE 29 6.239 -1.060 6.741
214 HB3 PHE 29 1HB PHE 29 5.059 -2.339 6.514
215 HD1 PHE 29 2HD PHE 29 8.653 -1.562 6.684
216 HD2 PHE 29 1HD PHE 29 5.741 -4.640 6.313
217 HE1 PHE 29 2HE PHE 29 10.383 -3.245 7.144
218 HE2 PHE 29 1HE PHE 29 7.466 -6.332 6.774
219 HZ PHE 29 HZ PHE 29 9.792 -5.636 7.189
220 H VAL 30 H VAL 30 5.996 0.958 4.293
221 HA VAL 30 HA VAL 30 3.076 1.263 4.269
222 HB VAL 30 HB VAL 30 3.344 3.476 5.256
223 HG11 VAL 30 1HG1 VAL 30 3.058 1.647 6.803
224 HG12 VAL 30 2HG1 VAL 30 4.119 2.871 7.503
225 HG13 VAL 30 3HG1 VAL 30 4.801 1.379 6.852
226 HG21 VAL 30 3HG2 VAL 30 5.503 4.104 4.352
227 HG22 VAL 30 1HG2 VAL 30 6.292 2.858 5.321
228 HG23 VAL 30 2HG2 VAL 30 5.534 4.237 6.113
229 H CYS 31 H CYS 31 2.451 3.365 3.169
230 HA CYS 31 HA CYS 31 3.831 3.636 0.609
231 HB2 CYS 31 2HB CYS 31 1.223 4.684 1.686
232 HB3 CYS 31 1HB CYS 31 1.844 5.108 0.087
233 H VAL 32 H VAL 32 4.296 5.680 -0.173
234 HA VAL 32 HA VAL 32 4.490 7.917 1.505
235 HB VAL 32 HB VAL 32 6.416 6.757 2.440
236 HG11 VAL 32 1HG1 VAL 32 8.359 6.101 1.059
237 HG12 VAL 32 2HG1 VAL 32 7.469 6.557 -0.394
238 HG13 VAL 32 3HG1 VAL 32 6.904 5.215 0.601
239 HG21 VAL 32 3HG2 VAL 32 6.651 9.150 2.203
240 HG22 VAL 32 1HG2 VAL 32 7.283 8.959 0.564
241 HG23 VAL 32 2HG2 VAL 32 8.205 8.370 1.951
Start of MODEL 3
1 H1 ARG 1 H ARG 1 -11.978 10.784 0.938
2 HA ARG 1 HA ARG 1 -11.740 10.482 -1.857
3 HB2 ARG 1 2HB ARG 1 -9.267 10.373 -0.136
4 HB3 ARG 1 1HB ARG 1 -9.374 9.834 -1.801
5 HG2 ARG 1 2HG ARG 1 -9.771 12.097 -2.547
6 HG3 ARG 1 1HG ARG 1 -9.781 12.666 -0.873
7 HD2 ARG 1 2HD ARG 1 -7.473 11.350 -2.281
8 HD3 ARG 1 1HD ARG 1 -7.609 13.078 -1.926
9 HE ARG 1 HE ARG 1 -7.954 11.574 0.399
10 HH11 ARG 1 1HH1 ARG 1 -5.331 12.365 -1.847
11 HH12 ARG 1 2HH1 ARG 1 -4.114 12.444 -0.665
12 HH21 ARG 1 1HH2 ARG 1 -6.278 11.635 2.052
13 HH22 ARG 1 2HH2 ARG 1 -4.666 11.982 1.631
14 H ASP 2 H ASP 2 -11.101 8.239 -2.250
15 HA ASP 2 HA ASP 2 -11.651 6.577 0.092
16 HB2 ASP 2 2HB ASP 2 -13.521 6.390 -1.533
17 HB3 ASP 2 1HB ASP 2 -12.377 5.792 -2.738
18 H CYS 3 H CYS 3 -9.578 6.570 0.558
19 HA CYS 3 HA CYS 3 -8.007 4.486 -0.360
20 HB2 CYS 3 2HB CYS 3 -6.151 5.845 -1.332
21 HB3 CYS 3 1HB CYS 3 -7.588 5.854 -2.347
22 H GLN 4 H GLN 4 -5.740 4.919 0.654
23 HA GLN 4 HA GLN 4 -6.204 6.374 3.160
24 HB2 GLN 4 2HB GLN 4 -5.083 4.612 4.324
25 HB3 GLN 4 1HB GLN 4 -6.210 3.906 3.172
26 HG2 GLN 4 2HG GLN 4 -4.553 3.371 1.649
27 HG3 GLN 4 1HG GLN 4 -3.299 4.141 2.625
28 HE21 GLN 4 1HE2 GLN 4 -3.585 1.421 1.718
29 HE22 GLN 4 2HE2 GLN 4 -3.570 0.455 3.179
30 H GLU 5 H GLU 5 -4.405 7.199 4.069
31 HA GLU 5 HA GLU 5 -2.857 8.677 2.234
32 HB2 GLU 5 2HB GLU 5 -2.627 8.320 5.184
33 HB3 GLU 5 1HB GLU 5 -1.772 9.579 4.265
34 HG2 GLU 5 2HG GLU 5 -4.057 10.374 3.569
35 HG3 GLU 5 1HG GLU 5 -4.702 9.220 4.727
36 H LYS 6 H LYS 6 -0.337 8.829 3.129
37 HA LYS 6 HA LYS 6 0.637 6.452 1.877
38 HB2 LYS 6 2HB LYS 6 2.845 7.574 1.835
39 HB3 LYS 6 1HB LYS 6 1.565 8.579 1.177
40 HG2 LYS 6 2HG LYS 6 1.408 9.428 3.546
41 HG3 LYS 6 1HG LYS 6 3.066 8.883 3.728
42 HD2 LYS 6 2HD LYS 6 2.092 10.806 1.596
43 HD3 LYS 6 1HD LYS 6 2.826 11.323 3.106
44 HE2 LYS 6 2HE LYS 6 4.904 10.153 2.435
45 HE3 LYS 6 1HE LYS 6 4.118 9.698 0.921
46 HZ1 LYS 6 3HZ LYS 6 3.891 12.005 0.335
47 HZ2 LYS 6 1HZ LYS 6 5.498 11.688 0.670
48 HZ3 LYS 6 2HZ LYS 6 4.546 12.516 1.790
49 H TRP 7 H TRP 7 1.178 7.855 5.087
50 HA TRP 7 HA TRP 7 2.877 5.622 5.808
51 HB2 TRP 7 2HB TRP 7 1.914 7.943 7.488
52 HB3 TRP 7 1HB TRP 7 3.164 6.792 7.949
53 HD1 TRP 7 HD TRP 7 2.705 10.062 6.295
54 HE1 TRP 7 1HE TRP 7 4.899 10.860 5.214
55 HE3 TRP 7 3HE TRP 7 5.379 5.724 6.537
56 HZ2 TRP 7 2HZ TRP 7 7.398 9.818 4.550
57 HZ3 TRP 7 3HZ TRP 7 7.673 5.718 5.640
58 HH2 TRP 7 HH TRP 7 8.646 7.736 4.662
59 H GLU 8 H GLU 8 0.111 5.078 5.206
60 HA GLU 8 HA GLU 8 -1.204 4.515 7.725
61 HB2 GLU 8 2HB GLU 8 -2.033 3.980 4.879
62 HB3 GLU 8 1HB GLU 8 -3.027 3.679 6.294
63 HG2 GLU 8 2HG GLU 8 -1.998 6.340 5.427
64 HG3 GLU 8 1HG GLU 8 -3.611 5.674 5.145
65 H TYR 9 H TYR 9 -2.480 2.133 6.546
66 HA TYR 9 HA TYR 9 -0.704 0.248 7.710
67 HB2 TYR 9 2HB TYR 9 -3.331 -0.251 6.313
68 HB3 TYR 9 1HB TYR 9 -2.555 -1.271 7.522
69 HD1 TYR 9 2HD TYR 9 -2.077 -0.043 9.839
70 HD2 TYR 9 1HD TYR 9 -5.012 1.202 7.016
71 HE1 TYR 9 2HE TYR 9 -3.227 1.203 11.590
72 HE2 TYR 9 1HE TYR 9 -6.155 2.467 8.758
73 HH TYR 9 HH TYR 9 -6.324 2.428 11.247
74 H CYS 10 H CYS 10 -1.632 1.220 4.526
75 HA CYS 10 HA CYS 10 -1.145 0.615 2.428
76 HB2 CYS 10 2HB CYS 10 1.176 1.008 3.004
77 HB3 CYS 10 1HB CYS 10 1.338 -0.618 3.672
78 H ILE 11 H ILE 11 -2.561 -0.665 1.561
79 HA ILE 11 HA ILE 11 -2.676 -3.452 2.449
80 HB ILE 11 HB ILE 11 -4.696 -1.805 0.881
81 HG12 ILE 11 2HG1 ILE 11 -4.807 -2.749 3.757
82 HG13 ILE 11 1HG1 ILE 11 -4.426 -1.108 3.260
83 HG21 ILE 11 1HG2 ILE 11 -4.844 -4.169 0.315
84 HG22 ILE 11 2HG2 ILE 11 -6.237 -3.693 1.292
85 HG23 ILE 11 3HG2 ILE 11 -4.907 -4.590 2.026
86 HD11 ILE 11 3HD1 ILE 11 -7.028 -2.547 2.795
87 HD12 ILE 11 1HD1 ILE 11 -6.662 -0.900 2.281
88 HD13 ILE 11 2HD1 ILE 11 -6.727 -1.293 3.999
89 H VAL 12 H VAL 12 -2.103 -5.023 1.034
90 HA VAL 12 HA VAL 12 -1.432 -4.210 -1.705
91 HB VAL 12 HB VAL 12 -0.541 -6.707 -0.235
92 HG11 VAL 12 1HG1 VAL 12 1.188 -6.845 -1.966
93 HG12 VAL 12 2HG1 VAL 12 0.491 -5.434 -2.760
94 HG13 VAL 12 3HG1 VAL 12 -0.441 -6.926 -2.638
95 HG21 VAL 12 3HG2 VAL 12 0.347 -4.770 0.941
96 HG22 VAL 12 1HG2 VAL 12 0.988 -4.121 -0.566
97 HG23 VAL 12 2HG2 VAL 12 1.640 -5.618 0.096
98 HA PRO 13 HA PRO 13 -5.168 -6.806 -2.306
99 HB2 PRO 13 2HB PRO 13 -5.577 -5.294 -4.747
100 HB3 PRO 13 1HB PRO 13 -6.583 -5.345 -3.300
101 HG2 PRO 13 2HG PRO 13 -5.166 -3.146 -4.050
102 HG3 PRO 13 1HG PRO 13 -5.552 -3.525 -2.363
103 HD2 PRO 13 2HD PRO 13 -3.003 -3.967 -3.867
104 HD3 PRO 13 1HD PRO 13 -3.257 -3.382 -2.207
105 H ILE 14 H ILE 14 -2.605 -5.994 -4.559
106 HA ILE 14 HA ILE 14 -2.793 -8.630 -5.807
107 HB ILE 14 HB ILE 14 -2.492 -6.030 -7.386
108 HG12 ILE 14 2HG1 ILE 14 -4.822 -7.965 -7.438
109 HG13 ILE 14 1HG1 ILE 14 -4.837 -6.391 -6.655
110 HG21 ILE 14 1HG2 ILE 14 -2.628 -8.871 -8.376
111 HG22 ILE 14 2HG2 ILE 14 -1.199 -7.840 -8.346
112 HG23 ILE 14 3HG2 ILE 14 -2.561 -7.429 -9.388
113 HD11 ILE 14 3HD1 ILE 14 -4.478 -6.888 -9.601
114 HD12 ILE 14 1HD1 ILE 14 -4.515 -5.309 -8.814
115 HD13 ILE 14 2HD1 ILE 14 -5.953 -6.333 -8.809
116 H LEU 15 H LEU 15 -0.674 -9.362 -6.246
117 HA LEU 15 HA LEU 15 1.421 -8.084 -4.913
118 HB2 LEU 15 2HB LEU 15 2.962 -9.665 -5.949
119 HB3 LEU 15 1HB LEU 15 1.528 -10.491 -5.401
120 HG LEU 15 HG LEU 15 2.077 -9.785 -8.299
121 HD11 LEU 15 1HD1 LEU 15 2.482 -12.389 -6.840
122 HD12 LEU 15 2HD1 LEU 15 3.750 -11.339 -7.472
123 HD13 LEU 15 3HD1 LEU 15 2.642 -12.148 -8.579
124 HD21 LEU 15 3HD2 LEU 15 0.052 -11.651 -7.043
125 HD22 LEU 15 1HD2 LEU 15 0.340 -11.467 -8.774
126 HD23 LEU 15 2HD2 LEU 15 -0.297 -10.117 -7.844
127 H GLY 16 H GLY 16 2.541 -6.366 -5.364
128 HA2 GLY 16 2HA GLY 16 3.900 -5.016 -6.712
129 HA3 GLY 16 1HA GLY 16 3.084 -5.648 -8.134
130 H PHE 17 H PHE 17 0.605 -5.054 -6.137
131 HA PHE 17 HA PHE 17 0.424 -2.226 -6.865
132 HB2 PHE 17 2HB PHE 17 -1.012 -3.496 -8.415
133 HB3 PHE 17 1HB PHE 17 -1.772 -4.297 -7.043
134 HD1 PHE 17 1HD PHE 17 -1.263 -0.941 -8.551
135 HD2 PHE 17 2HD PHE 17 -3.698 -3.408 -6.084
136 HE1 PHE 17 1HE PHE 17 -2.946 0.843 -8.432
137 HE2 PHE 17 2HE PHE 17 -5.388 -1.626 -5.964
138 HZ PHE 17 HZ PHE 17 -5.011 0.506 -7.136
139 H VAL 18 H VAL 18 -0.247 -0.930 -5.262
140 HA VAL 18 HA VAL 18 -1.182 -2.243 -2.838
141 HB VAL 18 HB VAL 18 -0.007 -0.523 -1.514
142 HG11 VAL 18 1HG1 VAL 18 2.245 -1.420 -1.797
143 HG12 VAL 18 2HG1 VAL 18 1.812 -2.021 -3.395
144 HG13 VAL 18 3HG1 VAL 18 1.040 -2.697 -1.965
145 HG21 VAL 18 3HG2 VAL 18 0.076 1.263 -3.191
146 HG22 VAL 18 1HG2 VAL 18 1.177 0.303 -4.172
147 HG23 VAL 18 2HG2 VAL 18 1.703 0.916 -2.608
148 H TYR 19 H TYR 19 -2.692 -1.121 -1.650
149 HA TYR 19 HA TYR 19 -4.034 0.902 -3.256
150 HB2 TYR 19 2HB TYR 19 -5.286 -1.224 -2.671
151 HB3 TYR 19 1HB TYR 19 -5.275 -0.669 -1.001
152 HD1 TYR 19 1HD TYR 19 -6.346 0.292 -4.423
153 HD2 TYR 19 2HD TYR 19 -6.966 0.826 -0.243
154 HE1 TYR 19 1HE TYR 19 -8.371 1.570 -4.896
155 HE2 TYR 19 2HE TYR 19 -8.997 2.119 -0.711
156 HH TYR 19 HH TYR 19 -10.093 3.387 -2.534
157 H CYS 20 H CYS 20 -3.392 2.704 -2.705
158 HA CYS 20 HA CYS 20 -3.889 3.821 -0.102
159 HB2 CYS 20 2HB CYS 20 -1.182 3.994 -1.538
160 HB3 CYS 20 1HB CYS 20 -1.674 5.072 -0.246
161 H CYS 21 H CYS 21 -3.468 6.290 -0.580
162 HA CYS 21 HA CYS 21 -5.029 6.966 -2.797
163 HB2 CYS 21 2HB CYS 21 -3.185 8.629 -1.097
164 HB3 CYS 21 1HB CYS 21 -4.270 9.313 -2.323
165 HA PRO 22 HA PRO 22 -2.400 6.831 -6.242
166 HB2 PRO 22 2HB PRO 22 -3.188 9.080 -7.622
167 HB3 PRO 22 1HB PRO 22 -4.091 7.561 -7.596
168 HG2 PRO 22 2HG PRO 22 -4.528 10.056 -6.022
169 HG3 PRO 22 1HG PRO 22 -5.720 8.975 -6.766
170 HD2 PRO 22 2HD PRO 22 -5.150 8.935 -4.123
171 HD3 PRO 22 1HD PRO 22 -5.614 7.471 -5.007
172 H GLY 23 H GLY 23 -0.443 7.522 -6.901
173 HA2 GLY 23 2HA GLY 23 1.297 9.067 -7.228
174 HA3 GLY 23 1HA GLY 23 0.488 10.170 -6.118
175 H LEU 24 H LEU 24 0.517 7.092 -4.852
176 HA LEU 24 HA LEU 24 2.932 7.721 -3.294
177 HB2 LEU 24 2HB LEU 24 0.661 6.023 -2.239
178 HB3 LEU 24 1HB LEU 24 1.992 6.733 -1.419
179 HG LEU 24 HG LEU 24 -0.132 8.454 -2.643
180 HD11 LEU 24 1HD1 LEU 24 -1.170 7.117 -0.974
181 HD12 LEU 24 2HD1 LEU 24 -0.939 8.747 -0.335
182 HD13 LEU 24 3HD1 LEU 24 0.145 7.432 0.155
183 HD21 LEU 24 3HD2 LEU 24 1.945 9.601 -2.353
184 HD22 LEU 24 1HD2 LEU 24 2.118 8.989 -0.706
185 HD23 LEU 24 2HD2 LEU 24 0.829 10.126 -1.094
186 H ILE 25 H ILE 25 4.085 5.903 -2.549
187 HA ILE 25 HA ILE 25 3.595 3.413 -4.008
188 HB ILE 25 HB ILE 25 6.073 3.104 -4.230
189 HG12 ILE 25 2HG1 ILE 25 6.214 6.058 -3.546
190 HG13 ILE 25 1HG1 ILE 25 6.777 4.748 -2.519
191 HG21 ILE 25 1HG2 ILE 25 6.355 4.543 -6.207
192 HG22 ILE 25 2HG2 ILE 25 4.920 5.451 -5.727
193 HG23 ILE 25 3HG2 ILE 25 4.779 3.749 -6.165
194 HD11 ILE 25 3HD1 ILE 25 8.623 5.840 -3.660
195 HD12 ILE 25 1HD1 ILE 25 7.888 5.480 -5.221
196 HD13 ILE 25 2HD1 ILE 25 8.462 4.167 -4.193
197 H CYS 26 H CYS 26 4.060 1.563 -2.817
198 HA CYS 26 HA CYS 26 4.522 2.062 0.029
199 HB2 CYS 26 2HB CYS 26 2.642 0.563 -0.942
200 HB3 CYS 26 1HB CYS 26 3.946 -0.614 -1.187
201 H GLY 27 H GLY 27 6.497 2.442 0.330
202 HA2 GLY 27 2HA GLY 27 8.586 1.138 -1.131
203 HA3 GLY 27 1HA GLY 27 8.801 2.300 0.164
204 HA PRO 28 HA PRO 28 10.021 -1.060 2.660
205 HB2 PRO 28 2HB PRO 28 9.011 0.082 5.112
206 HB3 PRO 28 1HB PRO 28 10.674 0.033 4.535
207 HG2 PRO 28 2HG PRO 28 9.191 2.338 4.741
208 HG3 PRO 28 1HG PRO 28 10.557 2.128 3.635
209 HD2 PRO 28 2HD PRO 28 7.625 2.005 3.079
210 HD3 PRO 28 1HD PRO 28 8.936 2.663 2.087
211 H PHE 29 H PHE 29 7.240 -0.089 4.623
212 HA PHE 29 HA PHE 29 5.865 -2.550 3.801
213 HB2 PHE 29 2HB PHE 29 7.093 -2.745 6.019
214 HB3 PHE 29 1HB PHE 29 6.024 -1.499 6.637
215 HD1 PHE 29 2HD PHE 29 6.134 -4.894 5.256
216 HD2 PHE 29 1HD PHE 29 3.893 -2.056 7.458
217 HE1 PHE 29 2HE PHE 29 4.539 -6.663 5.887
218 HE2 PHE 29 1HE PHE 29 2.288 -3.818 8.100
219 HZ PHE 29 HZ PHE 29 2.615 -6.123 7.311
220 H VAL 30 H VAL 30 5.870 0.752 4.021
221 HA VAL 30 HA VAL 30 2.976 0.928 4.019
222 HB VAL 30 HB VAL 30 3.092 3.076 5.260
223 HG11 VAL 30 1HG1 VAL 30 3.545 2.157 7.503
224 HG12 VAL 30 2HG1 VAL 30 4.240 0.718 6.745
225 HG13 VAL 30 3HG1 VAL 30 2.535 1.108 6.514
226 HG21 VAL 30 3HG2 VAL 30 5.365 3.753 4.781
227 HG22 VAL 30 1HG2 VAL 30 5.996 2.357 5.660
228 HG23 VAL 30 2HG2 VAL 30 5.148 3.630 6.530
229 H CYS 31 H CYS 31 2.308 3.080 3.071
230 HA CYS 31 HA CYS 31 3.779 3.559 0.637
231 HB2 CYS 31 2HB CYS 31 1.134 4.585 1.692
232 HB3 CYS 31 1HB CYS 31 1.833 5.075 0.138
233 H VAL 32 H VAL 32 3.969 5.848 -0.056
234 HA VAL 32 HA VAL 32 4.755 7.872 1.637
235 HB VAL 32 HB VAL 32 6.513 6.355 2.446
236 HG11 VAL 32 1HG1 VAL 32 6.659 4.831 0.541
237 HG12 VAL 32 2HG1 VAL 32 8.252 5.460 0.953
238 HG13 VAL 32 3HG1 VAL 32 7.383 6.106 -0.441
239 HG21 VAL 32 3HG2 VAL 32 7.098 8.701 2.251
240 HG22 VAL 32 1HG2 VAL 32 7.632 8.450 0.591
241 HG23 VAL 32 2HG2 VAL 32 8.507 7.693 1.919
Start of MODEL 4
1 H1 ARG 1 H ARG 1 -9.438 10.448 -2.537
2 HA ARG 1 HA ARG 1 -11.833 9.844 -3.617
3 HB2 ARG 1 2HB ARG 1 -11.399 7.619 -4.561
4 HB3 ARG 1 1HB ARG 1 -10.685 8.895 -5.549
5 HG2 ARG 1 2HG ARG 1 -8.500 8.351 -4.728
6 HG3 ARG 1 1HG ARG 1 -9.177 7.237 -3.542
7 HD2 ARG 1 2HD ARG 1 -9.368 6.931 -6.535
8 HD3 ARG 1 1HD ARG 1 -8.232 6.072 -5.493
9 HE ARG 1 HE ARG 1 -10.902 5.688 -4.626
10 HH11 ARG 1 1HH1 ARG 1 -8.663 4.624 -7.176
11 HH12 ARG 1 2HH1 ARG 1 -9.439 3.134 -7.399
12 HH21 ARG 1 1HH2 ARG 1 -11.933 3.658 -4.935
13 HH22 ARG 1 2HH2 ARG 1 -11.356 2.568 -6.116
14 H ASP 2 H ASP 2 -12.297 7.367 -2.772
15 HA ASP 2 HA ASP 2 -11.517 7.505 -0.018
16 HB2 ASP 2 2HB ASP 2 -13.826 6.825 -0.594
17 HB3 ASP 2 1HB ASP 2 -13.189 5.384 -1.386
18 H CYS 3 H CYS 3 -9.424 7.252 -0.119
19 HA CYS 3 HA CYS 3 -8.440 4.512 -0.253
20 HB2 CYS 3 2HB CYS 3 -6.377 5.427 -1.398
21 HB3 CYS 3 1HB CYS 3 -7.819 5.367 -2.408
22 H GLN 4 H GLN 4 -5.935 4.809 0.549
23 HA GLN 4 HA GLN 4 -6.303 6.272 3.065
24 HB2 GLN 4 2HB GLN 4 -5.168 4.514 4.218
25 HB3 GLN 4 1HB GLN 4 -6.293 3.774 3.097
26 HG2 GLN 4 2HG GLN 4 -4.643 3.264 1.555
27 HG3 GLN 4 1HG GLN 4 -3.394 4.082 2.494
28 HE21 GLN 4 1HE2 GLN 4 -3.553 1.331 1.609
29 HE22 GLN 4 2HE2 GLN 4 -3.486 0.361 3.019
30 H GLU 5 H GLU 5 -4.408 7.097 3.997
31 HA GLU 5 HA GLU 5 -2.864 8.487 2.096
32 HB2 GLU 5 2HB GLU 5 -2.875 8.392 5.069
33 HB3 GLU 5 1HB GLU 5 -1.819 9.465 4.143
34 HG2 GLU 5 2HG GLU 5 -4.687 9.263 3.754
35 HG3 GLU 5 1HG GLU 5 -4.061 10.426 4.939
36 H LYS 6 H LYS 6 -0.580 8.832 2.990
37 HA LYS 6 HA LYS 6 0.756 6.549 1.971
38 HB2 LYS 6 2HB LYS 6 2.855 7.879 2.169
39 HB3 LYS 6 1HB LYS 6 1.561 8.680 1.287
40 HG2 LYS 6 2HG LYS 6 0.977 9.766 3.417
41 HG3 LYS 6 1HG LYS 6 2.532 9.261 4.062
42 HD2 LYS 6 2HD LYS 6 2.124 10.974 1.599
43 HD3 LYS 6 1HD LYS 6 2.503 11.623 3.185
44 HE2 LYS 6 2HE LYS 6 4.636 10.254 3.088
45 HE3 LYS 6 1HE LYS 6 4.213 9.895 1.412
46 HZ1 LYS 6 3HZ LYS 6 4.242 12.274 0.930
47 HZ2 LYS 6 1HZ LYS 6 5.732 11.765 1.533
48 HZ3 LYS 6 2HZ LYS 6 4.675 12.603 2.528
49 H TRP 7 H TRP 7 0.910 8.088 5.161
50 HA TRP 7 HA TRP 7 2.694 6.005 6.058
51 HB2 TRP 7 2HB TRP 7 1.546 8.374 7.494
52 HB3 TRP 7 1HB TRP 7 2.722 7.263 8.211
53 HD1 TRP 7 HD TRP 7 2.578 10.454 6.445
54 HE1 TRP 7 1HE TRP 7 4.849 11.093 5.431
55 HE3 TRP 7 3HE TRP 7 4.943 5.943 6.834
56 HZ2 TRP 7 2HZ TRP 7 7.312 9.857 4.874
57 HZ3 TRP 7 3HZ TRP 7 7.270 5.772 6.009
58 HH2 TRP 7 HH TRP 7 8.408 7.685 5.063
59 H GLU 8 H GLU 8 -0.008 5.301 5.339
60 HA GLU 8 HA GLU 8 -1.211 4.378 7.812
61 HB2 GLU 8 2HB GLU 8 -1.964 4.036 4.917
62 HB3 GLU 8 1HB GLU 8 -2.850 3.307 6.249
63 HG2 GLU 8 2HG GLU 8 -2.445 6.245 5.788
64 HG3 GLU 8 1HG GLU 8 -3.910 5.306 5.473
65 H TYR 9 H TYR 9 -1.990 1.878 7.331
66 HA TYR 9 HA TYR 9 0.330 0.348 7.662
67 HB2 TYR 9 2HB TYR 9 -2.486 -0.479 6.992
68 HB3 TYR 9 1HB TYR 9 -1.195 -1.631 7.297
69 HD1 TYR 9 1HD TYR 9 -0.158 -1.731 9.527
70 HD2 TYR 9 2HD TYR 9 -3.606 0.636 8.788
71 HE1 TYR 9 1HE TYR 9 -0.597 -1.648 11.928
72 HE2 TYR 9 2HE TYR 9 -4.064 0.733 11.185
73 HH TYR 9 HH TYR 9 -3.545 -0.551 13.217
74 H CYS 10 H CYS 10 -1.672 0.920 4.862
75 HA CYS 10 HA CYS 10 -1.552 0.433 2.688
76 HB2 CYS 10 2HB CYS 10 0.720 1.451 2.679
77 HB3 CYS 10 1HB CYS 10 1.408 -0.099 3.155
78 H ILE 11 H ILE 11 0.871 -1.916 3.734
79 HA ILE 11 HA ILE 11 -0.882 -3.999 2.684
80 HB ILE 11 HB ILE 11 2.078 -4.102 3.394
81 HG12 ILE 11 2HG1 ILE 11 0.789 -3.951 0.661
82 HG13 ILE 11 1HG1 ILE 11 1.585 -2.609 1.471
83 HG21 ILE 11 1HG2 ILE 11 0.343 -6.089 1.910
84 HG22 ILE 11 2HG2 ILE 11 0.990 -6.293 3.538
85 HG23 ILE 11 3HG2 ILE 11 2.084 -6.229 2.154
86 HD11 ILE 11 3HD1 ILE 11 3.693 -3.832 1.419
87 HD12 ILE 11 1HD1 ILE 11 3.025 -3.619 -0.199
88 HD13 ILE 11 2HD1 ILE 11 2.890 -5.180 0.614
89 H VAL 12 H VAL 12 -1.473 -5.655 4.058
90 HA VAL 12 HA VAL 12 -0.395 -5.557 6.744
91 HB VAL 12 HB VAL 12 -2.593 -6.337 7.673
92 HG11 VAL 12 1HG1 VAL 12 -3.762 -4.190 7.580
93 HG12 VAL 12 2HG1 VAL 12 -2.701 -3.682 6.264
94 HG13 VAL 12 3HG1 VAL 12 -2.032 -4.003 7.864
95 HG21 VAL 12 3HG2 VAL 12 -3.731 -5.582 4.992
96 HG22 VAL 12 1HG2 VAL 12 -4.643 -6.122 6.392
97 HG23 VAL 12 2HG2 VAL 12 -3.549 -7.242 5.569
98 HA PRO 13 HA PRO 13 0.602 -9.744 6.003
99 HB2 PRO 13 2HB PRO 13 -0.190 -10.621 8.674
100 HB3 PRO 13 1HB PRO 13 1.431 -10.457 7.993
101 HG2 PRO 13 2HG PRO 13 0.515 -8.809 9.922
102 HG3 PRO 13 1HG PRO 13 1.630 -8.258 8.660
103 HD2 PRO 13 2HD PRO 13 -1.336 -7.909 8.850
104 HD3 PRO 13 1HD PRO 13 -0.091 -6.729 8.386
105 H ILE 14 H ILE 14 -2.537 -8.973 6.667
106 HA ILE 14 HA ILE 14 -3.529 -11.704 6.232
107 HB ILE 14 HB ILE 14 -4.943 -9.266 7.380
108 HG12 ILE 14 2HG1 ILE 14 -3.366 -10.190 8.968
109 HG13 ILE 14 1HG1 ILE 14 -5.008 -10.555 9.485
110 HG21 ILE 14 1HG2 ILE 14 -6.516 -10.670 6.134
111 HG22 ILE 14 2HG2 ILE 14 -6.837 -10.708 7.868
112 HG23 ILE 14 3HG2 ILE 14 -6.019 -12.065 7.097
113 HD11 ILE 14 3HD1 ILE 14 -4.741 -12.843 8.586
114 HD12 ILE 14 1HD1 ILE 14 -3.573 -12.459 9.852
115 HD13 ILE 14 2HD1 ILE 14 -3.074 -12.451 8.166
116 H LEU 15 H LEU 15 -4.935 -12.027 4.468
117 HA LEU 15 HA LEU 15 -4.595 -10.308 2.259
118 HB2 LEU 15 2HB LEU 15 -6.596 -12.522 2.688
119 HB3 LEU 15 1HB LEU 15 -6.321 -11.718 1.158
120 HG LEU 15 HG LEU 15 -4.315 -13.410 2.651
121 HD11 LEU 15 1HD1 LEU 15 -5.839 -13.926 0.106
122 HD12 LEU 15 2HD1 LEU 15 -6.104 -14.719 1.659
123 HD13 LEU 15 3HD1 LEU 15 -4.588 -14.964 0.792
124 HD21 LEU 15 3HD2 LEU 15 -2.944 -13.170 0.619
125 HD22 LEU 15 1HD2 LEU 15 -3.194 -11.626 1.431
126 HD23 LEU 15 2HD2 LEU 15 -4.113 -12.017 -0.020
127 H GLY 16 H GLY 16 -5.939 -8.897 1.268
128 HA2 GLY 16 2HA GLY 16 -8.027 -7.793 1.018
129 HA3 GLY 16 1HA GLY 16 -8.381 -8.144 2.707
130 H PHE 17 H PHE 17 -5.334 -6.845 1.449
131 HA PHE 17 HA PHE 17 -5.661 -4.675 3.312
132 HB2 PHE 17 2HB PHE 17 -3.359 -4.048 2.926
133 HB3 PHE 17 1HB PHE 17 -3.429 -5.790 3.069
134 HD1 PHE 17 2HD PHE 17 -2.840 -2.980 0.802
135 HD2 PHE 17 1HD PHE 17 -2.806 -7.205 1.229
136 HE1 PHE 17 2HE PHE 17 -1.527 -3.170 -1.248
137 HE2 PHE 17 1HE PHE 17 -1.473 -7.404 -0.814
138 HZ PHE 17 HZ PHE 17 -0.830 -5.385 -2.061
139 H VAL 18 H VAL 18 -5.011 -2.433 2.585
140 HA VAL 18 HA VAL 18 -6.778 -1.810 0.326
141 HB VAL 18 HB VAL 18 -5.883 -0.021 2.613
142 HG11 VAL 18 1HG1 VAL 18 -7.740 1.432 1.957
143 HG12 VAL 18 2HG1 VAL 18 -8.095 0.351 0.609
144 HG13 VAL 18 3HG1 VAL 18 -6.568 1.231 0.650
145 HG21 VAL 18 3HG2 VAL 18 -8.128 -0.341 3.575
146 HG22 VAL 18 1HG2 VAL 18 -7.203 -1.843 3.516
147 HG23 VAL 18 2HG2 VAL 18 -8.468 -1.543 2.328
148 H TYR 19 H TYR 19 -5.995 -0.347 -1.265
149 HA TYR 19 HA TYR 19 -3.122 -0.020 -1.260
150 HB2 TYR 19 2HB TYR 19 -5.200 0.622 -3.369
151 HB3 TYR 19 1HB TYR 19 -3.471 0.890 -3.560
152 HD1 TYR 19 2HD TYR 19 -1.965 -1.210 -3.191
153 HD2 TYR 19 1HD TYR 19 -6.110 -1.389 -4.092
154 HE1 TYR 19 2HE TYR 19 -1.685 -3.493 -3.984
155 HE2 TYR 19 1HE TYR 19 -5.845 -3.688 -4.891
156 HH TYR 19 HH TYR 19 -3.161 -5.536 -4.237
157 H CYS 20 H CYS 20 -2.132 1.992 -1.272
158 HA CYS 20 HA CYS 20 -3.710 3.993 0.046
159 HB2 CYS 20 2HB CYS 20 -1.590 5.272 0.155
160 HB3 CYS 20 1HB CYS 20 -1.446 3.660 0.836
161 H CYS 21 H CYS 21 -3.652 6.186 -0.686
162 HA CYS 21 HA CYS 21 -4.927 6.556 -3.059
163 HB2 CYS 21 2HB CYS 21 -3.324 8.437 -1.384
164 HB3 CYS 21 1HB CYS 21 -4.373 8.968 -2.720
165 HA PRO 22 HA PRO 22 -2.085 6.498 -6.362
166 HB2 PRO 22 2HB PRO 22 -3.101 8.523 -7.940
167 HB3 PRO 22 1HB PRO 22 -3.774 6.892 -7.858
168 HG2 PRO 22 2HG PRO 22 -4.687 9.388 -6.507
169 HG3 PRO 22 1HG PRO 22 -5.645 8.063 -7.189
170 HD2 PRO 22 2HD PRO 22 -5.151 8.352 -4.505
171 HD3 PRO 22 1HD PRO 22 -5.424 6.774 -5.272
172 H GLY 23 H GLY 23 -0.124 7.289 -6.674
173 HA2 GLY 23 2HA GLY 23 1.409 9.093 -7.059
174 HA3 GLY 23 1HA GLY 23 0.411 10.107 -6.019
175 H LEU 24 H LEU 24 0.579 7.115 -4.650
176 HA LEU 24 HA LEU 24 2.880 7.915 -3.002
177 HB2 LEU 24 2HB LEU 24 0.704 6.082 -2.038
178 HB3 LEU 24 1HB LEU 24 1.924 6.912 -1.170
179 HG LEU 24 HG LEU 24 -0.250 8.428 -2.556
180 HD11 LEU 24 1HD1 LEU 24 -0.020 7.439 0.238
181 HD12 LEU 24 2HD1 LEU 24 -1.286 7.073 -0.967
182 HD13 LEU 24 3HD1 LEU 24 -1.163 8.690 -0.274
183 HD21 LEU 24 3HD2 LEU 24 1.691 9.757 -2.180
184 HD22 LEU 24 1HD2 LEU 24 1.856 9.163 -0.530
185 HD23 LEU 24 2HD2 LEU 24 0.495 10.196 -0.960
186 H ILE 25 H ILE 25 4.214 6.355 -2.397
187 HA ILE 25 HA ILE 25 4.039 3.907 -4.002
188 HB ILE 25 HB ILE 25 6.539 3.772 -3.876
189 HG12 ILE 25 2HG1 ILE 25 6.328 6.608 -2.807
190 HG13 ILE 25 1HG1 ILE 25 6.879 5.210 -1.897
191 HG21 ILE 25 1HG2 ILE 25 5.464 4.598 -5.869
192 HG22 ILE 25 2HG2 ILE 25 6.957 5.493 -5.587
193 HG23 ILE 25 3HG2 ILE 25 5.402 6.226 -5.199
194 HD11 ILE 25 3HD1 ILE 25 8.240 6.396 -4.309
195 HD12 ILE 25 1HD1 ILE 25 8.804 5.001 -3.389
196 HD13 ILE 25 2HD1 ILE 25 8.742 6.592 -2.628
197 H CYS 26 H CYS 26 4.047 2.029 -2.988
198 HA CYS 26 HA CYS 26 4.246 2.126 -0.082
199 HB2 CYS 26 2HB CYS 26 2.272 1.080 -1.277
200 HB3 CYS 26 1HB CYS 26 3.353 -0.217 -1.792
201 H GLY 27 H GLY 27 6.316 2.284 0.248
202 HA2 GLY 27 2HA GLY 27 8.249 0.758 -1.267
203 HA3 GLY 27 1HA GLY 27 8.578 1.957 -0.031
204 HA PRO 28 HA PRO 28 9.886 -1.138 2.691
205 HB2 PRO 28 2HB PRO 28 8.921 -0.185 5.103
206 HB3 PRO 28 1HB PRO 28 10.391 0.395 4.316
207 HG2 PRO 28 2HG PRO 28 7.652 1.579 4.324
208 HG3 PRO 28 1HG PRO 28 9.225 2.392 4.413
209 HD2 PRO 28 2HD PRO 28 7.782 2.313 2.145
210 HD3 PRO 28 1HD PRO 28 9.555 2.259 2.128
211 H PHE 29 H PHE 29 6.588 -0.102 3.381
212 HA PHE 29 HA PHE 29 5.406 -2.639 3.312
213 HB2 PHE 29 2HB PHE 29 6.755 -2.825 5.431
214 HB3 PHE 29 1HB PHE 29 5.896 -1.421 6.042
215 HD1 PHE 29 2HD PHE 29 5.583 -4.916 5.052
216 HD2 PHE 29 1HD PHE 29 3.780 -1.623 6.966
217 HE1 PHE 29 2HE PHE 29 3.878 -6.440 5.995
218 HE2 PHE 29 1HE PHE 29 2.051 -3.118 7.947
219 HZ PHE 29 HZ PHE 29 2.106 -5.527 7.454
220 H VAL 30 H VAL 30 5.651 0.648 4.459
221 HA VAL 30 HA VAL 30 2.792 1.059 4.133
222 HB VAL 30 HB VAL 30 3.123 3.143 5.371
223 HG11 VAL 30 1HG1 VAL 30 3.712 2.250 7.551
224 HG12 VAL 30 2HG1 VAL 30 4.372 0.796 6.785
225 HG13 VAL 30 3HG1 VAL 30 2.647 1.173 6.655
226 HG21 VAL 30 3HG2 VAL 30 5.388 3.693 4.633
227 HG22 VAL 30 1HG2 VAL 30 6.033 2.350 5.581
228 HG23 VAL 30 2HG2 VAL 30 5.273 3.723 6.391
229 H CYS 31 H CYS 31 2.426 3.402 3.321
230 HA CYS 31 HA CYS 31 3.920 3.722 0.840
231 HB2 CYS 31 2HB CYS 31 1.284 4.749 1.822
232 HB3 CYS 31 1HB CYS 31 2.034 5.325 0.317
233 H VAL 32 H VAL 32 3.938 6.136 0.240
234 HA VAL 32 HA VAL 32 4.752 8.057 1.969
235 HB VAL 32 HB VAL 32 6.532 6.551 2.759
236 HG11 VAL 32 1HG1 VAL 32 7.445 6.405 -0.119
237 HG12 VAL 32 2HG1 VAL 32 6.730 5.086 0.808
238 HG13 VAL 32 3HG1 VAL 32 8.307 5.733 1.266
239 HG21 VAL 32 3HG2 VAL 32 8.495 7.924 2.310
240 HG22 VAL 32 1HG2 VAL 32 7.068 8.902 2.633
241 HG23 VAL 32 2HG2 VAL 32 7.648 8.712 0.972
Start of MODEL 5
1 H1 ARG 1 H ARG 1 -12.677 7.554 -5.617
2 HA ARG 1 HA ARG 1 -13.069 4.874 -5.186
3 HB2 ARG 1 2HB ARG 1 -10.144 5.638 -5.349
4 HB3 ARG 1 1HB ARG 1 -10.777 4.103 -4.798
5 HG2 ARG 1 2HG ARG 1 -11.614 3.643 -7.057
6 HG3 ARG 1 1HG ARG 1 -10.965 5.193 -7.601
7 HD2 ARG 1 2HD ARG 1 -9.395 3.474 -8.198
8 HD3 ARG 1 1HD ARG 1 -8.703 4.429 -6.893
9 HE ARG 1 HE ARG 1 -10.110 2.091 -5.994
10 HH11 ARG 1 1HH1 ARG 1 -6.953 3.319 -7.020
11 HH12 ARG 1 2HH1 ARG 1 -6.077 1.980 -6.437
12 HH21 ARG 1 1HH2 ARG 1 -8.891 0.249 -5.171
13 HH22 ARG 1 2HH2 ARG 1 -7.193 0.201 -5.369
14 H ASP 2 H ASP 2 -12.004 4.326 -3.006
15 HA ASP 2 HA ASP 2 -11.754 6.689 -1.306
16 HB2 ASP 2 2HB ASP 2 -13.640 5.179 -0.641
17 HB3 ASP 2 1HB ASP 2 -12.524 3.820 -0.610
18 H CYS 3 H CYS 3 -9.770 6.846 -0.421
19 HA CYS 3 HA CYS 3 -8.027 4.520 -0.657
20 HB2 CYS 3 2HB CYS 3 -6.182 5.958 -1.488
21 HB3 CYS 3 1HB CYS 3 -7.517 5.803 -2.621
22 H GLN 4 H GLN 4 -5.841 5.057 0.429
23 HA GLN 4 HA GLN 4 -6.455 6.339 3.021
24 HB2 GLN 4 2HB GLN 4 -5.305 4.558 4.145
25 HB3 GLN 4 1HB GLN 4 -6.382 3.836 2.956
26 HG2 GLN 4 2HG GLN 4 -4.617 3.435 1.440
27 HG3 GLN 4 1HG GLN 4 -3.447 4.218 2.508
28 HE21 GLN 4 1HE2 GLN 4 -3.455 1.597 1.416
29 HE22 GLN 4 2HE2 GLN 4 -3.485 0.446 2.685
30 H GLU 5 H GLU 5 -4.613 7.033 4.144
31 HA GLU 5 HA GLU 5 -2.960 8.652 2.558
32 HB2 GLU 5 2HB GLU 5 -3.041 7.968 5.460
33 HB3 GLU 5 1HB GLU 5 -1.835 9.074 4.795
34 HG2 GLU 5 2HG GLU 5 -4.634 9.387 4.167
35 HG3 GLU 5 1HG GLU 5 -4.135 9.983 5.767
36 H LYS 6 H LYS 6 -0.674 8.692 3.015
37 HA LYS 6 HA LYS 6 0.375 6.315 1.907
