Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633975 | 6mk5 RC | 30522 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 1HT ASP 1 -7.981 11.192 -3.079
2 H2 ASP 1 2HT ASP 1 -9.133 12.089 -2.244
3 H3 ASP 1 3HT ASP 1 -9.022 10.394 -2.055
4 HA ASP 1 HA ASP 1 -6.861 12.216 -1.287
5 HB2 ASP 1 2HB ASP 1 -8.902 10.777 0.439
6 HB3 ASP 1 1HB ASP 1 -7.480 11.619 1.045
7 H CYS 2 H CYS 2 -5.019 11.113 -0.702
8 HA CYS 2 HA CYS 2 -4.988 8.480 -1.716
9 HB2 CYS 2 2HB CYS 2 -2.847 10.352 -0.824
10 HB3 CYS 2 1HB CYS 2 -2.491 8.664 -1.155
11 H LEU 3 H LEU 3 -5.454 6.791 -0.652
12 HA LEU 3 HA LEU 3 -5.150 6.548 2.202
13 HB2 LEU 3 2HB LEU 3 -5.726 4.447 0.108
14 HB3 LEU 3 1HB LEU 3 -5.863 4.227 1.836
15 HG LEU 3 HG LEU 3 -7.587 5.996 0.116
16 HD11 LEU 3 1HD1 LEU 3 -8.211 3.440 1.584
17 HD12 LEU 3 2HD1 LEU 3 -7.957 3.579 -0.149
18 HD13 LEU 3 3HD1 LEU 3 -9.334 4.384 0.603
19 HD21 LEU 3 1HD2 LEU 3 -7.692 5.422 3.078
20 HD22 LEU 3 2HD2 LEU 3 -8.933 6.272 2.167
21 HD23 LEU 3 3HD2 LEU 3 -7.323 6.973 2.320
22 H GLY 4 H GLY 4 -3.533 5.395 3.217
23 HA2 GLY 4 2HA GLY 4 -1.919 3.518 2.652
24 HA3 GLY 4 1HA GLY 4 -1.290 4.682 1.496
25 H ALA 5 H ALA 5 0.400 5.693 2.151
26 HA ALA 5 HA ALA 5 2.132 6.283 3.411
27 HB1 ALA 5 1HB ALA 5 1.710 7.997 5.062
28 HB2 ALA 5 2HB ALA 5 0.022 7.506 5.185
29 HB3 ALA 5 3HB ALA 5 0.625 8.225 3.690
30 H PHE 6 H PHE 6 2.183 3.869 3.790
31 HA PHE 6 HA PHE 6 2.988 2.251 5.039
32 HB2 PHE 6 2HB PHE 6 3.286 4.363 7.181
33 HB3 PHE 6 1HB PHE 6 3.985 2.746 7.255
34 HD1 PHE 6 1HD PHE 6 4.287 6.075 5.877
35 HD2 PHE 6 2HD PHE 6 5.748 2.093 5.633
36 HE1 PHE 6 1HE PHE 6 6.242 6.874 4.632
37 HE2 PHE 6 2HE PHE 6 7.709 2.892 4.394
38 HZ PHE 6 HZ PHE 6 7.960 5.284 3.890
39 H ARG 7 H ARG 7 0.072 3.068 5.207
40 HA ARG 7 HA ARG 7 -0.814 1.772 7.617
41 HB2 ARG 7 2HB ARG 7 -2.185 2.743 5.130
42 HB3 ARG 7 1HB ARG 7 -3.032 1.655 6.216
43 HG2 ARG 7 2HG ARG 7 -1.806 4.233 7.153
44 HG3 ARG 7 1HG ARG 7 -3.451 4.136 6.522
45 HD2 ARG 7 2HD ARG 7 -2.371 2.587 8.884
46 HD3 ARG 7 1HD ARG 7 -3.421 4.001 8.970
47 HE ARG 7 HE ARG 7 -4.574 1.992 7.343
48 HH11 ARG 7 1HH1 ARG 7 -4.045 2.766 10.763
49 HH12 ARG 7 2HH1 ARG 7 -5.411 1.906 11.300
50 HH21 ARG 7 1HH2 ARG 7 -6.421 0.803 8.091
51 HH22 ARG 7 2HH2 ARG 7 -6.788 0.738 9.749
52 H LYS 8 H LYS 8 -1.300 -0.372 7.888
53 HA LYS 8 HA LYS 8 -0.090 -2.122 6.069
54 HB2 LYS 8 2HB LYS 8 -1.814 -2.743 8.459
55 HB3 LYS 8 1HB LYS 8 -0.978 -3.966 7.504
56 HG2 LYS 8 2HG LYS 8 1.158 -2.820 7.975
57 HG3 LYS 8 1HG LYS 8 0.294 -1.707 9.029
58 HD2 LYS 8 2HD LYS 8 -0.424 -3.614 10.397
59 HD3 LYS 8 1HD LYS 8 0.508 -4.690 9.356
60 HE2 LYS 8 2HE LYS 8 1.790 -4.153 11.355
61 HE3 LYS 8 1HE LYS 8 2.555 -3.455 9.929
62 HZ1 LYS 8 1HZ LYS 8 0.807 -1.997 11.824
63 HZ2 LYS 8 2HZ LYS 8 1.649 -1.309 10.516
64 HZ3 LYS 8 3HZ LYS 8 2.487 -1.946 11.818
65 H CYS 9 H CYS 9 -0.823 -3.638 4.725
66 HA CYS 9 HA CYS 9 -3.409 -2.895 3.544
67 HB2 CYS 9 2HB CYS 9 -2.294 -3.373 1.412
68 HB3 CYS 9 1HB CYS 9 -1.568 -2.029 2.298
69 H ILE 10 H ILE 10 -4.630 -4.466 2.574
70 HA ILE 10 HA ILE 10 -3.989 -7.262 3.117
71 HB ILE 10 HB ILE 10 -6.564 -5.965 2.151
72 HG12 ILE 10 2HG1 ILE 10 -6.083 -5.261 4.439
73 HG13 ILE 10 1HG1 ILE 10 -7.452 -6.364 4.408
74 HG21 ILE 10 1HG2 ILE 10 -6.379 -8.279 1.449
75 HG22 ILE 10 2HG2 ILE 10 -7.635 -8.091 2.673
76 HG23 ILE 10 3HG2 ILE 10 -6.069 -8.772 3.117
77 HD11 ILE 10 1HD1 ILE 10 -4.632 -7.020 5.230
78 HD12 ILE 10 2HD1 ILE 10 -5.957 -8.180 5.143
79 HD13 ILE 10 3HD1 ILE 10 -6.026 -6.848 6.295
80 HA PRO 11 HA PRO 11 -2.497 -7.079 -1.180
81 HB2 PRO 11 2HB PRO 11 -2.434 -10.019 -0.791
82 HB3 PRO 11 1HB PRO 11 -1.164 -8.934 -1.363
83 HG2 PRO 11 2HG PRO 11 -1.086 -9.948 1.097
84 HG3 PRO 11 1HG PRO 11 -0.576 -8.282 0.782
85 HD2 PRO 11 2HD PRO 11 -3.093 -9.286 2.022
86 HD3 PRO 11 1HD PRO 11 -2.137 -7.844 2.397
87 H ASP 12 H ASP 12 -5.043 -9.290 -0.080
88 HA ASP 12 HA ASP 12 -5.827 -9.955 -2.767
89 HB2 ASP 12 2HB ASP 12 -7.081 -10.635 -0.115
90 HB3 ASP 12 1HB ASP 12 -7.862 -11.024 -1.641
91 H ASN 13 H ASN 13 -6.436 -7.323 -0.856
92 HA ASN 13 HA ASN 13 -8.154 -6.260 -2.829
93 HB2 ASN 13 2HB ASN 13 -9.930 -5.440 -1.175
94 HB3 ASN 13 1HB ASN 13 -10.001 -7.142 -1.584
95 HD21 ASN 13 1HD2 ASN 13 -9.358 -4.821 0.927
96 HD22 ASN 13 2HD2 ASN 13 -9.358 -5.944 2.230
97 H ASP 14 H ASP 14 -6.218 -5.271 -3.040
98 HA ASP 14 HA ASP 14 -5.151 -3.648 -0.962
99 HB2 ASP 14 2HB ASP 14 -3.669 -4.667 -2.570
100 HB3 ASP 14 1HB ASP 14 -4.452 -3.802 -3.888
101 H LYS 15 H LYS 15 -5.902 -1.825 -0.358
102 HA LYS 15 HA LYS 15 -6.975 0.036 -2.316
103 HB2 LYS 15 2HB LYS 15 -7.948 -0.427 0.510
104 HB3 LYS 15 1HB LYS 15 -8.417 0.947 -0.481
105 HG2 LYS 15 2HG LYS 15 -9.478 -0.520 -2.086
106 HG3 LYS 15 1HG LYS 15 -8.918 -1.938 -1.204
107 HD2 LYS 15 2HD LYS 15 -11.268 -1.496 -0.716
108 HD3 LYS 15 1HD LYS 15 -10.289 -1.279 0.728
109 HE2 LYS 15 2HE LYS 15 -11.933 0.494 0.588
110 HE3 LYS 15 1HE LYS 15 -10.332 1.175 0.336
111 HZ1 LYS 15 1HZ LYS 15 -12.295 0.528 -1.799
112 HZ2 LYS 15 2HZ LYS 15 -10.774 1.221 -2.051
113 HZ3 LYS 15 3HZ LYS 15 -11.949 2.066 -1.212
114 H CYS 16 H CYS 16 -4.970 0.992 -2.554
115 HA CYS 16 HA CYS 16 -4.319 2.844 -0.397
116 HB2 CYS 16 2HB CYS 16 -2.243 1.664 -2.297
117 HB3 CYS 16 1HB CYS 16 -1.944 2.646 -0.875
118 H CYS 17 H CYS 17 -2.910 4.673 -1.734
119 HA CYS 17 HA CYS 17 -4.752 5.484 -3.791
120 HB2 CYS 17 2HB CYS 17 -3.623 6.997 -2.077
121 HB3 CYS 17 1HB CYS 17 -2.175 6.827 -3.054
122 H ARG 18 H ARG 18 -4.387 3.808 -5.345
123 HA ARG 18 HA ARG 18 -1.790 3.539 -6.519
124 HB2 ARG 18 2HB ARG 18 -4.483 2.462 -7.372
125 HB3 ARG 18 1HB ARG 18 -3.009 2.154 -8.267
126 HG2 ARG 18 2HG ARG 18 -2.074 1.113 -6.184
127 HG3 ARG 18 1HG ARG 18 -3.682 1.263 -5.475
128 HD2 ARG 18 2HD ARG 18 -4.618 -0.079 -7.292
129 HD3 ARG 18 1HD ARG 18 -3.024 -0.206 -8.020
130 HE ARG 18 HE ARG 18 -3.012 -1.181 -5.337
131 HH11 ARG 18 1HH1 ARG 18 -3.994 -2.141 -8.614
132 HH12 ARG 18 2HH1 ARG 18 -3.797 -3.808 -8.275
133 HH21 ARG 18 1HH2 ARG 18 -2.766 -3.317 -4.959
134 HH22 ARG 18 2HH2 ARG 18 -3.085 -4.538 -6.140
135 HA PRO 19 HA PRO 19 -1.043 2.899 -8.505
136 HB2 PRO 19 2HB PRO 19 0.574 3.655 -10.455
137 HB3 PRO 19 1HB PRO 19 -1.087 3.170 -10.813
138 HG2 PRO 19 2HG PRO 19 0.103 5.899 -10.707
139 HG3 PRO 19 1HG PRO 19 -1.154 5.264 -11.780
140 HD2 PRO 19 2HD PRO 19 -1.554 6.790 -9.439
141 HD3 PRO 19 1HD PRO 19 -2.795 5.906 -10.344
142 H ASN 20 H ASN 20 -0.698 5.677 -7.034
143 HA ASN 20 HA ASN 20 2.170 6.020 -7.053
144 HB2 ASN 20 2HB ASN 20 0.018 7.387 -5.441
145 HB3 ASN 20 1HB ASN 20 1.729 7.788 -5.342
146 HD21 ASN 20 1HD2 ASN 20 2.227 7.437 -8.209
147 HD22 ASN 20 2HD2 ASN 20 1.461 8.775 -8.969
148 H LEU 21 H LEU 21 -0.217 4.719 -4.848
149 HA LEU 21 HA LEU 21 2.006 3.557 -3.340
150 HB2 LEU 21 2HB LEU 21 -0.661 4.440 -2.203
151 HB3 LEU 21 1HB LEU 21 0.554 3.540 -1.339
152 HG LEU 21 HG LEU 21 2.098 5.555 -1.763
153 HD11 LEU 21 1HD1 LEU 21 -0.543 6.941 -2.071
154 HD12 LEU 21 2HD1 LEU 21 0.611 6.680 -3.379
155 HD13 LEU 21 3HD1 LEU 21 1.052 7.692 -2.001
156 HD21 LEU 21 1HD2 LEU 21 -0.244 5.748 0.090
157 HD22 LEU 21 2HD2 LEU 21 1.281 6.626 0.245
158 HD23 LEU 21 3HD2 LEU 21 1.254 4.868 0.395
159 H VAL 22 H VAL 22 1.899 1.445 -2.987
160 HA VAL 22 HA VAL 22 -0.559 -0.008 -3.666
161 HB VAL 22 HB VAL 22 2.211 -0.804 -4.668
162 HG11 VAL 22 1HG1 VAL 22 0.799 -2.715 -4.235
163 HG12 VAL 22 2HG1 VAL 22 1.060 -2.524 -5.971
164 HG13 VAL 22 3HG1 VAL 22 -0.477 -2.036 -5.247
165 HG21 VAL 22 1HG2 VAL 22 1.410 -0.328 -6.934
166 HG22 VAL 22 2HG2 VAL 22 1.429 1.120 -5.924
167 HG23 VAL 22 3HG2 VAL 22 -0.097 0.301 -6.264
168 H CYS 23 H CYS 23 -0.740 -1.991 -2.477
169 HA CYS 23 HA CYS 23 0.475 -2.194 0.004
170 HB2 CYS 23 2HB CYS 23 -1.585 -3.378 -0.564
171 HB3 CYS 23 1HB CYS 23 -0.707 -4.367 -1.717
172 H SER 24 H SER 24 2.676 -2.368 0.265
173 HA SER 24 HA SER 24 4.091 -4.135 -1.469
174 HB2 SER 24 2HB SER 24 4.866 -2.443 0.885
175 HB3 SER 24 1HB SER 24 5.996 -3.308 -0.165
176 HG SER 24 HG SER 24 4.103 -1.737 -1.401
177 H ARG 25 H ARG 25 3.715 -6.128 -1.079
178 HA ARG 25 HA ARG 25 2.519 -7.160 1.218
179 HB2 ARG 25 2HB ARG 25 3.982 -8.640 -0.958
180 HB3 ARG 25 1HB ARG 25 2.898 -9.369 0.223
181 HG2 ARG 25 2HG ARG 25 1.052 -8.020 -0.621
182 HG3 ARG 25 1HG ARG 25 2.126 -7.269 -1.792
183 HD2 ARG 25 2HD ARG 25 2.519 -9.492 -2.793
184 HD3 ARG 25 1HD ARG 25 1.357 -10.176 -1.650
185 HE ARG 25 HE ARG 25 0.280 -7.975 -3.075
186 HH11 ARG 25 1HH1 ARG 25 0.872 -11.436 -3.380
187 HH12 ARG 25 2HH1 ARG 25 -0.328 -11.670 -4.569
188 HH21 ARG 25 1HH2 ARG 25 -1.384 -8.317 -4.708
189 HH22 ARG 25 2HH2 ARG 25 -1.615 -9.886 -5.319
190 H LEU 26 H LEU 26 5.894 -7.117 0.262
191 HA LEU 26 HA LEU 26 6.775 -8.813 2.389
192 HB2 LEU 26 2HB LEU 26 8.371 -6.802 0.810
193 HB3 LEU 26 1HB LEU 26 9.012 -8.084 1.810
194 HG LEU 26 HG LEU 26 7.476 -8.451 -0.755
195 HD11 LEU 26 1HD1 LEU 26 9.612 -9.245 -1.623
196 HD12 LEU 26 2HD1 LEU 26 10.372 -8.886 -0.069
197 HD13 LEU 26 3HD1 LEU 26 9.730 -7.578 -1.052
198 HD21 LEU 26 1HD2 LEU 26 8.761 -10.471 1.079
199 HD22 LEU 26 2HD2 LEU 26 8.082 -10.820 -0.511
200 HD23 LEU 26 3HD2 LEU 26 7.030 -10.280 0.797
201 H HIS 27 H HIS 27 6.325 -5.402 2.008
202 HA HIS 27 HA HIS 27 7.623 -4.826 4.526
203 HB2 HIS 27 2HB HIS 27 6.216 -3.005 2.561
204 HB3 HIS 27 1HB HIS 27 6.954 -2.444 4.058
205 HD1 HIS 27 1HD HIS 27 9.641 -2.745 4.194
206 HD2 HIS 27 2HD HIS 27 7.938 -3.317 0.447
207 HE1 HIS 27 1HE HIS 27 11.540 -2.703 2.531
208 H ARG 28 H ARG 28 4.488 -5.297 3.284
209 HA ARG 28 HA ARG 28 2.594 -5.933 4.255
210 HB2 ARG 28 2HB ARG 28 3.956 -5.365 6.884
211 HB3 ARG 28 1HB ARG 28 2.280 -5.874 6.780
212 HG2 ARG 28 2HG ARG 28 4.527 -7.473 5.573
213 HG3 ARG 28 1HG ARG 28 4.009 -7.676 7.245
214 HD2 ARG 28 2HD ARG 28 2.974 -9.326 5.741
215 HD3 ARG 28 1HD ARG 28 1.786 -8.284 6.521
216 HE ARG 28 HE ARG 28 2.720 -7.910 3.766
217 HH11 ARG 28 1HH1 ARG 28 0.052 -8.416 6.023
218 HH12 ARG 28 2HH1 ARG 28 -1.162 -7.759 5.047
219 HH21 ARG 28 1HH2 ARG 28 0.959 -6.911 2.337
220 HH22 ARG 28 2HH2 ARG 28 -0.615 -6.838 2.981
221 H TRP 29 H TRP 29 3.500 -3.090 3.630
222 HA TRP 29 HA TRP 29 0.984 -1.933 4.492
223 HB2 TRP 29 2HB TRP 29 2.147 0.225 5.074
224 HB3 TRP 29 1HB TRP 29 2.368 -1.098 6.206
225 HD1 TRP 29 HD TRP 29 4.377 0.327 3.158
226 HE1 TRP 29 1HE TRP 29 6.875 0.268 3.785
227 HE3 TRP 29 3HE TRP 29 3.987 -1.737 7.816
228 HZ2 TRP 29 2HZ TRP 29 8.466 -0.552 5.988
229 HZ3 TRP 29 3HZ TRP 29 6.041 -2.117 9.120
230 HH2 TRP 29 HH TRP 29 8.229 -1.534 8.215
231 H CYS 30 H CYS 30 0.472 0.092 3.476
232 HA CYS 30 HA CYS 30 0.818 0.088 0.632
233 HB2 CYS 30 2HB CYS 30 -0.230 2.152 2.555
234 HB3 CYS 30 1HB CYS 30 -0.295 2.381 0.832
235 H LYS 31 H LYS 31 2.829 0.626 -0.160
236 HA LYS 31 HA LYS 31 4.079 2.930 1.135
237 HB2 LYS 31 2HB LYS 31 6.145 1.909 1.120
238 HB3 LYS 31 1HB LYS 31 5.196 0.459 1.037
239 HG2 LYS 31 2HG LYS 31 5.459 0.336 -1.358
240 HG3 LYS 31 1HG LYS 31 6.341 1.863 -1.363
241 HD2 LYS 31 2HD LYS 31 8.085 0.833 0.039
242 HD3 LYS 31 1HD LYS 31 7.183 -0.689 -0.003
243 HE2 LYS 31 2HE LYS 31 8.350 0.751 -2.387
244 HE3 LYS 31 1HE LYS 31 9.008 -0.693 -1.625
245 HZ1 LYS 31 1HZ LYS 31 6.400 -0.470 -3.026
246 HZ2 LYS 31 2HZ LYS 31 6.890 -1.833 -2.212
247 HZ3 LYS 31 3HZ LYS 31 7.750 -1.313 -3.566
248 H TYR 32 H TYR 32 5.482 4.115 -0.435
249 HA TYR 32 HA TYR 32 3.864 4.735 -2.732
250 HB2 TYR 32 2HB TYR 32 6.456 5.920 -1.692
251 HB3 TYR 32 1HB TYR 32 5.534 6.548 -3.048
252 HD1 TYR 32 1HD TYR 32 3.861 8.134 -2.684
253 HD2 TYR 32 2HD TYR 32 5.271 5.855 0.619
254 HE1 TYR 32 1HE TYR 32 2.543 9.522 -1.174
255 HE2 TYR 32 2HE TYR 32 3.947 7.244 2.149
256 HH TYR 32 HH TYR 32 1.524 9.307 1.058
257 H VAL 33 H VAL 33 4.491 4.392 -4.826
258 HA VAL 33 HA VAL 33 6.470 2.388 -5.319
259 HB VAL 33 HB VAL 33 5.076 4.198 -7.340
260 HG11 VAL 33 1HG1 VAL 33 6.452 1.534 -7.723
261 HG12 VAL 33 2HG1 VAL 33 7.043 3.096 -8.291
262 HG13 VAL 33 3HG1 VAL 33 5.562 2.411 -8.967
263 HG21 VAL 33 1HG2 VAL 33 3.468 2.959 -5.991
264 HG22 VAL 33 2HG2 VAL 33 4.295 1.447 -6.377
265 HG23 VAL 33 3HG2 VAL 33 3.494 2.369 -7.650
266 H PHE 34 H PHE 34 6.442 5.753 -5.032
267 HA PHE 34 HA PHE 34 9.087 6.050 -6.205
268 HB2 PHE 34 2HB PHE 34 7.343 8.141 -4.881
269 HB3 PHE 34 1HB PHE 34 8.787 8.433 -5.838
270 HD1 PHE 34 1HD PHE 34 5.354 8.613 -5.844
271 HD2 PHE 34 2HD PHE 34 8.576 7.334 -8.305
272 HE1 PHE 34 1HE PHE 34 3.936 8.884 -7.829
273 HE2 PHE 34 2HE PHE 34 7.168 7.603 -10.295
274 HZ PHE 34 HZ PHE 34 4.848 8.382 -10.065
Start of MODEL 2
1 H1 ASP 1 1HT ASP 1 -7.643 13.266 0.504
2 H2 ASP 1 2HT ASP 1 -6.926 14.192 1.761
3 H3 ASP 1 3HT ASP 1 -7.741 12.753 2.090
4 HA ASP 1 HA ASP 1 -5.338 12.822 0.433
5 HB2 ASP 1 2HB ASP 1 -5.687 11.963 3.318
6 HB3 ASP 1 1HB ASP 1 -4.236 11.731 2.356
7 H CYS 2 H CYS 2 -4.946 10.862 -0.506
8 HA CYS 2 HA CYS 2 -6.977 8.876 -0.098
9 HB2 CYS 2 2HB CYS 2 -5.763 7.758 -2.052
10 HB3 CYS 2 1HB CYS 2 -6.617 9.255 -2.392
11 H LEU 3 H LEU 3 -6.224 6.519 0.046
12 HA LEU 3 HA LEU 3 -4.847 6.369 2.486
13 HB2 LEU 3 2HB LEU 3 -5.589 4.130 0.630
14 HB3 LEU 3 1HB LEU 3 -5.100 3.950 2.299
15 HG LEU 3 HG LEU 3 -7.600 5.299 1.314
16 HD11 LEU 3 1HD1 LEU 3 -7.215 2.741 2.855
17 HD12 LEU 3 2HD1 LEU 3 -7.714 2.887 1.170
18 HD13 LEU 3 3HD1 LEU 3 -8.767 3.478 2.456
19 HD21 LEU 3 1HD2 LEU 3 -8.206 5.467 3.707
20 HD22 LEU 3 2HD2 LEU 3 -6.812 6.455 3.279
21 HD23 LEU 3 3HD2 LEU 3 -6.581 4.924 4.130
22 H GLY 4 H GLY 4 -2.925 5.884 3.051
23 HA2 GLY 4 2HA GLY 4 -0.961 4.639 1.487
24 HA3 GLY 4 1HA GLY 4 -0.799 6.398 1.402
25 H ALA 5 H ALA 5 0.693 7.079 2.705
26 HA ALA 5 HA ALA 5 2.106 7.314 4.455
27 HB1 ALA 5 1HB ALA 5 1.026 7.815 6.532
28 HB2 ALA 5 2HB ALA 5 -0.443 6.984 6.009
29 HB3 ALA 5 3HB ALA 5 0.074 8.467 5.195
30 H PHE 6 H PHE 6 1.968 4.600 3.606
31 HA PHE 6 HA PHE 6 2.736 2.549 4.154
32 HB2 PHE 6 2HB PHE 6 3.746 3.961 6.630
33 HB3 PHE 6 1HB PHE 6 4.235 2.358 6.099
34 HD1 PHE 6 1HD PHE 6 5.636 2.090 4.129
35 HD2 PHE 6 2HD PHE 6 4.584 5.936 5.600
36 HE1 PHE 6 1HE PHE 6 7.447 3.085 2.812
37 HE2 PHE 6 2HE PHE 6 6.395 6.939 4.278
38 HZ PHE 6 HZ PHE 6 7.830 5.512 2.884
39 H ARG 7 H ARG 7 -0.003 3.190 4.933
40 HA ARG 7 HA ARG 7 -0.312 1.901 7.482
41 HB2 ARG 7 2HB ARG 7 -2.377 2.753 5.451
42 HB3 ARG 7 1HB ARG 7 -2.759 2.050 7.014
43 HG2 ARG 7 2HG ARG 7 -1.308 4.660 6.563
44 HG3 ARG 7 1HG ARG 7 -2.998 4.485 7.021
45 HD2 ARG 7 2HD ARG 7 -1.823 5.002 9.024
46 HD3 ARG 7 1HD ARG 7 -2.185 3.283 9.095
47 HE ARG 7 HE ARG 7 0.433 4.064 8.097
48 HH11 ARG 7 1HH1 ARG 7 -1.463 2.745 10.804
49 HH12 ARG 7 2HH1 ARG 7 -0.118 2.212 11.687
50 HH21 ARG 7 1HH2 ARG 7 2.328 3.294 9.364
51 HH22 ARG 7 2HH2 ARG 7 2.058 2.583 10.878
52 H LYS 8 H LYS 8 -1.334 -0.075 7.835
53 HA LYS 8 HA LYS 8 -0.234 -2.040 6.136
54 HB2 LYS 8 2HB LYS 8 -1.945 -2.263 8.592
55 HB3 LYS 8 1HB LYS 8 -1.277 -3.651 7.739
56 HG2 LYS 8 2HG LYS 8 0.972 -2.835 8.110
57 HG3 LYS 8 1HG LYS 8 0.335 -1.401 8.912
58 HD2 LYS 8 2HD LYS 8 -0.595 -2.766 10.676
59 HD3 LYS 8 1HD LYS 8 -0.079 -4.235 9.841
60 HE2 LYS 8 2HE LYS 8 2.238 -3.597 10.077
61 HE3 LYS 8 1HE LYS 8 1.768 -2.066 10.811
62 HZ1 LYS 8 1HZ LYS 8 0.854 -3.264 12.669
63 HZ2 LYS 8 2HZ LYS 8 2.454 -3.723 12.450
64 HZ3 LYS 8 3HZ LYS 8 1.223 -4.747 11.957
65 H CYS 9 H CYS 9 -1.050 -3.365 4.739
66 HA CYS 9 HA CYS 9 -3.910 -3.214 4.161
67 HB2 CYS 9 2HB CYS 9 -3.205 -3.215 1.712
68 HB3 CYS 9 1HB CYS 9 -2.990 -1.709 2.602
69 H ILE 10 H ILE 10 -4.698 -5.018 2.905
70 HA ILE 10 HA ILE 10 -3.105 -7.466 3.122
71 HB ILE 10 HB ILE 10 -5.993 -7.036 2.243
72 HG12 ILE 10 2HG1 ILE 10 -5.710 -6.585 4.629
73 HG13 ILE 10 1HG1 ILE 10 -6.643 -8.053 4.386
74 HG21 ILE 10 1HG2 ILE 10 -6.252 -9.479 2.391
75 HG22 ILE 10 2HG2 ILE 10 -4.531 -9.630 2.746
76 HG23 ILE 10 3HG2 ILE 10 -5.056 -9.012 1.180
77 HD11 ILE 10 1HD1 ILE 10 -5.065 -8.301 6.218
78 HD12 ILE 10 2HD1 ILE 10 -3.727 -7.908 5.137
79 HD13 ILE 10 3HD1 ILE 10 -4.653 -9.390 4.893
80 HA PRO 11 HA PRO 11 -1.469 -6.206 -0.834
81 HB2 PRO 11 2HB PRO 11 -1.108 -9.144 -1.075
82 HB3 PRO 11 1HB PRO 11 0.048 -7.846 -1.422
83 HG2 PRO 11 2HG PRO 11 0.264 -9.211 0.821
84 HG3 PRO 11 1HG PRO 11 0.448 -7.445 0.843
85 HD2 PRO 11 2HD PRO 11 -1.847 -9.120 1.751
86 HD3 PRO 11 1HD PRO 11 -1.198 -7.610 2.424
87 H ASP 12 H ASP 12 -3.593 -9.022 -0.811
88 HA ASP 12 HA ASP 12 -4.145 -8.694 -3.647
89 HB2 ASP 12 2HB ASP 12 -5.043 -10.767 -1.657
90 HB3 ASP 12 1HB ASP 12 -5.665 -10.711 -3.298
91 H ASN 13 H ASN 13 -5.368 -7.174 -1.023
92 HA ASN 13 HA ASN 13 -7.934 -6.615 -2.358
93 HB2 ASN 13 2HB ASN 13 -7.675 -7.396 0.567
94 HB3 ASN 13 1HB ASN 13 -9.136 -6.782 -0.187
95 HD21 ASN 13 1HD2 ASN 13 -10.269 -8.121 -1.576
96 HD22 ASN 13 2HD2 ASN 13 -10.027 -9.835 -1.613
97 H ASP 14 H ASP 14 -5.379 -5.252 -1.927
98 HA ASP 14 HA ASP 14 -5.527 -3.609 0.379
99 HB2 ASP 14 2HB ASP 14 -3.514 -2.629 -0.288
100 HB3 ASP 14 1HB ASP 14 -3.413 -4.303 -0.821
101 H LYS 15 H LYS 15 -5.879 -1.487 0.618
102 HA LYS 15 HA LYS 15 -7.000 -0.084 -1.667
103 HB2 LYS 15 2HB LYS 15 -7.774 0.270 1.239
104 HB3 LYS 15 1HB LYS 15 -8.366 1.239 -0.096
105 HG2 LYS 15 2HG LYS 15 -9.407 -0.797 -1.046
106 HG3 LYS 15 1HG LYS 15 -8.914 -1.679 0.401
107 HD2 LYS 15 2HD LYS 15 -10.701 0.754 0.336
108 HD3 LYS 15 1HD LYS 15 -11.254 -0.905 0.533
109 HE2 LYS 15 2HE LYS 15 -9.433 0.587 2.440
110 HE3 LYS 15 1HE LYS 15 -11.155 0.326 2.664
111 HZ1 LYS 15 1HZ LYS 15 -10.756 -2.046 2.728
112 HZ2 LYS 15 2HZ LYS 15 -9.891 -1.268 3.921
113 HZ3 LYS 15 3HZ LYS 15 -9.099 -1.820 2.536
114 H CYS 16 H CYS 16 -5.091 0.777 -2.209
115 HA CYS 16 HA CYS 16 -4.113 2.861 -0.428
116 HB2 CYS 16 2HB CYS 16 -2.376 1.112 -2.227
117 HB3 CYS 16 1HB CYS 16 -1.807 2.419 -1.204
118 H CYS 17 H CYS 17 -3.233 4.629 -1.680
119 HA CYS 17 HA CYS 17 -4.897 5.370 -3.822
120 HB2 CYS 17 2HB CYS 17 -3.819 6.822 -2.067
121 HB3 CYS 17 1HB CYS 17 -2.314 6.627 -2.941
122 H ARG 18 H ARG 18 -4.483 3.678 -5.391
123 HA ARG 18 HA ARG 18 -1.875 3.471 -6.589
124 HB2 ARG 18 2HB ARG 18 -2.968 1.977 -8.286
125 HB3 ARG 18 1HB ARG 18 -3.165 1.444 -6.629
126 HG2 ARG 18 2HG ARG 18 -5.355 3.107 -7.619
127 HG3 ARG 18 1HG ARG 18 -5.118 1.600 -8.513
128 HD2 ARG 18 2HD ARG 18 -5.385 1.816 -5.519
129 HD3 ARG 18 1HD ARG 18 -6.681 1.344 -6.622
130 HE ARG 18 HE ARG 18 -5.224 -0.544 -7.280
131 HH11 ARG 18 1HH1 ARG 18 -4.619 0.956 -4.135
132 HH12 ARG 18 2HH1 ARG 18 -4.031 -0.547 -3.466
133 HH21 ARG 18 1HH2 ARG 18 -4.474 -2.520 -6.263
134 HH22 ARG 18 2HH2 ARG 18 -3.997 -2.484 -4.621
135 HA PRO 19 HA PRO 19 -1.169 2.734 -8.572
136 HB2 PRO 19 2HB PRO 19 0.278 3.338 -10.711
137 HB3 PRO 19 1HB PRO 19 -1.399 2.813 -10.887
138 HG2 PRO 19 2HG PRO 19 -0.233 5.530 -11.161
139 HG3 PRO 19 1HG PRO 19 -1.618 4.809 -11.994
140 HD2 PRO 19 2HD PRO 19 -1.667 6.534 -9.729
141 HD3 PRO 19 1HD PRO 19 -3.046 5.694 -10.464
142 H ASN 20 H ASN 20 -0.770 5.579 -7.346
143 HA ASN 20 HA ASN 20 2.089 5.886 -7.484
144 HB2 ASN 20 2HB ASN 20 0.016 7.337 -5.825
145 HB3 ASN 20 1HB ASN 20 1.735 7.692 -5.755
146 HD21 ASN 20 1HD2 ASN 20 1.362 9.816 -6.437
147 HD22 ASN 20 2HD2 ASN 20 0.984 10.183 -8.077
148 H LEU 21 H LEU 21 -0.281 4.673 -5.229
149 HA LEU 21 HA LEU 21 1.891 3.710 -3.514
150 HB2 LEU 21 2HB LEU 21 -0.917 4.401 -2.645
151 HB3 LEU 21 1HB LEU 21 0.435 3.970 -1.628
152 HG LEU 21 HG LEU 21 0.194 6.532 -3.212
153 HD11 LEU 21 1HD1 LEU 21 0.063 7.617 -1.067
154 HD12 LEU 21 2HD1 LEU 21 0.216 6.059 -0.264
155 HD13 LEU 21 3HD1 LEU 21 -1.234 6.418 -1.202
156 HD21 LEU 21 1HD2 LEU 21 2.240 7.190 -2.056
157 HD22 LEU 21 2HD2 LEU 21 2.482 5.814 -3.127
158 HD23 LEU 21 3HD2 LEU 21 2.371 5.564 -1.382
159 H VAL 22 H VAL 22 1.963 1.609 -3.399
160 HA VAL 22 HA VAL 22 -0.458 0.042 -3.893
161 HB VAL 22 HB VAL 22 0.876 -1.687 -5.071
162 HG11 VAL 22 1HG1 VAL 22 1.030 1.039 -6.337
163 HG12 VAL 22 2HG1 VAL 22 -0.335 -0.078 -6.413
164 HG13 VAL 22 3HG1 VAL 22 1.195 -0.492 -7.194
165 HG21 VAL 22 1HG2 VAL 22 3.068 -1.200 -4.133
166 HG22 VAL 22 2HG2 VAL 22 3.098 0.349 -4.970
167 HG23 VAL 22 3HG2 VAL 22 3.133 -1.152 -5.896
168 H CYS 23 H CYS 23 -0.255 -2.167 -2.975
169 HA CYS 23 HA CYS 23 0.685 -1.860 -0.284
170 HB2 CYS 23 2HB CYS 23 -1.456 -2.988 -0.997
171 HB3 CYS 23 1HB CYS 23 -0.474 -4.317 -1.590
172 H SER 24 H SER 24 2.537 -2.597 0.535
173 HA SER 24 HA SER 24 4.482 -3.992 -1.046
174 HB2 SER 24 2HB SER 24 5.154 -2.393 0.745
175 HB3 SER 24 1HB SER 24 4.373 -3.411 1.946
176 HG SER 24 HG SER 24 6.808 -3.634 0.727
177 H ARG 25 H ARG 25 4.462 -6.206 -1.315
178 HA ARG 25 HA ARG 25 2.389 -7.622 -0.001
179 HB2 ARG 25 2HB ARG 25 3.018 -9.594 -1.228
180 HB3 ARG 25 1HB ARG 25 3.016 -8.206 -2.296
181 HG2 ARG 25 2HG ARG 25 5.428 -8.138 -2.272
182 HG3 ARG 25 1HG ARG 25 5.474 -9.436 -1.072
183 HD2 ARG 25 2HD ARG 25 4.286 -10.884 -2.669
184 HD3 ARG 25 1HD ARG 25 4.412 -9.608 -3.881
185 HE ARG 25 HE ARG 25 6.954 -10.016 -3.080
186 HH11 ARG 25 1HH1 ARG 25 4.411 -12.109 -4.343
187 HH12 ARG 25 2HH1 ARG 25 5.455 -13.244 -5.049
188 HH21 ARG 25 1HH2 ARG 25 8.433 -11.562 -4.064
189 HH22 ARG 25 2HH2 ARG 25 7.823 -12.919 -4.889
190 H LEU 26 H LEU 26 5.833 -7.444 0.595
191 HA LEU 26 HA LEU 26 5.755 -9.650 2.442
192 HB2 LEU 26 2HB LEU 26 7.801 -9.159 1.226
193 HB3 LEU 26 1HB LEU 26 7.879 -7.570 1.961
194 HG LEU 26 HG LEU 26 8.182 -8.667 4.173
195 HD11 LEU 26 1HD1 LEU 26 8.833 -11.024 4.236
196 HD12 LEU 26 2HD1 LEU 26 8.419 -11.177 2.528
197 HD13 LEU 26 3HD1 LEU 26 7.164 -10.809 3.710
198 HD21 LEU 26 1HD2 LEU 26 10.509 -9.310 3.785
199 HD22 LEU 26 2HD2 LEU 26 10.086 -7.831 2.924
200 HD23 LEU 26 3HD2 LEU 26 10.204 -9.358 2.048
201 H HIS 27 H HIS 27 5.971 -6.134 2.728
202 HA HIS 27 HA HIS 27 6.022 -6.327 5.622
203 HB2 HIS 27 2HB HIS 27 6.130 -3.953 3.775
204 HB3 HIS 27 1HB HIS 27 6.280 -3.846 5.519
205 HD1 HIS 27 1HD HIS 27 8.583 -4.534 6.541
206 HD2 HIS 27 2HD HIS 27 8.318 -5.009 2.419
207 HE1 HIS 27 1HE HIS 27 10.938 -4.925 5.736
208 H ARG 28 H ARG 28 3.742 -5.875 3.191
209 HA ARG 28 HA ARG 28 1.670 -5.323 3.009
210 HB2 ARG 28 2HB ARG 28 1.419 -6.483 5.778
211 HB3 ARG 28 1HB ARG 28 0.047 -6.030 4.778
212 HG2 ARG 28 2HG ARG 28 0.153 -8.223 4.236
213 HG3 ARG 28 1HG ARG 28 1.294 -7.609 3.046
214 HD2 ARG 28 2HD ARG 28 2.308 -9.492 4.051
215 HD3 ARG 28 1HD ARG 28 3.112 -8.069 4.717
216 HE ARG 28 HE ARG 28 0.921 -8.855 6.303
217 HH11 ARG 28 1HH1 ARG 28 4.350 -9.527 5.713
218 HH12 ARG 28 2HH1 ARG 28 4.555 -10.461 7.112
219 HH21 ARG 28 1HH2 ARG 28 1.225 -10.103 8.275
220 HH22 ARG 28 2HH2 ARG 28 2.748 -10.781 8.599
221 H TRP 29 H TRP 29 2.599 -3.161 2.975
222 HA TRP 29 HA TRP 29 0.653 -1.556 4.297
223 HB2 TRP 29 2HB TRP 29 2.203 0.154 5.126
224 HB3 TRP 29 1HB TRP 29 2.497 -1.378 5.916
225 HD1 TRP 29 HD TRP 29 4.047 0.304 2.731
226 HE1 TRP 29 1HE TRP 29 6.609 0.175 2.964
227 HE3 TRP 29 3HE TRP 29 4.340 -2.044 7.241
228 HZ2 TRP 29 2HZ TRP 29 8.487 -0.750 4.805
229 HZ3 TRP 29 3HZ TRP 29 6.567 -2.500 8.181
230 HH2 TRP 29 HH TRP 29 8.594 -1.864 6.984
231 H CYS 30 H CYS 30 0.508 0.563 3.334
232 HA CYS 30 HA CYS 30 0.752 0.413 0.503
233 HB2 CYS 30 2HB CYS 30 0.144 2.785 2.270
234 HB3 CYS 30 1HB CYS 30 -0.096 2.756 0.536
235 H LYS 31 H LYS 31 2.663 0.505 -0.444
236 HA LYS 31 HA LYS 31 4.759 2.204 0.670
237 HB2 LYS 31 2HB LYS 31 6.343 0.901 -0.627
238 HB3 LYS 31 1HB LYS 31 5.345 -0.180 0.328
239 HG2 LYS 31 2HG LYS 31 4.097 -0.835 -1.634
240 HG3 LYS 31 1HG LYS 31 4.921 0.386 -2.608
241 HD2 LYS 31 2HD LYS 31 7.080 -0.775 -2.084
242 HD3 LYS 31 1HD LYS 31 6.138 -2.052 -1.318
243 HE2 LYS 31 2HE LYS 31 5.747 -1.208 -4.184
244 HE3 LYS 31 1HE LYS 31 6.880 -2.461 -3.706
245 HZ1 LYS 31 1HZ LYS 31 5.068 -3.785 -2.891
246 HZ2 LYS 31 2HZ LYS 31 4.764 -3.346 -4.467
247 HZ3 LYS 31 3HZ LYS 31 3.914 -2.599 -3.238
248 H TYR 32 H TYR 32 6.046 3.421 -0.798
249 HA TYR 32 HA TYR 32 4.377 4.756 -2.739
250 HB2 TYR 32 2HB TYR 32 7.065 5.448 -1.521
251 HB3 TYR 32 1HB TYR 32 6.273 6.430 -2.747
252 HD1 TYR 32 1HD TYR 32 5.644 4.988 0.666
253 HD2 TYR 32 2HD TYR 32 4.843 8.147 -2.065
254 HE1 TYR 32 1HE TYR 32 4.374 6.154 2.396
255 HE2 TYR 32 2HE TYR 32 3.566 9.322 -0.336
256 HH TYR 32 HH TYR 32 3.670 8.538 2.907
257 H VAL 33 H VAL 33 4.591 4.573 -4.860
258 HA VAL 33 HA VAL 33 6.721 2.889 -5.930
259 HB VAL 33 HB VAL 33 4.338 4.115 -7.367
260 HG11 VAL 33 1HG1 VAL 33 4.766 2.426 -9.090
261 HG12 VAL 33 2HG1 VAL 33 6.192 1.892 -8.206
262 HG13 VAL 33 3HG1 VAL 33 6.136 3.517 -8.890
263 HG21 VAL 33 1HG2 VAL 33 3.595 2.601 -5.626
264 HG22 VAL 33 2HG2 VAL 33 4.670 1.345 -6.241
265 HG23 VAL 33 3HG2 VAL 33 3.312 1.900 -7.219
266 H PHE 34 H PHE 34 5.703 6.178 -5.805
267 HA PHE 34 HA PHE 34 7.833 6.924 -7.656
268 HB2 PHE 34 2HB PHE 34 5.360 8.487 -6.841
269 HB3 PHE 34 1HB PHE 34 6.625 9.090 -7.897
270 HD1 PHE 34 1HD PHE 34 3.896 6.669 -7.578
271 HD2 PHE 34 2HD PHE 34 6.674 8.495 -10.203
272 HE1 PHE 34 1HE PHE 34 2.663 5.743 -9.516
273 HE2 PHE 34 2HE PHE 34 5.467 7.580 -12.139
274 HZ PHE 34 HZ PHE 34 3.461 6.201 -11.796
Start of MODEL 3
1 H1 ASP 1 1HT ASP 1 -10.800 10.316 0.254
2 H2 ASP 1 2HT ASP 1 -10.450 8.660 0.136
3 H3 ASP 1 3HT ASP 1 -9.866 9.720 -1.015
4 HA ASP 1 HA ASP 1 -8.485 10.803 0.585
5 HB2 ASP 1 2HB ASP 1 -9.783 10.445 2.609
6 HB3 ASP 1 1HB ASP 1 -9.603 8.700 2.458
7 H CYS 2 H CYS 2 -6.526 10.294 0.023
8 HA CYS 2 HA CYS 2 -6.003 7.747 -1.098
9 HB2 CYS 2 2HB CYS 2 -4.488 10.291 -0.864
10 HB3 CYS 2 1HB CYS 2 -3.582 8.843 -1.261
11 H LEU 3 H LEU 3 -5.828 6.101 0.158
12 HA LEU 3 HA LEU 3 -4.637 6.176 2.733
13 HB2 LEU 3 2HB LEU 3 -5.235 3.808 0.967
14 HB3 LEU 3 1HB LEU 3 -4.882 3.742 2.674
15 HG LEU 3 HG LEU 3 -7.344 5.029 1.478
16 HD11 LEU 3 1HD1 LEU 3 -8.556 3.128 2.389
17 HD12 LEU 3 2HD1 LEU 3 -7.046 2.411 2.937
18 HD13 LEU 3 3HD1 LEU 3 -7.356 2.598 1.209
19 HD21 LEU 3 1HD2 LEU 3 -6.682 6.054 3.574
20 HD22 LEU 3 2HD2 LEU 3 -6.576 4.467 4.338
21 HD23 LEU 3 3HD2 LEU 3 -8.136 5.083 3.792
22 H GLY 4 H GLY 4 -2.638 5.858 3.243
23 HA2 GLY 4 2HA GLY 4 -0.688 4.514 1.713
24 HA3 GLY 4 1HA GLY 4 -0.586 6.269 1.516
25 H ALA 5 H ALA 5 1.101 6.861 2.656
26 HA ALA 5 HA ALA 5 2.409 7.357 4.418
27 HB1 ALA 5 1HB ALA 5 1.255 8.014 6.442
28 HB2 ALA 5 2HB ALA 5 -0.191 7.149 5.921
29 HB3 ALA 5 3HB ALA 5 0.369 8.558 5.017
30 H PHE 6 H PHE 6 2.160 4.504 3.840
31 HA PHE 6 HA PHE 6 3.063 2.572 4.569
32 HB2 PHE 6 2HB PHE 6 3.779 4.020 7.148
33 HB3 PHE 6 1HB PHE 6 4.398 2.461 6.641
34 HD1 PHE 6 1HD PHE 6 5.925 2.382 4.617
35 HD2 PHE 6 2HD PHE 6 4.802 6.018 6.509
36 HE1 PHE 6 1HE PHE 6 7.859 3.524 3.587
37 HE2 PHE 6 2HE PHE 6 6.717 7.159 5.486
38 HZ PHE 6 HZ PHE 6 8.252 5.913 4.018
39 H ARG 7 H ARG 7 0.217 3.375 5.172
40 HA ARG 7 HA ARG 7 -0.387 2.030 7.658
41 HB2 ARG 7 2HB ARG 7 -2.203 2.974 5.429
42 HB3 ARG 7 1HB ARG 7 -2.785 2.168 6.872
43 HG2 ARG 7 2HG ARG 7 -1.383 4.834 6.742
44 HG3 ARG 7 1HG ARG 7 -3.095 4.555 7.061
45 HD2 ARG 7 2HD ARG 7 -0.761 3.763 8.808
46 HD3 ARG 7 1HD ARG 7 -1.968 4.997 9.141
47 HE ARG 7 HE ARG 7 -3.388 2.687 8.821
48 HH11 ARG 7 1HH1 ARG 7 -0.865 3.841 11.031
49 HH12 ARG 7 2HH1 ARG 7 -1.213 2.730 12.260
50 HH21 ARG 7 1HH2 ARG 7 -3.914 1.194 10.537
51 HH22 ARG 7 2HH2 ARG 7 -3.009 1.176 11.983
52 H LYS 8 H LYS 8 -1.034 -0.023 7.972
53 HA LYS 8 HA LYS 8 -0.228 -1.846 5.944
54 HB2 LYS 8 2HB LYS 8 -1.462 -2.396 8.642
55 HB3 LYS 8 1HB LYS 8 -0.795 -3.615 7.567
56 HG2 LYS 8 2HG LYS 8 1.400 -2.443 7.714
57 HG3 LYS 8 1HG LYS 8 0.690 -1.395 8.945
58 HD2 LYS 8 2HD LYS 8 0.185 -3.401 10.297
59 HD3 LYS 8 1HD LYS 8 0.975 -4.390 9.072
60 HE2 LYS 8 2HE LYS 8 2.524 -3.994 10.876
61 HE3 LYS 8 1HE LYS 8 3.066 -3.127 9.444
62 HZ1 LYS 8 1HZ LYS 8 1.646 -1.935 11.771
63 HZ2 LYS 8 2HZ LYS 8 2.088 -1.098 10.390
64 HZ3 LYS 8 3HZ LYS 8 3.269 -1.741 11.382
65 H CYS 9 H CYS 9 -1.414 -3.238 4.782
66 HA CYS 9 HA CYS 9 -4.303 -2.994 4.859
67 HB2 CYS 9 2HB CYS 9 -4.290 -2.583 2.381
68 HB3 CYS 9 1HB CYS 9 -3.662 -1.249 3.349
69 H ILE 10 H ILE 10 -5.135 -4.524 2.974
70 HA ILE 10 HA ILE 10 -3.841 -7.067 3.462
71 HB ILE 10 HB ILE 10 -6.522 -6.395 2.190
72 HG12 ILE 10 2HG1 ILE 10 -5.874 -7.426 4.961
73 HG13 ILE 10 1HG1 ILE 10 -6.392 -5.790 4.569
74 HG21 ILE 10 1HG2 ILE 10 -7.033 -8.768 2.458
75 HG22 ILE 10 2HG2 ILE 10 -5.404 -9.049 3.074
76 HG23 ILE 10 3HG2 ILE 10 -5.635 -8.513 1.410
77 HD11 ILE 10 1HD1 ILE 10 -8.539 -6.664 3.805
78 HD12 ILE 10 2HD1 ILE 10 -8.210 -7.110 5.479
79 HD13 ILE 10 3HD1 ILE 10 -8.008 -8.299 4.194
80 HA PRO 11 HA PRO 11 -2.024 -6.489 -0.691
81 HB2 PRO 11 2HB PRO 11 -0.933 -9.183 -0.286
82 HB3 PRO 11 1HB PRO 11 -0.075 -7.659 -0.513
83 HG2 PRO 11 2HG PRO 11 -0.139 -8.954 1.850
84 HG3 PRO 11 1HG PRO 11 -0.056 -7.181 1.737
85 HD2 PRO 11 2HD PRO 11 -2.383 -8.955 2.354
86 HD3 PRO 11 1HD PRO 11 -1.928 -7.379 3.043
87 H ASP 12 H ASP 12 -4.159 -8.791 0.396
88 HA ASP 12 HA ASP 12 -4.511 -10.314 -2.028
89 HB2 ASP 12 2HB ASP 12 -6.426 -9.976 0.308
90 HB3 ASP 12 1HB ASP 12 -6.602 -11.129 -0.995
91 H ASN 13 H ASN 13 -5.386 -7.232 -0.987
92 HA ASN 13 HA ASN 13 -6.581 -6.570 -3.411
93 HB2 ASN 13 2HB ASN 13 -8.792 -5.709 -2.482
94 HB3 ASN 13 1HB ASN 13 -8.675 -7.453 -2.593
95 HD21 ASN 13 1HD2 ASN 13 -8.696 -8.664 -0.710
96 HD22 ASN 13 2HD2 ASN 13 -9.123 -8.005 0.823
97 H ASP 14 H ASP 14 -4.951 -5.244 -3.474
98 HA ASP 14 HA ASP 14 -4.108 -3.477 -1.506
99 HB2 ASP 14 2HB ASP 14 -2.947 -2.190 -3.292
100 HB3 ASP 14 1HB ASP 14 -2.650 -3.916 -3.384
101 H LYS 15 H LYS 15 -5.028 -1.912 -0.562
102 HA LYS 15 HA LYS 15 -6.805 -0.180 -2.099
103 HB2 LYS 15 2HB LYS 15 -7.109 -1.011 0.794
104 HB3 LYS 15 1HB LYS 15 -8.057 0.251 0.024
105 HG2 LYS 15 2HG LYS 15 -8.951 -1.370 -1.550
106 HG3 LYS 15 1HG LYS 15 -8.004 -2.648 -0.784
107 HD2 LYS 15 2HD LYS 15 -9.228 -2.302 1.286
108 HD3 LYS 15 1HD LYS 15 -10.129 -0.980 0.539
109 HE2 LYS 15 2HE LYS 15 -11.049 -2.534 -1.108
110 HE3 LYS 15 1HE LYS 15 -10.148 -3.855 -0.370
111 HZ1 LYS 15 1HZ LYS 15 -12.432 -3.816 0.372
112 HZ2 LYS 15 2HZ LYS 15 -12.245 -2.247 0.971
113 HZ3 LYS 15 3HZ LYS 15 -11.386 -3.527 1.654
114 H CYS 16 H CYS 16 -5.198 1.184 -2.588
115 HA CYS 16 HA CYS 16 -4.299 2.940 -0.471
116 HB2 CYS 16 2HB CYS 16 -2.381 1.724 -2.480
117 HB3 CYS 16 1HB CYS 16 -1.985 2.833 -1.180
118 H CYS 17 H CYS 17 -3.125 4.808 -1.676
119 HA CYS 17 HA CYS 17 -4.785 5.644 -3.858
120 HB2 CYS 17 2HB CYS 17 -3.874 7.129 -2.070
121 HB3 CYS 17 1HB CYS 17 -2.276 6.948 -2.776
122 H ARG 18 H ARG 18 -4.290 3.903 -5.201
123 HA ARG 18 HA ARG 18 -1.641 3.523 -6.266
124 HB2 ARG 18 2HB ARG 18 -2.754 1.684 -7.580
125 HB3 ARG 18 1HB ARG 18 -2.921 1.550 -5.836
126 HG2 ARG 18 2HG ARG 18 -5.185 2.486 -6.017
127 HG3 ARG 18 1HG ARG 18 -5.000 2.534 -7.770
128 HD2 ARG 18 2HD ARG 18 -4.680 0.125 -7.803
129 HD3 ARG 18 1HD ARG 18 -4.836 0.072 -6.048
130 HE ARG 18 HE ARG 18 -7.045 1.270 -7.437
131 HH11 ARG 18 1HH1 ARG 18 -5.724 -1.726 -6.047
132 HH12 ARG 18 2HH1 ARG 18 -7.224 -2.525 -6.027
133 HH21 ARG 18 1HH2 ARG 18 -9.079 0.182 -7.373
134 HH22 ARG 18 2HH2 ARG 18 -9.195 -1.416 -6.803
135 HA PRO 19 HA PRO 19 -0.989 2.411 -8.157
136 HB2 PRO 19 2HB PRO 19 0.627 2.793 -10.234
137 HB3 PRO 19 1HB PRO 19 -1.021 2.200 -10.470
138 HG2 PRO 19 2HG PRO 19 0.091 4.931 -10.917
139 HG3 PRO 19 1HG PRO 19 -1.130 4.052 -11.849
140 HD2 PRO 19 2HD PRO 19 -1.636 6.011 -9.905
141 HD3 PRO 19 1HD PRO 19 -2.825 4.869 -10.559
142 H ASN 20 H ASN 20 -0.634 5.490 -7.387
143 HA ASN 20 HA ASN 20 2.187 5.892 -7.321
144 HB2 ASN 20 2HB ASN 20 -0.038 7.222 -5.763
145 HB3 ASN 20 1HB ASN 20 1.643 7.731 -5.697
146 HD21 ASN 20 1HD2 ASN 20 -0.763 9.127 -6.623
147 HD22 ASN 20 2HD2 ASN 20 -0.450 9.585 -8.248
148 H LEU 21 H LEU 21 -0.154 4.647 -5.044
149 HA LEU 21 HA LEU 21 2.028 3.678 -3.319
150 HB2 LEU 21 2HB LEU 21 -0.744 4.424 -2.379
151 HB3 LEU 21 1HB LEU 21 0.673 4.093 -1.405
152 HG LEU 21 HG LEU 21 0.238 6.551 -3.090
153 HD11 LEU 21 1HD1 LEU 21 0.366 6.164 -0.135
154 HD12 LEU 21 2HD1 LEU 21 -1.120 6.433 -1.050
155 HD13 LEU 21 3HD1 LEU 21 0.116 7.698 -0.966
156 HD21 LEU 21 1HD2 LEU 21 2.276 7.363 -2.045
157 HD22 LEU 21 2HD2 LEU 21 2.574 5.931 -3.028
158 HD23 LEU 21 3HD2 LEU 21 2.507 5.798 -1.269
159 H VAL 22 H VAL 22 1.724 1.513 -2.707
160 HA VAL 22 HA VAL 22 -0.794 0.239 -3.341
161 HB VAL 22 HB VAL 22 0.567 0.157 -5.451
162 HG11 VAL 22 1HG1 VAL 22 2.781 0.028 -4.563
163 HG12 VAL 22 2HG1 VAL 22 2.483 -1.352 -5.621
164 HG13 VAL 22 3HG1 VAL 22 2.451 -1.558 -3.868
165 HG21 VAL 22 1HG2 VAL 22 0.247 -2.246 -5.921
166 HG22 VAL 22 2HG2 VAL 22 -1.141 -1.531 -5.097
167 HG23 VAL 22 3HG2 VAL 22 0.001 -2.530 -4.197
168 H CYS 23 H CYS 23 -1.032 -1.863 -2.271
169 HA CYS 23 HA CYS 23 0.283 -2.123 0.144
170 HB2 CYS 23 2HB CYS 23 -1.452 -3.956 -1.489
171 HB3 CYS 23 1HB CYS 23 -0.864 -4.335 0.118
172 H SER 24 H SER 24 2.350 -2.641 0.226
173 HA SER 24 HA SER 24 3.691 -4.286 -1.640
174 HB2 SER 24 2HB SER 24 4.869 -2.701 -0.281
175 HB3 SER 24 1HB SER 24 4.273 -3.477 1.187
176 HG SER 24 HG SER 24 6.077 -4.600 -0.724
177 H ARG 25 H ARG 25 3.867 -6.477 -1.654
178 HA ARG 25 HA ARG 25 2.149 -8.040 0.003
179 HB2 ARG 25 2HB ARG 25 3.030 -9.972 -1.182
180 HB3 ARG 25 1HB ARG 25 2.725 -8.684 -2.338
181 HG2 ARG 25 2HG ARG 25 5.087 -8.142 -2.385
182 HG3 ARG 25 1HG ARG 25 5.417 -9.379 -1.180
183 HD2 ARG 25 2HD ARG 25 4.512 -11.057 -2.795
184 HD3 ARG 25 1HD ARG 25 4.418 -9.757 -3.991
185 HE ARG 25 HE ARG 25 6.971 -10.152 -2.695
186 HH11 ARG 25 1HH1 ARG 25 5.016 -10.766 -5.580
187 HH12 ARG 25 2HH1 ARG 25 6.339 -11.228 -6.533
188 HH21 ARG 25 1HH2 ARG 25 8.775 -10.760 -4.024
189 HH22 ARG 25 2HH2 ARG 25 8.505 -11.232 -5.647
190 H LEU 26 H LEU 26 5.446 -7.028 0.159
191 HA LEU 26 HA LEU 26 6.108 -8.998 2.190
192 HB2 LEU 26 2HB LEU 26 7.734 -8.521 0.432
193 HB3 LEU 26 1HB LEU 26 7.780 -6.842 0.925
194 HG LEU 26 HG LEU 26 8.690 -7.557 3.124
195 HD11 LEU 26 1HD1 LEU 26 9.617 -9.807 3.341
196 HD12 LEU 26 2HD1 LEU 26 8.871 -10.259 1.809
197 HD13 LEU 26 3HD1 LEU 26 7.861 -9.831 3.190
198 HD21 LEU 26 1HD2 LEU 26 10.261 -8.412 0.713
199 HD22 LEU 26 2HD2 LEU 26 10.926 -8.021 2.301
200 HD23 LEU 26 3HD2 LEU 26 10.137 -6.769 1.340
201 H HIS 27 H HIS 27 5.890 -5.461 1.837
202 HA HIS 27 HA HIS 27 6.512 -5.061 4.622
203 HB2 HIS 27 2HB HIS 27 5.586 -3.068 2.525
204 HB3 HIS 27 1HB HIS 27 6.011 -2.650 4.171
205 HD1 HIS 27 1HD HIS 27 8.377 -1.873 4.442
206 HD2 HIS 27 2HD HIS 27 7.879 -4.284 1.095
207 HE1 HIS 27 1HE HIS 27 10.595 -1.864 3.246
208 H ARG 28 H ARG 28 3.686 -5.572 2.762
209 HA ARG 28 HA ARG 28 1.545 -5.941 3.276
210 HB2 ARG 28 2HB ARG 28 2.368 -5.742 6.178
211 HB3 ARG 28 1HB ARG 28 0.901 -6.486 5.554
212 HG2 ARG 28 2HG ARG 28 2.253 -8.158 4.393
213 HG3 ARG 28 1HG ARG 28 3.711 -7.414 5.038
214 HD2 ARG 28 2HD ARG 28 2.845 -7.849 7.323
215 HD3 ARG 28 1HD ARG 28 1.504 -8.735 6.591
216 HE ARG 28 HE ARG 28 4.293 -9.463 6.101
217 HH11 ARG 28 1HH1 ARG 28 1.039 -10.399 7.105
218 HH12 ARG 28 2HH1 ARG 28 1.411 -12.058 7.241
219 HH21 ARG 28 1HH2 ARG 28 4.804 -11.716 6.277
220 HH22 ARG 28 2HH2 ARG 28 3.611 -12.834 6.739
221 H TRP 29 H TRP 29 2.782 -3.170 3.249
222 HA TRP 29 HA TRP 29 0.354 -1.840 4.134
223 HB2 TRP 29 2HB TRP 29 1.592 0.053 5.071
224 HB3 TRP 29 1HB TRP 29 1.923 -1.424 5.941
225 HD1 TRP 29 HD TRP 29 3.726 0.407 2.980
226 HE1 TRP 29 1HE TRP 29 6.252 0.522 3.574
227 HE3 TRP 29 3HE TRP 29 3.617 -1.944 7.504
228 HZ2 TRP 29 2HZ TRP 29 7.930 -0.247 5.681
229 HZ3 TRP 29 3HZ TRP 29 5.727 -2.206 8.754
230 HH2 TRP 29 HH TRP 29 7.828 -1.375 7.854
231 H CYS 30 H CYS 30 0.155 0.327 3.335
232 HA CYS 30 HA CYS 30 0.560 0.432 0.525
233 HB2 CYS 30 2HB CYS 30 -0.328 2.487 2.541
234 HB3 CYS 30 1HB CYS 30 -0.318 2.786 0.817
235 H LYS 31 H LYS 31 2.651 0.520 -0.030
236 HA LYS 31 HA LYS 31 4.325 2.453 1.369
237 HB2 LYS 31 2HB LYS 31 6.245 1.302 0.562
238 HB3 LYS 31 1HB LYS 31 5.154 0.093 1.201
239 HG2 LYS 31 2HG LYS 31 4.489 -0.523 -1.063
240 HG3 LYS 31 1HG LYS 31 5.533 0.738 -1.720
241 HD2 LYS 31 2HD LYS 31 6.483 -1.609 -0.061
242 HD3 LYS 31 1HD LYS 31 6.584 -1.511 -1.821
243 HE2 LYS 31 2HE LYS 31 7.949 0.353 0.143
244 HE3 LYS 31 1HE LYS 31 8.705 -1.005 -0.667
245 HZ1 LYS 31 1HZ LYS 31 8.293 0.101 -2.802
246 HZ2 LYS 31 2HZ LYS 31 9.254 0.977 -1.782
247 HZ3 LYS 31 3HZ LYS 31 7.675 1.472 -2.013
248 H TYR 32 H TYR 32 5.857 3.629 0.014
249 HA TYR 32 HA TYR 32 4.435 4.838 -2.170
250 HB2 TYR 32 2HB TYR 32 7.141 5.462 -0.951
251 HB3 TYR 32 1HB TYR 32 6.289 6.460 -2.120
252 HD1 TYR 32 1HD TYR 32 4.369 7.783 -1.441
253 HD2 TYR 32 2HD TYR 32 6.453 5.422 1.402
254 HE1 TYR 32 1HE TYR 32 3.233 8.976 0.368
255 HE2 TYR 32 2HE TYR 32 5.331 6.602 3.222
256 HH TYR 32 HH TYR 32 4.240 8.842 3.562
257 H VAL 33 H VAL 33 4.759 4.176 -4.199
258 HA VAL 33 HA VAL 33 7.247 2.783 -4.676
259 HB VAL 33 HB VAL 33 6.129 1.663 -6.663
260 HG11 VAL 33 1HG1 VAL 33 4.959 1.105 -3.943
261 HG12 VAL 33 2HG1 VAL 33 6.486 0.481 -4.564
262 HG13 VAL 33 3HG1 VAL 33 4.965 -0.012 -5.308
263 HG21 VAL 33 1HG2 VAL 33 3.674 1.537 -6.661
264 HG22 VAL 33 2HG2 VAL 33 4.251 3.185 -6.937
265 HG23 VAL 33 3HG2 VAL 33 3.627 2.725 -5.354
266 H PHE 34 H PHE 34 8.578 4.170 -5.288
267 HA PHE 34 HA PHE 34 8.336 5.427 -7.826
268 HB2 PHE 34 2HB PHE 34 7.185 7.046 -6.226
269 HB3 PHE 34 1HB PHE 34 8.709 7.165 -5.361
270 HD1 PHE 34 1HD PHE 34 10.539 8.451 -6.259
271 HD2 PHE 34 2HD PHE 34 6.929 7.986 -8.451
272 HE1 PHE 34 1HE PHE 34 11.229 10.256 -7.772
273 HE2 PHE 34 2HE PHE 34 7.612 9.788 -9.973
274 HZ PHE 34 HZ PHE 34 9.769 10.928 -9.635
Start of MODEL 4
1 H1 ASP 1 1HT ASP 1 -3.842 13.841 3.926
2 H2 ASP 1 2HT ASP 1 -4.162 12.220 4.282
3 H3 ASP 1 3HT ASP 1 -5.402 13.202 3.779
4 HA ASP 1 HA ASP 1 -4.447 13.452 1.615
5 HB2 ASP 1 2HB ASP 1 -2.044 12.957 2.564
6 HB3 ASP 1 1HB ASP 1 -2.500 11.265 2.442
7 H CYS 2 H CYS 2 -4.073 10.870 0.338
8 HA CYS 2 HA CYS 2 -6.655 9.773 1.004
9 HB2 CYS 2 2HB CYS 2 -6.444 8.615 -1.108
10 HB3 CYS 2 1HB CYS 2 -6.116 10.324 -1.331
11 H LEU 3 H LEU 3 -6.582 7.185 0.592
12 HA LEU 3 HA LEU 3 -5.276 6.145 2.819
13 HB2 LEU 3 2HB LEU 3 -6.328 4.682 0.432
14 HB3 LEU 3 1HB LEU 3 -5.922 3.946 1.963
15 HG LEU 3 HG LEU 3 -8.109 5.958 1.520
16 HD11 LEU 3 1HD1 LEU 3 -9.637 4.079 1.955
17 HD12 LEU 3 2HD1 LEU 3 -8.255 2.988 2.040
18 HD13 LEU 3 3HD1 LEU 3 -8.645 3.801 0.524
19 HD21 LEU 3 1HD2 LEU 3 -7.200 6.143 3.760
20 HD22 LEU 3 2HD2 LEU 3 -7.339 4.399 3.985
21 HD23 LEU 3 3HD2 LEU 3 -8.790 5.385 3.822
22 H GLY 4 H GLY 4 -3.421 5.314 3.153
23 HA2 GLY 4 2HA GLY 4 -1.675 3.916 1.621
24 HA3 GLY 4 1HA GLY 4 -1.342 5.596 1.201
25 H ALA 5 H ALA 5 0.082 6.620 2.351
26 HA ALA 5 HA ALA 5 1.703 7.066 3.879
27 HB1 ALA 5 1HB ALA 5 -0.618 6.770 5.760
28 HB2 ALA 5 2HB ALA 5 -0.273 8.187 4.758
29 HB3 ALA 5 3HB ALA 5 0.854 7.703 6.026
30 H PHE 6 H PHE 6 1.780 4.272 3.318
31 HA PHE 6 HA PHE 6 2.757 2.392 4.018
32 HB2 PHE 6 2HB PHE 6 3.805 4.135 6.276
33 HB3 PHE 6 1HB PHE 6 4.393 2.526 5.884
34 HD1 PHE 6 1HD PHE 6 4.472 6.047 5.007
35 HD2 PHE 6 2HD PHE 6 5.652 2.148 3.818
36 HE1 PHE 6 1HE PHE 6 6.099 7.023 3.439
37 HE2 PHE 6 2HE PHE 6 7.285 3.114 2.243
38 HZ PHE 6 HZ PHE 6 7.506 5.560 2.055
39 H ARG 7 H ARG 7 0.058 3.014 4.873
40 HA ARG 7 HA ARG 7 -0.138 1.819 7.501
41 HB2 ARG 7 2HB ARG 7 -2.270 2.678 5.550
42 HB3 ARG 7 1HB ARG 7 -2.625 2.012 7.121
43 HG2 ARG 7 2HG ARG 7 -1.342 4.662 6.462
44 HG3 ARG 7 1HG ARG 7 -2.900 4.375 7.229
45 HD2 ARG 7 2HD ARG 7 -1.528 5.024 9.004
46 HD3 ARG 7 1HD ARG 7 -1.508 3.266 9.108
47 HE ARG 7 HE ARG 7 0.610 4.292 7.502
48 HH11 ARG 7 1HH1 ARG 7 -0.272 3.742 10.884
49 HH12 ARG 7 2HH1 ARG 7 1.342 3.690 11.426
50 HH21 ARG 7 1HH2 ARG 7 2.788 4.192 8.252
51 HH22 ARG 7 2HH2 ARG 7 3.108 3.914 9.904
52 H LYS 8 H LYS 8 -1.163 -0.139 7.907
53 HA LYS 8 HA LYS 8 -0.310 -2.255 6.303
54 HB2 LYS 8 2HB LYS 8 -2.413 -2.243 8.465
55 HB3 LYS 8 1HB LYS 8 -1.737 -3.695 7.743
56 HG2 LYS 8 2HG LYS 8 0.474 -3.070 8.552
57 HG3 LYS 8 1HG LYS 8 -0.200 -1.616 9.284
58 HD2 LYS 8 2HD LYS 8 -1.637 -3.007 10.702
59 HD3 LYS 8 1HD LYS 8 -0.946 -4.458 9.975
60 HE2 LYS 8 2HE LYS 8 0.572 -2.371 11.538
61 HE3 LYS 8 1HE LYS 8 0.078 -3.943 12.151
62 HZ1 LYS 8 1HZ LYS 8 1.490 -5.003 10.517
63 HZ2 LYS 8 2HZ LYS 8 2.409 -3.912 11.413
64 HZ3 LYS 8 3HZ LYS 8 1.919 -3.515 9.860
65 H CYS 9 H CYS 9 -1.190 -3.461 4.791
66 HA CYS 9 HA CYS 9 -3.870 -2.721 3.837
67 HB2 CYS 9 2HB CYS 9 -2.928 -3.132 1.568
68 HB3 CYS 9 1HB CYS 9 -2.224 -1.741 2.396
69 H ILE 10 H ILE 10 -4.929 -4.399 2.654
70 HA ILE 10 HA ILE 10 -4.052 -7.074 3.345
71 HB ILE 10 HB ILE 10 -6.697 -6.059 2.202
72 HG12 ILE 10 2HG1 ILE 10 -7.671 -7.109 4.315
73 HG13 ILE 10 1HG1 ILE 10 -6.026 -7.269 4.898
74 HG21 ILE 10 1HG2 ILE 10 -5.906 -8.905 2.776
75 HG22 ILE 10 2HG2 ILE 10 -6.226 -8.189 1.194
76 HG23 ILE 10 3HG2 ILE 10 -7.532 -8.362 2.367
77 HD11 ILE 10 1HD1 ILE 10 -7.447 -4.690 4.261
78 HD12 ILE 10 2HD1 ILE 10 -5.788 -4.830 4.840
79 HD13 ILE 10 3HD1 ILE 10 -7.129 -5.343 5.867
80 HA PRO 11 HA PRO 11 -2.224 -6.866 -0.687
81 HB2 PRO 11 2HB PRO 11 -1.287 -9.389 -0.830
82 HB3 PRO 11 1HB PRO 11 -0.535 -8.151 0.188
83 HG2 PRO 11 2HG PRO 11 -2.397 -10.362 0.937
84 HG3 PRO 11 1HG PRO 11 -0.973 -9.759 1.805
85 HD2 PRO 11 2HD PRO 11 -3.546 -9.107 2.452
86 HD3 PRO 11 1HD PRO 11 -2.169 -8.054 2.797
87 H ASP 12 H ASP 12 -4.826 -8.768 0.126
88 HA ASP 12 HA ASP 12 -5.176 -9.935 -2.521
89 HB2 ASP 12 2HB ASP 12 -6.862 -10.158 -0.023
90 HB3 ASP 12 1HB ASP 12 -7.215 -10.972 -1.540
91 H ASN 13 H ASN 13 -5.948 -7.089 -0.898
92 HA ASN 13 HA ASN 13 -7.461 -6.098 -3.047
93 HB2 ASN 13 2HB ASN 13 -9.285 -7.374 -1.911
94 HB3 ASN 13 1HB ASN 13 -8.974 -6.461 -0.439
95 HD21 ASN 13 1HD2 ASN 13 -10.229 -6.347 -3.647
96 HD22 ASN 13 2HD2 ASN 13 -11.080 -4.862 -3.510
97 H ASP 14 H ASP 14 -5.820 -4.623 -2.959
98 HA ASP 14 HA ASP 14 -5.569 -3.103 -0.519
99 HB2 ASP 14 2HB ASP 14 -3.619 -2.007 -1.584
100 HB3 ASP 14 1HB ASP 14 -3.471 -3.756 -1.467
101 H LYS 15 H LYS 15 -6.323 -1.243 -0.192
102 HA LYS 15 HA LYS 15 -7.332 0.254 -2.468
103 HB2 LYS 15 2HB LYS 15 -9.094 1.212 -0.918
104 HB3 LYS 15 1HB LYS 15 -9.305 -0.458 -1.413
105 HG2 LYS 15 2HG LYS 15 -8.675 -1.268 0.719
106 HG3 LYS 15 1HG LYS 15 -8.065 0.313 1.215
107 HD2 LYS 15 2HD LYS 15 -10.250 -0.219 2.213
108 HD3 LYS 15 1HD LYS 15 -10.306 1.223 1.201
109 HE2 LYS 15 2HE LYS 15 -11.231 -0.174 -0.630
110 HE3 LYS 15 1HE LYS 15 -11.262 -1.550 0.476
111 HZ1 LYS 15 1HZ LYS 15 -13.411 -0.466 0.342
112 HZ2 LYS 15 2HZ LYS 15 -12.737 1.000 0.798
113 HZ3 LYS 15 3HZ LYS 15 -12.776 -0.281 1.895
114 H CYS 16 H CYS 16 -5.591 1.438 -2.699
115 HA CYS 16 HA CYS 16 -5.262 3.619 -0.876
116 HB2 CYS 16 2HB CYS 16 -2.982 1.742 -1.695
117 HB3 CYS 16 1HB CYS 16 -2.744 3.336 -0.991
118 H CYS 17 H CYS 17 -3.931 5.321 -2.079
119 HA CYS 17 HA CYS 17 -4.823 5.496 -4.763
120 HB2 CYS 17 2HB CYS 17 -2.737 7.126 -3.306
121 HB3 CYS 17 1HB CYS 17 -3.215 7.455 -4.963
122 H ARG 18 H ARG 18 -4.178 3.644 -5.756
123 HA ARG 18 HA ARG 18 -1.338 3.255 -6.136
124 HB2 ARG 18 2HB ARG 18 -1.994 1.073 -7.185
125 HB3 ARG 18 1HB ARG 18 -2.560 1.263 -5.543
126 HG2 ARG 18 2HG ARG 18 -4.797 1.796 -6.426
127 HG3 ARG 18 1HG ARG 18 -4.186 1.502 -8.061
128 HD2 ARG 18 2HD ARG 18 -3.493 -0.760 -7.349
129 HD3 ARG 18 1HD ARG 18 -4.221 -0.459 -5.778
130 HE ARG 18 HE ARG 18 -5.976 -0.136 -8.026
131 HH11 ARG 18 1HH1 ARG 18 -4.851 -2.250 -5.402
132 HH12 ARG 18 2HH1 ARG 18 -5.979 -3.470 -5.678
133 HH21 ARG 18 1HH2 ARG 18 -7.605 -1.843 -8.418
134 HH22 ARG 18 2HH2 ARG 18 -7.596 -3.237 -7.440
135 HA PRO 19 HA PRO 19 -0.345 1.835 -7.777
136 HB2 PRO 19 2HB PRO 19 1.536 2.111 -9.675
137 HB3 PRO 19 1HB PRO 19 0.006 1.283 -9.962
138 HG2 PRO 19 2HG PRO 19 0.936 3.854 -11.003
139 HG3 PRO 19 1HG PRO 19 -0.426 2.862 -11.545
140 HD2 PRO 19 2HD PRO 19 -0.399 5.186 -9.776
141 HD3 PRO 19 1HD PRO 19 -1.793 4.390 -10.540
142 H ASN 20 H ASN 20 -0.075 5.015 -7.252
143 HA ASN 20 HA ASN 20 2.751 5.253 -6.800
144 HB2 ASN 20 2HB ASN 20 1.313 7.236 -7.184
145 HB3 ASN 20 1HB ASN 20 0.485 6.913 -5.665
146 HD21 ASN 20 1HD2 ASN 20 3.429 7.933 -7.136
147 HD22 ASN 20 2HD2 ASN 20 4.119 8.679 -5.737
148 H LEU 21 H LEU 21 -0.039 4.682 -4.776
149 HA LEU 21 HA LEU 21 1.693 3.706 -2.630
150 HB2 LEU 21 2HB LEU 21 -1.144 4.714 -2.712
151 HB3 LEU 21 1HB LEU 21 -0.516 3.781 -1.376
152 HG LEU 21 HG LEU 21 0.944 6.248 -2.194
153 HD11 LEU 21 1HD1 LEU 21 -0.458 7.415 -0.452
154 HD12 LEU 21 2HD1 LEU 21 -1.629 6.081 -0.622
155 HD13 LEU 21 3HD1 LEU 21 -1.232 7.101 -1.991
156 HD21 LEU 21 1HD2 LEU 21 1.938 4.699 -0.606
157 HD22 LEU 21 2HD2 LEU 21 0.495 4.783 0.401
158 HD23 LEU 21 3HD2 LEU 21 1.501 6.214 0.181
159 H VAL 22 H VAL 22 1.844 1.614 -2.566
160 HA VAL 22 HA VAL 22 -0.425 0.038 -3.468
161 HB VAL 22 HB VAL 22 1.174 0.307 -5.366
162 HG11 VAL 22 1HG1 VAL 22 3.111 -1.212 -3.648
163 HG12 VAL 22 2HG1 VAL 22 3.263 0.453 -4.205
164 HG13 VAL 22 3HG1 VAL 22 3.320 -0.872 -5.366
165 HG21 VAL 22 1HG2 VAL 22 1.319 -2.072 -5.990
166 HG22 VAL 22 2HG2 VAL 22 -0.263 -1.636 -5.343
167 HG23 VAL 22 3HG2 VAL 22 0.891 -2.514 -4.338
168 H CYS 23 H CYS 23 -0.421 -2.095 -2.658
169 HA CYS 23 HA CYS 23 0.529 -2.267 0.022
170 HB2 CYS 23 2HB CYS 23 -1.667 -3.115 -0.775
171 HB3 CYS 23 1HB CYS 23 -0.825 -4.353 -1.703
172 H SER 24 H SER 24 2.703 -2.591 0.236
173 HA SER 24 HA SER 24 4.236 -4.156 -1.537
174 HB2 SER 24 2HB SER 24 5.283 -2.441 -0.177
175 HB3 SER 24 1HB SER 24 4.749 -3.238 1.299
176 HG SER 24 HG SER 24 6.667 -4.168 -0.589
177 H ARG 25 H ARG 25 4.668 -6.303 -1.525
178 HA ARG 25 HA ARG 25 3.208 -7.984 0.311
179 HB2 ARG 25 2HB ARG 25 4.167 -9.877 -1.002
180 HB3 ARG 25 1HB ARG 25 3.233 -8.740 -1.958
181 HG2 ARG 25 2HG ARG 25 5.287 -7.762 -2.815
182 HG3 ARG 25 1HG ARG 25 6.240 -8.869 -1.820
183 HD2 ARG 25 2HD ARG 25 6.073 -9.661 -4.128
184 HD3 ARG 25 1HD ARG 25 5.281 -10.766 -3.009
185 HE ARG 25 HE ARG 25 3.781 -8.774 -4.563
186 HH11 ARG 25 1HH1 ARG 25 4.248 -12.173 -3.536
187 HH12 ARG 25 2HH1 ARG 25 2.867 -12.734 -4.351
188 HH21 ARG 25 1HH2 ARG 25 1.853 -9.619 -5.661
189 HH22 ARG 25 2HH2 ARG 25 1.459 -11.260 -5.551
190 H LEU 26 H LEU 26 6.154 -6.542 0.241
191 HA LEU 26 HA LEU 26 7.432 -8.474 2.031
192 HB2 LEU 26 2HB LEU 26 8.434 -5.877 0.875
193 HB3 LEU 26 1HB LEU 26 9.358 -6.891 1.958
194 HG LEU 26 HG LEU 26 8.447 -7.640 -0.820
195 HD11 LEU 26 1HD1 LEU 26 10.841 -7.550 -1.332
196 HD12 LEU 26 2HD1 LEU 26 11.165 -6.975 0.305
197 HD13 LEU 26 3HD1 LEU 26 10.224 -5.986 -0.810
198 HD21 LEU 26 1HD2 LEU 26 8.515 -9.559 0.682
199 HD22 LEU 26 2HD2 LEU 26 10.157 -9.137 1.163
200 HD23 LEU 26 3HD2 LEU 26 9.822 -9.633 -0.496
201 H HIS 27 H HIS 27 6.503 -5.062 1.982
202 HA HIS 27 HA HIS 27 7.053 -4.896 4.813
203 HB2 HIS 27 2HB HIS 27 6.146 -2.781 2.862
204 HB3 HIS 27 1HB HIS 27 6.535 -2.486 4.549
205 HD1 HIS 27 1HD HIS 27 9.046 -2.231 5.137
206 HD2 HIS 27 2HD HIS 27 8.341 -3.426 1.221
207 HE1 HIS 27 1HE HIS 27 11.256 -2.034 3.943
208 H ARG 28 H ARG 28 4.378 -5.474 2.835
209 HA ARG 28 HA ARG 28 2.250 -5.945 3.195
210 HB2 ARG 28 2HB ARG 28 2.996 -6.012 6.116
211 HB3 ARG 28 1HB ARG 28 1.495 -6.635 5.446
212 HG2 ARG 28 2HG ARG 28 2.894 -8.171 4.036
213 HG3 ARG 28 1HG ARG 28 4.285 -7.655 4.992
214 HD2 ARG 28 2HD ARG 28 3.427 -9.693 5.921
215 HD3 ARG 28 1HD ARG 28 3.061 -8.373 7.034
216 HE ARG 28 HE ARG 28 0.976 -8.831 5.172
217 HH11 ARG 28 1HH1 ARG 28 2.270 -9.898 8.285
218 HH12 ARG 28 2HH1 ARG 28 0.856 -10.670 8.784
219 HH21 ARG 28 1HH2 ARG 28 -1.004 -9.942 5.865
220 HH22 ARG 28 2HH2 ARG 28 -1.052 -10.703 7.380
221 H TRP 29 H TRP 29 3.213 -3.151 3.324
222 HA TRP 29 HA TRP 29 0.677 -2.079 4.201
223 HB2 TRP 29 2HB TRP 29 1.791 -0.040 5.097
224 HB3 TRP 29 1HB TRP 29 2.124 -1.488 6.022
225 HD1 TRP 29 HD TRP 29 4.028 0.120 2.999
226 HE1 TRP 29 1HE TRP 29 6.510 0.368 3.690
227 HE3 TRP 29 3HE TRP 29 3.728 -1.670 7.771
228 HZ2 TRP 29 2HZ TRP 29 8.099 -0.105 5.973
229 HZ3 TRP 29 3HZ TRP 29 5.770 -1.733 9.145
230 HH2 TRP 29 HH TRP 29 7.906 -0.963 8.256
231 H CYS 30 H CYS 30 0.178 0.006 3.242
232 HA CYS 30 HA CYS 30 0.839 0.030 0.457
233 HB2 CYS 30 2HB CYS 30 -0.779 1.828 2.213
234 HB3 CYS 30 1HB CYS 30 -0.491 2.246 0.539
235 H LYS 31 H LYS 31 2.811 0.523 0.016
236 HA LYS 31 HA LYS 31 4.168 2.643 1.486
237 HB2 LYS 31 2HB LYS 31 6.210 1.748 0.561
238 HB3 LYS 31 1HB LYS 31 5.260 0.435 1.209
239 HG2 LYS 31 2HG LYS 31 4.672 -0.348 -0.937
240 HG3 LYS 31 1HG LYS 31 5.238 1.135 -1.709
241 HD2 LYS 31 2HD LYS 31 7.527 0.610 -0.924
242 HD3 LYS 31 1HD LYS 31 6.927 -0.927 -0.307
243 HE2 LYS 31 2HE LYS 31 6.370 -1.674 -2.502
244 HE3 LYS 31 1HE LYS 31 6.684 -0.081 -3.190
245 HZ1 LYS 31 1HZ LYS 31 8.997 -0.325 -2.611
246 HZ2 LYS 31 2HZ LYS 31 8.530 -1.592 -3.606
247 HZ3 LYS 31 3HZ LYS 31 8.738 -1.847 -1.948
248 H TYR 32 H TYR 32 5.261 4.332 0.336
249 HA TYR 32 HA TYR 32 3.991 5.095 -2.145
250 HB2 TYR 32 2HB TYR 32 6.122 6.414 -0.449
251 HB3 TYR 32 1HB TYR 32 5.599 7.065 -1.990
252 HD1 TYR 32 1HD TYR 32 4.834 6.710 1.541
253 HD2 TYR 32 2HD TYR 32 3.306 7.971 -2.220
254 HE1 TYR 32 1HE TYR 32 3.070 7.962 2.686
255 HE2 TYR 32 2HE TYR 32 1.537 9.220 -1.092
256 HH TYR 32 HH TYR 32 1.563 9.855 2.234
257 H VAL 33 H VAL 33 4.714 4.196 -3.932
258 HA VAL 33 HA VAL 33 7.562 3.691 -4.065
259 HB VAL 33 HB VAL 33 6.294 1.654 -4.478
260 HG11 VAL 33 1HG1 VAL 33 4.916 3.090 -6.714
261 HG12 VAL 33 2HG1 VAL 33 4.196 2.586 -5.186
262 HG13 VAL 33 3HG1 VAL 33 4.762 1.371 -6.338
263 HG21 VAL 33 1HG2 VAL 33 7.466 2.703 -7.037
264 HG22 VAL 33 2HG2 VAL 33 7.129 1.007 -6.689
265 HG23 VAL 33 3HG2 VAL 33 8.333 1.881 -5.740
266 H PHE 34 H PHE 34 8.415 5.471 -4.610
267 HA PHE 34 HA PHE 34 7.694 6.786 -7.083
268 HB2 PHE 34 2HB PHE 34 6.210 7.733 -5.309
269 HB3 PHE 34 1HB PHE 34 7.631 8.174 -4.387
270 HD1 PHE 34 1HD PHE 34 8.402 10.334 -4.559
271 HD2 PHE 34 2HD PHE 34 6.096 8.716 -7.739
272 HE1 PHE 34 1HE PHE 34 8.366 12.533 -5.646
273 HE2 PHE 34 2HE PHE 34 6.061 10.912 -8.837
274 HZ PHE 34 HZ PHE 34 7.195 12.830 -7.788
Start of MODEL 5
1 H1 ASP 1 1HT ASP 1 -9.486 11.321 -0.287
2 H2 ASP 1 2HT ASP 1 -10.613 11.535 0.967
3 H3 ASP 1 3HT ASP 1 -10.501 10.059 0.140
4 HA ASP 1 HA ASP 1 -8.317 11.212 1.709
5 HB2 ASP 1 2HB ASP 1 -10.166 10.592 3.177
6 HB3 ASP 1 1HB ASP 1 -10.244 8.998 2.432
7 H CYS 2 H CYS 2 -6.548 10.605 0.806
8 HA CYS 2 HA CYS 2 -6.495 8.240 -0.849
9 HB2 CYS 2 2HB CYS 2 -5.549 10.353 -1.677
10 HB3 CYS 2 1HB CYS 2 -4.426 10.372 -0.325
11 H LEU 3 H LEU 3 -5.952 6.361 0.044
12 HA LEU 3 HA LEU 3 -4.671 6.297 2.610