38 HB2 LYS 6 2HB LYS 6 2.569 7.487 1.784
39 HB3 LYS 6 1HB LYS 6 1.246 8.439 1.131
40 HG2 LYS 6 2HG LYS 6 1.132 9.296 3.523
41 HG3 LYS 6 1HG LYS 6 2.821 8.843 3.595
42 HD2 LYS 6 2HD LYS 6 1.635 10.644 1.488
43 HD3 LYS 6 1HD LYS 6 2.400 11.244 2.949
44 HE2 LYS 6 2HE LYS 6 4.491 10.103 2.234
45 HE3 LYS 6 1HE LYS 6 3.676 9.640 0.739
46 HZ1 LYS 6 3HZ LYS 6 3.349 12.042 0.289
47 HZ2 LYS 6 1HZ LYS 6 4.968 11.590 0.368
48 HZ3 LYS 6 2HZ LYS 6 4.276 12.392 1.662
49 H TRP 7 H TRP 7 0.889 7.874 5.020
50 HA TRP 7 HA TRP 7 2.702 5.796 5.893
51 HB2 TRP 7 2HB TRP 7 1.573 8.139 7.436
52 HB3 TRP 7 1HB TRP 7 2.883 7.094 7.975
53 HD1 TRP 7 HD TRP 7 2.282 10.264 6.174
54 HE1 TRP 7 1HE TRP 7 4.436 11.120 5.062
55 HE3 TRP 7 3HE TRP 7 5.134 6.068 6.589
56 HZ2 TRP 7 2HZ TRP 7 6.985 10.155 4.439
57 HZ3 TRP 7 3HZ TRP 7 7.440 6.119 5.684
58 HH2 TRP 7 HH TRP 7 8.324 8.128 4.637
59 H GLU 8 H GLU 8 -0.024 5.055 5.300
60 HA GLU 8 HA GLU 8 -1.248 4.285 7.816
61 HB2 GLU 8 2HB GLU 8 -1.949 3.861 4.929
62 HB3 GLU 8 1HB GLU 8 -2.861 3.133 6.245
63 HG2 GLU 8 2HG GLU 8 -2.366 6.068 6.031
64 HG3 GLU 8 1HG GLU 8 -3.768 5.275 5.313
65 H TYR 9 H TYR 9 -2.153 1.747 7.260
66 HA TYR 9 HA TYR 9 0.182 0.201 7.774
67 HB2 TYR 9 2HB TYR 9 -2.688 -0.625 7.329
68 HB3 TYR 9 1HB TYR 9 -1.401 -1.741 7.773
69 HD1 TYR 9 1HD TYR 9 -0.275 -1.501 9.966
70 HD2 TYR 9 2HD TYR 9 -3.733 0.772 8.969
71 HE1 TYR 9 1HE TYR 9 -0.619 -1.008 12.324
72 HE2 TYR 9 2HE TYR 9 -4.086 1.280 11.334
73 HH TYR 9 HH TYR 9 -3.499 0.302 13.500
74 H CYS 10 H CYS 10 -1.478 1.096 4.976
75 HA CYS 10 HA CYS 10 -1.240 0.729 2.810
76 HB2 CYS 10 2HB CYS 10 1.144 1.016 3.089
77 HB3 CYS 10 1HB CYS 10 1.349 -0.659 3.601
78 H ILE 11 H ILE 11 -0.008 -2.393 4.027
79 HA ILE 11 HA ILE 11 -2.347 -3.570 2.770
80 HB ILE 11 HB ILE 11 -1.078 -5.635 2.255
81 HG12 ILE 11 2HG1 ILE 11 0.895 -5.250 3.806
82 HG13 ILE 11 1HG1 ILE 11 1.332 -5.778 2.194
83 HG21 ILE 11 1HG2 ILE 11 0.022 -4.835 0.222
84 HG22 ILE 11 2HG2 ILE 11 -0.157 -3.183 0.819
85 HG23 ILE 11 3HG2 ILE 11 -1.587 -4.161 0.487
86 HD11 ILE 11 3HD1 ILE 11 1.962 -3.466 1.639
87 HD12 ILE 11 1HD1 ILE 11 2.864 -4.092 3.018
88 HD13 ILE 11 2HD1 ILE 11 1.533 -2.967 3.274
89 H VAL 12 H VAL 12 -3.451 -4.992 3.872
90 HA VAL 12 HA VAL 12 -2.701 -5.311 6.673
91 HB VAL 12 HB VAL 12 -5.145 -5.854 7.019
92 HG11 VAL 12 1HG1 VAL 12 -5.940 -3.553 6.751
93 HG12 VAL 12 2HG1 VAL 12 -4.556 -3.199 5.715
94 HG13 VAL 12 3HG1 VAL 12 -4.307 -3.602 7.414
95 HG21 VAL 12 3HG2 VAL 12 -5.653 -6.625 4.741
96 HG22 VAL 12 1HG2 VAL 12 -5.396 -4.990 4.130
97 HG23 VAL 12 2HG2 VAL 12 -6.734 -5.323 5.232
98 HA PRO 13 HA PRO 13 -2.133 -9.673 6.142
99 HB2 PRO 13 2HB PRO 13 -2.713 -10.662 8.557
100 HB3 PRO 13 1HB PRO 13 -1.340 -9.572 8.321
101 HG2 PRO 13 2HG PRO 13 -4.089 -8.940 9.343
102 HG3 PRO 13 1HG PRO 13 -2.522 -8.448 10.007
103 HD2 PRO 13 2HD PRO 13 -4.028 -6.829 8.448
104 HD3 PRO 13 1HD PRO 13 -2.256 -6.764 8.461
105 H ILE 14 H ILE 14 -5.092 -8.424 6.262
106 HA ILE 14 HA ILE 14 -6.484 -10.995 6.026
107 HB ILE 14 HB ILE 14 -8.535 -9.799 6.844
108 HG12 ILE 14 2HG1 ILE 14 -6.546 -7.626 7.546
109 HG13 ILE 14 1HG1 ILE 14 -7.831 -7.507 6.354
110 HG21 ILE 14 1HG2 ILE 14 -7.929 -9.836 9.229
111 HG22 ILE 14 2HG2 ILE 14 -6.224 -9.913 8.783
112 HG23 ILE 14 3HG2 ILE 14 -7.308 -11.239 8.363
113 HD11 ILE 14 3HD1 ILE 14 -8.425 -6.348 8.378
114 HD12 ILE 14 1HD1 ILE 14 -8.165 -7.817 9.322
115 HD13 ILE 14 2HD1 ILE 14 -9.478 -7.750 8.151
116 H LEU 15 H LEU 15 -8.737 -10.397 4.829
117 HA LEU 15 HA LEU 15 -7.829 -9.153 2.376
118 HB2 LEU 15 2HB LEU 15 -10.284 -10.796 2.970
119 HB3 LEU 15 1HB LEU 15 -10.023 -10.011 1.434
120 HG LEU 15 HG LEU 15 -7.932 -11.419 1.181
121 HD11 LEU 15 1HD1 LEU 15 -9.083 -12.940 3.508
122 HD12 LEU 15 2HD1 LEU 15 -7.577 -12.024 3.501
123 HD13 LEU 15 3HD1 LEU 15 -7.740 -13.460 2.487
124 HD21 LEU 15 3HD2 LEU 15 -10.571 -12.852 1.392
125 HD22 LEU 15 1HD2 LEU 15 -9.159 -13.420 0.504
126 HD23 LEU 15 2HD2 LEU 15 -9.980 -11.944 0.001
127 H GLY 16 H GLY 16 -9.737 -8.004 1.165
128 HA2 GLY 16 2HA GLY 16 -11.253 -6.239 1.177
129 HA3 GLY 16 1HA GLY 16 -11.184 -6.216 2.939
130 H PHE 17 H PHE 17 -8.505 -6.205 0.716
131 HA PHE 17 HA PHE 17 -6.964 -4.396 2.118
132 HB2 PHE 17 2HB PHE 17 -6.827 -5.056 -0.823
133 HB3 PHE 17 1HB PHE 17 -5.605 -4.180 0.075
134 HD1 PHE 17 1HD PHE 17 -7.267 -7.433 -0.312
135 HD2 PHE 17 2HD PHE 17 -4.027 -5.292 1.411
136 HE1 PHE 17 1HE PHE 17 -6.196 -9.547 0.276
137 HE2 PHE 17 2HE PHE 17 -2.942 -7.413 2.002
138 HZ PHE 17 HZ PHE 17 -4.034 -9.546 1.426
139 H VAL 18 H VAL 18 -6.764 -2.331 2.212
140 HA VAL 18 HA VAL 18 -8.319 -0.665 0.419
141 HB VAL 18 HB VAL 18 -7.978 1.138 2.141
142 HG11 VAL 18 1HG1 VAL 18 -10.021 -0.206 2.200
143 HG12 VAL 18 2HG1 VAL 18 -9.522 0.258 3.825
144 HG13 VAL 18 3HG1 VAL 18 -9.224 -1.381 3.245
145 HG21 VAL 18 3HG2 VAL 18 -7.153 0.552 4.377
146 HG22 VAL 18 1HG2 VAL 18 -5.907 0.299 3.154
147 HG23 VAL 18 2HG2 VAL 18 -6.785 -1.080 3.818
148 H TYR 19 H TYR 19 -7.178 1.011 -0.624
149 HA TYR 19 HA TYR 19 -4.319 0.407 -0.761
150 HB2 TYR 19 2HB TYR 19 -6.156 1.283 -2.993
151 HB3 TYR 19 1HB TYR 19 -4.431 0.963 -3.145
152 HD1 TYR 19 2HD TYR 19 -3.586 -1.365 -2.916
153 HD2 TYR 19 1HD TYR 19 -7.752 -0.525 -2.939
154 HE1 TYR 19 2HE TYR 19 -4.050 -3.724 -3.365
155 HE2 TYR 19 1HE TYR 19 -8.233 -2.885 -3.385
156 HH TYR 19 HH TYR 19 -5.874 -5.339 -3.125
157 H CYS 20 H CYS 20 -2.904 2.111 -1.194
158 HA CYS 20 HA CYS 20 -3.607 4.509 0.171
159 HB2 CYS 20 2HB CYS 20 -1.129 3.898 -1.464
160 HB3 CYS 20 1HB CYS 20 -1.324 5.228 -0.333
161 H CYS 21 H CYS 21 -3.724 6.561 -0.628
162 HA CYS 21 HA CYS 21 -5.053 7.022 -3.013
163 HB2 CYS 21 2HB CYS 21 -3.418 8.884 -1.295
164 HB3 CYS 21 1HB CYS 21 -4.467 9.439 -2.607
165 HA PRO 22 HA PRO 22 -2.230 6.885 -6.332
166 HB2 PRO 22 2HB PRO 22 -2.951 9.082 -7.810
167 HB3 PRO 22 1HB PRO 22 -3.857 7.563 -7.781
168 HG2 PRO 22 2HG PRO 22 -4.355 10.094 -6.272
169 HG3 PRO 22 1HG PRO 22 -5.514 9.029 -7.091
170 HD2 PRO 22 2HD PRO 22 -5.147 8.958 -4.416
171 HD3 PRO 22 1HD PRO 22 -5.505 7.482 -5.339
172 H GLY 23 H GLY 23 -0.237 7.602 -6.936
173 HA2 GLY 23 2HA GLY 23 1.428 9.237 -7.221
174 HA3 GLY 23 1HA GLY 23 0.597 10.257 -6.056
175 H LEU 24 H LEU 24 0.643 7.156 -4.919
176 HA LEU 24 HA LEU 24 3.032 7.735 -3.305
177 HB2 LEU 24 2HB LEU 24 0.761 6.025 -2.273
178 HB3 LEU 24 1HB LEU 24 2.051 6.791 -1.451
179 HG LEU 24 HG LEU 24 -0.068 8.463 -2.750
180 HD11 LEU 24 1HD1 LEU 24 -0.964 8.740 -0.452
181 HD12 LEU 24 2HD1 LEU 24 0.027 7.340 0.028
182 HD13 LEU 24 3HD1 LEU 24 -1.227 7.178 -1.203
183 HD21 LEU 24 3HD2 LEU 24 2.012 9.620 -2.318
184 HD22 LEU 24 1HD2 LEU 24 2.023 9.036 -0.652
185 HD23 LEU 24 2HD2 LEU 24 0.776 10.164 -1.183
186 H ILE 25 H ILE 25 4.096 5.878 -2.541
187 HA ILE 25 HA ILE 25 3.667 3.423 -4.082
188 HB ILE 25 HB ILE 25 6.169 3.122 -4.131
189 HG12 ILE 25 2HG1 ILE 25 6.207 6.072 -3.413
190 HG13 ILE 25 1HG1 ILE 25 6.737 4.761 -2.371
191 HG21 ILE 25 1HG2 ILE 25 6.550 4.571 -6.080
192 HG22 ILE 25 2HG2 ILE 25 5.076 5.457 -5.688
193 HG23 ILE 25 3HG2 ILE 25 4.986 3.757 -6.140
194 HD11 ILE 25 3HD1 ILE 25 8.611 5.924 -3.391
195 HD12 ILE 25 1HD1 ILE 25 7.982 5.550 -4.994
196 HD13 ILE 25 2HD1 ILE 25 8.537 4.250 -3.938
197 H CYS 26 H CYS 26 4.012 1.562 -2.907
198 HA CYS 26 HA CYS 26 4.423 1.984 -0.035
199 HB2 CYS 26 2HB CYS 26 2.374 0.722 -0.966
200 HB3 CYS 26 1HB CYS 26 3.504 -0.559 -1.382
201 H GLY 27 H GLY 27 6.536 2.254 -0.029
202 HA2 GLY 27 2HA GLY 27 8.326 0.590 -1.509
203 HA3 GLY 27 1HA GLY 27 8.787 1.850 -0.387
204 HA PRO 28 HA PRO 28 9.845 -1.362 2.355
205 HB2 PRO 28 2HB PRO 28 9.409 0.068 4.794
206 HB3 PRO 28 1HB PRO 28 10.910 -0.085 3.894
207 HG2 PRO 28 2HG PRO 28 9.464 2.283 4.186
208 HG3 PRO 28 1HG PRO 28 10.705 1.979 2.965
209 HD2 PRO 28 2HD PRO 28 7.733 1.884 2.713
210 HD3 PRO 28 1HD PRO 28 8.951 2.408 1.536
211 H PHE 29 H PHE 29 7.627 0.027 4.716
212 HA PHE 29 HA PHE 29 6.017 -2.413 4.462
213 HB2 PHE 29 2HB PHE 29 6.433 -0.674 6.905
214 HB3 PHE 29 1HB PHE 29 5.437 -2.114 6.823
215 HD1 PHE 29 2HD PHE 29 6.663 -4.318 6.178
216 HD2 PHE 29 1HD PHE 29 8.639 -0.823 7.589
217 HE1 PHE 29 2HE PHE 29 8.593 -5.684 6.835
218 HE2 PHE 29 1HE PHE 29 10.576 -2.180 8.250
219 HZ PHE 29 HZ PHE 29 10.559 -4.617 7.879
220 H VAL 30 H VAL 30 6.037 1.000 4.285
221 HA VAL 30 HA VAL 30 3.110 1.030 4.199
222 HB VAL 30 HB VAL 30 3.083 3.211 5.285
223 HG11 VAL 30 1HG1 VAL 30 2.916 1.296 6.747
224 HG12 VAL 30 2HG1 VAL 30 3.799 2.595 7.548
225 HG13 VAL 30 3HG1 VAL 30 4.672 1.212 6.883
226 HG21 VAL 30 3HG2 VAL 30 5.180 4.096 6.347
227 HG22 VAL 30 1HG2 VAL 30 5.168 4.160 4.577
228 HG23 VAL 30 2HG2 VAL 30 6.072 2.904 5.399
229 H CYS 31 H CYS 31 2.458 3.295 3.228
230 HA CYS 31 HA CYS 31 3.862 3.610 0.692
231 HB2 CYS 31 2HB CYS 31 1.266 4.683 1.764
232 HB3 CYS 31 1HB CYS 31 1.910 5.056 0.153
233 H VAL 32 H VAL 32 3.975 5.894 -0.028
234 HA VAL 32 HA VAL 32 4.568 7.976 1.643
235 HB VAL 32 HB VAL 32 6.456 6.662 2.493
236 HG11 VAL 32 1HG1 VAL 32 6.705 5.068 0.642
237 HG12 VAL 32 2HG1 VAL 32 8.249 5.835 1.009
238 HG13 VAL 32 3HG1 VAL 32 7.318 6.355 -0.396
239 HG21 VAL 32 3HG2 VAL 32 7.395 8.736 0.518
240 HG22 VAL 32 1HG2 VAL 32 8.329 8.122 1.884
241 HG23 VAL 32 2HG2 VAL 32 6.847 9.032 2.170
Start of MODEL 6
1 H1 ARG 1 H ARG 1 -12.033 9.564 -4.796
2 HA ARG 1 HA ARG 1 -12.514 6.867 -5.167
3 HB2 ARG 1 2HB ARG 1 -10.566 6.986 -6.706
4 HB3 ARG 1 1HB ARG 1 -9.630 7.654 -5.357
5 HG2 ARG 1 2HG ARG 1 -9.996 5.572 -4.128
6 HG3 ARG 1 1HG ARG 1 -10.800 4.909 -5.551
7 HD2 ARG 1 2HD ARG 1 -8.771 5.229 -6.854
8 HD3 ARG 1 1HD ARG 1 -7.960 5.912 -5.441
9 HE ARG 1 HE ARG 1 -9.116 3.335 -5.064
10 HH11 ARG 1 1HH1 ARG 1 -6.129 5.024 -6.036
11 HH12 ARG 1 2HH1 ARG 1 -5.092 3.749 -5.643
12 HH21 ARG 1 1HH2 ARG 1 -7.697 1.565 -4.549
13 HH22 ARG 1 2HH2 ARG 1 -6.010 1.717 -4.797
14 H ASP 2 H ASP 2 -12.479 5.985 -3.242
15 HA ASP 2 HA ASP 2 -11.601 7.627 -1.015
16 HB2 ASP 2 2HB ASP 2 -13.858 6.560 -0.933
17 HB3 ASP 2 1HB ASP 2 -13.073 4.988 -0.934
18 H CYS 3 H CYS 3 -9.502 7.464 -0.890
19 HA CYS 3 HA CYS 3 -8.323 4.799 -0.739
20 HB2 CYS 3 2HB CYS 3 -6.241 5.966 -1.572
21 HB3 CYS 3 1HB CYS 3 -7.548 5.803 -2.739
22 H GLN 4 H GLN 4 -5.991 5.180 0.349
23 HA GLN 4 HA GLN 4 -6.611 6.537 2.900
24 HB2 GLN 4 2HB GLN 4 -5.656 4.729 4.090
25 HB3 GLN 4 1HB GLN 4 -6.607 4.015 2.791
26 HG2 GLN 4 2HG GLN 4 -4.692 3.585 1.485
27 HG3 GLN 4 1HG GLN 4 -3.626 4.338 2.672
28 HE21 GLN 4 1HE2 GLN 4 -3.486 1.732 1.655
29 HE22 GLN 4 2HE2 GLN 4 -3.741 0.602 2.926
30 H GLU 5 H GLU 5 -4.751 7.013 4.138
31 HA GLU 5 HA GLU 5 -2.999 8.689 2.779
32 HB2 GLU 5 2HB GLU 5 -3.237 7.705 5.569
33 HB3 GLU 5 1HB GLU 5 -1.940 8.792 5.087
34 HG2 GLU 5 2HG GLU 5 -4.701 9.236 4.396
35 HG3 GLU 5 1HG GLU 5 -4.155 9.830 5.984
36 H LYS 6 H LYS 6 -0.735 8.648 3.238
37 HA LYS 6 HA LYS 6 0.174 6.246 1.989
38 HB2 LYS 6 2HB LYS 6 2.101 7.353 1.284
39 HB3 LYS 6 1HB LYS 6 0.882 8.601 1.320
40 HG2 LYS 6 2HG LYS 6 1.885 9.108 3.641
41 HG3 LYS 6 1HG LYS 6 3.270 8.238 3.052
42 HD2 LYS 6 2HD LYS 6 3.005 9.799 0.903
43 HD3 LYS 6 1HD LYS 6 2.062 10.757 2.074
44 HE2 LYS 6 2HE LYS 6 3.868 10.895 3.510
45 HE3 LYS 6 1HE LYS 6 4.896 9.934 2.445
46 HZ1 LYS 6 3HZ LYS 6 3.732 12.603 1.881
47 HZ2 LYS 6 1HZ LYS 6 4.640 11.717 0.766
48 HZ3 LYS 6 2HZ LYS 6 5.349 12.266 2.201
49 H TRP 7 H TRP 7 0.803 7.851 5.011
50 HA TRP 7 HA TRP 7 2.700 5.860 5.820
51 HB2 TRP 7 2HB TRP 7 1.420 8.090 7.388
52 HB3 TRP 7 1HB TRP 7 2.726 7.066 7.978
53 HD1 TRP 7 HD TRP 7 2.113 10.190 6.049
54 HE1 TRP 7 1HE TRP 7 4.313 11.102 5.118
55 HE3 TRP 7 3HE TRP 7 5.076 6.125 6.826
56 HZ2 TRP 7 2HZ TRP 7 6.939 10.237 4.735
57 HZ3 TRP 7 3HZ TRP 7 7.426 6.245 6.093
58 HH2 TRP 7 HH TRP 7 8.330 8.259 5.088
59 H GLU 8 H GLU 8 -0.075 4.948 5.262
60 HA GLU 8 HA GLU 8 -1.020 4.029 7.843
61 HB2 GLU 8 2HB GLU 8 -2.016 3.608 5.026
62 HB3 GLU 8 1HB GLU 8 -2.736 2.826 6.424
63 HG2 GLU 8 2HG GLU 8 -2.520 5.802 6.046
64 HG3 GLU 8 1HG GLU 8 -3.943 4.815 5.684
65 H TYR 9 H TYR 9 -1.747 1.481 7.470
66 HA TYR 9 HA TYR 9 0.819 0.248 7.605
67 HB2 TYR 9 2HB TYR 9 -1.953 -0.864 7.982
68 HB3 TYR 9 1HB TYR 9 -0.524 -1.892 8.011
69 HD1 TYR 9 1HD TYR 9 -2.286 0.851 9.757
70 HD2 TYR 9 2HD TYR 9 0.969 -1.888 9.883
71 HE1 TYR 9 1HE TYR 9 -1.922 1.398 12.101
72 HE2 TYR 9 2HE TYR 9 1.340 -1.348 12.233
73 HH TYR 9 HH TYR 9 -0.881 0.349 14.124
74 H CYS 10 H CYS 10 -1.408 0.685 5.108
75 HA CYS 10 HA CYS 10 -1.399 0.136 2.898
76 HB2 CYS 10 2HB CYS 10 0.958 0.879 3.017
77 HB3 CYS 10 1HB CYS 10 1.471 -0.733 3.491
78 H ILE 11 H ILE 11 -2.382 -1.687 4.831
79 HA ILE 11 HA ILE 11 -1.675 -4.309 3.706
80 HB ILE 11 HB ILE 11 -2.767 -5.279 5.715
81 HG12 ILE 11 2HG1 ILE 11 -2.862 -2.408 6.682
82 HG13 ILE 11 1HG1 ILE 11 -4.260 -3.366 6.213
83 HG21 ILE 11 1HG2 ILE 11 -0.494 -3.372 6.243
84 HG22 ILE 11 2HG2 ILE 11 -0.364 -5.035 5.670
85 HG23 ILE 11 3HG2 ILE 11 -0.963 -4.706 7.296
86 HD11 ILE 11 3HD1 ILE 11 -4.044 -3.253 8.614
87 HD12 ILE 11 1HD1 ILE 11 -2.413 -3.920 8.516
88 HD13 ILE 11 2HD1 ILE 11 -3.797 -4.906 8.048
89 H VAL 12 H VAL 12 -3.456 -5.858 3.532
90 HA VAL 12 HA VAL 12 -6.036 -4.624 3.136
91 HB VAL 12 HB VAL 12 -5.102 -4.738 0.890
92 HG11 VAL 12 1HG1 VAL 12 -4.619 -7.672 1.344
93 HG12 VAL 12 2HG1 VAL 12 -3.395 -6.415 1.158
94 HG13 VAL 12 3HG1 VAL 12 -4.441 -6.836 -0.199
95 HG21 VAL 12 3HG2 VAL 12 -6.771 -6.148 -0.253
96 HG22 VAL 12 1HG2 VAL 12 -7.476 -5.195 1.055
97 HG23 VAL 12 2HG2 VAL 12 -7.153 -6.912 1.291
98 HA PRO 13 HA PRO 13 -6.437 -8.192 5.945
99 HB2 PRO 13 2HB PRO 13 -8.788 -6.674 6.847
100 HB3 PRO 13 1HB PRO 13 -7.408 -7.252 7.784
101 HG2 PRO 13 2HG PRO 13 -7.750 -4.645 7.246
102 HG3 PRO 13 1HG PRO 13 -6.136 -5.376 7.314
103 HD2 PRO 13 2HD PRO 13 -7.802 -4.663 4.932
104 HD3 PRO 13 1HD PRO 13 -6.059 -4.441 5.205
105 H ILE 14 H ILE 14 -9.043 -6.519 4.238
106 HA ILE 14 HA ILE 14 -10.200 -9.095 3.523
107 HB ILE 14 HB ILE 14 -12.482 -8.249 3.913
108 HG12 ILE 14 2HG1 ILE 14 -11.172 -5.912 5.331
109 HG13 ILE 14 1HG1 ILE 14 -11.955 -5.825 3.759
110 HG21 ILE 14 1HG2 ILE 14 -11.470 -9.628 5.629
111 HG22 ILE 14 2HG2 ILE 14 -12.543 -8.422 6.348
112 HG23 ILE 14 3HG2 ILE 14 -10.795 -8.191 6.400
113 HD11 ILE 14 3HD1 ILE 14 -13.402 -4.981 5.507
114 HD12 ILE 14 1HD1 ILE 14 -13.285 -6.516 6.367
115 HD13 ILE 14 2HD1 ILE 14 -14.080 -6.444 4.795
116 H LEU 15 H LEU 15 -11.768 -8.785 1.744
117 HA LEU 15 HA LEU 15 -10.773 -6.941 -0.193
118 HB2 LEU 15 2HB LEU 15 -13.203 -8.725 -0.235
119 HB3 LEU 15 1HB LEU 15 -12.609 -7.816 -1.608
120 HG LEU 15 HG LEU 15 -11.092 -10.009 -0.206
121 HD11 LEU 15 1HD1 LEU 15 -13.012 -10.888 -1.360
122 HD12 LEU 15 2HD1 LEU 15 -11.538 -11.297 -2.242
123 HD13 LEU 15 3HD1 LEU 15 -12.577 -9.991 -2.811
124 HD21 LEU 15 3HD2 LEU 15 -9.586 -9.868 -2.144
125 HD22 LEU 15 1HD2 LEU 15 -9.604 -8.367 -1.218
126 HD23 LEU 15 2HD2 LEU 15 -10.492 -8.478 -2.737
127 H GLY 16 H GLY 16 -11.779 -5.169 -1.027
128 HA2 GLY 16 2HA GLY 16 -13.412 -3.498 -1.184
129 HA3 GLY 16 1HA GLY 16 -14.259 -4.225 0.181
130 H PHE 17 H PHE 17 -10.926 -3.953 0.591
131 HA PHE 17 HA PHE 17 -11.330 -1.870 2.567
132 HB2 PHE 17 2HB PHE 17 -10.039 -4.032 3.070
133 HB3 PHE 17 1HB PHE 17 -8.785 -3.435 1.994
134 HD1 PHE 17 1HD PHE 17 -10.692 -2.494 5.060
135 HD2 PHE 17 2HD PHE 17 -7.049 -2.134 2.875
136 HE1 PHE 17 1HE PHE 17 -9.682 -1.289 6.943
137 HE2 PHE 17 2HE PHE 17 -6.039 -0.932 4.752
138 HZ PHE 17 HZ PHE 17 -7.351 -0.501 6.795
139 H VAL 18 H VAL 18 -9.164 -0.372 2.591
140 HA VAL 18 HA VAL 18 -9.319 0.850 -0.047
141 HB VAL 18 HB VAL 18 -8.670 2.971 1.080
142 HG11 VAL 18 1HG1 VAL 18 -11.006 2.459 0.667
143 HG12 VAL 18 2HG1 VAL 18 -10.829 3.337 2.188
144 HG13 VAL 18 3HG1 VAL 18 -11.104 1.594 2.199
145 HG21 VAL 18 3HG2 VAL 18 -9.028 1.380 3.628
146 HG22 VAL 18 1HG2 VAL 18 -8.776 3.122 3.528
147 HG23 VAL 18 2HG2 VAL 18 -7.499 2.010 3.023
148 H TYR 19 H TYR 19 -7.547 1.768 -0.952
149 HA TYR 19 HA TYR 19 -4.988 0.660 -0.080
150 HB2 TYR 19 2HB TYR 19 -5.963 1.239 -2.888
151 HB3 TYR 19 1HB TYR 19 -4.353 0.666 -2.461
152 HD1 TYR 19 2HD TYR 19 -4.176 -1.562 -1.268
153 HD2 TYR 19 1HD TYR 19 -7.696 -0.312 -3.283
154 HE1 TYR 19 2HE TYR 19 -4.922 -3.875 -1.364
155 HE2 TYR 19 1HE TYR 19 -8.460 -2.624 -3.396
156 HH TYR 19 HH TYR 19 -7.484 -4.854 -3.346
157 H CYS 20 H CYS 20 -3.134 2.053 -0.911
158 HA CYS 20 HA CYS 20 -3.563 4.605 0.227
159 HB2 CYS 20 2HB CYS 20 -1.173 3.645 -1.375
160 HB3 CYS 20 1HB CYS 20 -1.233 5.053 -0.319
161 H CYS 21 H CYS 21 -3.703 6.557 -0.701
162 HA CYS 21 HA CYS 21 -4.964 6.939 -3.132
163 HB2 CYS 21 2HB CYS 21 -3.325 8.806 -1.451
164 HB3 CYS 21 1HB CYS 21 -4.278 9.349 -2.837
165 HA PRO 22 HA PRO 22 -2.114 6.827 -6.456
166 HB2 PRO 22 2HB PRO 22 -2.798 9.074 -7.884
167 HB3 PRO 22 1HB PRO 22 -3.732 7.570 -7.896
168 HG2 PRO 22 2HG PRO 22 -4.182 10.055 -6.290
169 HG3 PRO 22 1HG PRO 22 -5.362 9.078 -7.188
170 HD2 PRO 22 2HD PRO 22 -5.099 8.835 -4.540
171 HD3 PRO 22 1HD PRO 22 -5.394 7.407 -5.545
172 H GLY 23 H GLY 23 -0.099 7.556 -6.949
173 HA2 GLY 23 2HA GLY 23 1.610 9.176 -7.137
174 HA3 GLY 23 1HA GLY 23 0.729 10.196 -6.004
175 H LEU 24 H LEU 24 0.518 7.263 -4.698
176 HA LEU 24 HA LEU 24 2.955 7.684 -3.117
177 HB2 LEU 24 2HB LEU 24 0.640 6.029 -2.140
178 HB3 LEU 24 1HB LEU 24 1.906 6.796 -1.290
179 HG LEU 24 HG LEU 24 -0.170 8.475 -2.656
180 HD11 LEU 24 1HD1 LEU 24 -1.143 8.718 -0.370
181 HD12 LEU 24 2HD1 LEU 24 -0.126 7.326 0.094
182 HD13 LEU 24 3HD1 LEU 24 -1.358 7.151 -1.150
183 HD21 LEU 24 3HD2 LEU 24 0.634 10.179 -1.048
184 HD22 LEU 24 1HD2 LEU 24 1.916 9.623 -2.126
185 HD23 LEU 24 2HD2 LEU 24 1.835 9.036 -0.466
186 H ILE 25 H ILE 25 3.999 5.843 -2.486
187 HA ILE 25 HA ILE 25 3.322 3.419 -3.931
188 HB ILE 25 HB ILE 25 5.866 3.006 -4.148
189 HG12 ILE 25 2HG1 ILE 25 7.073 5.228 -4.714
190 HG13 ILE 25 1HG1 ILE 25 5.801 5.977 -3.762
191 HG21 ILE 25 1HG2 ILE 25 4.481 4.957 -5.950
192 HG22 ILE 25 2HG2 ILE 25 4.431 3.196 -6.044
193 HG23 ILE 25 3HG2 ILE 25 5.940 4.053 -6.355
194 HD11 ILE 25 3HD1 ILE 25 7.847 5.670 -2.467
195 HD12 ILE 25 1HD1 ILE 25 7.759 3.930 -2.740
196 HD13 ILE 25 2HD1 ILE 25 6.506 4.738 -1.799
197 H CYS 26 H CYS 26 3.802 1.548 -2.929
198 HA CYS 26 HA CYS 26 4.223 1.869 -0.064
199 HB2 CYS 26 2HB CYS 26 2.273 0.563 -1.079
200 HB3 CYS 26 1HB CYS 26 3.457 -0.671 -1.510
201 H GLY 27 H GLY 27 6.290 2.025 0.320
202 HA2 GLY 27 2HA GLY 27 8.163 0.437 -1.260
203 HA3 GLY 27 1HA GLY 27 8.589 1.787 -0.223
204 HA PRO 28 HA PRO 28 10.265 -1.039 2.699
205 HB2 PRO 28 2HB PRO 28 9.484 0.345 5.016
206 HB3 PRO 28 1HB PRO 28 10.990 0.586 4.125
207 HG2 PRO 28 2HG PRO 28 8.439 2.129 4.012
208 HG3 PRO 28 1HG PRO 28 10.108 2.710 3.880
209 HD2 PRO 28 2HD PRO 28 8.547 2.501 1.736
210 HD3 PRO 28 1HD PRO 28 10.273 2.085 1.644
211 H PHE 29 H PHE 29 7.170 0.257 3.694
212 HA PHE 29 HA PHE 29 5.955 -2.321 3.955
213 HB2 PHE 29 2HB PHE 29 7.224 -2.223 6.082
214 HB3 PHE 29 1HB PHE 29 6.501 -0.662 6.436
215 HD1 PHE 29 2HD PHE 29 4.162 -0.514 7.102
216 HD2 PHE 29 1HD PHE 29 6.036 -4.250 6.416
217 HE1 PHE 29 2HE PHE 29 2.334 -1.627 8.306
218 HE2 PHE 29 1HE PHE 29 4.215 -5.390 7.620
219 HZ PHE 29 HZ PHE 29 2.358 -4.082 8.569
220 H VAL 30 H VAL 30 6.055 1.096 4.580
221 HA VAL 30 HA VAL 30 3.159 1.287 4.435
222 HB VAL 30 HB VAL 30 3.500 3.579 5.308
223 HG11 VAL 30 1HG1 VAL 30 3.183 1.755 6.903
224 HG12 VAL 30 2HG1 VAL 30 4.262 2.989 7.556
225 HG13 VAL 30 3HG1 VAL 30 4.926 1.478 6.937
226 HG21 VAL 30 3HG2 VAL 30 5.694 4.051 4.350
227 HG22 VAL 30 1HG2 VAL 30 6.427 2.826 5.385
228 HG23 VAL 30 2HG2 VAL 30 5.733 4.275 6.100
229 H CYS 31 H CYS 31 2.471 3.345 3.300
230 HA CYS 31 HA CYS 31 3.797 3.546 0.721
231 HB2 CYS 31 2HB CYS 31 1.204 4.657 1.788
232 HB3 CYS 31 1HB CYS 31 1.777 4.883 0.131
233 H VAL 32 H VAL 32 4.258 5.619 -0.076
234 HA VAL 32 HA VAL 32 4.467 7.815 1.627
235 HB VAL 32 HB VAL 32 6.307 6.591 2.624
236 HG11 VAL 32 1HG1 VAL 32 6.842 5.063 0.804
237 HG12 VAL 32 2HG1 VAL 32 8.293 5.899 1.351
238 HG13 VAL 32 3HG1 VAL 32 7.500 6.396 -0.144
239 HG21 VAL 32 3HG2 VAL 32 7.277 8.826 0.848
240 HG22 VAL 32 1HG2 VAL 32 8.179 8.159 2.213
241 HG23 VAL 32 2HG2 VAL 32 6.639 8.950 2.491
Start of MODEL 7
1 H1 ARG 1 H ARG 1 -11.974 11.409 -1.594
2 HA ARG 1 HA ARG 1 -11.414 9.618 -3.809
3 HB2 ARG 1 2HB ARG 1 -9.304 10.925 -2.100
4 HB3 ARG 1 1HB ARG 1 -9.036 9.576 -3.181
5 HG2 ARG 1 2HG ARG 1 -9.950 12.297 -4.065
6 HG3 ARG 1 1HG ARG 1 -8.268 11.785 -4.023
7 HD2 ARG 1 2HD ARG 1 -9.009 11.525 -6.253
8 HD3 ARG 1 1HD ARG 1 -8.901 9.910 -5.573
9 HE ARG 1 HE ARG 1 -11.541 10.866 -5.306
10 HH11 ARG 1 1HH1 ARG 1 -9.288 9.686 -7.763
11 HH12 ARG 1 2HH1 ARG 1 -10.476 9.262 -8.886
12 HH21 ARG 1 1HH2 ARG 1 -13.193 10.254 -6.818
13 HH22 ARG 1 2HH2 ARG 1 -12.804 9.582 -8.332
14 H ASP 2 H ASP 2 -11.764 7.716 -3.184
15 HA ASP 2 HA ASP 2 -11.608 7.193 -0.345
16 HB2 ASP 2 2HB ASP 2 -12.867 5.172 -0.744
17 HB3 ASP 2 1HB ASP 2 -13.701 6.491 -1.532
18 H CYS 3 H CYS 3 -9.674 6.728 0.287
19 HA CYS 3 HA CYS 3 -8.183 4.534 -0.610
20 HB2 CYS 3 2HB CYS 3 -6.210 5.839 -1.442
21 HB3 CYS 3 1HB CYS 3 -7.591 5.907 -2.529
22 H GLN 4 H GLN 4 -5.862 4.842 0.427
23 HA GLN 4 HA GLN 4 -6.393 5.996 3.071
24 HB2 GLN 4 2HB GLN 4 -5.232 4.219 4.069
25 HB3 GLN 4 1HB GLN 4 -6.168 3.461 2.796
26 HG2 GLN 4 2HG GLN 4 -4.226 3.395 1.356
27 HG3 GLN 4 1HG GLN 4 -3.248 4.121 2.629
28 HE21 GLN 4 1HE2 GLN 4 -4.811 1.341 1.520
29 HE22 GLN 4 2HE2 GLN 4 -4.219 0.251 2.737
30 H GLU 5 H GLU 5 -4.692 6.956 4.081
31 HA GLU 5 HA GLU 5 -3.068 8.504 2.398
32 HB2 GLU 5 2HB GLU 5 -3.120 8.120 5.355
33 HB3 GLU 5 1HB GLU 5 -2.032 9.276 4.570
34 HG2 GLU 5 2HG GLU 5 -4.074 10.319 3.569
35 HG3 GLU 5 1HG GLU 5 -5.031 9.252 4.592
36 H LYS 6 H LYS 6 -0.679 8.726 3.009
37 HA LYS 6 HA LYS 6 0.291 6.296 1.970
38 HB2 LYS 6 2HB LYS 6 2.297 7.389 1.383
39 HB3 LYS 6 1HB LYS 6 0.998 8.545 1.198
40 HG2 LYS 6 2HG LYS 6 1.735 9.255 3.576
41 HG3 LYS 6 1HG LYS 6 3.259 8.539 3.102
42 HD2 LYS 6 2HD LYS 6 2.917 9.980 0.879
43 HD3 LYS 6 1HD LYS 6 1.784 10.827 1.965
44 HE2 LYS 6 2HE LYS 6 3.452 11.335 3.454
45 HE3 LYS 6 1HE LYS 6 4.676 10.460 2.520
46 HZ1 LYS 6 3HZ LYS 6 4.188 12.073 0.686
47 HZ2 LYS 6 1HZ LYS 6 4.841 12.790 2.068
48 HZ3 LYS 6 2HZ LYS 6 3.202 12.913 1.740
49 H TRP 7 H TRP 7 0.809 7.932 4.987
50 HA TRP 7 HA TRP 7 2.738 5.996 5.884
51 HB2 TRP 7 2HB TRP 7 1.403 8.268 7.336
52 HB3 TRP 7 1HB TRP 7 2.740 7.308 7.961
53 HD1 TRP 7 HD TRP 7 2.049 10.375 5.994
54 HE1 TRP 7 1HE TRP 7 4.175 11.280 4.979
55 HE3 TRP 7 3HE TRP 7 5.092 6.327 6.708
56 HZ2 TRP 7 2HZ TRP 7 6.809 10.443 4.505
57 HZ3 TRP 7 3HZ TRP 7 7.417 6.481 5.885
58 HH2 TRP 7 HH TRP 7 8.242 8.504 4.822
59 H GLU 8 H GLU 8 0.010 5.114 5.286
60 HA GLU 8 HA GLU 8 -1.049 4.303 7.848
61 HB2 GLU 8 2HB GLU 8 -1.909 3.806 5.016
62 HB3 GLU 8 1HB GLU 8 -2.709 3.078 6.394
63 HG2 GLU 8 2HG GLU 8 -2.484 6.006 5.768
64 HG3 GLU 8 1HG GLU 8 -3.916 4.968 5.659
65 H TYR 9 H TYR 9 -1.808 1.738 7.504
66 HA TYR 9 HA TYR 9 0.768 0.509 7.751
67 HB2 TYR 9 2HB TYR 9 -1.999 -0.582 8.250
68 HB3 TYR 9 1HB TYR 9 -0.522 -1.514 8.490
69 HD1 TYR 9 2HD TYR 9 1.242 -0.506 10.045
70 HD2 TYR 9 1HD TYR 9 -2.807 0.776 10.005
71 HE1 TYR 9 2HE TYR 9 1.540 0.461 12.272
72 HE2 TYR 9 1HE TYR 9 -2.521 1.756 12.238
73 HH TYR 9 HH TYR 9 0.535 2.177 13.670
74 H CYS 10 H CYS 10 -1.126 1.072 5.215
75 HA CYS 10 HA CYS 10 -1.278 0.363 3.097
76 HB2 CYS 10 2HB CYS 10 1.103 0.974 3.220
77 HB3 CYS 10 1HB CYS 10 1.516 -0.678 3.670
78 H ILE 11 H ILE 11 -2.862 -1.136 4.282
79 HA ILE 11 HA ILE 11 -2.150 -3.946 3.924
80 HB ILE 11 HB ILE 11 -4.739 -2.744 4.995
81 HG12 ILE 11 2HG1 ILE 11 -2.411 -3.862 6.576
82 HG13 ILE 11 1HG1 ILE 11 -2.732 -2.146 6.374
83 HG21 ILE 11 1HG2 ILE 11 -3.624 -5.542 5.185
84 HG22 ILE 11 2HG2 ILE 11 -4.976 -5.030 4.175
85 HG23 ILE 11 3HG2 ILE 11 -5.117 -4.977 5.933
86 HD11 ILE 11 3HD1 ILE 11 -4.533 -4.142 7.735
87 HD12 ILE 11 1HD1 ILE 11 -4.875 -2.424 7.527
88 HD13 ILE 11 2HD1 ILE 11 -3.517 -2.935 8.528
89 H VAL 12 H VAL 12 -2.962 -5.110 2.238
90 HA VAL 12 HA VAL 12 -4.652 -3.617 0.397
91 HB VAL 12 HB VAL 12 -3.491 -4.757 -1.483
92 HG11 VAL 12 1HG1 VAL 12 -2.811 -2.520 -0.847
93 HG12 VAL 12 2HG1 VAL 12 -1.413 -3.455 -1.380
94 HG13 VAL 12 3HG1 VAL 12 -1.686 -3.179 0.340
95 HG21 VAL 12 3HG2 VAL 12 -1.344 -5.883 -1.105
96 HG22 VAL 12 1HG2 VAL 12 -2.654 -6.735 -0.289
97 HG23 VAL 12 2HG2 VAL 12 -1.554 -5.712 0.636
98 HA PRO 13 HA PRO 13 -7.425 -7.058 0.611
99 HB2 PRO 13 2HB PRO 13 -8.714 -6.624 -1.784
100 HB3 PRO 13 1HB PRO 13 -9.094 -5.762 -0.293
101 HG2 PRO 13 2HG PRO 13 -7.448 -4.896 -2.619
102 HG3 PRO 13 1HG PRO 13 -8.560 -3.953 -1.614
103 HD2 PRO 13 2HD PRO 13 -5.875 -3.815 -1.337