13 HB2 LEU 3 2HB LEU 3 -5.555 4.057 0.833
14 HB3 LEU 3 1HB LEU 3 -4.925 3.855 2.448
15 HG LEU 3 HG LEU 3 -7.457 5.325 1.762
16 HD11 LEU 3 1HD1 LEU 3 -7.669 2.904 1.435
17 HD12 LEU 3 2HD1 LEU 3 -8.604 3.442 2.829
18 HD13 LEU 3 3HD1 LEU 3 -7.060 2.629 3.068
19 HD21 LEU 3 1HD2 LEU 3 -7.820 5.280 4.227
20 HD22 LEU 3 2HD2 LEU 3 -6.451 6.265 3.735
21 HD23 LEU 3 3HD2 LEU 3 -6.181 4.659 4.415
22 H GLY 4 H GLY 4 -2.748 5.930 3.046
23 HA2 GLY 4 2HA GLY 4 -0.824 4.553 1.465
24 HA3 GLY 4 1HA GLY 4 -0.618 6.305 1.379
25 H ALA 5 H ALA 5 0.881 6.948 2.662
26 HA ALA 5 HA ALA 5 2.220 7.262 4.465
27 HB1 ALA 5 1HB ALA 5 1.048 7.861 6.479
28 HB2 ALA 5 2HB ALA 5 -0.388 6.988 5.942
29 HB3 ALA 5 3HB ALA 5 0.148 8.426 5.070
30 H PHE 6 H PHE 6 2.062 4.427 3.770
31 HA PHE 6 HA PHE 6 2.892 2.453 4.483
32 HB2 PHE 6 2HB PHE 6 3.650 3.959 7.000
33 HB3 PHE 6 1HB PHE 6 4.181 2.333 6.607
34 HD1 PHE 6 1HD PHE 6 4.597 5.897 5.905
35 HD2 PHE 6 2HD PHE 6 5.869 1.969 4.908
36 HE1 PHE 6 1HE PHE 6 6.569 6.825 4.779
37 HE2 PHE 6 2HE PHE 6 7.843 2.892 3.781
38 HZ PHE 6 HZ PHE 6 8.201 5.315 3.713
39 H ARG 7 H ARG 7 0.104 3.335 5.130
40 HA ARG 7 HA ARG 7 -0.694 2.132 7.579
41 HB2 ARG 7 2HB ARG 7 -2.205 2.776 5.045
42 HB3 ARG 7 1HB ARG 7 -2.968 2.067 6.460
43 HG2 ARG 7 2HG ARG 7 -1.465 4.664 6.582
44 HG3 ARG 7 1HG ARG 7 -3.178 4.570 6.166
45 HD2 ARG 7 2HD ARG 7 -1.978 3.465 8.706
46 HD3 ARG 7 1HD ARG 7 -2.757 5.041 8.564
47 HE ARG 7 HE ARG 7 -4.484 3.095 7.564
48 HH11 ARG 7 1HH1 ARG 7 -3.147 4.064 10.712
49 HH12 ARG 7 2HH1 ARG 7 -4.530 3.578 11.581
50 HH21 ARG 7 1HH2 ARG 7 -6.372 2.457 8.796
51 HH22 ARG 7 2HH2 ARG 7 -6.385 2.679 10.491
52 H LYS 8 H LYS 8 -1.211 0.078 8.049
53 HA LYS 8 HA LYS 8 -0.347 -1.975 6.300
54 HB2 LYS 8 2HB LYS 8 -2.008 -2.213 8.819
55 HB3 LYS 8 1HB LYS 8 -1.174 -3.536 8.012
56 HG2 LYS 8 2HG LYS 8 0.970 -2.377 8.415
57 HG3 LYS 8 1HG LYS 8 0.098 -1.144 9.318
58 HD2 LYS 8 2HD LYS 8 -0.708 -2.930 10.854
59 HD3 LYS 8 1HD LYS 8 0.313 -4.075 9.986
60 HE2 LYS 8 2HE LYS 8 1.243 -1.620 11.475
61 HE3 LYS 8 1HE LYS 8 1.438 -3.288 11.998
62 HZ1 LYS 8 1HZ LYS 8 2.684 -2.051 9.602
63 HZ2 LYS 8 2HZ LYS 8 2.831 -3.665 10.028
64 HZ3 LYS 8 3HZ LYS 8 3.479 -2.478 11.027
65 H CYS 9 H CYS 9 -1.462 -3.338 5.035
66 HA CYS 9 HA CYS 9 -4.326 -2.855 4.641
67 HB2 CYS 9 2HB CYS 9 -3.736 -2.764 2.159
68 HB3 CYS 9 1HB CYS 9 -3.331 -1.342 3.126
69 H ILE 10 H ILE 10 -5.094 -4.410 2.862
70 HA ILE 10 HA ILE 10 -4.123 -7.092 3.432
71 HB ILE 10 HB ILE 10 -6.462 -6.165 1.710
72 HG12 ILE 10 2HG1 ILE 10 -6.494 -7.249 4.540
73 HG13 ILE 10 1HG1 ILE 10 -6.739 -5.567 4.089
74 HG21 ILE 10 1HG2 ILE 10 -7.237 -8.509 1.899
75 HG22 ILE 10 2HG2 ILE 10 -5.743 -8.908 2.750
76 HG23 ILE 10 3HG2 ILE 10 -5.685 -8.372 1.072
77 HD11 ILE 10 1HD1 ILE 10 -8.776 -6.187 2.888
78 HD12 ILE 10 2HD1 ILE 10 -8.850 -6.677 4.580
79 HD13 ILE 10 3HD1 ILE 10 -8.522 -7.876 3.329
80 HA PRO 11 HA PRO 11 -1.467 -6.567 -0.088
81 HB2 PRO 11 2HB PRO 11 -0.757 -9.182 -0.467
82 HB3 PRO 11 1HB PRO 11 -0.067 -8.135 0.777
83 HG2 PRO 11 2HG PRO 11 -2.206 -10.200 1.016
84 HG3 PRO 11 1HG PRO 11 -0.873 -9.837 2.121
85 HD2 PRO 11 2HD PRO 11 -3.396 -8.997 2.582
86 HD3 PRO 11 1HD PRO 11 -1.981 -8.052 3.082
87 H ASP 12 H ASP 12 -3.943 -9.111 -0.289
88 HA ASP 12 HA ASP 12 -3.747 -8.995 -3.199
89 HB2 ASP 12 2HB ASP 12 -5.528 -10.742 -1.489
90 HB3 ASP 12 1HB ASP 12 -5.335 -10.864 -3.231
91 H ASN 13 H ASN 13 -5.424 -7.492 -0.780
92 HA ASN 13 HA ASN 13 -7.494 -6.559 -2.647
93 HB2 ASN 13 2HB ASN 13 -7.942 -7.015 0.337
94 HB3 ASN 13 1HB ASN 13 -9.119 -6.393 -0.802
95 HD21 ASN 13 1HD2 ASN 13 -9.267 -8.691 0.976
96 HD22 ASN 13 2HD2 ASN 13 -9.569 -10.055 -0.023
97 H ASP 14 H ASP 14 -5.696 -5.058 -2.914
98 HA ASP 14 HA ASP 14 -4.874 -3.494 -0.675
99 HB2 ASP 14 2HB ASP 14 -3.462 -2.263 -2.268
100 HB3 ASP 14 1HB ASP 14 -3.257 -4.008 -2.361
101 H LYS 15 H LYS 15 -5.636 -1.716 0.060
102 HA LYS 15 HA LYS 15 -7.110 -0.000 -1.775
103 HB2 LYS 15 2HB LYS 15 -7.546 -0.254 1.215
104 HB3 LYS 15 1HB LYS 15 -8.386 0.857 0.143
105 HG2 LYS 15 2HG LYS 15 -9.335 -1.077 -1.069
106 HG3 LYS 15 1HG LYS 15 -8.547 -2.152 0.081
107 HD2 LYS 15 2HD LYS 15 -10.839 -1.882 0.732
108 HD3 LYS 15 1HD LYS 15 -9.828 -1.039 1.904
109 HE2 LYS 15 2HE LYS 15 -10.307 1.091 0.803
110 HE3 LYS 15 1HE LYS 15 -11.288 0.256 -0.404
111 HZ1 LYS 15 1HZ LYS 15 -12.781 -0.425 1.375
112 HZ2 LYS 15 2HZ LYS 15 -12.635 1.256 1.301
113 HZ3 LYS 15 3HZ LYS 15 -11.821 0.383 2.503
114 H CYS 16 H CYS 16 -5.245 1.026 -2.383
115 HA CYS 16 HA CYS 16 -4.298 3.088 -0.598
116 HB2 CYS 16 2HB CYS 16 -2.322 1.451 -2.231
117 HB3 CYS 16 1HB CYS 16 -1.971 2.590 -0.949
118 H CYS 17 H CYS 17 -3.469 4.838 -2.055
119 HA CYS 17 HA CYS 17 -4.865 4.852 -4.553
120 HB2 CYS 17 2HB CYS 17 -2.748 6.813 -3.691
121 HB3 CYS 17 1HB CYS 17 -3.984 7.054 -4.912
122 H ARG 18 H ARG 18 -3.986 3.058 -5.613
123 HA ARG 18 HA ARG 18 -1.241 3.014 -6.396
124 HB2 ARG 18 2HB ARG 18 -1.864 1.029 -7.743
125 HB3 ARG 18 1HB ARG 18 -2.440 0.912 -6.092
126 HG2 ARG 18 2HG ARG 18 -4.684 1.637 -6.902
127 HG3 ARG 18 1HG ARG 18 -4.053 1.546 -8.549
128 HD2 ARG 18 2HD ARG 18 -4.158 -0.719 -6.564
129 HD3 ARG 18 1HD ARG 18 -5.255 -0.498 -7.923
130 HE ARG 18 HE ARG 18 -3.039 -0.623 -9.254
131 HH11 ARG 18 1HH1 ARG 18 -3.708 -2.507 -6.288
132 HH12 ARG 18 2HH1 ARG 18 -2.902 -3.878 -6.850
133 HH21 ARG 18 1HH2 ARG 18 -1.859 -2.530 -9.941
134 HH22 ARG 18 2HH2 ARG 18 -1.794 -3.905 -8.917
135 HA PRO 19 HA PRO 19 -0.109 2.190 -8.039
136 HB2 PRO 19 2HB PRO 19 1.615 2.728 -9.980
137 HB3 PRO 19 1HB PRO 19 0.103 1.877 -10.324
138 HG2 PRO 19 2HG PRO 19 0.875 4.669 -10.951
139 HG3 PRO 19 1HG PRO 19 -0.264 3.603 -11.787
140 HD2 PRO 19 2HD PRO 19 -0.831 5.641 -9.846
141 HD3 PRO 19 1HD PRO 19 -1.982 4.576 -10.671
142 H ASN 20 H ASN 20 -0.367 5.192 -7.176
143 HA ASN 20 HA ASN 20 2.399 6.020 -6.999
144 HB2 ASN 20 2HB ASN 20 -0.046 7.170 -5.623
145 HB3 ASN 20 1HB ASN 20 1.538 7.932 -5.731
146 HD21 ASN 20 1HD2 ASN 20 2.193 8.801 -7.707
147 HD22 ASN 20 2HD2 ASN 20 1.071 9.120 -8.972
148 H LEU 21 H LEU 21 -0.068 4.678 -4.977
149 HA LEU 21 HA LEU 21 1.898 3.976 -2.913
150 HB2 LEU 21 2HB LEU 21 -1.035 4.630 -2.463
151 HB3 LEU 21 1HB LEU 21 0.230 4.323 -1.280
152 HG LEU 21 HG LEU 21 0.432 6.703 -3.079
153 HD11 LEU 21 1HD1 LEU 21 -1.677 6.964 -1.976
154 HD12 LEU 21 2HD1 LEU 21 -0.498 7.997 -1.159
155 HD13 LEU 21 3HD1 LEU 21 -0.988 6.455 -0.450
156 HD21 LEU 21 1HD2 LEU 21 2.420 5.969 -1.912
157 HD22 LEU 21 2HD2 LEU 21 1.547 5.999 -0.379
158 HD23 LEU 21 3HD2 LEU 21 1.836 7.497 -1.261
159 H VAL 22 H VAL 22 1.986 1.820 -2.857
160 HA VAL 22 HA VAL 22 -0.418 0.333 -3.660
161 HB VAL 22 HB VAL 22 0.916 -1.423 -4.726
162 HG11 VAL 22 1HG1 VAL 22 1.635 -0.217 -6.742
163 HG12 VAL 22 2HG1 VAL 22 1.473 1.304 -5.866
164 HG13 VAL 22 3HG1 VAL 22 0.054 0.303 -6.161
165 HG21 VAL 22 1HG2 VAL 22 2.999 -1.200 -3.484
166 HG22 VAL 22 2HG2 VAL 22 3.301 0.366 -4.235
167 HG23 VAL 22 3HG2 VAL 22 3.312 -1.098 -5.219
168 H CYS 23 H CYS 23 -0.727 -1.713 -2.678
169 HA CYS 23 HA CYS 23 0.394 -1.758 -0.045
170 HB2 CYS 23 2HB CYS 23 -2.035 -2.148 -0.469
171 HB3 CYS 23 1HB CYS 23 -1.589 -3.589 -1.378
172 H SER 24 H SER 24 2.356 -2.507 -0.026
173 HA SER 24 HA SER 24 3.395 -4.438 -1.816
174 HB2 SER 24 2HB SER 24 4.783 -2.774 -0.734
175 HB3 SER 24 1HB SER 24 4.344 -3.404 0.850
176 HG SER 24 HG SER 24 5.876 -4.668 -1.179
177 H ARG 25 H ARG 25 3.328 -6.613 -1.612
178 HA ARG 25 HA ARG 25 1.879 -7.704 0.613
179 HB2 ARG 25 2HB ARG 25 2.125 -9.871 -0.457
180 HB3 ARG 25 1HB ARG 25 1.548 -8.704 -1.627
181 HG2 ARG 25 2HG ARG 25 3.792 -8.551 -2.569
182 HG3 ARG 25 1HG ARG 25 4.374 -9.710 -1.372
183 HD2 ARG 25 2HD ARG 25 2.666 -11.320 -2.260
184 HD3 ARG 25 1HD ARG 25 2.354 -10.167 -3.555
185 HE ARG 25 HE ARG 25 5.090 -11.011 -3.170
186 HH11 ARG 25 1HH1 ARG 25 2.112 -11.342 -5.098
187 HH12 ARG 25 2HH1 ARG 25 2.864 -12.211 -6.352
188 HH21 ARG 25 1HH2 ARG 25 6.106 -12.247 -4.924
189 HH22 ARG 25 2HH2 ARG 25 5.177 -12.757 -6.239
190 H LEU 26 H LEU 26 5.068 -7.089 -0.261
191 HA LEU 26 HA LEU 26 6.335 -8.948 1.521
192 HB2 LEU 26 2HB LEU 26 7.469 -8.147 -0.463
193 HB3 LEU 26 1HB LEU 26 7.328 -6.491 0.085
194 HG LEU 26 HG LEU 26 8.792 -7.116 2.028
195 HD11 LEU 26 1HD1 LEU 26 10.186 -9.114 1.809
196 HD12 LEU 26 2HD1 LEU 26 9.222 -9.628 0.425
197 HD13 LEU 26 3HD1 LEU 26 8.482 -9.508 2.020
198 HD21 LEU 26 1HD2 LEU 26 10.844 -6.993 0.730
199 HD22 LEU 26 2HD2 LEU 26 9.623 -5.893 0.095
200 HD23 LEU 26 3HD2 LEU 26 9.960 -7.411 -0.736
201 H HIS 27 H HIS 27 5.992 -5.412 1.453
202 HA HIS 27 HA HIS 27 6.948 -5.162 4.145
203 HB2 HIS 27 2HB HIS 27 5.645 -3.115 2.337
204 HB3 HIS 27 1HB HIS 27 6.342 -2.764 3.902
205 HD1 HIS 27 1HD HIS 27 8.906 -2.451 4.001
206 HD2 HIS 27 2HD HIS 27 7.508 -3.703 0.294
207 HE1 HIS 27 1HE HIS 27 10.783 -2.054 2.411
208 H ARG 28 H ARG 28 3.901 -5.585 2.660
209 HA ARG 28 HA ARG 28 1.879 -5.950 3.368
210 HB2 ARG 28 2HB ARG 28 3.200 -6.113 6.059
211 HB3 ARG 28 1HB ARG 28 1.463 -6.278 5.898
212 HG2 ARG 28 2HG ARG 28 3.562 -8.057 4.659
213 HG3 ARG 28 1HG ARG 28 2.539 -8.457 6.034
214 HD2 ARG 28 2HD ARG 28 0.624 -7.849 4.303
215 HD3 ARG 28 1HD ARG 28 1.868 -8.300 3.136
216 HE ARG 28 HE ARG 28 0.968 -10.055 5.313
217 HH11 ARG 28 1HH1 ARG 28 2.189 -9.854 2.039
218 HH12 ARG 28 2HH1 ARG 28 1.481 -11.313 1.505
219 HH21 ARG 28 1HH2 ARG 28 0.076 -12.057 4.667
220 HH22 ARG 28 2HH2 ARG 28 0.244 -12.643 3.070
221 H TRP 29 H TRP 29 2.951 -3.212 3.133
222 HA TRP 29 HA TRP 29 0.674 -1.874 4.323
223 HB2 TRP 29 2HB TRP 29 2.007 0.032 5.139
224 HB3 TRP 29 1HB TRP 29 2.409 -1.452 5.975
225 HD1 TRP 29 HD TRP 29 3.910 0.401 2.861
226 HE1 TRP 29 1HE TRP 29 6.488 0.439 3.143
227 HE3 TRP 29 3HE TRP 29 4.304 -2.069 7.314
228 HZ2 TRP 29 2HZ TRP 29 8.391 -0.423 4.999
229 HZ3 TRP 29 3HZ TRP 29 6.551 -2.407 8.269
230 HH2 TRP 29 HH TRP 29 8.540 -1.596 7.131
231 H CYS 30 H CYS 30 0.315 0.286 3.447
232 HA CYS 30 HA CYS 30 0.635 0.390 0.606
233 HB2 CYS 30 2HB CYS 30 -0.285 2.524 2.545
234 HB3 CYS 30 1HB CYS 30 -0.423 2.641 0.805
235 H LYS 31 H LYS 31 2.650 0.628 -0.069
236 HA LYS 31 HA LYS 31 4.395 2.546 1.280
237 HB2 LYS 31 2HB LYS 31 6.244 1.417 0.160
238 HB3 LYS 31 1HB LYS 31 5.275 0.273 1.069
239 HG2 LYS 31 2HG LYS 31 4.216 -0.469 -0.986
240 HG3 LYS 31 1HG LYS 31 5.143 0.718 -1.900
241 HD2 LYS 31 2HD LYS 31 6.331 -1.533 -0.274
242 HD3 LYS 31 1HD LYS 31 6.092 -1.551 -2.024
243 HE2 LYS 31 2HE LYS 31 7.617 0.360 -2.221
244 HE3 LYS 31 1HE LYS 31 7.865 0.341 -0.475
245 HZ1 LYS 31 1HZ LYS 31 8.508 -1.893 -2.312
246 HZ2 LYS 31 2HZ LYS 31 8.845 -1.862 -0.655
247 HZ3 LYS 31 3HZ LYS 31 9.629 -0.816 -1.701
248 H TYR 32 H TYR 32 5.886 3.722 -0.130
249 HA TYR 32 HA TYR 32 4.398 5.076 -2.229
250 HB2 TYR 32 2HB TYR 32 7.004 5.726 -0.827
251 HB3 TYR 32 1HB TYR 32 6.236 6.736 -2.043
252 HD1 TYR 32 1HD TYR 32 4.599 8.262 -1.448
253 HD2 TYR 32 2HD TYR 32 5.759 5.307 1.355
254 HE1 TYR 32 1HE TYR 32 3.282 9.400 0.284
255 HE2 TYR 32 2HE TYR 32 4.455 6.418 3.099
256 HH TYR 32 HH TYR 32 2.215 8.869 2.412
257 H VAL 33 H VAL 33 4.806 4.585 -4.275
258 HA VAL 33 HA VAL 33 7.409 3.405 -4.818
259 HB VAL 33 HB VAL 33 6.315 2.048 -6.708
260 HG11 VAL 33 1HG1 VAL 33 5.689 1.398 -3.829
261 HG12 VAL 33 2HG1 VAL 33 7.192 1.025 -4.680
262 HG13 VAL 33 3HG1 VAL 33 5.688 0.239 -5.157
263 HG21 VAL 33 1HG2 VAL 33 3.873 2.632 -5.041
264 HG22 VAL 33 2HG2 VAL 33 3.964 1.470 -6.372
265 HG23 VAL 33 3HG2 VAL 33 4.163 3.199 -6.681
266 H PHE 34 H PHE 34 8.466 4.903 -5.621
267 HA PHE 34 HA PHE 34 7.463 6.474 -7.857
268 HB2 PHE 34 2HB PHE 34 10.011 6.683 -6.230
269 HB3 PHE 34 1HB PHE 34 9.612 7.725 -7.587
270 HD1 PHE 34 1HD PHE 34 7.988 9.474 -7.369
271 HD2 PHE 34 2HD PHE 34 8.831 6.883 -4.104
272 HE1 PHE 34 1HE PHE 34 6.837 11.020 -5.847
273 HE2 PHE 34 2HE PHE 34 7.680 8.418 -2.582
274 HZ PHE 34 HZ PHE 34 6.681 10.495 -3.449
Start of MODEL 6
1 H1 ASP 1 1HT ASP 1 -10.289 10.048 0.299
2 H2 ASP 1 2HT ASP 1 -9.581 10.839 -1.015
3 H3 ASP 1 3HT ASP 1 -10.283 11.742 0.228
4 HA ASP 1 HA ASP 1 -7.901 11.778 0.303
5 HB2 ASP 1 2HB ASP 1 -9.264 10.320 2.587
6 HB3 ASP 1 1HB ASP 1 -7.673 11.060 2.697
7 H CYS 2 H CYS 2 -6.258 10.746 -0.473
8 HA CYS 2 HA CYS 2 -6.322 8.010 -1.100
9 HB2 CYS 2 2HB CYS 2 -4.233 10.130 -1.273
10 HB3 CYS 2 1HB CYS 2 -3.840 8.459 -1.632
11 H LEU 3 H LEU 3 -5.889 6.329 0.085
12 HA LEU 3 HA LEU 3 -4.584 6.569 2.632
13 HB2 LEU 3 2HB LEU 3 -5.350 4.098 1.094
14 HB3 LEU 3 1HB LEU 3 -4.904 4.166 2.781
15 HG LEU 3 HG LEU 3 -7.385 5.364 1.571
16 HD11 LEU 3 1HD1 LEU 3 -7.457 2.944 1.673
17 HD12 LEU 3 2HD1 LEU 3 -8.555 3.653 2.857
18 HD13 LEU 3 3HD1 LEU 3 -7.003 2.992 3.376
19 HD21 LEU 3 1HD2 LEU 3 -6.608 6.705 3.444
20 HD22 LEU 3 2HD2 LEU 3 -6.463 5.259 4.442
21 HD23 LEU 3 3HD2 LEU 3 -8.052 5.799 3.900
22 H GLY 4 H GLY 4 -2.544 6.161 3.057
23 HA2 GLY 4 2HA GLY 4 -0.821 4.582 1.472
24 HA3 GLY 4 1HA GLY 4 -0.565 6.304 1.186
25 H ALA 5 H ALA 5 1.189 6.892 2.231
26 HA ALA 5 HA ALA 5 2.683 7.293 3.846
27 HB1 ALA 5 1HB ALA 5 1.817 8.064 5.940
28 HB2 ALA 5 2HB ALA 5 0.271 7.264 5.641
29 HB3 ALA 5 3HB ALA 5 0.779 8.620 4.626
30 H PHE 6 H PHE 6 2.239 4.447 3.353
31 HA PHE 6 HA PHE 6 2.996 2.475 4.053
32 HB2 PHE 6 2HB PHE 6 4.302 4.038 6.298
33 HB3 PHE 6 1HB PHE 6 4.656 2.365 5.890
34 HD1 PHE 6 1HD PHE 6 5.820 1.837 3.796
35 HD2 PHE 6 2HD PHE 6 5.195 5.850 5.046
36 HE1 PHE 6 1HE PHE 6 7.555 2.598 2.218
37 HE2 PHE 6 2HE PHE 6 6.926 6.621 3.477
38 HZ PHE 6 HZ PHE 6 8.108 4.990 2.061
39 H ARG 7 H ARG 7 0.408 3.491 4.974
40 HA ARG 7 HA ARG 7 0.072 2.277 7.599
41 HB2 ARG 7 2HB ARG 7 -2.041 3.299 5.658
42 HB3 ARG 7 1HB ARG 7 -2.323 2.844 7.330
43 HG2 ARG 7 2HG ARG 7 -0.553 5.124 6.457
44 HG3 ARG 7 1HG ARG 7 -2.234 5.300 6.938
45 HD2 ARG 7 2HD ARG 7 -0.089 4.143 8.716
46 HD3 ARG 7 1HD ARG 7 -0.530 5.846 8.703
47 HE ARG 7 HE ARG 7 -2.756 4.073 9.135
48 HH11 ARG 7 1HH1 ARG 7 -0.107 5.749 10.775
49 HH12 ARG 7 2HH1 ARG 7 -0.918 5.940 12.256
50 HH21 ARG 7 1HH2 ARG 7 -3.887 4.301 11.162
51 HH22 ARG 7 2HH2 ARG 7 -3.156 5.083 12.488
52 H LYS 8 H LYS 8 -1.398 0.449 7.870
53 HA LYS 8 HA LYS 8 -0.550 -1.729 6.382
54 HB2 LYS 8 2HB LYS 8 -2.265 -3.027 7.564
55 HB3 LYS 8 1HB LYS 8 -1.303 -2.011 8.628
56 HG2 LYS 8 2HG LYS 8 -3.155 -0.421 8.763
57 HG3 LYS 8 1HG LYS 8 -4.091 -1.429 7.654
58 HD2 LYS 8 2HD LYS 8 -3.984 -3.280 9.242
59 HD3 LYS 8 1HD LYS 8 -3.050 -2.276 10.348
60 HE2 LYS 8 2HE LYS 8 -4.919 -0.750 10.585
61 HE3 LYS 8 1HE LYS 8 -5.850 -1.677 9.408
62 HZ1 LYS 8 1HZ LYS 8 -6.454 -2.215 11.705
63 HZ2 LYS 8 2HZ LYS 8 -4.885 -2.728 12.007
64 HZ3 LYS 8 3HZ LYS 8 -5.835 -3.543 10.886
65 H CYS 9 H CYS 9 -1.512 -3.199 4.956
66 HA CYS 9 HA CYS 9 -4.105 -2.643 3.857
67 HB2 CYS 9 2HB CYS 9 -3.255 -2.779 1.506
68 HB3 CYS 9 1HB CYS 9 -2.726 -1.326 2.347
69 H ILE 10 H ILE 10 -4.783 -4.458 2.425
70 HA ILE 10 HA ILE 10 -3.610 -6.971 3.293
71 HB ILE 10 HB ILE 10 -6.192 -6.335 1.815
72 HG12 ILE 10 2HG1 ILE 10 -5.677 -7.403 4.603
73 HG13 ILE 10 1HG1 ILE 10 -6.183 -5.769 4.201
74 HG21 ILE 10 1HG2 ILE 10 -5.157 -9.048 2.646
75 HG22 ILE 10 2HG2 ILE 10 -5.351 -8.468 0.995
76 HG23 ILE 10 3HG2 ILE 10 -6.769 -8.721 2.012
77 HD11 ILE 10 1HD1 ILE 10 -8.038 -7.079 5.032
78 HD12 ILE 10 2HD1 ILE 10 -7.770 -8.285 3.774
79 HD13 ILE 10 3HD1 ILE 10 -8.296 -6.660 3.336
80 HA PRO 11 HA PRO 11 -0.980 -6.677 -0.204
81 HB2 PRO 11 2HB PRO 11 -0.282 -9.340 -0.422
82 HB3 PRO 11 1HB PRO 11 0.408 -8.174 0.720
83 HG2 PRO 11 2HG PRO 11 -1.777 -10.156 1.169
84 HG3 PRO 11 1HG PRO 11 -0.382 -9.782 2.198
85 HD2 PRO 11 2HD PRO 11 -2.771 -8.790 2.762
86 HD3 PRO 11 1HD PRO 11 -1.322 -7.774 2.943
87 H ASP 12 H ASP 12 -3.501 -9.174 -0.419
88 HA ASP 12 HA ASP 12 -3.213 -9.128 -3.348
89 HB2 ASP 12 2HB ASP 12 -4.435 -11.195 -3.411
90 HB3 ASP 12 1HB ASP 12 -3.186 -11.341 -2.182
91 H ASN 13 H ASN 13 -4.905 -7.463 -1.152
92 HA ASN 13 HA ASN 13 -6.994 -6.750 -2.966
93 HB2 ASN 13 2HB ASN 13 -7.916 -8.849 -1.905
94 HB3 ASN 13 1HB ASN 13 -7.775 -8.077 -0.339
95 HD21 ASN 13 1HD2 ASN 13 -9.497 -8.132 -3.355
96 HD22 ASN 13 2HD2 ASN 13 -10.852 -7.203 -2.819
97 H ASP 14 H ASP 14 -5.538 -4.985 -2.571
98 HA ASP 14 HA ASP 14 -5.486 -3.852 0.101
99 HB2 ASP 14 2HB ASP 14 -3.775 -2.363 -0.690
100 HB3 ASP 14 1HB ASP 14 -3.380 -4.036 -1.062
101 H LYS 15 H LYS 15 -5.844 -1.786 0.562
102 HA LYS 15 HA LYS 15 -7.338 -0.217 -1.383
103 HB2 LYS 15 2HB LYS 15 -7.595 -0.225 1.623
104 HB3 LYS 15 1HB LYS 15 -8.435 0.879 0.553
105 HG2 LYS 15 2HG LYS 15 -9.582 -1.074 -0.472
106 HG3 LYS 15 1HG LYS 15 -8.778 -2.111 0.702
107 HD2 LYS 15 2HD LYS 15 -10.931 -1.730 1.581
108 HD3 LYS 15 1HD LYS 15 -9.871 -0.677 2.502
109 HE2 LYS 15 2HE LYS 15 -11.626 0.157 0.182
110 HE3 LYS 15 1HE LYS 15 -11.988 0.421 1.881
111 HZ1 LYS 15 1HZ LYS 15 -11.172 2.428 0.964
112 HZ2 LYS 15 2HZ LYS 15 -9.882 1.716 0.233
113 HZ3 LYS 15 3HZ LYS 15 -9.914 1.854 1.929
114 H CYS 16 H CYS 16 -5.446 0.676 -2.133
115 HA CYS 16 HA CYS 16 -4.248 2.698 -0.406
116 HB2 CYS 16 2HB CYS 16 -2.689 0.941 -2.346
117 HB3 CYS 16 1HB CYS 16 -2.028 2.201 -1.322
118 H CYS 17 H CYS 17 -3.682 4.551 -1.624
119 HA CYS 17 HA CYS 17 -5.306 4.976 -3.923
120 HB2 CYS 17 2HB CYS 17 -4.940 6.728 -2.302
121 HB3 CYS 17 1HB CYS 17 -3.211 6.682 -2.601
122 H ARG 18 H ARG 18 -4.765 3.948 -5.714
123 HA ARG 18 HA ARG 18 -2.048 3.476 -6.528
124 HB2 ARG 18 2HB ARG 18 -4.549 3.104 -8.201
125 HB3 ARG 18 1HB ARG 18 -3.027 2.251 -8.359
126 HG2 ARG 18 2HG ARG 18 -5.006 1.948 -6.097
127 HG3 ARG 18 1HG ARG 18 -4.768 0.822 -7.424
128 HD2 ARG 18 2HD ARG 18 -2.639 1.550 -5.409
129 HD3 ARG 18 1HD ARG 18 -3.697 0.155 -5.257
130 HE ARG 18 HE ARG 18 -1.957 0.481 -7.592
131 HH11 ARG 18 1HH1 ARG 18 -2.948 -1.472 -4.715
132 HH12 ARG 18 2HH1 ARG 18 -2.051 -2.794 -5.204
133 HH21 ARG 18 1HH2 ARG 18 -0.697 -1.382 -8.151
134 HH22 ARG 18 2HH2 ARG 18 -0.710 -2.754 -7.133
135 HA PRO 19 HA PRO 19 -1.109 3.143 -8.429
136 HB2 PRO 19 2HB PRO 19 0.500 3.794 -10.399
137 HB3 PRO 19 1HB PRO 19 -1.224 3.557 -10.721
138 HG2 PRO 19 2HG PRO 19 0.321 6.099 -10.523
139 HG3 PRO 19 1HG PRO 19 -1.040 5.696 -11.578
140 HD2 PRO 19 2HD PRO 19 -1.145 7.082 -9.095
141 HD3 PRO 19 1HD PRO 19 -2.524 6.507 -10.051
142 H ASN 20 H ASN 20 -0.508 5.919 -6.941
143 HA ASN 20 HA ASN 20 2.392 5.796 -6.889
144 HB2 ASN 20 2HB ASN 20 0.490 7.613 -5.395
145 HB3 ASN 20 1HB ASN 20 2.238 7.661 -5.204
146 HD21 ASN 20 1HD2 ASN 20 -0.437 8.462 -7.214
147 HD22 ASN 20 2HD2 ASN 20 0.440 9.395 -8.369
148 H LEU 21 H LEU 21 -0.299 4.860 -4.877
149 HA LEU 21 HA LEU 21 1.605 3.800 -2.952
150 HB2 LEU 21 2HB LEU 21 -1.374 4.377 -2.643
151 HB3 LEU 21 1HB LEU 21 -0.388 3.483 -1.517
152 HG LEU 21 HG LEU 21 -0.802 5.652 -0.719
153 HD11 LEU 21 1HD1 LEU 21 1.488 6.212 -0.140
154 HD12 LEU 21 2HD1 LEU 21 2.062 5.142 -1.412
155 HD13 LEU 21 3HD1 LEU 21 1.161 4.483 -0.046
156 HD21 LEU 21 1HD2 LEU 21 0.767 6.681 -3.088
157 HD22 LEU 21 2HD2 LEU 21 0.248 7.648 -1.705
158 HD23 LEU 21 3HD2 LEU 21 -0.950 6.942 -2.790
159 H VAL 22 H VAL 22 1.978 1.790 -3.080
160 HA VAL 22 HA VAL 22 -0.064 0.002 -4.179
161 HB VAL 22 HB VAL 22 1.763 -1.478 -5.000
162 HG11 VAL 22 1HG1 VAL 22 1.877 1.329 -6.086
163 HG12 VAL 22 2HG1 VAL 22 0.742 0.064 -6.561
164 HG13 VAL 22 3HG1 VAL 22 2.462 -0.111 -6.916
165 HG21 VAL 22 1HG2 VAL 22 3.596 0.807 -4.244
166 HG22 VAL 22 2HG2 VAL 22 4.070 -0.621 -5.165
167 HG23 VAL 22 3HG2 VAL 22 3.552 -0.785 -3.487
168 H CYS 23 H CYS 23 0.059 -2.191 -3.253
169 HA CYS 23 HA CYS 23 0.648 -1.905 -0.425
170 HB2 CYS 23 2HB CYS 23 -1.582 -2.692 -1.196
171 HB3 CYS 23 1HB CYS 23 -0.806 -4.100 -1.900
172 H SER 24 H SER 24 2.437 -2.712 0.357
173 HA SER 24 HA SER 24 4.238 -4.304 -1.140
174 HB2 SER 24 2HB SER 24 5.002 -2.815 0.666
175 HB3 SER 24 1HB SER 24 4.072 -3.739 1.839
176 HG SER 24 HG SER 24 6.410 -4.438 0.449
177 H ARG 25 H ARG 25 4.294 -6.550 -1.294
178 HA ARG 25 HA ARG 25 2.101 -7.916 -0.060
179 HB2 ARG 25 2HB ARG 25 2.908 -9.994 -1.122
180 HB3 ARG 25 1HB ARG 25 2.663 -8.693 -2.267
181 HG2 ARG 25 2HG ARG 25 4.939 -8.430 -2.637
182 HG3 ARG 25 1HG ARG 25 5.370 -9.265 -1.141
183 HD2 ARG 25 2HD ARG 25 5.766 -10.619 -3.172
184 HD3 ARG 25 1HD ARG 25 4.659 -11.367 -2.032
185 HE ARG 25 HE ARG 25 3.762 -9.944 -4.454
186 HH11 ARG 25 1HH1 ARG 25 3.522 -12.704 -2.238
187 HH12 ARG 25 2HH1 ARG 25 2.357 -13.517 -3.162
188 HH21 ARG 25 1HH2 ARG 25 2.110 -11.075 -5.700
189 HH22 ARG 25 2HH2 ARG 25 1.536 -12.578 -5.151
190 H LEU 26 H LEU 26 5.485 -7.607 0.490
191 HA LEU 26 HA LEU 26 5.550 -9.736 2.427
192 HB2 LEU 26 2HB LEU 26 7.607 -7.640 1.745
193 HB3 LEU 26 1HB LEU 26 7.864 -8.995 2.821
194 HG LEU 26 HG LEU 26 7.304 -9.203 -0.142
195 HD11 LEU 26 1HD1 LEU 26 9.502 -8.275 0.320
196 HD12 LEU 26 2HD1 LEU 26 9.624 -9.915 -0.318
197 HD13 LEU 26 3HD1 LEU 26 9.851 -9.621 1.406
198 HD21 LEU 26 1HD2 LEU 26 6.448 -11.135 1.061
199 HD22 LEU 26 2HD2 LEU 26 7.986 -11.314 1.904
200 HD23 LEU 26 3HD2 LEU 26 7.901 -11.573 0.162
201 H HIS 27 H HIS 27 5.624 -6.181 2.461
202 HA HIS 27 HA HIS 27 5.722 -6.259 5.357
203 HB2 HIS 27 2HB HIS 27 5.896 -3.945 3.445
204 HB3 HIS 27 1HB HIS 27 5.960 -3.787 5.192
205 HD1 HIS 27 1HD HIS 27 8.170 -4.461 6.345
206 HD2 HIS 27 2HD HIS 27 8.153 -5.016 2.236
207 HE1 HIS 27 1HE HIS 27 10.578 -4.805 5.694
208 H ARG 28 H ARG 28 3.401 -6.111 2.997
209 HA ARG 28 HA ARG 28 1.335 -5.417 2.800
210 HB2 ARG 28 2HB ARG 28 -0.256 -6.270 4.552
211 HB3 ARG 28 1HB ARG 28 0.849 -7.448 3.879
212 HG2 ARG 28 2HG ARG 28 2.195 -7.369 5.888
213 HG3 ARG 28 1HG ARG 28 1.178 -6.101 6.560
214 HD2 ARG 28 2HD ARG 28 0.323 -8.918 5.876
215 HD3 ARG 28 1HD ARG 28 0.580 -8.272 7.495
216 HE ARG 28 HE ARG 28 -1.253 -6.610 6.643
217 HH11 ARG 28 1HH1 ARG 28 -1.147 -10.151 6.319
218 HH12 ARG 28 2HH1 ARG 28 -2.839 -10.321 6.205
219 HH21 ARG 28 1HH2 ARG 28 -3.615 -6.888 6.555
220 HH22 ARG 28 2HH2 ARG 28 -4.259 -8.455 6.391
221 H TRP 29 H TRP 29 2.525 -3.234 3.073
222 HA TRP 29 HA TRP 29 0.478 -1.647 4.335
223 HB2 TRP 29 2HB TRP 29 2.081 0.060 5.138
224 HB3 TRP 29 1HB TRP 29 2.314 -1.474 5.947
225 HD1 TRP 29 HD TRP 29 3.932 -0.123 2.652
226 HE1 TRP 29 1HE TRP 29 6.500 -0.266 2.916
227 HE3 TRP 29 3HE TRP 29 4.137 -1.846 7.445
228 HZ2 TRP 29 2HZ TRP 29 8.356 -0.978 4.932
229 HZ3 TRP 29 3HZ TRP 29 6.343 -2.213 8.477
230 HH2 TRP 29 HH TRP 29 8.400 -1.785 7.237
231 H CYS 30 H CYS 30 0.225 0.422 3.394
232 HA CYS 30 HA CYS 30 0.528 0.372 0.559
233 HB2 CYS 30 2HB CYS 30 -0.386 2.542 2.443
234 HB3 CYS 30 1HB CYS 30 -0.513 2.664 0.706
235 H LYS 31 H LYS 31 2.548 0.534 -0.114
236 HA LYS 31 HA LYS 31 4.322 2.546 1.061
237 HB2 LYS 31 2HB LYS 31 6.148 1.356 -0.102
238 HB3 LYS 31 1HB LYS 31 5.276 0.295 0.985
239 HG2 LYS 31 2HG LYS 31 4.119 -0.735 -0.856
240 HG3 LYS 31 1HG LYS 31 4.799 0.432 -1.982
241 HD2 LYS 31 2HD LYS 31 6.568 -1.389 -0.366
242 HD3 LYS 31 1HD LYS 31 5.826 -1.944 -1.858
243 HE2 LYS 31 2HE LYS 31 8.072 -1.201 -2.344
244 HE3 LYS 31 1HE LYS 31 6.943 -0.065 -3.058
245 HZ1 LYS 31 1HZ LYS 31 8.414 0.366 -0.507
246 HZ2 LYS 31 2HZ LYS 31 7.451 1.519 -1.321
247 HZ3 LYS 31 3HZ LYS 31 8.863 0.973 -2.005
248 H TYR 32 H TYR 32 5.679 3.700 -0.494
249 HA TYR 32 HA TYR 32 4.041 4.573 -2.701
250 HB2 TYR 32 2HB TYR 32 6.649 5.660 -1.589
251 HB3 TYR 32 1HB TYR 32 5.746 6.367 -2.929
252 HD1 TYR 32 1HD TYR 32 3.582 7.437 -2.546
253 HD2 TYR 32 2HD TYR 32 5.912 5.967 0.688
254 HE1 TYR 32 1HE TYR 32 2.202 8.700 -0.996
255 HE2 TYR 32 2HE TYR 32 4.545 7.239 2.260
256 HH TYR 32 HH TYR 32 3.102 9.194 2.258
257 H VAL 33 H VAL 33 4.905 4.678 -4.795
258 HA VAL 33 HA VAL 33 6.349 2.369 -5.490
259 HB VAL 33 HB VAL 33 6.377 3.320 -7.865
260 HG11 VAL 33 1HG1 VAL 33 3.750 3.051 -6.402
261 HG12 VAL 33 2HG1 VAL 33 4.713 1.724 -7.052
262 HG13 VAL 33 3HG1 VAL 33 3.971 2.894 -8.144
263 HG21 VAL 33 1HG2 VAL 33 4.602 5.401 -6.565
264 HG22 VAL 33 2HG2 VAL 33 4.863 5.211 -8.299
265 HG23 VAL 33 3HG2 VAL 33 6.195 5.702 -7.250
266 H PHE 34 H PHE 34 8.079 2.571 -4.241
267 HA PHE 34 HA PHE 34 10.407 3.439 -5.639
268 HB2 PHE 34 2HB PHE 34 9.794 5.369 -4.087
269 HB3 PHE 34 1HB PHE 34 9.959 4.249 -2.740
270 HD1 PHE 34 1HD PHE 34 11.730 6.066 -5.393
271 HD2 PHE 34 2HD PHE 34 12.145 3.596 -1.952
272 HE1 PHE 34 1HE PHE 34 14.125 6.592 -5.309
273 HE2 PHE 34 2HE PHE 34 14.546 4.118 -1.865
274 HZ PHE 34 HZ PHE 34 15.541 5.616 -3.537
Start of MODEL 7
1 H1 ASP 1 1HT ASP 1 -6.561 13.195 -3.213
2 H2 ASP 1 2HT ASP 1 -7.928 13.923 -2.504
3 H3 ASP 1 3HT ASP 1 -8.002 12.377 -3.157
4 HA ASP 1 HA ASP 1 -6.277 12.964 -0.874
5 HB2 ASP 1 2HB ASP 1 -9.029 11.691 -0.956
6 HB3 ASP 1 1HB ASP 1 -7.969 11.688 0.444
7 H CYS 2 H CYS 2 -5.225 11.077 -0.159
8 HA CYS 2 HA CYS 2 -5.701 8.743 -1.814
9 HB2 CYS 2 2HB CYS 2 -3.713 9.802 -2.745
10 HB3 CYS 2 1HB CYS 2 -2.981 9.865 -1.147
11 H LEU 3 H LEU 3 -5.726 6.910 -0.766
12 HA LEU 3 HA LEU 3 -5.373 6.950 2.128
13 HB2 LEU 3 2HB LEU 3 -6.359 4.764 0.305
14 HB3 LEU 3 1HB LEU 3 -6.454 4.794 2.050
15 HG LEU 3 HG LEU 3 -7.929 6.672 0.220
16 HD11 LEU 3 1HD1 LEU 3 -8.690 4.382 -0.038
17 HD12 LEU 3 2HD1 LEU 3 -9.888 5.371 0.793
18 HD13 LEU 3 3HD1 LEU 3 -8.892 4.243 1.711
19 HD21 LEU 3 1HD2 LEU 3 -7.522 7.632 2.419