104 HD3 PRO 13 1HD PRO 13 -6.989 -3.606 0.025
105 H ILE 14 H ILE 14 -5.654 -6.399 -2.396
106 HA ILE 14 HA ILE 14 -5.429 -9.297 -2.772
107 HB ILE 14 HB ILE 14 -5.400 -7.210 -4.987
108 HG12 ILE 14 2HG1 ILE 14 -7.592 -9.185 -4.271
109 HG13 ILE 14 1HG1 ILE 14 -7.653 -7.459 -3.943
110 HG21 ILE 14 1HG2 ILE 14 -4.075 -9.221 -5.468
111 HG22 ILE 14 2HG2 ILE 14 -5.514 -9.160 -6.486
112 HG23 ILE 14 3HG2 ILE 14 -5.466 -10.236 -5.089
113 HD11 ILE 14 3HD1 ILE 14 -7.536 -8.743 -6.666
114 HD12 ILE 14 1HD1 ILE 14 -7.596 -7.009 -6.348
115 HD13 ILE 14 2HD1 ILE 14 -8.960 -8.033 -5.904
116 H LEU 15 H LEU 15 -3.433 -9.951 -2.494
117 HA LEU 15 HA LEU 15 -1.277 -8.158 -2.074
118 HB2 LEU 15 2HB LEU 15 -1.514 -10.300 -0.877
119 HB3 LEU 15 1HB LEU 15 -1.266 -11.165 -2.375
120 HG LEU 15 HG LEU 15 1.034 -10.222 -2.491
121 HD11 LEU 15 1HD1 LEU 15 0.399 -9.177 0.260
122 HD12 LEU 15 2HD1 LEU 15 0.731 -8.215 -1.180
123 HD13 LEU 15 3HD1 LEU 15 1.999 -9.216 -0.477
124 HD21 LEU 15 3HD2 LEU 15 1.964 -11.645 -0.725
125 HD22 LEU 15 1HD2 LEU 15 0.648 -12.448 -1.583
126 HD23 LEU 15 2HD2 LEU 15 0.368 -11.759 0.017
127 H GLY 16 H GLY 16 0.386 -7.616 -3.354
128 HA2 GLY 16 2HA GLY 16 1.862 -7.977 -5.211
129 HA3 GLY 16 1HA GLY 16 0.529 -8.753 -6.062
130 H PHE 17 H PHE 17 -0.952 -6.392 -4.628
131 HA PHE 17 HA PHE 17 -0.348 -4.358 -6.656
132 HB2 PHE 17 2HB PHE 17 -3.059 -5.121 -5.523
133 HB3 PHE 17 1HB PHE 17 -2.760 -3.776 -6.612
134 HD1 PHE 17 2HD PHE 17 -2.202 -4.202 -8.975
135 HD2 PHE 17 1HD PHE 17 -3.186 -7.368 -6.313
136 HE1 PHE 17 2HE PHE 17 -2.576 -5.690 -10.890
137 HE2 PHE 17 1HE PHE 17 -3.564 -8.864 -8.226
138 HZ PHE 17 HZ PHE 17 -3.259 -8.028 -10.520
139 H VAL 18 H VAL 18 -0.778 -2.171 -5.863
140 HA VAL 18 HA VAL 18 -0.617 -2.085 -2.946
141 HB VAL 18 HB VAL 18 0.591 -0.196 -4.996
142 HG11 VAL 18 1HG1 VAL 18 1.512 1.049 -3.101
143 HG12 VAL 18 2HG1 VAL 18 0.611 0.016 -1.989
144 HG13 VAL 18 3HG1 VAL 18 -0.252 1.083 -3.096
145 HG21 VAL 18 3HG2 VAL 18 1.844 -2.263 -4.678
146 HG22 VAL 18 1HG2 VAL 18 1.851 -2.003 -2.935
147 HG23 VAL 18 2HG2 VAL 18 2.726 -0.898 -3.990
148 H TYR 19 H TYR 19 -2.156 -1.019 -1.890
149 HA TYR 19 HA TYR 19 -3.853 0.718 -3.476
150 HB2 TYR 19 2HB TYR 19 -5.148 -1.257 -2.957
151 HB3 TYR 19 1HB TYR 19 -4.723 -1.137 -1.252
152 HD1 TYR 19 2HD TYR 19 -6.228 1.058 -3.895
153 HD2 TYR 19 1HD TYR 19 -6.369 -0.276 0.146
154 HE1 TYR 19 2HE TYR 19 -8.163 2.486 -3.503
155 HE2 TYR 19 1HE TYR 19 -8.316 1.160 0.554
156 HH TYR 19 HH TYR 19 -10.062 2.614 -1.964
157 H CYS 20 H CYS 20 -3.273 2.642 -2.991
158 HA CYS 20 HA CYS 20 -4.048 3.726 -0.562
159 HB2 CYS 20 2HB CYS 20 -1.837 4.872 -0.015
160 HB3 CYS 20 1HB CYS 20 -1.845 3.155 0.320
161 H CYS 21 H CYS 21 -3.664 6.165 -0.705
162 HA CYS 21 HA CYS 21 -4.977 7.067 -2.957
163 HB2 CYS 21 2HB CYS 21 -3.190 8.583 -1.070
164 HB3 CYS 21 1HB CYS 21 -4.231 9.364 -2.271
165 HA PRO 22 HA PRO 22 -2.369 7.277 -6.440
166 HB2 PRO 22 2HB PRO 22 -3.066 9.676 -7.557
167 HB3 PRO 22 1HB PRO 22 -4.032 8.205 -7.680
168 HG2 PRO 22 2HG PRO 22 -4.354 10.525 -5.824
169 HG3 PRO 22 1HG PRO 22 -5.598 9.615 -6.699
170 HD2 PRO 22 2HD PRO 22 -5.116 9.205 -4.102
171 HD3 PRO 22 1HD PRO 22 -5.557 7.863 -5.163
172 H GLY 23 H GLY 23 -0.315 7.700 -6.760
173 HA2 GLY 23 2HA GLY 23 1.485 9.189 -7.091
174 HA3 GLY 23 1HA GLY 23 0.741 10.307 -5.952
175 H LEU 24 H LEU 24 0.435 7.305 -4.666
176 HA LEU 24 HA LEU 24 2.847 7.740 -3.049
177 HB2 LEU 24 2HB LEU 24 0.536 6.029 -2.193
178 HB3 LEU 24 1HB LEU 24 1.819 6.743 -1.285
179 HG LEU 24 HG LEU 24 -0.297 8.426 -2.562
180 HD11 LEU 24 1HD1 LEU 24 -1.367 7.035 -1.003
181 HD12 LEU 24 2HD1 LEU 24 -1.121 8.603 -0.191
182 HD13 LEU 24 3HD1 LEU 24 -0.048 7.226 0.133
183 HD21 LEU 24 3HD2 LEU 24 0.572 10.106 -0.928
184 HD22 LEU 24 1HD2 LEU 24 1.748 9.612 -2.147
185 HD23 LEU 24 2HD2 LEU 24 1.860 8.972 -0.520
186 H ILE 25 H ILE 25 4.072 6.045 -2.531
187 HA ILE 25 HA ILE 25 3.641 3.551 -4.026
188 HB ILE 25 HB ILE 25 6.200 3.403 -4.176
189 HG12 ILE 25 2HG1 ILE 25 5.943 6.384 -3.666
190 HG13 ILE 25 1HG1 ILE 25 6.707 5.232 -2.585
191 HG21 ILE 25 1HG2 ILE 25 4.827 3.743 -6.125
192 HG22 ILE 25 2HG2 ILE 25 6.272 4.750 -6.239
193 HG23 ILE 25 3HG2 ILE 25 4.726 5.471 -5.790
194 HD11 ILE 25 3HD1 ILE 25 8.346 6.517 -3.836
195 HD12 ILE 25 1HD1 ILE 25 7.641 5.962 -5.352
196 HD13 ILE 25 2HD1 ILE 25 8.429 4.811 -4.274
197 H CYS 26 H CYS 26 3.856 1.703 -2.903
198 HA CYS 26 HA CYS 26 4.520 1.958 -0.047
199 HB2 CYS 26 2HB CYS 26 2.287 0.962 -0.817
200 HB3 CYS 26 1HB CYS 26 3.211 -0.400 -1.429
201 H GLY 27 H GLY 27 6.588 1.723 0.200
202 HA2 GLY 27 2HA GLY 27 7.997 -0.311 -1.386
203 HA3 GLY 27 1HA GLY 27 8.751 1.090 -0.646
204 HA PRO 28 HA PRO 28 9.910 -1.319 2.789
205 HB2 PRO 28 2HB PRO 28 9.316 0.244 4.981
206 HB3 PRO 28 1HB PRO 28 10.735 0.477 3.958
207 HG2 PRO 28 2HG PRO 28 8.142 1.951 3.969
208 HG3 PRO 28 1HG PRO 28 9.777 2.562 3.671
209 HD2 PRO 28 2HD PRO 28 7.975 2.096 1.683
210 HD3 PRO 28 1HD PRO 28 9.729 1.962 1.458
211 H PHE 29 H PHE 29 7.298 0.245 4.561
212 HA PHE 29 HA PHE 29 5.723 -2.228 4.432
213 HB2 PHE 29 2HB PHE 29 6.356 -0.685 6.973
214 HB3 PHE 29 1HB PHE 29 5.256 -2.046 6.858
215 HD1 PHE 29 2HD PHE 29 6.153 -4.317 6.417
216 HD2 PHE 29 1HD PHE 29 8.711 -0.997 7.135
217 HE1 PHE 29 2HE PHE 29 8.008 -5.855 6.880
218 HE2 PHE 29 1HE PHE 29 10.576 -2.528 7.597
219 HZ PHE 29 HZ PHE 29 10.227 -4.965 7.471
220 H VAL 30 H VAL 30 5.879 0.959 3.805
221 HA VAL 30 HA VAL 30 3.041 1.431 4.209
222 HB VAL 30 HB VAL 30 3.454 3.696 5.092
223 HG11 VAL 30 1HG1 VAL 30 3.085 1.962 6.740
224 HG12 VAL 30 2HG1 VAL 30 4.236 3.151 7.354
225 HG13 VAL 30 3HG1 VAL 30 4.808 1.590 6.766
226 HG21 VAL 30 3HG2 VAL 30 5.638 4.141 4.130
227 HG22 VAL 30 1HG2 VAL 30 6.367 2.905 5.156
228 HG23 VAL 30 2HG2 VAL 30 5.701 4.366 5.879
229 H CYS 31 H CYS 31 2.477 3.515 3.048
230 HA CYS 31 HA CYS 31 3.890 3.719 0.502
231 HB2 CYS 31 2HB CYS 31 1.232 4.734 1.513
232 HB3 CYS 31 1HB CYS 31 1.888 5.225 -0.050
233 H VAL 32 H VAL 32 4.198 5.988 -0.272
234 HA VAL 32 HA VAL 32 4.413 8.118 1.523
235 HB VAL 32 HB VAL 32 6.355 6.905 2.381
236 HG11 VAL 32 1HG1 VAL 32 7.409 6.954 -0.450
237 HG12 VAL 32 2HG1 VAL 32 6.885 5.531 0.451
238 HG13 VAL 32 3HG1 VAL 32 8.318 6.422 0.967
239 HG21 VAL 32 3HG2 VAL 32 7.176 9.265 0.694
240 HG22 VAL 32 1HG2 VAL 32 8.104 8.584 2.035
241 HG23 VAL 32 2HG2 VAL 32 6.529 9.300 2.342
Start of MODEL 8
1 H1 ARG 1 H ARG 1 -12.781 7.895 -4.520
2 HA ARG 1 HA ARG 1 -13.950 5.471 -3.806
3 HB2 ARG 1 2HB ARG 1 -11.214 5.351 -5.014
4 HB3 ARG 1 1HB ARG 1 -11.914 4.097 -4.003
5 HG2 ARG 1 2HG ARG 1 -13.709 3.856 -5.709
6 HG3 ARG 1 1HG ARG 1 -12.796 4.967 -6.738
7 HD2 ARG 1 2HD ARG 1 -12.247 2.649 -7.281
8 HD3 ARG 1 1HD ARG 1 -10.856 3.499 -6.604
9 HE ARG 1 HE ARG 1 -12.513 2.004 -4.757
10 HH11 ARG 1 1HH1 ARG 1 -9.546 2.009 -6.682
11 HH12 ARG 1 2HH1 ARG 1 -8.739 0.867 -5.713
12 HH21 ARG 1 1HH2 ARG 1 -11.438 0.483 -3.425
13 HH22 ARG 1 2HH2 ARG 1 -9.855 -0.036 -3.790
14 H ASP 2 H ASP 2 -12.893 4.549 -2.019
15 HA ASP 2 HA ASP 2 -11.934 6.660 -0.283
16 HB2 ASP 2 2HB ASP 2 -12.740 3.806 0.331
17 HB3 ASP 2 1HB ASP 2 -12.283 5.029 1.502
18 H CYS 3 H CYS 3 -9.787 6.921 -0.471
19 HA CYS 3 HA CYS 3 -8.147 4.492 -0.354
20 HB2 CYS 3 2HB CYS 3 -6.342 5.804 -1.398
21 HB3 CYS 3 1HB CYS 3 -7.753 5.686 -2.437
22 H GLN 4 H GLN 4 -5.914 5.051 0.652
23 HA GLN 4 HA GLN 4 -6.457 6.596 3.118
24 HB2 GLN 4 2HB GLN 4 -5.383 4.900 4.401
25 HB3 GLN 4 1HB GLN 4 -6.422 4.089 3.237
26 HG2 GLN 4 2HG GLN 4 -4.604 3.581 1.819
27 HG3 GLN 4 1HG GLN 4 -3.467 4.384 2.911
28 HE21 GLN 4 1HE2 GLN 4 -3.461 1.721 2.005
29 HE22 GLN 4 2HE2 GLN 4 -3.691 0.662 3.339
30 H GLU 5 H GLU 5 -4.560 7.330 4.185
31 HA GLU 5 HA GLU 5 -2.919 8.762 2.394
32 HB2 GLU 5 2HB GLU 5 -2.930 8.406 5.341
33 HB3 GLU 5 1HB GLU 5 -1.744 9.460 4.542
34 HG2 GLU 5 2HG GLU 5 -3.680 10.731 3.615
35 HG3 GLU 5 1HG GLU 5 -4.743 9.703 4.570
36 H LYS 6 H LYS 6 -0.453 8.803 3.009
37 HA LYS 6 HA LYS 6 0.323 6.336 1.906
38 HB2 LYS 6 2HB LYS 6 2.453 7.268 1.454
39 HB3 LYS 6 1HB LYS 6 1.228 8.480 1.156
40 HG2 LYS 6 2HG LYS 6 1.878 9.122 3.627
41 HG3 LYS 6 1HG LYS 6 3.411 8.441 3.130
42 HD2 LYS 6 2HD LYS 6 3.048 9.952 0.956
43 HD3 LYS 6 1HD LYS 6 1.869 10.702 2.063
44 HE2 LYS 6 2HE LYS 6 3.506 11.245 3.579
45 HE3 LYS 6 1HE LYS 6 4.778 10.505 2.590
46 HZ1 LYS 6 3HZ LYS 6 4.655 12.917 2.303
47 HZ2 LYS 6 1HZ LYS 6 3.057 12.798 1.828
48 HZ3 LYS 6 2HZ LYS 6 4.274 12.147 0.858
49 H TRP 7 H TRP 7 0.974 7.795 5.019
50 HA TRP 7 HA TRP 7 2.822 5.700 5.757
51 HB2 TRP 7 2HB TRP 7 1.621 7.889 7.450
52 HB3 TRP 7 1HB TRP 7 2.994 6.877 7.880
53 HD1 TRP 7 HD TRP 7 2.097 10.055 6.079
54 HE1 TRP 7 1HE TRP 7 4.195 11.124 5.133
55 HE3 TRP 7 3HE TRP 7 5.361 6.174 6.675
56 HZ2 TRP 7 2HZ TRP 7 6.878 10.464 4.673
57 HZ3 TRP 7 3HZ TRP 7 7.677 6.476 5.912
58 HH2 TRP 7 HH TRP 7 8.418 8.584 4.939
59 H GLU 8 H GLU 8 -0.016 5.085 5.190
60 HA GLU 8 HA GLU 8 -1.117 4.242 7.745
61 HB2 GLU 8 2HB GLU 8 -2.159 4.056 4.931
62 HB3 GLU 8 1HB GLU 8 -3.020 3.453 6.337
63 HG2 GLU 8 2HG GLU 8 -2.228 6.306 5.846
64 HG3 GLU 8 1HG GLU 8 -3.841 5.630 5.638
65 H TYR 9 H TYR 9 -2.384 1.881 6.913
66 HA TYR 9 HA TYR 9 -0.364 -0.004 7.410
67 HB2 TYR 9 2HB TYR 9 -3.200 -0.394 6.458
68 HB3 TYR 9 1HB TYR 9 -2.130 -1.710 6.919
69 HD1 TYR 9 2HD TYR 9 -1.542 -2.071 9.261
70 HD2 TYR 9 1HD TYR 9 -4.160 1.083 8.127
71 HE1 TYR 9 2HE TYR 9 -2.243 -1.825 11.590
72 HE2 TYR 9 1HE TYR 9 -4.868 1.342 10.452
73 HH TYR 9 HH TYR 9 -3.230 -0.090 13.038
74 H CYS 10 H CYS 10 -1.600 1.273 4.452
75 HA CYS 10 HA CYS 10 -1.154 0.961 2.285
76 HB2 CYS 10 2HB CYS 10 1.174 1.127 2.744
77 HB3 CYS 10 1HB CYS 10 1.268 -0.522 3.356
78 H ILE 11 H ILE 11 -0.251 -2.230 3.581
79 HA ILE 11 HA ILE 11 -2.597 -3.358 2.346
80 HB ILE 11 HB ILE 11 -1.329 -5.332 1.518
81 HG12 ILE 11 2HG1 ILE 11 1.168 -3.684 1.997
82 HG13 ILE 11 1HG1 ILE 11 0.672 -5.070 2.962
83 HG21 ILE 11 1HG2 ILE 11 -0.377 -4.337 -0.508
84 HG22 ILE 11 2HG2 ILE 11 -0.474 -2.744 0.243
85 HG23 ILE 11 3HG2 ILE 11 -1.949 -3.653 -0.091
86 HD11 ILE 11 3HD1 ILE 11 0.893 -6.509 0.999
87 HD12 ILE 11 1HD1 ILE 11 2.404 -5.676 1.362
88 HD13 ILE 11 2HD1 ILE 11 1.385 -5.118 0.035
89 H VAL 12 H VAL 12 -3.259 -5.244 3.429
90 HA VAL 12 HA VAL 12 -1.792 -6.099 5.751
91 HB VAL 12 HB VAL 12 -2.997 -4.042 6.505
92 HG11 VAL 12 1HG1 VAL 12 -5.435 -3.992 6.702
93 HG12 VAL 12 2HG1 VAL 12 -5.513 -5.486 5.765
94 HG13 VAL 12 3HG1 VAL 12 -4.867 -4.020 5.030
95 HG21 VAL 12 3HG2 VAL 12 -4.081 -6.577 7.727
96 HG22 VAL 12 1HG2 VAL 12 -4.162 -4.981 8.471
97 HG23 VAL 12 2HG2 VAL 12 -2.598 -5.734 8.178
98 HA PRO 13 HA PRO 13 -3.940 -9.825 4.414
99 HB2 PRO 13 2HB PRO 13 -3.826 -11.275 6.746
100 HB3 PRO 13 1HB PRO 13 -2.480 -11.122 5.613
101 HG2 PRO 13 2HG PRO 13 -3.006 -9.634 8.147
102 HG3 PRO 13 1HG PRO 13 -1.477 -10.287 7.535
103 HD2 PRO 13 2HD PRO 13 -2.077 -7.676 7.360
104 HD3 PRO 13 1HD PRO 13 -1.158 -8.506 6.090
105 H ILE 14 H ILE 14 -5.745 -8.042 4.664
106 HA ILE 14 HA ILE 14 -8.004 -9.350 5.997
107 HB ILE 14 HB ILE 14 -7.489 -6.343 5.869
108 HG12 ILE 14 2HG1 ILE 14 -7.725 -8.136 8.301
109 HG13 ILE 14 1HG1 ILE 14 -6.227 -7.450 7.686
110 HG21 ILE 14 1HG2 ILE 14 -9.894 -7.795 6.961
111 HG22 ILE 14 2HG2 ILE 14 -9.837 -6.835 5.486
112 HG23 ILE 14 3HG2 ILE 14 -9.612 -6.057 7.054
113 HD11 ILE 14 3HD1 ILE 14 -7.057 -5.207 8.187
114 HD12 ILE 14 1HD1 ILE 14 -7.051 -6.229 9.624
115 HD13 ILE 14 2HD1 ILE 14 -8.566 -5.898 8.783
116 H LEU 15 H LEU 15 -9.381 -9.850 4.341
117 HA LEU 15 HA LEU 15 -8.954 -8.606 1.813
118 HB2 LEU 15 2HB LEU 15 -10.774 -9.942 0.897
119 HB3 LEU 15 1HB LEU 15 -9.652 -10.947 1.775
120 HG LEU 15 HG LEU 15 -12.325 -10.069 2.893
121 HD11 LEU 15 1HD1 LEU 15 -12.666 -11.346 0.838
122 HD12 LEU 15 2HD1 LEU 15 -13.128 -12.298 2.248
123 HD13 LEU 15 3HD1 LEU 15 -11.594 -12.610 1.437
124 HD21 LEU 15 3HD2 LEU 15 -10.413 -12.283 3.650
125 HD22 LEU 15 1HD2 LEU 15 -12.007 -12.030 4.357
126 HD23 LEU 15 2HD2 LEU 15 -10.753 -10.824 4.586
127 H GLY 16 H GLY 16 -10.150 -7.167 0.728
128 HA2 GLY 16 2HA GLY 16 -11.682 -5.489 0.441
129 HA3 GLY 16 1HA GLY 16 -12.461 -5.971 1.947
130 H PHE 17 H PHE 17 -9.041 -5.292 1.651
131 HA PHE 17 HA PHE 17 -9.320 -3.308 3.728
132 HB2 PHE 17 2HB PHE 17 -6.900 -3.293 3.889
133 HB3 PHE 17 1HB PHE 17 -7.450 -4.955 3.817
134 HD1 PHE 17 2HD PHE 17 -7.024 -6.292 1.774
135 HD2 PHE 17 1HD PHE 17 -5.489 -2.356 2.215
136 HE1 PHE 17 2HE PHE 17 -5.416 -6.703 -0.052
137 HE2 PHE 17 1HE PHE 17 -3.898 -2.758 0.418
138 HZ PHE 17 HZ PHE 17 -3.855 -4.939 -0.732
139 H VAL 18 H VAL 18 -7.770 -1.301 3.430
140 HA VAL 18 HA VAL 18 -8.659 -0.039 0.950
141 HB VAL 18 HB VAL 18 -7.661 1.244 3.522
142 HG11 VAL 18 1HG1 VAL 18 -9.044 2.475 1.146
143 HG12 VAL 18 2HG1 VAL 18 -7.346 2.663 1.578
144 HG13 VAL 18 3HG1 VAL 18 -8.601 3.317 2.631
145 HG21 VAL 18 3HG2 VAL 18 -10.000 1.840 3.971
146 HG22 VAL 18 1HG2 VAL 18 -9.758 0.092 3.943
147 HG23 VAL 18 2HG2 VAL 18 -10.500 0.902 2.563
148 H TYR 19 H TYR 19 -7.120 0.908 -0.355
149 HA TYR 19 HA TYR 19 -4.334 0.333 0.332
150 HB2 TYR 19 2HB TYR 19 -5.230 -0.812 -1.725
151 HB3 TYR 19 1HB TYR 19 -5.527 0.769 -2.431
152 HD1 TYR 19 2HD TYR 19 -2.790 -1.375 -1.072
153 HD2 TYR 19 1HD TYR 19 -3.832 1.809 -3.702
154 HE1 TYR 19 2HE TYR 19 -0.508 -1.368 -1.955
155 HE2 TYR 19 1HE TYR 19 -1.554 1.829 -4.587
156 HH TYR 19 HH TYR 19 0.693 -0.666 -3.961
157 H CYS 20 H CYS 20 -2.779 1.981 -0.546
158 HA CYS 20 HA CYS 20 -3.459 4.499 0.531
159 HB2 CYS 20 2HB CYS 20 -1.116 3.815 -1.254
160 HB3 CYS 20 1HB CYS 20 -1.248 5.184 -0.157
161 H CYS 21 H CYS 21 -3.679 6.459 -0.498
162 HA CYS 21 HA CYS 21 -5.053 6.643 -2.903
163 HB2 CYS 21 2HB CYS 21 -3.451 8.694 -1.381
164 HB3 CYS 21 1HB CYS 21 -4.538 9.100 -2.712
165 HA PRO 22 HA PRO 22 -2.006 6.461 -6.086
166 HB2 PRO 22 2HB PRO 22 -2.898 8.387 -7.808
167 HB3 PRO 22 1HB PRO 22 -3.652 6.796 -7.636
168 HG2 PRO 22 2HG PRO 22 -4.448 9.405 -6.415
169 HG3 PRO 22 1HG PRO 22 -5.478 8.162 -7.155
170 HD2 PRO 22 2HD PRO 22 -5.165 8.406 -4.466
171 HD3 PRO 22 1HD PRO 22 -5.407 6.824 -5.246
172 H GLY 23 H GLY 23 -0.195 7.486 -6.897
173 HA2 GLY 23 2HA GLY 23 1.244 9.355 -7.251
174 HA3 GLY 23 1HA GLY 23 0.408 10.196 -5.945
175 H LEU 24 H LEU 24 0.590 7.313 -4.733
176 HA LEU 24 HA LEU 24 3.096 7.893 -3.300
177 HB2 LEU 24 2HB LEU 24 0.909 6.105 -2.271
178 HB3 LEU 24 1HB LEU 24 2.190 6.896 -1.447
179 HG LEU 24 HG LEU 24 0.019 8.521 -2.704
180 HD11 LEU 24 1HD1 LEU 24 0.175 7.243 -0.025
181 HD12 LEU 24 2HD1 LEU 24 -1.137 7.165 -1.233
182 HD13 LEU 24 3HD1 LEU 24 -0.841 8.652 -0.339
183 HD21 LEU 24 3HD2 LEU 24 0.810 10.189 -1.028
184 HD22 LEU 24 1HD2 LEU 24 2.044 9.741 -2.204
185 HD23 LEU 24 2HD2 LEU 24 2.095 9.080 -0.574
186 H ILE 25 H ILE 25 4.321 6.089 -2.684
187 HA ILE 25 HA ILE 25 3.776 3.638 -4.160
188 HB ILE 25 HB ILE 25 6.228 3.277 -4.358
189 HG12 ILE 25 2HG1 ILE 25 6.899 4.973 -2.575
190 HG13 ILE 25 1HG1 ILE 25 7.858 4.986 -4.037
191 HG21 ILE 25 1HG2 ILE 25 5.009 3.963 -6.287
192 HG22 ILE 25 2HG2 ILE 25 6.592 4.741 -6.291
193 HG23 ILE 25 3HG2 ILE 25 5.160 5.659 -5.830
194 HD11 ILE 25 3HD1 ILE 25 7.442 7.224 -3.209
195 HD12 ILE 25 1HD1 ILE 25 5.703 6.968 -3.326
196 HD13 ILE 25 2HD1 ILE 25 6.688 6.995 -4.787
197 H CYS 26 H CYS 26 4.234 1.757 -3.064
198 HA CYS 26 HA CYS 26 4.607 2.135 -0.182
199 HB2 CYS 26 2HB CYS 26 2.569 0.881 -1.173
200 HB3 CYS 26 1HB CYS 26 3.713 -0.396 -1.564
201 H GLY 27 H GLY 27 6.659 2.205 0.186
202 HA2 GLY 27 2HA GLY 27 8.518 0.599 -1.351
203 HA3 GLY 27 1HA GLY 27 8.931 1.810 -0.145
204 HA PRO 28 HA PRO 28 9.747 -1.476 2.602
205 HB2 PRO 28 2HB PRO 28 9.292 -0.275 5.032
206 HB3 PRO 28 1HB PRO 28 10.744 -0.025 4.064
207 HG2 PRO 28 2HG PRO 28 8.377 1.746 4.388
208 HG3 PRO 28 1HG PRO 28 10.074 2.168 4.127
209 HD2 PRO 28 2HD PRO 28 8.103 2.217 2.199
210 HD3 PRO 28 1HD PRO 28 9.840 2.103 1.870
211 H PHE 29 H PHE 29 7.351 -0.072 4.773
212 HA PHE 29 HA PHE 29 5.647 -2.397 4.222
213 HB2 PHE 29 2HB PHE 29 6.061 -1.005 6.890
214 HB3 PHE 29 1HB PHE 29 4.986 -2.356 6.589
215 HD1 PHE 29 2HD PHE 29 5.863 -4.571 6.184
216 HD2 PHE 29 1HD PHE 29 8.445 -1.326 7.078
217 HE1 PHE 29 2HE PHE 29 7.686 -6.156 6.662
218 HE2 PHE 29 1HE PHE 29 10.268 -2.899 7.553
219 HZ PHE 29 HZ PHE 29 9.892 -5.315 7.346
220 H VAL 30 H VAL 30 5.903 0.968 4.337
221 HA VAL 30 HA VAL 30 3.001 1.235 4.129
222 HB VAL 30 HB VAL 30 3.126 3.421 5.193
223 HG11 VAL 30 1HG1 VAL 30 3.713 2.775 7.495
224 HG12 VAL 30 2HG1 VAL 30 4.428 1.284 6.870
225 HG13 VAL 30 3HG1 VAL 30 2.700 1.592 6.673
226 HG21 VAL 30 3HG2 VAL 30 5.229 4.178 6.310
227 HG22 VAL 30 1HG2 VAL 30 5.326 4.159 4.545
228 HG23 VAL 30 2HG2 VAL 30 6.079 2.876 5.476
229 H CYS 31 H CYS 31 2.552 3.491 3.117
230 HA CYS 31 HA CYS 31 4.060 3.696 0.616
231 HB2 CYS 31 2HB CYS 31 1.456 4.879 1.533
232 HB3 CYS 31 1HB CYS 31 2.126 5.025 -0.094
233 H VAL 32 H VAL 32 4.421 5.856 -0.160
234 HA VAL 32 HA VAL 32 4.562 8.025 1.585
235 HB VAL 32 HB VAL 32 6.517 6.862 2.481
236 HG11 VAL 32 1HG1 VAL 32 8.503 6.402 1.085
237 HG12 VAL 32 2HG1 VAL 32 7.594 6.888 -0.346
238 HG13 VAL 32 3HG1 VAL 32 7.101 5.465 0.569
239 HG21 VAL 32 3HG2 VAL 32 6.637 9.257 2.433
240 HG22 VAL 32 1HG2 VAL 32 7.242 9.241 0.776
241 HG23 VAL 32 2HG2 VAL 32 8.233 8.601 2.086
Start of MODEL 9
1 H1 ARG 1 H ARG 1 -11.493 11.607 -2.472
2 HA ARG 1 HA ARG 1 -12.733 9.550 -4.015
3 HB2 ARG 1 2HB ARG 1 -9.738 9.905 -4.159
4 HB3 ARG 1 1HB ARG 1 -10.634 8.521 -4.753
5 HG2 ARG 1 2HG ARG 1 -10.827 11.333 -5.807
6 HG3 ARG 1 1HG ARG 1 -9.973 9.992 -6.567
7 HD2 ARG 1 2HD ARG 1 -12.936 10.157 -6.045
8 HD3 ARG 1 1HD ARG 1 -12.139 10.356 -7.603
9 HE ARG 1 HE ARG 1 -11.313 7.947 -7.000
10 HH11 ARG 1 1HH1 ARG 1 -14.581 9.311 -6.703
11 HH12 ARG 1 2HH1 ARG 1 -15.365 7.811 -6.845
12 HH21 ARG 1 1HH2 ARG 1 -12.386 5.908 -7.221
13 HH22 ARG 1 2HH2 ARG 1 -14.082 5.801 -7.116
14 H ASP 2 H ASP 2 -12.651 7.593 -2.912
15 HA ASP 2 HA ASP 2 -11.701 7.770 -0.193
16 HB2 ASP 2 2HB ASP 2 -13.906 6.761 -0.532
17 HB3 ASP 2 1HB ASP 2 -13.208 5.553 -1.605
18 H CYS 3 H CYS 3 -9.702 7.469 0.098
19 HA CYS 3 HA CYS 3 -8.456 4.993 -0.584
20 HB2 CYS 3 2HB CYS 3 -6.467 6.110 -1.615
21 HB3 CYS 3 1HB CYS 3 -7.908 6.240 -2.612
22 H GLN 4 H GLN 4 -6.048 5.223 0.411
23 HA GLN 4 HA GLN 4 -6.478 6.669 2.919
24 HB2 GLN 4 2HB GLN 4 -5.646 4.856 4.163
25 HB3 GLN 4 1HB GLN 4 -6.661 4.145 2.915
26 HG2 GLN 4 2HG GLN 4 -4.826 3.470 1.638
27 HG3 GLN 4 1HG GLN 4 -3.687 4.292 2.718
28 HE21 GLN 4 1HE2 GLN 4 -3.760 1.600 2.008
29 HE22 GLN 4 2HE2 GLN 4 -4.015 0.667 3.469
30 H GLU 5 H GLU 5 -4.538 7.258 3.993
31 HA GLU 5 HA GLU 5 -2.838 8.498 2.101
32 HB2 GLU 5 2HB GLU 5 -2.999 8.581 5.064
33 HB3 GLU 5 1HB GLU 5 -1.763 9.471 4.163
34 HG2 GLU 5 2HG GLU 5 -3.555 10.625 2.940
35 HG3 GLU 5 1HG GLU 5 -4.743 9.755 3.902
36 H LYS 6 H LYS 6 -0.457 8.695 3.014
37 HA LYS 6 HA LYS 6 0.606 6.336 1.959
38 HB2 LYS 6 2HB LYS 6 2.805 7.506 2.171
39 HB3 LYS 6 1HB LYS 6 1.587 8.388 1.258
40 HG2 LYS 6 2HG LYS 6 1.037 9.513 3.358
41 HG3 LYS 6 1HG LYS 6 2.532 8.912 4.063
42 HD2 LYS 6 2HD LYS 6 2.286 10.680 1.610
43 HD3 LYS 6 1HD LYS 6 2.687 11.262 3.224
44 HE2 LYS 6 2HE LYS 6 4.720 9.736 3.099
45 HE3 LYS 6 1HE LYS 6 4.268 9.510 1.401
46 HZ1 LYS 6 3HZ LYS 6 5.937 11.222 1.675
47 HZ2 LYS 6 1HZ LYS 6 4.871 12.140 2.602
48 HZ3 LYS 6 2HZ LYS 6 4.527 11.811 0.989
49 H TRP 7 H TRP 7 0.903 7.810 5.153
50 HA TRP 7 HA TRP 7 2.685 5.718 6.009
51 HB2 TRP 7 2HB TRP 7 1.553 8.058 7.534
52 HB3 TRP 7 1HB TRP 7 2.748 6.929 8.164
53 HD1 TRP 7 HD TRP 7 2.523 10.143 6.381
54 HE1 TRP 7 1HE TRP 7 4.819 10.811 5.420
55 HE3 TRP 7 3HE TRP 7 4.979 5.715 6.905
56 HZ2 TRP 7 2HZ TRP 7 7.297 9.657 4.949
57 HZ3 TRP 7 3HZ TRP 7 7.318 5.585 6.153
58 HH2 TRP 7 HH TRP 7 8.446 7.519 5.201
59 H GLU 8 H GLU 8 -0.097 5.022 5.359
60 HA GLU 8 HA GLU 8 -1.168 4.152 7.915
61 HB2 GLU 8 2HB GLU 8 -2.094 3.691 5.071
62 HB3 GLU 8 1HB GLU 8 -2.911 3.039 6.482
63 HG2 GLU 8 2HG GLU 8 -2.511 5.952 5.865
64 HG3 GLU 8 1HG GLU 8 -4.009 5.042 5.666
65 H TYR 9 H TYR 9 -2.023 1.550 7.320
66 HA TYR 9 HA TYR 9 0.449 0.200 7.731
67 HB2 TYR 9 2HB TYR 9 -2.378 -0.810 7.469
68 HB3 TYR 9 1HB TYR 9 -1.008 -1.889 7.638
69 HD1 TYR 9 2HD TYR 9 -3.002 0.725 9.335
70 HD2 TYR 9 1HD TYR 9 0.051 -2.210 9.735
71 HE1 TYR 9 2HE TYR 9 -3.150 0.912 11.766
72 HE2 TYR 9 1HE TYR 9 -0.091 -2.040 12.163
73 HH TYR 9 HH TYR 9 -0.818 -0.390 13.842
74 H CYS 10 H CYS 10 -1.541 0.806 5.022
75 HA CYS 10 HA CYS 10 -1.354 0.435 2.805
76 HB2 CYS 10 2HB CYS 10 1.003 1.063 2.943
77 HB3 CYS 10 1HB CYS 10 1.450 -0.550 3.488
78 H ILE 11 H ILE 11 -2.715 -1.022 2.089
79 HA ILE 11 HA ILE 11 -2.235 -3.798 2.889
80 HB ILE 11 HB ILE 11 -4.669 -4.168 2.751
81 HG12 ILE 11 2HG1 ILE 11 -4.847 -1.156 2.428
82 HG13 ILE 11 1HG1 ILE 11 -5.184 -2.355 1.183
83 HG21 ILE 11 1HG2 ILE 11 -3.832 -1.989 4.658
84 HG22 ILE 11 2HG2 ILE 11 -3.669 -3.728 4.908
85 HG23 ILE 11 3HG2 ILE 11 -5.270 -2.995 4.828
86 HD11 ILE 11 3HD1 ILE 11 -6.703 -2.031 3.750
87 HD12 ILE 11 1HD1 ILE 11 -7.052 -3.192 2.468
88 HD13 ILE 11 2HD1 ILE 11 -7.220 -1.461 2.161
89 H VAL 12 H VAL 12 -2.980 -5.400 1.398
90 HA VAL 12 HA VAL 12 -3.099 -4.407 -1.323
91 HB VAL 12 HB VAL 12 -1.841 -6.522 -2.036
92 HG11 VAL 12 1HG1 VAL 12 0.371 -5.564 -1.490
93 HG12 VAL 12 2HG1 VAL 12 -0.419 -4.452 -0.368
94 HG13 VAL 12 3HG1 VAL 12 -0.774 -4.370 -2.094
95 HG21 VAL 12 3HG2 VAL 12 -1.078 -6.553 0.885
96 HG22 VAL 12 1HG2 VAL 12 -0.373 -7.557 -0.383
97 HG23 VAL 12 2HG2 VAL 12 -2.070 -7.760 0.067
98 HA PRO 13 HA PRO 13 -6.977 -6.738 -0.801
99 HB2 PRO 13 2HB PRO 13 -7.483 -5.182 -3.281
100 HB3 PRO 13 1HB PRO 13 -8.500 -5.361 -1.846
101 HG2 PRO 13 2HG PRO 13 -7.215 -3.081 -2.289
102 HG3 PRO 13 1HG PRO 13 -7.318 -3.750 -0.651
103 HD2 PRO 13 2HD PRO 13 -5.016 -3.817 -2.571
104 HD3 PRO 13 1HD PRO 13 -5.023 -3.528 -0.822
105 H ILE 14 H ILE 14 -4.938 -6.143 -3.562
106 HA ILE 14 HA ILE 14 -5.431 -8.826 -4.592
107 HB ILE 14 HB ILE 14 -5.284 -6.242 -6.208
108 HG12 ILE 14 2HG1 ILE 14 -7.518 -6.622 -5.308
109 HG13 ILE 14 1HG1 ILE 14 -7.515 -6.826 -7.054
110 HG21 ILE 14 1HG2 ILE 14 -5.393 -9.038 -7.293
111 HG22 ILE 14 2HG2 ILE 14 -4.016 -7.939 -7.357
112 HG23 ILE 14 3HG2 ILE 14 -5.496 -7.551 -8.237
113 HD11 ILE 14 3HD1 ILE 14 -7.504 -9.260 -6.751
114 HD12 ILE 14 1HD1 ILE 14 -8.896 -8.502 -5.978
115 HD13 ILE 14 2HD1 ILE 14 -7.529 -9.034 -5.003
116 H LEU 15 H LEU 15 -3.476 -9.758 -5.361
117 HA LEU 15 HA LEU 15 -1.097 -8.678 -4.247
118 HB2 LEU 15 2HB LEU 15 -1.430 -10.913 -6.250
119 HB3 LEU 15 1HB LEU 15 0.037 -10.558 -5.366
120 HG LEU 15 HG LEU 15 -2.562 -11.547 -4.188
121 HD11 LEU 15 1HD1 LEU 15 -1.340 -13.246 -5.419
122 HD12 LEU 15 2HD1 LEU 15 -1.292 -13.561 -3.685
123 HD13 LEU 15 3HD1 LEU 15 0.117 -12.881 -4.496
124 HD21 LEU 15 3HD2 LEU 15 -1.334 -11.704 -2.075
125 HD22 LEU 15 1HD2 LEU 15 -1.424 -10.035 -2.633
126 HD23 LEU 15 2HD2 LEU 15 0.070 -10.951 -2.826
127 H GLY 16 H GLY 16 0.174 -7.210 -5.058
128 HA2 GLY 16 2HA GLY 16 1.440 -6.178 -6.758
129 HA3 GLY 16 1HA GLY 16 0.340 -6.860 -7.954
130 H PHE 17 H PHE 17 -1.518 -5.730 -5.510
131 HA PHE 17 HA PHE 17 -1.746 -3.059 -6.678
132 HB2 PHE 17 2HB PHE 17 -3.636 -4.410 -7.458
133 HB3 PHE 17 1HB PHE 17 -3.936 -4.933 -5.804
134 HD1 PHE 17 2HD PHE 17 -3.828 -1.850 -7.883
135 HD2 PHE 17 1HD PHE 17 -5.503 -3.828 -4.527
136 HE1 PHE 17 2HE PHE 17 -5.369 0.038 -7.547
137 HE2 PHE 17 1HE PHE 17 -7.052 -1.939 -4.178
138 HZ PHE 17 HZ PHE 17 -6.982 -0.007 -5.691
139 H VAL 18 H VAL 18 -1.151 -1.659 -5.172
140 HA VAL 18 HA VAL 18 -1.645 -2.389 -2.393
141 HB VAL 18 HB VAL 18 0.010 -0.676 -1.750
142 HG11 VAL 18 1HG1 VAL 18 1.054 -2.576 -3.836
143 HG12 VAL 18 2HG1 VAL 18 0.849 -2.899 -2.112
144 HG13 VAL 18 3HG1 VAL 18 2.045 -1.725 -2.654
145 HG21 VAL 18 3HG2 VAL 18 -0.302 0.914 -3.585
146 HG22 VAL 18 1HG2 VAL 18 0.425 -0.228 -4.714
147 HG23 VAL 18 2HG2 VAL 18 1.397 0.474 -3.421
148 H TYR 19 H TYR 19 -2.960 -1.273 -1.194
149 HA TYR 19 HA TYR 19 -4.587 0.676 -2.595
150 HB2 TYR 19 2HB TYR 19 -5.729 -1.216 -1.556
151 HB3 TYR 19 1HB TYR 19 -5.030 -0.776 -0.003
152 HD1 TYR 19 1HD TYR 19 -7.305 0.467 -2.657
153 HD2 TYR 19 2HD TYR 19 -6.172 0.697 1.434
154 HE1 TYR 19 1HE TYR 19 -9.254 1.844 -2.195
155 HE2 TYR 19 2HE TYR 19 -8.126 2.085 1.906
156 HH TYR 19 HH TYR 19 -9.719 3.507 0.766
157 H CYS 20 H CYS 20 -3.764 2.594 -2.450
158 HA CYS 20 HA CYS 20 -3.884 4.021 0.012
159 HB2 CYS 20 2HB CYS 20 -1.255 3.832 -1.550
160 HB3 CYS 20 1HB CYS 20 -1.606 5.096 -0.388
161 H CYS 21 H CYS 21 -3.576 6.357 -0.628
162 HA CYS 21 HA CYS 21 -5.024 6.953 -2.963
163 HB2 CYS 21 2HB CYS 21 -3.235 8.744 -1.297
164 HB3 CYS 21 1HB CYS 21 -4.270 9.327 -2.598
165 HA PRO 22 HA PRO 22 -2.164 6.608 -6.218
166 HB2 PRO 22 2HB PRO 22 -2.976 8.585 -7.915
167 HB3 PRO 22 1HB PRO 22 -3.861 7.075 -7.693
168 HG2 PRO 22 2HG PRO 22 -4.372 9.757 -6.491
169 HG3 PRO 22 1HG PRO 22 -5.530 8.578 -7.133
170 HD2 PRO 22 2HD PRO 22 -5.031 8.853 -4.454
171 HD3 PRO 22 1HD PRO 22 -5.493 7.306 -5.192
172 H GLY 23 H GLY 23 -0.230 7.325 -6.832
173 HA2 GLY 23 2HA GLY 23 1.423 8.992 -7.224
174 HA3 GLY 23 1HA GLY 23 0.551 10.047 -6.112
175 H LEU 24 H LEU 24 0.489 7.172 -4.657
176 HA LEU 24 HA LEU 24 2.915 7.793 -3.124
177 HB2 LEU 24 2HB LEU 24 0.615 6.088 -2.174
178 HB3 LEU 24 1HB LEU 24 1.905 6.801 -1.268
179 HG LEU 24 HG LEU 24 -0.205 8.464 -2.608
180 HD11 LEU 24 1HD1 LEU 24 -1.074 8.774 -0.331
181 HD12 LEU 24 2HD1 LEU 24 0.025 7.472 0.197
182 HD13 LEU 24 3HD1 LEU 24 -1.253 7.149 -0.984
183 HD21 LEU 24 3HD2 LEU 24 1.950 9.127 -0.594
184 HD22 LEU 24 1HD2 LEU 24 0.660 10.223 -1.105
185 HD23 LEU 24 2HD2 LEU 24 1.854 9.662 -2.269
186 H ILE 25 H ILE 25 4.127 6.032 -2.421
187 HA ILE 25 HA ILE 25 3.729 3.572 -3.973
188 HB ILE 25 HB ILE 25 6.223 3.327 -4.127
189 HG12 ILE 25 2HG1 ILE 25 6.264 6.246 -3.292
190 HG13 ILE 25 1HG1 ILE 25 6.825 4.904 -2.305
191 HG21 ILE 25 1HG2 ILE 25 4.958 4.043 -6.053
192 HG22 ILE 25 2HG2 ILE 25 6.513 4.873 -6.012
193 HG23 ILE 25 3HG2 ILE 25 5.047 5.723 -5.523
194 HD11 ILE 25 3HD1 ILE 25 8.001 5.778 -4.936
195 HD12 ILE 25 1HD1 ILE 25 8.576 4.437 -3.946
196 HD13 ILE 25 2HD1 ILE 25 8.679 6.090 -3.338
197 H CYS 26 H CYS 26 3.955 1.712 -2.873
198 HA CYS 26 HA CYS 26 4.388 1.963 -0.000
199 HB2 CYS 26 2HB CYS 26 2.404 0.711 -1.061
200 HB3 CYS 26 1HB CYS 26 3.569 -0.536 -1.502
201 H GLY 27 H GLY 27 6.458 2.329 0.110
202 HA2 GLY 27 2HA GLY 27 8.383 0.740 -1.343
203 HA3 GLY 27 1HA GLY 27 8.743 2.051 -0.230
204 HA PRO 28 HA PRO 28 10.139 -0.864 2.690
205 HB2 PRO 28 2HB PRO 28 9.326 0.284 5.071
206 HB3 PRO 28 1HB PRO 28 10.766 0.760 4.169
207 HG2 PRO 28 2HG PRO 28 8.076 2.046 4.248
208 HG3 PRO 28 1HG PRO 28 9.679 2.792 4.148
209 HD2 PRO 28 2HD PRO 28 8.033 2.550 2.010
210 HD3 PRO 28 1HD PRO 28 9.800 2.520 1.867
211 H PHE 29 H PHE 29 7.365 0.088 4.663
212 HA PHE 29 HA PHE 29 6.045 -2.438 3.936
213 HB2 PHE 29 2HB PHE 29 6.268 -1.319 6.755
214 HB3 PHE 29 1HB PHE 29 5.408 -2.771 6.282
215 HD1 PHE 29 1HD PHE 29 6.757 -4.714 5.363
216 HD2 PHE 29 2HD PHE 29 8.523 -1.387 7.337
217 HE1 PHE 29 1HE PHE 29 8.779 -6.048 5.803
218 HE2 PHE 29 2HE PHE 29 10.542 -2.709 7.776
219 HZ PHE 29 HZ PHE 29 10.674 -5.046 7.012
220 H VAL 30 H VAL 30 5.912 0.711 3.691
221 HA VAL 30 HA VAL 30 3.035 0.947 4.058
222 HB VAL 30 HB VAL 30 3.278 3.148 5.145
223 HG11 VAL 30 1HG1 VAL 30 4.004 2.426 7.360
224 HG12 VAL 30 2HG1 VAL 30 4.692 0.964 6.646
225 HG13 VAL 30 3HG1 VAL 30 2.952 1.242 6.586
226 HG21 VAL 30 3HG2 VAL 30 5.467 3.829 6.097
227 HG22 VAL 30 1HG2 VAL 30 5.454 3.809 4.331
228 HG23 VAL 30 2HG2 VAL 30 6.218 2.498 5.218
229 H CYS 31 H CYS 31 2.346 3.082 3.096
230 HA CYS 31 HA CYS 31 3.723 3.554 0.599
231 HB2 CYS 31 2HB CYS 31 1.138 4.530 1.788
232 HB3 CYS 31 1HB CYS 31 1.748 5.093 0.220
233 H VAL 32 H VAL 32 3.896 5.922 0.014
234 HA VAL 32 HA VAL 32 4.646 7.773 1.846
235 HB VAL 32 HB VAL 32 6.337 6.236 2.637
236 HG11 VAL 32 1HG1 VAL 32 6.652 4.838 0.644
237 HG12 VAL 32 2HG1 VAL 32 8.208 5.458 1.197
238 HG13 VAL 32 3HG1 VAL 32 7.414 6.188 -0.199
239 HG21 VAL 32 3HG2 VAL 32 8.304 7.595 2.430
240 HG22 VAL 32 1HG2 VAL 32 6.874 8.602 2.595
241 HG23 VAL 32 2HG2 VAL 32 7.641 8.402 1.009
Start of MODEL 10
1 H1 ARG 1 H ARG 1 -12.206 9.324 -5.027
2 HA ARG 1 HA ARG 1 -11.611 6.562 -5.409
3 HB2 ARG 1 2HB ARG 1 -9.423 8.636 -5.514
4 HB3 ARG 1 1HB ARG 1 -9.144 6.937 -5.188
5 HG2 ARG 1 2HG ARG 1 -10.333 8.065 -7.713
6 HG3 ARG 1 1HG ARG 1 -8.669 7.507 -7.511
7 HD2 ARG 1 2HD ARG 1 -11.169 5.830 -7.257
8 HD3 ARG 1 1HD ARG 1 -10.015 5.790 -8.585
9 HE ARG 1 HE ARG 1 -8.375 5.168 -6.746
10 HH11 ARG 1 1HH1 ARG 1 -11.747 4.082 -6.926
11 HH12 ARG 1 2HH1 ARG 1 -11.512 2.678 -6.011
12 HH21 ARG 1 1HH2 ARG 1 -8.046 3.190 -5.457
13 HH22 ARG 1 2HH2 ARG 1 -9.342 2.134 -5.189
14 H ASP 2 H ASP 2 -12.176 5.878 -3.485
15 HA ASP 2 HA ASP 2 -11.474 7.428 -1.128
16 HB2 ASP 2 2HB ASP 2 -13.734 6.421 -1.214
17 HB3 ASP 2 1HB ASP 2 -13.014 4.826 -1.386
18 H CYS 3 H CYS 3 -9.392 7.246 -0.862
19 HA CYS 3 HA CYS 3 -8.179 4.577 -0.924
20 HB2 CYS 3 2HB CYS 3 -6.123 5.816 -1.621
21 HB3 CYS 3 1HB CYS 3 -7.430 5.823 -2.805
22 H GLN 4 H GLN 4 -5.880 4.853 0.210
23 HA GLN 4 HA GLN 4 -6.468 6.012 2.842
24 HB2 GLN 4 2HB GLN 4 -5.489 4.135 3.881
25 HB3 GLN 4 1HB GLN 4 -6.407 3.499 2.520
26 HG2 GLN 4 2HG GLN 4 -4.500 3.168 1.219
27 HG3 GLN 4 1HG GLN 4 -3.451 3.945 2.416
28 HE21 GLN 4 1HE2 GLN 4 -3.239 1.324 1.327
29 HE22 GLN 4 2HE2 GLN 4 -3.432 0.223 2.660
30 H GLU 5 H GLU 5 -4.678 6.677 4.020
31 HA GLU 5 HA GLU 5 -3.034 8.383 2.581
32 HB2 GLU 5 2HB GLU 5 -3.374 7.600 5.402
33 HB3 GLU 5 1HB GLU 5 -2.043 8.644 4.906
34 HG2 GLU 5 2HG GLU 5 -4.791 9.109 4.042
35 HG3 GLU 5 1HG GLU 5 -4.271 9.726 5.616
36 H LYS 6 H LYS 6 -0.805 8.612 3.118
37 HA LYS 6 HA LYS 6 0.560 6.356 2.093
38 HB2 LYS 6 2HB LYS 6 2.632 7.840 2.283
39 HB3 LYS 6 1HB LYS 6 1.343 8.404 1.229
40 HG2 LYS 6 2HG LYS 6 0.520 9.695 3.061
41 HG3 LYS 6 1HG LYS 6 1.989 9.389 4.000
42 HD2 LYS 6 2HD LYS 6 1.768 10.788 1.313
43 HD3 LYS 6 1HD LYS 6 1.987 11.610 2.853
44 HE2 LYS 6 2HE LYS 6 4.176 10.349 3.065
45 HE3 LYS 6 1HE LYS 6 3.892 9.807 1.406
46 HZ1 LYS 6 3HZ LYS 6 5.332 11.757 1.525
47 HZ2 LYS 6 1HZ LYS 6 4.086 12.646 2.207
48 HZ3 LYS 6 2HZ LYS 6 3.949 12.052 0.632
49 H TRP 7 H TRP 7 0.740 8.098 5.160
50 HA TRP 7 HA TRP 7 2.627 6.185 6.180
51 HB2 TRP 7 2HB TRP 7 1.391 8.596 7.498
52 HB3 TRP 7 1HB TRP 7 2.662 7.599 8.203
53 HD1 TRP 7 HD TRP 7 2.253 10.642 6.216
54 HE1 TRP 7 1HE TRP 7 4.457 11.304 5.066
55 HE3 TRP 7 3HE TRP 7 4.884 6.306 6.837
56 HZ2 TRP 7 2HZ TRP 7 6.919 10.190 4.509
57 HZ3 TRP 7 3HZ TRP 7 7.186 6.210 5.922
58 HH2 TRP 7 HH TRP 7 8.161 8.105 4.796
59 H GLU 8 H GLU 8 0.021 5.140 5.582
60 HA GLU 8 HA GLU 8 -1.131 4.463 8.170
61 HB2 GLU 8 2HB GLU 8 -1.737 3.456 5.369
62 HB3 GLU 8 1HB GLU 8 -2.635 3.032 6.818
63 HG2 GLU 8 2HG GLU 8 -2.394 5.776 5.649
64 HG3 GLU 8 1HG GLU 8 -3.788 4.709 5.505
65 H TYR 9 H TYR 9 -1.626 1.642 7.423
66 HA TYR 9 HA TYR 9 1.082 0.651 7.856
67 HB2 TYR 9 2HB TYR 9 -1.616 -0.661 8.235
68 HB3 TYR 9 1HB TYR 9 -0.093 -1.536 8.372
69 HD1 TYR 9 1HD TYR 9 -2.127 1.175 9.850
70 HD2 TYR 9 2HD TYR 9 1.260 -1.353 10.316
71 HE1 TYR 9 1HE TYR 9 -1.913 1.901 12.166
72 HE2 TYR 9 2HE TYR 9 1.483 -0.637 12.638
73 HH TYR 9 HH TYR 9 -0.952 1.140 14.251
74 H CYS 10 H CYS 10 -1.230 1.022 5.529
75 HA CYS 10 HA CYS 10 -1.291 0.707 3.338
76 HB2 CYS 10 2HB CYS 10 1.082 1.133 3.248
77 HB3 CYS 10 1HB CYS 10 1.456 -0.543 3.654
78 H ILE 11 H ILE 11 -2.042 -0.834 1.829
79 HA ILE 11 HA ILE 11 -2.647 -3.408 3.110
80 HB ILE 11 HB ILE 11 -4.339 -1.764 1.201
81 HG12 ILE 11 2HG1 ILE 11 -4.860 -2.635 4.051
82 HG13 ILE 11 1HG1 ILE 11 -4.376 -1.019 3.563
83 HG21 ILE 11 1HG2 ILE 11 -6.051 -3.525 1.381
84 HG22 ILE 11 2HG2 ILE 11 -4.918 -4.514 2.300
85 HG23 ILE 11 3HG2 ILE 11 -4.572 -4.113 0.618
86 HD11 ILE 11 3HD1 ILE 11 -6.478 -0.790 2.319
87 HD12 ILE 11 1HD1 ILE 11 -6.748 -1.123 4.030
88 HD13 ILE 11 2HD1 ILE 11 -6.945 -2.409 2.839
89 H VAL 12 H VAL 12 -2.137 -5.196 1.985
90 HA VAL 12 HA VAL 12 -1.375 -4.872 -0.786
91 HB VAL 12 HB VAL 12 0.721 -4.645 0.341
92 HG11 VAL 12 1HG1 VAL 12 0.083 -7.147 1.878
93 HG12 VAL 12 2HG1 VAL 12 0.162 -5.504 2.516
94 HG13 VAL 12 3HG1 VAL 12 1.624 -6.289 1.915
95 HG21 VAL 12 3HG2 VAL 12 2.002 -6.595 -0.453
96 HG22 VAL 12 1HG2 VAL 12 0.830 -6.032 -1.646
97 HG23 VAL 12 2HG2 VAL 12 0.490 -7.469 -0.687
98 HA PRO 13 HA PRO 13 -4.128 -8.512 -0.700
99 HB2 PRO 13 2HB PRO 13 -4.122 -7.886 -3.602
100 HB3 PRO 13 1HB PRO 13 -5.498 -8.111 -2.517
101 HG2 PRO 13 2HG PRO 13 -4.862 -5.682 -3.410
102 HG3 PRO 13 1HG PRO 13 -5.414 -5.924 -1.741
103 HD2 PRO 13 2HD PRO 13 -2.626 -5.534 -2.773
104 HD3 PRO 13 1HD PRO 13 -3.410 -4.825 -1.343
105 H ILE 14 H ILE 14 -1.822 -7.756 -3.273
106 HA ILE 14 HA ILE 14 -0.537 -10.323 -2.894
107 HB ILE 14 HB ILE 14 -0.188 -10.535 -5.370
108 HG12 ILE 14 2HG1 ILE 14 -2.303 -8.368 -5.577
109 HG13 ILE 14 1HG1 ILE 14 -0.600 -8.205 -5.989
110 HG21 ILE 14 1HG2 ILE 14 -3.065 -10.648 -4.493
111 HG22 ILE 14 2HG2 ILE 14 -1.859 -11.929 -4.350
112 HG23 ILE 14 3HG2 ILE 14 -2.415 -11.415 -5.940
113 HD11 ILE 14 3HD1 ILE 14 -2.576 -10.007 -7.370
114 HD12 ILE 14 1HD1 ILE 14 -0.877 -9.817 -7.797
115 HD13 ILE 14 2HD1 ILE 14 -1.988 -8.458 -7.974
116 H LEU 15 H LEU 15 1.695 -10.220 -3.480
117 HA LEU 15 HA LEU 15 2.863 -7.731 -2.826
118 HB2 LEU 15 2HB LEU 15 3.780 -10.084 -2.413
119 HB3 LEU 15 1HB LEU 15 4.234 -10.113 -4.097
120 HG LEU 15 HG LEU 15 6.132 -9.665 -2.575
121 HD11 LEU 15 1HD1 LEU 15 5.527 -7.333 -4.369
122 HD12 LEU 15 2HD1 LEU 15 6.297 -8.844 -4.847
123 HD13 LEU 15 3HD1 LEU 15 7.110 -7.759 -3.717
124 HD21 LEU 15 3HD2 LEU 15 4.699 -7.097 -1.943
125 HD22 LEU 15 1HD2 LEU 15 6.322 -7.537 -1.421
126 HD23 LEU 15 2HD2 LEU 15 4.931 -8.456 -0.843
127 H GLY 16 H GLY 16 3.487 -6.100 -4.122
128 HA2 GLY 16 2HA GLY 16 4.427 -5.234 -6.126
129 HA3 GLY 16 1HA GLY 16 3.760 -6.612 -6.995
130 H PHE 17 H PHE 17 1.496 -5.642 -4.878
131 HA PHE 17 HA PHE 17 0.131 -3.971 -6.865
132 HB2 PHE 17 2HB PHE 17 -0.862 -6.211 -6.307
133 HB3 PHE 17 1HB PHE 17 -1.040 -5.670 -4.646
134 HD1 PHE 17 2HD PHE 17 -2.643 -3.776 -4.166
135 HD2 PHE 17 1HD PHE 17 -2.393 -5.690 -7.958
136 HE1 PHE 17 2HE PHE 17 -4.862 -2.903 -4.752
137 HE2 PHE 17 1HE PHE 17 -4.599 -4.822 -8.544
138 HZ PHE 17 HZ PHE 17 -5.837 -3.426 -6.952
139 H VAL 18 H VAL 18 -0.205 -1.922 -6.210
140 HA VAL 18 HA VAL 18 0.359 -1.292 -3.423
141 HB VAL 18 HB VAL 18 0.405 0.539 -5.841
142 HG11 VAL 18 1HG1 VAL 18 1.443 2.194 -4.355
143 HG12 VAL 18 2HG1 VAL 18 1.234 1.095 -2.992
144 HG13 VAL 18 3HG1 VAL 18 -0.179 1.759 -3.810
145 HG21 VAL 18 3HG2 VAL 18 2.687 -0.607 -4.231
146 HG22 VAL 18 1HG2 VAL 18 2.841 0.560 -5.544
147 HG23 VAL 18 2HG2 VAL 18 2.245 -1.068 -5.874
148 H TYR 19 H TYR 19 -1.273 -0.593 -2.178
149 HA TYR 19 HA TYR 19 -3.460 0.806 -3.492
150 HB2 TYR 19 2HB TYR 19 -4.470 -1.324 -2.940
151 HB3 TYR 19 1HB TYR 19 -3.850 -1.240 -1.289
152 HD1 TYR 19 2HD TYR 19 -6.229 0.409 -3.651
153 HD2 TYR 19 1HD TYR 19 -5.060 -0.094 0.411
154 HE1 TYR 19 2HE TYR 19 -8.217 1.648 -2.917
155 HE2 TYR 19 1HE TYR 19 -7.037 1.143 1.145
156 HH TYR 19 HH TYR 19 -9.607 1.904 -0.923
157 H CYS 20 H CYS 20 -3.120 2.746 -2.984
158 HA CYS 20 HA CYS 20 -3.701 3.737 -0.411
159 HB2 CYS 20 2HB CYS 20 -0.896 4.121 -1.560
160 HB3 CYS 20 1HB CYS 20 -1.614 5.252 -0.426
161 H CYS 21 H CYS 21 -3.433 6.277 -0.767
162 HA CYS 21 HA CYS 21 -4.912 6.971 -3.034
163 HB2 CYS 21 2HB CYS 21 -3.177 8.602 -1.209
164 HB3 CYS 21 1HB CYS 21 -4.158 9.337 -2.490
165 HA PRO 22 HA PRO 22 -2.237 6.997 -6.453
166 HB2 PRO 22 2HB PRO 22 -2.937 9.295 -7.778
167 HB3 PRO 22 1HB PRO 22 -3.899 7.813 -7.803
168 HG2 PRO 22 2HG PRO 22 -4.259 10.273 -6.144
169 HG3 PRO 22 1HG PRO 22 -5.484 9.286 -6.962
170 HD2 PRO 22 2HD PRO 22 -5.016 9.087 -4.319
171 HD3 PRO 22 1HD PRO 22 -5.475 7.675 -5.285
172 H GLY 23 H GLY 23 -0.222 7.574 -6.928
173 HA2 GLY 23 2HA GLY 23 1.552 9.120 -7.219
174 HA3 GLY 23 1HA GLY 23 0.765 10.191 -6.065
175 H LEU 24 H LEU 24 0.407 7.439 -4.538
176 HA LEU 24 HA LEU 24 2.889 7.848 -3.034
177 HB2 LEU 24 2HB LEU 24 0.623 6.100 -2.083
178 HB3 LEU 24 1HB LEU 24 1.886 6.872 -1.222
179 HG LEU 24 HG LEU 24 -0.252 8.500 -2.537
180 HD11 LEU 24 1HD1 LEU 24 -0.057 7.423 0.244
181 HD12 LEU 24 2HD1 LEU 24 -1.358 7.201 -0.940
182 HD13 LEU 24 3HD1 LEU 24 -1.088 8.782 -0.209
183 HD21 LEU 24 3HD2 LEU 24 0.595 10.232 -0.967
184 HD22 LEU 24 1HD2 LEU 24 1.779 9.712 -2.167
185 HD23 LEU 24 2HD2 LEU 24 1.902 9.126 -0.520
186 H ILE 25 H ILE 25 4.026 6.024 -2.302
187 HA ILE 25 HA ILE 25 3.557 3.598 -3.873
188 HB ILE 25 HB ILE 25 6.000 3.192 -3.952
189 HG12 ILE 25 2HG1 ILE 25 6.291 6.102 -3.153
190 HG13 ILE 25 1HG1 ILE 25 6.657 4.732 -2.113
191 HG21 ILE 25 1HG2 ILE 25 4.878 3.999 -5.920
192 HG22 ILE 25 2HG2 ILE 25 6.480 4.735 -5.821
193 HG23 ILE 25 3HG2 ILE 25 5.050 5.667 -5.377
194 HD11 ILE 25 3HD1 ILE 25 8.682 5.647 -3.055
195 HD12 ILE 25 1HD1 ILE 25 8.047 5.437 -4.689
196 HD13 ILE 25 2HD1 ILE 25 8.399 4.028 -3.690
197 H CYS 26 H CYS 26 3.436 1.824 -2.727
198 HA CYS 26 HA CYS 26 4.062 1.948 0.100
199 HB2 CYS 26 2HB CYS 26 1.986 0.901 -0.848
200 HB3 CYS 26 1HB CYS 26 2.993 -0.395 -1.505
201 H GLY 27 H GLY 27 6.142 1.952 0.342
202 HA2 GLY 27 2HA GLY 27 7.797 0.341 -1.453
203 HA3 GLY 27 1HA GLY 27 8.352 1.661 -0.438
204 HA PRO 28 HA PRO 28 9.998 -1.223 2.349
205 HB2 PRO 28 2HB PRO 28 9.634 -0.003 4.770
206 HB3 PRO 28 1HB PRO 28 10.863 0.489 3.602
207 HG2 PRO 28 2HG PRO 28 8.183 1.688 4.156
208 HG3 PRO 28 1HG PRO 28 9.722 2.494 3.810
209 HD2 PRO 28 2HD PRO 28 7.767 2.202 1.949
210 HD3 PRO 28 1HD PRO 28 9.488 2.224 1.532
211 H PHE 29 H PHE 29 6.843 -0.030 3.276
212 HA PHE 29 HA PHE 29 5.687 -2.522 3.759
213 HB2 PHE 29 2HB PHE 29 7.105 -2.502 5.786
214 HB3 PHE 29 1HB PHE 29 6.498 -0.909 6.206
215 HD1 PHE 29 1HD PHE 29 5.639 -4.455 5.928
216 HD2 PHE 29 2HD PHE 29 4.449 -0.649 7.301
217 HE1 PHE 29 1HE PHE 29 3.855 -5.516 7.265
218 HE2 PHE 29 2HE PHE 29 2.649 -1.675 8.653
219 HZ PHE 29 HZ PHE 29 2.357 -4.122 8.631
220 H VAL 30 H VAL 30 5.932 0.902 4.443
221 HA VAL 30 HA VAL 30 3.026 1.175 4.288
222 HB VAL 30 HB VAL 30 3.297 3.320 5.386
223 HG11 VAL 30 1HG1 VAL 30 3.144 1.371 6.829
224 HG12 VAL 30 2HG1 VAL 30 4.158 2.628 7.545
225 HG13 VAL 30 3HG1 VAL 30 4.905 1.219 6.796
226 HG21 VAL 30 3HG2 VAL 30 6.267 2.782 5.295
227 HG22 VAL 30 1HG2 VAL 30 5.505 4.098 6.195
228 HG23 VAL 30 2HG2 VAL 30 5.397 4.050 4.438
229 H CYS 31 H CYS 31 2.481 3.416 3.361
230 HA CYS 31 HA CYS 31 3.800 3.689 0.797
231 HB2 CYS 31 2HB CYS 31 1.212 4.623 1.954
232 HB3 CYS 31 1HB CYS 31 1.819 5.287 0.422
233 H VAL 32 H VAL 32 3.792 6.059 0.114
234 HA VAL 32 HA VAL 32 4.483 8.079 1.830
235 HB VAL 32 HB VAL 32 6.383 6.741 2.532
236 HG11 VAL 32 1HG1 VAL 32 7.191 6.659 -0.392
237 HG12 VAL 32 2HG1 VAL 32 6.652 5.285 0.574
238 HG13 VAL 32 3HG1 VAL 32 8.185 6.077 0.944
239 HG21 VAL 32 3HG2 VAL 32 8.228 8.256 2.030
240 HG22 VAL 32 1HG2 VAL 32 6.741 9.112 2.410
241 HG23 VAL 32 2HG2 VAL 32 7.278 8.992 0.727
Start of MODEL 11
1 H1 ARG 1 H ARG 1 -14.521 8.972 -3.811
2 HA ARG 1 HA ARG 1 -13.692 6.331 -4.270
3 HB2 ARG 1 2HB ARG 1 -11.882 8.509 -5.262
4 HB3 ARG 1 1HB ARG 1 -11.371 6.881 -4.891
5 HG2 ARG 1 2HG ARG 1 -13.417 7.609 -6.995
6 HG3 ARG 1 1HG ARG 1 -11.721 7.240 -7.319
7 HD2 ARG 1 2HD ARG 1 -13.772 5.376 -6.122
8 HD3 ARG 1 1HD ARG 1 -13.077 5.287 -7.739
9 HE ARG 1 HE ARG 1 -10.929 5.247 -6.067
10 HH11 ARG 1 1HH1 ARG 1 -13.763 3.196 -6.463
11 HH12 ARG 1 2HH1 ARG 1 -12.984 1.809 -5.854
12 HH21 ARG 1 1HH2 ARG 1 -9.905 3.396 -5.256
13 HH22 ARG 1 2HH2 ARG 1 -10.740 1.904 -5.181
14 H ASP 2 H ASP 2 -12.696 5.607 -2.561
15 HA ASP 2 HA ASP 2 -11.658 7.646 -0.815
16 HB2 ASP 2 2HB ASP 2 -12.315 6.467 1.116
17 HB3 ASP 2 1HB ASP 2 -13.713 6.495 0.070
18 H CYS 3 H CYS 3 -9.747 7.438 -0.148
19 HA CYS 3 HA CYS 3 -8.274 4.924 -0.466
20 HB2 CYS 3 2HB CYS 3 -6.343 6.118 -1.408
21 HB3 CYS 3 1HB CYS 3 -7.738 6.225 -2.471
22 H GLN 4 H GLN 4 -5.981 5.280 0.585
23 HA GLN 4 HA GLN 4 -6.489 6.640 3.151
24 HB2 GLN 4 2HB GLN 4 -5.494 4.788 4.319
25 HB3 GLN 4 1HB GLN 4 -6.693 4.161 3.200
26 HG2 GLN 4 2HG GLN 4 -5.047 3.512 1.644
27 HG3 GLN 4 1HG GLN 4 -3.764 4.166 2.663
28 HE21 GLN 4 1HE2 GLN 4 -4.206 1.495 1.684
29 HE22 GLN 4 2HE2 GLN 4 -4.272 0.465 3.055
30 H GLU 5 H GLU 5 -4.568 7.161 4.276
31 HA GLU 5 HA GLU 5 -2.928 8.703 2.597
32 HB2 GLU 5 2HB GLU 5 -2.858 8.062 5.482
33 HB3 GLU 5 1HB GLU 5 -1.647 9.138 4.762
34 HG2 GLU 5 2HG GLU 5 -3.596 10.551 4.029
35 HG3 GLU 5 1HG GLU 5 -4.624 9.499 5.007
36 H LYS 6 H LYS 6 -0.536 8.734 3.033
37 HA LYS 6 HA LYS 6 0.464 6.414 1.828
38 HB2 LYS 6 2HB LYS 6 2.641 7.611 1.800
39 HB3 LYS 6 1HB LYS 6 1.328 8.635 1.235
40 HG2 LYS 6 2HG LYS 6 1.245 9.183 3.768
41 HG3 LYS 6 1HG LYS 6 2.945 8.809 3.682
42 HD2 LYS 6 2HD LYS 6 1.611 10.818 1.856
43 HD3 LYS 6 1HD LYS 6 2.356 11.261 3.382
44 HE2 LYS 6 2HE LYS 6 4.482 10.285 2.517
45 HE3 LYS 6 1HE LYS 6 3.680 10.087 0.958
46 HZ1 LYS 6 3HZ LYS 6 3.257 12.511 0.953
47 HZ2 LYS 6 1HZ LYS 6 4.905 12.147 1.021
48 HZ3 LYS 6 2HZ LYS 6 4.104 12.631 2.406
49 H TRP 7 H TRP 7 0.933 7.790 5.067
50 HA TRP 7 HA TRP 7 2.755 5.681 5.796
51 HB2 TRP 7 2HB TRP 7 1.584 7.903 7.468
52 HB3 TRP 7 1HB TRP 7 2.887 6.831 7.970
53 HD1 TRP 7 HD TRP 7 2.332 10.121 6.423
54 HE1 TRP 7 1HE TRP 7 4.491 11.042 5.387
55 HE3 TRP 7 3HE TRP 7 5.150 5.875 6.464
56 HZ2 TRP 7 2HZ TRP 7 7.023 10.123 4.676
57 HZ3 TRP 7 3HZ TRP 7 7.445 5.989 5.564
58 HH2 TRP 7 HH TRP 7 8.344 8.085 4.688
59 H GLU 8 H GLU 8 -0.072 5.059 5.189
60 HA GLU 8 HA GLU 8 -1.182 4.091 7.691
61 HB2 GLU 8 2HB GLU 8 -2.125 3.923 4.833
62 HB3 GLU 8 1HB GLU 8 -2.990 3.226 6.195
63 HG2 GLU 8 2HG GLU 8 -2.328 6.129 5.879
64 HG3 GLU 8 1HG GLU 8 -3.881 5.394 5.477
65 H TYR 9 H TYR 9 -2.220 1.692 7.035
66 HA TYR 9 HA TYR 9 0.006 -0.012 7.192
67 HB2 TYR 9 2HB TYR 9 -2.910 -0.657 6.757
68 HB3 TYR 9 1HB TYR 9 -1.666 -1.865 7.058
69 HD1 TYR 9 1HD TYR 9 -0.347 -1.692 9.238
70 HD2 TYR 9 2HD TYR 9 -3.980 0.431 8.567
71 HE1 TYR 9 1HE TYR 9 -0.618 -1.407 11.649
72 HE2 TYR 9 2HE TYR 9 -4.254 0.726 10.987
73 HH TYR 9 HH TYR 9 -1.755 0.105 13.187
74 H CYS 10 H CYS 10 -1.360 1.403 4.529
75 HA CYS 10 HA CYS 10 -0.966 1.328 2.330
76 HB2 CYS 10 2HB CYS 10 1.319 1.224 2.691
77 HB3 CYS 10 1HB CYS 10 1.298 -0.459 3.214
78 H ILE 11 H ILE 11 -0.276 -2.118 2.892
79 HA ILE 11 HA ILE 11 -2.460 -2.677 1.057
80 HB ILE 11 HB ILE 11 -0.371 -4.548 2.224
81 HG12 ILE 11 2HG1 ILE 11 0.689 -2.940 0.705
82 HG13 ILE 11 1HG1 ILE 11 0.678 -4.545 -0.008
83 HG21 ILE 11 1HG2 ILE 11 -2.427 -4.976 0.069
84 HG22 ILE 11 2HG2 ILE 11 -2.377 -5.752 1.654
85 HG23 ILE 11 3HG2 ILE 11 -1.134 -6.104 0.450
86 HD11 ILE 11 3HD1 ILE 11 -1.227 -3.891 -1.410
87 HD12 ILE 11 1HD1 ILE 11 0.173 -2.846 -1.661
88 HD13 ILE 11 2HD1 ILE 11 -1.186 -2.277 -0.696
89 H VAL 12 H VAL 12 -4.248 -3.617 1.793
90 HA VAL 12 HA VAL 12 -4.477 -3.632 4.658
91 HB VAL 12 HB VAL 12 -6.966 -3.760 4.220
92 HG11 VAL 12 1HG1 VAL 12 -5.416 -1.456 3.028
93 HG12 VAL 12 2HG1 VAL 12 -5.818 -1.664 4.732
94 HG13 VAL 12 3HG1 VAL 12 -7.097 -1.391 3.552
95 HG21 VAL 12 3HG2 VAL 12 -7.725 -3.157 1.937
96 HG22 VAL 12 1HG2 VAL 12 -6.888 -4.711 1.955
97 HG23 VAL 12 2HG2 VAL 12 -6.064 -3.269 1.369
98 HA PRO 13 HA PRO 13 -4.575 -8.060 4.698
99 HB2 PRO 13 2HB PRO 13 -4.723 -8.368 7.366
100 HB3 PRO 13 1HB PRO 13 -3.228 -7.843 6.586
101 HG2 PRO 13 2HG PRO 13 -5.268 -6.227 8.052
102 HG3 PRO 13 1HG PRO 13 -3.504 -6.083 8.062
103 HD2 PRO 13 2HD PRO 13 -5.195 -4.485 6.580
104 HD3 PRO 13 1HD PRO 13 -3.485 -4.769 6.197
105 H ILE 14 H ILE 14 -6.938 -5.861 5.479
106 HA ILE 14 HA ILE 14 -8.950 -7.935 5.993
107 HB ILE 14 HB ILE 14 -9.316 -4.947 6.348
108 HG12 ILE 14 2HG1 ILE 14 -8.666 -6.940 8.527
109 HG13 ILE 14 1HG1 ILE 14 -7.501 -5.805 7.848
110 HG21 ILE 14 1HG2 ILE 14 -11.213 -5.660 7.767
111 HG22 ILE 14 2HG2 ILE 14 -10.831 -7.341 7.414
112 HG23 ILE 14 3HG2 ILE 14 -11.361 -6.269 6.116
113 HD11 ILE 14 3HD1 ILE 14 -8.865 -3.946 8.627
114 HD12 ILE 14 1HD1 ILE 14 -8.403 -5.011 9.953
115 HD13 ILE 14 2HD1 ILE 14 -10.036 -5.084 9.290
116 H LEU 15 H LEU 15 -10.209 -8.331 4.286
117 HA LEU 15 HA LEU 15 -9.889 -6.800 1.890
118 HB2 LEU 15 2HB LEU 15 -11.790 -9.063 2.495
119 HB3 LEU 15 1HB LEU 15 -11.492 -8.387 0.907
120 HG LEU 15 HG LEU 15 -9.506 -9.883 2.608
121 HD11 LEU 15 1HD1 LEU 15 -10.884 -10.639 0.042
122 HD12 LEU 15 2HD1 LEU 15 -11.181 -11.330 1.636
123 HD13 LEU 15 3HD1 LEU 15 -9.623 -11.571 0.846
124 HD21 LEU 15 3HD2 LEU 15 -8.351 -8.168 1.338
125 HD22 LEU 15 1HD2 LEU 15 -9.183 -8.664 -0.138
126 HD23 LEU 15 2HD2 LEU 15 -8.030 -9.749 0.633
127 H GLY 16 H GLY 16 -11.436 -5.586 0.843
128 HA2 GLY 16 2HA GLY 16 -13.623 -4.626 0.710
129 HA3 GLY 16 1HA GLY 16 -13.780 -4.884 2.446
130 H PHE 17 H PHE 17 -10.757 -3.853 1.802
131 HA PHE 17 HA PHE 17 -11.466 -1.054 2.276
132 HB2 PHE 17 2HB PHE 17 -9.167 -2.682 3.331
133 HB3 PHE 17 1HB PHE 17 -9.099 -0.927 3.277
134 HD1 PHE 17 2HD PHE 17 -10.582 0.401 4.675
135 HD2 PHE 17 1HD PHE 17 -10.486 -3.835 4.927
136 HE1 PHE 17 2HE PHE 17 -11.721 0.516 6.845
137 HE2 PHE 17 1HE PHE 17 -11.625 -3.724 7.117
138 HZ PHE 17 HZ PHE 17 -12.238 -1.554 8.070
139 H VAL 18 H VAL 18 -9.397 0.347 1.663
140 HA VAL 18 HA VAL 18 -8.873 -0.414 -1.109
141 HB VAL 18 HB VAL 18 -8.651 2.047 -1.566
142 HG11 VAL 18 1HG1 VAL 18 -11.289 1.079 -0.497
143 HG12 VAL 18 2HG1 VAL 18 -10.674 0.834 -2.132
144 HG13 VAL 18 3HG1 VAL 18 -11.071 2.462 -1.570
145 HG21 VAL 18 3HG2 VAL 18 -9.701 3.584 0.072
146 HG22 VAL 18 1HG2 VAL 18 -8.218 2.845 0.688
147 HG23 VAL 18 2HG2 VAL 18 -9.790 2.253 1.219
148 H TYR 19 H TYR 19 -7.066 1.172 -1.919
149 HA TYR 19 HA TYR 19 -4.653 0.362 -0.514
150 HB2 TYR 19 2HB TYR 19 -3.550 0.863 -2.698
151 HB3 TYR 19 1HB TYR 19 -4.815 -0.348 -2.842
152 HD1 TYR 19 2HD TYR 19 -7.002 0.292 -3.910
153 HD2 TYR 19 1HD TYR 19 -3.688 2.935 -3.874
154 HE1 TYR 19 2HE TYR 19 -8.049 1.614 -5.684
155 HE2 TYR 19 1HE TYR 19 -4.719 4.266 -5.646
156 HH TYR 19 HH TYR 19 -7.918 4.040 -6.517
157 H CYS 20 H CYS 20 -2.814 2.000 -0.586
158 HA CYS 20 HA CYS 20 -3.707 4.459 0.504
159 HB2 CYS 20 2HB CYS 20 -1.335 5.143 0.506
160 HB3 CYS 20 1HB CYS 20 -1.490 3.501 1.114
161 H CYS 21 H CYS 21 -3.749 6.453 -0.405
162 HA CYS 21 HA CYS 21 -4.911 6.794 -2.809
163 HB2 CYS 21 2HB CYS 21 -3.169 8.767 -1.364
164 HB3 CYS 21 1HB CYS 21 -4.317 9.174 -2.667
165 HA PRO 22 HA PRO 22 -2.138 6.229 -6.103
166 HB2 PRO 22 2HB PRO 22 -3.175 8.014 -7.914
167 HB3 PRO 22 1HB PRO 22 -3.879 6.434 -7.564
168 HG2 PRO 22 2HG PRO 22 -4.682 9.117 -6.553
169 HG3 PRO 22 1HG PRO 22 -5.697 7.744 -7.028
170 HD2 PRO 22 2HD PRO 22 -5.123 8.375 -4.428
171 HD3 PRO 22 1HD PRO 22 -5.450 6.715 -4.958
172 H GLY 23 H GLY 23 -0.245 6.988 -6.776
173 HA2 GLY 23 2HA GLY 23 1.195 8.847 -7.443
174 HA3 GLY 23 1HA GLY 23 0.408 9.797 -6.177
175 H LEU 24 H LEU 24 0.387 7.371 -4.486
176 HA LEU 24 HA LEU 24 2.978 7.882 -3.272
177 HB2 LEU 24 2HB LEU 24 0.821 6.116 -2.133
178 HB3 LEU 24 1HB LEU 24 2.114 6.933 -1.349
179 HG LEU 24 HG LEU 24 -0.073 8.497 -2.668
180 HD11 LEU 24 1HD1 LEU 24 -0.919 8.835 -0.359
181 HD12 LEU 24 2HD1 LEU 24 0.134 7.472 0.120
182 HD13 LEU 24 3HD1 LEU 24 -1.154 7.240 -1.063
183 HD21 LEU 24 3HD2 LEU 24 0.772 10.279 -1.170
184 HD22 LEU 24 1HD2 LEU 24 1.954 9.724 -2.357
185 HD23 LEU 24 2HD2 LEU 24 2.077 9.196 -0.676
186 H ILE 25 H ILE 25 4.221 6.159 -2.548
187 HA ILE 25 HA ILE 25 3.819 3.671 -4.035
188 HB ILE 25 HB ILE 25 6.299 3.432 -4.236
189 HG12 ILE 25 2HG1 ILE 25 6.355 6.366 -3.457
190 HG13 ILE 25 1HG1 ILE 25 6.942 5.039 -2.461
191 HG21 ILE 25 1HG2 ILE 25 6.548 4.961 -6.154
192 HG22 ILE 25 2HG2 ILE 25 5.083 5.802 -5.647
193 HG23 ILE 25 3HG2 ILE 25 5.000 4.115 -6.154
194 HD11 ILE 25 3HD1 ILE 25 8.640 4.539 -4.133
195 HD12 ILE 25 1HD1 ILE 25 8.766 6.205 -3.569
196 HD13 ILE 25 2HD1 ILE 25 8.043 5.858 -5.139
197 H CYS 26 H CYS 26 4.118 1.848 -2.924
198 HA CYS 26 HA CYS 26 4.487 2.130 -0.064
199 HB2 CYS 26 2HB CYS 26 2.680 0.802 -1.257
200 HB3 CYS 26 1HB CYS 26 3.928 -0.399 -1.611
201 H GLY 27 H GLY 27 6.518 2.346 0.439
202 HA2 GLY 27 2HA GLY 27 8.577 1.072 -1.144
203 HA3 GLY 27 1HA GLY 27 8.849 2.213 0.158
204 HA PRO 28 HA PRO 28 9.953 -1.219 2.641
205 HB2 PRO 28 2HB PRO 28 8.995 -0.100 5.120
206 HB3 PRO 28 1HB PRO 28 10.646 -0.130 4.513
207 HG2 PRO 28 2HG PRO 28 9.135 2.174 4.779
208 HG3 PRO 28 1HG PRO 28 10.523 1.999 3.695
209 HD2 PRO 28 2HD PRO 28 7.600 1.897 3.068
210 HD3 PRO 28 1HD PRO 28 8.930 2.553 2.110
211 H PHE 29 H PHE 29 7.088 -0.044 4.328
212 HA PHE 29 HA PHE 29 5.626 -2.439 3.533
213 HB2 PHE 29 2HB PHE 29 6.567 -2.914 5.780
214 HB3 PHE 29 1HB PHE 29 5.847 -1.422 6.372
215 HD1 PHE 29 1HD PHE 29 5.025 -4.754 4.985
216 HD2 PHE 29 2HD PHE 29 3.661 -1.372 7.172
217 HE1 PHE 29 1HE PHE 29 2.972 -5.970 5.580
218 HE2 PHE 29 2HE PHE 29 1.603 -2.580 7.771
219 HZ PHE 29 HZ PHE 29 1.257 -4.877 6.974
220 H VAL 30 H VAL 30 5.785 0.871 4.521
221 HA VAL 30 HA VAL 30 2.923 1.196 4.129
222 HB VAL 30 HB VAL 30 3.172 3.331 5.298
223 HG11 VAL 30 1HG1 VAL 30 4.443 1.054 6.808
224 HG12 VAL 30 2HG1 VAL 30 2.716 1.388 6.654
225 HG13 VAL 30 3HG1 VAL 30 3.757 2.510 7.533
226 HG21 VAL 30 3HG2 VAL 30 5.382 4.015 4.658
227 HG22 VAL 30 1HG2 VAL 30 6.095 2.607 5.451