20 HD22 LEU 3 2HD2 LEU 3 -8.158 6.180 3.192
21 HD23 LEU 3 3HD2 LEU 3 -9.226 7.214 2.241
22 H GLY 4 H GLY 4 -3.975 5.368 3.110
23 HA2 GLY 4 2HA GLY 4 -2.519 3.390 2.208
24 HA3 GLY 4 1HA GLY 4 -1.714 4.726 1.401
25 H ALA 5 H ALA 5 -0.683 6.299 2.648
26 HA ALA 5 HA ALA 5 0.874 6.900 4.211
27 HB1 ALA 5 1HB ALA 5 -0.096 7.466 6.343
28 HB2 ALA 5 2HB ALA 5 -1.477 6.415 6.019
29 HB3 ALA 5 3HB ALA 5 -1.214 7.860 5.036
30 H PHE 6 H PHE 6 1.353 4.183 3.661
31 HA PHE 6 HA PHE 6 2.543 2.435 4.388
32 HB2 PHE 6 2HB PHE 6 2.995 4.067 6.900
33 HB3 PHE 6 1HB PHE 6 3.876 2.618 6.454
34 HD1 PHE 6 1HD PHE 6 3.747 6.153 6.284
35 HD2 PHE 6 2HD PHE 6 5.226 2.710 4.266
36 HE1 PHE 6 1HE PHE 6 5.421 7.545 5.149
37 HE2 PHE 6 2HE PHE 6 6.899 4.098 3.121
38 HZ PHE 6 HZ PHE 6 7.001 6.524 3.568
39 H ARG 7 H ARG 7 -0.383 2.661 5.058
40 HA ARG 7 HA ARG 7 -0.585 1.293 7.582
41 HB2 ARG 7 2HB ARG 7 -2.697 1.627 5.437
42 HB3 ARG 7 1HB ARG 7 -2.974 0.915 7.008
43 HG2 ARG 7 2HG ARG 7 -2.353 3.793 6.367
44 HG3 ARG 7 1HG ARG 7 -3.853 3.132 6.998
45 HD2 ARG 7 2HD ARG 7 -2.841 4.114 8.853
46 HD3 ARG 7 1HD ARG 7 -2.436 2.404 9.015
47 HE ARG 7 HE ARG 7 -0.518 4.034 7.615
48 HH11 ARG 7 1HH1 ARG 7 -1.394 2.584 10.717
49 HH12 ARG 7 2HH1 ARG 7 0.154 2.800 11.394
50 HH21 ARG 7 1HH2 ARG 7 1.527 4.375 8.532
51 HH22 ARG 7 2HH2 ARG 7 1.883 3.838 10.114
52 H LYS 8 H LYS 8 -0.603 -0.774 7.945
53 HA LYS 8 HA LYS 8 0.260 -2.571 5.981
54 HB2 LYS 8 2HB LYS 8 -0.961 -3.120 8.690
55 HB3 LYS 8 1HB LYS 8 -0.305 -4.383 7.652
56 HG2 LYS 8 2HG LYS 8 1.888 -3.239 7.683
57 HG3 LYS 8 1HG LYS 8 1.226 -2.051 8.802
58 HD2 LYS 8 2HD LYS 8 1.409 -5.021 9.324
59 HD3 LYS 8 1HD LYS 8 2.558 -3.825 9.911
60 HE2 LYS 8 2HE LYS 8 -0.383 -3.919 10.581
61 HE3 LYS 8 1HE LYS 8 0.929 -4.466 11.621
62 HZ1 LYS 8 1HZ LYS 8 0.190 -2.260 12.237
63 HZ2 LYS 8 2HZ LYS 8 0.513 -1.669 10.703
64 HZ3 LYS 8 3HZ LYS 8 1.769 -2.184 11.678
65 H CYS 9 H CYS 9 -0.710 -3.807 4.603
66 HA CYS 9 HA CYS 9 -3.579 -3.282 4.298
67 HB2 CYS 9 2HB CYS 9 -3.048 -3.349 1.850
68 HB3 CYS 9 1HB CYS 9 -2.382 -1.982 2.746
69 H ILE 10 H ILE 10 -4.700 -4.740 2.928
70 HA ILE 10 HA ILE 10 -3.847 -7.515 3.153
71 HB ILE 10 HB ILE 10 -6.531 -6.287 2.403
72 HG12 ILE 10 2HG1 ILE 10 -6.048 -5.904 4.759
73 HG13 ILE 10 1HG1 ILE 10 -7.337 -7.088 4.592
74 HG21 ILE 10 1HG2 ILE 10 -5.850 -9.178 2.902
75 HG22 ILE 10 2HG2 ILE 10 -6.236 -8.449 1.343
76 HG23 ILE 10 3HG2 ILE 10 -7.466 -8.540 2.602
77 HD11 ILE 10 1HD1 ILE 10 -4.452 -7.676 5.225
78 HD12 ILE 10 2HD1 ILE 10 -5.730 -8.877 5.047
79 HD13 ILE 10 3HD1 ILE 10 -5.804 -7.701 6.358
80 HA PRO 11 HA PRO 11 -2.456 -6.611 -1.062
81 HB2 PRO 11 2HB PRO 11 -1.913 -9.241 -1.727
82 HB3 PRO 11 1HB PRO 11 -0.800 -8.147 -0.903
83 HG2 PRO 11 2HG PRO 11 -2.627 -10.213 0.256
84 HG3 PRO 11 1HG PRO 11 -0.950 -9.833 0.694
85 HD2 PRO 11 2HD PRO 11 -2.964 -8.992 2.190
86 HD3 PRO 11 1HD PRO 11 -1.572 -7.931 1.886
87 H ASP 12 H ASP 12 -5.060 -8.815 -0.307
88 HA ASP 12 HA ASP 12 -5.837 -9.058 -3.119
89 HB2 ASP 12 2HB ASP 12 -6.135 -11.032 -1.717
90 HB3 ASP 12 1HB ASP 12 -7.139 -10.110 -0.604
91 H ASN 13 H ASN 13 -6.367 -6.866 -0.610
92 HA ASN 13 HA ASN 13 -8.283 -5.456 -2.150
93 HB2 ASN 13 2HB ASN 13 -9.844 -6.992 -1.018
94 HB3 ASN 13 1HB ASN 13 -9.194 -6.501 0.543
95 HD21 ASN 13 1HD2 ASN 13 -11.221 -5.820 1.209
96 HD22 ASN 13 2HD2 ASN 13 -11.962 -4.368 0.661
97 H ASP 14 H ASP 14 -6.374 -4.271 -2.036
98 HA ASP 14 HA ASP 14 -5.927 -2.796 0.418
99 HB2 ASP 14 2HB ASP 14 -4.026 -1.769 -0.741
100 HB3 ASP 14 1HB ASP 14 -3.942 -3.523 -0.832
101 H LYS 15 H LYS 15 -6.316 -0.655 0.645
102 HA LYS 15 HA LYS 15 -7.695 0.673 -1.567
103 HB2 LYS 15 2HB LYS 15 -8.147 1.058 1.402
104 HB3 LYS 15 1HB LYS 15 -8.947 1.968 0.134
105 HG2 LYS 15 2HG LYS 15 -10.160 0.016 -0.565
106 HG3 LYS 15 1HG LYS 15 -9.223 -1.007 0.530
107 HD2 LYS 15 2HD LYS 15 -10.105 0.289 2.442
108 HD3 LYS 15 1HD LYS 15 -11.089 1.228 1.323
109 HE2 LYS 15 2HE LYS 15 -11.261 -1.760 1.614
110 HE3 LYS 15 1HE LYS 15 -12.277 -0.634 2.508
111 HZ1 LYS 15 1HZ LYS 15 -12.186 -0.891 -0.462
112 HZ2 LYS 15 2HZ LYS 15 -13.160 0.164 0.413
113 HZ3 LYS 15 3HZ LYS 15 -13.378 -1.501 0.567
114 H CYS 16 H CYS 16 -5.681 1.555 -2.319
115 HA CYS 16 HA CYS 16 -4.645 3.771 -0.842
116 HB2 CYS 16 2HB CYS 16 -2.876 1.449 -1.801
117 HB3 CYS 16 1HB CYS 16 -2.324 2.927 -1.038
118 H CYS 17 H CYS 17 -3.560 5.211 -2.505
119 HA CYS 17 HA CYS 17 -4.849 4.685 -5.009
120 HB2 CYS 17 2HB CYS 17 -4.091 6.911 -5.752
121 HB3 CYS 17 1HB CYS 17 -4.889 6.991 -4.193
122 H ARG 18 H ARG 18 -3.884 2.892 -5.790
123 HA ARG 18 HA ARG 18 -1.080 2.883 -6.344
124 HB2 ARG 18 2HB ARG 18 -1.354 0.737 -7.432
125 HB3 ARG 18 1HB ARG 18 -2.404 0.736 -6.035
126 HG2 ARG 18 2HG ARG 18 -3.316 1.209 -8.875
127 HG3 ARG 18 1HG ARG 18 -3.352 -0.347 -8.056
128 HD2 ARG 18 2HD ARG 18 -4.835 2.136 -7.214
129 HD3 ARG 18 1HD ARG 18 -5.542 0.765 -8.062
130 HE ARG 18 HE ARG 18 -4.305 -0.116 -5.698
131 HH11 ARG 18 1HH1 ARG 18 -7.200 1.627 -6.785
132 HH12 ARG 18 2HH1 ARG 18 -8.084 1.266 -5.377
133 HH21 ARG 18 1HH2 ARG 18 -5.511 -0.573 -3.801
134 HH22 ARG 18 2HH2 ARG 18 -7.127 -0.021 -3.660
135 HA PRO 19 HA PRO 19 0.256 2.028 -7.805
136 HB2 PRO 19 2HB PRO 19 2.153 2.551 -9.566
137 HB3 PRO 19 1HB PRO 19 0.733 1.598 -10.018
138 HG2 PRO 19 2HG PRO 19 1.409 4.411 -10.692
139 HG3 PRO 19 1HG PRO 19 0.492 3.218 -11.629
140 HD2 PRO 19 2HD PRO 19 -0.540 5.289 -9.959
141 HD3 PRO 19 1HD PRO 19 -1.454 4.015 -10.789
142 H ASN 20 H ASN 20 -0.254 5.045 -7.112
143 HA ASN 20 HA ASN 20 2.393 6.100 -6.722
144 HB2 ASN 20 2HB ASN 20 -0.264 6.934 -5.505
145 HB3 ASN 20 1HB ASN 20 1.234 7.820 -5.316
146 HD21 ASN 20 1HD2 ASN 20 0.357 9.648 -6.228
147 HD22 ASN 20 2HD2 ASN 20 0.023 9.795 -7.915
148 H LEU 21 H LEU 21 -0.132 4.745 -4.695
149 HA LEU 21 HA LEU 21 1.922 3.870 -2.808
150 HB2 LEU 21 2HB LEU 21 -0.970 4.593 -2.195
151 HB3 LEU 21 1HB LEU 21 0.084 3.730 -1.129
152 HG LEU 21 HG LEU 21 1.647 5.659 -1.062
153 HD11 LEU 21 1HD1 LEU 21 -0.555 7.149 -2.454
154 HD12 LEU 21 2HD1 LEU 21 1.045 6.782 -3.095
155 HD13 LEU 21 3HD1 LEU 21 0.878 7.863 -1.709
156 HD21 LEU 21 1HD2 LEU 21 0.268 6.981 0.457
157 HD22 LEU 21 2HD2 LEU 21 0.138 5.241 0.708
158 HD23 LEU 21 3HD2 LEU 21 -1.162 6.115 -0.123
159 H VAL 22 H VAL 22 2.154 1.845 -2.807
160 HA VAL 22 HA VAL 22 -0.084 0.198 -3.715
161 HB VAL 22 HB VAL 22 1.603 -1.383 -4.753
162 HG11 VAL 22 1HG1 VAL 22 1.919 -0.053 -6.789
163 HG12 VAL 22 2HG1 VAL 22 1.481 1.404 -5.895
164 HG13 VAL 22 3HG1 VAL 22 0.290 0.124 -6.136
165 HG21 VAL 22 1HG2 VAL 22 3.592 -0.591 -3.564
166 HG22 VAL 22 2HG2 VAL 22 3.471 0.964 -4.386
167 HG23 VAL 22 3HG2 VAL 22 3.821 -0.498 -5.310
168 H CYS 23 H CYS 23 -0.270 -1.851 -2.855
169 HA CYS 23 HA CYS 23 0.547 -2.057 -0.132
170 HB2 CYS 23 2HB CYS 23 -1.683 -2.788 -0.959
171 HB3 CYS 23 1HB CYS 23 -0.899 -4.018 -1.938
172 H SER 24 H SER 24 2.812 -2.288 -0.049
173 HA SER 24 HA SER 24 4.182 -4.011 -1.785
174 HB2 SER 24 2HB SER 24 4.895 -2.628 0.763
175 HB3 SER 24 1HB SER 24 6.059 -3.313 -0.371
176 HG SER 24 HG SER 24 4.289 -1.818 -1.665
177 H ARG 25 H ARG 25 4.620 -6.110 -1.563
178 HA ARG 25 HA ARG 25 3.307 -7.744 0.248
179 HB2 ARG 25 2HB ARG 25 3.824 -8.347 -2.009
180 HB3 ARG 25 1HB ARG 25 5.542 -8.164 -1.710
181 HG2 ARG 25 2HG ARG 25 5.046 -10.443 -1.779
182 HG3 ARG 25 1HG ARG 25 5.397 -9.985 -0.102
183 HD2 ARG 25 2HD ARG 25 3.494 -11.508 -0.151
184 HD3 ARG 25 1HD ARG 25 2.971 -9.899 0.346
185 HE ARG 25 HE ARG 25 2.677 -10.087 -2.414
186 HH11 ARG 25 1HH1 ARG 25 1.229 -11.441 0.519
187 HH12 ARG 25 2HH1 ARG 25 -0.263 -11.813 -0.201
188 HH21 ARG 25 1HH2 ARG 25 0.615 -10.582 -3.434
189 HH22 ARG 25 2HH2 ARG 25 -0.621 -11.293 -2.527
190 H LEU 26 H LEU 26 6.707 -6.773 -0.056
191 HA LEU 26 HA LEU 26 7.670 -8.445 2.043
192 HB2 LEU 26 2HB LEU 26 9.105 -7.712 0.254
193 HB3 LEU 26 1HB LEU 26 8.878 -6.037 0.701
194 HG LEU 26 HG LEU 26 10.053 -6.502 2.845
195 HD11 LEU 26 1HD1 LEU 26 9.648 -8.879 3.033
196 HD12 LEU 26 2HD1 LEU 26 11.381 -8.553 3.041
197 HD13 LEU 26 3HD1 LEU 26 10.606 -9.180 1.585
198 HD21 LEU 26 1HD2 LEU 26 12.279 -6.582 1.866
199 HD22 LEU 26 2HD2 LEU 26 11.215 -5.543 0.919
200 HD23 LEU 26 3HD2 LEU 26 11.598 -7.171 0.355
201 H HIS 27 H HIS 27 6.408 -5.267 1.917
202 HA HIS 27 HA HIS 27 7.390 -4.618 4.590
203 HB2 HIS 27 2HB HIS 27 5.796 -2.936 2.643
204 HB3 HIS 27 1HB HIS 27 6.469 -2.373 4.161
205 HD1 HIS 27 1HD HIS 27 8.926 -1.628 4.124
206 HD2 HIS 27 2HD HIS 27 7.750 -3.526 0.624
207 HE1 HIS 27 1HE HIS 27 10.756 -1.205 2.425
208 H ARG 28 H ARG 28 4.567 -5.580 2.888
209 HA ARG 28 HA ARG 28 2.546 -6.208 3.393
210 HB2 ARG 28 2HB ARG 28 3.477 -6.078 6.260
211 HB3 ARG 28 1HB ARG 28 1.893 -6.666 5.775
212 HG2 ARG 28 2HG ARG 28 2.966 -8.431 4.448
213 HG3 ARG 28 1HG ARG 28 4.545 -7.847 4.976
214 HD2 ARG 28 2HD ARG 28 3.826 -9.749 6.316
215 HD3 ARG 28 1HD ARG 28 3.938 -8.279 7.285
216 HE ARG 28 HE ARG 28 1.341 -8.930 6.200
217 HH11 ARG 28 1HH1 ARG 28 3.506 -9.012 8.992
218 HH12 ARG 28 2HH1 ARG 28 2.290 -9.334 10.136
219 HH21 ARG 28 1HH2 ARG 28 -0.379 -9.343 7.796
220 HH22 ARG 28 2HH2 ARG 28 0.019 -9.526 9.434
221 H TRP 29 H TRP 29 3.449 -3.370 3.313
222 HA TRP 29 HA TRP 29 0.903 -2.304 4.137
223 HB2 TRP 29 2HB TRP 29 1.852 -0.293 5.147
224 HB3 TRP 29 1HB TRP 29 2.331 -1.729 6.019
225 HD1 TRP 29 HD TRP 29 4.105 0.128 3.046
226 HE1 TRP 29 1HE TRP 29 6.525 0.678 3.813
227 HE3 TRP 29 3HE TRP 29 3.915 -1.728 7.805
228 HZ2 TRP 29 2HZ TRP 29 8.097 0.384 6.103
229 HZ3 TRP 29 3HZ TRP 29 5.918 -1.548 9.222
230 HH2 TRP 29 HH TRP 29 7.966 -0.515 8.383
231 H CYS 30 H CYS 30 0.361 -0.318 3.211
232 HA CYS 30 HA CYS 30 1.116 -0.107 0.464
233 HB2 CYS 30 2HB CYS 30 -0.634 1.473 2.277
234 HB3 CYS 30 1HB CYS 30 -0.322 2.043 0.656
235 H LYS 31 H LYS 31 3.039 0.625 -0.018
236 HA LYS 31 HA LYS 31 4.057 2.791 1.640
237 HB2 LYS 31 2HB LYS 31 6.220 1.990 1.379
238 HB3 LYS 31 1HB LYS 31 5.292 0.536 1.384
239 HG2 LYS 31 2HG LYS 31 5.479 0.281 -0.983
240 HG3 LYS 31 1HG LYS 31 6.265 1.859 -1.129
241 HD2 LYS 31 2HD LYS 31 8.120 1.045 0.295
242 HD3 LYS 31 1HD LYS 31 7.305 -0.519 0.384
243 HE2 LYS 31 2HE LYS 31 8.153 0.711 -2.228
244 HE3 LYS 31 1HE LYS 31 9.221 -0.312 -1.275
245 HZ1 LYS 31 1HZ LYS 31 7.773 -2.135 -1.540
246 HZ2 LYS 31 2HZ LYS 31 7.923 -1.487 -3.073
247 HZ3 LYS 31 3HZ LYS 31 6.532 -1.217 -2.178
248 H TYR 32 H TYR 32 5.206 4.463 0.617
249 HA TYR 32 HA TYR 32 3.943 5.364 -1.807
250 HB2 TYR 32 2HB TYR 32 6.098 6.589 -0.061
251 HB3 TYR 32 1HB TYR 32 5.352 7.392 -1.430
252 HD1 TYR 32 1HD TYR 32 3.292 8.511 -1.199
253 HD2 TYR 32 2HD TYR 32 4.706 6.056 1.963
254 HE1 TYR 32 1HE TYR 32 1.561 9.419 0.282
255 HE2 TYR 32 2HE TYR 32 2.998 6.945 3.443
256 HH TYR 32 HH TYR 32 1.637 9.010 3.615
257 H VAL 33 H VAL 33 4.781 5.007 -3.767
258 HA VAL 33 HA VAL 33 7.619 4.391 -3.831
259 HB VAL 33 HB VAL 33 7.202 3.101 -5.985
260 HG11 VAL 33 1HG1 VAL 33 5.924 2.088 -3.447
261 HG12 VAL 33 2HG1 VAL 33 7.634 1.977 -3.877
262 HG13 VAL 33 3HG1 VAL 33 6.430 1.084 -4.805
263 HG21 VAL 33 1HG2 VAL 33 4.345 3.237 -5.029
264 HG22 VAL 33 2HG2 VAL 33 4.941 2.233 -6.355
265 HG23 VAL 33 3HG2 VAL 33 4.985 3.995 -6.484
266 H PHE 34 H PHE 34 8.135 6.457 -3.934
267 HA PHE 34 HA PHE 34 7.918 7.657 -6.597
268 HB2 PHE 34 2HB PHE 34 7.930 9.093 -3.920
269 HB3 PHE 34 1HB PHE 34 8.072 9.891 -5.475
270 HD1 PHE 34 1HD PHE 34 5.818 7.950 -3.309
271 HD2 PHE 34 2HD PHE 34 6.154 10.438 -6.727
272 HE1 PHE 34 1HE PHE 34 3.361 8.193 -3.367
273 HE2 PHE 34 2HE PHE 34 3.714 10.686 -6.797
274 HZ PHE 34 HZ PHE 34 2.317 9.568 -5.117
Start of MODEL 8
1 H1 ASP 1 1HT ASP 1 -9.883 10.157 1.805
2 H2 ASP 1 2HT ASP 1 -10.027 10.514 3.460
3 H3 ASP 1 3HT ASP 1 -9.571 8.958 2.937
4 HA ASP 1 HA ASP 1 -7.985 11.369 2.446
5 HB2 ASP 1 2HB ASP 1 -7.631 9.136 4.468
6 HB3 ASP 1 1HB ASP 1 -6.396 10.321 4.073
7 H CYS 2 H CYS 2 -5.809 10.709 1.711
8 HA CYS 2 HA CYS 2 -6.040 8.711 -0.324
9 HB2 CYS 2 2HB CYS 2 -4.754 10.817 -0.683
10 HB3 CYS 2 1HB CYS 2 -3.648 10.322 0.602
11 H LEU 3 H LEU 3 -5.999 6.677 0.298
12 HA LEU 3 HA LEU 3 -4.870 5.729 2.677
13 HB2 LEU 3 2HB LEU 3 -5.510 4.274 0.170
14 HB3 LEU 3 1HB LEU 3 -5.168 3.487 1.693
15 HG LEU 3 HG LEU 3 -7.559 5.277 1.163
16 HD11 LEU 3 1HD1 LEU 3 -7.719 3.132 0.004
17 HD12 LEU 3 2HD1 LEU 3 -8.873 3.233 1.334
18 HD13 LEU 3 3HD1 LEU 3 -7.396 2.288 1.516
19 HD21 LEU 3 1HD2 LEU 3 -6.800 3.643 3.583
20 HD22 LEU 3 2HD2 LEU 3 -8.327 4.488 3.359
21 HD23 LEU 3 3HD2 LEU 3 -6.824 5.404 3.476
22 H GLY 4 H GLY 4 -2.969 5.408 3.160
23 HA2 GLY 4 2HA GLY 4 -0.894 4.257 1.732
24 HA3 GLY 4 1HA GLY 4 -0.792 5.989 1.444
25 H ALA 5 H ALA 5 0.885 6.658 2.602
26 HA ALA 5 HA ALA 5 2.225 7.180 4.327
27 HB1 ALA 5 1HB ALA 5 0.192 8.379 4.997
28 HB2 ALA 5 2HB ALA 5 1.168 7.852 6.371
29 HB3 ALA 5 3HB ALA 5 -0.303 6.970 5.950
30 H PHE 6 H PHE 6 2.004 4.341 3.750
31 HA PHE 6 HA PHE 6 2.781 2.390 4.483
32 HB2 PHE 6 2HB PHE 6 3.929 4.047 6.754
33 HB3 PHE 6 1HB PHE 6 4.384 2.383 6.388
34 HD1 PHE 6 1HD PHE 6 4.700 5.882 5.402
35 HD2 PHE 6 2HD PHE 6 5.671 1.861 4.396
36 HE1 PHE 6 1HE PHE 6 6.386 6.689 3.800
37 HE2 PHE 6 2HE PHE 6 7.350 2.664 2.797
38 HZ PHE 6 HZ PHE 6 7.709 5.075 2.495
39 H ARG 7 H ARG 7 0.127 3.130 5.156
40 HA ARG 7 HA ARG 7 -0.256 1.988 7.787
41 HB2 ARG 7 2HB ARG 7 -2.312 2.838 5.731
42 HB3 ARG 7 1HB ARG 7 -2.676 2.281 7.350
43 HG2 ARG 7 2HG ARG 7 -1.163 4.799 6.655
44 HG3 ARG 7 1HG ARG 7 -2.852 4.723 7.128
45 HD2 ARG 7 2HD ARG 7 -1.657 5.396 9.052
46 HD3 ARG 7 1HD ARG 7 -2.051 3.702 9.307
47 HE ARG 7 HE ARG 7 0.453 3.762 8.159
48 HH11 ARG 7 1HH1 ARG 7 -1.035 4.925 11.144
49 HH12 ARG 7 2HH1 ARG 7 0.387 4.867 12.062
50 HH21 ARG 7 1HH2 ARG 7 2.451 3.669 9.420
51 HH22 ARG 7 2HH2 ARG 7 2.426 4.152 11.039
52 H LYS 8 H LYS 8 -1.148 -0.006 8.155
53 HA LYS 8 HA LYS 8 -0.331 -2.052 6.454
54 HB2 LYS 8 2HB LYS 8 -2.275 -2.141 8.758
55 HB3 LYS 8 1HB LYS 8 -1.602 -3.560 7.971
56 HG2 LYS 8 2HG LYS 8 0.650 -2.858 8.637
57 HG3 LYS 8 1HG LYS 8 -0.029 -1.444 9.438
58 HD2 LYS 8 2HD LYS 8 -1.292 -2.895 10.946
59 HD3 LYS 8 1HD LYS 8 -0.649 -4.319 10.126
60 HE2 LYS 8 2HE LYS 8 0.578 -3.936 12.169
61 HE3 LYS 8 1HE LYS 8 1.630 -3.630 10.789
62 HZ1 LYS 8 1HZ LYS 8 1.912 -1.933 12.463
63 HZ2 LYS 8 2HZ LYS 8 0.282 -1.616 12.486
64 HZ3 LYS 8 3HZ LYS 8 1.178 -1.220 11.126
65 H CYS 9 H CYS 9 -1.202 -3.082 4.853
66 HA CYS 9 HA CYS 9 -3.993 -2.518 4.163
67 HB2 CYS 9 2HB CYS 9 -3.234 -2.606 1.785
68 HB3 CYS 9 1HB CYS 9 -2.585 -1.242 2.689
69 H ILE 10 H ILE 10 -4.636 -4.185 2.346
70 HA ILE 10 HA ILE 10 -3.892 -6.822 3.351
71 HB ILE 10 HB ILE 10 -6.271 -6.037 1.634
72 HG12 ILE 10 2HG1 ILE 10 -6.491 -4.907 3.791
73 HG13 ILE 10 1HG1 ILE 10 -7.661 -6.212 3.672
74 HG21 ILE 10 1HG2 ILE 10 -5.653 -8.373 1.451
75 HG22 ILE 10 2HG2 ILE 10 -7.184 -8.211 2.315
76 HG23 ILE 10 3HG2 ILE 10 -5.699 -8.544 3.206
77 HD11 ILE 10 1HD1 ILE 10 -5.070 -6.290 5.211
78 HD12 ILE 10 2HD1 ILE 10 -6.247 -7.600 5.102
79 HD13 ILE 10 3HD1 ILE 10 -6.682 -6.086 5.894
80 HA PRO 11 HA PRO 11 -1.594 -6.782 -0.581
81 HB2 PRO 11 2HB PRO 11 -1.158 -9.631 0.080
82 HB3 PRO 11 1HB PRO 11 0.028 -8.367 -0.245
83 HG2 PRO 11 2HG PRO 11 -0.328 -9.287 2.231
84 HG3 PRO 11 1HG PRO 11 -0.035 -7.563 1.935
85 HD2 PRO 11 2HD PRO 11 -2.612 -8.971 2.530
86 HD3 PRO 11 1HD PRO 11 -1.992 -7.419 3.145
87 H ASP 12 H ASP 12 -4.093 -8.909 0.344
88 HA ASP 12 HA ASP 12 -4.403 -10.203 -2.229
89 HB2 ASP 12 2HB ASP 12 -4.928 -11.503 -0.274
90 HB3 ASP 12 1HB ASP 12 -6.048 -10.279 0.300
91 H ASN 13 H ASN 13 -5.327 -7.289 -0.912
92 HA ASN 13 HA ASN 13 -6.732 -6.545 -3.193
93 HB2 ASN 13 2HB ASN 13 -8.895 -5.827 -2.098
94 HB3 ASN 13 1HB ASN 13 -8.713 -7.560 -2.270
95 HD21 ASN 13 1HD2 ASN 13 -8.539 -8.828 -0.407
96 HD22 ASN 13 2HD2 ASN 13 -8.897 -8.207 1.158
97 H ASP 14 H ASP 14 -5.151 -5.227 -3.334
98 HA ASP 14 HA ASP 14 -4.314 -3.499 -1.288
99 HB2 ASP 14 2HB ASP 14 -2.910 -2.376 -2.903
100 HB3 ASP 14 1HB ASP 14 -2.841 -4.107 -3.181
101 H LYS 15 H LYS 15 -5.291 -1.948 -0.463
102 HA LYS 15 HA LYS 15 -6.767 -0.161 -2.172
103 HB2 LYS 15 2HB LYS 15 -8.200 0.352 -0.103
104 HB3 LYS 15 1HB LYS 15 -8.489 -1.167 -0.927
105 HG2 LYS 15 2HG LYS 15 -7.058 -2.282 0.807
106 HG3 LYS 15 1HG LYS 15 -7.022 -0.744 1.671
107 HD2 LYS 15 2HD LYS 15 -9.448 -0.767 1.869
108 HD3 LYS 15 1HD LYS 15 -9.530 -2.253 0.924
109 HE2 LYS 15 2HE LYS 15 -8.220 -3.405 2.671
110 HE3 LYS 15 1HE LYS 15 -8.225 -1.924 3.625
111 HZ1 LYS 15 1HZ LYS 15 -10.635 -2.053 3.754
112 HZ2 LYS 15 2HZ LYS 15 -9.954 -3.499 4.318
113 HZ3 LYS 15 3HZ LYS 15 -10.635 -3.432 2.791
114 H CYS 16 H CYS 16 -5.113 1.114 -2.559
115 HA CYS 16 HA CYS 16 -4.261 2.902 -0.435
116 HB2 CYS 16 2HB CYS 16 -2.306 1.690 -2.435
117 HB3 CYS 16 1HB CYS 16 -1.923 2.693 -1.048
118 H CYS 17 H CYS 17 -3.184 4.888 -1.754
119 HA CYS 17 HA CYS 17 -4.821 5.428 -3.994
120 HB2 CYS 17 2HB CYS 17 -2.383 6.833 -2.949
121 HB3 CYS 17 1HB CYS 17 -3.342 7.446 -4.296
122 H ARG 18 H ARG 18 -4.477 3.676 -5.364
123 HA ARG 18 HA ARG 18 -1.924 3.223 -6.565
124 HB2 ARG 18 2HB ARG 18 -3.149 1.692 -8.122
125 HB3 ARG 18 1HB ARG 18 -3.461 1.348 -6.430
126 HG2 ARG 18 2HG ARG 18 -5.632 2.246 -6.547
127 HG3 ARG 18 1HG ARG 18 -5.304 3.024 -8.094
128 HD2 ARG 18 2HD ARG 18 -6.702 1.031 -8.384
129 HD3 ARG 18 1HD ARG 18 -5.149 0.854 -9.179
130 HE ARG 18 HE ARG 18 -4.806 -0.335 -6.740
131 HH11 ARG 18 1HH1 ARG 18 -7.173 -0.754 -9.336
132 HH12 ARG 18 2HH1 ARG 18 -7.349 -2.436 -9.103
133 HH21 ARG 18 1HH2 ARG 18 -4.998 -2.656 -6.460
134 HH22 ARG 18 2HH2 ARG 18 -6.040 -3.540 -7.464
135 HA PRO 19 HA PRO 19 -1.202 2.438 -8.401
136 HB2 PRO 19 2HB PRO 19 0.324 2.822 -10.525
137 HB3 PRO 19 1HB PRO 19 -1.362 2.326 -10.721
138 HG2 PRO 19 2HG PRO 19 -0.116 5.004 -11.113
139 HG3 PRO 19 1HG PRO 19 -1.425 4.236 -12.019
140 HD2 PRO 19 2HD PRO 19 -1.710 6.133 -9.955
141 HD3 PRO 19 1HD PRO 19 -3.001 5.128 -10.640
142 H ASN 20 H ASN 20 -0.733 5.572 -7.773
143 HA ASN 20 HA ASN 20 2.084 5.915 -7.818
144 HB2 ASN 20 2HB ASN 20 -0.046 7.368 -6.224
145 HB3 ASN 20 1HB ASN 20 1.642 7.849 -6.271
146 HD21 ASN 20 1HD2 ASN 20 1.090 9.857 -7.137
147 HD22 ASN 20 2HD2 ASN 20 0.604 10.046 -8.777
148 H LEU 21 H LEU 21 -0.138 4.609 -5.513
149 HA LEU 21 HA LEU 21 2.118 3.819 -3.832
150 HB2 LEU 21 2HB LEU 21 -0.726 4.465 -2.997
151 HB3 LEU 21 1HB LEU 21 0.436 3.671 -1.982
152 HG LEU 21 HG LEU 21 1.865 5.715 -2.057
153 HD11 LEU 21 1HD1 LEU 21 0.838 7.849 -2.673
154 HD12 LEU 21 2HD1 LEU 21 -0.514 6.977 -3.405
155 HD13 LEU 21 3HD1 LEU 21 1.111 6.793 -4.053
156 HD21 LEU 21 1HD2 LEU 21 0.474 5.220 -0.197
157 HD22 LEU 21 2HD2 LEU 21 -0.911 5.993 -0.977
158 HD23 LEU 21 3HD2 LEU 21 0.490 6.956 -0.492
159 H VAL 22 H VAL 22 2.096 1.703 -3.190
160 HA VAL 22 HA VAL 22 -0.109 0.051 -4.168
161 HB VAL 22 HB VAL 22 1.385 -1.734 -4.888
162 HG11 VAL 22 1HG1 VAL 22 2.386 -0.734 -6.892
163 HG12 VAL 22 2HG1 VAL 22 2.086 0.868 -6.213
164 HG13 VAL 22 3HG1 VAL 22 0.734 -0.191 -6.601
165 HG21 VAL 22 1HG2 VAL 22 3.673 0.126 -4.236
166 HG22 VAL 22 2HG2 VAL 22 3.825 -1.421 -5.067
167 HG23 VAL 22 3HG2 VAL 22 3.267 -1.370 -3.394
168 H CYS 23 H CYS 23 -0.209 -2.046 -3.072
169 HA CYS 23 HA CYS 23 0.461 -1.696 -0.278
170 HB2 CYS 23 2HB CYS 23 -1.816 -2.425 -0.876
171 HB3 CYS 23 1HB CYS 23 -1.154 -3.799 -1.748
172 H SER 24 H SER 24 2.483 -2.329 0.217
173 HA SER 24 HA SER 24 3.921 -4.155 -1.383
174 HB2 SER 24 2HB SER 24 5.054 -2.472 -0.005
175 HB3 SER 24 1HB SER 24 4.394 -3.209 1.453
176 HG SER 24 HG SER 24 6.150 -4.476 -0.398
177 H ARG 25 H ARG 25 3.583 -6.259 -1.444
178 HA ARG 25 HA ARG 25 1.886 -7.478 0.503
179 HB2 ARG 25 2HB ARG 25 2.062 -9.509 -0.863
180 HB3 ARG 25 1HB ARG 25 1.662 -8.106 -1.824
181 HG2 ARG 25 2HG ARG 25 3.921 -7.976 -2.662
182 HG3 ARG 25 1HG ARG 25 4.407 -9.323 -1.624
183 HD2 ARG 25 2HD ARG 25 2.352 -9.433 -3.834
184 HD3 ARG 25 1HD ARG 25 3.992 -10.082 -3.910
185 HE ARG 25 HE ARG 25 3.089 -11.357 -1.793
186 HH11 ARG 25 1HH1 ARG 25 1.459 -10.920 -4.934
187 HH12 ARG 25 2HH1 ARG 25 0.539 -12.347 -4.758
188 HH21 ARG 25 1HH2 ARG 25 1.855 -13.246 -1.613
189 HH22 ARG 25 2HH2 ARG 25 0.773 -13.712 -2.845
190 H LEU 26 H LEU 26 5.162 -7.015 0.168
191 HA LEU 26 HA LEU 26 6.017 -9.191 1.863
192 HB2 LEU 26 2HB LEU 26 7.497 -8.376 0.125
193 HB3 LEU 26 1HB LEU 26 7.439 -6.756 0.783
194 HG LEU 26 HG LEU 26 8.630 -7.578 2.806
195 HD11 LEU 26 1HD1 LEU 26 8.890 -10.135 1.243
196 HD12 LEU 26 2HD1 LEU 26 7.978 -9.906 2.737
197 HD13 LEU 26 3HD1 LEU 26 9.733 -9.748 2.742
198 HD21 LEU 26 1HD2 LEU 26 10.019 -8.075 0.179
199 HD22 LEU 26 2HD2 LEU 26 10.815 -7.808 1.727
200 HD23 LEU 26 3HD2 LEU 26 9.857 -6.520 0.995
201 H HIS 27 H HIS 27 5.721 -5.650 2.114
202 HA HIS 27 HA HIS 27 6.435 -5.757 4.921
203 HB2 HIS 27 2HB HIS 27 5.739 -3.387 3.180
204 HB3 HIS 27 1HB HIS 27 6.269 -3.285 4.848
205 HD1 HIS 27 1HD HIS 27 8.837 -3.484 5.269
206 HD2 HIS 27 2HD HIS 27 7.691 -4.088 1.333
207 HE1 HIS 27 1HE HIS 27 10.955 -3.397 3.923
208 H ARG 28 H ARG 28 3.562 -5.579 3.016
209 HA ARG 28 HA ARG 28 1.412 -5.796 3.503
210 HB2 ARG 28 2HB ARG 28 2.355 -6.074 6.355
211 HB3 ARG 28 1HB ARG 28 0.683 -6.291 5.850
212 HG2 ARG 28 2HG ARG 28 1.186 -8.208 4.604
213 HG3 ARG 28 1HG ARG 28 2.916 -7.861 4.620
214 HD2 ARG 28 2HD ARG 28 1.256 -8.583 7.023
215 HD3 ARG 28 1HD ARG 28 2.310 -9.690 6.142
216 HE ARG 28 HE ARG 28 3.353 -7.244 7.387
217 HH11 ARG 28 1HH1 ARG 28 3.437 -10.768 7.067
218 HH12 ARG 28 2HH1 ARG 28 4.875 -10.958 7.950
219 HH21 ARG 28 1HH2 ARG 28 5.340 -7.505 8.607
220 HH22 ARG 28 2HH2 ARG 28 5.977 -9.059 8.846
221 H TRP 29 H TRP 29 2.841 -3.219 3.507
222 HA TRP 29 HA TRP 29 0.542 -1.748 4.406
223 HB2 TRP 29 2HB TRP 29 1.971 0.141 5.286
224 HB3 TRP 29 1HB TRP 29 1.913 -1.301 6.274
225 HD1 TRP 29 HD TRP 29 4.338 0.026 3.505
226 HE1 TRP 29 1HE TRP 29 6.750 -0.349 4.366
227 HE3 TRP 29 3HE TRP 29 3.266 -2.155 7.993
228 HZ2 TRP 29 2HZ TRP 29 8.010 -1.422 6.663
229 HZ3 TRP 29 3HZ TRP 29 5.125 -2.818 9.468
230 HH2 TRP 29 HH TRP 29 7.441 -2.455 8.809
231 H CYS 30 H CYS 30 0.263 0.328 3.508
232 HA CYS 30 HA CYS 30 0.732 0.308 0.692
233 HB2 CYS 30 2HB CYS 30 -0.428 2.386 2.526
234 HB3 CYS 30 1HB CYS 30 -0.396 2.564 0.782
235 H LYS 31 H LYS 31 2.622 0.811 -0.141
236 HA LYS 31 HA LYS 31 4.260 2.842 1.195
237 HB2 LYS 31 2HB LYS 31 6.199 1.814 0.122
238 HB3 LYS 31 1HB LYS 31 5.301 0.622 1.033
239 HG2 LYS 31 2HG LYS 31 4.428 -0.362 -0.936
240 HG3 LYS 31 1HG LYS 31 5.005 0.977 -1.933
241 HD2 LYS 31 2HD LYS 31 7.320 0.384 -1.344
242 HD3 LYS 31 1HD LYS 31 6.720 -0.990 -0.420
243 HE2 LYS 31 2HE LYS 31 5.846 -2.018 -2.393
244 HE3 LYS 31 1HE LYS 31 6.186 -0.583 -3.355
245 HZ1 LYS 31 1HZ LYS 31 7.830 -2.341 -3.670
246 HZ2 LYS 31 2HZ LYS 31 8.255 -2.273 -2.050
247 HZ3 LYS 31 3HZ LYS 31 8.528 -0.945 -3.053
248 H TYR 32 H TYR 32 5.466 4.298 -0.194
249 HA TYR 32 HA TYR 32 3.830 5.223 -2.400
250 HB2 TYR 32 2HB TYR 32 6.217 6.448 -0.997
251 HB3 TYR 32 1HB TYR 32 5.332 7.205 -2.314
252 HD1 TYR 32 1HD TYR 32 3.056 8.023 -1.946
253 HD2 TYR 32 2HD TYR 32 5.340 6.452 1.269
254 HE1 TYR 32 1HE TYR 32 1.543 9.096 -0.380
255 HE2 TYR 32 2HE TYR 32 3.820 7.515 2.869
256 HH TYR 32 HH TYR 32 0.804 8.904 1.966
257 H VAL 33 H VAL 33 4.338 4.864 -4.460
258 HA VAL 33 HA VAL 33 6.974 3.743 -5.077
259 HB VAL 33 HB VAL 33 4.459 3.772 -6.777
260 HG11 VAL 33 1HG1 VAL 33 6.482 3.593 -8.120
261 HG12 VAL 33 2HG1 VAL 33 5.582 2.076 -8.142
262 HG13 VAL 33 3HG1 VAL 33 7.027 2.229 -7.144
263 HG21 VAL 33 1HG2 VAL 33 4.114 2.432 -4.793
264 HG22 VAL 33 2HG2 VAL 33 5.614 1.557 -5.098
265 HG23 VAL 33 3HG2 VAL 33 4.258 1.393 -6.212
266 H PHE 34 H PHE 34 4.727 6.283 -5.883
267 HA PHE 34 HA PHE 34 6.487 7.364 -7.903
268 HB2 PHE 34 2HB PHE 34 4.011 7.349 -8.212
269 HB3 PHE 34 1HB PHE 34 3.862 8.438 -6.843
270 HD1 PHE 34 1HD PHE 34 5.726 8.226 -10.075
271 HD2 PHE 34 2HD PHE 34 3.579 10.660 -7.330
272 HE1 PHE 34 1HE PHE 34 5.923 10.126 -11.618
273 HE2 PHE 34 2HE PHE 34 3.769 12.568 -8.862
274 HZ PHE 34 HZ PHE 34 4.943 12.307 -11.014
Start of MODEL 9
1 H1 ASP 1 1HT ASP 1 -3.972 11.229 4.494
2 H2 ASP 1 2HT ASP 1 -3.015 12.620 4.622
3 H3 ASP 1 3HT ASP 1 -2.398 11.200 3.928
4 HA ASP 1 HA ASP 1 -4.658 12.688 2.797
5 HB2 ASP 1 2HB ASP 1 -2.620 14.017 2.576
6 HB3 ASP 1 1HB ASP 1 -1.747 12.615 1.967
7 H CYS 2 H CYS 2 -5.785 11.478 1.403
8 HA CYS 2 HA CYS 2 -6.444 9.763 0.125
9 HB2 CYS 2 2HB CYS 2 -4.560 10.620 -1.252
10 HB3 CYS 2 1HB CYS 2 -3.464 9.537 -0.419
11 H LEU 3 H LEU 3 -5.324 7.196 -0.303
12 HA LEU 3 HA LEU 3 -5.134 6.192 2.443
13 HB2 LEU 3 2HB LEU 3 -6.177 4.860 -0.040
14 HB3 LEU 3 1HB LEU 3 -5.925 4.012 1.475
15 HG LEU 3 HG LEU 3 -7.903 6.239 0.966
16 HD11 LEU 3 1HD1 LEU 3 -8.284 3.288 1.431
17 HD12 LEU 3 2HD1 LEU 3 -8.544 4.153 -0.085
18 HD13 LEU 3 3HD1 LEU 3 -9.574 4.485 1.309
19 HD21 LEU 3 1HD2 LEU 3 -8.738 5.736 3.222
20 HD22 LEU 3 2HD2 LEU 3 -7.079 6.326 3.264
21 HD23 LEU 3 3HD2 LEU 3 -7.407 4.602 3.458
22 H GLY 4 H GLY 4 -3.522 4.841 2.955
23 HA2 GLY 4 2HA GLY 4 -1.783 3.327 1.863
24 HA3 GLY 4 1HA GLY 4 -1.295 4.816 1.056
25 H ALA 5 H ALA 5 0.099 6.087 2.030
26 HA ALA 5 HA ALA 5 1.596 6.899 3.523
27 HB1 ALA 5 1HB ALA 5 -0.818 6.860 5.323