228 HG23 VAL 30 2HG2 VAL 30 5.348 3.863 6.421
229 H CYS 31 H CYS 31 2.491 3.478 3.188
230 HA CYS 31 HA CYS 31 4.033 3.742 0.725
231 HB2 CYS 31 2HB CYS 31 1.362 4.776 1.609
232 HB3 CYS 31 1HB CYS 31 2.081 5.163 0.033
233 H VAL 32 H VAL 32 4.118 6.011 -0.003
234 HA VAL 32 HA VAL 32 4.627 8.124 1.752
235 HB VAL 32 HB VAL 32 6.551 6.812 2.516
236 HG11 VAL 32 1HG1 VAL 32 6.818 5.305 0.626
237 HG12 VAL 32 2HG1 VAL 32 8.347 6.115 0.969
238 HG13 VAL 32 3HG1 VAL 32 7.354 6.639 -0.391
239 HG21 VAL 32 3HG2 VAL 32 8.390 8.338 1.943
240 HG22 VAL 32 1HG2 VAL 32 6.898 9.198 2.324
241 HG23 VAL 32 2HG2 VAL 32 7.406 9.017 0.643
Start of MODEL 12
1 H1 ARG 1 H ARG 1 -11.207 11.062 -1.751
2 HA ARG 1 HA ARG 1 -11.883 9.392 -3.960
3 HB2 ARG 1 2HB ARG 1 -9.693 10.544 -4.669
4 HB3 ARG 1 1HB ARG 1 -9.005 9.791 -3.229
5 HG2 ARG 1 2HG ARG 1 -8.440 8.543 -5.258
6 HG3 ARG 1 1HG ARG 1 -9.415 7.586 -4.143
7 HD2 ARG 1 2HD ARG 1 -10.139 7.317 -6.484
8 HD3 ARG 1 1HD ARG 1 -11.395 8.005 -5.462
9 HE ARG 1 HE ARG 1 -9.705 9.762 -7.070
10 HH11 ARG 1 1HH1 ARG 1 -12.960 8.473 -6.332
11 HH12 ARG 1 2HH1 ARG 1 -13.752 9.564 -7.385
12 HH21 ARG 1 1HH2 ARG 1 -10.874 11.251 -8.520
13 HH22 ARG 1 2HH2 ARG 1 -12.563 11.140 -8.638
14 H ASP 2 H ASP 2 -11.984 7.400 -3.310
15 HA ASP 2 HA ASP 2 -11.780 7.010 -0.492
16 HB2 ASP 2 2HB ASP 2 -12.687 5.140 -2.685
17 HB3 ASP 2 1HB ASP 2 -12.627 4.717 -0.982
18 H CYS 3 H CYS 3 -9.587 7.285 -0.321
19 HA CYS 3 HA CYS 3 -8.132 4.846 -0.762
20 HB2 CYS 3 2HB CYS 3 -6.167 6.113 -1.582
21 HB3 CYS 3 1HB CYS 3 -7.520 6.148 -2.704
22 H GLN 4 H GLN 4 -5.943 5.118 0.407
23 HA GLN 4 HA GLN 4 -6.507 6.544 2.908
24 HB2 GLN 4 2HB GLN 4 -5.540 4.755 4.116
25 HB3 GLN 4 1HB GLN 4 -6.615 4.061 2.909
26 HG2 GLN 4 2HG GLN 4 -4.828 3.447 1.521
27 HG3 GLN 4 1HG GLN 4 -3.644 4.199 2.608
28 HE21 GLN 4 1HE2 GLN 4 -3.838 1.516 1.730
29 HE22 GLN 4 2HE2 GLN 4 -4.034 0.517 3.137
30 H GLU 5 H GLU 5 -4.684 7.138 4.086
31 HA GLU 5 HA GLU 5 -3.000 8.670 2.421
32 HB2 GLU 5 2HB GLU 5 -3.084 8.251 5.361
33 HB3 GLU 5 1HB GLU 5 -2.020 9.448 4.585
34 HG2 GLU 5 2HG GLU 5 -4.090 10.482 3.643
35 HG3 GLU 5 1HG GLU 5 -5.024 9.349 4.617
36 H LYS 6 H LYS 6 -0.613 8.824 3.209
37 HA LYS 6 HA LYS 6 0.525 6.502 2.034
38 HB2 LYS 6 2HB LYS 6 2.691 7.750 2.208
39 HB3 LYS 6 1HB LYS 6 1.424 8.594 1.331
40 HG2 LYS 6 2HG LYS 6 0.879 9.698 3.428
41 HG3 LYS 6 1HG LYS 6 2.392 9.129 4.123
42 HD2 LYS 6 2HD LYS 6 2.108 10.867 1.655
43 HD3 LYS 6 1HD LYS 6 2.479 11.487 3.259
44 HE2 LYS 6 2HE LYS 6 4.551 10.030 3.200
45 HE3 LYS 6 1HE LYS 6 4.136 9.709 1.510
46 HZ1 LYS 6 3HZ LYS 6 5.740 11.518 1.719
47 HZ2 LYS 6 1HZ LYS 6 4.630 12.407 2.614
48 HZ3 LYS 6 2HZ LYS 6 4.324 12.017 1.002
49 H TRP 7 H TRP 7 0.880 7.917 5.248
50 HA TRP 7 HA TRP 7 2.737 5.825 5.959
51 HB2 TRP 7 2HB TRP 7 1.619 8.090 7.611
52 HB3 TRP 7 1HB TRP 7 2.838 6.955 8.182
53 HD1 TRP 7 HD TRP 7 2.526 10.220 6.488
54 HE1 TRP 7 1HE TRP 7 4.780 10.974 5.514
55 HE3 TRP 7 3HE TRP 7 5.098 5.827 6.871
56 HZ2 TRP 7 2HZ TRP 7 7.307 9.871 4.980
57 HZ3 TRP 7 3HZ TRP 7 7.437 5.771 6.086
58 HH2 TRP 7 HH TRP 7 8.504 7.752 5.169
59 H GLU 8 H GLU 8 0.021 5.071 5.331
60 HA GLU 8 HA GLU 8 -1.106 4.108 7.824
61 HB2 GLU 8 2HB GLU 8 -1.949 3.733 4.948
62 HB3 GLU 8 1HB GLU 8 -2.799 3.041 6.318
63 HG2 GLU 8 2HG GLU 8 -2.448 5.975 5.721
64 HG3 GLU 8 1HG GLU 8 -3.905 4.988 5.544
65 H TYR 9 H TYR 9 -1.839 1.656 7.519
66 HA TYR 9 HA TYR 9 0.537 0.142 7.732
67 HB2 TYR 9 2HB TYR 9 -1.580 -0.387 8.923
68 HB3 TYR 9 1HB TYR 9 -2.308 -0.855 7.398
69 HD1 TYR 9 1HD TYR 9 0.150 -1.756 9.949
70 HD2 TYR 9 2HD TYR 9 -1.792 -2.964 6.384
71 HE1 TYR 9 1HE TYR 9 0.978 -4.030 10.289
72 HE2 TYR 9 2HE TYR 9 -0.983 -5.249 6.695
73 HH TYR 9 HH TYR 9 0.359 -6.325 9.607
74 H CYS 10 H CYS 10 -1.692 0.662 5.131
75 HA CYS 10 HA CYS 10 -1.488 0.523 2.904
76 HB2 CYS 10 2HB CYS 10 0.873 1.023 2.975
77 HB3 CYS 10 1HB CYS 10 1.280 -0.629 3.421
78 H ILE 11 H ILE 11 -2.117 -0.873 1.283
79 HA ILE 11 HA ILE 11 -2.403 -3.685 2.084
80 HB ILE 11 HB ILE 11 -4.443 -2.006 0.587
81 HG12 ILE 11 2HG1 ILE 11 -4.638 -3.227 3.353
82 HG13 ILE 11 1HG1 ILE 11 -4.427 -1.514 3.007
83 HG21 ILE 11 1HG2 ILE 11 -5.893 -3.996 0.680
84 HG22 ILE 11 2HG2 ILE 11 -4.574 -4.906 1.415
85 HG23 ILE 11 3HG2 ILE 11 -4.411 -4.297 -0.230
86 HD11 ILE 11 3HD1 ILE 11 -6.808 -3.188 2.237
87 HD12 ILE 11 1HD1 ILE 11 -6.613 -1.466 1.925
88 HD13 ILE 11 2HD1 ILE 11 -6.741 -2.057 3.584
89 H VAL 12 H VAL 12 -1.721 -5.083 0.539
90 HA VAL 12 HA VAL 12 -1.289 -4.042 -2.161
91 HB VAL 12 HB VAL 12 0.501 -6.054 -0.762
92 HG11 VAL 12 1HG1 VAL 12 1.999 -5.737 -2.676
93 HG12 VAL 12 2HG1 VAL 12 0.820 -4.651 -3.410
94 HG13 VAL 12 3HG1 VAL 12 0.419 -6.351 -3.166
95 HG21 VAL 12 3HG2 VAL 12 0.837 -3.881 0.276
96 HG22 VAL 12 1HG2 VAL 12 1.035 -3.127 -1.305
97 HG23 VAL 12 2HG2 VAL 12 2.231 -4.283 -0.725
98 HA PRO 13 HA PRO 13 -4.089 -7.641 -2.527
99 HB2 PRO 13 2HB PRO 13 -4.895 -7.018 -5.072
100 HB3 PRO 13 1HB PRO 13 -5.636 -6.331 -3.623
101 HG2 PRO 13 2HG PRO 13 -3.579 -5.151 -5.444
102 HG3 PRO 13 1HG PRO 13 -4.980 -4.374 -4.688
103 HD2 PRO 13 2HD PRO 13 -2.483 -4.080 -3.755
104 HD3 PRO 13 1HD PRO 13 -3.891 -4.095 -2.674
105 H ILE 14 H ILE 14 -2.153 -6.481 -5.267
106 HA ILE 14 HA ILE 14 -0.929 -9.093 -5.624
107 HB ILE 14 HB ILE 14 -2.273 -7.472 -7.840
108 HG12 ILE 14 2HG1 ILE 14 -2.873 -10.279 -6.863
109 HG13 ILE 14 1HG1 ILE 14 -3.857 -8.857 -6.548
110 HG21 ILE 14 1HG2 ILE 14 -0.623 -9.986 -8.080
111 HG22 ILE 14 2HG2 ILE 14 -0.169 -8.375 -8.635
112 HG23 ILE 14 3HG2 ILE 14 -1.523 -9.220 -9.389
113 HD11 ILE 14 3HD1 ILE 14 -4.343 -8.664 -8.926
114 HD12 ILE 14 1HD1 ILE 14 -4.804 -10.249 -8.313
115 HD13 ILE 14 2HD1 ILE 14 -3.326 -10.064 -9.258
116 H LEU 15 H LEU 15 1.199 -8.831 -6.304
117 HA LEU 15 HA LEU 15 2.486 -6.472 -5.700
118 HB2 LEU 15 2HB LEU 15 4.518 -7.370 -6.645
119 HB3 LEU 15 1HB LEU 15 3.672 -8.626 -5.781
120 HG LEU 15 HG LEU 15 3.734 -8.353 -8.800
121 HD11 LEU 15 1HD1 LEU 15 5.272 -10.199 -6.988
122 HD12 LEU 15 2HD1 LEU 15 5.936 -8.850 -7.910
123 HD13 LEU 15 3HD1 LEU 15 5.266 -10.248 -8.750
124 HD21 LEU 15 3HD2 LEU 15 2.769 -10.599 -7.028
125 HD22 LEU 15 1HD2 LEU 15 2.873 -10.659 -8.789
126 HD23 LEU 15 2HD2 LEU 15 1.755 -9.544 -8.011
127 H GLY 16 H GLY 16 2.637 -4.637 -6.583
128 HA2 GLY 16 2HA GLY 16 3.268 -3.225 -8.412
129 HA3 GLY 16 1HA GLY 16 2.440 -4.338 -9.497
130 H PHE 17 H PHE 17 0.442 -4.311 -7.008
131 HA PHE 17 HA PHE 17 -0.945 -1.850 -7.765
132 HB2 PHE 17 2HB PHE 17 -2.155 -4.579 -7.222
133 HB3 PHE 17 1HB PHE 17 -3.078 -3.097 -7.426
134 HD1 PHE 17 2HD PHE 17 -3.281 -2.059 -9.616
135 HD2 PHE 17 1HD PHE 17 -1.173 -5.712 -9.090
136 HE1 PHE 17 2HE PHE 17 -3.353 -2.444 -12.039
137 HE2 PHE 17 1HE PHE 17 -1.244 -6.105 -11.514
138 HZ PHE 17 HZ PHE 17 -2.335 -4.462 -12.994
139 H VAL 18 H VAL 18 -1.391 -0.629 -6.035
140 HA VAL 18 HA VAL 18 -1.386 -1.928 -3.421
141 HB VAL 18 HB VAL 18 -0.107 -0.060 -2.430
142 HG11 VAL 18 1HG1 VAL 18 1.110 -2.058 -3.058
143 HG12 VAL 18 2HG1 VAL 18 2.112 -0.625 -3.310
144 HG13 VAL 18 3HG1 VAL 18 1.348 -1.421 -4.683
145 HG21 VAL 18 3HG2 VAL 18 0.324 0.863 -5.278
146 HG22 VAL 18 1HG2 VAL 18 1.123 1.530 -3.854
147 HG23 VAL 18 2HG2 VAL 18 -0.621 1.703 -4.050
148 H TYR 19 H TYR 19 -2.715 -0.983 -1.892
149 HA TYR 19 HA TYR 19 -4.419 1.075 -3.035
150 HB2 TYR 19 2HB TYR 19 -5.094 -0.930 -0.880
151 HB3 TYR 19 1HB TYR 19 -6.117 0.436 -1.300
152 HD1 TYR 19 2HD TYR 19 -6.226 0.554 -4.106
153 HD2 TYR 19 1HD TYR 19 -5.991 -2.915 -1.663
154 HE1 TYR 19 2HE TYR 19 -7.259 -0.765 -5.890
155 HE2 TYR 19 1HE TYR 19 -7.021 -4.240 -3.449
156 HH TYR 19 HH TYR 19 -8.454 -3.867 -5.437
157 H CYS 20 H CYS 20 -3.734 2.847 -2.576
158 HA CYS 20 HA CYS 20 -3.898 4.004 -0.031
159 HB2 CYS 20 2HB CYS 20 -1.212 3.913 -1.511
160 HB3 CYS 20 1HB CYS 20 -1.606 5.116 -0.300
161 H CYS 21 H CYS 21 -3.530 6.398 -0.574
162 HA CYS 21 HA CYS 21 -4.919 7.053 -2.900
163 HB2 CYS 21 2HB CYS 21 -3.124 8.736 -1.168
164 HB3 CYS 21 1HB CYS 21 -4.075 9.398 -2.510
165 HA PRO 22 HA PRO 22 -2.229 6.576 -6.231
166 HB2 PRO 22 2HB PRO 22 -3.005 8.641 -7.863
167 HB3 PRO 22 1HB PRO 22 -3.918 7.143 -7.666
168 HG2 PRO 22 2HG PRO 22 -4.370 9.810 -6.411
169 HG3 PRO 22 1HG PRO 22 -5.550 8.627 -7.001
170 HD2 PRO 22 2HD PRO 22 -4.938 8.947 -4.364
171 HD3 PRO 22 1HD PRO 22 -5.467 7.401 -5.051
172 H GLY 23 H GLY 23 -0.231 7.116 -6.771
173 HA2 GLY 23 2HA GLY 23 1.451 8.758 -7.325
174 HA3 GLY 23 1HA GLY 23 0.658 9.852 -6.188
175 H LEU 24 H LEU 24 0.386 7.312 -4.466
176 HA LEU 24 HA LEU 24 2.894 7.797 -3.067
177 HB2 LEU 24 2HB LEU 24 0.631 6.063 -2.082
178 HB3 LEU 24 1HB LEU 24 1.919 6.807 -1.209
179 HG LEU 24 HG LEU 24 -0.224 8.431 -2.531
180 HD11 LEU 24 1HD1 LEU 24 0.058 7.482 0.284
181 HD12 LEU 24 2HD1 LEU 24 -1.261 7.150 -0.860
182 HD13 LEU 24 3HD1 LEU 24 -1.032 8.778 -0.224
183 HD21 LEU 24 3HD2 LEU 24 1.971 9.114 -0.580
184 HD22 LEU 24 1HD2 LEU 24 0.648 10.189 -1.052
185 HD23 LEU 24 2HD2 LEU 24 1.806 9.649 -2.262
186 H ILE 25 H ILE 25 4.111 6.064 -2.342
187 HA ILE 25 HA ILE 25 3.784 3.632 -3.940
188 HB ILE 25 HB ILE 25 6.257 3.354 -3.854
189 HG12 ILE 25 2HG1 ILE 25 6.288 6.250 -2.949
190 HG13 ILE 25 1HG1 ILE 25 6.659 4.874 -1.922
191 HG21 ILE 25 1HG2 ILE 25 5.247 5.822 -5.265
192 HG22 ILE 25 2HG2 ILE 25 5.210 4.169 -5.878
193 HG23 ILE 25 3HG2 ILE 25 6.755 4.989 -5.644
194 HD11 ILE 25 3HD1 ILE 25 8.672 5.999 -2.694
195 HD12 ILE 25 1HD1 ILE 25 8.192 5.709 -4.366
196 HD13 ILE 25 2HD1 ILE 25 8.583 4.349 -3.315
197 H CYS 26 H CYS 26 3.840 1.775 -2.855
198 HA CYS 26 HA CYS 26 4.197 1.940 0.037
199 HB2 CYS 26 2HB CYS 26 2.199 0.820 -1.053
200 HB3 CYS 26 1HB CYS 26 3.297 -0.458 -1.589
201 H GLY 27 H GLY 27 6.259 2.132 0.309
202 HA2 GLY 27 2HA GLY 27 8.128 0.534 -1.273
203 HA3 GLY 27 1HA GLY 27 8.520 1.933 -0.285
204 HA PRO 28 HA PRO 28 10.328 -0.577 2.794
205 HB2 PRO 28 2HB PRO 28 9.260 0.604 5.086
206 HB3 PRO 28 1HB PRO 28 10.694 1.167 4.224
207 HG2 PRO 28 2HG PRO 28 7.874 2.144 4.063
208 HG3 PRO 28 1HG PRO 28 9.384 3.072 4.034
209 HD2 PRO 28 2HD PRO 28 8.010 2.620 1.799
210 HD3 PRO 28 1HD PRO 28 9.786 2.572 1.798
211 H PHE 29 H PHE 29 6.923 0.103 3.305
212 HA PHE 29 HA PHE 29 6.038 -2.513 3.468
213 HB2 PHE 29 2HB PHE 29 7.275 -2.503 5.648
214 HB3 PHE 29 1HB PHE 29 6.336 -1.103 6.143
215 HD1 PHE 29 2HD PHE 29 4.043 -1.326 6.749
216 HD2 PHE 29 1HD PHE 29 6.327 -4.689 5.604
217 HE1 PHE 29 2HE PHE 29 2.311 -2.812 7.725
218 HE2 PHE 29 1HE PHE 29 4.626 -6.199 6.564
219 HZ PHE 29 HZ PHE 29 2.612 -5.252 7.629
220 H VAL 30 H VAL 30 5.876 0.821 4.444
221 HA VAL 30 HA VAL 30 2.981 0.872 4.142
222 HB VAL 30 HB VAL 30 3.118 3.020 5.355
223 HG11 VAL 30 1HG1 VAL 30 2.810 0.989 6.641
224 HG12 VAL 30 2HG1 VAL 30 3.776 2.160 7.537
225 HG13 VAL 30 3HG1 VAL 30 4.562 0.778 6.764
226 HG21 VAL 30 3HG2 VAL 30 5.234 3.730 6.398
227 HG22 VAL 30 1HG2 VAL 30 5.339 3.747 4.636
228 HG23 VAL 30 2HG2 VAL 30 6.077 2.435 5.554
229 H CYS 31 H CYS 31 2.309 3.151 3.286
230 HA CYS 31 HA CYS 31 3.704 3.568 0.794
231 HB2 CYS 31 2HB CYS 31 1.075 4.589 1.882
232 HB3 CYS 31 1HB CYS 31 1.757 5.141 0.344
233 H VAL 32 H VAL 32 3.739 6.009 0.164
234 HA VAL 32 HA VAL 32 4.566 7.921 1.898
235 HB VAL 32 HB VAL 32 6.320 6.435 2.702
236 HG11 VAL 32 1HG1 VAL 32 6.593 4.975 0.752
237 HG12 VAL 32 2HG1 VAL 32 8.153 5.641 1.235
238 HG13 VAL 32 3HG1 VAL 32 7.306 6.306 -0.161
239 HG21 VAL 32 3HG2 VAL 32 8.299 7.832 2.296
240 HG22 VAL 32 1HG2 VAL 32 6.852 8.783 2.626
241 HG23 VAL 32 2HG2 VAL 32 7.446 8.630 0.971
Start of MODEL 13
1 H1 ARG 1 H ARG 1 -14.592 1.665 -0.723
2 HA ARG 1 HA ARG 1 -14.762 3.598 1.173
3 HB2 ARG 1 2HB ARG 1 -12.307 1.882 1.471
4 HB3 ARG 1 1HB ARG 1 -12.452 3.507 2.092
5 HG2 ARG 1 2HG ARG 1 -14.281 2.810 3.559
6 HG3 ARG 1 1HG ARG 1 -14.217 1.183 2.884
7 HD2 ARG 1 2HD ARG 1 -13.080 1.314 5.056
8 HD3 ARG 1 1HD ARG 1 -11.972 0.881 3.760
9 HE ARG 1 HE ARG 1 -11.917 3.649 4.078
10 HH11 ARG 1 1HH1 ARG 1 -10.961 0.773 5.962
11 HH12 ARG 1 2HH1 ARG 1 -9.670 1.579 6.732
12 HH21 ARG 1 1HH2 ARG 1 -10.122 4.690 5.136
13 HH22 ARG 1 2HH2 ARG 1 -9.194 3.819 6.268
14 H ASP 2 H ASP 2 -12.797 5.065 0.929
15 HA ASP 2 HA ASP 2 -12.096 5.307 -1.893
16 HB2 ASP 2 2HB ASP 2 -13.007 7.237 -0.518
17 HB3 ASP 2 1HB ASP 2 -11.558 7.142 0.472
18 H CYS 3 H CYS 3 -9.727 6.719 -0.597
19 HA CYS 3 HA CYS 3 -8.058 4.306 -0.460
20 HB2 CYS 3 2HB CYS 3 -6.202 5.669 -1.390
21 HB3 CYS 3 1HB CYS 3 -7.548 5.508 -2.505
22 H GLN 4 H GLN 4 -5.880 4.917 0.587
23 HA GLN 4 HA GLN 4 -6.470 6.363 3.100
24 HB2 GLN 4 2HB GLN 4 -5.280 4.676 4.314
25 HB3 GLN 4 1HB GLN 4 -6.435 3.878 3.253
26 HG2 GLN 4 2HG GLN 4 -4.743 3.318 1.688
27 HG3 GLN 4 1HG GLN 4 -3.523 4.171 2.637
28 HE21 GLN 4 1HE2 GLN 4 -3.631 1.465 1.782
29 HE22 GLN 4 2HE2 GLN 4 -3.607 0.476 3.194
30 H GLU 5 H GLU 5 -4.561 7.045 4.182
31 HA GLU 5 HA GLU 5 -3.050 8.614 2.378
32 HB2 GLU 5 2HB GLU 5 -2.945 8.225 5.315
33 HB3 GLU 5 1HB GLU 5 -1.955 9.442 4.470
34 HG2 GLU 5 2HG GLU 5 -4.144 10.365 3.634
35 HG3 GLU 5 1HG GLU 5 -4.930 9.251 4.748
36 H LYS 6 H LYS 6 -0.600 8.858 3.063
37 HA LYS 6 HA LYS 6 0.530 6.532 1.876
38 HB2 LYS 6 2HB LYS 6 2.713 7.786 1.925
39 HB3 LYS 6 1HB LYS 6 1.391 8.618 1.118
40 HG2 LYS 6 2HG LYS 6 0.960 9.746 3.191
41 HG3 LYS 6 1HG LYS 6 2.502 9.192 3.847
42 HD2 LYS 6 2HD LYS 6 2.102 10.893 1.361
43 HD3 LYS 6 1HD LYS 6 2.584 11.530 2.929
44 HE2 LYS 6 2HE LYS 6 4.653 10.117 2.774
45 HE3 LYS 6 1HE LYS 6 4.113 9.650 1.157
46 HZ1 LYS 6 3HZ LYS 6 4.232 11.928 0.457
47 HZ2 LYS 6 1HZ LYS 6 5.716 11.439 1.060
48 HZ3 LYS 6 2HZ LYS 6 4.726 12.429 1.988
49 H TRP 7 H TRP 7 1.000 7.986 5.067
50 HA TRP 7 HA TRP 7 2.820 5.865 5.761
51 HB2 TRP 7 2HB TRP 7 1.741 8.151 7.410
52 HB3 TRP 7 1HB TRP 7 2.978 7.018 7.955
53 HD1 TRP 7 HD TRP 7 2.592 10.260 6.236
54 HE1 TRP 7 1HE TRP 7 4.840 11.011 5.188
55 HE3 TRP 7 3HE TRP 7 5.215 5.905 6.643
56 HZ2 TRP 7 2HZ TRP 7 7.343 9.931 4.629
57 HZ3 TRP 7 3HZ TRP 7 7.537 5.846 5.822
58 HH2 TRP 7 HH TRP 7 8.571 7.830 4.833
59 H GLU 8 H GLU 8 0.003 5.255 5.186
60 HA GLU 8 HA GLU 8 -0.982 4.283 7.727
61 HB2 GLU 8 2HB GLU 8 -2.085 4.112 4.935
62 HB3 GLU 8 1HB GLU 8 -2.827 3.333 6.323
63 HG2 GLU 8 2HG GLU 8 -2.438 6.275 5.884
64 HG3 GLU 8 1HG GLU 8 -3.947 5.343 5.857
65 H TYR 9 H TYR 9 -1.849 1.918 7.478
66 HA TYR 9 HA TYR 9 0.271 0.183 7.645
67 HB2 TYR 9 2HB TYR 9 -2.569 -0.507 6.895
68 HB3 TYR 9 1HB TYR 9 -1.370 -1.632 7.519
69 HD1 TYR 9 1HD TYR 9 -0.651 -1.496 9.859
70 HD2 TYR 9 2HD TYR 9 -3.711 1.033 8.339
71 HE1 TYR 9 1HE TYR 9 -1.325 -0.952 12.133
72 HE2 TYR 9 2HE TYR 9 -4.386 1.592 10.605
73 HH TYR 9 HH TYR 9 -2.508 0.836 13.322
74 H CYS 10 H CYS 10 -1.489 1.139 4.827
75 HA CYS 10 HA CYS 10 -1.279 0.823 2.633
76 HB2 CYS 10 2HB CYS 10 1.082 1.251 2.816
77 HB3 CYS 10 1HB CYS 10 1.401 -0.401 3.356
78 H ILE 11 H ILE 11 0.214 -2.163 3.815
79 HA ILE 11 HA ILE 11 -1.773 -3.607 2.249
80 HB ILE 11 HB ILE 11 0.736 -4.584 3.658
81 HG12 ILE 11 2HG1 ILE 11 1.298 -3.203 1.722
82 HG13 ILE 11 1HG1 ILE 11 1.686 -4.887 1.401
83 HG21 ILE 11 1HG2 ILE 11 -1.124 -6.097 1.831
84 HG22 ILE 11 2HG2 ILE 11 -0.929 -6.344 3.566
85 HG23 ILE 11 3HG2 ILE 11 0.405 -6.701 2.469
86 HD11 ILE 11 3HD1 ILE 11 -0.377 -5.079 0.070
87 HD12 ILE 11 1HD1 ILE 11 0.715 -3.839 -0.550
88 HD13 ILE 11 2HD1 ILE 11 -0.706 -3.372 0.375
89 H VAL 12 H VAL 12 -3.366 -4.628 3.260
90 HA VAL 12 HA VAL 12 -3.117 -5.143 6.080
91 HB VAL 12 HB VAL 12 -4.335 -2.998 5.847
92 HG11 VAL 12 1HG1 VAL 12 -5.369 -3.223 3.700
93 HG12 VAL 12 2HG1 VAL 12 -6.598 -2.879 4.920
94 HG13 VAL 12 3HG1 VAL 12 -6.407 -4.518 4.298
95 HG21 VAL 12 3HG2 VAL 12 -5.921 -5.318 6.898
96 HG22 VAL 12 1HG2 VAL 12 -6.376 -3.629 7.173
97 HG23 VAL 12 2HG2 VAL 12 -4.840 -4.242 7.768
98 HA PRO 13 HA PRO 13 -4.366 -8.991 4.292
99 HB2 PRO 13 2HB PRO 13 -4.051 -10.528 6.454
100 HB3 PRO 13 1HB PRO 13 -2.670 -9.811 5.612
101 HG2 PRO 13 2HG PRO 13 -4.042 -8.896 8.110
102 HG3 PRO 13 1HG PRO 13 -2.305 -9.010 7.769
103 HD2 PRO 13 2HD PRO 13 -3.730 -6.687 7.620
104 HD3 PRO 13 1HD PRO 13 -2.273 -7.014 6.658
105 H ILE 14 H ILE 14 -6.457 -7.154 5.738
106 HA ILE 14 HA ILE 14 -8.272 -9.290 6.581
107 HB ILE 14 HB ILE 14 -9.723 -7.611 7.558
108 HG12 ILE 14 2HG1 ILE 14 -7.795 -5.529 6.460
109 HG13 ILE 14 1HG1 ILE 14 -9.416 -5.842 5.874
110 HG21 ILE 14 1HG2 ILE 14 -8.244 -6.687 9.293
111 HG22 ILE 14 2HG2 ILE 14 -6.846 -7.126 8.313
112 HG23 ILE 14 3HG2 ILE 14 -7.905 -8.383 8.951
113 HD11 ILE 14 3HD1 ILE 14 -9.334 -3.857 7.273
114 HD12 ILE 14 1HD1 ILE 14 -8.723 -4.822 8.615
115 HD13 ILE 14 2HD1 ILE 14 -10.348 -5.108 7.993
116 H LEU 15 H LEU 15 -10.515 -9.142 5.829
117 HA LEU 15 HA LEU 15 -10.637 -8.705 3.004
118 HB2 LEU 15 2HB LEU 15 -11.872 -10.537 4.144
119 HB3 LEU 15 1HB LEU 15 -12.826 -9.342 4.995
120 HG LEU 15 HG LEU 15 -13.803 -8.602 2.853
121 HD11 LEU 15 1HD1 LEU 15 -11.971 -9.167 1.357
122 HD12 LEU 15 2HD1 LEU 15 -13.463 -9.947 0.834
123 HD13 LEU 15 3HD1 LEU 15 -12.225 -10.884 1.671
124 HD21 LEU 15 3HD2 LEU 15 -14.025 -11.567 3.358
125 HD22 LEU 15 1HD2 LEU 15 -15.185 -10.580 2.471
126 HD23 LEU 15 2HD2 LEU 15 -14.929 -10.308 4.195
127 H GLY 16 H GLY 16 -11.178 -6.876 2.050
128 HA2 GLY 16 2HA GLY 16 -12.541 -4.864 1.963
129 HA3 GLY 16 1HA GLY 16 -12.360 -4.744 3.716
130 H PHE 17 H PHE 17 -9.906 -5.616 1.436
131 HA PHE 17 HA PHE 17 -7.836 -4.129 2.506
132 HB2 PHE 17 2HB PHE 17 -7.549 -6.051 0.992
133 HB3 PHE 17 1HB PHE 17 -8.195 -5.106 -0.337
134 HD1 PHE 17 2HD PHE 17 -6.843 -3.351 -1.383
135 HD2 PHE 17 1HD PHE 17 -5.302 -5.736 1.785
136 HE1 PHE 17 2HE PHE 17 -4.574 -2.606 -1.932
137 HE2 PHE 17 1HE PHE 17 -3.021 -4.998 1.225
138 HZ PHE 17 HZ PHE 17 -2.661 -3.424 -0.634
139 H VAL 18 H VAL 18 -7.159 -2.095 2.308
140 HA VAL 18 HA VAL 18 -8.549 -0.364 0.433
141 HB VAL 18 HB VAL 18 -7.921 1.538 1.983
142 HG11 VAL 18 1HG1 VAL 18 -9.731 -0.616 3.055
143 HG12 VAL 18 2HG1 VAL 18 -10.172 0.659 1.918
144 HG13 VAL 18 3HG1 VAL 18 -9.732 1.067 3.577
145 HG21 VAL 18 3HG2 VAL 18 -7.330 -0.726 3.902
146 HG22 VAL 18 1HG2 VAL 18 -7.424 0.984 4.329
147 HG23 VAL 18 2HG2 VAL 18 -6.149 0.412 3.252
148 H TYR 19 H TYR 19 -7.429 1.051 -0.731
149 HA TYR 19 HA TYR 19 -4.644 0.309 -1.221
150 HB2 TYR 19 2HB TYR 19 -6.460 2.014 -2.934
151 HB3 TYR 19 1HB TYR 19 -5.036 1.115 -3.436
152 HD1 TYR 19 2HD TYR 19 -8.603 0.882 -2.565
153 HD2 TYR 19 1HD TYR 19 -5.207 -1.276 -3.955
154 HE1 TYR 19 2HE TYR 19 -10.056 -0.958 -3.201
155 HE2 TYR 19 1HE TYR 19 -6.680 -3.145 -4.608
156 HH TYR 19 HH TYR 19 -10.078 -2.820 -4.722
157 H CYS 20 H CYS 20 -3.049 1.994 -1.147
158 HA CYS 20 HA CYS 20 -3.964 4.365 0.170
159 HB2 CYS 20 2HB CYS 20 -1.630 5.086 0.347
160 HB3 CYS 20 1HB CYS 20 -1.771 3.417 0.864
161 H CYS 21 H CYS 21 -3.856 6.355 -0.542
162 HA CYS 21 HA CYS 21 -5.009 6.881 -2.961
163 HB2 CYS 21 2HB CYS 21 -3.426 8.702 -1.176
164 HB3 CYS 21 1HB CYS 21 -4.466 9.271 -2.491
165 HA PRO 22 HA PRO 22 -2.220 6.861 -6.309
166 HB2 PRO 22 2HB PRO 22 -2.933 9.131 -7.688
167 HB3 PRO 22 1HB PRO 22 -3.848 7.618 -7.711
168 HG2 PRO 22 2HG PRO 22 -4.312 10.078 -6.074
169 HG3 PRO 22 1HG PRO 22 -5.489 9.073 -6.940
170 HD2 PRO 22 2HD PRO 22 -5.138 8.846 -4.291
171 HD3 PRO 22 1HD PRO 22 -5.461 7.417 -5.295
172 H GLY 23 H GLY 23 -0.291 7.614 -7.048
173 HA2 GLY 23 2HA GLY 23 1.447 9.160 -7.339
174 HA3 GLY 23 1HA GLY 23 0.701 10.199 -6.132
175 H LEU 24 H LEU 24 0.455 7.482 -4.598
176 HA LEU 24 HA LEU 24 2.969 7.890 -3.184
177 HB2 LEU 24 2HB LEU 24 0.734 6.092 -2.248
178 HB3 LEU 24 1HB LEU 24 2.003 6.850 -1.368
179 HG LEU 24 HG LEU 24 -0.167 8.476 -2.641
180 HD11 LEU 24 1HD1 LEU 24 -1.208 7.098 -1.040
181 HD12 LEU 24 2HD1 LEU 24 -1.045 8.710 -0.339
182 HD13 LEU 24 3HD1 LEU 24 0.062 7.407 0.137
183 HD21 LEU 24 3HD2 LEU 24 1.831 9.728 -2.290
184 HD22 LEU 24 1HD2 LEU 24 2.005 9.118 -0.647
185 HD23 LEU 24 2HD2 LEU 24 0.667 10.194 -1.049
186 H ILE 25 H ILE 25 4.126 6.069 -2.465
187 HA ILE 25 HA ILE 25 3.805 3.657 -4.085
188 HB ILE 25 HB ILE 25 6.331 3.472 -4.104
189 HG12 ILE 25 2HG1 ILE 25 6.176 6.401 -3.322
190 HG13 ILE 25 1HG1 ILE 25 6.812 5.103 -2.324
191 HG21 ILE 25 1HG2 ILE 25 5.116 4.068 -6.101
192 HG22 ILE 25 2HG2 ILE 25 6.627 4.975 -6.026
193 HG23 ILE 25 3HG2 ILE 25 5.102 5.765 -5.623
194 HD11 ILE 25 3HD1 ILE 25 8.613 4.758 -3.929
195 HD12 ILE 25 1HD1 ILE 25 8.593 6.414 -3.324
196 HD13 ILE 25 2HD1 ILE 25 7.968 6.055 -4.935
197 H CYS 26 H CYS 26 3.993 1.791 -2.967
198 HA CYS 26 HA CYS 26 4.399 2.004 -0.083
199 HB2 CYS 26 2HB CYS 26 2.402 0.807 -1.183
200 HB3 CYS 26 1HB CYS 26 3.551 -0.457 -1.621
201 H GLY 27 H GLY 27 6.433 2.089 0.310
202 HA2 GLY 27 2HA GLY 27 8.293 0.508 -1.279
203 HA3 GLY 27 1HA GLY 27 8.721 1.808 -0.179
204 HA PRO 28 HA PRO 28 9.917 -1.160 2.750
205 HB2 PRO 28 2HB PRO 28 9.208 0.009 5.148
206 HB3 PRO 28 1HB PRO 28 10.638 0.447 4.214
207 HG2 PRO 28 2HG PRO 28 8.014 1.848 4.412
208 HG3 PRO 28 1HG PRO 28 9.636 2.523 4.203
209 HD2 PRO 28 2HD PRO 28 7.786 2.277 2.183
210 HD3 PRO 28 1HD PRO 28 9.535 2.338 1.927
211 H PHE 29 H PHE 29 7.232 -0.075 4.760
212 HA PHE 29 HA PHE 29 5.825 -2.555 4.072
213 HB2 PHE 29 2HB PHE 29 5.949 -1.224 6.802
214 HB3 PHE 29 1HB PHE 29 4.956 -2.609 6.397
215 HD1 PHE 29 1HD PHE 29 6.031 -4.791 5.889
216 HD2 PHE 29 2HD PHE 29 8.247 -1.458 7.337
217 HE1 PHE 29 1HE PHE 29 7.852 -6.296 6.553
218 HE2 PHE 29 2HE PHE 29 10.077 -2.962 8.007
219 HZ PHE 29 HZ PHE 29 9.880 -5.386 7.614
220 H VAL 30 H VAL 30 5.814 0.791 4.187
221 HA VAL 30 HA VAL 30 2.904 0.916 4.013
222 HB VAL 30 HB VAL 30 2.912 3.037 5.191
223 HG11 VAL 30 1HG1 VAL 30 4.396 0.935 6.757
224 HG12 VAL 30 2HG1 VAL 30 2.649 1.057 6.549
225 HG13 VAL 30 3HG1 VAL 30 3.516 2.305 7.441
226 HG21 VAL 30 3HG2 VAL 30 5.903 2.667 5.422
227 HG22 VAL 30 1HG2 VAL 30 4.970 3.861 6.332
228 HG23 VAL 30 2HG2 VAL 30 5.044 3.947 4.574
229 H CYS 31 H CYS 31 2.368 3.240 3.137
230 HA CYS 31 HA CYS 31 3.813 3.587 0.632
231 HB2 CYS 31 2HB CYS 31 1.202 4.697 1.665
232 HB3 CYS 31 1HB CYS 31 1.893 5.120 0.092
233 H VAL 32 H VAL 32 3.863 5.999 -0.003
234 HA VAL 32 HA VAL 32 4.682 7.920 1.713
235 HB VAL 32 HB VAL 32 6.459 6.440 2.507
236 HG11 VAL 32 1HG1 VAL 32 8.238 5.610 1.010
237 HG12 VAL 32 2HG1 VAL 32 7.369 6.264 -0.377
238 HG13 VAL 32 3HG1 VAL 32 6.663 4.949 0.564
239 HG21 VAL 32 3HG2 VAL 32 8.428 7.820 2.003
240 HG22 VAL 32 1HG2 VAL 32 6.994 8.785 2.360
241 HG23 VAL 32 2HG2 VAL 32 7.527 8.584 0.690
Start of MODEL 14
1 H1 ARG 1 H ARG 1 -14.962 8.348 -3.195
2 HA ARG 1 HA ARG 1 -14.150 5.875 -3.237
3 HB2 ARG 1 2HB ARG 1 -12.964 6.239 -5.367
4 HB3 ARG 1 1HB ARG 1 -11.969 7.467 -4.597
5 HG2 ARG 1 2HG ARG 1 -10.961 5.785 -3.164
6 HG3 ARG 1 1HG ARG 1 -12.008 4.546 -3.856
7 HD2 ARG 1 2HD ARG 1 -9.791 4.445 -4.854
8 HD3 ARG 1 1HD ARG 1 -10.989 4.920 -6.052
9 HE ARG 1 HE ARG 1 -9.748 7.189 -4.857
10 HH11 ARG 1 1HH1 ARG 1 -9.274 4.696 -7.303
11 HH12 ARG 1 2HH1 ARG 1 -8.145 5.576 -8.209
12 HH21 ARG 1 1HH2 ARG 1 -8.228 8.434 -6.099
13 HH22 ARG 1 2HH2 ARG 1 -7.555 7.781 -7.518
14 H ASP 2 H ASP 2 -12.957 5.387 -1.444
15 HA ASP 2 HA ASP 2 -11.785 7.639 0.027
16 HB2 ASP 2 2HB ASP 2 -13.705 6.842 1.277
17 HB3 ASP 2 1HB ASP 2 -13.176 5.175 1.126
18 H CYS 3 H CYS 3 -9.686 7.458 -0.556
19 HA CYS 3 HA CYS 3 -8.439 4.825 -0.298
20 HB2 CYS 3 2HB CYS 3 -6.485 5.885 -1.404
21 HB3 CYS 3 1HB CYS 3 -7.936 5.984 -2.394
22 H GLN 4 H GLN 4 -6.079 5.058 0.670
23 HA GLN 4 HA GLN 4 -6.494 6.554 3.172
24 HB2 GLN 4 2HB GLN 4 -5.550 4.762 4.418
25 HB3 GLN 4 1HB GLN 4 -6.617 4.023 3.238
26 HG2 GLN 4 2HG GLN 4 -4.815 3.411 1.843
27 HG3 GLN 4 1HG GLN 4 -3.652 4.206 2.911
28 HE21 GLN 4 1HE2 GLN 4 -3.720 1.520 2.065
29 HE22 GLN 4 2HE2 GLN 4 -3.919 0.501 3.431
30 H GLU 5 H GLU 5 -4.602 7.242 4.197
31 HA GLU 5 HA GLU 5 -2.999 8.647 2.365
32 HB2 GLU 5 2HB GLU 5 -2.932 8.363 5.312
33 HB3 GLU 5 1HB GLU 5 -1.764 9.381 4.453
34 HG2 GLU 5 2HG GLU 5 -3.797 10.563 3.488
35 HG3 GLU 5 1HG GLU 5 -4.747 9.679 4.682
36 H LYS 6 H LYS 6 -0.535 8.827 2.959
37 HA LYS 6 HA LYS 6 0.522 6.500 1.804
38 HB2 LYS 6 2HB LYS 6 2.718 7.714 1.887
39 HB3 LYS 6 1HB LYS 6 1.412 8.637 1.153
40 HG2 LYS 6 2HG LYS 6 1.041 9.533 3.431
41 HG3 LYS 6 1HG LYS 6 2.659 8.994 3.840
42 HD2 LYS 6 2HD LYS 6 1.956 10.913 1.597
43 HD3 LYS 6 1HD LYS 6 2.545 11.397 3.181
44 HE2 LYS 6 2HE LYS 6 4.628 10.103 2.715
45 HE3 LYS 6 1HE LYS 6 3.997 9.809 1.089
46 HZ1 LYS 6 3HZ LYS 6 4.542 12.465 2.260
47 HZ2 LYS 6 1HZ LYS 6 3.976 12.191 0.691
48 HZ3 LYS 6 2HZ LYS 6 5.514 11.676 1.138
49 H TRP 7 H TRP 7 0.963 7.883 5.032
50 HA TRP 7 HA TRP 7 2.778 5.776 5.781
51 HB2 TRP 7 2HB TRP 7 1.590 8.029 7.402
52 HB3 TRP 7 1HB TRP 7 2.852 6.943 7.976
53 HD1 TRP 7 HD TRP 7 2.374 10.176 6.251