28 HB2 ALA 5 2HB ALA 5 -0.467 8.084 4.099
29 HB3 ALA 5 3HB ALA 5 0.606 7.891 5.486
30 H PHE 6 H PHE 6 1.985 4.161 3.430
31 HA PHE 6 HA PHE 6 3.049 2.473 4.477
32 HB2 PHE 6 2HB PHE 6 3.543 4.526 6.653
33 HB3 PHE 6 1HB PHE 6 4.318 2.955 6.565
34 HD1 PHE 6 1HD PHE 6 4.356 6.365 5.475
35 HD2 PHE 6 2HD PHE 6 5.847 2.478 4.644
36 HE1 PHE 6 1HE PHE 6 6.157 7.358 4.124
37 HE2 PHE 6 2HE PHE 6 7.655 3.459 3.291
38 HZ PHE 6 HZ PHE 6 7.805 5.907 3.034
39 H ARG 7 H ARG 7 0.138 2.900 4.992
40 HA ARG 7 HA ARG 7 -0.055 1.720 7.650
41 HB2 ARG 7 2HB ARG 7 -2.264 2.586 5.765
42 HB3 ARG 7 1HB ARG 7 -2.513 1.928 7.372
43 HG2 ARG 7 2HG ARG 7 -1.130 4.542 6.728
44 HG3 ARG 7 1HG ARG 7 -2.777 4.371 7.323
45 HD2 ARG 7 2HD ARG 7 -1.346 4.996 9.172
46 HD3 ARG 7 1HD ARG 7 -1.844 3.325 9.398
47 HE ARG 7 HE ARG 7 0.590 3.442 8.007
48 HH11 ARG 7 1HH1 ARG 7 -0.662 3.820 11.298
49 HH12 ARG 7 2HH1 ARG 7 0.788 3.379 12.042
50 HH21 ARG 7 1HH2 ARG 7 2.527 2.777 9.012
51 HH22 ARG 7 2HH2 ARG 7 2.694 2.802 10.702
52 H LYS 8 H LYS 8 -0.963 -0.257 8.032
53 HA LYS 8 HA LYS 8 -0.114 -2.290 6.351
54 HB2 LYS 8 2HB LYS 8 -2.177 -2.390 8.561
55 HB3 LYS 8 1HB LYS 8 -1.446 -3.802 7.807
56 HG2 LYS 8 2HG LYS 8 0.739 -3.148 8.588
57 HG3 LYS 8 1HG LYS 8 0.081 -1.663 9.266
58 HD2 LYS 8 2HD LYS 8 -1.295 -2.992 10.809
59 HD3 LYS 8 1HD LYS 8 -0.618 -4.472 10.126
60 HE2 LYS 8 2HE LYS 8 1.598 -3.830 10.857
61 HE3 LYS 8 1HE LYS 8 0.987 -2.296 11.467
62 HZ1 LYS 8 1HZ LYS 8 -0.369 -3.536 13.051
63 HZ2 LYS 8 2HZ LYS 8 1.261 -3.851 13.256
64 HZ3 LYS 8 3HZ LYS 8 0.281 -4.993 12.508
65 H CYS 9 H CYS 9 -0.990 -3.425 4.780
66 HA CYS 9 HA CYS 9 -3.509 -2.362 3.702
67 HB2 CYS 9 2HB CYS 9 -2.473 -3.093 1.516
68 HB3 CYS 9 1HB CYS 9 -1.730 -1.709 2.325
69 H ILE 10 H ILE 10 -4.479 -3.880 2.061
70 HA ILE 10 HA ILE 10 -4.558 -6.622 3.075
71 HB ILE 10 HB ILE 10 -6.439 -5.172 1.163
72 HG12 ILE 10 2HG1 ILE 10 -6.873 -5.863 4.079
73 HG13 ILE 10 1HG1 ILE 10 -6.529 -4.250 3.466
74 HG21 ILE 10 1HG2 ILE 10 -6.737 -7.855 2.519
75 HG22 ILE 10 2HG2 ILE 10 -6.412 -7.588 0.806
76 HG23 ILE 10 3HG2 ILE 10 -7.951 -7.078 1.502
77 HD11 ILE 10 1HD1 ILE 10 -8.893 -4.534 3.951
78 HD12 ILE 10 2HD1 ILE 10 -8.970 -5.904 2.842
79 HD13 ILE 10 3HD1 ILE 10 -8.638 -4.287 2.223
80 HA PRO 11 HA PRO 11 -1.878 -7.024 -0.533
81 HB2 PRO 11 2HB PRO 11 -1.371 -9.708 -0.297
82 HB3 PRO 11 1HB PRO 11 -0.532 -8.461 0.627
83 HG2 PRO 11 2HG PRO 11 -2.816 -10.205 1.447
84 HG3 PRO 11 1HG PRO 11 -1.386 -9.725 2.378
85 HD2 PRO 11 2HD PRO 11 -3.800 -8.565 2.726
86 HD3 PRO 11 1HD PRO 11 -2.282 -7.667 2.926
87 H ASP 12 H ASP 12 -4.830 -8.798 -0.016
88 HA ASP 12 HA ASP 12 -4.795 -9.815 -2.750
89 HB2 ASP 12 2HB ASP 12 -5.745 -11.257 -1.014
90 HB3 ASP 12 1HB ASP 12 -6.926 -10.017 -0.610
91 H ASN 13 H ASN 13 -5.713 -6.989 -1.206
92 HA ASN 13 HA ASN 13 -6.771 -5.818 -3.546
93 HB2 ASN 13 2HB ASN 13 -8.839 -7.007 -2.911
94 HB3 ASN 13 1HB ASN 13 -8.746 -6.327 -1.294
95 HD21 ASN 13 1HD2 ASN 13 -8.124 -4.529 -4.336
96 HD22 ASN 13 2HD2 ASN 13 -9.478 -3.496 -4.135
97 H ASP 14 H ASP 14 -5.094 -4.457 -3.025
98 HA ASP 14 HA ASP 14 -5.217 -3.152 -0.498
99 HB2 ASP 14 2HB ASP 14 -3.145 -1.964 -1.176
100 HB3 ASP 14 1HB ASP 14 -3.071 -3.720 -1.152
101 H LYS 15 H LYS 15 -6.193 -1.536 0.002
102 HA LYS 15 HA LYS 15 -7.386 0.138 -2.070
103 HB2 LYS 15 2HB LYS 15 -8.005 -0.019 0.887
104 HB3 LYS 15 1HB LYS 15 -8.957 0.796 -0.343
105 HG2 LYS 15 2HG LYS 15 -9.607 -1.306 -1.320
106 HG3 LYS 15 1HG LYS 15 -8.499 -2.184 -0.265
107 HD2 LYS 15 2HD LYS 15 -9.785 -1.424 1.691
108 HD3 LYS 15 1HD LYS 15 -10.909 -0.591 0.621
109 HE2 LYS 15 2HE LYS 15 -10.378 -3.565 0.618
110 HE3 LYS 15 1HE LYS 15 -11.742 -2.783 1.409
111 HZ1 LYS 15 1HZ LYS 15 -11.186 -2.839 -1.516
112 HZ2 LYS 15 2HZ LYS 15 -12.452 -1.981 -0.806
113 HZ3 LYS 15 3HZ LYS 15 -12.405 -3.657 -0.711
114 H CYS 16 H CYS 16 -5.472 1.353 -2.466
115 HA CYS 16 HA CYS 16 -5.004 3.415 -0.571
116 HB2 CYS 16 2HB CYS 16 -2.862 1.619 -1.795
117 HB3 CYS 16 1HB CYS 16 -2.509 3.166 -1.021
118 H CYS 17 H CYS 17 -3.492 5.074 -2.018
119 HA CYS 17 HA CYS 17 -5.098 6.092 -3.954
120 HB2 CYS 17 2HB CYS 17 -2.088 6.218 -4.145
121 HB3 CYS 17 1HB CYS 17 -3.245 7.395 -4.755
122 H ARG 18 H ARG 18 -2.237 4.117 -4.738
123 HA ARG 18 HA ARG 18 -1.618 2.819 -6.443
124 HB2 ARG 18 2HB ARG 18 -3.426 1.504 -5.401
125 HB3 ARG 18 1HB ARG 18 -4.562 2.167 -6.560
126 HG2 ARG 18 2HG ARG 18 -3.417 1.073 -8.363
127 HG3 ARG 18 1HG ARG 18 -2.164 0.504 -7.261
128 HD2 ARG 18 2HD ARG 18 -3.858 -0.759 -6.009
129 HD3 ARG 18 1HD ARG 18 -5.077 -0.227 -7.166
130 HE ARG 18 HE ARG 18 -4.000 -1.472 -8.843
131 HH11 ARG 18 1HH1 ARG 18 -2.728 -2.174 -5.550
132 HH12 ARG 18 2HH1 ARG 18 -2.134 -3.676 -6.014
133 HH21 ARG 18 1HH2 ARG 18 -3.150 -3.546 -9.380
134 HH22 ARG 18 2HH2 ARG 18 -2.364 -4.496 -8.198
135 HA PRO 19 HA PRO 19 -0.811 1.871 -8.122
136 HB2 PRO 19 2HB PRO 19 0.873 2.217 -10.119
137 HB3 PRO 19 1HB PRO 19 -0.759 1.593 -10.417
138 HG2 PRO 19 2HG PRO 19 0.327 4.345 -10.825
139 HG3 PRO 19 1HG PRO 19 -0.734 3.397 -11.879
140 HD2 PRO 19 2HD PRO 19 -1.581 5.343 -10.087
141 HD3 PRO 19 1HD PRO 19 -2.610 4.061 -10.756
142 H ASN 20 H ASN 20 -0.550 5.108 -7.558
143 HA ASN 20 HA ASN 20 2.296 5.307 -7.378
144 HB2 ASN 20 2HB ASN 20 0.198 7.125 -6.162
145 HB3 ASN 20 1HB ASN 20 1.918 7.445 -6.202
146 HD21 ASN 20 1HD2 ASN 20 1.755 9.266 -7.355
147 HD22 ASN 20 2HD2 ASN 20 1.270 9.369 -9.012
148 H LEU 21 H LEU 21 -0.247 4.401 -5.220
149 HA LEU 21 HA LEU 21 1.831 3.573 -3.348
150 HB2 LEU 21 2HB LEU 21 -0.899 4.615 -2.491
151 HB3 LEU 21 1HB LEU 21 0.237 3.801 -1.473
152 HG LEU 21 HG LEU 21 1.919 5.609 -1.946
153 HD11 LEU 21 1HD1 LEU 21 0.918 6.656 -3.839
154 HD12 LEU 21 2HD1 LEU 21 1.104 7.803 -2.512
155 HD13 LEU 21 3HD1 LEU 21 -0.486 7.127 -2.879
156 HD21 LEU 21 1HD2 LEU 21 0.857 5.338 0.160
157 HD22 LEU 21 2HD2 LEU 21 -0.559 6.257 -0.380
158 HD23 LEU 21 3HD2 LEU 21 1.013 7.051 -0.212
159 H VAL 22 H VAL 22 1.863 1.550 -3.097
160 HA VAL 22 HA VAL 22 -0.542 -0.049 -3.637
161 HB VAL 22 HB VAL 22 2.256 -0.632 -4.719
162 HG11 VAL 22 1HG1 VAL 22 1.253 -2.527 -5.896
163 HG12 VAL 22 2HG1 VAL 22 -0.295 -2.187 -5.123
164 HG13 VAL 22 3HG1 VAL 22 1.083 -2.692 -4.147
165 HG21 VAL 22 1HG2 VAL 22 -0.255 0.125 -6.199
166 HG22 VAL 22 2HG2 VAL 22 1.267 -0.359 -6.944
167 HG23 VAL 22 3HG2 VAL 22 1.182 1.128 -5.997
168 H CYS 23 H CYS 23 -0.604 -1.965 -2.444
169 HA CYS 23 HA CYS 23 0.625 -2.008 0.073
170 HB2 CYS 23 2HB CYS 23 -1.450 -3.069 -0.362
171 HB3 CYS 23 1HB CYS 23 -0.720 -4.182 -1.518
172 H SER 24 H SER 24 2.646 -2.543 0.585
173 HA SER 24 HA SER 24 4.291 -4.016 -1.211
174 HB2 SER 24 2HB SER 24 5.244 -2.324 0.321
175 HB3 SER 24 1HB SER 24 4.646 -3.242 1.696
176 HG SER 24 HG SER 24 6.690 -3.898 -0.121
177 H ARG 25 H ARG 25 4.113 -6.182 -1.362
178 HA ARG 25 HA ARG 25 2.625 -7.622 0.631
179 HB2 ARG 25 2HB ARG 25 3.947 -8.461 -1.934
180 HB3 ARG 25 1HB ARG 25 3.417 -9.674 -0.785
181 HG2 ARG 25 2HG ARG 25 1.734 -9.409 -2.481
182 HG3 ARG 25 1HG ARG 25 1.115 -8.785 -0.964
183 HD2 ARG 25 2HD ARG 25 1.597 -6.488 -1.736
184 HD3 ARG 25 1HD ARG 25 2.191 -7.143 -3.264
185 HE ARG 25 HE ARG 25 -0.293 -8.199 -2.979
186 HH11 ARG 25 1HH1 ARG 25 0.963 -4.885 -3.267
187 HH12 ARG 25 2HH1 ARG 25 -0.527 -4.272 -3.856
188 HH21 ARG 25 1HH2 ARG 25 -2.294 -7.262 -3.740
189 HH22 ARG 25 2HH2 ARG 25 -2.371 -5.569 -4.050
190 H LEU 26 H LEU 26 5.721 -6.618 0.338
191 HA LEU 26 HA LEU 26 6.971 -8.795 1.809
192 HB2 LEU 26 2HB LEU 26 8.075 -6.077 1.122
193 HB3 LEU 26 1HB LEU 26 8.987 -7.480 1.630
194 HG LEU 26 HG LEU 26 7.528 -7.169 -0.989
195 HD11 LEU 26 1HD1 LEU 26 9.738 -7.077 -1.974
196 HD12 LEU 26 2HD1 LEU 26 10.467 -7.219 -0.378
197 HD13 LEU 26 3HD1 LEU 26 9.535 -5.782 -0.791
198 HD21 LEU 26 1HD2 LEU 26 7.531 -9.491 -0.253
199 HD22 LEU 26 2HD2 LEU 26 9.270 -9.417 0.023
200 HD23 LEU 26 3HD2 LEU 26 8.629 -9.267 -1.613
201 H HIS 27 H HIS 27 6.272 -5.346 2.248
202 HA HIS 27 HA HIS 27 6.990 -5.476 5.047
203 HB2 HIS 27 2HB HIS 27 6.056 -3.156 3.349
204 HB3 HIS 27 1HB HIS 27 6.537 -3.029 5.032
205 HD1 HIS 27 1HD HIS 27 8.992 -2.558 5.426
206 HD2 HIS 27 2HD HIS 27 8.226 -3.989 1.610
207 HE1 HIS 27 1HE HIS 27 11.160 -2.350 4.164
208 H ARG 28 H ARG 28 4.134 -5.596 3.136
209 HA ARG 28 HA ARG 28 2.021 -5.874 3.539
210 HB2 ARG 28 2HB ARG 28 2.932 -6.446 6.351
211 HB3 ARG 28 1HB ARG 28 1.234 -6.536 5.881
212 HG2 ARG 28 2HG ARG 28 1.780 -8.216 4.195
213 HG3 ARG 28 1HG ARG 28 3.482 -8.109 4.634
214 HD2 ARG 28 2HD ARG 28 1.264 -8.969 6.488
215 HD3 ARG 28 1HD ARG 28 2.326 -10.066 5.611
216 HE ARG 28 HE ARG 28 3.250 -8.131 7.617
217 HH11 ARG 28 1HH1 ARG 28 3.388 -11.403 6.175
218 HH12 ARG 28 2HH1 ARG 28 4.628 -11.948 7.186
219 HH21 ARG 28 1HH2 ARG 28 4.987 -8.927 9.023
220 HH22 ARG 28 2HH2 ARG 28 5.566 -10.504 8.843
221 H TRP 29 H TRP 29 3.314 -3.269 3.796
222 HA TRP 29 HA TRP 29 0.852 -1.958 4.575
223 HB2 TRP 29 2HB TRP 29 2.074 0.027 5.420
224 HB3 TRP 29 1HB TRP 29 2.379 -1.397 6.389
225 HD1 TRP 29 HD TRP 29 4.245 0.253 3.352
226 HE1 TRP 29 1HE TRP 29 6.754 0.368 3.968
227 HE3 TRP 29 3HE TRP 29 4.046 -1.855 8.001
228 HZ2 TRP 29 2HZ TRP 29 8.405 -0.315 6.138
229 HZ3 TRP 29 3HZ TRP 29 6.125 -2.076 9.287
230 HH2 TRP 29 HH TRP 29 8.261 -1.320 8.372
231 H CYS 30 H CYS 30 0.466 0.034 3.445
232 HA CYS 30 HA CYS 30 1.233 -0.209 0.701
233 HB2 CYS 30 2HB CYS 30 -0.518 1.620 2.217
234 HB3 CYS 30 1HB CYS 30 -0.013 2.132 0.621
235 H LYS 31 H LYS 31 2.901 0.457 -0.211
236 HA LYS 31 HA LYS 31 4.583 2.422 1.142
237 HB2 LYS 31 2HB LYS 31 6.418 1.458 -0.143
238 HB3 LYS 31 1HB LYS 31 5.587 0.220 0.776
239 HG2 LYS 31 2HG LYS 31 4.443 -0.546 -1.229
240 HG3 LYS 31 1HG LYS 31 5.187 0.746 -2.168
241 HD2 LYS 31 2HD LYS 31 6.708 -1.452 -0.748
242 HD3 LYS 31 1HD LYS 31 6.311 -1.449 -2.466
243 HE2 LYS 31 2HE LYS 31 7.637 0.591 -2.753
244 HE3 LYS 31 1HE LYS 31 8.001 0.600 -1.031
245 HZ1 LYS 31 1HZ LYS 31 9.800 -0.326 -2.318
246 HZ2 LYS 31 2HZ LYS 31 8.808 -1.529 -2.940
247 HZ3 LYS 31 3HZ LYS 31 9.163 -1.494 -1.294
248 H TYR 32 H TYR 32 5.724 3.919 -0.227
249 HA TYR 32 HA TYR 32 4.055 4.957 -2.322
250 HB2 TYR 32 2HB TYR 32 6.591 5.994 -1.043
251 HB3 TYR 32 1HB TYR 32 5.756 6.811 -2.360
252 HD1 TYR 32 1HD TYR 32 5.343 5.658 1.148
253 HD2 TYR 32 2HD TYR 32 3.939 8.234 -1.929
254 HE1 TYR 32 1HE TYR 32 3.915 6.795 2.765
255 HE2 TYR 32 2HE TYR 32 2.498 9.384 -0.317
256 HH TYR 32 HH TYR 32 1.499 9.067 1.845
257 H VAL 33 H VAL 33 4.227 4.250 -4.224
258 HA VAL 33 HA VAL 33 6.670 3.041 -5.240
259 HB VAL 33 HB VAL 33 3.899 3.272 -6.481
260 HG11 VAL 33 1HG1 VAL 33 6.228 1.532 -7.271
261 HG12 VAL 33 2HG1 VAL 33 5.616 2.927 -8.162
262 HG13 VAL 33 3HG1 VAL 33 4.619 1.483 -7.989
263 HG21 VAL 33 1HG2 VAL 33 3.805 1.958 -4.443
264 HG22 VAL 33 2HG2 VAL 33 5.144 0.957 -5.003
265 HG23 VAL 33 3HG2 VAL 33 3.599 0.916 -5.852
266 H PHE 34 H PHE 34 4.564 5.809 -5.539
267 HA PHE 34 HA PHE 34 6.581 7.286 -6.927
268 HB2 PHE 34 2HB PHE 34 5.183 6.129 -8.728
269 HB3 PHE 34 1HB PHE 34 3.806 7.044 -8.140
270 HD1 PHE 34 1HD PHE 34 7.142 7.350 -9.705
271 HD2 PHE 34 2HD PHE 34 3.453 9.268 -8.840
272 HE1 PHE 34 1HE PHE 34 7.750 9.186 -11.221
273 HE2 PHE 34 2HE PHE 34 4.050 11.118 -10.350
274 HZ PHE 34 HZ PHE 34 6.206 11.078 -11.547
Start of MODEL 10
1 H1 ASP 1 1HT ASP 1 -8.927 11.662 1.930
2 H2 ASP 1 2HT ASP 1 -9.894 11.523 3.302
3 H3 ASP 1 3HT ASP 1 -10.092 10.456 1.985
4 HA ASP 1 HA ASP 1 -7.620 10.670 3.551
5 HB2 ASP 1 2HB ASP 1 -9.514 9.731 4.914
6 HB3 ASP 1 1HB ASP 1 -9.736 8.494 3.685
7 H CYS 2 H CYS 2 -6.010 9.379 2.797
8 HA CYS 2 HA CYS 2 -6.549 7.751 0.450
9 HB2 CYS 2 2HB CYS 2 -5.708 9.948 -0.334
10 HB3 CYS 2 1HB CYS 2 -4.323 9.780 0.740
11 H LEU 3 H LEU 3 -5.734 5.804 0.812
12 HA LEU 3 HA LEU 3 -4.151 5.278 3.106
13 HB2 LEU 3 2HB LEU 3 -4.836 3.571 0.763
14 HB3 LEU 3 1HB LEU 3 -4.029 2.968 2.188
15 HG LEU 3 HG LEU 3 -6.832 4.130 2.203
16 HD11 LEU 3 1HD1 LEU 3 -6.760 2.012 0.988
17 HD12 LEU 3 2HD1 LEU 3 -7.592 1.844 2.533
18 HD13 LEU 3 3HD1 LEU 3 -5.938 1.257 2.354
19 HD21 LEU 3 1HD2 LEU 3 -5.247 2.685 4.323
20 HD22 LEU 3 2HD2 LEU 3 -6.934 3.171 4.456
21 HD23 LEU 3 3HD2 LEU 3 -5.675 4.396 4.329
22 H GLY 4 H GLY 4 -2.209 5.381 3.299
23 HA2 GLY 4 2HA GLY 4 -0.146 4.908 1.427
24 HA3 GLY 4 1HA GLY 4 -0.439 6.637 1.609
25 H ALA 5 H ALA 5 1.571 6.939 2.657
26 HA ALA 5 HA ALA 5 2.956 7.203 4.417
27 HB1 ALA 5 1HB ALA 5 1.023 8.554 5.078
28 HB2 ALA 5 2HB ALA 5 1.926 7.918 6.456
29 HB3 ALA 5 3HB ALA 5 0.393 7.177 5.990
30 H PHE 6 H PHE 6 2.447 4.393 3.773
31 HA PHE 6 HA PHE 6 3.068 2.358 4.448
32 HB2 PHE 6 2HB PHE 6 4.352 3.837 6.762
33 HB3 PHE 6 1HB PHE 6 4.647 2.147 6.366
34 HD1 PHE 6 1HD PHE 6 5.227 5.630 5.371
35 HD2 PHE 6 2HD PHE 6 6.020 1.546 4.483
36 HE1 PHE 6 1HE PHE 6 7.039 6.317 3.853
37 HE2 PHE 6 2HE PHE 6 7.834 2.229 2.963
38 HZ PHE 6 HZ PHE 6 8.342 4.611 2.646
39 H ARG 7 H ARG 7 0.527 3.544 5.343
40 HA ARG 7 HA ARG 7 -0.067 2.399 7.912
41 HB2 ARG 7 2HB ARG 7 -1.938 3.363 5.730
42 HB3 ARG 7 1HB ARG 7 -2.411 2.961 7.370
43 HG2 ARG 7 2HG ARG 7 -0.550 5.203 6.597
44 HG3 ARG 7 1HG ARG 7 -2.261 5.383 6.977
45 HD2 ARG 7 2HD ARG 7 -0.142 4.340 8.856
46 HD3 ARG 7 1HD ARG 7 -0.814 5.968 8.871
47 HE ARG 7 HE ARG 7 -2.909 4.122 9.042
48 HH11 ARG 7 1HH1 ARG 7 -0.245 5.305 11.022
49 HH12 ARG 7 2HH1 ARG 7 -1.024 5.020 12.499
50 HH21 ARG 7 1HH2 ARG 7 -3.965 3.730 10.999
51 HH22 ARG 7 2HH2 ARG 7 -3.236 4.070 12.503
52 H LYS 8 H LYS 8 -1.467 0.618 8.267
53 HA LYS 8 HA LYS 8 -0.968 -1.646 6.676
54 HB2 LYS 8 2HB LYS 8 -3.004 -1.185 8.845
55 HB3 LYS 8 1HB LYS 8 -2.776 -2.730 8.045
56 HG2 LYS 8 2HG LYS 8 -0.452 -2.776 8.854
57 HG3 LYS 8 1HG LYS 8 -0.723 -1.245 9.666
58 HD2 LYS 8 2HD LYS 8 -0.914 -3.160 11.208
59 HD3 LYS 8 1HD LYS 8 -2.405 -2.231 11.094
60 HE2 LYS 8 2HE LYS 8 -2.842 -4.645 11.138
61 HE3 LYS 8 1HE LYS 8 -3.371 -3.940 9.621
62 HZ1 LYS 8 1HZ LYS 8 -1.394 -4.817 8.561
63 HZ2 LYS 8 2HZ LYS 8 -2.204 -6.070 9.316
64 HZ3 LYS 8 3HZ LYS 8 -0.819 -5.418 10.012
65 H CYS 9 H CYS 9 -2.086 -2.659 5.166
66 HA CYS 9 HA CYS 9 -4.782 -1.901 4.494
67 HB2 CYS 9 2HB CYS 9 -3.974 -1.656 2.066
68 HB3 CYS 9 1HB CYS 9 -3.653 -0.309 3.158
69 H ILE 10 H ILE 10 -5.455 -3.400 2.587
70 HA ILE 10 HA ILE 10 -4.711 -6.064 3.284
71 HB ILE 10 HB ILE 10 -6.459 -5.110 0.978
72 HG12 ILE 10 2HG1 ILE 10 -7.256 -6.021 3.761
73 HG13 ILE 10 1HG1 ILE 10 -7.288 -4.357 3.191
74 HG21 ILE 10 1HG2 ILE 10 -6.243 -7.818 2.308
75 HG22 ILE 10 2HG2 ILE 10 -5.663 -7.410 0.693
76 HG23 ILE 10 3HG2 ILE 10 -7.392 -7.388 1.043
77 HD11 ILE 10 1HD1 ILE 10 -8.993 -4.970 1.540
78 HD12 ILE 10 2HD1 ILE 10 -9.507 -5.330 3.188
79 HD13 ILE 10 3HD1 ILE 10 -8.956 -6.630 2.131
80 HA PRO 11 HA PRO 11 -1.279 -5.751 0.385
81 HB2 PRO 11 2HB PRO 11 -0.554 -8.452 1.121
82 HB3 PRO 11 1HB PRO 11 0.261 -6.937 1.507
83 HG2 PRO 11 2HG PRO 11 -1.021 -8.473 3.353
84 HG3 PRO 11 1HG PRO 11 -0.827 -6.721 3.507
85 HD2 PRO 11 2HD PRO 11 -3.178 -8.308 2.637
86 HD3 PRO 11 1HD PRO 11 -3.073 -6.851 3.659
87 H ASP 12 H ASP 12 -3.248 -8.749 0.404
88 HA ASP 12 HA ASP 12 -2.189 -9.427 -2.216
89 HB2 ASP 12 2HB ASP 12 -2.605 -11.193 -0.511
90 HB3 ASP 12 1HB ASP 12 -4.332 -10.887 -0.665
91 H ASN 13 H ASN 13 -4.682 -7.664 -1.027
92 HA ASN 13 HA ASN 13 -5.724 -7.271 -3.705
93 HB2 ASN 13 2HB ASN 13 -7.397 -8.678 -2.400
94 HB3 ASN 13 1HB ASN 13 -7.481 -7.379 -1.222
95 HD21 ASN 13 1HD2 ASN 13 -8.285 -8.353 -4.448
96 HD22 ASN 13 2HD2 ASN 13 -9.449 -7.120 -4.755
97 H ASP 14 H ASP 14 -4.293 -5.631 -3.675
98 HA ASP 14 HA ASP 14 -3.738 -4.044 -1.496
99 HB2 ASP 14 2HB ASP 14 -2.498 -2.568 -3.041
100 HB3 ASP 14 1HB ASP 14 -2.099 -4.272 -3.216
101 H LYS 15 H LYS 15 -4.727 -2.690 -0.532
102 HA LYS 15 HA LYS 15 -6.685 -0.965 -1.850
103 HB2 LYS 15 2HB LYS 15 -6.337 -1.683 1.074
104 HB3 LYS 15 1HB LYS 15 -7.511 -0.532 0.463
105 HG2 LYS 15 2HG LYS 15 -7.438 -3.461 -0.226
106 HG3 LYS 15 1HG LYS 15 -8.486 -2.724 0.988
107 HD2 LYS 15 2HD LYS 15 -9.489 -1.322 -0.775
108 HD3 LYS 15 1HD LYS 15 -8.474 -2.125 -1.973
109 HE2 LYS 15 2HE LYS 15 -9.501 -4.257 -1.451
110 HE3 LYS 15 1HE LYS 15 -10.462 -3.494 -0.188
111 HZ1 LYS 15 1HZ LYS 15 -11.723 -3.828 -2.217
112 HZ2 LYS 15 2HZ LYS 15 -10.636 -2.849 -3.083
113 HZ3 LYS 15 3HZ LYS 15 -11.578 -2.188 -1.854
114 H CYS 16 H CYS 16 -5.337 0.641 -2.609
115 HA CYS 16 HA CYS 16 -4.228 2.356 -0.671
116 HB2 CYS 16 2HB CYS 16 -2.601 0.413 -1.600
117 HB3 CYS 16 1HB CYS 16 -2.499 1.538 -2.950
118 H CYS 17 H CYS 17 -3.813 4.436 -1.993
119 HA CYS 17 HA CYS 17 -5.941 4.827 -3.695
120 HB2 CYS 17 2HB CYS 17 -3.469 6.530 -3.394
121 HB3 CYS 17 1HB CYS 17 -4.915 7.022 -4.268
122 H ARG 18 H ARG 18 -2.640 3.988 -4.636
123 HA ARG 18 HA ARG 18 -1.838 2.925 -6.420
124 HB2 ARG 18 2HB ARG 18 -3.675 1.383 -5.933
125 HB3 ARG 18 1HB ARG 18 -4.753 2.309 -6.947
126 HG2 ARG 18 2HG ARG 18 -3.529 1.604 -8.931
127 HG3 ARG 18 1HG ARG 18 -2.343 0.775 -7.917
128 HD2 ARG 18 2HD ARG 18 -4.067 -0.706 -7.067
129 HD3 ARG 18 1HD ARG 18 -5.275 0.115 -8.050
130 HE ARG 18 HE ARG 18 -3.829 -0.640 -9.993
131 HH11 ARG 18 1HH1 ARG 18 -3.831 -2.540 -6.972
132 HH12 ARG 18 2HH1 ARG 18 -3.772 -4.013 -7.773
133 HH21 ARG 18 1HH2 ARG 18 -3.700 -2.746 -11.051
134 HH22 ARG 18 2HH2 ARG 18 -3.689 -4.151 -10.089
135 HA PRO 19 HA PRO 19 -1.020 2.177 -8.058
136 HB2 PRO 19 2HB PRO 19 0.478 2.264 -10.239
137 HB3 PRO 19 1HB PRO 19 -1.220 1.788 -10.325
138 HG2 PRO 19 2HG PRO 19 0.071 4.303 -11.193
139 HG3 PRO 19 1HG PRO 19 -1.400 3.525 -11.798
140 HD2 PRO 19 2HD PRO 19 -1.180 5.684 -9.905
141 HD3 PRO 19 1HD PRO 19 -2.658 4.903 -10.496
142 H ASN 20 H ASN 20 -0.334 5.358 -7.710
143 HA ASN 20 HA ASN 20 2.549 5.094 -7.648
144 HB2 ASN 20 2HB ASN 20 0.858 7.414 -6.654
145 HB3 ASN 20 1HB ASN 20 2.595 7.432 -6.927
146 HD21 ASN 20 1HD2 ASN 20 3.377 7.444 -9.108
147 HD22 ASN 20 2HD2 ASN 20 2.333 7.854 -10.406
148 H LEU 21 H LEU 21 -0.136 4.895 -5.571
149 HA LEU 21 HA LEU 21 1.652 4.224 -3.347
150 HB2 LEU 21 2HB LEU 21 -1.355 4.646 -3.163
151 HB3 LEU 21 1HB LEU 21 -0.206 4.439 -1.891
152 HG LEU 21 HG LEU 21 -0.220 6.874 -3.655
153 HD11 LEU 21 1HD1 LEU 21 -0.909 6.531 -0.754
154 HD12 LEU 21 2HD1 LEU 21 -2.061 6.840 -2.048
155 HD13 LEU 21 3HD1 LEU 21 -0.848 8.054 -1.635
156 HD21 LEU 21 1HD2 LEU 21 2.019 6.282 -3.021
157 HD22 LEU 21 2HD2 LEU 21 1.531 6.068 -1.350
158 HD23 LEU 21 3HD2 LEU 21 1.491 7.674 -2.078
159 H VAL 22 H VAL 22 1.967 2.195 -3.065
160 HA VAL 22 HA VAL 22 -0.099 0.361 -4.000
161 HB VAL 22 HB VAL 22 1.682 -1.273 -4.636
162 HG11 VAL 22 1HG1 VAL 22 2.296 -0.215 -6.752
163 HG12 VAL 22 2HG1 VAL 22 1.817 1.352 -6.105
164 HG13 VAL 22 3HG1 VAL 22 0.606 0.095 -6.347
165 HG21 VAL 22 1HG2 VAL 22 3.976 -0.473 -4.995
166 HG22 VAL 22 2HG2 VAL 22 3.521 -0.401 -3.292
167 HG23 VAL 22 3HG2 VAL 22 3.548 1.073 -4.261
168 H CYS 23 H CYS 23 -0.663 -1.196 -2.655
169 HA CYS 23 HA CYS 23 0.549 -1.178 -0.026
170 HB2 CYS 23 2HB CYS 23 -1.956 -1.260 -0.318
171 HB3 CYS 23 1HB CYS 23 -1.763 -2.821 -1.108
172 H SER 24 H SER 24 2.359 -2.309 0.136
173 HA SER 24 HA SER 24 3.083 -4.245 -1.765
174 HB2 SER 24 2HB SER 24 4.749 -2.977 -0.578
175 HB3 SER 24 1HB SER 24 4.196 -3.648 0.957
176 HG SER 24 HG SER 24 5.594 -4.909 -1.151
177 H ARG 25 H ARG 25 2.807 -6.353 -1.848
178 HA ARG 25 HA ARG 25 0.922 -7.728 -0.403
179 HB2 ARG 25 2HB ARG 25 1.573 -8.208 -2.663
180 HB3 ARG 25 1HB ARG 25 3.208 -8.581 -2.141
181 HG2 ARG 25 2HG ARG 25 2.279 -10.402 -0.805
182 HG3 ARG 25 1HG ARG 25 0.712 -10.092 -1.568
183 HD2 ARG 25 2HD ARG 25 1.982 -11.901 -2.719
184 HD3 ARG 25 1HD ARG 25 1.641 -10.506 -3.752
185 HE ARG 25 HE ARG 25 3.913 -9.775 -3.373
186 HH11 ARG 25 1HH1 ARG 25 3.265 -13.203 -2.704
187 HH12 ARG 25 2HH1 ARG 25 4.849 -13.701 -3.021
188 HH21 ARG 25 1HH2 ARG 25 6.121 -10.476 -3.735
189 HH22 ARG 25 2HH2 ARG 25 6.513 -12.114 -3.584
190 H LEU 26 H LEU 26 4.416 -7.646 -0.176
191 HA LEU 26 HA LEU 26 4.407 -9.592 1.983
192 HB2 LEU 26 2HB LEU 26 6.875 -9.449 1.935
193 HB3 LEU 26 1HB LEU 26 6.150 -10.008 0.438
194 HG LEU 26 HG LEU 26 6.952 -7.139 0.751
195 HD11 LEU 26 1HD1 LEU 26 8.766 -9.438 -0.028
196 HD12 LEU 26 2HD1 LEU 26 8.911 -8.459 1.430
197 HD13 LEU 26 3HD1 LEU 26 9.174 -7.728 -0.151
198 HD21 LEU 26 1HD2 LEU 26 5.675 -7.763 -1.252
199 HD22 LEU 26 2HD2 LEU 26 6.832 -9.039 -1.598
200 HD23 LEU 26 3HD2 LEU 26 7.334 -7.356 -1.682
201 H HIS 27 H HIS 27 5.197 -6.189 1.554
202 HA HIS 27 HA HIS 27 6.030 -6.004 4.301
203 HB2 HIS 27 2HB HIS 27 5.536 -3.738 2.339
204 HB3 HIS 27 1HB HIS 27 6.223 -3.555 3.942
205 HD1 HIS 27 1HD HIS 27 8.752 -4.323 4.256
206 HD2 HIS 27 2HD HIS 27 7.226 -4.779 0.409
207 HE1 HIS 27 1HE HIS 27 10.719 -4.764 2.778
208 H ARG 28 H ARG 28 3.064 -5.724 2.618
209 HA ARG 28 HA ARG 28 0.959 -5.715 3.314
210 HB2 ARG 28 2HB ARG 28 2.182 -5.975 6.056
211 HB3 ARG 28 1HB ARG 28 0.467 -6.144 5.709
212 HG2 ARG 28 2HG ARG 28 0.865 -8.110 4.408
213 HG3 ARG 28 1HG ARG 28 2.612 -7.871 4.505
214 HD2 ARG 28 2HD ARG 28 0.818 -8.325 6.877
215 HD3 ARG 28 1HD ARG 28 1.747 -9.589 6.070
216 HE ARG 28 HE ARG 28 3.715 -8.035 6.607
217 HH11 ARG 28 1HH1 ARG 28 0.920 -8.338 8.764
218 HH12 ARG 28 2HH1 ARG 28 1.838 -8.220 10.187
219 HH21 ARG 28 1HH2 ARG 28 4.952 -7.852 8.556
220 HH22 ARG 28 2HH2 ARG 28 4.208 -7.941 10.074
221 H TRP 29 H TRP 29 2.496 -3.213 3.071
222 HA TRP 29 HA TRP 29 0.488 -1.541 4.267
223 HB2 TRP 29 2HB TRP 29 2.104 0.101 5.149
224 HB3 TRP 29 1HB TRP 29 2.173 -1.425 6.000
225 HD1 TRP 29 HD TRP 29 4.136 -0.080 2.878
226 HE1 TRP 29 1HE TRP 29 6.662 -0.426 3.331
227 HE3 TRP 29 3HE TRP 29 3.872 -2.118 7.545
228 HZ2 TRP 29 2HZ TRP 29 8.299 -1.390 5.386
229 HZ3 TRP 29 3HZ TRP 29 5.968 -2.709 8.691
230 HH2 TRP 29 HH TRP 29 8.128 -2.347 7.625
231 H CYS 30 H CYS 30 0.433 0.571 3.419
232 HA CYS 30 HA CYS 30 0.932 0.678 0.619
233 HB2 CYS 30 2HB CYS 30 -0.246 2.568 2.591
234 HB3 CYS 30 1HB CYS 30 0.252 3.112 0.988
235 H LYS 31 H LYS 31 2.734 1.081 -0.267
236 HA LYS 31 HA LYS 31 4.576 2.903 1.089
237 HB2 LYS 31 2HB LYS 31 6.417 1.599 0.140
238 HB3 LYS 31 1HB LYS 31 5.329 0.541 0.994
239 HG2 LYS 31 2HG LYS 31 4.344 -0.160 -1.116
240 HG3 LYS 31 1HG LYS 31 5.461 0.897 -1.982
241 HD2 LYS 31 2HD LYS 31 7.346 -0.338 -0.930
242 HD3 LYS 31 1HD LYS 31 6.176 -1.457 -0.234
243 HE2 LYS 31 2HE LYS 31 7.039 -2.451 -2.218
244 HE3 LYS 31 1HE LYS 31 5.388 -1.941 -2.559
245 HZ1 LYS 31 1HZ LYS 31 6.843 -1.361 -4.373
246 HZ2 LYS 31 2HZ LYS 31 7.868 -0.520 -3.358
247 HZ3 LYS 31 3HZ LYS 31 6.339 0.075 -3.649
248 H TYR 32 H TYR 32 5.970 4.157 -0.381
249 HA TYR 32 HA TYR 32 4.293 5.236 -2.499
250 HB2 TYR 32 2HB TYR 32 6.790 6.311 -1.161
251 HB3 TYR 32 1HB TYR 32 5.881 7.153 -2.402
252 HD1 TYR 32 1HD TYR 32 5.919 6.119 1.129
253 HD2 TYR 32 2HD TYR 32 3.773 8.215 -1.873
254 HE1 TYR 32 1HE TYR 32 4.523 7.158 2.853
255 HE2 TYR 32 2HE TYR 32 2.374 9.257 -0.180
256 HH TYR 32 HH TYR 32 3.134 9.263 3.051
257 H VAL 33 H VAL 33 4.707 4.621 -4.525
258 HA VAL 33 HA VAL 33 7.440 3.791 -5.071
259 HB VAL 33 HB VAL 33 5.985 1.869 -5.343
260 HG11 VAL 33 1HG1 VAL 33 4.190 1.765 -6.979
261 HG12 VAL 33 2HG1 VAL 33 4.427 3.478 -7.336
262 HG13 VAL 33 3HG1 VAL 33 3.875 2.979 -5.737
263 HG21 VAL 33 1HG2 VAL 33 7.829 1.979 -6.881
264 HG22 VAL 33 2HG2 VAL 33 6.879 2.943 -8.009
265 HG23 VAL 33 3HG2 VAL 33 6.439 1.264 -7.695
266 H PHE 34 H PHE 34 8.421 5.438 -5.778
267 HA PHE 34 HA PHE 34 7.447 6.736 -8.201
268 HB2 PHE 34 2HB PHE 34 8.583 8.153 -5.774
269 HB3 PHE 34 1HB PHE 34 8.363 8.911 -7.342
270 HD1 PHE 34 1HD PHE 34 6.091 9.349 -8.182
271 HD2 PHE 34 2HD PHE 34 6.773 7.810 -4.285
272 HE1 PHE 34 1HE PHE 34 3.809 9.988 -7.546
273 HE2 PHE 34 2HE PHE 34 4.487 8.440 -3.636
274 HZ PHE 34 HZ PHE 34 2.998 9.533 -5.263
Start of MODEL 11
1 H1 ASP 1 1HT ASP 1 -5.777 12.775 2.801
2 H2 ASP 1 2HT ASP 1 -6.951 13.380 3.863
3 H3 ASP 1 3HT ASP 1 -7.299 13.144 2.222
4 HA ASP 1 HA ASP 1 -6.612 10.988 4.075
5 HB2 ASP 1 2HB ASP 1 -8.774 11.800 4.684
6 HB3 ASP 1 1HB ASP 1 -9.269 11.940 3.003
7 H CYS 2 H CYS 2 -5.655 9.432 2.990
8 HA CYS 2 HA CYS 2 -6.794 8.347 0.646
9 HB2 CYS 2 2HB CYS 2 -5.311 10.327 -0.158
10 HB3 CYS 2 1HB CYS 2 -3.948 9.386 0.429
11 H LEU 3 H LEU 3 -5.759 6.244 0.302
12 HA LEU 3 HA LEU 3 -4.852 5.160 2.813
13 HB2 LEU 3 2HB LEU 3 -5.165 3.917 0.175
14 HB3 LEU 3 1HB LEU 3 -5.015 3.025 1.674
15 HG LEU 3 HG LEU 3 -7.380 4.798 0.963
16 HD11 LEU 3 1HD1 LEU 3 -8.652 2.734 0.821
17 HD12 LEU 3 2HD1 LEU 3 -7.180 1.807 1.118
18 HD13 LEU 3 3HD1 LEU 3 -7.342 2.752 -0.363
19 HD21 LEU 3 1HD2 LEU 3 -8.404 3.890 2.963
20 HD22 LEU 3 2HD2 LEU 3 -6.896 4.721 3.359
21 HD23 LEU 3 3HD2 LEU 3 -6.945 2.961 3.302
22 H GLY 4 H GLY 4 -2.935 5.744 3.152
23 HA2 GLY 4 2HA GLY 4 -0.741 4.596 1.725
24 HA3 GLY 4 1HA GLY 4 -0.820 6.346 1.522
25 H ALA 5 H ALA 5 0.804 7.119 2.698
26 HA ALA 5 HA ALA 5 2.170 7.615 4.402
27 HB1 ALA 5 1HB ALA 5 1.165 8.058 6.523
28 HB2 ALA 5 2HB ALA 5 -0.272 7.119 6.096
29 HB3 ALA 5 3HB ALA 5 0.099 8.624 5.234
30 H PHE 6 H PHE 6 2.084 4.813 3.642
31 HA PHE 6 HA PHE 6 2.982 2.828 4.219
32 HB2 PHE 6 2HB PHE 6 4.180 4.366 6.538
33 HB3 PHE 6 1HB PHE 6 4.708 2.789 5.975
34 HD1 PHE 6 1HD PHE 6 4.841 6.366 5.469