54 HE1 TRP 7 1HE TRP 7 4.610 11.015 5.264
55 HE3 TRP 7 3HE TRP 7 5.141 5.928 6.736
56 HZ2 TRP 7 2HZ TRP 7 7.144 10.024 4.766
57 HZ3 TRP 7 3HZ TRP 7 7.493 5.963 5.958
58 HH2 TRP 7 HH TRP 7 8.456 7.972 4.999
59 H GLU 8 H GLU 8 -0.053 5.115 5.153
60 HA GLU 8 HA GLU 8 -1.167 4.216 7.682
61 HB2 GLU 8 2HB GLU 8 -2.149 3.911 4.849
62 HB3 GLU 8 1HB GLU 8 -3.033 3.409 6.280
63 HG2 GLU 8 2HG GLU 8 -2.206 6.220 5.652
64 HG3 GLU 8 1HG GLU 8 -3.803 5.541 5.368
65 H TYR 9 H TYR 9 -2.341 1.833 6.768
66 HA TYR 9 HA TYR 9 -0.363 -0.079 7.338
67 HB2 TYR 9 2HB TYR 9 -2.996 -0.595 5.960
68 HB3 TYR 9 1HB TYR 9 -2.066 -1.717 6.945
69 HD1 TYR 9 1HD TYR 9 -1.810 -1.188 9.415
70 HD2 TYR 9 2HD TYR 9 -4.614 0.784 6.905
71 HE1 TYR 9 1HE TYR 9 -3.046 -0.483 11.372
72 HE2 TYR 9 2HE TYR 9 -5.870 1.505 8.844
73 HH TYR 9 HH TYR 9 -4.644 1.303 12.016
74 H CYS 10 H CYS 10 -1.604 1.261 4.429
75 HA CYS 10 HA CYS 10 -1.184 1.112 2.258
76 HB2 CYS 10 2HB CYS 10 1.157 1.247 2.611
77 HB3 CYS 10 1HB CYS 10 1.278 -0.451 3.091
78 H ILE 11 H ILE 11 -0.118 -2.175 3.120
79 HA ILE 11 HA ILE 11 -2.224 -3.172 1.345
80 HB ILE 11 HB ILE 11 0.228 -4.576 2.458
81 HG12 ILE 11 2HG1 ILE 11 -0.234 -3.530 -0.349
82 HG13 ILE 11 1HG1 ILE 11 0.838 -2.813 0.844
83 HG21 ILE 11 1HG2 ILE 11 -1.748 -5.488 0.364
84 HG22 ILE 11 2HG2 ILE 11 -1.592 -6.124 2.000
85 HG23 ILE 11 3HG2 ILE 11 -0.283 -6.352 0.839
86 HD11 ILE 11 3HD1 ILE 11 2.083 -4.118 -0.775
87 HD12 ILE 11 1HD1 ILE 11 1.132 -5.549 -0.373
88 HD13 ILE 11 2HD1 ILE 11 2.203 -4.834 0.831
89 H VAL 12 H VAL 12 -3.834 -4.345 2.288
90 HA VAL 12 HA VAL 12 -3.467 -5.056 5.103
91 HB VAL 12 HB VAL 12 -6.109 -4.203 3.859
92 HG11 VAL 12 1HG1 VAL 12 -6.345 -5.703 5.752
93 HG12 VAL 12 2HG1 VAL 12 -6.895 -4.082 6.176
94 HG13 VAL 12 3HG1 VAL 12 -5.323 -4.653 6.734
95 HG21 VAL 12 3HG2 VAL 12 -4.281 -2.579 5.635
96 HG22 VAL 12 1HG2 VAL 12 -5.902 -2.104 5.132
97 HG23 VAL 12 2HG2 VAL 12 -4.618 -2.267 3.933
98 HA PRO 13 HA PRO 13 -4.123 -9.060 3.274
99 HB2 PRO 13 2HB PRO 13 -4.322 -10.508 5.578
100 HB3 PRO 13 1HB PRO 13 -2.785 -9.934 4.923
101 HG2 PRO 13 2HG PRO 13 -4.467 -8.772 7.107
102 HG3 PRO 13 1HG PRO 13 -2.705 -8.959 7.029
103 HD2 PRO 13 2HD PRO 13 -3.939 -6.607 6.554
104 HD3 PRO 13 1HD PRO 13 -2.439 -7.072 5.727
105 H ILE 14 H ILE 14 -6.333 -7.554 5.415
106 HA ILE 14 HA ILE 14 -8.390 -9.455 4.616
107 HB ILE 14 HB ILE 14 -9.732 -8.625 6.559
108 HG12 ILE 14 2HG1 ILE 14 -7.125 -7.320 7.390
109 HG13 ILE 14 1HG1 ILE 14 -8.573 -6.464 6.879
110 HG21 ILE 14 1HG2 ILE 14 -8.488 -9.899 8.255
111 HG22 ILE 14 2HG2 ILE 14 -7.078 -9.897 7.195
112 HG23 ILE 14 3HG2 ILE 14 -8.553 -10.725 6.698
113 HD11 ILE 14 3HD1 ILE 14 -8.325 -6.437 9.290
114 HD12 ILE 14 1HD1 ILE 14 -8.313 -8.201 9.322
115 HD13 ILE 14 2HD1 ILE 14 -9.766 -7.338 8.819
116 H LEU 15 H LEU 15 -10.322 -8.674 3.843
117 HA LEU 15 HA LEU 15 -10.008 -6.158 2.491
118 HB2 LEU 15 2HB LEU 15 -12.239 -8.180 2.334
119 HB3 LEU 15 1HB LEU 15 -12.055 -6.776 1.302
120 HG LEU 15 HG LEU 15 -10.140 -9.103 1.428
121 HD11 LEU 15 1HD1 LEU 15 -12.104 -8.287 -0.685
122 HD12 LEU 15 2HD1 LEU 15 -12.241 -9.691 0.375
123 HD13 LEU 15 3HD1 LEU 15 -10.940 -9.605 -0.813
124 HD21 LEU 15 3HD2 LEU 15 -8.959 -7.050 0.907
125 HD22 LEU 15 1HD2 LEU 15 -10.160 -6.647 -0.324
126 HD23 LEU 15 2HD2 LEU 15 -9.108 -8.042 -0.540
127 H GLY 16 H GLY 16 -12.168 -4.822 2.264
128 HA2 GLY 16 2HA GLY 16 -13.854 -3.690 3.455
129 HA3 GLY 16 1HA GLY 16 -13.266 -4.422 4.952
130 H PHE 17 H PHE 17 -10.741 -3.581 3.134
131 HA PHE 17 HA PHE 17 -10.433 -0.899 4.230
132 HB2 PHE 17 2HB PHE 17 -8.381 -3.129 4.147
133 HB3 PHE 17 1HB PHE 17 -7.967 -1.443 4.427
134 HD1 PHE 17 1HD PHE 17 -9.694 -4.388 5.828
135 HD2 PHE 17 2HD PHE 17 -8.332 -0.419 6.534
136 HE1 PHE 17 1HE PHE 17 -10.100 -4.680 8.230
137 HE2 PHE 17 2HE PHE 17 -8.736 -0.704 8.937
138 HZ PHE 17 HZ PHE 17 -9.620 -2.834 9.792
139 H VAL 18 H VAL 18 -8.401 0.075 2.959
140 HA VAL 18 HA VAL 18 -8.714 -0.652 0.145
141 HB VAL 18 HB VAL 18 -10.143 1.309 0.847
142 HG11 VAL 18 1HG1 VAL 18 -7.520 2.705 1.251
143 HG12 VAL 18 2HG1 VAL 18 -8.705 2.292 2.485
144 HG13 VAL 18 3HG1 VAL 18 -9.109 3.478 1.244
145 HG21 VAL 18 3HG2 VAL 18 -8.028 1.921 -1.226
146 HG22 VAL 18 1HG2 VAL 18 -9.576 2.749 -1.073
147 HG23 VAL 18 2HG2 VAL 18 -9.530 1.039 -1.505
148 H TYR 19 H TYR 19 -6.894 0.440 -1.133
149 HA TYR 19 HA TYR 19 -4.428 0.248 0.364
150 HB2 TYR 19 2HB TYR 19 -5.053 0.117 -2.587
151 HB3 TYR 19 1HB TYR 19 -3.404 0.346 -2.009
152 HD1 TYR 19 1HD TYR 19 -6.324 -1.913 -1.302
153 HD2 TYR 19 2HD TYR 19 -2.111 -1.563 -1.806
154 HE1 TYR 19 1HE TYR 19 -6.089 -4.321 -0.961
155 HE2 TYR 19 2HE TYR 19 -1.875 -3.979 -1.472
156 HH TYR 19 HH TYR 19 -4.503 -6.109 -1.485
157 H CYS 20 H CYS 20 -2.665 1.866 -0.374
158 HA CYS 20 HA CYS 20 -3.698 4.341 0.515
159 HB2 CYS 20 2HB CYS 20 -1.429 5.233 0.289
160 HB3 CYS 20 1HB CYS 20 -1.415 3.675 1.098
161 H CYS 21 H CYS 21 -3.730 6.290 -0.441
162 HA CYS 21 HA CYS 21 -4.986 6.591 -2.848
163 HB2 CYS 21 2HB CYS 21 -3.260 8.514 -1.327
164 HB3 CYS 21 1HB CYS 21 -4.334 8.995 -2.660
165 HA PRO 22 HA PRO 22 -2.002 6.333 -6.089
166 HB2 PRO 22 2HB PRO 22 -2.957 8.206 -7.828
167 HB3 PRO 22 1HB PRO 22 -3.712 6.623 -7.599
168 HG2 PRO 22 2HG PRO 22 -4.460 9.268 -6.432
169 HG3 PRO 22 1HG PRO 22 -5.508 7.999 -7.094
170 HD2 PRO 22 2HD PRO 22 -5.114 8.326 -4.425
171 HD3 PRO 22 1HD PRO 22 -5.398 6.731 -5.147
172 H GLY 23 H GLY 23 -0.170 7.296 -6.807
173 HA2 GLY 23 2HA GLY 23 1.300 9.113 -7.223
174 HA3 GLY 23 1HA GLY 23 0.365 10.091 -6.091
175 H LEU 24 H LEU 24 0.716 7.098 -4.828
176 HA LEU 24 HA LEU 24 3.044 7.946 -3.244
177 HB2 LEU 24 2HB LEU 24 0.878 6.089 -2.252
178 HB3 LEU 24 1HB LEU 24 2.130 6.900 -1.384
179 HG LEU 24 HG LEU 24 -0.061 8.453 -2.712
180 HD11 LEU 24 1HD1 LEU 24 -0.974 8.694 -0.432
181 HD12 LEU 24 2HD1 LEU 24 0.158 7.413 0.075
182 HD13 LEU 24 3HD1 LEU 24 -1.095 7.078 -1.122
183 HD21 LEU 24 3HD2 LEU 24 0.710 10.205 -1.134
184 HD22 LEU 24 1HD2 LEU 24 1.926 9.734 -2.323
185 HD23 LEU 24 2HD2 LEU 24 2.049 9.146 -0.674
186 H ILE 25 H ILE 25 4.336 6.231 -2.501
187 HA ILE 25 HA ILE 25 4.128 3.829 -4.178
188 HB ILE 25 HB ILE 25 6.588 3.624 -4.113
189 HG12 ILE 25 2HG1 ILE 25 6.591 6.404 -2.898
190 HG13 ILE 25 1HG1 ILE 25 6.952 4.928 -2.011
191 HG21 ILE 25 1HG2 ILE 25 5.589 6.241 -5.218
192 HG22 ILE 25 2HG2 ILE 25 5.556 4.678 -6.030
193 HG23 ILE 25 3HG2 ILE 25 7.099 5.458 -5.674
194 HD11 ILE 25 3HD1 ILE 25 8.895 4.549 -3.433
195 HD12 ILE 25 1HD1 ILE 25 8.973 6.120 -2.636
196 HD13 ILE 25 2HD1 ILE 25 8.520 6.015 -4.338
197 H CYS 26 H CYS 26 4.322 1.899 -3.157
198 HA CYS 26 HA CYS 26 4.488 2.084 -0.241
199 HB2 CYS 26 2HB CYS 26 2.473 1.016 -1.359
200 HB3 CYS 26 1HB CYS 26 3.552 -0.285 -1.866
201 H GLY 27 H GLY 27 6.435 1.856 0.411
202 HA2 GLY 27 2HA GLY 27 8.255 0.151 -1.168
203 HA3 GLY 27 1HA GLY 27 8.718 1.558 -0.213
204 HA PRO 28 HA PRO 28 10.147 -0.875 3.036
205 HB2 PRO 28 2HB PRO 28 9.195 0.514 5.235
206 HB3 PRO 28 1HB PRO 28 10.629 0.958 4.305
207 HG2 PRO 28 2HG PRO 28 7.844 2.032 4.138
208 HG3 PRO 28 1HG PRO 28 9.385 2.904 4.051
209 HD2 PRO 28 2HD PRO 28 7.960 2.369 1.857
210 HD3 PRO 28 1HD PRO 28 9.733 2.305 1.833
211 H PHE 29 H PHE 29 6.771 0.023 3.318
212 HA PHE 29 HA PHE 29 5.666 -2.458 3.793
213 HB2 PHE 29 2HB PHE 29 6.830 -2.388 5.984
214 HB3 PHE 29 1HB PHE 29 6.159 -0.798 6.299
215 HD1 PHE 29 1HD PHE 29 5.475 -4.374 6.168
216 HD2 PHE 29 2HD PHE 29 3.895 -0.544 6.981
217 HE1 PHE 29 1HE PHE 29 3.563 -5.421 7.315
218 HE2 PHE 29 2HE PHE 29 1.962 -1.559 8.142
219 HZ PHE 29 HZ PHE 29 1.800 -4.012 8.306
220 H VAL 30 H VAL 30 5.806 0.935 4.463
221 HA VAL 30 HA VAL 30 2.930 1.238 4.107
222 HB VAL 30 HB VAL 30 3.251 3.464 5.144
223 HG11 VAL 30 1HG1 VAL 30 4.510 1.289 6.791
224 HG12 VAL 30 2HG1 VAL 30 2.770 1.518 6.555
225 HG13 VAL 30 3HG1 VAL 30 3.712 2.743 7.397
226 HG21 VAL 30 3HG2 VAL 30 5.530 3.936 4.428
227 HG22 VAL 30 1HG2 VAL 30 6.134 2.611 5.426
228 HG23 VAL 30 2HG2 VAL 30 5.420 4.023 6.189
229 H CYS 31 H CYS 31 2.521 3.531 3.141
230 HA CYS 31 HA CYS 31 4.010 3.704 0.655
231 HB2 CYS 31 2HB CYS 31 1.366 4.853 1.530
232 HB3 CYS 31 1HB CYS 31 2.092 5.153 -0.060
233 H VAL 32 H VAL 32 4.040 6.140 -0.048
234 HA VAL 32 HA VAL 32 4.725 8.079 1.721
235 HB VAL 32 HB VAL 32 6.514 6.601 2.534
236 HG11 VAL 32 1HG1 VAL 32 7.531 6.545 -0.313
237 HG12 VAL 32 2HG1 VAL 32 6.835 5.188 0.572
238 HG13 VAL 32 3HG1 VAL 32 8.375 5.877 1.085
239 HG21 VAL 32 3HG2 VAL 32 7.595 8.873 0.868
240 HG22 VAL 32 1HG2 VAL 32 8.471 8.047 2.160
241 HG23 VAL 32 2HG2 VAL 32 7.008 8.948 2.532
Start of MODEL 15
1 H1 ARG 1 H ARG 1 -11.597 11.094 -4.221
2 HA ARG 1 HA ARG 1 -11.130 8.469 -5.314
3 HB2 ARG 1 2HB ARG 1 -8.886 10.339 -4.549
4 HB3 ARG 1 1HB ARG 1 -8.701 8.631 -4.891
5 HG2 ARG 1 2HG ARG 1 -9.586 10.742 -6.855
6 HG3 ARG 1 1HG ARG 1 -7.974 10.040 -6.751
7 HD2 ARG 1 2HD ARG 1 -10.534 8.607 -7.454
8 HD3 ARG 1 1HD ARG 1 -9.214 8.993 -8.551
9 HE ARG 1 HE ARG 1 -9.027 7.094 -6.307
10 HH11 ARG 1 1HH1 ARG 1 -7.828 8.149 -9.465
11 HH12 ARG 1 2HH1 ARG 1 -7.099 6.662 -9.826
12 HH21 ARG 1 1HH2 ARG 1 -8.037 5.055 -6.812
13 HH22 ARG 1 2HH2 ARG 1 -7.203 4.875 -8.286
14 H ASP 2 H ASP 2 -11.870 7.304 -3.618
15 HA ASP 2 HA ASP 2 -11.267 8.237 -0.942
16 HB2 ASP 2 2HB ASP 2 -13.559 7.410 -1.342
17 HB3 ASP 2 1HB ASP 2 -12.901 5.831 -1.780
18 H CYS 3 H CYS 3 -9.438 7.736 -0.195
19 HA CYS 3 HA CYS 3 -8.347 5.086 -0.519
20 HB2 CYS 3 2HB CYS 3 -6.197 6.110 -1.326
21 HB3 CYS 3 1HB CYS 3 -7.521 6.103 -2.491
22 H GLN 4 H GLN 4 -6.024 5.261 0.540
23 HA GLN 4 HA GLN 4 -6.496 6.640 3.095
24 HB2 GLN 4 2HB GLN 4 -5.623 4.782 4.279
25 HB3 GLN 4 1HB GLN 4 -6.656 4.104 3.029
26 HG2 GLN 4 2HG GLN 4 -4.785 3.560 1.662
27 HG3 GLN 4 1HG GLN 4 -3.671 4.278 2.828
28 HE21 GLN 4 1HE2 GLN 4 -3.702 1.654 1.785
29 HE22 GLN 4 2HE2 GLN 4 -3.941 0.551 3.092
30 H GLU 5 H GLU 5 -4.595 7.109 4.230
31 HA GLU 5 HA GLU 5 -2.921 8.694 2.715
32 HB2 GLU 5 2HB GLU 5 -3.041 7.832 5.533
33 HB3 GLU 5 1HB GLU 5 -1.713 8.819 4.921
34 HG2 GLU 5 2HG GLU 5 -4.486 9.475 4.339
35 HG3 GLU 5 1HG GLU 5 -3.815 9.994 5.897
36 H LYS 6 H LYS 6 -0.660 8.728 2.999
37 HA LYS 6 HA LYS 6 0.467 6.434 1.816
38 HB2 LYS 6 2HB LYS 6 2.642 7.694 1.932
39 HB3 LYS 6 1HB LYS 6 1.340 8.537 1.109
40 HG2 LYS 6 2HG LYS 6 0.863 9.605 3.234
41 HG3 LYS 6 1HG LYS 6 2.427 9.074 3.854
42 HD2 LYS 6 2HD LYS 6 1.972 10.808 1.396
43 HD3 LYS 6 1HD LYS 6 2.432 11.431 2.973
44 HE2 LYS 6 2HE LYS 6 4.549 10.104 2.807
45 HE3 LYS 6 1HE LYS 6 4.018 9.603 1.200
46 HZ1 LYS 6 3HZ LYS 6 4.158 11.765 0.388
47 HZ2 LYS 6 1HZ LYS 6 5.582 11.519 1.223
48 HZ3 LYS 6 2HZ LYS 6 4.360 12.455 1.900
49 H TRP 7 H TRP 7 0.868 7.816 5.049
50 HA TRP 7 HA TRP 7 2.710 5.711 5.684
51 HB2 TRP 7 2HB TRP 7 1.585 7.930 7.389
52 HB3 TRP 7 1HB TRP 7 2.820 6.790 7.932
53 HD1 TRP 7 HD TRP 7 2.454 10.077 6.297
54 HE1 TRP 7 1HE TRP 7 4.718 10.879 5.323
55 HE3 TRP 7 3HE TRP 7 5.090 5.740 6.606
56 HZ2 TRP 7 2HZ TRP 7 7.223 9.831 4.761
57 HZ3 TRP 7 3HZ TRP 7 7.433 5.727 5.799
58 HH2 TRP 7 HH TRP 7 8.448 7.745 4.899
59 H GLU 8 H GLU 8 -0.102 4.988 5.058
60 HA GLU 8 HA GLU 8 -1.035 3.854 7.533
61 HB2 GLU 8 2HB GLU 8 -2.148 3.733 4.745
62 HB3 GLU 8 1HB GLU 8 -2.851 2.894 6.119
63 HG2 GLU 8 2HG GLU 8 -2.569 5.853 5.736
64 HG3 GLU 8 1HG GLU 8 -4.056 4.896 5.760
65 H TYR 9 H TYR 9 -1.761 1.531 7.316
66 HA TYR 9 HA TYR 9 0.446 -0.058 7.586
67 HB2 TYR 9 2HB TYR 9 -2.259 -1.143 6.818
68 HB3 TYR 9 1HB TYR 9 -1.030 -1.898 7.824
69 HD1 TYR 9 1HD TYR 9 -0.487 -0.827 10.067
70 HD2 TYR 9 2HD TYR 9 -3.896 0.235 7.765
71 HE1 TYR 9 1HE TYR 9 -1.494 0.168 12.039
72 HE2 TYR 9 2HE TYR 9 -4.931 1.232 9.724
73 HH TYR 9 HH TYR 9 -4.812 1.150 12.110
74 H CYS 10 H CYS 10 -1.716 0.107 4.784
75 HA CYS 10 HA CYS 10 -1.450 -0.274 2.573
76 HB2 CYS 10 2HB CYS 10 0.716 0.914 2.785
77 HB3 CYS 10 1HB CYS 10 1.511 -0.614 3.150
78 H ILE 11 H ILE 11 -1.066 -2.581 4.798
79 HA ILE 11 HA ILE 11 -0.487 -4.711 2.894
80 HB ILE 11 HB ILE 11 -0.413 -6.218 4.855
81 HG12 ILE 11 2HG1 ILE 11 -0.807 -3.691 6.488
82 HG13 ILE 11 1HG1 ILE 11 -2.001 -4.970 6.301
83 HG21 ILE 11 1HG2 ILE 11 1.662 -5.327 5.819
84 HG22 ILE 11 2HG2 ILE 11 1.320 -3.764 5.076
85 HG23 ILE 11 3HG2 ILE 11 1.621 -5.176 4.062
86 HD11 ILE 11 3HD1 ILE 11 -0.506 -6.531 7.429
87 HD12 ILE 11 1HD1 ILE 11 -0.838 -5.125 8.437
88 HD13 ILE 11 2HD1 ILE 11 0.704 -5.260 7.592
89 H VAL 12 H VAL 12 -1.874 -6.795 3.537
90 HA VAL 12 HA VAL 12 -4.668 -5.900 3.443
91 HB VAL 12 HB VAL 12 -3.517 -8.447 2.282
92 HG11 VAL 12 1HG1 VAL 12 -5.845 -8.690 2.942
93 HG12 VAL 12 2HG1 VAL 12 -5.704 -8.683 1.184
94 HG13 VAL 12 3HG1 VAL 12 -6.273 -7.244 2.028
95 HG21 VAL 12 3HG2 VAL 12 -3.909 -7.441 0.089
96 HG22 VAL 12 1HG2 VAL 12 -2.734 -6.520 1.028
97 HG23 VAL 12 2HG2 VAL 12 -4.394 -5.937 0.869
98 HA PRO 13 HA PRO 13 -4.472 -8.351 7.298
99 HB2 PRO 13 2HB PRO 13 -6.602 -6.539 8.157
100 HB3 PRO 13 1HB PRO 13 -5.008 -6.775 8.876
101 HG2 PRO 13 2HG PRO 13 -5.667 -4.488 7.617
102 HG3 PRO 13 1HG PRO 13 -4.029 -5.163 7.560
103 HD2 PRO 13 2HD PRO 13 -6.202 -5.355 5.506
104 HD3 PRO 13 1HD PRO 13 -4.478 -4.961 5.300
105 H ILE 14 H ILE 14 -7.239 -7.042 5.591
106 HA ILE 14 HA ILE 14 -8.645 -9.561 5.606
107 HB ILE 14 HB ILE 14 -10.785 -8.335 6.240
108 HG12 ILE 14 2HG1 ILE 14 -8.819 -6.267 7.268
109 HG13 ILE 14 1HG1 ILE 14 -10.004 -6.042 5.991
110 HG21 ILE 14 1HG2 ILE 14 -8.732 -8.684 8.412
111 HG22 ILE 14 2HG2 ILE 14 -9.812 -9.921 7.771
112 HG23 ILE 14 3HG2 ILE 14 -10.472 -8.551 8.665
113 HD11 ILE 14 3HD1 ILE 14 -10.715 -4.990 8.052
114 HD12 ILE 14 1HD1 ILE 14 -10.598 -6.533 8.899
115 HD13 ILE 14 2HD1 ILE 14 -11.800 -6.317 7.629
116 H LEU 15 H LEU 15 -10.543 -9.325 4.073
117 HA LEU 15 HA LEU 15 -9.634 -7.721 1.873
118 HB2 LEU 15 2HB LEU 15 -11.443 -8.782 0.543
119 HB3 LEU 15 1HB LEU 15 -10.349 -9.925 1.275
120 HG LEU 15 HG LEU 15 -12.139 -10.328 3.035
121 HD11 LEU 15 1HD1 LEU 15 -13.470 -8.321 2.704
122 HD12 LEU 15 2HD1 LEU 15 -14.426 -9.782 2.470
123 HD13 LEU 15 3HD1 LEU 15 -13.882 -8.854 1.073
124 HD21 LEU 15 3HD2 LEU 15 -13.418 -11.807 1.582
125 HD22 LEU 15 1HD2 LEU 15 -11.692 -11.882 1.237
126 HD23 LEU 15 2HD2 LEU 15 -12.766 -10.980 0.167
127 H GLY 16 H GLY 16 -11.418 -6.563 0.555
128 HA2 GLY 16 2HA GLY 16 -12.850 -4.766 0.464
129 HA3 GLY 16 1HA GLY 16 -13.443 -5.231 2.062
130 H PHE 17 H PHE 17 -10.151 -4.603 1.198
131 HA PHE 17 HA PHE 17 -9.968 -2.701 3.359
132 HB2 PHE 17 2HB PHE 17 -7.526 -2.848 3.008
133 HB3 PHE 17 1HB PHE 17 -8.249 -4.429 3.246
134 HD1 PHE 17 2HD PHE 17 -8.379 -6.023 1.385
135 HD2 PHE 17 1HD PHE 17 -6.501 -2.231 0.912
136 HE1 PHE 17 2HE PHE 17 -7.321 -6.807 -0.690
137 HE2 PHE 17 1HE PHE 17 -5.439 -3.018 -1.164
138 HZ PHE 17 HZ PHE 17 -5.848 -5.305 -1.965
139 H VAL 18 H VAL 18 -8.519 -0.817 2.946
140 HA VAL 18 HA VAL 18 -9.279 0.509 0.445
141 HB VAL 18 HB VAL 18 -8.328 1.740 3.066
142 HG11 VAL 18 1HG1 VAL 18 -7.885 3.143 1.122
143 HG12 VAL 18 2HG1 VAL 18 -9.130 3.855 2.148
144 HG13 VAL 18 3HG1 VAL 18 -9.582 3.039 0.652
145 HG21 VAL 18 3HG2 VAL 18 -10.503 0.650 3.359
146 HG22 VAL 18 1HG2 VAL 18 -11.147 1.571 2.004
147 HG23 VAL 18 2HG2 VAL 18 -10.639 2.403 3.478
148 H TYR 19 H TYR 19 -7.544 1.531 -0.733
149 HA TYR 19 HA TYR 19 -4.902 0.545 0.069
150 HB2 TYR 19 2HB TYR 19 -5.936 -0.309 -2.118
151 HB3 TYR 19 1HB TYR 19 -5.739 1.324 -2.734
152 HD1 TYR 19 1HD TYR 19 -3.816 -1.494 -1.241
153 HD2 TYR 19 2HD TYR 19 -3.701 1.926 -3.775
154 HE1 TYR 19 1HE TYR 19 -1.549 -2.086 -1.912
155 HE2 TYR 19 2HE TYR 19 -1.413 1.339 -4.459
156 HH TYR 19 HH TYR 19 -0.080 -1.688 -3.861
157 H CYS 20 H CYS 20 -3.072 2.063 -0.732
158 HA CYS 20 HA CYS 20 -3.778 4.612 0.347
159 HB2 CYS 20 2HB CYS 20 -1.402 5.203 0.159
160 HB3 CYS 20 1HB CYS 20 -1.611 3.661 0.968
161 H CYS 21 H CYS 21 -3.689 6.499 -0.552
162 HA CYS 21 HA CYS 21 -4.941 6.958 -2.909
163 HB2 CYS 21 2HB CYS 21 -3.068 8.666 -1.349
164 HB3 CYS 21 1HB CYS 21 -4.067 9.283 -2.695
165 HA PRO 22 HA PRO 22 -2.247 6.660 -6.397
166 HB2 PRO 22 2HB PRO 22 -3.195 8.742 -7.919
167 HB3 PRO 22 1HB PRO 22 -4.028 7.192 -7.767
168 HG2 PRO 22 2HG PRO 22 -4.564 9.772 -6.365
169 HG3 PRO 22 1HG PRO 22 -5.711 8.587 -7.016
170 HD2 PRO 22 2HD PRO 22 -5.103 8.752 -4.373
171 HD3 PRO 22 1HD PRO 22 -5.529 7.218 -5.152
172 H GLY 23 H GLY 23 -0.280 7.369 -6.838
173 HA2 GLY 23 2HA GLY 23 1.360 9.061 -7.230
174 HA3 GLY 23 1HA GLY 23 0.471 10.122 -6.141
175 H LEU 24 H LEU 24 0.630 7.008 -4.927
176 HA LEU 24 HA LEU 24 2.954 7.721 -3.265
177 HB2 LEU 24 2HB LEU 24 0.697 5.985 -2.254
178 HB3 LEU 24 1HB LEU 24 1.982 6.738 -1.408
179 HG LEU 24 HG LEU 24 -0.154 8.394 -2.707
180 HD11 LEU 24 1HD1 LEU 24 -1.223 7.062 -1.089
181 HD12 LEU 24 2HD1 LEU 24 -1.003 8.669 -0.380
182 HD13 LEU 24 3HD1 LEU 24 0.075 7.330 0.066
183 HD21 LEU 24 3HD2 LEU 24 1.889 9.603 -2.355
184 HD22 LEU 24 1HD2 LEU 24 2.016 9.011 -0.698
185 HD23 LEU 24 2HD2 LEU 24 0.717 10.114 -1.142
186 H ILE 25 H ILE 25 4.158 5.978 -2.543
187 HA ILE 25 HA ILE 25 3.778 3.501 -4.074
188 HB ILE 25 HB ILE 25 6.247 3.216 -4.055
189 HG12 ILE 25 2HG1 ILE 25 6.294 6.141 -3.263
190 HG13 ILE 25 1HG1 ILE 25 6.766 4.797 -2.232
191 HG21 ILE 25 1HG2 ILE 25 5.180 5.614 -5.542
192 HG22 ILE 25 2HG2 ILE 25 5.125 3.934 -6.075
193 HG23 ILE 25 3HG2 ILE 25 6.675 4.769 -5.941
194 HD11 ILE 25 3HD1 ILE 25 8.114 5.615 -4.795
195 HD12 ILE 25 1HD1 ILE 25 8.597 4.278 -3.750
196 HD13 ILE 25 2HD1 ILE 25 8.693 5.936 -3.160
197 H CYS 26 H CYS 26 4.069 1.611 -2.987
198 HA CYS 26 HA CYS 26 4.248 1.870 -0.087
199 HB2 CYS 26 2HB CYS 26 2.381 0.662 -1.265
200 HB3 CYS 26 1HB CYS 26 3.548 -0.581 -1.727
201 H GLY 27 H GLY 27 6.248 1.969 0.496
202 HA2 GLY 27 2HA GLY 27 8.238 0.439 -1.037
203 HA3 GLY 27 1HA GLY 27 8.546 1.898 -0.110
204 HA PRO 28 HA PRO 28 10.317 -0.401 3.105
205 HB2 PRO 28 2HB PRO 28 9.381 0.877 5.344
206 HB3 PRO 28 1HB PRO 28 10.663 1.510 4.307
207 HG2 PRO 28 2HG PRO 28 7.739 2.170 4.304
208 HG3 PRO 28 1HG PRO 28 9.123 3.274 4.208
209 HD2 PRO 28 2HD PRO 28 7.767 2.612 2.023
210 HD3 PRO 28 1HD PRO 28 9.539 2.746 1.981
211 H PHE 29 H PHE 29 6.878 0.148 3.403
212 HA PHE 29 HA PHE 29 6.100 -2.450 3.986
213 HB2 PHE 29 2HB PHE 29 7.255 -1.985 6.178
214 HB3 PHE 29 1HB PHE 29 6.218 -0.587 6.389
215 HD1 PHE 29 2HD PHE 29 3.768 -0.962 6.680
216 HD2 PHE 29 1HD PHE 29 6.581 -4.110 6.835
217 HE1 PHE 29 2HE PHE 29 2.118 -2.349 7.892
218 HE2 PHE 29 1HE PHE 29 4.953 -5.520 8.043
219 HZ PHE 29 HZ PHE 29 2.722 -4.637 8.576
220 H VAL 30 H VAL 30 5.769 0.952 4.567
221 HA VAL 30 HA VAL 30 2.894 0.893 4.116
222 HB VAL 30 HB VAL 30 2.940 3.132 5.207
223 HG11 VAL 30 1HG1 VAL 30 4.319 1.006 6.847
224 HG12 VAL 30 2HG1 VAL 30 2.576 1.121 6.577
225 HG13 VAL 30 3HG1 VAL 30 3.415 2.384 7.478
226 HG21 VAL 30 3HG2 VAL 30 5.011 3.820 6.392
227 HG22 VAL 30 1HG2 VAL 30 5.178 3.860 4.630
228 HG23 VAL 30 2HG2 VAL 30 5.872 2.533 5.558
229 H CYS 31 H CYS 31 2.271 3.166 3.140
230 HA CYS 31 HA CYS 31 3.765 3.479 0.660
231 HB2 CYS 31 2HB CYS 31 1.107 4.571 1.591
232 HB3 CYS 31 1HB CYS 31 1.836 4.971 0.029
233 H VAL 32 H VAL 32 3.727 5.907 -0.041
234 HA VAL 32 HA VAL 32 4.525 7.855 1.675
235 HB VAL 32 HB VAL 32 6.300 6.393 2.474
236 HG11 VAL 32 1HG1 VAL 32 8.094 5.564 0.976
237 HG12 VAL 32 2HG1 VAL 32 7.200 6.188 -0.411
238 HG13 VAL 32 3HG1 VAL 32 6.520 4.886 0.563
239 HG21 VAL 32 3HG2 VAL 32 8.265 7.770 1.972
240 HG22 VAL 32 1HG2 VAL 32 6.833 8.728 2.337
241 HG23 VAL 32 2HG2 VAL 32 7.370 8.553 0.663
Start of MODEL 16
1 H1 ARG 1 H ARG 1 -9.846 12.049 -0.848
2 HA ARG 1 HA ARG 1 -11.784 10.917 -2.591
3 HB2 ARG 1 2HB ARG 1 -8.861 10.375 -3.113
4 HB3 ARG 1 1HB ARG 1 -10.210 9.516 -3.825
5 HG2 ARG 1 2HG ARG 1 -9.550 12.423 -4.264
6 HG3 ARG 1 1HG ARG 1 -9.206 11.113 -5.386
7 HD2 ARG 1 2HD ARG 1 -11.167 12.117 -6.202
8 HD3 ARG 1 1HD ARG 1 -11.706 10.663 -5.378
9 HE ARG 1 HE ARG 1 -11.754 12.804 -3.581
10 HH11 ARG 1 1HH1 ARG 1 -13.524 11.595 -6.402
11 HH12 ARG 1 2HH1 ARG 1 -14.987 12.377 -6.013
12 HH21 ARG 1 1HH2 ARG 1 -13.782 13.890 -3.044
13 HH22 ARG 1 2HH2 ARG 1 -15.117 13.746 -4.096
14 H ASP 2 H ASP 2 -12.124 8.805 -2.188
15 HA ASP 2 HA ASP 2 -11.411 8.159 0.504
16 HB2 ASP 2 2HB ASP 2 -13.436 7.051 -1.389
17 HB3 ASP 2 1HB ASP 2 -12.990 6.166 0.063
18 H CYS 3 H CYS 3 -9.339 7.825 0.246
19 HA CYS 3 HA CYS 3 -8.601 5.080 -0.331
20 HB2 CYS 3 2HB CYS 3 -6.535 5.935 -1.484
21 HB3 CYS 3 1HB CYS 3 -8.012 6.177 -2.409
22 H GLN 4 H GLN 4 -6.144 4.974 0.483
23 HA GLN 4 HA GLN 4 -6.401 6.280 3.075
24 HB2 GLN 4 2HB GLN 4 -5.367 4.432 4.123
25 HB3 GLN 4 1HB GLN 4 -6.505 3.793 2.947
26 HG2 GLN 4 2HG GLN 4 -4.854 3.242 1.445
27 HG3 GLN 4 1HG GLN 4 -3.589 4.005 2.412
28 HE21 GLN 4 1HE2 GLN 4 -3.889 1.221 1.552
29 HE22 GLN 4 2HE2 GLN 4 -3.885 0.299 3.018
30 H GLU 5 H GLU 5 -4.614 6.948 4.094
31 HA GLU 5 HA GLU 5 -2.991 8.536 2.426
32 HB2 GLU 5 2HB GLU 5 -2.940 8.044 5.373
33 HB3 GLU 5 1HB GLU 5 -1.914 9.232 4.558
34 HG2 GLU 5 2HG GLU 5 -3.935 10.385 3.790
35 HG3 GLU 5 1HG GLU 5 -4.917 9.200 4.649
36 H LYS 6 H LYS 6 -0.629 8.715 2.966
37 HA LYS 6 HA LYS 6 0.485 6.382 1.929
38 HB2 LYS 6 2HB LYS 6 2.656 7.649 1.923
39 HB3 LYS 6 1HB LYS 6 1.324 8.475 1.127
40 HG2 LYS 6 2HG LYS 6 0.937 9.548 3.321
41 HG3 LYS 6 1HG LYS 6 2.572 9.086 3.771
42 HD2 LYS 6 2HD LYS 6 1.793 10.796 1.382
43 HD3 LYS 6 1HD LYS 6 2.422 11.422 2.896
44 HE2 LYS 6 2HE LYS 6 4.523 10.158 2.483
45 HE3 LYS 6 1HE LYS 6 3.848 9.640 0.937
46 HZ1 LYS 6 3HZ LYS 6 3.693 11.982 0.276
47 HZ2 LYS 6 1HZ LYS 6 5.269 11.526 0.628
48 HZ3 LYS 6 2HZ LYS 6 4.419 12.440 1.736
49 H TRP 7 H TRP 7 0.904 7.940 5.071
50 HA TRP 7 HA TRP 7 2.797 5.941 5.835
51 HB2 TRP 7 2HB TRP 7 1.583 8.201 7.413
52 HB3 TRP 7 1HB TRP 7 2.871 7.150 8.010
53 HD1 TRP 7 HD TRP 7 2.362 10.317 6.165
54 HE1 TRP 7 1HE TRP 7 4.572 11.107 5.077
55 HE3 TRP 7 3HE TRP 7 5.148 6.075 6.717
56 HZ2 TRP 7 2HZ TRP 7 7.107 10.109 4.553
57 HZ3 TRP 7 3HZ TRP 7 7.465 6.086 5.879
58 HH2 TRP 7 HH TRP 7 8.404 8.082 4.812
59 H GLU 8 H GLU 8 0.001 5.101 5.272
60 HA GLU 8 HA GLU 8 -0.930 4.058 7.815
61 HB2 GLU 8 2HB GLU 8 -1.928 3.789 4.985
62 HB3 GLU 8 1HB GLU 8 -2.641 2.926 6.335
63 HG2 GLU 8 2HG GLU 8 -2.500 5.895 5.950
64 HG3 GLU 8 1HG GLU 8 -3.927 4.862 5.810
65 H TYR 9 H TYR 9 -1.603 1.552 7.441
66 HA TYR 9 HA TYR 9 0.950 0.284 7.238
67 HB2 TYR 9 2HB TYR 9 -1.771 -0.971 7.667
68 HB3 TYR 9 1HB TYR 9 -0.228 -1.800 7.828
69 HD1 TYR 9 1HD TYR 9 1.433 -0.837 9.563
70 HD2 TYR 9 2HD TYR 9 -2.711 0.097 9.498
71 HE1 TYR 9 1HE TYR 9 1.569 -0.120 11.891
72 HE2 TYR 9 2HE TYR 9 -2.594 0.818 11.825
73 HH TYR 9 HH TYR 9 0.386 1.329 13.416
74 H CYS 10 H CYS 10 -1.337 1.102 5.006
75 HA CYS 10 HA CYS 10 -1.285 1.000 2.757
76 HB2 CYS 10 2HB CYS 10 1.079 1.078 2.873
77 HB3 CYS 10 1HB CYS 10 1.228 -0.631 3.258
78 H ILE 11 H ILE 11 -2.114 -1.364 4.712
79 HA ILE 11 HA ILE 11 -2.677 -3.404 2.692
80 HB ILE 11 HB ILE 11 -2.992 -3.521 5.707
81 HG12 ILE 11 2HG1 ILE 11 -0.880 -4.752 3.928
82 HG13 ILE 11 1HG1 ILE 11 -0.648 -3.346 4.958
83 HG21 ILE 11 1HG2 ILE 11 -3.195 -5.723 3.640
84 HG22 ILE 11 2HG2 ILE 11 -4.537 -5.040 4.557
85 HG23 ILE 11 3HG2 ILE 11 -3.270 -5.945 5.390
86 HD11 ILE 11 3HD1 ILE 11 -1.048 -4.705 6.926
87 HD12 ILE 11 1HD1 ILE 11 0.262 -5.372 5.950
88 HD13 ILE 11 2HD1 ILE 11 -1.340 -6.112 5.901
89 H VAL 12 H VAL 12 -4.677 -3.751 1.969
90 HA VAL 12 HA VAL 12 -6.901 -2.486 3.362
91 HB VAL 12 HB VAL 12 -8.093 -2.340 1.220
92 HG11 VAL 12 1HG1 VAL 12 -6.769 -0.433 1.840
93 HG12 VAL 12 2HG1 VAL 12 -6.745 -0.638 0.088
94 HG13 VAL 12 3HG1 VAL 12 -5.351 -1.124 1.052
95 HG21 VAL 12 3HG2 VAL 12 -7.176 -4.279 0.089
96 HG22 VAL 12 1HG2 VAL 12 -5.596 -3.502 -0.001
97 HG23 VAL 12 2HG2 VAL 12 -6.953 -2.842 -0.913
98 HA PRO 13 HA PRO 13 -8.656 -6.506 3.945
99 HB2 PRO 13 2HB PRO 13 -11.216 -5.858 2.648
100 HB3 PRO 13 1HB PRO 13 -10.872 -6.202 4.345
101 HG2 PRO 13 2HG PRO 13 -11.496 -3.741 3.545
102 HG3 PRO 13 1HG PRO 13 -10.277 -4.010 4.807
103 HD2 PRO 13 2HD PRO 13 -9.895 -3.444 1.889
104 HD3 PRO 13 1HD PRO 13 -9.089 -2.698 3.291
105 H ILE 14 H ILE 14 -7.326 -6.327 1.292
106 HA ILE 14 HA ILE 14 -8.709 -8.570 0.005
107 HB ILE 14 HB ILE 14 -7.342 -6.321 -1.527
108 HG12 ILE 14 2HG1 ILE 14 -10.307 -6.930 -1.347
109 HG13 ILE 14 1HG1 ILE 14 -9.511 -5.597 -0.521
110 HG21 ILE 14 1HG2 ILE 14 -7.197 -8.502 -2.622
111 HG22 ILE 14 2HG2 ILE 14 -8.283 -7.440 -3.517
112 HG23 ILE 14 3HG2 ILE 14 -8.944 -8.705 -2.482
113 HD11 ILE 14 3HD1 ILE 14 -8.919 -4.622 -2.684
114 HD12 ILE 14 1HD1 ILE 14 -10.661 -4.850 -2.527
115 HD13 ILE 14 2HD1 ILE 14 -9.711 -5.969 -3.502
116 H LEU 15 H LEU 15 -7.320 -10.249 -0.151
117 HA LEU 15 HA LEU 15 -4.575 -9.857 0.549
118 HB2 LEU 15 2HB LEU 15 -6.114 -12.315 -0.236
119 HB3 LEU 15 1HB LEU 15 -4.377 -12.353 -0.072
120 HG LEU 15 HG LEU 15 -5.297 -13.238 1.914
121 HD11 LEU 15 1HD1 LEU 15 -3.379 -11.819 2.255
122 HD12 LEU 15 2HD1 LEU 15 -4.471 -11.767 3.637
123 HD13 LEU 15 3HD1 LEU 15 -4.433 -10.423 2.503
124 HD21 LEU 15 3HD2 LEU 15 -6.976 -10.753 2.118
125 HD22 LEU 15 1HD2 LEU 15 -6.863 -12.015 3.347
126 HD23 LEU 15 2HD2 LEU 15 -7.546 -12.385 1.762
127 H GLY 16 H GLY 16 -2.914 -9.610 -0.643
128 HA2 GLY 16 2HA GLY 16 -1.512 -9.788 -2.476
129 HA3 GLY 16 1HA GLY 16 -2.841 -10.469 -3.391
130 H PHE 17 H PHE 17 -4.222 -7.886 -2.115
131 HA PHE 17 HA PHE 17 -3.184 -6.092 -4.169
132 HB2 PHE 17 2HB PHE 17 -5.339 -7.157 -4.864
133 HB3 PHE 17 1HB PHE 17 -6.100 -6.453 -3.448
134 HD1 PHE 17 1HD PHE 17 -4.547 -5.731 -6.692
135 HD2 PHE 17 2HD PHE 17 -6.773 -4.158 -3.434
136 HE1 PHE 17 1HE PHE 17 -5.058 -3.728 -8.018
137 HE2 PHE 17 2HE PHE 17 -7.285 -2.146 -4.761
138 HZ PHE 17 HZ PHE 17 -6.428 -1.931 -7.050
139 H VAL 18 H VAL 18 -2.236 -4.547 -3.014
140 HA VAL 18 HA VAL 18 -3.777 -3.429 -0.814
141 HB VAL 18 HB VAL 18 -1.659 -2.858 0.374
142 HG11 VAL 18 1HG1 VAL 18 -1.140 -5.094 1.228
143 HG12 VAL 18 2HG1 VAL 18 -1.990 -5.806 -0.142
144 HG13 VAL 18 3HG1 VAL 18 -2.879 -4.851 1.041
145 HG21 VAL 18 3HG2 VAL 18 -0.318 -4.626 -1.680
146 HG22 VAL 18 1HG2 VAL 18 0.453 -3.966 -0.239
147 HG23 VAL 18 2HG2 VAL 18 -0.102 -2.884 -1.518
148 H TYR 19 H TYR 19 -4.114 -1.275 -0.919
149 HA TYR 19 HA TYR 19 -2.467 0.184 -2.786
150 HB2 TYR 19 2HB TYR 19 -4.341 1.186 -3.939
151 HB3 TYR 19 1HB TYR 19 -4.474 -0.559 -4.055
152 HD1 TYR 19 2HD TYR 19 -6.266 -1.721 -2.818
153 HD2 TYR 19 1HD TYR 19 -5.973 2.513 -2.795
154 HE1 TYR 19 2HE TYR 19 -8.559 -1.578 -1.983
155 HE2 TYR 19 1HE TYR 19 -8.275 2.678 -1.955
156 HH TYR 19 HH TYR 19 -10.319 1.279 -1.986
157 H CYS 20 H CYS 20 -2.742 2.463 -2.603
158 HA CYS 20 HA CYS 20 -4.119 3.565 -0.300
159 HB2 CYS 20 2HB CYS 20 -2.056 4.939 0.243
160 HB3 CYS 20 1HB CYS 20 -1.873 3.235 0.625
161 H CYS 21 H CYS 21 -3.587 6.136 -0.638
162 HA CYS 21 HA CYS 21 -4.975 6.824 -2.932
163 HB2 CYS 21 2HB CYS 21 -3.118 8.376 -1.187
164 HB3 CYS 21 1HB CYS 21 -4.083 9.151 -2.475
165 HA PRO 22 HA PRO 22 -2.171 6.665 -6.301
166 HB2 PRO 22 2HB PRO 22 -2.953 8.797 -7.815
167 HB3 PRO 22 1HB PRO 22 -3.874 7.294 -7.716
168 HG2 PRO 22 2HG PRO 22 -4.298 9.878 -6.282
169 HG3 PRO 22 1HG PRO 22 -5.492 8.788 -7.013
170 HD2 PRO 22 2HD PRO 22 -5.002 8.844 -4.344
171 HD3 PRO 22 1HD PRO 22 -5.478 7.359 -5.177
172 H GLY 23 H GLY 23 -0.265 7.433 -6.975
173 HA2 GLY 23 2HA GLY 23 1.369 9.106 -7.360
174 HA3 GLY 23 1HA GLY 23 0.612 10.096 -6.119
175 H LEU 24 H LEU 24 0.412 7.511 -4.552
176 HA LEU 24 HA LEU 24 2.955 7.885 -3.177
177 HB2 LEU 24 2HB LEU 24 0.758 6.048 -2.253
178 HB3 LEU 24 1HB LEU 24 2.003 6.839 -1.365
179 HG LEU 24 HG LEU 24 -0.218 8.389 -2.642
180 HD11 LEU 24 1HD1 LEU 24 -1.123 8.555 -0.361
181 HD12 LEU 24 2HD1 LEU 24 0.048 7.319 0.145
182 HD13 LEU 24 3HD1 LEU 24 -1.184 6.937 -1.047
183 HD21 LEU 24 3HD2 LEU 24 1.924 9.102 -0.634
184 HD22 LEU 24 1HD2 LEU 24 0.550 10.138 -1.049
185 HD23 LEU 24 2HD2 LEU 24 1.741 9.707 -2.271
186 H ILE 25 H ILE 25 4.108 6.042 -2.484
187 HA ILE 25 HA ILE 25 3.714 3.623 -4.082
188 HB ILE 25 HB ILE 25 6.225 3.363 -4.085
189 HG12 ILE 25 2HG1 ILE 25 6.190 6.296 -3.309
190 HG13 ILE 25 1HG1 ILE 25 6.711 4.978 -2.272
191 HG21 ILE 25 1HG2 ILE 25 5.078 5.697 -5.594
192 HG22 ILE 25 2HG2 ILE 25 5.092 4.008 -6.105
193 HG23 ILE 25 3HG2 ILE 25 6.605 4.906 -5.973
194 HD11 ILE 25 3HD1 ILE 25 8.014 5.810 -4.851
195 HD12 ILE 25 1HD1 ILE 25 8.557 4.513 -3.786
196 HD13 ILE 25 2HD1 ILE 25 8.589 6.186 -3.226
197 H CYS 26 H CYS 26 3.887 1.767 -2.934
198 HA CYS 26 HA CYS 26 4.200 2.022 -0.057
199 HB2 CYS 26 2HB CYS 26 2.391 0.727 -1.260
200 HB3 CYS 26 1HB CYS 26 3.610 -0.506 -1.624
201 H GLY 27 H GLY 27 6.179 2.220 0.522
202 HA2 GLY 27 2HA GLY 27 8.288 1.091 -1.102
203 HA3 GLY 27 1HA GLY 27 8.504 2.253 0.188
204 HA PRO 28 HA PRO 28 9.838 -1.135 2.620
205 HB2 PRO 28 2HB PRO 28 8.997 -0.042 5.140
206 HB3 PRO 28 1HB PRO 28 10.601 -0.007 4.424
207 HG2 PRO 28 2HG PRO 28 8.994 2.233 4.787
208 HG3 PRO 28 1HG PRO 28 10.361 2.127 3.673
209 HD2 PRO 28 2HD PRO 28 7.441 1.936 3.116
210 HD3 PRO 28 1HD PRO 28 8.743 2.605 2.119
211 H PHE 29 H PHE 29 7.129 -0.065 4.607
212 HA PHE 29 HA PHE 29 5.627 -2.476 3.861
213 HB2 PHE 29 2HB PHE 29 6.689 -2.754 6.112
214 HB3 PHE 29 1HB PHE 29 5.883 -1.283 6.636
215 HD1 PHE 29 1HD PHE 29 5.256 -4.728 5.443
216 HD2 PHE 29 2HD PHE 29 3.708 -1.364 7.529
217 HE1 PHE 29 1HE PHE 29 3.338 -6.076 6.178
218 HE2 PHE 29 2HE PHE 29 1.780 -2.705 8.269
219 HZ PHE 29 HZ PHE 29 1.593 -5.059 7.598
220 H VAL 30 H VAL 30 5.816 0.874 4.438
221 HA VAL 30 HA VAL 30 2.915 1.196 4.337
222 HB VAL 30 HB VAL 30 3.284 3.397 5.341
223 HG11 VAL 30 1HG1 VAL 30 4.083 2.711 7.563
224 HG12 VAL 30 2HG1 VAL 30 4.660 1.192 6.867
225 HG13 VAL 30 3HG1 VAL 30 2.937 1.567 6.866
226 HG21 VAL 30 3HG2 VAL 30 6.209 2.650 5.326
227 HG22 VAL 30 1HG2 VAL 30 5.533 4.038 6.186
228 HG23 VAL 30 2HG2 VAL 30 5.448 3.960 4.427
229 H CYS 31 H CYS 31 2.342 3.316 3.243
230 HA CYS 31 HA CYS 31 3.778 3.604 0.723
231 HB2 CYS 31 2HB CYS 31 1.173 4.663 1.774
232 HB3 CYS 31 1HB CYS 31 1.869 5.218 0.234
233 H VAL 32 H VAL 32 3.876 5.928 0.034
234 HA VAL 32 HA VAL 32 4.629 7.939 1.717
235 HB VAL 32 HB VAL 32 6.400 6.505 2.585
236 HG11 VAL 32 1HG1 VAL 32 7.346 6.200 -0.282
237 HG12 VAL 32 2HG1 VAL 32 6.619 4.931 0.705
238 HG13 VAL 32 3HG1 VAL 32 8.195 5.593 1.142
239 HG21 VAL 32 3HG2 VAL 32 7.480 8.579 0.694
240 HG22 VAL 32 1HG2 VAL 32 8.390 7.852 2.021
241 HG23 VAL 32 2HG2 VAL 32 6.958 8.823 2.362
Start of MODEL 17
1 H1 ARG 1 H ARG 1 -12.751 9.421 -3.453
2 HA ARG 1 HA ARG 1 -13.261 6.849 -4.198
3 HB2 ARG 1 2HB ARG 1 -10.455 7.730 -4.877
4 HB3 ARG 1 1HB ARG 1 -10.971 6.054 -4.751
5 HG2 ARG 1 2HG ARG 1 -12.110 8.057 -6.688
6 HG3 ARG 1 1HG ARG 1 -10.860 6.872 -7.071
7 HD2 ARG 1 2HD ARG 1 -13.649 6.232 -6.101
8 HD3 ARG 1 1HD ARG 1 -13.097 6.130 -7.769
9 HE ARG 1 HE ARG 1 -11.328 4.588 -6.489
10 HH11 ARG 1 1HH1 ARG 1 -14.870 4.573 -6.464
11 HH12 ARG 1 2HH1 ARG 1 -14.977 2.899 -6.196
12 HH21 ARG 1 1HH2 ARG 1 -11.474 2.349 -6.101
13 HH22 ARG 1 2HH2 ARG 1 -12.989 1.590 -5.978
14 H ASP 2 H ASP 2 -12.587 5.421 -2.631
15 HA ASP 2 HA ASP 2 -11.717 6.726 -0.195
16 HB2 ASP 2 2HB ASP 2 -13.698 5.387 0.042
17 HB3 ASP 2 1HB ASP 2 -12.908 3.996 -0.690
18 H CYS 3 H CYS 3 -9.617 6.916 -0.141
19 HA CYS 3 HA CYS 3 -8.064 4.476 -0.357
20 HB2 CYS 3 2HB CYS 3 -6.247 5.744 -1.435
21 HB3 CYS 3 1HB CYS 3 -7.694 5.710 -2.434
22 H GLN 4 H GLN 4 -5.894 4.830 0.699
23 HA GLN 4 HA GLN 4 -6.367 6.383 3.146
24 HB2 GLN 4 2HB GLN 4 -5.256 4.664 4.393
25 HB3 GLN 4 1HB GLN 4 -6.379 3.906 3.275
26 HG2 GLN 4 2HG GLN 4 -4.676 3.307 1.786
27 HG3 GLN 4 1HG GLN 4 -3.455 4.098 2.782
28 HE21 GLN 4 1HE2 GLN 4 -3.750 1.351 1.969
29 HE22 GLN 4 2HE2 GLN 4 -3.822 0.430 3.460
30 H GLU 5 H GLU 5 -4.505 7.130 4.195
31 HA GLU 5 HA GLU 5 -2.943 8.643 2.411
32 HB2 GLU 5 2HB GLU 5 -2.879 8.271 5.365
33 HB3 GLU 5 1HB GLU 5 -1.783 9.391 4.528
34 HG2 GLU 5 2HG GLU 5 -3.854 10.509 3.650
35 HG3 GLU 5 1HG GLU 5 -4.774 9.464 4.716
36 H LYS 6 H LYS 6 -0.489 8.811 3.008
37 HA LYS 6 HA LYS 6 0.416 6.372 1.933
38 HB2 LYS 6 2HB LYS 6 2.476 7.386 1.403
39 HB3 LYS 6 1HB LYS 6 1.228 8.587 1.182
40 HG2 LYS 6 2HG LYS 6 1.949 9.242 3.594
41 HG3 LYS 6 1HG LYS 6 3.457 8.506 3.104
42 HD2 LYS 6 2HD LYS 6 3.201 9.938 0.913
43 HD3 LYS 6 1HD LYS 6 1.978 10.767 1.915
44 HE2 LYS 6 2HE LYS 6 3.569 11.374 3.477
45 HE3 LYS 6 1HE LYS 6 4.846 10.516 2.597
46 HZ1 LYS 6 3HZ LYS 6 4.861 12.904 2.145
47 HZ2 LYS 6 1HZ LYS 6 3.286 12.832 1.572
48 HZ3 LYS 6 2HZ LYS 6 4.527 12.050 0.746
49 H TRP 7 H TRP 7 0.999 7.939 5.014
50 HA TRP 7 HA TRP 7 2.785 5.834 5.835
51 HB2 TRP 7 2HB TRP 7 1.616 8.123 7.421
52 HB3 TRP 7 1HB TRP 7 2.932 7.079 7.944
53 HD1 TRP 7 HD TRP 7 2.272 10.231 5.957
54 HE1 TRP 7 1HE TRP 7 4.418 11.100 4.979
55 HE3 TRP 7 3HE TRP 7 5.290 6.193 6.866
56 HZ2 TRP 7 2HZ TRP 7 7.062 10.254 4.617
57 HZ3 TRP 7 3HZ TRP 7 7.639 6.340 6.122
58 HH2 TRP 7 HH TRP 7 8.494 8.322 5.039
59 H GLU 8 H GLU 8 -0.039 5.256 5.191
60 HA GLU 8 HA GLU 8 -1.164 4.360 7.701
61 HB2 GLU 8 2HB GLU 8 -2.129 4.248 4.867
62 HB3 GLU 8 1HB GLU 8 -2.954 3.419 6.178
63 HG2 GLU 8 2HG GLU 8 -2.465 6.367 5.960
64 HG3 GLU 8 1HG GLU 8 -3.992 5.503 5.702
65 H TYR 9 H TYR 9 -2.266 2.001 7.119
66 HA TYR 9 HA TYR 9 -0.142 0.253 7.619
67 HB2 TYR 9 2HB TYR 9 -2.930 -0.461 6.739
68 HB3 TYR 9 1HB TYR 9 -1.774 -1.516 7.538
69 HD1 TYR 9 2HD TYR 9 -0.855 -0.461 9.848
70 HD2 TYR 9 1HD TYR 9 -4.592 0.418 8.041
71 HE1 TYR 9 2HE TYR 9 -1.729 0.218 12.016
72 HE2 TYR 9 1HE TYR 9 -5.489 1.113 10.208
73 HH TYR 9 HH TYR 9 -3.542 1.699 12.879
74 H CYS 10 H CYS 10 -1.538 1.267 4.643
75 HA CYS 10 HA CYS 10 -1.330 0.684 2.464
76 HB2 CYS 10 2HB CYS 10 1.031 1.233 2.852
77 HB3 CYS 10 1HB CYS 10 1.340 -0.415 3.401
78 H ILE 11 H ILE 11 -2.888 -0.717 2.033
79 HA ILE 11 HA ILE 11 -2.581 -3.441 3.033
80 HB ILE 11 HB ILE 11 -5.071 -2.029 1.997
81 HG12 ILE 11 2HG1 ILE 11 -4.271 -2.773 4.821
82 HG13 ILE 11 1HG1 ILE 11 -4.203 -1.150 4.156
83 HG21 ILE 11 1HG2 ILE 11 -6.290 -3.966 2.921
84 HG22 ILE 11 2HG2 ILE 11 -4.753 -4.730 3.322
85 HG23 ILE 11 3HG2 ILE 11 -5.184 -4.456 1.636
86 HD11 ILE 11 3HD1 ILE 11 -6.690 -2.803 4.536
87 HD12 ILE 11 1HD1 ILE 11 -6.626 -1.166 3.888
88 HD13 ILE 11 2HD1 ILE 11 -6.161 -1.470 5.564
89 H VAL 12 H VAL 12 -2.461 -5.145 1.695
90 HA VAL 12 HA VAL 12 -2.734 -4.620 -1.143
91 HB VAL 12 HB VAL 12 -0.716 -6.146 -1.547
92 HG11 VAL 12 1HG1 VAL 12 -0.628 -3.783 -1.895
93 HG12 VAL 12 2HG1 VAL 12 0.893 -4.304 -1.161
94 HG13 VAL 12 3HG1 VAL 12 -0.329 -3.484 -0.186
95 HG21 VAL 12 3HG2 VAL 12 -0.543 -7.088 0.725
96 HG22 VAL 12 1HG2 VAL 12 -0.170 -5.486 1.356
97 HG23 VAL 12 2HG2 VAL 12 0.954 -6.279 0.253
98 HA PRO 13 HA PRO 13 -5.200 -8.409 -0.317
99 HB2 PRO 13 2HB PRO 13 -6.904 -7.167 -2.379
100 HB3 PRO 13 1HB PRO 13 -7.360 -7.753 -0.778
101 HG2 PRO 13 2HG PRO 13 -7.306 -5.142 -1.312
102 HG3 PRO 13 1HG PRO 13 -6.775 -5.764 0.262
103 HD2 PRO 13 2HD PRO 13 -5.121 -4.939 -2.099
104 HD3 PRO 13 1HD PRO 13 -4.890 -4.536 -0.386
105 H ILE 14 H ILE 14 -4.602 -6.672 -3.322
106 HA ILE 14 HA ILE 14 -4.258 -9.210 -4.743
107 HB ILE 14 HB ILE 14 -4.614 -6.416 -5.879
108 HG12 ILE 14 2HG1 ILE 14 -6.683 -7.163 -4.784
109 HG13 ILE 14 1HG1 ILE 14 -6.883 -7.105 -6.529
110 HG21 ILE 14 1HG2 ILE 14 -3.353 -7.892 -7.352
111 HG22 ILE 14 2HG2 ILE 14 -4.944 -7.538 -8.026
112 HG23 ILE 14 3HG2 ILE 14 -4.639 -9.096 -7.260
113 HD11 ILE 14 3HD1 ILE 14 -6.444 -9.580 -4.865
114 HD12 ILE 14 1HD1 ILE 14 -6.615 -9.546 -6.621
115 HD13 ILE 14 2HD1 ILE 14 -7.964 -9.062 -5.593
116 H LEU 15 H LEU 15 -2.239 -9.777 -5.136
117 HA LEU 15 HA LEU 15 -0.029 -8.182 -4.405
118 HB2 LEU 15 2HB LEU 15 -0.146 -10.717 -6.027
119 HB3 LEU 15 1HB LEU 15 1.329 -9.980 -5.441
120 HG LEU 15 HG LEU 15 -0.874 -11.098 -3.705
121 HD11 LEU 15 1HD1 LEU 15 0.353 -12.828 -4.900
122 HD12 LEU 15 2HD1 LEU 15 0.744 -12.849 -3.181
123 HD13 LEU 15 3HD1 LEU 15 1.878 -12.147 -4.334
124 HD21 LEU 15 3HD2 LEU 15 1.835 -9.957 -2.996
125 HD22 LEU 15 1HD2 LEU 15 0.747 -10.778 -1.875
126 HD23 LEU 15 2HD2 LEU 15 0.265 -9.251 -2.604
127 H GLY 16 H GLY 16 1.071 -6.782 -5.480
128 HA2 GLY 16 2HA GLY 16 2.278 -6.136 -7.451
129 HA3 GLY 16 1HA GLY 16 0.935 -6.751 -8.413
130 H PHE 17 H PHE 17 -0.605 -5.392 -5.990
131 HA PHE 17 HA PHE 17 -0.477 -2.668 -7.048
132 HB2 PHE 17 2HB PHE 17 -2.953 -4.213 -6.239
133 HB3 PHE 17 1HB PHE 17 -2.922 -2.490 -6.572
134 HD1 PHE 17 1HD PHE 17 -2.377 -1.721 -8.895
135 HD2 PHE 17 2HD PHE 17 -3.163 -5.788 -7.946
136 HE1 PHE 17 1HE PHE 17 -2.848 -2.176 -11.256
137 HE2 PHE 17 2HE PHE 17 -3.631 -6.255 -10.313
138 HZ PHE 17 HZ PHE 17 -3.476 -4.449 -11.972
139 H VAL 18 H VAL 18 -0.274 -1.157 -5.491
140 HA VAL 18 HA VAL 18 -0.641 -2.107 -2.759
141 HB VAL 18 HB VAL 18 0.856 -0.369 -1.975
142 HG11 VAL 18 1HG1 VAL 18 1.937 -2.397 -2.545
143 HG12 VAL 18 2HG1 VAL 18 2.980 -1.092 -3.145
144 HG13 VAL 18 3HG1 VAL 18 1.947 -1.979 -4.250
145 HG21 VAL 18 3HG2 VAL 18 0.347 1.400 -3.600
146 HG22 VAL 18 1HG2 VAL 18 1.167 0.483 -4.862
147 HG23 VAL 18 2HG2 VAL 18 2.084 1.123 -3.498
148 H TYR 19 H TYR 19 -2.131 -1.194 -1.463
149 HA TYR 19 HA TYR 19 -3.727 0.772 -2.857
150 HB2 TYR 19 2HB TYR 19 -4.553 -1.237 -0.772
151 HB3 TYR 19 1HB TYR 19 -5.612 0.027 -1.395
152 HD1 TYR 19 2HD TYR 19 -3.663 -2.966 -2.376
153 HD2 TYR 19 1HD TYR 19 -6.733 -0.245 -3.465
154 HE1 TYR 19 2HE TYR 19 -4.266 -4.418 -4.262
155 HE2 TYR 19 1HE TYR 19 -7.346 -1.676 -5.346
156 HH TYR 19 HH TYR 19 -6.262 -3.413 -6.762
157 H CYS 20 H CYS 20 -3.260 2.604 -2.378
158 HA CYS 20 HA CYS 20 -3.947 3.765 0.048
159 HB2 CYS 20 2HB CYS 20 -1.738 4.949 0.368
160 HB3 CYS 20 1HB CYS 20 -1.617 3.232 0.707
161 H CYS 21 H CYS 21 -3.618 6.198 -0.432
162 HA CYS 21 HA CYS 21 -4.955 6.764 -2.788
163 HB2 CYS 21 2HB CYS 21 -3.297 8.553 -1.032
164 HB3 CYS 21 1HB CYS 21 -4.296 9.139 -2.384
165 HA PRO 22 HA PRO 22 -2.156 6.609 -6.088
166 HB2 PRO 22 2HB PRO 22 -3.045 8.660 -7.675
167 HB3 PRO 22 1HB PRO 22 -3.827 7.082 -7.563
168 HG2 PRO 22 2HG PRO 22 -4.541 9.650 -6.231
169 HG3 PRO 22 1HG PRO 22 -5.590 8.394 -6.917
170 HD2 PRO 22 2HD PRO 22 -5.143 8.650 -4.253
171 HD3 PRO 22 1HD PRO 22 -5.474 7.088 -5.009
172 H GLY 23 H GLY 23 -0.304 7.445 -6.861
173 HA2 GLY 23 2HA GLY 23 1.285 9.162 -7.271
174 HA3 GLY 23 1HA GLY 23 0.493 10.140 -6.036
175 H LEU 24 H LEU 24 0.415 7.435 -4.540
176 HA LEU 24 HA LEU 24 2.969 7.916 -3.188
177 HB2 LEU 24 2HB LEU 24 0.753 6.184 -2.134
178 HB3 LEU 24 1HB LEU 24 2.045 6.977 -1.313
179 HG LEU 24 HG LEU 24 -0.127 8.574 -2.609
180 HD11 LEU 24 1HD1 LEU 24 -1.203 7.219 -1.045
181 HD12 LEU 24 2HD1 LEU 24 -0.983 8.796 -0.258
182 HD13 LEU 24 3HD1 LEU 24 0.092 7.427 0.115
183 HD21 LEU 24 3HD2 LEU 24 1.995 9.223 -0.548
184 HD22 LEU 24 1HD2 LEU 24 0.689 10.307 -1.036
185 HD23 LEU 24 2HD2 LEU 24 1.894 9.801 -2.210
186 H ILE 25 H ILE 25 4.177 6.142 -2.583
187 HA ILE 25 HA ILE 25 3.693 3.687 -4.122
188 HB ILE 25 HB ILE 25 6.177 3.434 -4.371
189 HG12 ILE 25 2HG1 ILE 25 6.238 6.316 -3.428
190 HG13 ILE 25 1HG1 ILE 25 6.883 4.934 -2.557
191 HG21 ILE 25 1HG2 ILE 25 4.865 4.203 -6.250
192 HG22 ILE 25 2HG2 ILE 25 6.429 5.020 -6.235
193 HG23 ILE 25 3HG2 ILE 25 4.985 5.869 -5.685
194 HD11 ILE 25 3HD1 ILE 25 8.521 4.597 -4.349
195 HD12 ILE 25 1HD1 ILE 25 8.655 6.196 -3.612
196 HD13 ILE 25 2HD1 ILE 25 7.878 6.010 -5.184
197 H CYS 26 H CYS 26 4.256 1.786 -3.047
198 HA CYS 26 HA CYS 26 4.619 2.186 -0.155
199 HB2 CYS 26 2HB CYS 26 2.547 0.965 -1.137
200 HB3 CYS 26 1HB CYS 26 3.678 -0.336 -1.482
201 H GLY 27 H GLY 27 6.628 2.126 0.320
202 HA2 GLY 27 2HA GLY 27 8.431 0.461 -1.230
203 HA3 GLY 27 1HA GLY 27 8.903 1.684 -0.059
204 HA PRO 28 HA PRO 28 9.887 -1.455 2.798
205 HB2 PRO 28 2HB PRO 28 9.154 -0.223 5.170
206 HB3 PRO 28 1HB PRO 28 10.683 0.038 4.337
207 HG2 PRO 28 2HG PRO 28 8.216 1.709 4.335
208 HG3 PRO 28 1HG PRO 28 9.912 2.211 4.275
209 HD2 PRO 28 2HD PRO 28 8.284 2.217 2.112
210 HD3 PRO 28 1HD PRO 28 10.029 1.928 1.992
211 H PHE 29 H PHE 29 7.101 -0.000 4.404
212 HA PHE 29 HA PHE 29 5.578 -2.440 3.889
213 HB2 PHE 29 2HB PHE 29 6.666 -2.544 6.160
214 HB3 PHE 29 1HB PHE 29 5.774 -1.092 6.589
215 HD1 PHE 29 1HD PHE 29 5.521 -4.662 5.850
216 HD2 PHE 29 2HD PHE 29 3.428 -1.185 7.100
217 HE1 PHE 29 1HE PHE 29 3.629 -6.071 6.576
218 HE2 PHE 29 2HE PHE 29 1.534 -2.575 7.827
219 HZ PHE 29 HZ PHE 29 1.632 -5.024 7.566
220 H VAL 30 H VAL 30 5.791 0.987 4.423
221 HA VAL 30 HA VAL 30 2.911 1.227 4.017
222 HB VAL 30 HB VAL 30 2.984 3.348 5.171
223 HG11 VAL 30 1HG1 VAL 30 3.606 2.643 7.430
224 HG12 VAL 30 2HG1 VAL 30 4.400 1.219 6.750
225 HG13 VAL 30 3HG1 VAL 30 2.658 1.430 6.573
226 HG21 VAL 30 3HG2 VAL 30 5.156 4.183 4.532
227 HG22 VAL 30 1HG2 VAL 30 5.954 2.896 5.438
228 HG23 VAL 30 2HG2 VAL 30 5.056 4.143 6.294
229 H CYS 31 H CYS 31 2.430 3.448 3.029
230 HA CYS 31 HA CYS 31 3.988 3.727 0.594
231 HB2 CYS 31 2HB CYS 31 1.338 4.817 1.501
232 HB3 CYS 31 1HB CYS 31 2.090 5.269 -0.038
233 H VAL 32 H VAL 32 4.459 5.855 -0.136
234 HA VAL 32 HA VAL 32 4.720 7.958 1.694
235 HB VAL 32 HB VAL 32 6.597 6.654 2.522
236 HG11 VAL 32 1HG1 VAL 32 7.640 6.663 -0.317
237 HG12 VAL 32 2HG1 VAL 32 7.042 5.262 0.571
238 HG13 VAL 32 3HG1 VAL 32 8.524 6.067 1.089
239 HG21 VAL 32 3HG2 VAL 32 6.898 9.053 2.489
240 HG22 VAL 32 1HG2 VAL 32 7.557 8.979 0.851
241 HG23 VAL 32 2HG2 VAL 32 8.434 8.246 2.202
Start of MODEL 18
1 H1 ARG 1 H ARG 1 -11.179 10.059 -4.169
2 HA ARG 1 HA ARG 1 -12.295 7.685 -5.157
3 HB2 ARG 1 2HB ARG 1 -9.296 7.931 -5.231
4 HB3 ARG 1 1HB ARG 1 -10.160 6.408 -5.197
5 HG2 ARG 1 2HG ARG 1 -11.233 7.058 -7.353
6 HG3 ARG 1 1HG ARG 1 -10.175 8.471 -7.385
7 HD2 ARG 1 2HD ARG 1 -9.269 6.585 -8.693
8 HD3 ARG 1 1HD ARG 1 -8.216 7.057 -7.358
9 HE ARG 1 HE ARG 1 -10.015 4.993 -6.589
10 HH11 ARG 1 1HH1 ARG 1 -7.076 5.442 -8.507
11 HH12 ARG 1 2HH1 ARG 1 -6.394 3.948 -8.079
12 HH21 ARG 1 1HH2 ARG 1 -9.098 2.887 -6.027
13 HH22 ARG 1 2HH2 ARG 1 -7.585 2.462 -6.677
14 H ASP 2 H ASP 2 -11.920 5.959 -3.765
15 HA ASP 2 HA ASP 2 -11.641 6.902 -1.047
16 HB2 ASP 2 2HB ASP 2 -12.727 4.345 -2.233
17 HB3 ASP 2 1HB ASP 2 -12.485 4.589 -0.509
18 H CYS 3 H CYS 3 -9.651 6.907 -0.350
19 HA CYS 3 HA CYS 3 -8.019 4.541 -0.673
20 HB2 CYS 3 2HB CYS 3 -6.126 5.855 -1.547
21 HB3 CYS 3 1HB CYS 3 -7.474 5.772 -2.675
22 H GLN 4 H GLN 4 -5.870 4.937 0.436
23 HA GLN 4 HA GLN 4 -6.382 6.356 2.967
24 HB2 GLN 4 2HB GLN 4 -5.177 4.600 4.093
25 HB3 GLN 4 1HB GLN 4 -6.253 3.820 2.959
26 HG2 GLN 4 2HG GLN 4 -4.633 3.392 1.428
27 HG3 GLN 4 1HG GLN 4 -3.412 4.257 2.370
28 HE21 GLN 4 1HE2 GLN 4 -2.254 2.499 2.514
29 HE22 GLN 4 2HE2 GLN 4 -2.628 1.136 3.542
30 H GLU 5 H GLU 5 -4.514 7.061 4.047
31 HA GLU 5 HA GLU 5 -2.895 8.683 2.428
32 HB2 GLU 5 2HB GLU 5 -2.949 8.031 5.333
33 HB3 GLU 5 1HB GLU 5 -1.795 9.176 4.640
34 HG2 GLU 5 2HG GLU 5 -4.638 9.315 4.114
35 HG3 GLU 5 1HG GLU 5 -4.044 10.065 5.612
36 H LYS 6 H LYS 6 -0.580 8.785 3.208
37 HA LYS 6 HA LYS 6 0.603 6.475 1.968
38 HB2 LYS 6 2HB LYS 6 2.771 7.725 2.047
39 HB3 LYS 6 1HB LYS 6 1.469 8.583 1.233
40 HG2 LYS 6 2HG LYS 6 0.996 9.620 3.324
41 HG3 LYS 6 1HG LYS 6 2.541 9.091 3.985
42 HD2 LYS 6 2HD LYS 6 2.147 10.842 1.533
43 HD3 LYS 6 1HD LYS 6 2.529 11.462 3.135
44 HE2 LYS 6 2HE LYS 6 4.663 10.142 3.019
45 HE3 LYS 6 1HE LYS 6 4.233 9.754 1.348
46 HZ1 LYS 6 3HZ LYS 6 4.626 12.504 2.396
47 HZ2 LYS 6 1HZ LYS 6 4.256 12.100 0.807
48 HZ3 LYS 6 2HZ LYS 6 5.732 11.662 1.449
49 H TRP 7 H TRP 7 0.954 7.925 5.184
50 HA TRP 7 HA TRP 7 2.836 5.854 5.899
51 HB2 TRP 7 2HB TRP 7 1.727 8.137 7.537
52 HB3 TRP 7 1HB TRP 7 2.978 7.024 8.080
53 HD1 TRP 7 HD TRP 7 2.551 10.255 6.331
54 HE1 TRP 7 1HE TRP 7 4.789 11.028 5.300
55 HE3 TRP 7 3HE TRP 7 5.215 5.918 6.775
56 HZ2 TRP 7 2HZ TRP 7 7.322 9.953 4.752
57 HZ3 TRP 7 3HZ TRP 7 7.543 5.879 5.959
58 HH2 TRP 7 HH TRP 7 8.562 7.857 4.974
59 H GLU 8 H GLU 8 0.109 5.156 5.302
60 HA GLU 8 HA GLU 8 -1.005 4.161 7.773
61 HB2 GLU 8 2HB GLU 8 -1.785 3.804 4.892
62 HB3 GLU 8 1HB GLU 8 -2.635 3.041 6.222
63 HG2 GLU 8 2HG GLU 8 -2.373 5.980 5.664
64 HG3 GLU 8 1HG GLU 8 -3.815 4.952 5.592
65 H TYR 9 H TYR 9 -1.631 1.759 7.669
66 HA TYR 9 HA TYR 9 0.791 0.356 7.939
67 HB2 TYR 9 2HB TYR 9 -1.992 -0.817 7.770
68 HB3 TYR 9 1HB TYR 9 -0.558 -1.678 8.306
69 HD1 TYR 9 1HD TYR 9 0.733 -0.516 10.321
70 HD2 TYR 9 2HD TYR 9 -3.361 0.132 9.361
71 HE1 TYR 9 1HE TYR 9 0.318 0.226 12.615
72 HE2 TYR 9 2HE TYR 9 -3.789 0.887 11.639
73 HH TYR 9 HH TYR 9 -1.341 1.685 13.803
74 H CYS 10 H CYS 10 -1.320 0.628 5.255
75 HA CYS 10 HA CYS 10 -1.249 -0.077 3.077
76 HB2 CYS 10 2HB CYS 10 1.026 1.048 3.220
77 HB3 CYS 10 1HB CYS 10 1.722 -0.539 3.551
78 H ILE 11 H ILE 11 -2.098 -1.939 4.850
79 HA ILE 11 HA ILE 11 -0.794 -4.415 4.054
80 HB ILE 11 HB ILE 11 -2.294 -5.511 5.720
81 HG12 ILE 11 2HG1 ILE 11 -3.031 -2.672 6.491
82 HG13 ILE 11 1HG1 ILE 11 -4.108 -3.822 5.705
83 HG21 ILE 11 1HG2 ILE 11 -0.533 -3.305 6.768
84 HG22 ILE 11 2HG2 ILE 11 -0.032 -4.940 6.336
85 HG23 ILE 11 3HG2 ILE 11 -1.103 -4.680 7.713
86 HD11 ILE 11 3HD1 ILE 11 -2.899 -4.115 8.447
87 HD12 ILE 11 1HD1 ILE 11 -3.979 -5.272 7.671
88 HD13 ILE 11 2HD1 ILE 11 -4.564 -3.660 8.086
89 H VAL 12 H VAL 12 -2.214 -6.224 3.377
90 HA VAL 12 HA VAL 12 -4.621 -5.331 2.083
91 HB VAL 12 HB VAL 12 -2.857 -4.799 0.474
92 HG11 VAL 12 1HG1 VAL 12 -2.121 -7.711 0.560
93 HG12 VAL 12 2HG1 VAL 12 -1.141 -6.351 1.108
94 HG13 VAL 12 3HG1 VAL 12 -1.509 -6.537 -0.607
95 HG21 VAL 12 3HG2 VAL 12 -3.703 -6.003 -1.464
96 HG22 VAL 12 1HG2 VAL 12 -5.015 -5.490 -0.406
97 HG23 VAL 12 2HG2 VAL 12 -4.483 -7.170 -0.399
98 HA PRO 13 HA PRO 13 -5.949 -9.377 3.446
99 HB2 PRO 13 2HB PRO 13 -7.828 -9.151 1.149
100 HB3 PRO 13 1HB PRO 13 -8.173 -9.487 2.848
101 HG2 PRO 13 2HG PRO 13 -8.710 -7.099 1.817
102 HG3 PRO 13 1HG PRO 13 -8.044 -7.248 3.453
103 HD2 PRO 13 2HD PRO 13 -6.680 -6.451 0.916
104 HD3 PRO 13 1HD PRO 13 -6.474 -5.826 2.567
105 H ILE 14 H ILE 14 -5.821 -8.874 -0.085
106 HA ILE 14 HA ILE 14 -4.699 -11.578 -0.361
107 HB ILE 14 HB ILE 14 -6.432 -10.044 -2.333
108 HG12 ILE 14 2HG1 ILE 14 -7.052 -12.556 -0.752
109 HG13 ILE 14 1HG1 ILE 14 -7.680 -10.956 -0.389
110 HG21 ILE 14 1HG2 ILE 14 -6.379 -12.073 -3.693
111 HG22 ILE 14 2HG2 ILE 14 -5.266 -12.816 -2.547
112 HG23 ILE 14 3HG2 ILE 14 -4.761 -11.404 -3.473
113 HD11 ILE 14 3HD1 ILE 14 -8.844 -10.951 -2.554
114 HD12 ILE 14 1HD1 ILE 14 -9.339 -12.298 -1.528
115 HD13 ILE 14 2HD1 ILE 14 -8.227 -12.575 -2.865
116 H LEU 15 H LEU 15 -2.742 -11.668 -1.326
117 HA LEU 15 HA LEU 15 -1.350 -9.236 -1.835
118 HB2 LEU 15 2HB LEU 15 -0.512 -12.105 -2.293
119 HB3 LEU 15 1HB LEU 15 0.527 -10.737 -2.608
120 HG LEU 15 HG LEU 15 1.207 -11.674 -0.564
121 HD11 LEU 15 1HD1 LEU 15 0.905 -9.890 1.045
122 HD12 LEU 15 2HD1 LEU 15 -0.401 -9.226 0.070
123 HD13 LEU 15 3HD1 LEU 15 1.240 -9.279 -0.575
124 HD21 LEU 15 3HD2 LEU 15 -1.651 -11.521 0.395
125 HD22 LEU 15 1HD2 LEU 15 -0.264 -11.994 1.376
126 HD23 LEU 15 2HD2 LEU 15 -0.753 -12.990 0.006
127 H GLY 16 H GLY 16 -0.329 -8.598 -3.796
128 HA2 GLY 16 2HA GLY 16 -0.186 -8.613 -6.167
129 HA3 GLY 16 1HA GLY 16 -1.664 -9.578 -6.211
130 H PHE 17 H PHE 17 -2.291 -7.520 -3.920
131 HA PHE 17 HA PHE 17 -3.289 -5.370 -5.642
132 HB2 PHE 17 2HB PHE 17 -4.699 -6.608 -3.244
133 HB3 PHE 17 1HB PHE 17 -5.315 -5.304 -4.246
134 HD1 PHE 17 2HD PHE 17 -4.620 -8.914 -4.085
135 HD2 PHE 17 1HD PHE 17 -6.372 -5.776 -6.354
136 HE1 PHE 17 2HE PHE 17 -5.732 -10.573 -5.508
137 HE2 PHE 17 1HE PHE 17 -7.492 -7.451 -7.783
138 HZ PHE 17 HZ PHE 17 -7.171 -9.839 -7.360
139 H VAL 18 H VAL 18 -3.144 -3.302 -4.631
140 HA VAL 18 HA VAL 18 -2.637 -3.042 -1.871
141 HB VAL 18 HB VAL 18 -0.307 -3.550 -2.577
142 HG11 VAL 18 1HG1 VAL 18 -0.366 -2.837 -4.868
143 HG12 VAL 18 2HG1 VAL 18 0.962 -2.042 -4.020
144 HG13 VAL 18 3HG1 VAL 18 -0.522 -1.152 -4.374
145 HG21 VAL 18 3HG2 VAL 18 -0.695 -0.665 -1.813
146 HG22 VAL 18 1HG2 VAL 18 0.811 -1.566 -1.653
147 HG23 VAL 18 2HG2 VAL 18 -0.604 -2.040 -0.714
148 H TYR 19 H TYR 19 -3.445 -1.123 -1.195
149 HA TYR 19 HA TYR 19 -4.036 0.814 -3.295
150 HB2 TYR 19 2HB TYR 19 -6.004 -0.276 -1.298
151 HB3 TYR 19 1HB TYR 19 -6.275 1.158 -2.270
152 HD1 TYR 19 1HD TYR 19 -6.673 0.962 -4.677
153 HD2 TYR 19 2HD TYR 19 -6.155 -2.488 -2.250
154 HE1 TYR 19 1HE TYR 19 -7.653 -0.420 -6.446
155 HE2 TYR 19 2HE TYR 19 -7.125 -3.885 -4.008
156 HH TYR 19 HH TYR 19 -8.604 -3.653 -5.908
157 H CYS 20 H CYS 20 -3.168 2.612 -2.775
158 HA CYS 20 HA CYS 20 -3.821 3.855 -0.225
159 HB2 CYS 20 2HB CYS 20 -1.117 3.975 -1.647
160 HB3 CYS 20 1HB CYS 20 -1.611 5.114 -0.408
161 H CYS 21 H CYS 21 -3.461 6.351 -0.681
162 HA CYS 21 HA CYS 21 -4.952 6.971 -2.941
163 HB2 CYS 21 2HB CYS 21 -3.262 8.688 -1.144
164 HB3 CYS 21 1HB CYS 21 -4.229 9.344 -2.477
165 HA PRO 22 HA PRO 22 -2.302 6.789 -6.318
166 HB2 PRO 22 2HB PRO 22 -3.231 8.847 -7.856
167 HB3 PRO 22 1HB PRO 22 -4.044 7.289 -7.696
168 HG2 PRO 22 2HG PRO 22 -4.646 9.882 -6.342
169 HG3 PRO 22 1HG PRO 22 -5.759 8.647 -6.952
170 HD2 PRO 22 2HD PRO 22 -5.117 8.911 -4.316
171 HD3 PRO 22 1HD PRO 22 -5.560 7.358 -5.054
172 H GLY 23 H GLY 23 -0.306 7.353 -6.701
173 HA2 GLY 23 2HA GLY 23 1.294 9.074 -7.300
174 HA3 GLY 23 1HA GLY 23 0.518 10.117 -6.110
175 H LEU 24 H LEU 24 0.335 7.438 -4.528
176 HA LEU 24 HA LEU 24 2.883 7.892 -3.151
177 HB2 LEU 24 2HB LEU 24 0.645 6.162 -2.103
178 HB3 LEU 24 1HB LEU 24 1.937 6.928 -1.275