35 HD2 PHE 6 2HD PHE 6 5.871 2.586 3.815
36 HE1 PHE 6 1HE PHE 6 6.471 7.467 3.984
37 HE2 PHE 6 2HE PHE 6 7.490 3.674 2.318
38 HZ PHE 6 HZ PHE 6 7.800 6.117 2.403
39 H ARG 7 H ARG 7 0.379 3.295 5.007
40 HA ARG 7 HA ARG 7 0.214 2.001 7.614
41 HB2 ARG 7 2HB ARG 7 -1.956 3.200 5.880
42 HB3 ARG 7 1HB ARG 7 -2.237 2.405 7.419
43 HG2 ARG 7 2HG ARG 7 -0.606 4.917 7.025
44 HG3 ARG 7 1HG ARG 7 -2.274 4.866 7.585
45 HD2 ARG 7 2HD ARG 7 -0.852 5.140 9.497
46 HD3 ARG 7 1HD ARG 7 -1.495 3.503 9.541
47 HE ARG 7 HE ARG 7 1.023 3.564 8.243
48 HH11 ARG 7 1HH1 ARG 7 -0.369 3.719 11.492
49 HH12 ARG 7 2HH1 ARG 7 0.992 3.058 12.259
50 HH21 ARG 7 1HH2 ARG 7 2.853 2.631 9.271
51 HH22 ARG 7 2HH2 ARG 7 2.881 2.408 10.946
52 H LYS 8 H LYS 8 -1.257 0.209 7.812
53 HA LYS 8 HA LYS 8 -0.477 -1.930 6.263
54 HB2 LYS 8 2HB LYS 8 -2.271 -3.209 7.323
55 HB3 LYS 8 1HB LYS 8 -1.410 -2.212 8.483
56 HG2 LYS 8 2HG LYS 8 -3.202 -0.625 8.558
57 HG3 LYS 8 1HG LYS 8 -4.038 -1.446 7.239
58 HD2 LYS 8 2HD LYS 8 -4.305 -3.430 8.649
59 HD3 LYS 8 1HD LYS 8 -3.469 -2.605 9.966
60 HE2 LYS 8 2HE LYS 8 -5.205 -0.923 10.056
61 HE3 LYS 8 1HE LYS 8 -6.013 -1.647 8.667
62 HZ1 LYS 8 1HZ LYS 8 -5.613 -3.008 11.281
63 HZ2 LYS 8 2HZ LYS 8 -6.475 -3.606 9.973
64 HZ3 LYS 8 3HZ LYS 8 -7.025 -2.254 10.784
65 H CYS 9 H CYS 9 -1.362 -3.118 4.671
66 HA CYS 9 HA CYS 9 -3.744 -2.061 3.326
67 HB2 CYS 9 2HB CYS 9 -2.631 -2.437 1.172
68 HB3 CYS 9 1HB CYS 9 -1.758 -1.253 2.143
69 H ILE 10 H ILE 10 -4.772 -3.692 1.980
70 HA ILE 10 HA ILE 10 -4.358 -6.411 2.936
71 HB ILE 10 HB ILE 10 -6.571 -5.191 1.236
72 HG12 ILE 10 2HG1 ILE 10 -6.600 -5.987 4.160
73 HG13 ILE 10 1HG1 ILE 10 -6.504 -4.337 3.560
74 HG21 ILE 10 1HG2 ILE 10 -6.305 -7.579 0.793
75 HG22 ILE 10 2HG2 ILE 10 -7.808 -7.268 1.658
76 HG23 ILE 10 3HG2 ILE 10 -6.416 -7.924 2.520
77 HD11 ILE 10 1HD1 ILE 10 -8.749 -4.885 4.294
78 HD12 ILE 10 2HD1 ILE 10 -8.800 -6.239 3.163
79 HD13 ILE 10 3HD1 ILE 10 -8.718 -4.587 2.554
80 HA PRO 11 HA PRO 11 -2.369 -6.872 -1.081
81 HB2 PRO 11 2HB PRO 11 -1.549 -9.502 -0.712
82 HB3 PRO 11 1HB PRO 11 -0.659 -8.072 -0.202
83 HG2 PRO 11 2HG PRO 11 -1.954 -10.038 1.459
84 HG3 PRO 11 1HG PRO 11 -1.006 -8.641 1.952
85 HD2 PRO 11 2HD PRO 11 -3.916 -8.983 1.895
86 HD3 PRO 11 1HD PRO 11 -2.937 -7.757 2.725
87 H ASP 12 H ASP 12 -4.906 -8.890 0.078
88 HA ASP 12 HA ASP 12 -5.271 -10.456 -2.334
89 HB2 ASP 12 2HB ASP 12 -7.114 -10.068 0.041
90 HB3 ASP 12 1HB ASP 12 -7.353 -11.244 -1.241
91 H ASN 13 H ASN 13 -6.025 -7.414 -1.316
92 HA ASN 13 HA ASN 13 -7.343 -6.666 -3.689
93 HB2 ASN 13 2HB ASN 13 -9.323 -7.543 -2.398
94 HB3 ASN 13 1HB ASN 13 -8.907 -6.455 -1.080
95 HD21 ASN 13 1HD2 ASN 13 -10.298 -6.717 -4.252
96 HD22 ASN 13 2HD2 ASN 13 -10.925 -5.122 -4.325
97 H ASP 14 H ASP 14 -5.605 -5.375 -3.805
98 HA ASP 14 HA ASP 14 -4.605 -4.027 -1.551
99 HB2 ASP 14 2HB ASP 14 -2.992 -2.909 -3.023
100 HB3 ASP 14 1HB ASP 14 -3.036 -4.643 -3.268
101 H LYS 15 H LYS 15 -5.164 -2.382 -0.615
102 HA LYS 15 HA LYS 15 -6.580 -0.333 -2.101
103 HB2 LYS 15 2HB LYS 15 -7.100 -1.226 0.737
104 HB3 LYS 15 1HB LYS 15 -7.812 0.194 -0.021
105 HG2 LYS 15 2HG LYS 15 -8.879 -1.237 -1.699
106 HG3 LYS 15 1HG LYS 15 -8.188 -2.658 -0.919
107 HD2 LYS 15 2HD LYS 15 -10.510 -2.345 -0.267
108 HD3 LYS 15 1HD LYS 15 -9.448 -2.127 1.124
109 HE2 LYS 15 2HE LYS 15 -9.609 0.309 0.844
110 HE3 LYS 15 1HE LYS 15 -10.661 0.074 -0.549
111 HZ1 LYS 15 1HZ LYS 15 -11.281 -0.815 2.213
112 HZ2 LYS 15 2HZ LYS 15 -12.313 -0.891 0.873
113 HZ3 LYS 15 3HZ LYS 15 -11.852 0.586 1.503
114 H CYS 16 H CYS 16 -4.862 0.847 -2.512
115 HA CYS 16 HA CYS 16 -3.837 2.467 -0.352
116 HB2 CYS 16 2HB CYS 16 -2.153 1.185 -2.544
117 HB3 CYS 16 1HB CYS 16 -1.576 2.378 -1.389
118 H CYS 17 H CYS 17 -2.682 4.435 -1.682
119 HA CYS 17 HA CYS 17 -4.636 5.309 -3.556
120 HB2 CYS 17 2HB CYS 17 -1.930 6.599 -3.230
121 HB3 CYS 17 1HB CYS 17 -3.424 7.336 -3.744
122 H ARG 18 H ARG 18 -4.454 3.499 -5.006
123 HA ARG 18 HA ARG 18 -2.128 3.105 -6.563
124 HB2 ARG 18 2HB ARG 18 -3.586 1.782 -8.098
125 HB3 ARG 18 1HB ARG 18 -3.718 1.285 -6.420
126 HG2 ARG 18 2HG ARG 18 -5.824 2.391 -6.191
127 HG3 ARG 18 1HG ARG 18 -5.657 3.139 -7.778
128 HD2 ARG 18 2HD ARG 18 -7.206 1.232 -7.793
129 HD3 ARG 18 1HD ARG 18 -5.823 0.970 -8.847
130 HE ARG 18 HE ARG 18 -4.969 -0.243 -6.707
131 HH11 ARG 18 1HH1 ARG 18 -8.305 -0.346 -7.966
132 HH12 ARG 18 2HH1 ARG 18 -8.524 -1.980 -7.537
133 HH21 ARG 18 1HH2 ARG 18 -5.333 -2.459 -6.148
134 HH22 ARG 18 2HH2 ARG 18 -6.849 -3.189 -6.498
135 HA PRO 19 HA PRO 19 -1.341 2.721 -8.283
136 HB2 PRO 19 2HB PRO 19 -0.081 3.295 -10.545
137 HB3 PRO 19 1HB PRO 19 -1.713 2.617 -10.565
138 HG2 PRO 19 2HG PRO 19 -0.812 5.363 -11.170
139 HG3 PRO 19 1HG PRO 19 -2.261 4.508 -11.735
140 HD2 PRO 19 2HD PRO 19 -1.993 6.389 -9.558
141 HD3 PRO 19 1HD PRO 19 -3.466 5.599 -10.147
142 H ASN 20 H ASN 20 -1.064 5.592 -7.134
143 HA ASN 20 HA ASN 20 1.702 6.275 -7.593
144 HB2 ASN 20 2HB ASN 20 -0.071 7.961 -6.965
145 HB3 ASN 20 1HB ASN 20 -0.110 7.250 -5.361
146 HD21 ASN 20 1HD2 ASN 20 1.697 9.144 -7.602
147 HD22 ASN 20 2HD2 ASN 20 2.858 9.760 -6.501
148 H LEU 21 H LEU 21 -0.154 4.611 -5.156
149 HA LEU 21 HA LEU 21 2.327 3.589 -3.980
150 HB2 LEU 21 2HB LEU 21 -0.342 4.004 -2.616
151 HB3 LEU 21 1HB LEU 21 0.985 3.105 -1.932
152 HG LEU 21 HG LEU 21 2.302 5.314 -2.127
153 HD11 LEU 21 1HD1 LEU 21 0.572 6.465 -3.494
154 HD12 LEU 21 2HD1 LEU 21 1.058 7.309 -2.026
155 HD13 LEU 21 3HD1 LEU 21 -0.470 6.436 -2.058
156 HD21 LEU 21 1HD2 LEU 21 1.683 4.237 -0.061
157 HD22 LEU 21 2HD2 LEU 21 0.067 4.936 -0.171
158 HD23 LEU 21 3HD2 LEU 21 1.467 5.983 0.057
159 H VAL 22 H VAL 22 2.225 1.441 -3.284
160 HA VAL 22 HA VAL 22 0.058 -0.177 -4.383
161 HB VAL 22 HB VAL 22 1.693 -1.927 -5.061
162 HG11 VAL 22 1HG1 VAL 22 0.885 -0.407 -6.771
163 HG12 VAL 22 2HG1 VAL 22 2.563 -0.849 -7.085
164 HG13 VAL 22 3HG1 VAL 22 2.180 0.729 -6.398
165 HG21 VAL 22 1HG2 VAL 22 3.535 -1.347 -3.580
166 HG22 VAL 22 2HG2 VAL 22 3.781 0.166 -4.453
167 HG23 VAL 22 3HG2 VAL 22 4.087 -1.375 -5.256
168 H CYS 23 H CYS 23 -0.058 -2.310 -3.299
169 HA CYS 23 HA CYS 23 0.556 -1.978 -0.500
170 HB2 CYS 23 2HB CYS 23 -1.672 -2.741 -1.053
171 HB3 CYS 23 1HB CYS 23 -1.020 -4.071 -2.001
172 H SER 24 H SER 24 2.570 -2.542 0.093
173 HA SER 24 HA SER 24 3.958 -4.666 -1.194
174 HB2 SER 24 2HB SER 24 5.196 -2.828 -0.122
175 HB3 SER 24 1HB SER 24 4.470 -3.232 1.431
176 HG SER 24 HG SER 24 6.243 -4.868 -0.099
177 H ARG 25 H ARG 25 3.569 -6.740 -0.800
178 HA ARG 25 HA ARG 25 1.910 -7.462 1.442
179 HB2 ARG 25 2HB ARG 25 1.949 -9.730 0.533
180 HB3 ARG 25 1HB ARG 25 1.568 -8.575 -0.730
181 HG2 ARG 25 2HG ARG 25 3.908 -8.715 -1.512
182 HG3 ARG 25 1HG ARG 25 4.213 -9.938 -0.280
183 HD2 ARG 25 2HD ARG 25 2.206 -10.127 -2.514
184 HD3 ARG 25 1HD ARG 25 3.760 -10.951 -2.461
185 HE ARG 25 HE ARG 25 2.229 -11.585 -0.171
186 HH11 ARG 25 1HH1 ARG 25 2.455 -12.324 -3.639
187 HH12 ARG 25 2HH1 ARG 25 1.698 -13.831 -3.519
188 HH21 ARG 25 1HH2 ARG 25 1.179 -13.713 0.001
189 HH22 ARG 25 2HH2 ARG 25 0.935 -14.616 -1.406
190 H LEU 26 H LEU 26 5.183 -7.244 0.652
191 HA LEU 26 HA LEU 26 6.218 -9.084 2.579
192 HB2 LEU 26 2HB LEU 26 7.457 -8.550 0.563
193 HB3 LEU 26 1HB LEU 26 7.495 -6.859 1.002
194 HG LEU 26 HG LEU 26 8.942 -7.412 2.929
195 HD11 LEU 26 1HD1 LEU 26 9.983 -9.604 3.061
196 HD12 LEU 26 2HD1 LEU 26 8.954 -10.181 1.752
197 HD13 LEU 26 3HD1 LEU 26 8.239 -9.706 3.295
198 HD21 LEU 26 1HD2 LEU 26 9.930 -8.358 0.253
199 HD22 LEU 26 2HD2 LEU 26 10.945 -7.903 1.618
200 HD23 LEU 26 3HD2 LEU 26 9.923 -6.695 0.838
201 H HIS 27 H HIS 27 6.050 -5.531 2.347
202 HA HIS 27 HA HIS 27 6.909 -5.298 5.099
203 HB2 HIS 27 2HB HIS 27 6.145 -3.201 3.054
204 HB3 HIS 27 1HB HIS 27 6.629 -2.817 4.701
205 HD1 HIS 27 1HD HIS 27 9.127 -2.366 4.983
206 HD2 HIS 27 2HD HIS 27 8.266 -4.645 1.605
207 HE1 HIS 27 1HE HIS 27 11.294 -2.663 3.784
208 H ARG 28 H ARG 28 4.018 -5.458 3.348
209 HA ARG 28 HA ARG 28 1.919 -5.765 3.898
210 HB2 ARG 28 2HB ARG 28 2.981 -6.847 5.995
211 HB3 ARG 28 1HB ARG 28 2.508 -5.371 6.825
212 HG2 ARG 28 2HG ARG 28 0.190 -5.768 6.168
213 HG3 ARG 28 1HG ARG 28 0.695 -7.270 5.396
214 HD2 ARG 28 2HD ARG 28 1.591 -8.009 7.602
215 HD3 ARG 28 1HD ARG 28 0.824 -6.593 8.325
216 HE ARG 28 HE ARG 28 -0.711 -8.557 6.795
217 HH11 ARG 28 1HH1 ARG 28 -0.373 -6.600 9.721
218 HH12 ARG 28 2HH1 ARG 28 -1.670 -7.340 10.526
219 HH21 ARG 28 1HH2 ARG 28 -2.513 -9.569 7.938
220 HH22 ARG 28 2HH2 ARG 28 -2.887 -9.047 9.513
221 H TRP 29 H TRP 29 3.179 -3.080 3.537
222 HA TRP 29 HA TRP 29 0.838 -1.622 4.397
223 HB2 TRP 29 2HB TRP 29 2.125 0.349 5.100
224 HB3 TRP 29 1HB TRP 29 2.437 -1.063 6.091
225 HD1 TRP 29 HD TRP 29 4.190 0.505 2.951
226 HE1 TRP 29 1HE TRP 29 6.738 0.532 3.411
227 HE3 TRP 29 3HE TRP 29 4.219 -1.584 7.612
228 HZ2 TRP 29 2HZ TRP 29 8.487 -0.188 5.458
229 HZ3 TRP 29 3HZ TRP 29 6.375 -1.874 8.758
230 HH2 TRP 29 HH TRP 29 8.468 -1.189 7.700
231 H CYS 30 H CYS 30 0.626 0.462 3.375
232 HA CYS 30 HA CYS 30 0.931 0.291 0.551
233 HB2 CYS 30 2HB CYS 30 -0.035 2.448 2.403
234 HB3 CYS 30 1HB CYS 30 -0.063 2.637 0.662
235 H LYS 31 H LYS 31 2.834 0.599 -0.363
236 HA LYS 31 HA LYS 31 4.590 2.650 0.767
237 HB2 LYS 31 2HB LYS 31 6.474 1.428 -0.207
238 HB3 LYS 31 1HB LYS 31 5.542 0.389 0.848
239 HG2 LYS 31 2HG LYS 31 4.573 -0.740 -1.009
240 HG3 LYS 31 1HG LYS 31 5.264 0.427 -2.139
241 HD2 LYS 31 2HD LYS 31 7.517 -0.275 -1.466
242 HD3 LYS 31 1HD LYS 31 6.816 -1.469 -0.376
243 HE2 LYS 31 2HE LYS 31 5.768 -2.596 -2.249
244 HE3 LYS 31 1HE LYS 31 6.377 -1.369 -3.354
245 HZ1 LYS 31 1HZ LYS 31 7.680 -3.397 -3.360
246 HZ2 LYS 31 2HZ LYS 31 8.113 -3.173 -1.746
247 HZ3 LYS 31 3HZ LYS 31 8.604 -2.074 -2.917
248 H TYR 32 H TYR 32 5.723 3.969 -0.678
249 HA TYR 32 HA TYR 32 4.143 4.747 -2.994
250 HB2 TYR 32 2HB TYR 32 6.592 6.037 -1.743
251 HB3 TYR 32 1HB TYR 32 5.573 6.757 -2.978
252 HD1 TYR 32 1HD TYR 32 3.512 7.845 -2.381
253 HD2 TYR 32 2HD TYR 32 5.730 5.749 0.578
254 HE1 TYR 32 1HE TYR 32 2.105 8.826 -0.627
255 HE2 TYR 32 2HE TYR 32 4.332 6.713 2.324
256 HH TYR 32 HH TYR 32 2.902 8.801 2.581
257 H VAL 33 H VAL 33 4.820 4.456 -5.084
258 HA VAL 33 HA VAL 33 7.542 3.490 -5.459
259 HB VAL 33 HB VAL 33 6.665 2.076 -7.407
260 HG11 VAL 33 1HG1 VAL 33 6.025 0.207 -5.941
261 HG12 VAL 33 2HG1 VAL 33 5.843 1.338 -4.599
262 HG13 VAL 33 3HG1 VAL 33 7.428 1.081 -5.325
263 HG21 VAL 33 1HG2 VAL 33 4.322 1.354 -7.285
264 HG22 VAL 33 2HG2 VAL 33 4.430 3.093 -7.571
265 HG23 VAL 33 3HG2 VAL 33 4.041 2.488 -5.964
266 H PHE 34 H PHE 34 8.709 4.643 -6.740
267 HA PHE 34 HA PHE 34 7.472 6.135 -8.872
268 HB2 PHE 34 2HB PHE 34 8.986 8.125 -8.218
269 HB3 PHE 34 1HB PHE 34 7.539 7.866 -7.266
270 HD1 PHE 34 1HD PHE 34 7.696 7.063 -4.966
271 HD2 PHE 34 2HD PHE 34 11.187 7.862 -7.259
272 HE1 PHE 34 1HE PHE 34 9.040 7.070 -2.911
273 HE2 PHE 34 2HE PHE 34 12.537 7.866 -5.209
274 HZ PHE 34 HZ PHE 34 11.468 7.468 -3.033
Start of MODEL 12
1 H1 ASP 1 1HT ASP 1 -9.180 9.494 3.498
2 H2 ASP 1 2HT ASP 1 -9.377 10.722 2.391
3 H3 ASP 1 3HT ASP 1 -9.352 11.090 4.038
4 HA ASP 1 HA ASP 1 -7.256 11.667 2.959
5 HB2 ASP 1 2HB ASP 1 -7.055 9.235 4.767
6 HB3 ASP 1 1HB ASP 1 -5.702 10.263 4.330
7 H CYS 2 H CYS 2 -5.317 10.826 1.933
8 HA CYS 2 HA CYS 2 -5.944 8.928 -0.124
9 HB2 CYS 2 2HB CYS 2 -4.432 10.897 -0.508
10 HB3 CYS 2 1HB CYS 2 -3.304 10.211 0.650
11 H LEU 3 H LEU 3 -5.996 6.834 0.343
12 HA LEU 3 HA LEU 3 -4.958 5.679 2.677
13 HB2 LEU 3 2HB LEU 3 -5.495 4.406 0.054
14 HB3 LEU 3 1HB LEU 3 -5.294 3.525 1.550
15 HG LEU 3 HG LEU 3 -7.609 5.359 0.873
16 HD11 LEU 3 1HD1 LEU 3 -8.938 3.316 0.917
17 HD12 LEU 3 2HD1 LEU 3 -7.481 2.370 1.223
18 HD13 LEU 3 3HD1 LEU 3 -7.670 3.222 -0.308
19 HD21 LEU 3 1HD2 LEU 3 -7.082 3.704 3.338
20 HD22 LEU 3 2HD2 LEU 3 -8.573 4.574 2.985
21 HD23 LEU 3 3HD2 LEU 3 -7.072 5.466 3.236
22 H GLY 4 H GLY 4 -3.007 5.474 3.138
23 HA2 GLY 4 2HA GLY 4 -0.988 4.206 1.882
24 HA3 GLY 4 1HA GLY 4 -0.953 5.815 1.171
25 H ALA 5 H ALA 5 1.163 5.989 2.085
26 HA ALA 5 HA ALA 5 2.690 6.573 3.570
27 HB1 ALA 5 1HB ALA 5 2.142 8.238 5.255
28 HB2 ALA 5 2HB ALA 5 0.430 7.837 5.137
29 HB3 ALA 5 3HB ALA 5 1.251 8.594 3.772
30 H PHE 6 H PHE 6 2.533 4.150 3.799
31 HA PHE 6 HA PHE 6 3.124 2.418 5.051
32 HB2 PHE 6 2HB PHE 6 3.300 4.409 7.315
33 HB3 PHE 6 1HB PHE 6 3.911 2.761 7.363
34 HD1 PHE 6 1HD PHE 6 5.708 2.114 5.672
35 HD2 PHE 6 2HD PHE 6 4.613 6.144 6.489
36 HE1 PHE 6 1HE PHE 6 7.842 2.879 4.736
37 HE2 PHE 6 2HE PHE 6 6.739 6.917 5.550
38 HZ PHE 6 HZ PHE 6 8.364 5.286 4.668
39 H ARG 7 H ARG 7 0.208 3.402 5.019
40 HA ARG 7 HA ARG 7 -0.963 2.272 7.365
41 HB2 ARG 7 2HB ARG 7 -2.101 2.790 4.618
42 HB3 ARG 7 1HB ARG 7 -3.036 2.047 5.904
43 HG2 ARG 7 2HG ARG 7 -1.813 4.797 5.978
44 HG3 ARG 7 1HG ARG 7 -3.507 4.422 5.664
45 HD2 ARG 7 2HD ARG 7 -1.990 3.839 8.206
46 HD3 ARG 7 1HD ARG 7 -3.190 5.107 7.972
47 HE ARG 7 HE ARG 7 -4.421 2.734 7.312
48 HH11 ARG 7 1HH1 ARG 7 -2.970 4.175 10.188
49 HH12 ARG 7 2HH1 ARG 7 -3.924 3.324 11.304
50 HH21 ARG 7 1HH2 ARG 7 -5.773 1.545 8.829
51 HH22 ARG 7 2HH2 ARG 7 -5.608 1.801 10.494
52 H LYS 8 H LYS 8 -1.008 0.233 7.926
53 HA LYS 8 HA LYS 8 -0.216 -1.835 6.194
54 HB2 LYS 8 2HB LYS 8 -0.934 -3.367 8.045
55 HB3 LYS 8 1HB LYS 8 0.186 -2.109 8.534
56 HG2 LYS 8 2HG LYS 8 -1.781 -0.818 9.405
57 HG3 LYS 8 1HG LYS 8 -2.768 -2.233 9.050
58 HD2 LYS 8 2HD LYS 8 -1.423 -3.593 10.521
59 HD3 LYS 8 1HD LYS 8 -0.350 -2.234 10.847
60 HE2 LYS 8 2HE LYS 8 -2.236 -1.017 11.852
61 HE3 LYS 8 1HE LYS 8 -3.279 -2.406 11.549
62 HZ1 LYS 8 1HZ LYS 8 -0.869 -2.412 13.287
63 HZ2 LYS 8 2HZ LYS 8 -1.898 -3.731 13.004
64 HZ3 LYS 8 3HZ LYS 8 -2.471 -2.391 13.811
65 H CYS 9 H CYS 9 -1.262 -2.699 4.655
66 HA CYS 9 HA CYS 9 -4.186 -2.503 4.578
67 HB2 CYS 9 2HB CYS 9 -3.778 -2.286 2.081
68 HB3 CYS 9 1HB CYS 9 -3.346 -0.901 3.086
69 H ILE 10 H ILE 10 -4.996 -3.946 2.728
70 HA ILE 10 HA ILE 10 -3.986 -6.633 3.132
71 HB ILE 10 HB ILE 10 -6.449 -5.654 1.619
72 HG12 ILE 10 2HG1 ILE 10 -7.719 -6.812 3.529
73 HG13 ILE 10 1HG1 ILE 10 -6.203 -6.778 4.409
74 HG21 ILE 10 1HG2 ILE 10 -5.662 -8.457 2.356
75 HG22 ILE 10 2HG2 ILE 10 -5.688 -7.746 0.741
76 HG23 ILE 10 3HG2 ILE 10 -7.197 -7.982 1.625
77 HD11 ILE 10 1HD1 ILE 10 -7.720 -4.380 3.401
78 HD12 ILE 10 2HD1 ILE 10 -6.210 -4.338 4.311
79 HD13 ILE 10 3HD1 ILE 10 -7.678 -4.961 5.064
80 HA PRO 11 HA PRO 11 -2.026 -5.801 -0.923
81 HB2 PRO 11 2HB PRO 11 -0.495 -8.228 -0.504
82 HB3 PRO 11 1HB PRO 11 0.086 -6.563 -0.510
83 HG2 PRO 11 2HG PRO 11 0.038 -8.108 1.736
84 HG3 PRO 11 1HG PRO 11 -0.120 -6.345 1.763
85 HD2 PRO 11 2HD PRO 11 -2.245 -8.439 1.948
86 HD3 PRO 11 1HD PRO 11 -2.053 -6.929 2.879
87 H ASP 12 H ASP 12 -3.893 -8.322 0.180
88 HA ASP 12 HA ASP 12 -3.912 -9.946 -2.197
89 HB2 ASP 12 2HB ASP 12 -5.769 -9.789 0.174
90 HB3 ASP 12 1HB ASP 12 -6.067 -10.870 -1.170
91 H ASN 13 H ASN 13 -5.162 -7.012 -1.332
92 HA ASN 13 HA ASN 13 -6.311 -6.517 -3.847
93 HB2 ASN 13 2HB ASN 13 -8.302 -7.595 -2.828
94 HB3 ASN 13 1HB ASN 13 -8.153 -6.535 -1.430
95 HD21 ASN 13 1HD2 ASN 13 -10.227 -5.755 -1.771
96 HD22 ASN 13 2HD2 ASN 13 -10.595 -4.627 -3.037
97 H ASP 14 H ASP 14 -4.752 -5.011 -3.843
98 HA ASP 14 HA ASP 14 -3.810 -3.404 -1.819
99 HB2 ASP 14 2HB ASP 14 -4.060 -2.737 -4.742
100 HB3 ASP 14 1HB ASP 14 -3.136 -1.774 -3.590
101 H LYS 15 H LYS 15 -4.857 -2.087 -0.566
102 HA LYS 15 HA LYS 15 -6.804 -0.262 -1.755
103 HB2 LYS 15 2HB LYS 15 -6.741 -1.432 1.038
104 HB3 LYS 15 1HB LYS 15 -7.806 -0.121 0.549
105 HG2 LYS 15 2HG LYS 15 -8.936 -1.551 -1.017
106 HG3 LYS 15 1HG LYS 15 -7.789 -2.857 -0.711
107 HD2 LYS 15 2HD LYS 15 -8.564 -3.058 1.562
108 HD3 LYS 15 1HD LYS 15 -9.611 -1.655 1.368
109 HE2 LYS 15 2HE LYS 15 -9.854 -4.231 -0.176
110 HE3 LYS 15 1HE LYS 15 -10.830 -3.803 1.225
111 HZ1 LYS 15 1HZ LYS 15 -12.014 -3.339 -0.810
112 HZ2 LYS 15 2HZ LYS 15 -10.770 -2.370 -1.378
113 HZ3 LYS 15 3HZ LYS 15 -11.667 -1.882 -0.039
114 H CYS 16 H CYS 16 -5.277 1.172 -2.266
115 HA CYS 16 HA CYS 16 -4.298 2.929 -0.237
116 HB2 CYS 16 2HB CYS 16 -2.398 1.665 -2.263
117 HB3 CYS 16 1HB CYS 16 -1.981 2.837 -1.025
118 H CYS 17 H CYS 17 -3.276 4.855 -1.710
119 HA CYS 17 HA CYS 17 -5.030 5.322 -3.873
120 HB2 CYS 17 2HB CYS 17 -2.472 6.754 -3.121
121 HB3 CYS 17 1HB CYS 17 -3.627 7.332 -4.316
122 H ARG 18 H ARG 18 -4.804 3.537 -5.135
123 HA ARG 18 HA ARG 18 -2.337 2.620 -6.239
124 HB2 ARG 18 2HB ARG 18 -4.359 1.197 -5.756
125 HB3 ARG 18 1HB ARG 18 -5.163 1.975 -7.108
126 HG2 ARG 18 2HG ARG 18 -3.301 1.122 -8.563
127 HG3 ARG 18 1HG ARG 18 -2.769 0.165 -7.183
128 HD2 ARG 18 2HD ARG 18 -5.451 0.004 -8.560
129 HD3 ARG 18 1HD ARG 18 -4.133 -1.156 -8.675
130 HE ARG 18 HE ARG 18 -5.113 -0.725 -6.010
131 HH11 ARG 18 1HH1 ARG 18 -5.487 -2.624 -8.987
132 HH12 ARG 18 2HH1 ARG 18 -6.257 -3.939 -8.237
133 HH21 ARG 18 1HH2 ARG 18 -6.259 -2.545 -4.966
134 HH22 ARG 18 2HH2 ARG 18 -6.730 -3.865 -5.933
135 HA PRO 19 HA PRO 19 -1.274 1.965 -7.747
136 HB2 PRO 19 2HB PRO 19 0.189 2.007 -9.956
137 HB3 PRO 19 1HB PRO 19 -1.451 1.347 -9.976
138 HG2 PRO 19 2HG PRO 19 -0.432 3.850 -11.144
139 HG3 PRO 19 1HG PRO 19 -1.892 2.935 -11.559
140 HD2 PRO 19 2HD PRO 19 -1.608 5.257 -9.819
141 HD3 PRO 19 1HD PRO 19 -3.096 4.471 -10.381
142 H ASN 20 H ASN 20 -1.035 5.021 -7.309
143 HA ASN 20 HA ASN 20 1.777 5.560 -7.639
144 HB2 ASN 20 2HB ASN 20 -0.363 7.069 -6.096
145 HB3 ASN 20 1HB ASN 20 1.293 7.625 -6.274
146 HD21 ASN 20 1HD2 ASN 20 0.623 9.503 -7.304
147 HD22 ASN 20 2HD2 ASN 20 0.063 9.523 -8.930
148 H LEU 21 H LEU 21 -0.387 4.657 -5.082
149 HA LEU 21 HA LEU 21 1.903 3.935 -3.402
150 HB2 LEU 21 2HB LEU 21 -0.917 4.569 -2.483
151 HB3 LEU 21 1HB LEU 21 0.486 4.285 -1.475
152 HG LEU 21 HG LEU 21 0.027 6.708 -3.219
153 HD11 LEU 21 1HD1 LEU 21 -0.119 7.926 -1.156
154 HD12 LEU 21 2HD1 LEU 21 0.219 6.468 -0.243
155 HD13 LEU 21 3HD1 LEU 21 -1.305 6.612 -1.134
156 HD21 LEU 21 1HD2 LEU 21 2.083 7.579 -2.223
157 HD22 LEU 21 2HD2 LEU 21 2.382 6.130 -3.179
158 HD23 LEU 21 3HD2 LEU 21 2.347 6.034 -1.418
159 H VAL 22 H VAL 22 2.033 1.807 -3.158
160 HA VAL 22 HA VAL 22 -0.330 0.213 -3.866
161 HB VAL 22 HB VAL 22 1.142 -1.532 -4.751
162 HG11 VAL 22 1HG1 VAL 22 1.535 1.165 -6.036
163 HG12 VAL 22 2HG1 VAL 22 0.193 0.053 -6.312
164 HG13 VAL 22 3HG1 VAL 22 1.825 -0.386 -6.823
165 HG21 VAL 22 1HG2 VAL 22 3.163 -1.073 -3.489
166 HG22 VAL 22 2HG2 VAL 22 3.360 0.466 -4.324
167 HG23 VAL 22 3HG2 VAL 22 3.515 -1.048 -5.218
168 H CYS 23 H CYS 23 -0.331 -1.991 -2.927
169 HA CYS 23 HA CYS 23 0.578 -1.726 -0.185
170 HB2 CYS 23 2HB CYS 23 -1.860 -2.114 -0.749
171 HB3 CYS 23 1HB CYS 23 -1.390 -3.691 -1.366
172 H SER 24 H SER 24 2.429 -2.646 0.181
173 HA SER 24 HA SER 24 3.636 -4.592 -1.519
174 HB2 SER 24 2HB SER 24 4.971 -2.977 -0.280
175 HB3 SER 24 1HB SER 24 4.367 -3.605 1.246
176 HG SER 24 HG SER 24 6.101 -4.875 -0.619
177 H ARG 25 H ARG 25 3.829 -6.788 -1.213
178 HA ARG 25 HA ARG 25 1.965 -8.021 0.614
179 HB2 ARG 25 2HB ARG 25 4.071 -9.251 -1.182
180 HB3 ARG 25 1HB ARG 25 2.874 -10.146 -0.272
181 HG2 ARG 25 2HG ARG 25 1.102 -9.181 -1.609
182 HG3 ARG 25 1HG ARG 25 2.281 -8.204 -2.493
183 HD2 ARG 25 2HD ARG 25 3.368 -10.185 -3.309
184 HD3 ARG 25 1HD ARG 25 2.286 -11.215 -2.368
185 HE ARG 25 HE ARG 25 0.627 -9.776 -3.920
186 HH11 ARG 25 1HH1 ARG 25 3.474 -11.748 -4.686
187 HH12 ARG 25 2HH1 ARG 25 2.880 -12.266 -6.191
188 HH21 ARG 25 1HH2 ARG 25 -0.185 -10.487 -5.992
189 HH22 ARG 25 2HH2 ARG 25 0.740 -11.544 -6.956
190 H LEU 26 H LEU 26 5.384 -7.603 0.180
191 HA LEU 26 HA LEU 26 6.344 -9.268 2.219
192 HB2 LEU 26 2HB LEU 26 7.711 -8.417 0.362
193 HB3 LEU 26 1HB LEU 26 7.579 -6.796 1.004
194 HG LEU 26 HG LEU 26 8.833 -7.536 3.021
195 HD11 LEU 26 1HD1 LEU 26 10.059 -9.653 2.914
196 HD12 LEU 26 2HD1 LEU 26 9.149 -10.094 1.469
197 HD13 LEU 26 3HD1 LEU 26 8.318 -9.871 3.010
198 HD21 LEU 26 1HD2 LEU 26 11.020 -7.695 1.904
199 HD22 LEU 26 2HD2 LEU 26 10.002 -6.430 1.228
200 HD23 LEU 26 3HD2 LEU 26 10.199 -7.958 0.364
201 H HIS 27 H HIS 27 5.820 -5.772 2.140
202 HA HIS 27 HA HIS 27 6.392 -5.608 4.987
203 HB2 HIS 27 2HB HIS 27 5.655 -3.416 3.044
204 HB3 HIS 27 1HB HIS 27 6.197 -3.186 4.699
205 HD1 HIS 27 1HD HIS 27 8.791 -3.478 5.146
206 HD2 HIS 27 2HD HIS 27 7.584 -4.055 1.212
207 HE1 HIS 27 1HE HIS 27 10.886 -3.468 3.778
208 H ARG 28 H ARG 28 3.680 -5.831 2.917
209 HA ARG 28 HA ARG 28 1.522 -5.742 3.120
210 HB2 ARG 28 2HB ARG 28 2.071 -7.515 4.797
211 HB3 ARG 28 1HB ARG 28 2.017 -6.296 6.061
212 HG2 ARG 28 2HG ARG 28 -0.311 -5.863 5.539
213 HG3 ARG 28 1HG ARG 28 -0.242 -7.083 4.266
214 HD2 ARG 28 2HD ARG 28 0.334 -7.664 7.164
215 HD3 ARG 28 1HD ARG 28 -1.256 -7.884 6.437
216 HE ARG 28 HE ARG 28 0.176 -9.350 4.810
217 HH11 ARG 28 1HH1 ARG 28 0.447 -9.168 8.331
218 HH12 ARG 28 2HH1 ARG 28 0.880 -10.799 8.519
219 HH21 ARG 28 1HH2 ARG 28 0.719 -11.578 5.070
220 HH22 ARG 28 2HH2 ARG 28 1.040 -12.214 6.619
221 H TRP 29 H TRP 29 2.719 -3.255 3.100
222 HA TRP 29 HA TRP 29 0.532 -1.779 4.201
223 HB2 TRP 29 2HB TRP 29 1.832 0.001 5.245
224 HB3 TRP 29 1HB TRP 29 2.235 -1.523 5.999
225 HD1 TRP 29 HD TRP 29 3.787 0.663 3.142
226 HE1 TRP 29 1HE TRP 29 6.336 0.718 3.497
227 HE3 TRP 29 3HE TRP 29 4.105 -2.313 7.278
228 HZ2 TRP 29 2HZ TRP 29 8.216 -0.330 5.283
229 HZ3 TRP 29 3HZ TRP 29 6.321 -2.724 8.255
230 HH2 TRP 29 HH TRP 29 8.333 -1.746 7.270
231 H CYS 30 H CYS 30 0.456 0.416 3.378
232 HA CYS 30 HA CYS 30 0.824 0.435 0.557
233 HB2 CYS 30 2HB CYS 30 0.120 2.662 2.441
234 HB3 CYS 30 1HB CYS 30 -0.010 2.751 0.688
235 H LYS 31 H LYS 31 2.748 0.605 -0.248
236 HA LYS 31 HA LYS 31 4.685 2.447 0.948
237 HB2 LYS 31 2HB LYS 31 6.426 1.168 -0.171
238 HB3 LYS 31 1HB LYS 31 5.450 0.112 0.833
239 HG2 LYS 31 2HG LYS 31 4.285 -0.721 -1.123
240 HG3 LYS 31 1HG LYS 31 5.172 0.404 -2.151
241 HD2 LYS 31 2HD LYS 31 6.473 -1.731 -0.465
242 HD3 LYS 31 1HD LYS 31 6.064 -1.939 -2.169
243 HE2 LYS 31 2HE LYS 31 7.977 0.099 -1.005
244 HE3 LYS 31 1HE LYS 31 8.415 -1.391 -1.828
245 HZ1 LYS 31 1HZ LYS 31 7.256 -0.481 -3.829
246 HZ2 LYS 31 2HZ LYS 31 8.643 0.294 -3.350
247 HZ3 LYS 31 3HZ LYS 31 7.186 1.037 -3.046
248 H TYR 32 H TYR 32 6.212 3.309 -0.780
249 HA TYR 32 HA TYR 32 4.537 4.668 -2.726
250 HB2 TYR 32 2HB TYR 32 7.360 5.204 -1.765
251 HB3 TYR 32 1HB TYR 32 6.440 6.237 -2.851
252 HD1 TYR 32 1HD TYR 32 4.757 7.707 -2.018
253 HD2 TYR 32 2HD TYR 32 6.702 5.034 0.657
254 HE1 TYR 32 1HE TYR 32 3.771 8.883 -0.148
255 HE2 TYR 32 2HE TYR 32 5.710 6.216 2.562
256 HH TYR 32 HH TYR 32 4.775 8.530 3.020
257 H VAL 33 H VAL 33 4.878 4.469 -4.929
258 HA VAL 33 HA VAL 33 7.285 3.089 -5.763
259 HB VAL 33 HB VAL 33 5.937 2.067 -7.713
260 HG11 VAL 33 1HG1 VAL 33 5.317 0.102 -6.394
261 HG12 VAL 33 2HG1 VAL 33 5.502 1.051 -4.916
262 HG13 VAL 33 3HG1 VAL 33 6.899 0.734 -5.941
263 HG21 VAL 33 1HG2 VAL 33 3.887 3.319 -7.366
264 HG22 VAL 33 2HG2 VAL 33 3.688 2.575 -5.780
265 HG23 VAL 33 3HG2 VAL 33 3.586 1.584 -7.241
266 H PHE 34 H PHE 34 8.225 4.898 -6.216
267 HA PHE 34 HA PHE 34 7.357 6.213 -8.661
268 HB2 PHE 34 2HB PHE 34 8.469 7.607 -6.204
269 HB3 PHE 34 1HB PHE 34 8.179 8.375 -7.752
270 HD1 PHE 34 1HD PHE 34 6.711 7.237 -4.656
271 HD2 PHE 34 2HD PHE 34 5.859 8.737 -8.533
272 HE1 PHE 34 1HE PHE 34 4.415 7.803 -3.934
273 HE2 PHE 34 2HE PHE 34 3.571 9.307 -7.811
274 HZ PHE 34 HZ PHE 34 2.861 8.840 -5.506
Start of MODEL 13
1 H1 ASP 1 1HT ASP 1 -3.719 13.765 2.064
2 H2 ASP 1 2HT ASP 1 -3.886 14.301 3.655
3 H3 ASP 1 3HT ASP 1 -5.249 13.899 2.723
4 HA ASP 1 HA ASP 1 -3.129 12.020 3.482
5 HB2 ASP 1 2HB ASP 1 -5.927 12.343 4.576
6 HB3 ASP 1 1HB ASP 1 -4.948 10.902 4.821
7 H CYS 2 H CYS 2 -2.925 10.641 1.917
8 HA CYS 2 HA CYS 2 -5.272 10.006 0.273
9 HB2 CYS 2 2HB CYS 2 -2.865 10.874 -0.573
10 HB3 CYS 2 1HB CYS 2 -2.471 9.172 -0.413
11 H LEU 3 H LEU 3 -5.815 7.763 0.093
12 HA LEU 3 HA LEU 3 -5.341 6.152 2.345
13 HB2 LEU 3 2HB LEU 3 -6.173 5.287 -0.398
14 HB3 LEU 3 1HB LEU 3 -6.278 4.304 1.034
15 HG LEU 3 HG LEU 3 -7.859 6.835 0.582
16 HD11 LEU 3 1HD1 LEU 3 -9.773 5.324 0.386
17 HD12 LEU 3 2HD1 LEU 3 -8.682 3.940 0.502
18 HD13 LEU 3 3HD1 LEU 3 -8.573 5.033 -0.873
19 HD21 LEU 3 1HD2 LEU 3 -9.076 6.143 2.585
20 HD22 LEU 3 2HD2 LEU 3 -7.377 6.441 2.943
21 HD23 LEU 3 3HD2 LEU 3 -7.973 4.785 2.790
22 H GLY 4 H GLY 4 -3.776 4.980 2.853
23 HA2 GLY 4 2HA GLY 4 -2.129 3.262 2.138
24 HA3 GLY 4 1HA GLY 4 -1.645 4.419 0.897
25 H ALA 5 H ALA 5 0.182 5.398 1.412
26 HA ALA 5 HA ALA 5 1.815 6.439 2.519
27 HB1 ALA 5 1HB ALA 5 -0.401 7.438 4.311
28 HB2 ALA 5 2HB ALA 5 0.053 8.145 2.760
29 HB3 ALA 5 3HB ALA 5 1.191 8.174 4.107
30 H PHE 6 H PHE 6 2.206 4.048 3.110
31 HA PHE 6 HA PHE 6 3.271 2.649 4.476
32 HB2 PHE 6 2HB PHE 6 3.359 4.992 6.385
33 HB3 PHE 6 1HB PHE 6 4.130 3.449 6.713
34 HD1 PHE 6 1HD PHE 6 6.038 2.716 5.321
35 HD2 PHE 6 2HD PHE 6 4.331 6.593 4.928
36 HE1 PHE 6 1HE PHE 6 8.061 3.485 4.161
37 HE2 PHE 6 2HE PHE 6 6.349 7.361 3.755
38 HZ PHE 6 HZ PHE 6 8.215 5.812 3.369
39 H ARG 7 H ARG 7 0.219 3.327 4.794
40 HA ARG 7 HA ARG 7 -0.164 2.108 7.395
41 HB2 ARG 7 2HB ARG 7 -2.208 3.003 5.350
42 HB3 ARG 7 1HB ARG 7 -2.609 2.325 6.918