179 HG LEU 24 HG LEU 24 -0.229 8.552 -2.564
180 HD11 LEU 24 1HD1 LEU 24 -1.061 8.857 -0.257
181 HD12 LEU 24 2HD1 LEU 24 0.018 7.526 0.233
182 HD13 LEU 24 3HD1 LEU 24 -1.275 7.250 -0.938
183 HD21 LEU 24 3HD2 LEU 24 1.969 9.204 -0.603
184 HD22 LEU 24 1HD2 LEU 24 0.646 10.302 -1.027
185 HD23 LEU 24 2HD2 LEU 24 1.792 9.784 -2.258
186 H ILE 25 H ILE 25 4.049 6.095 -2.446
187 HA ILE 25 HA ILE 25 3.658 3.634 -4.022
188 HB ILE 25 HB ILE 25 6.151 3.372 -4.049
189 HG12 ILE 25 2HG1 ILE 25 6.203 6.273 -3.170
190 HG13 ILE 25 1HG1 ILE 25 6.648 4.905 -2.159
191 HG21 ILE 25 1HG2 ILE 25 5.118 5.818 -5.459
192 HG22 ILE 25 2HG2 ILE 25 5.019 4.153 -6.032
193 HG23 ILE 25 3HG2 ILE 25 6.590 4.941 -5.874
194 HD11 ILE 25 3HD1 ILE 25 8.495 4.397 -3.672
195 HD12 ILE 25 1HD1 ILE 25 8.604 6.039 -3.038
196 HD13 ILE 25 2HD1 ILE 25 8.037 5.764 -4.687
197 H CYS 26 H CYS 26 3.851 1.761 -2.887
198 HA CYS 26 HA CYS 26 4.222 2.061 -0.016
199 HB2 CYS 26 2HB CYS 26 2.321 0.746 -1.046
200 HB3 CYS 26 1HB CYS 26 3.508 -0.477 -1.509
201 H GLY 27 H GLY 27 6.208 2.301 0.417
202 HA2 GLY 27 2HA GLY 27 8.269 1.054 -1.152
203 HA3 GLY 27 1HA GLY 27 8.511 2.175 0.175
204 HA PRO 28 HA PRO 28 9.776 -1.294 2.481
205 HB2 PRO 28 2HB PRO 28 9.089 -0.254 5.055
206 HB3 PRO 28 1HB PRO 28 10.657 -0.198 4.263
207 HG2 PRO 28 2HG PRO 28 9.017 2.018 4.769
208 HG3 PRO 28 1HG PRO 28 10.397 1.972 3.669
209 HD2 PRO 28 2HD PRO 28 7.491 1.869 3.059
210 HD3 PRO 28 1HD PRO 28 8.824 2.491 2.087
211 H PHE 29 H PHE 29 7.219 -0.231 4.675
212 HA PHE 29 HA PHE 29 5.659 -2.586 3.878
213 HB2 PHE 29 2HB PHE 29 5.960 -1.490 6.684
214 HB3 PHE 29 1HB PHE 29 4.993 -2.878 6.214
215 HD1 PHE 29 2HD PHE 29 6.234 -4.882 5.205
216 HD2 PHE 29 1HD PHE 29 8.176 -1.756 7.330
217 HE1 PHE 29 2HE PHE 29 8.168 -6.352 5.595
218 HE2 PHE 29 1HE PHE 29 10.112 -3.209 7.716
219 HZ PHE 29 HZ PHE 29 10.111 -5.516 6.850
220 H VAL 30 H VAL 30 5.853 0.697 4.037
221 HA VAL 30 HA VAL 30 2.956 1.042 4.198
222 HB VAL 30 HB VAL 30 3.258 3.173 5.367
223 HG11 VAL 30 1HG1 VAL 30 4.600 0.894 6.808
224 HG12 VAL 30 2HG1 VAL 30 2.870 1.232 6.738
225 HG13 VAL 30 3HG1 VAL 30 3.951 2.350 7.569
226 HG21 VAL 30 3HG2 VAL 30 6.192 2.465 5.416
227 HG22 VAL 30 1HG2 VAL 30 5.463 3.775 6.350
228 HG23 VAL 30 2HG2 VAL 30 5.445 3.827 4.588
229 H CYS 31 H CYS 31 2.354 3.213 3.247
230 HA CYS 31 HA CYS 31 3.775 3.662 0.735
231 HB2 CYS 31 2HB CYS 31 1.114 4.586 1.821
232 HB3 CYS 31 1HB CYS 31 1.809 5.192 0.301
233 H VAL 32 H VAL 32 3.917 5.931 0.068
234 HA VAL 32 HA VAL 32 4.646 7.933 1.794
235 HB VAL 32 HB VAL 32 6.431 6.474 2.600
236 HG11 VAL 32 1HG1 VAL 32 8.236 5.658 1.116
237 HG12 VAL 32 2HG1 VAL 32 7.365 6.297 -0.277
238 HG13 VAL 32 3HG1 VAL 32 6.668 4.982 0.669
239 HG21 VAL 32 3HG2 VAL 32 8.382 7.876 2.164
240 HG22 VAL 32 1HG2 VAL 32 6.936 8.844 2.437
241 HG23 VAL 32 2HG2 VAL 32 7.552 8.617 0.796
Start of MODEL 19
1 H1 ARG 1 H ARG 1 -13.189 2.891 -3.331
2 HA ARG 1 HA ARG 1 -14.144 2.467 -0.725
3 HB2 ARG 1 2HB ARG 1 -11.254 1.743 -1.204
4 HB3 ARG 1 1HB ARG 1 -12.040 1.855 0.355
5 HG2 ARG 1 2HG ARG 1 -13.488 -0.035 -0.248
6 HG3 ARG 1 1HG ARG 1 -12.658 -0.151 -1.802
7 HD2 ARG 1 2HD ARG 1 -11.729 -1.778 -0.282
8 HD3 ARG 1 1HD ARG 1 -10.533 -0.523 -0.602
9 HE ARG 1 HE ARG 1 -12.135 -0.051 1.730
10 HH11 ARG 1 1HH1 ARG 1 -9.128 -1.550 0.547
11 HH12 ARG 1 2HH1 ARG 1 -8.425 -1.595 2.092
12 HH21 ARG 1 1HH2 ARG 1 -11.140 -0.182 3.823
13 HH22 ARG 1 2HH2 ARG 1 -9.569 -0.821 3.961
14 H ASP 2 H ASP 2 -12.491 3.784 0.768
15 HA ASP 2 HA ASP 2 -11.800 6.210 -0.654
16 HB2 ASP 2 2HB ASP 2 -13.293 6.613 1.208
17 HB3 ASP 2 1HB ASP 2 -12.275 5.658 2.281
18 H CYS 3 H CYS 3 -9.801 6.555 -1.019
19 HA CYS 3 HA CYS 3 -7.850 4.606 -0.418
20 HB2 CYS 3 2HB CYS 3 -6.254 5.979 -1.570
21 HB3 CYS 3 1HB CYS 3 -7.762 5.948 -2.471
22 H GLN 4 H GLN 4 -5.805 4.939 0.641
23 HA GLN 4 HA GLN 4 -6.231 6.399 3.181
24 HB2 GLN 4 2HB GLN 4 -5.093 4.642 4.310
25 HB3 GLN 4 1HB GLN 4 -6.121 3.851 3.129
26 HG2 GLN 4 2HG GLN 4 -4.234 3.601 1.622
27 HG3 GLN 4 1HG GLN 4 -3.161 4.272 2.856
28 HE21 GLN 4 1HE2 GLN 4 -4.972 1.650 1.802
29 HE22 GLN 4 2HE2 GLN 4 -4.495 0.520 3.046
30 H GLU 5 H GLU 5 -4.402 7.253 4.176
31 HA GLU 5 HA GLU 5 -2.765 8.697 2.415
32 HB2 GLU 5 2HB GLU 5 -2.756 8.309 5.379
33 HB3 GLU 5 1HB GLU 5 -1.593 9.381 4.578
34 HG2 GLU 5 2HG GLU 5 -3.534 10.660 3.692
35 HG3 GLU 5 1HG GLU 5 -4.597 9.618 4.632
36 H LYS 6 H LYS 6 -0.308 8.743 3.116
37 HA LYS 6 HA LYS 6 0.646 6.377 1.891
38 HB2 LYS 6 2HB LYS 6 2.881 7.512 2.005
39 HB3 LYS 6 1HB LYS 6 1.617 8.451 1.215
40 HG2 LYS 6 2HG LYS 6 1.214 9.451 3.426
41 HG3 LYS 6 1HG LYS 6 2.768 8.833 3.953
42 HD2 LYS 6 2HD LYS 6 2.316 10.712 1.617
43 HD3 LYS 6 1HD LYS 6 2.790 11.223 3.233
44 HE2 LYS 6 2HE LYS 6 4.844 9.776 2.951
45 HE3 LYS 6 1HE LYS 6 4.335 9.576 1.270
46 HZ1 LYS 6 3HZ LYS 6 5.952 11.357 1.566
47 HZ2 LYS 6 1HZ LYS 6 4.865 12.198 2.534
48 HZ3 LYS 6 2HZ LYS 6 4.524 11.918 0.903
49 H TRP 7 H TRP 7 1.226 7.788 5.092
50 HA TRP 7 HA TRP 7 2.874 5.528 5.827
51 HB2 TRP 7 2HB TRP 7 2.042 7.938 7.447
52 HB3 TRP 7 1HB TRP 7 3.209 6.727 7.957
53 HD1 TRP 7 HD TRP 7 3.006 9.991 6.303
54 HE1 TRP 7 1HE TRP 7 5.251 10.638 5.224
55 HE3 TRP 7 3HE TRP 7 5.356 5.470 6.510
56 HZ2 TRP 7 2HZ TRP 7 7.681 9.407 4.554
57 HZ3 TRP 7 3HZ TRP 7 7.651 5.301 5.600
58 HH2 TRP 7 HH TRP 7 8.768 7.235 4.653
59 H GLU 8 H GLU 8 0.102 4.959 5.289
60 HA GLU 8 HA GLU 8 -1.119 4.561 7.892
61 HB2 GLU 8 2HB GLU 8 -2.084 3.870 5.135
62 HB3 GLU 8 1HB GLU 8 -2.984 3.548 6.607
63 HG2 GLU 8 2HG GLU 8 -2.119 6.245 5.654
64 HG3 GLU 8 1HG GLU 8 -3.714 5.498 5.450
65 H TYR 9 H TYR 9 -2.091 2.018 6.038
66 HA TYR 9 HA TYR 9 -0.157 0.284 7.363
67 HB2 TYR 9 2HB TYR 9 -3.028 -0.239 6.665
68 HB3 TYR 9 1HB TYR 9 -1.904 -1.533 7.074
69 HD1 TYR 9 1HD TYR 9 -0.533 -1.068 9.294
70 HD2 TYR 9 2HD TYR 9 -4.330 0.618 8.388
71 HE1 TYR 9 1HE TYR 9 -0.925 -0.723 11.658
72 HE2 TYR 9 2HE TYR 9 -4.741 0.973 10.776
73 HH TYR 9 HH TYR 9 -3.975 0.049 12.921
74 H CYS 10 H CYS 10 -1.805 0.931 4.362
75 HA CYS 10 HA CYS 10 -1.353 0.432 2.241
76 HB2 CYS 10 2HB CYS 10 0.959 1.053 2.652
77 HB3 CYS 10 1HB CYS 10 1.297 -0.540 3.321
78 H ILE 11 H ILE 11 -2.687 -1.064 1.446
79 HA ILE 11 HA ILE 11 -2.210 -3.809 2.214
80 HB ILE 11 HB ILE 11 -4.393 -3.066 2.970
81 HG12 ILE 11 2HG1 ILE 11 -4.656 -4.639 0.445
82 HG13 ILE 11 1HG1 ILE 11 -4.219 -5.309 2.016
83 HG21 ILE 11 1HG2 ILE 11 -4.675 -1.114 1.528
84 HG22 ILE 11 2HG2 ILE 11 -6.095 -2.163 1.462
85 HG23 ILE 11 3HG2 ILE 11 -4.918 -2.193 0.149
86 HD11 ILE 11 3HD1 ILE 11 -6.436 -4.661 2.879
87 HD12 ILE 11 1HD1 ILE 11 -6.570 -5.767 1.511
88 HD13 ILE 11 2HD1 ILE 11 -6.863 -4.041 1.285
89 H VAL 12 H VAL 12 -1.945 -5.300 0.559
90 HA VAL 12 HA VAL 12 -1.901 -4.165 -2.118
91 HB VAL 12 HB VAL 12 0.389 -4.543 -1.388
92 HG11 VAL 12 1HG1 VAL 12 1.296 -6.731 -0.799
93 HG12 VAL 12 2HG1 VAL 12 -0.333 -7.401 -0.831
94 HG13 VAL 12 3HG1 VAL 12 0.087 -6.163 0.353
95 HG21 VAL 12 3HG2 VAL 12 -0.427 -6.667 -3.361
96 HG22 VAL 12 1HG2 VAL 12 1.219 -6.086 -3.116
97 HG23 VAL 12 2HG2 VAL 12 -0.022 -4.992 -3.728
98 HA PRO 13 HA PRO 13 -5.205 -7.306 -2.243
99 HB2 PRO 13 2HB PRO 13 -5.963 -5.791 -4.663
100 HB3 PRO 13 1HB PRO 13 -6.932 -6.164 -3.239
101 HG2 PRO 13 2HG PRO 13 -6.048 -3.678 -3.704
102 HG3 PRO 13 1HG PRO 13 -6.144 -4.332 -2.059
103 HD2 PRO 13 2HD PRO 13 -3.752 -4.027 -3.837
104 HD3 PRO 13 1HD PRO 13 -3.922 -3.700 -2.097
105 H ILE 14 H ILE 14 -3.404 -6.040 -4.956
106 HA ILE 14 HA ILE 14 -3.222 -8.707 -6.159
107 HB ILE 14 HB ILE 14 -3.375 -6.003 -7.545
108 HG12 ILE 14 2HG1 ILE 14 -5.598 -6.741 -6.843
109 HG13 ILE 14 1HG1 ILE 14 -5.454 -6.805 -8.593
110 HG21 ILE 14 1HG2 ILE 14 -3.294 -7.231 -9.664
111 HG22 ILE 14 2HG2 ILE 14 -3.010 -8.716 -8.756
112 HG23 ILE 14 3HG2 ILE 14 -1.821 -7.415 -8.707
113 HD11 ILE 14 3HD1 ILE 14 -6.657 -8.730 -7.774
114 HD12 ILE 14 1HD1 ILE 14 -5.322 -9.143 -6.697
115 HD13 ILE 14 2HD1 ILE 14 -5.105 -9.237 -8.442
116 H LEU 15 H LEU 15 -1.086 -9.287 -6.392
117 HA LEU 15 HA LEU 15 0.824 -7.620 -5.178
118 HB2 LEU 15 2HB LEU 15 1.167 -10.141 -6.789
119 HB3 LEU 15 1HB LEU 15 2.527 -9.282 -6.103
120 HG LEU 15 HG LEU 15 2.045 -11.122 -4.692
121 HD11 LEU 15 1HD1 LEU 15 0.981 -8.653 -3.363
122 HD12 LEU 15 2HD1 LEU 15 2.672 -9.120 -3.524
123 HD13 LEU 15 3HD1 LEU 15 1.578 -10.101 -2.551
124 HD21 LEU 15 3HD2 LEU 15 -0.241 -11.626 -5.351
125 HD22 LEU 15 1HD2 LEU 15 -0.816 -10.163 -4.548
126 HD23 LEU 15 2HD2 LEU 15 -0.137 -11.481 -3.596
127 H GLY 16 H GLY 16 1.924 -6.065 -5.848
128 HA2 GLY 16 2HA GLY 16 3.252 -4.874 -7.409
129 HA3 GLY 16 1HA GLY 16 2.322 -5.615 -8.712
130 H PHE 17 H PHE 17 0.019 -4.966 -6.590
131 HA PHE 17 HA PHE 17 -0.294 -2.174 -7.356
132 HB2 PHE 17 2HB PHE 17 -1.802 -3.483 -8.725
133 HB3 PHE 17 1HB PHE 17 -2.367 -4.358 -7.305
134 HD1 PHE 17 1HD PHE 17 -2.276 -0.985 -8.841
135 HD2 PHE 17 2HD PHE 17 -4.209 -3.593 -6.099
136 HE1 PHE 17 1HE PHE 17 -4.080 0.654 -8.564
137 HE2 PHE 17 2HE PHE 17 -6.017 -1.959 -5.809
138 HZ PHE 17 HZ PHE 17 -5.960 0.166 -7.043
139 H VAL 18 H VAL 18 -0.214 -1.027 -5.577
140 HA VAL 18 HA VAL 18 -1.166 -2.256 -3.101
141 HB VAL 18 HB VAL 18 0.191 -0.563 -1.894
142 HG11 VAL 18 1HG1 VAL 18 2.395 -1.525 -2.442
143 HG12 VAL 18 2HG1 VAL 18 1.714 -2.201 -3.919
144 HG13 VAL 18 3HG1 VAL 18 1.134 -2.752 -2.348
145 HG21 VAL 18 3HG2 VAL 18 0.210 1.213 -3.600
146 HG22 VAL 18 1HG2 VAL 18 1.196 0.198 -4.650
147 HG23 VAL 18 2HG2 VAL 18 1.856 0.789 -3.128
148 H TYR 19 H TYR 19 -2.669 -1.182 -1.828
149 HA TYR 19 HA TYR 19 -3.997 0.921 -3.324
150 HB2 TYR 19 2HB TYR 19 -5.421 -1.028 -2.909
151 HB3 TYR 19 1HB TYR 19 -5.177 -0.831 -1.173
152 HD1 TYR 19 1HD TYR 19 -6.290 1.156 -4.101
153 HD2 TYR 19 2HD TYR 19 -6.820 0.313 0.024
154 HE1 TYR 19 1HE TYR 19 -8.164 2.718 -4.040
155 HE2 TYR 19 2HE TYR 19 -8.717 1.885 0.101
156 HH TYR 19 HH TYR 19 -10.122 3.140 -2.734
157 H CYS 20 H CYS 20 -3.381 2.757 -2.793
158 HA CYS 20 HA CYS 20 -3.892 3.841 -0.188
159 HB2 CYS 20 2HB CYS 20 -1.171 4.069 -1.575
160 HB3 CYS 20 1HB CYS 20 -1.694 5.094 -0.251
161 H CYS 21 H CYS 21 -3.543 6.326 -0.599
162 HA CYS 21 HA CYS 21 -5.071 6.989 -2.866
163 HB2 CYS 21 2HB CYS 21 -3.326 8.691 -1.103
164 HB3 CYS 21 1HB CYS 21 -4.340 9.349 -2.397
165 HA PRO 22 HA PRO 22 -2.414 6.877 -6.284
166 HB2 PRO 22 2HB PRO 22 -3.197 9.082 -7.721
167 HB3 PRO 22 1HB PRO 22 -4.103 7.566 -7.664
168 HG2 PRO 22 2HG PRO 22 -4.540 10.094 -6.134
169 HG3 PRO 22 1HG PRO 22 -5.736 9.013 -6.872
170 HD2 PRO 22 2HD PRO 22 -5.186 8.984 -4.210
171 HD3 PRO 22 1HD PRO 22 -5.647 7.511 -5.090
172 H GLY 23 H GLY 23 -0.424 7.470 -6.804
173 HA2 GLY 23 2HA GLY 23 1.280 9.080 -7.250
174 HA3 GLY 23 1HA GLY 23 0.522 10.155 -6.079
175 H LEU 24 H LEU 24 0.373 7.237 -4.692
176 HA LEU 24 HA LEU 24 2.870 7.710 -3.216
177 HB2 LEU 24 2HB LEU 24 0.584 6.013 -2.204
178 HB3 LEU 24 1HB LEU 24 1.900 6.733 -1.360
179 HG LEU 24 HG LEU 24 -0.243 8.423 -2.602
180 HD11 LEU 24 1HD1 LEU 24 0.039 7.429 0.204
181 HD12 LEU 24 2HD1 LEU 24 -1.273 7.093 -0.949
182 HD13 LEU 24 3HD1 LEU 24 -1.059 8.718 -0.307
183 HD21 LEU 24 3HD2 LEU 24 0.686 10.133 -1.059
184 HD22 LEU 24 1HD2 LEU 24 1.821 9.603 -2.302
185 HD23 LEU 24 2HD2 LEU 24 1.987 9.004 -0.663
186 H ILE 25 H ILE 25 3.994 5.855 -2.516
187 HA ILE 25 HA ILE 25 3.494 3.389 -4.017
188 HB ILE 25 HB ILE 25 5.975 3.103 -4.285
189 HG12 ILE 25 2HG1 ILE 25 6.058 6.060 -3.619
190 HG13 ILE 25 1HG1 ILE 25 6.722 4.762 -2.636
191 HG21 ILE 25 1HG2 ILE 25 6.167 4.548 -6.286
192 HG22 ILE 25 2HG2 ILE 25 4.694 5.382 -5.783
193 HG23 ILE 25 3HG2 ILE 25 4.639 3.672 -6.199
194 HD11 ILE 25 3HD1 ILE 25 7.654 5.562 -5.385
195 HD12 ILE 25 1HD1 ILE 25 8.324 4.252 -4.414
196 HD13 ILE 25 2HD1 ILE 25 8.464 5.919 -3.858
197 H CYS 26 H CYS 26 4.139 1.520 -2.930
198 HA CYS 26 HA CYS 26 4.439 1.922 -0.036
199 HB2 CYS 26 2HB CYS 26 2.595 0.531 -1.158
200 HB3 CYS 26 1HB CYS 26 3.874 -0.657 -1.446
201 H GLY 27 H GLY 27 6.459 2.205 0.393
202 HA2 GLY 27 2HA GLY 27 8.487 0.711 -1.062
203 HA3 GLY 27 1HA GLY 27 8.763 2.048 0.044
204 HA PRO 28 HA PRO 28 10.214 -0.742 3.048
205 HB2 PRO 28 2HB PRO 28 9.324 0.401 5.384
206 HB3 PRO 28 1HB PRO 28 10.713 0.982 4.461
207 HG2 PRO 28 2HG PRO 28 7.900 2.002 4.502
208 HG3 PRO 28 1HG PRO 28 9.419 2.915 4.454
209 HD2 PRO 28 2HD PRO 28 7.901 2.538 2.256
210 HD3 PRO 28 1HD PRO 28 9.671 2.611 2.177
211 H PHE 29 H PHE 29 6.909 0.215 3.778
212 HA PHE 29 HA PHE 29 5.992 -2.467 4.047
213 HB2 PHE 29 2HB PHE 29 7.124 -2.252 6.209
214 HB3 PHE 29 1HB PHE 29 6.305 -0.730 6.511
215 HD1 PHE 29 2HD PHE 29 5.570 -4.300 5.831
216 HD2 PHE 29 1HD PHE 29 4.439 -0.727 7.785
217 HE1 PHE 29 2HE PHE 29 3.761 -5.525 6.988
218 HE2 PHE 29 1HE PHE 29 2.613 -1.921 8.957
219 HZ PHE 29 HZ PHE 29 2.280 -4.327 8.556
220 H VAL 30 H VAL 30 5.671 0.965 4.476
221 HA VAL 30 HA VAL 30 2.847 0.751 3.815
222 HB VAL 30 HB VAL 30 2.531 2.919 4.995
223 HG11 VAL 30 1HG1 VAL 30 2.705 2.042 7.271
224 HG12 VAL 30 2HG1 VAL 30 3.754 0.754 6.675
225 HG13 VAL 30 3HG1 VAL 30 2.070 0.828 6.155
226 HG21 VAL 30 3HG2 VAL 30 4.282 3.711 6.528
227 HG22 VAL 30 1HG2 VAL 30 4.799 3.796 4.840
228 HG23 VAL 30 2HG2 VAL 30 5.385 2.497 5.879
229 H CYS 31 H CYS 31 2.165 3.044 2.938
230 HA CYS 31 HA CYS 31 3.707 3.443 0.561
231 HB2 CYS 31 2HB CYS 31 1.095 4.569 1.556
232 HB3 CYS 31 1HB CYS 31 1.847 5.020 0.007
233 H VAL 32 H VAL 32 3.819 5.829 -0.115
234 HA VAL 32 HA VAL 32 4.757 7.738 1.596
235 HB VAL 32 HB VAL 32 6.490 6.124 2.275
236 HG11 VAL 32 1HG1 VAL 32 7.317 6.088 -0.634
237 HG12 VAL 32 2HG1 VAL 32 6.611 4.744 0.264
238 HG13 VAL 32 3HG1 VAL 32 8.213 5.344 0.692
239 HG21 VAL 32 3HG2 VAL 32 7.055 8.475 2.243
240 HG22 VAL 32 1HG2 VAL 32 7.611 8.348 0.571
241 HG23 VAL 32 2HG2 VAL 32 8.458 7.485 1.868
Start of MODEL 20
1 H1 ARG 1 H ARG 1 -12.488 8.838 -4.346
2 HA ARG 1 HA ARG 1 -13.630 6.365 -4.434
3 HB2 ARG 1 2HB ARG 1 -10.665 6.311 -5.022
4 HB3 ARG 1 1HB ARG 1 -11.628 4.916 -4.573
5 HG2 ARG 1 2HG ARG 1 -12.930 5.144 -6.617
6 HG3 ARG 1 1HG ARG 1 -11.991 6.574 -7.055
7 HD2 ARG 1 2HD ARG 1 -11.152 4.626 -8.236
8 HD3 ARG 1 1HD ARG 1 -9.956 5.217 -7.086
9 HE ARG 1 HE ARG 1 -11.502 3.215 -5.863
10 HH11 ARG 1 1HH1 ARG 1 -8.920 3.602 -8.256
11 HH12 ARG 1 2HH1 ARG 1 -8.398 1.993 -8.166
12 HH21 ARG 1 1HH2 ARG 1 -10.743 0.979 -5.714
13 HH22 ARG 1 2HH2 ARG 1 -9.464 0.465 -6.702
14 H ASP 2 H ASP 2 -12.440 4.973 -2.640
15 HA ASP 2 HA ASP 2 -11.731 6.813 -0.473
16 HB2 ASP 2 2HB ASP 2 -13.661 5.347 -0.018
17 HB3 ASP 2 1HB ASP 2 -12.677 3.935 -0.377
18 H CYS 3 H CYS 3 -9.565 7.039 -0.414
19 HA CYS 3 HA CYS 3 -8.043 4.570 -0.579
20 HB2 CYS 3 2HB CYS 3 -6.172 5.854 -1.536
21 HB3 CYS 3 1HB CYS 3 -7.588 5.879 -2.578
22 H GLN 4 H GLN 4 -5.826 4.890 0.499
23 HA GLN 4 HA GLN 4 -6.339 6.332 2.998
24 HB2 GLN 4 2HB GLN 4 -5.308 4.570 4.215
25 HB3 GLN 4 1HB GLN 4 -6.343 3.842 2.995
26 HG2 GLN 4 2HG GLN 4 -4.541 3.296 1.612
27 HG3 GLN 4 1HG GLN 4 -3.388 4.092 2.692
28 HE21 GLN 4 1HE2 GLN 4 -3.493 1.380 1.824
29 HE22 GLN 4 2HE2 GLN 4 -3.659 0.395 3.257
30 H GLU 5 H GLU 5 -4.494 7.049 4.103
31 HA GLU 5 HA GLU 5 -2.900 8.676 2.466
32 HB2 GLU 5 2HB GLU 5 -2.918 8.055 5.378
33 HB3 GLU 5 1HB GLU 5 -1.798 9.220 4.662
34 HG2 GLU 5 2HG GLU 5 -3.614 10.608 4.016
35 HG3 GLU 5 1HG GLU 5 -4.790 9.372 4.455
36 H LYS 6 H LYS 6 -0.511 8.864 3.057
37 HA LYS 6 HA LYS 6 0.729 6.597 1.927
38 HB2 LYS 6 2HB LYS 6 2.841 7.903 2.176
39 HB3 LYS 6 1HB LYS 6 1.558 8.766 1.337
40 HG2 LYS 6 2HG LYS 6 0.967 9.735 3.486
41 HG3 LYS 6 1HG LYS 6 2.483 9.157 4.165
42 HD2 LYS 6 2HD LYS 6 2.173 11.030 1.816
43 HD3 LYS 6 1HD LYS 6 2.557 11.553 3.454
44 HE2 LYS 6 2HE LYS 6 4.638 10.089 3.242
45 HE3 LYS 6 1HE LYS 6 4.215 9.946 1.539
46 HZ1 LYS 6 3HZ LYS 6 4.725 12.511 2.935
47 HZ2 LYS 6 1HZ LYS 6 4.326 12.331 1.307
48 HZ3 LYS 6 2HZ LYS 6 5.791 11.736 1.898
49 H TRP 7 H TRP 7 0.955 7.984 5.184
50 HA TRP 7 HA TRP 7 2.763 5.873 5.947
51 HB2 TRP 7 2HB TRP 7 1.650 8.183 7.508
52 HB3 TRP 7 1HB TRP 7 2.811 7.021 8.156
53 HD1 TRP 7 HD TRP 7 2.683 10.289 6.539
54 HE1 TRP 7 1HE TRP 7 4.985 10.952 5.584
55 HE3 TRP 7 3HE TRP 7 5.019 5.753 6.760
56 HZ2 TRP 7 2HZ TRP 7 7.431 9.736 5.012
57 HZ3 TRP 7 3HZ TRP 7 7.356 5.605 5.954
58 HH2 TRP 7 HH TRP 7 8.509 7.564 5.104
59 H GLU 8 H GLU 8 0.041 5.222 5.239
60 HA GLU 8 HA GLU 8 -1.140 4.312 7.701
61 HB2 GLU 8 2HB GLU 8 -1.963 4.072 4.831
62 HB3 GLU 8 1HB GLU 8 -2.828 3.283 6.138
63 HG2 GLU 8 2HG GLU 8 -2.392 6.217 5.764
64 HG3 GLU 8 1HG GLU 8 -3.914 5.340 5.569
65 H TYR 9 H TYR 9 -1.969 1.933 7.456
66 HA TYR 9 HA TYR 9 0.305 0.382 7.845
67 HB2 TYR 9 2HB TYR 9 -2.512 -0.561 7.348
68 HB3 TYR 9 1HB TYR 9 -1.219 -1.528 8.049
69 HD1 TYR 9 1HD TYR 9 -0.109 -0.392 10.216
70 HD2 TYR 9 2HD TYR 9 -4.017 0.417 8.757
71 HE1 TYR 9 1HE TYR 9 -0.780 0.386 12.445
72 HE2 TYR 9 2HE TYR 9 -4.696 1.202 10.965
73 HH TYR 9 HH TYR 9 -4.016 0.890 13.311
74 H CYS 10 H CYS 10 -1.667 0.813 4.991
75 HA CYS 10 HA CYS 10 -1.513 0.156 2.829
76 HB2 CYS 10 2HB CYS 10 0.811 1.105 3.038
77 HB3 CYS 10 1HB CYS 10 1.395 -0.497 3.476
78 H ILE 11 H ILE 11 -2.131 -1.768 4.989
79 HA ILE 11 HA ILE 11 -1.237 -4.263 3.786
80 HB ILE 11 HB ILE 11 -2.215 -5.388 5.766
81 HG12 ILE 11 2HG1 ILE 11 -2.721 -2.579 6.778
82 HG13 ILE 11 1HG1 ILE 11 -3.959 -3.731 6.301
83 HG21 ILE 11 1HG2 ILE 11 -0.548 -4.612 7.402
84 HG22 ILE 11 2HG2 ILE 11 -0.238 -3.201 6.388
85 HG23 ILE 11 3HG2 ILE 11 0.128 -4.819 5.789
86 HD11 ILE 11 3HD1 ILE 11 -3.761 -3.603 8.708
87 HD12 ILE 11 1HD1 ILE 11 -2.051 -4.024 8.605
88 HD13 ILE 11 2HD1 ILE 11 -3.279 -5.196 8.124
89 H VAL 12 H VAL 12 -2.505 -5.542 2.703
90 HA VAL 12 HA VAL 12 -5.364 -5.198 2.792
91 HB VAL 12 HB VAL 12 -5.431 -5.472 0.239
92 HG11 VAL 12 1HG1 VAL 12 -5.908 -3.324 1.320
93 HG12 VAL 12 2HG1 VAL 12 -5.120 -3.115 -0.237
94 HG13 VAL 12 3HG1 VAL 12 -4.192 -2.912 1.252
95 HG21 VAL 12 3HG2 VAL 12 -3.449 -4.748 -1.024
96 HG22 VAL 12 1HG2 VAL 12 -3.127 -6.208 -0.089
97 HG23 VAL 12 2HG2 VAL 12 -2.535 -4.649 0.480
98 HA PRO 13 HA PRO 13 -5.077 -9.587 2.807
99 HB2 PRO 13 2HB PRO 13 -7.609 -9.989 1.492
100 HB3 PRO 13 1HB PRO 13 -7.241 -10.084 3.212
101 HG2 PRO 13 2HG PRO 13 -8.807 -8.140 2.113
102 HG3 PRO 13 1HG PRO 13 -7.871 -7.919 3.602
103 HD2 PRO 13 2HD PRO 13 -7.228 -7.062 0.806
104 HD3 PRO 13 1HD PRO 13 -7.032 -6.172 2.332
105 H ILE 14 H ILE 14 -4.771 -8.041 -0.023
106 HA ILE 14 HA ILE 14 -4.283 -10.536 -1.434
107 HB ILE 14 HB ILE 14 -4.694 -9.246 -3.603
108 HG12 ILE 14 2HG1 ILE 14 -6.163 -7.357 -1.734
109 HG13 ILE 14 1HG1 ILE 14 -4.710 -6.966 -2.644
110 HG21 ILE 14 1HG2 ILE 14 -6.209 -10.964 -2.854
111 HG22 ILE 14 2HG2 ILE 14 -7.120 -9.630 -3.566
112 HG23 ILE 14 3HG2 ILE 14 -7.045 -9.810 -1.814
113 HD11 ILE 14 3HD1 ILE 14 -5.931 -7.207 -4.727
114 HD12 ILE 14 1HD1 ILE 14 -6.734 -6.048 -3.668
115 HD13 ILE 14 2HD1 ILE 14 -7.380 -7.681 -3.841
116 H LEU 15 H LEU 15 -2.269 -10.797 -1.922
117 HA LEU 15 HA LEU 15 -0.503 -8.564 -1.377
118 HB2 LEU 15 2HB LEU 15 0.099 -11.511 -1.591
119 HB3 LEU 15 1HB LEU 15 1.296 -10.281 -1.267
120 HG LEU 15 HG LEU 15 0.868 -11.264 0.804
121 HD11 LEU 15 1HD1 LEU 15 -0.127 -9.549 2.191
122 HD12 LEU 15 2HD1 LEU 15 -0.818 -8.787 0.766
123 HD13 LEU 15 3HD1 LEU 15 0.932 -8.861 0.959
124 HD21 LEU 15 3HD2 LEU 15 -1.145 -12.526 0.299
125 HD22 LEU 15 1HD2 LEU 15 -2.100 -11.042 0.276
126 HD23 LEU 15 2HD2 LEU 15 -1.377 -11.603 1.783
127 H GLY 16 H GLY 16 1.052 -7.875 -2.741
128 HA2 GLY 16 2HA GLY 16 2.216 -7.879 -4.810
129 HA3 GLY 16 1HA GLY 16 0.928 -8.874 -5.495
130 H PHE 17 H PHE 17 -0.671 -6.837 -3.683
131 HA PHE 17 HA PHE 17 -0.935 -4.800 -5.767
132 HB2 PHE 17 2HB PHE 17 -3.071 -5.990 -3.990
133 HB3 PHE 17 1HB PHE 17 -3.309 -4.592 -5.026
134 HD1 PHE 17 2HD PHE 17 -3.272 -4.855 -7.474
135 HD2 PHE 17 1HD PHE 17 -3.079 -8.205 -4.857
136 HE1 PHE 17 2HE PHE 17 -3.893 -6.335 -9.328
137 HE2 PHE 17 1HE PHE 17 -3.704 -9.693 -6.714
138 HZ PHE 17 HZ PHE 17 -4.114 -8.756 -8.953
139 H VAL 18 H VAL 18 -0.684 -2.779 -5.098
140 HA VAL 18 HA VAL 18 -0.562 -2.310 -2.223
141 HB VAL 18 HB VAL 18 0.677 -0.234 -2.738
142 HG11 VAL 18 1HG1 VAL 18 2.763 -1.256 -3.549
143 HG12 VAL 18 2HG1 VAL 18 1.850 -2.691 -4.021
144 HG13 VAL 18 3HG1 VAL 18 1.951 -2.228 -2.322
145 HG21 VAL 18 3HG2 VAL 18 1.499 0.222 -5.016
146 HG22 VAL 18 1HG2 VAL 18 -0.262 0.275 -4.945
147 HG23 VAL 18 2HG2 VAL 18 0.551 -1.132 -5.627
148 H TYR 19 H TYR 19 -1.868 -0.797 -1.281
149 HA TYR 19 HA TYR 19 -3.671 0.654 -3.015
150 HB2 TYR 19 2HB TYR 19 -4.495 -1.254 -0.869
151 HB3 TYR 19 1HB TYR 19 -5.499 0.130 -1.260
152 HD1 TYR 19 2HD TYR 19 -6.425 0.352 -3.566
153 HD2 TYR 19 1HD TYR 19 -4.495 -3.206 -2.264
154 HE1 TYR 19 2HE TYR 19 -7.480 -0.866 -5.387
155 HE2 TYR 19 1HE TYR 19 -5.547 -4.448 -4.095
156 HH TYR 19 HH TYR 19 -7.655 -4.182 -5.495
157 H CYS 20 H CYS 20 -3.199 2.606 -2.633
158 HA CYS 20 HA CYS 20 -3.756 3.785 -0.084
159 HB2 CYS 20 2HB CYS 20 -1.040 4.133 -1.445
160 HB3 CYS 20 1HB CYS 20 -1.652 5.173 -0.174
161 H CYS 21 H CYS 21 -3.437 6.244 -0.592
162 HA CYS 21 HA CYS 21 -4.948 6.887 -2.852
163 HB2 CYS 21 2HB CYS 21 -3.169 8.589 -1.126
164 HB3 CYS 21 1HB CYS 21 -4.169 9.255 -2.428
165 HA PRO 22 HA PRO 22 -2.281 6.604 -6.223
166 HB2 PRO 22 2HB PRO 22 -3.252 8.558 -7.870
167 HB3 PRO 22 1HB PRO 22 -4.048 7.003 -7.611
168 HG2 PRO 22 2HG PRO 22 -4.643 9.661 -6.409
169 HG3 PRO 22 1HG PRO 22 -5.769 8.397 -6.937
170 HD2 PRO 22 2HD PRO 22 -5.069 8.822 -4.309
171 HD3 PRO 22 1HD PRO 22 -5.563 7.239 -4.941
172 H GLY 23 H GLY 23 -0.298 7.208 -6.562
173 HA2 GLY 23 2HA GLY 23 1.261 8.989 -7.253
174 HA3 GLY 23 1HA GLY 23 0.422 10.037 -6.111
175 H LEU 24 H LEU 24 0.509 7.200 -4.611
176 HA LEU 24 HA LEU 24 2.960 7.953 -3.179
177 HB2 LEU 24 2HB LEU 24 0.765 6.165 -2.119
178 HB3 LEU 24 1HB LEU 24 2.054 6.944 -1.274
179 HG LEU 24 HG LEU 24 -0.113 8.540 -2.599
180 HD11 LEU 24 1HD1 LEU 24 0.118 7.618 0.241
181 HD12 LEU 24 2HD1 LEU 24 -1.148 7.209 -0.935
182 HD13 LEU 24 3HD1 LEU 24 -1.004 8.858 -0.335
183 HD21 LEU 24 3HD2 LEU 24 1.909 9.785 -2.278
184 HD22 LEU 24 1HD2 LEU 24 2.045 9.237 -0.600
185 HD23 LEU 24 2HD2 LEU 24 0.728 10.307 -1.077
186 H ILE 25 H ILE 25 4.189 6.160 -2.334
187 HA ILE 25 HA ILE 25 3.884 3.730 -3.945
188 HB ILE 25 HB ILE 25 6.358 3.453 -3.865
189 HG12 ILE 25 2HG1 ILE 25 6.400 6.374 -3.057
190 HG13 ILE 25 1HG1 ILE 25 6.804 5.027 -2.001
191 HG21 ILE 25 1HG2 ILE 25 5.343 5.866 -5.362
192 HG22 ILE 25 2HG2 ILE 25 5.294 4.189 -5.905
193 HG23 ILE 25 3HG2 ILE 25 6.843 5.010 -5.721
194 HD11 ILE 25 3HD1 ILE 25 8.276 5.836 -4.497
195 HD12 ILE 25 1HD1 ILE 25 8.686 4.468 -3.461
196 HD13 ILE 25 2HD1 ILE 25 8.795 6.109 -2.831
197 H CYS 26 H CYS 26 3.920 1.878 -2.853
198 HA CYS 26 HA CYS 26 4.332 2.085 0.029
199 HB2 CYS 26 2HB CYS 26 2.289 0.970 -0.993
200 HB3 CYS 26 1HB CYS 26 3.358 -0.330 -1.521
201 H GLY 27 H GLY 27 6.395 2.344 0.139
202 HA2 GLY 27 2HA GLY 27 8.249 0.757 -1.373
203 HA3 GLY 27 1HA GLY 27 8.644 2.015 -0.214
204 HA PRO 28 HA PRO 28 9.881 -0.992 2.675
205 HB2 PRO 28 2HB PRO 28 8.973 0.024 5.054
206 HB3 PRO 28 1HB PRO 28 10.393 0.635 4.206
207 HG2 PRO 28 2HG PRO 28 7.601 1.712 4.234
208 HG3 PRO 28 1HG PRO 28 9.133 2.598 4.299
209 HD2 PRO 28 2HD PRO 28 7.680 2.385 2.043
210 HD3 PRO 28 1HD PRO 28 9.453 2.445 2.022
211 H PHE 29 H PHE 29 7.020 -0.160 4.573
212 HA PHE 29 HA PHE 29 5.685 -2.557 3.585
213 HB2 PHE 29 2HB PHE 29 6.971 -2.908 5.782
214 HB3 PHE 29 1HB PHE 29 5.830 -1.789 6.510
215 HD1 PHE 29 1HD PHE 29 6.049 -4.982 4.674
216 HD2 PHE 29 2HD PHE 29 3.822 -2.572 7.347
217 HE1 PHE 29 1HE PHE 29 4.540 -6.883 5.105
218 HE2 PHE 29 2HE PHE 29 2.293 -4.455 7.788
219 HZ PHE 29 HZ PHE 29 2.647 -6.611 6.673
220 H VAL 30 H VAL 30 5.719 0.634 3.858
221 HA VAL 30 HA VAL 30 2.841 0.964 4.048
222 HB VAL 30 HB VAL 30 3.148 3.077 5.296
223 HG11 VAL 30 1HG1 VAL 30 3.725 2.166 7.493
224 HG12 VAL 30 2HG1 VAL 30 4.349 0.707 6.715
225 HG13 VAL 30 3HG1 VAL 30 2.635 1.117 6.591
226 HG21 VAL 30 3HG2 VAL 30 6.037 2.251 5.554
227 HG22 VAL 30 1HG2 VAL 30 5.285 3.634 6.347
228 HG23 VAL 30 2HG2 VAL 30 5.434 3.599 4.588
229 H CYS 31 H CYS 31 2.383 3.291 3.239
230 HA CYS 31 HA CYS 31 3.852 3.694 0.755
231 HB2 CYS 31 2HB CYS 31 1.223 4.713 1.798
232 HB3 CYS 31 1HB CYS 31 1.945 5.291 0.289
233 H VAL 32 H VAL 32 3.871 6.148 0.160
234 HA VAL 32 HA VAL 32 4.726 8.044 1.919
235 HB VAL 32 HB VAL 32 6.479 6.485 2.655
236 HG11 VAL 32 1HG1 VAL 32 6.710 5.102 0.652
237 HG12 VAL 32 2HG1 VAL 32 8.282 5.742 1.132
238 HG13 VAL 32 3HG1 VAL 32 7.414 6.460 -0.225
239 HG21 VAL 32 3HG2 VAL 32 7.021 8.826 2.662
240 HG22 VAL 32 1HG2 VAL 32 7.603 8.741 0.996
241 HG23 VAL 32 2HG2 VAL 32 8.452 7.875 2.288