43 HG2 ARG 7 2HG ARG 7 -1.197 4.934 6.377
44 HG3 ARG 7 1HG ARG 7 -2.829 4.715 7.007
45 HD2 ARG 7 2HD ARG 7 -0.253 3.942 8.372
46 HD3 ARG 7 1HD ARG 7 -1.293 5.295 8.795
47 HE ARG 7 HE ARG 7 -2.904 3.094 8.950
48 HH11 ARG 7 1HH1 ARG 7 0.142 4.052 10.506
49 HH12 ARG 7 2HH1 ARG 7 -0.185 3.203 11.943
50 HH21 ARG 7 1HH2 ARG 7 -3.312 1.923 10.910
51 HH22 ARG 7 2HH2 ARG 7 -2.174 1.951 12.172
52 H LYS 8 H LYS 8 -1.258 0.157 7.724
53 HA LYS 8 HA LYS 8 -0.101 -1.878 6.186
54 HB2 LYS 8 2HB LYS 8 -2.201 -1.996 8.345
55 HB3 LYS 8 1HB LYS 8 -1.676 -3.428 7.489
56 HG2 LYS 8 2HG LYS 8 -0.476 -3.338 9.544
57 HG3 LYS 8 1HG LYS 8 0.656 -2.976 8.252
58 HD2 LYS 8 2HD LYS 8 1.106 -1.486 10.079
59 HD3 LYS 8 1HD LYS 8 0.362 -0.544 8.792
60 HE2 LYS 8 2HE LYS 8 -0.569 0.084 10.950
61 HE3 LYS 8 1HE LYS 8 -1.796 -0.680 9.954
62 HZ1 LYS 8 1HZ LYS 8 -1.488 -2.738 11.216
63 HZ2 LYS 8 2HZ LYS 8 -1.893 -1.454 12.207
64 HZ3 LYS 8 3HZ LYS 8 -0.316 -1.993 12.181
65 H CYS 9 H CYS 9 -0.879 -3.319 4.742
66 HA CYS 9 HA CYS 9 -3.358 -2.444 3.433
67 HB2 CYS 9 2HB CYS 9 -2.304 -3.202 1.347
68 HB3 CYS 9 1HB CYS 9 -1.429 -1.880 2.119
69 H ILE 10 H ILE 10 -4.326 -4.122 2.059
70 HA ILE 10 HA ILE 10 -4.071 -6.795 3.196
71 HB ILE 10 HB ILE 10 -6.350 -5.567 1.565
72 HG12 ILE 10 2HG1 ILE 10 -7.745 -6.065 3.646
73 HG13 ILE 10 1HG1 ILE 10 -6.230 -6.359 4.485
74 HG21 ILE 10 1HG2 ILE 10 -6.136 -8.336 2.710
75 HG22 ILE 10 2HG2 ILE 10 -6.106 -7.897 1.002
76 HG23 ILE 10 3HG2 ILE 10 -7.575 -7.659 1.949
77 HD11 ILE 10 1HD1 ILE 10 -7.054 -3.749 3.226
78 HD12 ILE 10 2HD1 ILE 10 -5.575 -4.048 4.136
79 HD13 ILE 10 3HD1 ILE 10 -7.141 -4.138 4.943
80 HA PRO 11 HA PRO 11 -1.713 -7.121 -0.610
81 HB2 PRO 11 2HB PRO 11 -1.132 -9.799 -0.409
82 HB3 PRO 11 1HB PRO 11 -0.244 -8.522 0.431
83 HG2 PRO 11 2HG PRO 11 -2.419 -10.305 1.440
84 HG3 PRO 11 1HG PRO 11 -0.926 -9.792 2.249
85 HD2 PRO 11 2HD PRO 11 -3.304 -8.684 2.805
86 HD3 PRO 11 1HD PRO 11 -1.807 -7.731 2.826
87 H ASP 12 H ASP 12 -4.487 -9.057 0.121
88 HA ASP 12 HA ASP 12 -4.653 -10.151 -2.576
89 HB2 ASP 12 2HB ASP 12 -5.295 -11.592 -0.722
90 HB3 ASP 12 1HB ASP 12 -6.504 -10.428 -0.200
91 H ASN 13 H ASN 13 -5.662 -7.321 -1.013
92 HA ASN 13 HA ASN 13 -6.884 -6.310 -3.272
93 HB2 ASN 13 2HB ASN 13 -9.234 -5.925 -2.454
94 HB3 ASN 13 1HB ASN 13 -8.881 -7.613 -2.758
95 HD21 ASN 13 1HD2 ASN 13 -8.840 -9.053 -0.986
96 HD22 ASN 13 2HD2 ASN 13 -9.506 -8.602 0.540
97 H ASP 14 H ASP 14 -5.292 -4.911 -2.863
98 HA ASP 14 HA ASP 14 -5.419 -3.393 -0.441
99 HB2 ASP 14 2HB ASP 14 -3.358 -2.301 -1.215
100 HB3 ASP 14 1HB ASP 14 -3.250 -4.058 -1.198
101 H LYS 15 H LYS 15 -6.368 -1.623 -0.185
102 HA LYS 15 HA LYS 15 -7.325 -0.203 -2.561
103 HB2 LYS 15 2HB LYS 15 -8.633 -0.306 0.167
104 HB3 LYS 15 1HB LYS 15 -9.292 0.440 -1.283
105 HG2 LYS 15 2HG LYS 15 -9.480 -1.741 -2.346
106 HG3 LYS 15 1HG LYS 15 -8.757 -2.508 -0.935
107 HD2 LYS 15 2HD LYS 15 -10.672 -1.600 0.412
108 HD3 LYS 15 1HD LYS 15 -11.411 -1.089 -1.106
109 HE2 LYS 15 2HE LYS 15 -10.683 -3.927 -0.352
110 HE3 LYS 15 1HE LYS 15 -12.305 -3.249 -0.369
111 HZ1 LYS 15 1HZ LYS 15 -10.536 -3.565 -2.727
112 HZ2 LYS 15 2HZ LYS 15 -12.098 -2.944 -2.758
113 HZ3 LYS 15 3HZ LYS 15 -11.845 -4.551 -2.335
114 H CYS 16 H CYS 16 -5.540 1.086 -2.665
115 HA CYS 16 HA CYS 16 -5.417 3.227 -0.758
116 HB2 CYS 16 2HB CYS 16 -3.015 1.567 -1.665
117 HB3 CYS 16 1HB CYS 16 -2.891 3.119 -0.856
118 H CYS 17 H CYS 17 -3.814 4.924 -1.911
119 HA CYS 17 HA CYS 17 -5.072 5.534 -4.361
120 HB2 CYS 17 2HB CYS 17 -2.583 6.775 -3.181
121 HB3 CYS 17 1HB CYS 17 -3.603 7.473 -4.432
122 H ARG 18 H ARG 18 -4.633 3.691 -5.630
123 HA ARG 18 HA ARG 18 -2.025 2.994 -6.500
124 HB2 ARG 18 2HB ARG 18 -4.007 1.475 -6.641
125 HB3 ARG 18 1HB ARG 18 -4.692 2.516 -7.876
126 HG2 ARG 18 2HG ARG 18 -2.733 2.009 -9.318
127 HG3 ARG 18 1HG ARG 18 -2.170 0.884 -8.083
128 HD2 ARG 18 2HD ARG 18 -3.327 -0.297 -9.852
129 HD3 ARG 18 1HD ARG 18 -4.234 -0.417 -8.343
130 HE ARG 18 HE ARG 18 -5.459 1.625 -9.402
131 HH11 ARG 18 1HH1 ARG 18 -4.404 -1.308 -11.090
132 HH12 ARG 18 2HH1 ARG 18 -5.640 -1.259 -12.242
133 HH21 ARG 18 1HH2 ARG 18 -7.168 1.669 -10.956
134 HH22 ARG 18 2HH2 ARG 18 -7.267 0.456 -12.159
135 HA PRO 19 HA PRO 19 -0.799 2.557 -7.993
136 HB2 PRO 19 2HB PRO 19 1.082 3.039 -9.819
137 HB3 PRO 19 1HB PRO 19 -0.509 2.426 -10.281
138 HG2 PRO 19 2HG PRO 19 0.658 5.093 -10.696
139 HG3 PRO 19 1HG PRO 19 -0.681 4.314 -11.551
140 HD2 PRO 19 2HD PRO 19 -0.772 6.222 -9.360
141 HD3 PRO 19 1HD PRO 19 -2.122 5.585 -10.322
142 H ASN 20 H ASN 20 -0.590 5.516 -6.886
143 HA ASN 20 HA ASN 20 2.245 5.923 -6.575
144 HB2 ASN 20 2HB ASN 20 0.529 7.775 -6.565
145 HB3 ASN 20 1HB ASN 20 0.015 7.192 -4.990
146 HD21 ASN 20 1HD2 ASN 20 2.487 8.809 -6.746
147 HD22 ASN 20 2HD2 ASN 20 3.399 9.355 -5.379
148 H LEU 21 H LEU 21 -0.366 4.781 -4.556
149 HA LEU 21 HA LEU 21 1.606 3.789 -2.621
150 HB2 LEU 21 2HB LEU 21 -1.285 4.561 -2.065
151 HB3 LEU 21 1HB LEU 21 -0.046 4.064 -0.919
152 HG LEU 21 HG LEU 21 0.259 6.579 -2.515
153 HD11 LEU 21 1HD1 LEU 21 -1.767 6.772 -1.154
154 HD12 LEU 21 2HD1 LEU 21 -0.465 7.765 -0.500
155 HD13 LEU 21 3HD1 LEU 21 -0.872 6.235 0.261
156 HD21 LEU 21 1HD2 LEU 21 2.268 5.602 -1.610
157 HD22 LEU 21 2HD2 LEU 21 1.524 5.503 -0.015
158 HD23 LEU 21 3HD2 LEU 21 1.848 7.075 -0.743
159 H VAL 22 H VAL 22 1.706 1.682 -2.656
160 HA VAL 22 HA VAL 22 -0.685 0.132 -3.324
161 HB VAL 22 HB VAL 22 0.760 0.482 -5.352
162 HG11 VAL 22 1HG1 VAL 22 2.939 0.445 -4.386
163 HG12 VAL 22 2HG1 VAL 22 2.819 -0.837 -5.593
164 HG13 VAL 22 3HG1 VAL 22 2.728 -1.228 -3.874
165 HG21 VAL 22 1HG2 VAL 22 -0.800 -1.373 -5.271
166 HG22 VAL 22 2HG2 VAL 22 0.407 -2.383 -4.474
167 HG23 VAL 22 3HG2 VAL 22 0.662 -1.843 -6.133
168 H CYS 23 H CYS 23 -0.541 -2.104 -2.605
169 HA CYS 23 HA CYS 23 0.535 -2.260 -0.000
170 HB2 CYS 23 2HB CYS 23 -1.517 -3.341 -0.626
171 HB3 CYS 23 1HB CYS 23 -0.663 -4.389 -1.755
172 H SER 24 H SER 24 2.631 -2.552 0.419
173 HA SER 24 HA SER 24 4.322 -4.115 -1.255
174 HB2 SER 24 2HB SER 24 5.190 -2.297 0.199
175 HB3 SER 24 1HB SER 24 4.629 -3.185 1.614
176 HG SER 24 HG SER 24 6.955 -3.358 0.589
177 H ARG 25 H ARG 25 4.005 -6.254 -1.327
178 HA ARG 25 HA ARG 25 2.361 -7.615 0.541
179 HB2 ARG 25 2HB ARG 25 4.153 -8.651 -1.644
180 HB3 ARG 25 1HB ARG 25 3.317 -9.728 -0.545
181 HG2 ARG 25 2HG ARG 25 2.111 -9.562 -2.609
182 HG3 ARG 25 1HG ARG 25 1.176 -8.816 -1.322
183 HD2 ARG 25 2HD ARG 25 1.806 -6.617 -2.099
184 HD3 ARG 25 1HD ARG 25 2.882 -7.324 -3.305
185 HE ARG 25 HE ARG 25 0.467 -8.442 -3.788
186 HH11 ARG 25 1HH1 ARG 25 1.510 -5.055 -3.597
187 HH12 ARG 25 2HH1 ARG 25 0.526 -4.552 -4.889
188 HH21 ARG 25 1HH2 ARG 25 -0.881 -7.733 -5.474
189 HH22 ARG 25 2HH2 ARG 25 -0.918 -6.102 -5.958
190 H LEU 26 H LEU 26 5.797 -7.318 0.184
191 HA LEU 26 HA LEU 26 6.444 -9.187 2.209
192 HB2 LEU 26 2HB LEU 26 8.037 -8.653 0.484
193 HB3 LEU 26 1HB LEU 26 8.062 -6.973 0.964
194 HG LEU 26 HG LEU 26 9.076 -7.646 3.126
195 HD11 LEU 26 1HD1 LEU 26 9.229 -10.374 1.862
196 HD12 LEU 26 2HD1 LEU 26 8.252 -9.920 3.259
197 HD13 LEU 26 3HD1 LEU 26 10.008 -9.889 3.365
198 HD21 LEU 26 1HD2 LEU 26 11.298 -8.133 2.226
199 HD22 LEU 26 2HD2 LEU 26 10.476 -6.884 1.289
200 HD23 LEU 26 3HD2 LEU 26 10.576 -8.531 0.667
201 H HIS 27 H HIS 27 6.188 -5.637 2.192
202 HA HIS 27 HA HIS 27 7.027 -5.522 4.955
203 HB2 HIS 27 2HB HIS 27 6.183 -3.331 3.052
204 HB3 HIS 27 1HB HIS 27 6.659 -3.042 4.716
205 HD1 HIS 27 1HD HIS 27 8.893 -1.899 4.496
206 HD2 HIS 27 2HD HIS 27 8.569 -5.205 2.007
207 HE1 HIS 27 1HE HIS 27 11.134 -2.135 3.362
208 H ARG 28 H ARG 28 4.049 -5.693 3.278
209 HA ARG 28 HA ARG 28 1.962 -5.996 3.960
210 HB2 ARG 28 2HB ARG 28 3.150 -5.873 6.715
211 HB3 ARG 28 1HB ARG 28 1.416 -5.952 6.484
212 HG2 ARG 28 2HG ARG 28 3.408 -7.993 5.500
213 HG3 ARG 28 1HG ARG 28 2.420 -8.143 6.953
214 HD2 ARG 28 2HD ARG 28 1.476 -8.052 4.082
215 HD3 ARG 28 1HD ARG 28 1.349 -9.390 5.219
216 HE ARG 28 HE ARG 28 -0.018 -6.882 5.849
217 HH11 ARG 28 1HH1 ARG 28 -0.326 -10.325 5.030
218 HH12 ARG 28 2HH1 ARG 28 -2.016 -10.344 5.247
219 HH21 ARG 28 1HH2 ARG 28 -2.298 -6.928 6.064
220 HH22 ARG 28 2HH2 ARG 28 -3.167 -8.376 5.869
221 H TRP 29 H TRP 29 3.261 -3.267 3.604
222 HA TRP 29 HA TRP 29 0.831 -1.905 4.393
223 HB2 TRP 29 2HB TRP 29 1.984 0.117 5.167
224 HB3 TRP 29 1HB TRP 29 2.385 -1.272 6.154
225 HD1 TRP 29 HD TRP 29 4.005 0.695 3.192
226 HE1 TRP 29 1HE TRP 29 6.542 0.817 3.625
227 HE3 TRP 29 3HE TRP 29 4.227 -2.064 7.488
228 HZ2 TRP 29 2HZ TRP 29 8.379 -0.114 5.548
229 HZ3 TRP 29 3HZ TRP 29 6.417 -2.392 8.563
230 HH2 TRP 29 HH TRP 29 8.444 -1.437 7.609
231 H CYS 30 H CYS 30 0.352 0.016 3.287
232 HA CYS 30 HA CYS 30 0.999 -0.120 0.513
233 HB2 CYS 30 2HB CYS 30 -0.718 1.637 2.198
234 HB3 CYS 30 1HB CYS 30 -0.409 2.126 0.549
235 H LYS 31 H LYS 31 2.883 0.426 -0.096
236 HA LYS 31 HA LYS 31 4.394 2.530 1.249
237 HB2 LYS 31 2HB LYS 31 6.312 1.590 0.023
238 HB3 LYS 31 1HB LYS 31 5.469 0.368 0.955
239 HG2 LYS 31 2HG LYS 31 4.429 -0.497 -1.023
240 HG3 LYS 31 1HG LYS 31 5.090 0.822 -1.990
241 HD2 LYS 31 2HD LYS 31 7.337 0.045 -1.581
242 HD3 LYS 31 1HD LYS 31 6.736 -1.211 -0.500
243 HE2 LYS 31 2HE LYS 31 5.516 -2.217 -2.364
244 HE3 LYS 31 1HE LYS 31 6.133 -0.966 -3.442
245 HZ1 LYS 31 1HZ LYS 31 8.378 -1.786 -2.996
246 HZ2 LYS 31 2HZ LYS 31 7.406 -2.971 -3.659
247 HZ3 LYS 31 3HZ LYS 31 7.768 -3.004 -2.016
248 H TYR 32 H TYR 32 5.806 3.840 -0.245
249 HA TYR 32 HA TYR 32 4.187 5.041 -2.349
250 HB2 TYR 32 2HB TYR 32 6.729 5.903 -0.952
251 HB3 TYR 32 1HB TYR 32 6.076 6.738 -2.350
252 HD1 TYR 32 1HD TYR 32 5.234 5.739 1.136
253 HD2 TYR 32 2HD TYR 32 4.503 8.420 -2.081
254 HE1 TYR 32 1HE TYR 32 3.849 7.115 2.604
255 HE2 TYR 32 2HE TYR 32 3.118 9.810 -0.622
256 HH TYR 32 HH TYR 32 1.824 9.591 1.455
257 H VAL 33 H VAL 33 4.566 4.603 -4.416
258 HA VAL 33 HA VAL 33 7.228 3.794 -5.202
259 HB VAL 33 HB VAL 33 6.169 2.205 -6.880
260 HG11 VAL 33 1HG1 VAL 33 5.912 0.360 -5.290
261 HG12 VAL 33 2HG1 VAL 33 5.823 1.520 -3.963
262 HG13 VAL 33 3HG1 VAL 33 7.310 1.362 -4.897
263 HG21 VAL 33 1HG2 VAL 33 3.887 3.042 -6.754
264 HG22 VAL 33 2HG2 VAL 33 3.786 2.535 -5.070
265 HG23 VAL 33 3HG2 VAL 33 3.946 1.326 -6.344
266 H PHE 34 H PHE 34 7.442 3.928 -7.534
267 HA PHE 34 HA PHE 34 5.749 5.938 -8.774
268 HB2 PHE 34 2HB PHE 34 7.738 7.122 -7.832
269 HB3 PHE 34 1HB PHE 34 8.777 6.046 -8.758
270 HD1 PHE 34 1HD PHE 34 9.145 6.388 -11.092
271 HD2 PHE 34 2HD PHE 34 6.340 8.784 -8.983
272 HE1 PHE 34 1HE PHE 34 9.026 7.916 -13.004
273 HE2 PHE 34 2HE PHE 34 6.213 10.320 -10.897
274 HZ PHE 34 HZ PHE 34 7.558 9.886 -12.912
Start of MODEL 14
1 H1 ASP 1 1HT ASP 1 -5.867 14.834 2.170
2 H2 ASP 1 2HT ASP 1 -7.081 13.673 1.849
3 H3 ASP 1 3HT ASP 1 -6.293 14.425 0.591
4 HA ASP 1 HA ASP 1 -4.260 13.372 1.041
5 HB2 ASP 1 2HB ASP 1 -5.753 12.089 3.349
6 HB3 ASP 1 1HB ASP 1 -4.213 11.514 2.738
7 H CYS 2 H CYS 2 -4.008 10.815 0.919
8 HA CYS 2 HA CYS 2 -6.293 9.671 -0.459
9 HB2 CYS 2 2HB CYS 2 -4.724 10.577 -2.163
10 HB3 CYS 2 1HB CYS 2 -3.405 9.696 -1.412
11 H LEU 3 H LEU 3 -6.206 7.303 -0.318
12 HA LEU 3 HA LEU 3 -5.215 6.492 2.203
13 HB2 LEU 3 2HB LEU 3 -6.404 4.877 -0.015
14 HB3 LEU 3 1HB LEU 3 -6.021 4.237 1.568
15 HG LEU 3 HG LEU 3 -8.057 6.355 0.940
16 HD11 LEU 3 1HD1 LEU 3 -8.733 4.116 0.261
17 HD12 LEU 3 2HD1 LEU 3 -9.673 4.664 1.650
18 HD13 LEU 3 3HD1 LEU 3 -8.363 3.505 1.873
19 HD21 LEU 3 1HD2 LEU 3 -8.696 6.153 3.315
20 HD22 LEU 3 2HD2 LEU 3 -7.070 6.790 3.115
21 HD23 LEU 3 3HD2 LEU 3 -7.304 5.104 3.587
22 H GLY 4 H GLY 4 -3.557 5.427 2.756
23 HA2 GLY 4 2HA GLY 4 -1.932 3.645 1.915
24 HA3 GLY 4 1HA GLY 4 -1.487 4.902 0.760
25 H ALA 5 H ALA 5 0.603 5.149 1.573
26 HA ALA 5 HA ALA 5 2.200 6.112 2.769
27 HB1 ALA 5 1HB ALA 5 0.043 7.614 4.264
28 HB2 ALA 5 2HB ALA 5 0.741 8.114 2.724
29 HB3 ALA 5 3HB ALA 5 1.752 8.044 4.167
30 H PHE 6 H PHE 6 2.154 3.768 3.480
31 HA PHE 6 HA PHE 6 3.018 2.373 4.987
32 HB2 PHE 6 2HB PHE 6 3.073 4.743 6.863
33 HB3 PHE 6 1HB PHE 6 3.793 3.177 7.213
34 HD1 PHE 6 1HD PHE 6 5.636 2.349 5.669
35 HD2 PHE 6 2HD PHE 6 4.259 6.379 5.676
36 HE1 PHE 6 1HE PHE 6 7.716 3.067 4.583
37 HE2 PHE 6 2HE PHE 6 6.339 7.093 4.587
38 HZ PHE 6 HZ PHE 6 8.067 5.443 4.039
39 H ARG 7 H ARG 7 0.064 3.137 4.896
40 HA ARG 7 HA ARG 7 -0.875 2.208 7.462
41 HB2 ARG 7 2HB ARG 7 -2.381 2.567 4.853
42 HB3 ARG 7 1HB ARG 7 -3.128 2.158 6.386
43 HG2 ARG 7 2HG ARG 7 -1.675 4.722 5.743
44 HG3 ARG 7 1HG ARG 7 -3.419 4.513 5.852
45 HD2 ARG 7 2HD ARG 7 -1.447 4.147 8.112
46 HD3 ARG 7 1HD ARG 7 -2.492 5.540 7.866
47 HE ARG 7 HE ARG 7 -4.210 3.448 7.936
48 HH11 ARG 7 1HH1 ARG 7 -1.772 4.714 10.188
49 HH12 ARG 7 2HH1 ARG 7 -2.555 4.092 11.567
50 HH21 ARG 7 1HH2 ARG 7 -5.249 2.603 9.860
51 HH22 ARG 7 2HH2 ARG 7 -4.540 2.909 11.382
52 H LYS 8 H LYS 8 -1.278 0.175 8.038
53 HA LYS 8 HA LYS 8 -0.320 -1.940 6.401
54 HB2 LYS 8 2HB LYS 8 -1.801 -2.005 9.038
55 HB3 LYS 8 1HB LYS 8 -1.060 -3.406 8.276
56 HG2 LYS 8 2HG LYS 8 1.133 -2.315 8.422
57 HG3 LYS 8 1HG LYS 8 0.381 -0.934 9.219
58 HD2 LYS 8 2HD LYS 8 -0.329 -2.394 11.053
59 HD3 LYS 8 1HD LYS 8 0.429 -3.771 10.251
60 HE2 LYS 8 2HE LYS 8 1.845 -1.289 11.244
61 HE3 LYS 8 1HE LYS 8 1.872 -2.870 12.018
62 HZ1 LYS 8 1HZ LYS 8 2.969 -3.759 10.025
63 HZ2 LYS 8 2HZ LYS 8 3.861 -2.519 10.735
64 HZ3 LYS 8 3HZ LYS 8 2.979 -2.203 9.344
65 H CYS 9 H CYS 9 -1.411 -3.458 5.279
66 HA CYS 9 HA CYS 9 -4.301 -3.181 4.968
67 HB2 CYS 9 2HB CYS 9 -3.720 -3.025 2.461
68 HB3 CYS 9 1HB CYS 9 -3.598 -1.574 3.466
69 H ILE 10 H ILE 10 -5.034 -4.773 3.275
70 HA ILE 10 HA ILE 10 -3.651 -7.304 3.526
71 HB ILE 10 HB ILE 10 -6.274 -6.592 2.146
72 HG12 ILE 10 2HG1 ILE 10 -5.838 -7.888 4.849
73 HG13 ILE 10 1HG1 ILE 10 -6.296 -6.208 4.609
74 HG21 ILE 10 1HG2 ILE 10 -5.115 -9.288 2.865
75 HG22 ILE 10 2HG2 ILE 10 -5.276 -8.624 1.238
76 HG23 ILE 10 3HG2 ILE 10 -6.717 -9.011 2.180
77 HD11 ILE 10 1HD1 ILE 10 -7.915 -8.612 3.808
78 HD12 ILE 10 2HD1 ILE 10 -8.390 -6.926 3.599
79 HD13 ILE 10 3HD1 ILE 10 -8.196 -7.595 5.220
80 HA PRO 11 HA PRO 11 -1.625 -5.987 -0.267
81 HB2 PRO 11 2HB PRO 11 -0.113 -8.212 -0.628
82 HB3 PRO 11 1HB PRO 11 0.299 -6.916 0.507
83 HG2 PRO 11 2HG PRO 11 -0.988 -9.565 1.020
84 HG3 PRO 11 1HG PRO 11 0.243 -8.718 1.975
85 HD2 PRO 11 2HD PRO 11 -2.375 -8.754 2.650
86 HD3 PRO 11 1HD PRO 11 -1.317 -7.375 3.013
87 H ASP 12 H ASP 12 -3.757 -8.550 0.027
88 HA ASP 12 HA ASP 12 -3.569 -9.224 -2.812
89 HB2 ASP 12 2HB ASP 12 -5.045 -10.583 -0.576
90 HB3 ASP 12 1HB ASP 12 -5.307 -10.996 -2.269
91 H ASN 13 H ASN 13 -5.150 -7.026 -1.025
92 HA ASN 13 HA ASN 13 -6.775 -6.203 -3.136
93 HB2 ASN 13 2HB ASN 13 -8.259 -8.074 -2.395
94 HB3 ASN 13 1HB ASN 13 -8.286 -7.399 -0.776
95 HD21 ASN 13 1HD2 ASN 13 -9.348 -6.958 -4.071
96 HD22 ASN 13 2HD2 ASN 13 -10.599 -5.824 -3.710
97 H ASP 14 H ASP 14 -5.315 -4.529 -2.526
98 HA ASP 14 HA ASP 14 -5.896 -3.237 0.000
99 HB2 ASP 14 2HB ASP 14 -3.995 -1.860 -0.335
100 HB3 ASP 14 1HB ASP 14 -3.549 -3.531 -0.642
101 H LYS 15 H LYS 15 -6.433 -1.154 0.212
102 HA LYS 15 HA LYS 15 -7.444 0.138 -2.172
103 HB2 LYS 15 2HB LYS 15 -9.159 1.206 -0.638
104 HB3 LYS 15 1HB LYS 15 -9.419 -0.480 -1.041
105 HG2 LYS 15 2HG LYS 15 -8.415 -1.097 1.162
106 HG3 LYS 15 1HG LYS 15 -8.329 0.621 1.553
107 HD2 LYS 15 2HD LYS 15 -10.863 -0.870 0.868
108 HD3 LYS 15 1HD LYS 15 -10.323 -0.495 2.504
109 HE2 LYS 15 2HE LYS 15 -10.470 1.858 2.057
110 HE3 LYS 15 1HE LYS 15 -10.845 1.555 0.367
111 HZ1 LYS 15 1HZ LYS 15 -12.572 0.698 2.628
112 HZ2 LYS 15 2HZ LYS 15 -12.916 0.592 0.976
113 HZ3 LYS 15 3HZ LYS 15 -12.805 2.091 1.721
114 H CYS 16 H CYS 16 -5.569 1.236 -2.475
115 HA CYS 16 HA CYS 16 -5.209 3.559 -0.894
116 HB2 CYS 16 2HB CYS 16 -3.050 1.520 -1.574
117 HB3 CYS 16 1HB CYS 16 -2.705 3.165 -1.051
118 H CYS 17 H CYS 17 -3.794 5.042 -2.318
119 HA CYS 17 HA CYS 17 -5.015 5.721 -4.616
120 HB2 CYS 17 2HB CYS 17 -2.024 5.915 -4.472
121 HB3 CYS 17 1HB CYS 17 -3.150 7.041 -5.215
122 H ARG 18 H ARG 18 -2.109 3.650 -4.615
123 HA ARG 18 HA ARG 18 -1.077 2.392 -6.056
124 HB2 ARG 18 2HB ARG 18 -2.937 0.921 -5.566
125 HB3 ARG 18 1HB ARG 18 -3.874 1.606 -6.888
126 HG2 ARG 18 2HG ARG 18 -2.303 0.724 -8.498
127 HG3 ARG 18 1HG ARG 18 -1.270 0.133 -7.204
128 HD2 ARG 18 2HD ARG 18 -3.032 -1.387 -6.482
129 HD3 ARG 18 1HD ARG 18 -4.082 -0.803 -7.776
130 HE ARG 18 HE ARG 18 -1.770 -1.565 -9.002
131 HH11 ARG 18 1HH1 ARG 18 -4.143 -3.254 -6.996
132 HH12 ARG 18 2HH1 ARG 18 -3.887 -4.763 -7.750
133 HH21 ARG 18 1HH2 ARG 18 -1.427 -3.624 -9.991
134 HH22 ARG 18 2HH2 ARG 18 -2.331 -4.976 -9.498
135 HA PRO 19 HA PRO 19 0.291 1.617 -7.179
136 HB2 PRO 19 2HB PRO 19 2.484 2.547 -8.744
137 HB3 PRO 19 1HB PRO 19 1.613 1.025 -8.911
138 HG2 PRO 19 2HG PRO 19 1.586 3.048 -10.790
139 HG3 PRO 19 1HG PRO 19 0.340 1.801 -10.627
140 HD2 PRO 19 2HD PRO 19 0.340 4.621 -9.615
141 HD3 PRO 19 1HD PRO 19 -0.981 3.695 -10.368
142 H ASN 20 H ASN 20 0.206 4.961 -7.391
143 HA ASN 20 HA ASN 20 2.504 6.057 -6.368
144 HB2 ASN 20 2HB ASN 20 -0.285 6.790 -5.440
145 HB3 ASN 20 1HB ASN 20 1.142 7.814 -5.365
146 HD21 ASN 20 1HD2 ASN 20 1.853 8.817 -7.223
147 HD22 ASN 20 2HD2 ASN 20 0.924 8.842 -8.679
148 H LEU 21 H LEU 21 -0.179 4.832 -4.479
149 HA LEU 21 HA LEU 21 1.672 4.009 -2.350
150 HB2 LEU 21 2HB LEU 21 -1.216 4.817 -1.835
151 HB3 LEU 21 1HB LEU 21 0.072 4.472 -0.704
152 HG LEU 21 HG LEU 21 0.149 6.936 -2.439
153 HD11 LEU 21 1HD1 LEU 21 -0.519 6.705 0.492
154 HD12 LEU 21 2HD1 LEU 21 -1.675 7.071 -0.790
155 HD13 LEU 21 3HD1 LEU 21 -0.363 8.195 -0.438
156 HD21 LEU 21 1HD2 LEU 21 1.803 6.018 -0.111
157 HD22 LEU 21 2HD2 LEU 21 1.935 7.577 -0.923
158 HD23 LEU 21 3HD2 LEU 21 2.310 6.093 -1.798
159 H VAL 22 H VAL 22 1.584 1.846 -2.333
160 HA VAL 22 HA VAL 22 -0.975 0.556 -2.763
161 HB VAL 22 HB VAL 22 0.058 0.729 -5.033
162 HG11 VAL 22 1HG1 VAL 22 1.996 -0.628 -5.625
163 HG12 VAL 22 2HG1 VAL 22 2.228 -1.014 -3.919
164 HG13 VAL 22 3HG1 VAL 22 2.380 0.653 -4.477
165 HG21 VAL 22 1HG2 VAL 22 -0.158 -2.085 -3.985
166 HG22 VAL 22 2HG2 VAL 22 -0.210 -1.627 -5.689
167 HG23 VAL 22 3HG2 VAL 22 -1.484 -1.092 -4.591
168 H CYS 23 H CYS 23 -1.055 -1.536 -1.950
169 HA CYS 23 HA CYS 23 0.576 -1.872 0.373
170 HB2 CYS 23 2HB CYS 23 -1.894 -2.431 0.005
171 HB3 CYS 23 1HB CYS 23 -1.305 -3.904 -0.757
172 H SER 24 H SER 24 2.611 -2.444 0.038
173 HA SER 24 HA SER 24 3.514 -4.184 -1.989
174 HB2 SER 24 2HB SER 24 4.991 -2.577 -0.862
175 HB3 SER 24 1HB SER 24 4.680 -3.378 0.664
176 HG SER 24 HG SER 24 6.098 -4.417 -1.565
177 H ARG 25 H ARG 25 3.564 -6.395 -1.980
178 HA ARG 25 HA ARG 25 2.268 -7.813 0.155
179 HB2 ARG 25 2HB ARG 25 2.780 -9.862 -1.137
180 HB3 ARG 25 1HB ARG 25 1.990 -8.634 -2.114
181 HG2 ARG 25 2HG ARG 25 4.127 -8.019 -3.084
182 HG3 ARG 25 1HG ARG 25 4.939 -9.241 -2.098
183 HD2 ARG 25 2HD ARG 25 2.774 -9.771 -4.103
184 HD3 ARG 25 1HD ARG 25 4.500 -9.941 -4.434
185 HE ARG 25 HE ARG 25 4.185 -11.545 -2.333
186 HH11 ARG 25 1HH1 ARG 25 2.197 -11.225 -5.250
187 HH12 ARG 25 2HH1 ARG 25 1.800 -12.872 -5.342
188 HH21 ARG 25 1HH2 ARG 25 3.679 -13.802 -2.455
189 HH22 ARG 25 2HH2 ARG 25 2.711 -14.402 -3.724
190 H LEU 26 H LEU 26 5.465 -6.967 -0.632
191 HA LEU 26 HA LEU 26 6.703 -8.947 1.032
192 HB2 LEU 26 2HB LEU 26 7.821 -8.040 -0.961
193 HB3 LEU 26 1HB LEU 26 7.832 -6.449 -0.231
194 HG LEU 26 HG LEU 26 9.324 -7.319 1.553
195 HD11 LEU 26 1HD1 LEU 26 9.366 -9.812 -0.142
196 HD12 LEU 26 2HD1 LEU 26 8.719 -9.668 1.493
197 HD13 LEU 26 3HD1 LEU 26 10.447 -9.475 1.207
198 HD21 LEU 26 1HD2 LEU 26 10.323 -7.707 -1.265
199 HD22 LEU 26 2HD2 LEU 26 11.324 -7.426 0.160
200 HD23 LEU 26 3HD2 LEU 26 10.222 -6.172 -0.405
201 H HIS 27 H HIS 27 5.943 -5.501 1.257
202 HA HIS 27 HA HIS 27 7.063 -5.399 3.934
203 HB2 HIS 27 2HB HIS 27 5.722 -3.210 2.311
204 HB3 HIS 27 1HB HIS 27 6.446 -2.985 3.887
205 HD1 HIS 27 1HD HIS 27 8.890 -2.303 3.882
206 HD2 HIS 27 2HD HIS 27 7.712 -3.986 0.268
207 HE1 HIS 27 1HE HIS 27 10.814 -1.966 2.305
208 H ARG 28 H ARG 28 3.917 -5.579 2.450
209 HA ARG 28 HA ARG 28 1.890 -5.969 3.148
210 HB2 ARG 28 2HB ARG 28 3.112 -6.485 5.864
211 HB3 ARG 28 1HB ARG 28 1.401 -6.691 5.518
212 HG2 ARG 28 2HG ARG 28 2.062 -8.319 3.724
213 HG3 ARG 28 1HG ARG 28 3.709 -8.218 4.345
214 HD2 ARG 28 2HD ARG 28 1.289 -9.036 5.942
215 HD3 ARG 28 1HD ARG 28 2.454 -10.152 5.243
216 HE ARG 28 HE ARG 28 4.086 -8.799 6.720
217 HH11 ARG 28 1HH1 ARG 28 0.729 -9.568 7.638
218 HH12 ARG 28 2HH1 ARG 28 1.095 -9.778 9.282
219 HH21 ARG 28 1HH2 ARG 28 4.551 -9.136 9.015
220 HH22 ARG 28 2HH2 ARG 28 3.271 -9.521 10.079
221 H TRP 29 H TRP 29 3.019 -3.324 3.156
222 HA TRP 29 HA TRP 29 0.681 -2.091 4.299
223 HB2 TRP 29 2HB TRP 29 1.938 -0.166 5.222
224 HB3 TRP 29 1HB TRP 29 2.316 -1.658 6.059
225 HD1 TRP 29 HD TRP 29 3.933 0.491 3.207
226 HE1 TRP 29 1HE TRP 29 6.501 0.473 3.591
227 HE3 TRP 29 3HE TRP 29 4.148 -2.606 7.243
228 HZ2 TRP 29 2HZ TRP 29 8.323 -0.683 5.352
229 HZ3 TRP 29 3HZ TRP 29 6.352 -3.120 8.223
230 HH2 TRP 29 HH TRP 29 8.389 -2.176 7.291
231 H CYS 30 H CYS 30 0.170 -0.072 3.340
232 HA CYS 30 HA CYS 30 0.853 0.045 0.561
233 HB2 CYS 30 2HB CYS 30 -0.740 1.873 2.326
234 HB3 CYS 30 1HB CYS 30 -0.472 2.210 0.626
235 H LYS 31 H LYS 31 2.797 0.518 0.098
236 HA LYS 31 HA LYS 31 4.100 2.690 1.540
237 HB2 LYS 31 2HB LYS 31 6.187 1.770 0.817
238 HB3 LYS 31 1HB LYS 31 5.229 0.482 1.496
239 HG2 LYS 31 2HG LYS 31 4.705 -0.338 -0.725
240 HG3 LYS 31 1HG LYS 31 5.595 1.005 -1.446
241 HD2 LYS 31 2HD LYS 31 6.790 -1.083 0.381
242 HD3 LYS 31 1HD LYS 31 6.911 -1.097 -1.373
243 HE2 LYS 31 2HE LYS 31 7.973 1.117 0.407
244 HE3 LYS 31 1HE LYS 31 8.937 -0.202 -0.210
245 HZ1 LYS 31 1HZ LYS 31 7.609 1.922 -1.860
246 HZ2 LYS 31 2HZ LYS 31 8.394 0.579 -2.485
247 HZ3 LYS 31 3HZ LYS 31 9.254 1.694 -1.609
248 H TYR 32 H TYR 32 5.652 3.921 0.136
249 HA TYR 32 HA TYR 32 4.208 5.045 -2.069
250 HB2 TYR 32 2HB TYR 32 6.881 5.693 -0.795
251 HB3 TYR 32 1HB TYR 32 6.232 6.558 -2.177
252 HD1 TYR 32 1HD TYR 32 4.808 8.365 -1.865
253 HD2 TYR 32 2HD TYR 32 5.474 5.699 1.378
254 HE1 TYR 32 1HE TYR 32 3.573 9.866 -0.383
255 HE2 TYR 32 2HE TYR 32 4.239 7.184 2.864
256 HH TYR 32 HH TYR 32 3.668 9.607 2.969
257 H VAL 33 H VAL 33 4.446 4.391 -4.065
258 HA VAL 33 HA VAL 33 6.955 3.091 -4.780
259 HB VAL 33 HB VAL 33 4.211 2.444 -5.916
260 HG11 VAL 33 1HG1 VAL 33 5.978 2.256 -7.597
261 HG12 VAL 33 2HG1 VAL 33 5.355 0.667 -7.154
262 HG13 VAL 33 3HG1 VAL 33 6.906 1.215 -6.516
263 HG21 VAL 33 1HG2 VAL 33 6.041 0.817 -4.158
264 HG22 VAL 33 2HG2 VAL 33 4.539 0.241 -4.879
265 HG23 VAL 33 3HG2 VAL 33 4.503 1.536 -3.680
266 H PHE 34 H PHE 34 7.964 4.672 -5.621
267 HA PHE 34 HA PHE 34 6.659 6.393 -7.545
268 HB2 PHE 34 2HB PHE 34 8.828 7.771 -7.185
269 HB3 PHE 34 1HB PHE 34 7.624 7.757 -5.908
270 HD1 PHE 34 1HD PHE 34 10.982 6.681 -6.886
271 HD2 PHE 34 2HD PHE 34 8.063 6.615 -3.797
272 HE1 PHE 34 1HE PHE 34 12.683 5.952 -5.304
273 HE2 PHE 34 2HE PHE 34 9.762 5.874 -2.198
274 HZ PHE 34 HZ PHE 34 12.082 5.537 -2.940
Start of MODEL 15
1 H1 ASP 1 1HT ASP 1 -1.454 14.229 2.781
2 H2 ASP 1 2HT ASP 1 -3.043 14.212 2.142
3 H3 ASP 1 3HT ASP 1 -1.732 14.011 1.130
4 HA ASP 1 HA ASP 1 -1.187 11.928 2.048
5 HB2 ASP 1 2HB ASP 1 -2.527 10.872 3.752
6 HB3 ASP 1 1HB ASP 1 -2.078 12.456 4.371
7 H CYS 2 H CYS 2 -2.677 9.933 1.721
8 HA CYS 2 HA CYS 2 -5.095 10.321 0.301
9 HB2 CYS 2 2HB CYS 2 -3.013 10.593 -1.362
10 HB3 CYS 2 1HB CYS 2 -2.899 8.848 -1.179
11 H LEU 3 H LEU 3 -5.556 7.792 -0.434
12 HA LEU 3 HA LEU 3 -5.514 6.288 1.988
13 HB2 LEU 3 2HB LEU 3 -5.958 5.236 -0.770
14 HB3 LEU 3 1HB LEU 3 -6.513 4.524 0.717
15 HG LEU 3 HG LEU 3 -7.553 7.075 -0.497
16 HD11 LEU 3 1HD1 LEU 3 -9.618 5.801 -0.818
17 HD12 LEU 3 2HD1 LEU 3 -8.810 4.353 -0.215
18 HD13 LEU 3 3HD1 LEU 3 -8.266 5.107 -1.713
19 HD21 LEU 3 1HD2 LEU 3 -9.233 7.006 1.278
20 HD22 LEU 3 2HD2 LEU 3 -7.605 7.168 1.940
21 HD23 LEU 3 3HD2 LEU 3 -8.430 5.609 1.993
22 H GLY 4 H GLY 4 -3.854 5.260 2.693
23 HA2 GLY 4 2HA GLY 4 -2.384 3.263 1.804
24 HA3 GLY 4 1HA GLY 4 -1.609 4.595 0.952
25 H ALA 5 H ALA 5 -0.640 6.242 2.130
26 HA ALA 5 HA ALA 5 0.751 7.106 3.687
27 HB1 ALA 5 1HB ALA 5 -1.362 7.779 4.660
28 HB2 ALA 5 2HB ALA 5 -0.175 7.355 5.927
29 HB3 ALA 5 3HB ALA 5 -1.458 6.234 5.517
30 H PHE 6 H PHE 6 1.337 4.275 3.122
31 HA PHE 6 HA PHE 6 2.674 2.675 3.846
32 HB2 PHE 6 2HB PHE 6 4.554 3.886 4.278
33 HB3 PHE 6 1HB PHE 6 3.601 5.196 4.908
34 HD1 PHE 6 1HD PHE 6 3.251 5.397 7.304
35 HD2 PHE 6 2HD PHE 6 5.784 2.417 5.641
36 HE1 PHE 6 1HE PHE 6 4.378 5.121 9.506
37 HE2 PHE 6 2HE PHE 6 6.895 2.115 7.793
38 HZ PHE 6 HZ PHE 6 6.197 3.474 9.748
39 H ARG 7 H ARG 7 0.027 2.789 4.800
40 HA ARG 7 HA ARG 7 0.120 1.643 7.509
41 HB2 ARG 7 2HB ARG 7 -2.268 2.274 5.758
42 HB3 ARG 7 1HB ARG 7 -2.333 1.736 7.423
43 HG2 ARG 7 2HG ARG 7 -1.123 4.340 6.506
44 HG3 ARG 7 1HG ARG 7 -2.765 4.162 7.113
45 HD2 ARG 7 2HD ARG 7 -1.364 5.003 8.867
46 HD3 ARG 7 1HD ARG 7 -1.810 3.345 9.259
47 HE ARG 7 HE ARG 7 0.676 3.486 7.905
48 HH11 ARG 7 1HH1 ARG 7 -0.778 4.113 11.076
49 HH12 ARG 7 2HH1 ARG 7 0.621 3.689 11.952
50 HH21 ARG 7 1HH2 ARG 7 2.633 2.957 9.141
51 HH22 ARG 7 2HH2 ARG 7 2.572 3.070 10.833
52 H LYS 8 H LYS 8 -0.820 -0.413 7.926
53 HA LYS 8 HA LYS 8 -0.006 -2.411 6.155
54 HB2 LYS 8 2HB LYS 8 -1.820 -2.562 8.545
55 HB3 LYS 8 1HB LYS 8 -1.235 -3.972 7.674
56 HG2 LYS 8 2HG LYS 8 1.079 -3.319 8.202
57 HG3 LYS 8 1HG LYS 8 0.461 -1.943 9.115
58 HD2 LYS 8 2HD LYS 8 -0.166 -4.836 9.709
59 HD3 LYS 8 1HD LYS 8 1.055 -3.884 10.546
60 HE2 LYS 8 2HE LYS 8 -0.677 -2.336 11.318
61 HE3 LYS 8 1HE LYS 8 -1.904 -3.263 10.460
62 HZ1 LYS 8 1HZ LYS 8 -1.356 -5.167 11.882
63 HZ2 LYS 8 2HZ LYS 8 -1.889 -3.846 12.771
64 HZ3 LYS 8 3HZ LYS 8 -0.255 -4.213 12.742
65 H CYS 9 H CYS 9 -0.964 -3.611 4.715
66 HA CYS 9 HA CYS 9 -3.775 -3.073 4.071
67 HB2 CYS 9 2HB CYS 9 -3.029 -3.191 1.682
68 HB3 CYS 9 1HB CYS 9 -2.486 -1.761 2.557
69 H ILE 10 H ILE 10 -4.766 -4.775 2.870
70 HA ILE 10 HA ILE 10 -3.593 -7.394 3.287
71 HB ILE 10 HB ILE 10 -6.239 -6.609 2.003
72 HG12 ILE 10 2HG1 ILE 10 -5.709 -7.581 4.825
73 HG13 ILE 10 1HG1 ILE 10 -6.095 -5.925 4.383
74 HG21 ILE 10 1HG2 ILE 10 -6.864 -8.971 2.382
75 HG22 ILE 10 2HG2 ILE 10 -5.248 -9.289 3.013
76 HG23 ILE 10 3HG2 ILE 10 -5.461 -8.830 1.322
77 HD11 ILE 10 1HD1 ILE 10 -8.032 -7.082 5.288
78 HD12 ILE 10 2HD1 ILE 10 -7.897 -8.313 4.030
79 HD13 ILE 10 3HD1 ILE 10 -8.292 -6.650 3.597
80 HA PRO 11 HA PRO 11 -1.311 -6.801 -0.491
81 HB2 PRO 11 2HB PRO 11 -1.484 -9.758 -0.664
82 HB3 PRO 11 1HB PRO 11 -0.073 -8.702 -0.756
83 HG2 PRO 11 2HG PRO 11 -0.668 -10.114 1.428
84 HG3 PRO 11 1HG PRO 11 0.095 -8.509 1.528
85 HD2 PRO 11 2HD PRO 11 -2.673 -9.361 2.164
86 HD3 PRO 11 1HD PRO 11 -1.717 -8.011 2.810
87 H ASP 12 H ASP 12 -4.168 -8.829 -0.591
88 HA ASP 12 HA ASP 12 -4.308 -8.149 -3.462
89 HB2 ASP 12 2HB ASP 12 -5.621 -10.136 -3.920
90 HB3 ASP 12 1HB ASP 12 -4.116 -10.568 -3.130
91 H ASN 13 H ASN 13 -5.622 -7.115 -0.720
92 HA ASN 13 HA ASN 13 -8.211 -6.547 -2.016
93 HB2 ASN 13 2HB ASN 13 -7.822 -7.303 0.893
94 HB3 ASN 13 1HB ASN 13 -9.313 -6.656 0.231
95 HD21 ASN 13 1HD2 ASN 13 -9.171 -8.170 -2.249
96 HD22 ASN 13 2HD2 ASN 13 -9.465 -9.812 -1.830
97 H ASP 14 H ASP 14 -5.588 -5.134 -1.473
98 HA ASP 14 HA ASP 14 -6.041 -3.166 0.512
99 HB2 ASP 14 2HB ASP 14 -3.944 -2.237 -0.148
100 HB3 ASP 14 1HB ASP 14 -3.803 -3.977 -0.299
101 H LYS 15 H LYS 15 -6.676 -1.116 0.361
102 HA LYS 15 HA LYS 15 -7.412 -0.112 -2.271
103 HB2 LYS 15 2HB LYS 15 -8.878 0.374 0.336
104 HB3 LYS 15 1HB LYS 15 -9.243 1.163 -1.189
105 HG2 LYS 15 2HG LYS 15 -9.434 -1.807 -0.696
106 HG3 LYS 15 1HG LYS 15 -10.794 -0.683 -0.681
107 HD2 LYS 15 2HD LYS 15 -10.428 -0.148 -3.013
108 HD3 LYS 15 1HD LYS 15 -8.975 -1.146 -3.048
109 HE2 LYS 15 2HE LYS 15 -11.756 -2.155 -2.497
110 HE3 LYS 15 1HE LYS 15 -10.935 -2.249 -4.049
111 HZ1 LYS 15 1HZ LYS 15 -10.749 -4.321 -2.848
112 HZ2 LYS 15 2HZ LYS 15 -10.064 -3.595 -1.526
113 HZ3 LYS 15 3HZ LYS 15 -9.223 -3.654 -2.997
114 H CYS 16 H CYS 16 -5.447 0.886 -2.520
115 HA CYS 16 HA CYS 16 -5.098 3.234 -0.863
116 HB2 CYS 16 2HB CYS 16 -2.904 1.330 -1.816
117 HB3 CYS 16 1HB CYS 16 -2.635 2.883 -1.042
118 H CYS 17 H CYS 17 -3.986 4.934 -2.039
119 HA CYS 17 HA CYS 17 -5.153 5.275 -4.583
120 HB2 CYS 17 2HB CYS 17 -2.995 6.921 -3.248
121 HB3 CYS 17 1HB CYS 17 -3.978 7.416 -4.623
122 H ARG 18 H ARG 18 -4.476 3.904 -6.068
123 HA ARG 18 HA ARG 18 -1.625 3.580 -6.489
124 HB2 ARG 18 2HB ARG 18 -2.531 1.702 -8.098
125 HB3 ARG 18 1HB ARG 18 -2.426 1.444 -6.365
126 HG2 ARG 18 2HG ARG 18 -4.840 2.090 -6.224
127 HG3 ARG 18 1HG ARG 18 -4.874 2.081 -7.993
128 HD2 ARG 18 2HD ARG 18 -4.430 -0.195 -8.096
129 HD3 ARG 18 1HD ARG 18 -3.865 -0.268 -6.432
130 HE ARG 18 HE ARG 18 -6.667 0.107 -7.248
131 HH11 ARG 18 1HH1 ARG 18 -4.290 -0.927 -4.837
132 HH12 ARG 18 2HH1 ARG 18 -5.388 -1.838 -3.927
133 HH21 ARG 18 1HH2 ARG 18 -8.180 -1.093 -5.964
134 HH22 ARG 18 2HH2 ARG 18 -7.637 -1.945 -4.568
135 HA PRO 19 HA PRO 19 -0.536 2.408 -8.186
136 HB2 PRO 19 2HB PRO 19 1.375 2.862 -9.942
137 HB3 PRO 19 1HB PRO 19 -0.195 2.263 -10.503
138 HG2 PRO 19 2HG PRO 19 0.871 5.067 -10.532
139 HG3 PRO 19 1HG PRO 19 0.053 4.181 -11.829
140 HD2 PRO 19 2HD PRO 19 -1.198 5.955 -10.128
141 HD3 PRO 19 1HD PRO 19 -2.029 4.635 -10.977
142 H ASN 20 H ASN 20 -0.673 5.306 -7.193
143 HA ASN 20 HA ASN 20 1.979 6.267 -6.865
144 HB2 ASN 20 2HB ASN 20 -0.568 6.983 -5.403
145 HB3 ASN 20 1HB ASN 20 0.937 7.876 -5.291
146 HD21 ASN 20 1HD2 ASN 20 -0.051 9.729 -6.037
147 HD22 ASN 20 2HD2 ASN 20 -0.503 9.941 -7.684
148 H LEU 21 H LEU 21 -0.312 4.594 -4.786
149 HA LEU 21 HA LEU 21 1.851 3.939 -2.909
150 HB2 LEU 21 2HB LEU 21 -1.072 4.280 -2.216
151 HB3 LEU 21 1HB LEU 21 0.281 4.089 -1.121
152 HG LEU 21 HG LEU 21 -0.254 6.532 -2.813
153 HD11 LEU 21 1HD1 LEU 21 -1.796 6.267 -0.945
154 HD12 LEU 21 2HD1 LEU 21 -0.708 7.635 -0.739
155 HD13 LEU 21 3HD1 LEU 21 -0.420 6.144 0.155
156 HD21 LEU 21 1HD2 LEU 21 1.570 7.545 -1.560
157 HD22 LEU 21 2HD2 LEU 21 2.116 6.174 -2.526
158 HD23 LEU 21 3HD2 LEU 21 1.899 5.993 -0.783
159 H VAL 22 H VAL 22 2.136 1.807 -2.887
160 HA VAL 22 HA VAL 22 -0.130 0.151 -3.743
161 HB VAL 22 HB VAL 22 1.311 -1.386 -4.932
162 HG11 VAL 22 1HG1 VAL 22 2.049 0.010 -6.816
163 HG12 VAL 22 2HG1 VAL 22 1.833 1.443 -5.810
164 HG13 VAL 22 3HG1 VAL 22 0.441 0.455 -6.236
165 HG21 VAL 22 1HG2 VAL 22 3.344 -1.243 -3.616
166 HG22 VAL 22 2HG2 VAL 22 3.608 0.412 -4.148
167 HG23 VAL 22 3HG2 VAL 22 3.728 -0.912 -5.309
168 H CYS 23 H CYS 23 -0.178 -1.987 -2.938
169 HA CYS 23 HA CYS 23 0.683 -2.063 -0.206
170 HB2 CYS 23 2HB CYS 23 -1.569 -2.825 -0.941
171 HB3 CYS 23 1HB CYS 23 -0.800 -4.124 -1.841
172 H SER 24 H SER 24 2.841 -2.415 -0.040
173 HA SER 24 HA SER 24 4.153 -4.356 -1.635
174 HB2 SER 24 2HB SER 24 4.857 -2.639 0.689
175 HB3 SER 24 1HB SER 24 6.051 -3.686 -0.030
176 HG SER 24 HG SER 24 5.220 -2.626 -2.074
177 H ARG 25 H ARG 25 3.612 -6.413 -1.283
178 HA ARG 25 HA ARG 25 2.374 -7.581 0.810
179 HB2 ARG 25 2HB ARG 25 2.671 -8.436 -1.468
180 HB3 ARG 25 1HB ARG 25 4.339 -8.816 -1.084
181 HG2 ARG 25 2HG ARG 25 3.533 -10.323 0.661
182 HG3 ARG 25 1HG ARG 25 1.879 -9.956 0.132
183 HD2 ARG 25 2HD ARG 25 4.054 -11.221 -1.544
184 HD3 ARG 25 1HD ARG 25 2.631 -12.041 -0.903
185 HE ARG 25 HE ARG 25 1.666 -9.939 -2.391
186 HH11 ARG 25 1HH1 ARG 25 3.613 -12.804 -3.047
187 HH12 ARG 25 2HH1 ARG 25 3.120 -12.922 -4.675
188 HH21 ARG 25 1HH2 ARG 25 1.020 -10.104 -4.604
189 HH22 ARG 25 2HH2 ARG 25 1.634 -11.346 -5.592
190 H LEU 26 H LEU 26 5.895 -7.329 0.309
191 HA LEU 26 HA LEU 26 6.590 -9.049 2.456
192 HB2 LEU 26 2HB LEU 26 8.133 -8.516 0.597
193 HB3 LEU 26 1HB LEU 26 8.250 -6.872 1.182
194 HG LEU 26 HG LEU 26 9.279 -7.726 3.277
195 HD11 LEU 26 1HD1 LEU 26 9.260 -10.374 1.839
196 HD12 LEU 26 2HD1 LEU 26 8.371 -9.971 3.309
197 HD13 LEU 26 3HD1 LEU 26 10.132 -10.023 3.331
198 HD21 LEU 26 1HD2 LEU 26 10.677 -8.514 0.724
199 HD22 LEU 26 2HD2 LEU 26 11.453 -8.262 2.286
200 HD23 LEU 26 3HD2 LEU 26 10.674 -6.911 1.462
201 H HIS 27 H HIS 27 5.977 -5.672 2.227
202 HA HIS 27 HA HIS 27 6.912 -5.119 4.931
203 HB2 HIS 27 2HB HIS 27 5.634 -3.358 2.821
204 HB3 HIS 27 1HB HIS 27 6.152 -2.785 4.398
205 HD1 HIS 27 1HD HIS 27 8.414 -1.726 4.355
206 HD2 HIS 27 2HD HIS 27 7.980 -4.547 1.336
207 HE1 HIS 27 1HE HIS 27 10.552 -1.657 3.031
208 H ARG 28 H ARG 28 4.064 -5.574 3.100
209 HA ARG 28 HA ARG 28 1.950 -5.919 3.461
210 HB2 ARG 28 2HB ARG 28 2.737 -6.225 6.360
211 HB3 ARG 28 1HB ARG 28 1.068 -6.341 5.825
212 HG2 ARG 28 2HG ARG 28 1.744 -8.169 4.285
213 HG3 ARG 28 1HG ARG 28 3.356 -8.106 4.995
214 HD2 ARG 28 2HD ARG 28 2.449 -8.677 7.168
215 HD3 ARG 28 1HD ARG 28 0.811 -8.634 6.515
216 HE ARG 28 HE ARG 28 2.554 -10.452 5.146
217 HH11 ARG 28 1HH1 ARG 28 0.214 -10.117 7.768
218 HH12 ARG 28 2HH1 ARG 28 -0.050 -11.779 7.957
219 HH21 ARG 28 1HH2 ARG 28 2.221 -12.723 5.385
220 HH22 ARG 28 2HH2 ARG 28 1.159 -13.333 6.572
221 H TRP 29 H TRP 29 3.186 -3.355 3.397
222 HA TRP 29 HA TRP 29 0.838 -1.953 4.275
223 HB2 TRP 29 2HB TRP 29 2.070 -0.028 5.128
224 HB3 TRP 29 1HB TRP 29 2.437 -1.470 6.041
225 HD1 TRP 29 HD TRP 29 4.191 0.230 2.951
226 HE1 TRP 29 1HE TRP 29 6.679 0.501 3.542
227 HE3 TRP 29 3HE TRP 29 4.169 -1.856 7.625
228 HZ2 TRP 29 2HZ TRP 29 8.411 -0.095 5.692
229 HZ3 TRP 29 3HZ TRP 29 6.287 -1.966 8.875
230 HH2 TRP 29 HH TRP 29 8.360 -1.103 7.920
231 H CYS 30 H CYS 30 0.382 -0.065 3.198
232 HA CYS 30 HA CYS 30 1.112 -0.124 0.417
233 HB2 CYS 30 2HB CYS 30 -0.662 1.600 2.078
234 HB3 CYS 30 1HB CYS 30 -0.370 2.022 0.412
235 H LYS 31 H LYS 31 3.080 0.490 -0.004
236 HA LYS 31 HA LYS 31 4.321 2.584 1.569
237 HB2 LYS 31 2HB LYS 31 6.380 1.846 0.688
238 HB3 LYS 31 1HB LYS 31 5.437 0.399 0.888
239 HG2 LYS 31 2HG LYS 31 4.993 0.233 -1.439
240 HG3 LYS 31 1HG LYS 31 5.680 1.832 -1.739
241 HD2 LYS 31 2HD LYS 31 7.868 1.024 -0.992
242 HD3 LYS 31 1HD LYS 31 7.179 -0.576 -0.715
243 HE2 LYS 31 2HE LYS 31 6.603 -0.711 -3.107
244 HE3 LYS 31 1HE LYS 31 7.359 0.860 -3.362
245 HZ1 LYS 31 1HZ LYS 31 8.691 -1.611 -2.433
246 HZ2 LYS 31 2HZ LYS 31 9.441 -0.116 -2.520
247 HZ3 LYS 31 3HZ LYS 31 8.921 -0.863 -3.930
248 H TYR 32 H TYR 32 5.613 4.200 0.377
249 HA TYR 32 HA TYR 32 4.025 5.454 -1.687
250 HB2 TYR 32 2HB TYR 32 6.619 6.308 -0.366
251 HB3 TYR 32 1HB TYR 32 5.612 7.312 -1.400
252 HD1 TYR 32 1HD TYR 32 3.422 8.091 -0.575
253 HD2 TYR 32 2HD TYR 32 6.124 6.023 1.965
254 HE1 TYR 32 1HE TYR 32 2.174 8.880 1.368
255 HE2 TYR 32 2HE TYR 32 4.893 6.803 3.929
256 HH TYR 32 HH TYR 32 3.406 8.619 4.532
257 H VAL 33 H VAL 33 4.490 5.038 -3.793
258 HA VAL 33 HA VAL 33 6.714 3.339 -4.316
259 HB VAL 33 HB VAL 33 4.838 4.577 -6.349
260 HG11 VAL 33 1HG1 VAL 33 6.730 2.229 -6.557
261 HG12 VAL 33 2HG1 VAL 33 6.958 3.797 -7.323
262 HG13 VAL 33 3HG1 VAL 33 5.618 2.760 -7.818
263 HG21 VAL 33 1HG2 VAL 33 4.794 1.882 -5.016
264 HG22 VAL 33 2HG2 VAL 33 3.718 2.406 -6.312
265 HG23 VAL 33 3HG2 VAL 33 3.649 3.195 -4.733
266 H PHE 34 H PHE 34 8.553 4.245 -4.035
267 HA PHE 34 HA PHE 34 9.278 6.472 -5.773
268 HB2 PHE 34 2HB PHE 34 10.587 5.441 -3.236
269 HB3 PHE 34 1HB PHE 34 11.317 6.633 -4.295
270 HD1 PHE 34 1HD PHE 34 10.074 8.833 -4.608
271 HD2 PHE 34 2HD PHE 34 9.183 6.075 -1.503
272 HE1 PHE 34 1HE PHE 34 9.019 10.640 -3.312
273 HE2 PHE 34 2HE PHE 34 8.122 7.877 -0.207
274 HZ PHE 34 HZ PHE 34 8.040 10.161 -1.114
Start of MODEL 16
1 H1 ASP 1 1HT ASP 1 -0.416 12.110 3.304
2 H2 ASP 1 2HT ASP 1 -1.260 13.404 2.664
3 H3 ASP 1 3HT ASP 1 0.410 13.242 2.335
4 HA ASP 1 HA ASP 1 -0.851 12.508 0.444
5 HB2 ASP 1 2HB ASP 1 -0.146 10.128 0.323
6 HB3 ASP 1 1HB ASP 1 1.139 11.160 0.925
7 H CYS 2 H CYS 2 -2.238 10.562 -0.298
8 HA CYS 2 HA CYS 2 -4.701 10.728 1.199
9 HB2 CYS 2 2HB CYS 2 -5.582 9.555 -0.852
10 HB3 CYS 2 1HB CYS 2 -4.792 11.088 -1.191
11 H LEU 3 H LEU 3 -5.622 8.023 0.221
12 HA LEU 3 HA LEU 3 -4.878 6.455 2.412
13 HB2 LEU 3 2HB LEU 3 -5.847 5.489 -0.233
14 HB3 LEU 3 1HB LEU 3 -5.867 4.569 1.243
15 HG LEU 3 HG LEU 3 -7.564 7.005 0.678
16 HD11 LEU 3 1HD1 LEU 3 -8.300 4.995 -0.480
17 HD12 LEU 3 2HD1 LEU 3 -9.425 5.441 0.801
18 HD13 LEU 3 3HD1 LEU 3 -8.298 4.107 1.044
19 HD21 LEU 3 1HD2 LEU 3 -6.911 6.945 3.028
20 HD22 LEU 3 2HD2 LEU 3 -7.416 5.259 3.131
21 HD23 LEU 3 3HD2 LEU 3 -8.615 6.519 2.846
22 H GLY 4 H GLY 4 -3.119 5.631 2.802
23 HA2 GLY 4 2HA GLY 4 -1.541 3.881 1.451
24 HA3 GLY 4 1HA GLY 4 -0.908 5.463 0.997
25 H ALA 5 H ALA 5 0.291 6.635 2.426
26 HA ALA 5 HA ALA 5 1.767 6.929 4.116
27 HB1 ALA 5 1HB ALA 5 0.650 7.661 6.100
28 HB2 ALA 5 2HB ALA 5 -0.797 6.754 5.653
29 HB3 ALA 5 3HB ALA 5 -0.276 8.126 4.671
30 H PHE 6 H PHE 6 1.865 4.144 3.616
31 HA PHE 6 HA PHE 6 2.722 2.247 4.497
32 HB2 PHE 6 2HB PHE 6 3.241 3.922 6.965
33 HB3 PHE 6 1HB PHE 6 3.936 2.344 6.640
34 HD1 PHE 6 1HD PHE 6 5.480 2.133 4.636
35 HD2 PHE 6 2HD PHE 6 4.274 5.870 6.255
36 HE1 PHE 6 1HE PHE 6 7.410 3.205 3.576
37 HE2 PHE 6 2HE PHE 6 6.202 6.956 5.195
38 HZ PHE 6 HZ PHE 6 7.776 5.621 3.853
39 H ARG 7 H ARG 7 -0.157 3.012 4.960
40 HA ARG 7 HA ARG 7 -0.760 1.833 7.501
41 HB2 ARG 7 2HB ARG 7 -2.636 2.432 5.195
42 HB3 ARG 7 1HB ARG 7 -3.130 1.911 6.789
43 HG2 ARG 7 2HG ARG 7 -1.884 4.558 6.038
44 HG3 ARG 7 1HG ARG 7 -3.542 4.270 6.550
45 HD2 ARG 7 2HD ARG 7 -2.499 5.154 8.452
46 HD3 ARG 7 1HD ARG 7 -2.496 3.415 8.746
47 HE ARG 7 HE ARG 7 -0.150 4.471 7.452
48 HH11 ARG 7 1HH1 ARG 7 -1.558 3.668 10.605
49 HH12 ARG 7 2HH1 ARG 7 -0.032 3.520 11.365
50 HH21 ARG 7 1HH2 ARG 7 1.849 4.349 8.505
51 HH22 ARG 7 2HH2 ARG 7 1.952 3.920 10.149
52 H LYS 8 H LYS 8 -1.386 -0.155 7.896
53 HA LYS 8 HA LYS 8 -0.471 -2.251 6.316
54 HB2 LYS 8 2HB LYS 8 -2.530 -2.300 8.521
55 HB3 LYS 8 1HB LYS 8 -1.804 -3.738 7.815
56 HG2 LYS 8 2HG LYS 8 0.419 -2.931 8.539
57 HG3 LYS 8 1HG LYS 8 -0.371 -1.554 9.296
58 HD2 LYS 8 2HD LYS 8 -1.562 -2.981 10.814
59 HD3 LYS 8 1HD LYS 8 -0.972 -4.421 9.985
60 HE2 LYS 8 2HE LYS 8 0.273 -4.015 12.050
61 HE3 LYS 8 1HE LYS 8 1.308 -3.884 10.632
62 HZ1 LYS 8 1HZ LYS 8 1.749 -2.121 12.204
63 HZ2 LYS 8 2HZ LYS 8 0.151 -1.624 12.170
64 HZ3 LYS 8 3HZ LYS 8 1.118 -1.454 10.792
65 H CYS 9 H CYS 9 -1.431 -3.708 4.967
66 HA CYS 9 HA CYS 9 -4.071 -2.976 3.922
67 HB2 CYS 9 2HB CYS 9 -2.999 -3.237 1.664
68 HB3 CYS 9 1HB CYS 9 -2.531 -1.795 2.572
69 H ILE 10 H ILE 10 -4.843 -4.629 2.437
70 HA ILE 10 HA ILE 10 -3.961 -7.325 3.118
71 HB ILE 10 HB ILE 10 -6.381 -6.332 1.557
72 HG12 ILE 10 2HG1 ILE 10 -6.529 -5.739 3.921
73 HG13 ILE 10 1HG1 ILE 10 -7.723 -6.968 3.511
74 HG21 ILE 10 1HG2 ILE 10 -5.736 -8.553 0.830
75 HG22 ILE 10 2HG2 ILE 10 -7.247 -8.611 1.737
76 HG23 ILE 10 3HG2 ILE 10 -5.743 -9.119 2.502
77 HD11 ILE 10 1HD1 ILE 10 -5.115 -7.390 4.956
78 HD12 ILE 10 2HD1 ILE 10 -6.247 -8.662 4.502
79 HD13 ILE 10 3HD1 ILE 10 -6.735 -7.421 5.657
80 HA PRO 11 HA PRO 11 -1.400 -6.859 -0.620
81 HB2 PRO 11 2HB PRO 11 -1.386 -9.824 -0.240
82 HB3 PRO 11 1HB PRO 11 -0.036 -8.731 -0.582
83 HG2 PRO 11 2HG PRO 11 -0.390 -9.641 1.875
84 HG3 PRO 11 1HG PRO 11 0.052 -7.942 1.613
85 HD2 PRO 11 2HD PRO 11 -2.581 -9.132 2.361
86 HD3 PRO 11 1HD PRO 11 -1.841 -7.601 2.868
87 H ASP 12 H ASP 12 -3.951 -9.266 -0.297
88 HA ASP 12 HA ASP 12 -4.181 -9.612 -3.169
89 HB2 ASP 12 2HB ASP 12 -4.474 -11.538 -1.719
90 HB3 ASP 12 1HB ASP 12 -5.800 -10.740 -0.889
91 H ASN 13 H ASN 13 -5.427 -7.371 -0.955
92 HA ASN 13 HA ASN 13 -7.248 -6.323 -2.877
93 HB2 ASN 13 2HB ASN 13 -8.676 -8.096 -1.861
94 HB3 ASN 13 1HB ASN 13 -8.432 -7.354 -0.291
95 HD21 ASN 13 1HD2 ASN 13 -9.844 -6.924 -3.430
96 HD22 ASN 13 2HD2 ASN 13 -10.969 -5.703 -2.974
97 H ASP 14 H ASP 14 -5.532 -4.813 -2.478
98 HA ASP 14 HA ASP 14 -5.751 -3.357 -0.010
99 HB2 ASP 14 2HB ASP 14 -3.732 -2.194 -0.636
100 HB3 ASP 14 1HB ASP 14 -3.520 -3.936 -0.701
101 H LYS 15 H LYS 15 -6.429 -1.352 0.225
102 HA LYS 15 HA LYS 15 -7.318 -0.018 -2.212
103 HB2 LYS 15 2HB LYS 15 -8.717 -0.041 0.462
104 HB3 LYS 15 1HB LYS 15 -9.123 1.068 -0.841
105 HG2 LYS 15 2HG LYS 15 -9.608 -0.875 -2.282
106 HG3 LYS 15 1HG LYS 15 -9.318 -1.932 -0.900
107 HD2 LYS 15 2HD LYS 15 -11.143 -0.868 0.309
108 HD3 LYS 15 1HD LYS 15 -11.390 0.250 -1.030
109 HE2 LYS 15 2HE LYS 15 -13.026 -1.560 -1.089
110 HE3 LYS 15 1HE LYS 15 -11.975 -1.595 -2.497
111 HZ1 LYS 15 1HZ LYS 15 -10.753 -3.419 -1.558
112 HZ2 LYS 15 2HZ LYS 15 -12.394 -3.796 -1.491
113 HZ3 LYS 15 3HZ LYS 15 -11.598 -3.302 -0.103
114 H CYS 16 H CYS 16 -5.499 1.113 -2.448
115 HA CYS 16 HA CYS 16 -5.282 3.416 -0.756
116 HB2 CYS 16 2HB CYS 16 -2.971 1.552 -1.456
117 HB3 CYS 16 1HB CYS 16 -2.734 3.200 -0.875
118 H CYS 17 H CYS 17 -3.697 5.010 -2.054
119 HA CYS 17 HA CYS 17 -5.054 5.386 -4.521
120 HB2 CYS 17 2HB CYS 17 -2.634 6.835 -3.468
121 HB3 CYS 17 1HB CYS 17 -3.661 7.368 -4.793
122 H ARG 18 H ARG 18 -4.631 3.636 -5.753
123 HA ARG 18 HA ARG 18 -1.993 2.803 -6.475
124 HB2 ARG 18 2HB ARG 18 -4.206 1.463 -6.232
125 HB3 ARG 18 1HB ARG 18 -4.565 2.048 -7.842
126 HG2 ARG 18 2HG ARG 18 -2.627 0.916 -8.724
127 HG3 ARG 18 1HG ARG 18 -2.151 0.417 -7.094
128 HD2 ARG 18 2HD ARG 18 -4.538 -0.622 -7.019
129 HD3 ARG 18 1HD ARG 18 -4.435 -0.511 -8.771
130 HE ARG 18 HE ARG 18 -2.658 -2.011 -8.772
131 HH11 ARG 18 1HH1 ARG 18 -3.942 -1.441 -5.500
132 HH12 ARG 18 2HH1 ARG 18 -3.331 -2.833 -4.804
133 HH21 ARG 18 1HH2 ARG 18 -1.773 -4.048 -7.801
134 HH22 ARG 18 2HH2 ARG 18 -2.075 -4.377 -6.160
135 HA PRO 19 HA PRO 19 -0.905 2.049 -8.031
136 HB2 PRO 19 2HB PRO 19 0.873 2.257 -10.012
137 HB3 PRO 19 1HB PRO 19 -0.744 1.607 -10.290
138 HG2 PRO 19 2HG PRO 19 0.393 4.188 -11.149
139 HG3 PRO 19 1HG PRO 19 -1.001 3.304 -11.785
140 HD2 PRO 19 2HD PRO 19 -0.958 5.511 -9.897
141 HD3 PRO 19 1HD PRO 19 -2.355 4.734 -10.666
142 H ASN 20 H ASN 20 -0.625 5.112 -7.361
143 HA ASN 20 HA ASN 20 2.209 5.581 -7.200
144 HB2 ASN 20 2HB ASN 20 -0.035 6.978 -5.714
145 HB3 ASN 20 1HB ASN 20 1.619 7.550 -5.856
146 HD21 ASN 20 1HD2 ASN 20 2.298 8.450 -7.824
147 HD22 ASN 20 2HD2 ASN 20 1.163 8.939 -9.018
148 H LEU 21 H LEU 21 -0.340 4.627 -4.995
149 HA LEU 21 HA LEU 21 1.662 3.846 -2.998
150 HB2 LEU 21 2HB LEU 21 -1.220 4.614 -2.489
151 HB3 LEU 21 1HB LEU 21 0.052 4.358 -1.310
152 HG LEU 21 HG LEU 21 -0.089 6.670 -3.259
153 HD11 LEU 21 1HD1 LEU 21 -0.477 8.078 -1.385
154 HD12 LEU 21 2HD1 LEU 21 -0.283 6.746 -0.275
155 HD13 LEU 21 3HD1 LEU 21 -1.691 6.792 -1.349
156 HD21 LEU 21 1HD2 LEU 21 1.836 7.540 -2.039
157 HD22 LEU 21 2HD2 LEU 21 2.183 6.026 -2.874
158 HD23 LEU 21 3HD2 LEU 21 1.924 6.031 -1.129
159 H VAL 22 H VAL 22 1.689 1.721 -2.785
160 HA VAL 22 HA VAL 22 -0.700 0.156 -3.447
161 HB VAL 22 HB VAL 22 2.072 -0.520 -4.523
162 HG11 VAL 22 1HG1 VAL 22 -0.581 -1.855 -5.039
163 HG12 VAL 22 2HG1 VAL 22 0.753 -2.508 -4.089
164 HG13 VAL 22 3HG1 VAL 22 0.943 -2.265 -5.825
165 HG21 VAL 22 1HG2 VAL 22 1.155 -0.071 -6.768
166 HG22 VAL 22 2HG2 VAL 22 1.200 1.374 -5.757
167 HG23 VAL 22 3HG2 VAL 22 -0.326 0.531 -6.022
168 H CYS 23 H CYS 23 -0.811 -1.775 -2.340
169 HA CYS 23 HA CYS 23 0.506 -1.984 0.137
170 HB2 CYS 23 2HB CYS 23 -1.700 -2.915 -0.411
171 HB3 CYS 23 1HB CYS 23 -0.924 -4.096 -1.459
172 H SER 24 H SER 24 2.630 -2.443 0.312
173 HA SER 24 HA SER 24 3.929 -4.169 -1.587
174 HB2 SER 24 2HB SER 24 5.230 -2.382 -0.560
175 HB3 SER 24 1HB SER 24 4.826 -2.971 1.052
176 HG SER 24 HG SER 24 6.295 -4.454 -0.894
177 H ARG 25 H ARG 25 3.813 -6.320 -1.424
178 HA ARG 25 HA ARG 25 2.550 -7.441 0.888
179 HB2 ARG 25 2HB ARG 25 2.717 -9.591 -0.263
180 HB3 ARG 25 1HB ARG 25 2.055 -8.347 -1.303
181 HG2 ARG 25 2HG ARG 25 4.202 -8.134 -2.438
182 HG3 ARG 25 1HG ARG 25 4.874 -9.377 -1.374
183 HD2 ARG 25 2HD ARG 25 2.580 -9.729 -3.293
184 HD3 ARG 25 1HD ARG 25 4.223 -10.336 -3.515
185 HE ARG 25 HE ARG 25 3.545 -11.399 -1.167
186 HH11 ARG 25 1HH1 ARG 25 1.892 -11.405 -4.272
187 HH12 ARG 25 2HH1 ARG 25 1.087 -12.885 -4.009
188 HH21 ARG 25 1HH2 ARG 25 2.418 -13.419 -0.765
189 HH22 ARG 25 2HH2 ARG 25 1.416 -14.058 -1.981
190 H LEU 26 H LEU 26 5.652 -6.680 0.051
191 HA LEU 26 HA LEU 26 7.116 -8.521 1.684
192 HB2 LEU 26 2HB LEU 26 8.038 -7.157 -0.237
193 HB3 LEU 26 1HB LEU 26 7.848 -5.729 0.738
194 HG LEU 26 HG LEU 26 9.745 -8.001 1.402
195 HD11 LEU 26 1HD1 LEU 26 11.498 -6.514 0.549
196 HD12 LEU 26 2HD1 LEU 26 10.259 -5.376 0.024
197 HD13 LEU 26 3HD1 LEU 26 10.351 -6.978 -0.706
198 HD21 LEU 26 1HD2 LEU 26 9.622 -5.159 2.444
199 HD22 LEU 26 2HD2 LEU 26 10.839 -6.366 2.865
200 HD23 LEU 26 3HD2 LEU 26 9.158 -6.601 3.348
201 H HIS 27 H HIS 27 6.383 -5.073 2.011
202 HA HIS 27 HA HIS 27 7.106 -5.040 4.794
203 HB2 HIS 27 2HB HIS 27 5.789 -2.886 3.131
204 HB3 HIS 27 1HB HIS 27 6.490 -2.665 4.723
205 HD1 HIS 27 1HD HIS 27 9.147 -2.591 4.837
206 HD2 HIS 27 2HD HIS 27 7.553 -2.965 1.019
207 HE1 HIS 27 1HE HIS 27 11.013 -2.019 3.234
208 H ARG 28 H ARG 28 4.214 -5.421 2.993
209 HA ARG 28 HA ARG 28 2.138 -5.930 3.446
210 HB2 ARG 28 2HB ARG 28 3.013 -6.224 6.327
211 HB3 ARG 28 1HB ARG 28 1.442 -6.709 5.700
212 HG2 ARG 28 2HG ARG 28 2.605 -8.271 4.157
213 HG3 ARG 28 1HG ARG 28 4.123 -7.852 4.952
214 HD2 ARG 28 2HD ARG 28 1.706 -9.121 6.232
215 HD3 ARG 28 1HD ARG 28 3.235 -9.911 5.860
216 HE ARG 28 HE ARG 28 3.652 -7.681 7.532
217 HH11 ARG 28 1HH1 ARG 28 2.519 -11.025 7.600
218 HH12 ARG 28 2HH1 ARG 28 2.803 -11.236 9.264
219 HH21 ARG 28 1HH2 ARG 28 4.028 -7.975 9.826
220 HH22 ARG 28 2HH2 ARG 28 3.665 -9.475 10.557
221 H TRP 29 H TRP 29 3.108 -3.262 3.446
222 HA TRP 29 HA TRP 29 0.670 -2.073 4.394
223 HB2 TRP 29 2HB TRP 29 1.797 -0.076 5.303
224 HB3 TRP 29 1HB TRP 29 2.183 -1.521 6.207
225 HD1 TRP 29 HD TRP 29 3.986 0.111 3.124
226 HE1 TRP 29 1HE TRP 29 6.487 0.421 3.778
227 HE3 TRP 29 3HE TRP 29 3.827 -1.634 7.915
228 HZ2 TRP 29 2HZ TRP 29 8.113 0.012 5.990
229 HZ3 TRP 29 3HZ TRP 29 5.902 -1.629 9.236
230 HH2 TRP 29 HH TRP 29 7.989 -0.820 8.291
231 H CYS 30 H CYS 30 0.217 -0.012 3.396
232 HA CYS 30 HA CYS 30 0.862 -0.020 0.612
233 HB2 CYS 30 2HB CYS 30 -0.653 1.900 2.351
234 HB3 CYS 30 1HB CYS 30 -0.450 2.167 0.632
235 H LYS 31 H LYS 31 2.760 0.545 -0.049
236 HA LYS 31 HA LYS 31 4.120 2.725 1.340
237 HB2 LYS 31 2HB LYS 31 6.210 1.768 0.738
238 HB3 LYS 31 1HB LYS 31 5.228 0.442 1.317
239 HG2 LYS 31 2HG LYS 31 4.827 -0.332 -0.896
240 HG3 LYS 31 1HG LYS 31 5.574 1.112 -1.580
241 HD2 LYS 31 2HD LYS 31 7.701 0.452 -0.432
242 HD3 LYS 31 1HD LYS 31 6.930 -1.080 -0.025
243 HE2 LYS 31 2HE LYS 31 8.280 -1.277 -2.049
244 HE3 LYS 31 1HE LYS 31 6.570 -1.544 -2.386
245 HZ1 LYS 31 1HZ LYS 31 8.029 1.009 -2.882
246 HZ2 LYS 31 2HZ LYS 31 6.413 0.720 -3.229
247 HZ3 LYS 31 3HZ LYS 31 7.607 -0.117 -4.051
248 H TYR 32 H TYR 32 5.717 3.804 -0.224
249 HA TYR 32 HA TYR 32 4.104 4.893 -2.372
250 HB2 TYR 32 2HB TYR 32 6.790 5.750 -1.254
251 HB3 TYR 32 1HB TYR 32 5.794 6.665 -2.378
252 HD1 TYR 32 1HD TYR 32 4.055 8.069 -1.578
253 HD2 TYR 32 2HD TYR 32 5.981 5.414 1.122
254 HE1 TYR 32 1HE TYR 32 2.917 9.147 0.286
255 HE2 TYR 32 2HE TYR 32 4.845 6.482 2.995
256 HH TYR 32 HH TYR 32 2.210 8.485 2.627
257 H VAL 33 H VAL 33 5.005 5.060 -4.540
258 HA VAL 33 HA VAL 33 6.808 2.937 -5.199
259 HB VAL 33 HB VAL 33 6.425 3.693 -7.564
260 HG11 VAL 33 1HG1 VAL 33 5.085 1.926 -6.617
261 HG12 VAL 33 2HG1 VAL 33 4.108 2.921 -7.698
262 HG13 VAL 33 3HG1 VAL 33 3.959 3.107 -5.950
263 HG21 VAL 33 1HG2 VAL 33 4.640 5.297 -8.034
264 HG22 VAL 33 2HG2 VAL 33 5.940 6.051 -7.104
265 HG23 VAL 33 3HG2 VAL 33 4.440 5.588 -6.306
266 H PHE 34 H PHE 34 8.264 3.741 -7.082
267 HA PHE 34 HA PHE 34 9.980 5.797 -5.889
268 HB2 PHE 34 2HB PHE 34 11.039 3.568 -6.186
269 HB3 PHE 34 1HB PHE 34 10.707 3.646 -7.908
270 HD1 PHE 34 1HD PHE 34 12.179 4.781 -9.380
271 HD2 PHE 34 2HD PHE 34 12.643 5.203 -5.170
272 HE1 PHE 34 1HE PHE 34 14.336 5.895 -9.733
273 HE2 PHE 34 2HE PHE 34 14.811 6.323 -5.524
274 HZ PHE 34 HZ PHE 34 15.656 6.669 -7.803
Start of MODEL 17
1 H1 ASP 1 1HT ASP 1 -9.576 10.721 2.778
2 H2 ASP 1 2HT ASP 1 -9.310 11.409 1.276
3 H3 ASP 1 3HT ASP 1 -9.545 12.409 2.630
4 HA ASP 1 HA ASP 1 -7.216 12.283 2.010
5 HB2 ASP 1 2HB ASP 1 -7.704 12.624 4.364
6 HB3 ASP 1 1HB ASP 1 -8.005 10.914 4.598
7 H CYS 2 H CYS 2 -5.344 10.994 1.734
8 HA CYS 2 HA CYS 2 -5.914 8.632 0.275
9 HB2 CYS 2 2HB CYS 2 -4.091 10.166 -0.339
10 HB3 CYS 2 1HB CYS 2 -3.249 9.762 1.152
11 H LEU 3 H LEU 3 -5.133 6.520 0.699
12 HA LEU 3 HA LEU 3 -5.242 5.838 3.552
13 HB2 LEU 3 2HB LEU 3 -5.338 4.085 1.104
14 HB3 LEU 3 1HB LEU 3 -5.443 3.582 2.778
15 HG LEU 3 HG LEU 3 -7.460 5.336 1.367
16 HD11 LEU 3 1HD1 LEU 3 -7.474 3.088 0.463
17 HD12 LEU 3 2HD1 LEU 3 -8.911 3.364 1.450
18 HD13 LEU 3 3HD1 LEU 3 -7.572 2.415 2.090
19 HD21 LEU 3 1HD2 LEU 3 -8.860 4.905 3.341
20 HD22 LEU 3 2HD2 LEU 3 -7.377 5.751 3.773
21 HD23 LEU 3 3HD2 LEU 3 -7.529 4.021 4.089
22 H GLY 4 H GLY 4 -3.055 6.774 1.827
23 HA2 GLY 4 2HA GLY 4 -1.095 4.629 1.828
24 HA3 GLY 4 1HA GLY 4 -0.895 6.230 1.137
25 H ALA 5 H ALA 5 1.103 6.420 1.932
26 HA ALA 5 HA ALA 5 2.799 6.858 3.260
27 HB1 ALA 5 1HB ALA 5 2.464 8.389 5.124
28 HB2 ALA 5 2HB ALA 5 0.734 8.035 5.129
29 HB3 ALA 5 3HB ALA 5 1.461 8.862 3.754
30 H PHE 6 H PHE 6 2.644 4.407 3.353
31 HA PHE 6 HA PHE 6 3.236 2.541 4.392
32 HB2 PHE 6 2HB PHE 6 4.158 4.480 6.510
33 HB3 PHE 6 1HB PHE 6 4.563 2.769 6.507
34 HD1 PHE 6 1HD PHE 6 5.220 6.032 5.020
35 HD2 PHE 6 2HD PHE 6 6.074 1.866 4.784
36 HE1 PHE 6 1HE PHE 6 7.156 6.511 3.588
37 HE2 PHE 6 2HE PHE 6 8.006 2.342 3.358
38 HZ PHE 6 HZ PHE 6 8.555 4.671 2.754
39 H ARG 7 H ARG 7 0.455 3.446 4.895
40 HA ARG 7 HA ARG 7 -0.048 2.335 7.526
41 HB2 ARG 7 2HB ARG 7 -1.992 3.230 5.391
42 HB3 ARG 7 1HB ARG 7 -2.456 2.625 6.972
43 HG2 ARG 7 2HG ARG 7 -0.957 5.156 6.345
44 HG3 ARG 7 1HG ARG 7 -2.586 5.009 7.002
45 HD2 ARG 7 2HD ARG 7 0.008 4.266 8.371
46 HD3 ARG 7 1HD ARG 7 -1.052 5.610 8.767
47 HE ARG 7 HE ARG 7 -2.582 3.339 8.984
48 HH11 ARG 7 1HH1 ARG 7 0.269 4.709 10.577
49 HH12 ARG 7 2HH1 ARG 7 0.011 3.893 12.048
50 HH21 ARG 7 1HH2 ARG 7 -2.911 2.190 11.028
51 HH22 ARG 7 2HH2 ARG 7 -1.826 2.436 12.309
52 H LYS 8 H LYS 8 -1.308 0.425 7.892
53 HA LYS 8 HA LYS 8 -0.444 -1.646 6.141
54 HB2 LYS 8 2HB LYS 8 -2.222 -1.794 8.567
55 HB3 LYS 8 1HB LYS 8 -1.611 -3.172 7.668
56 HG2 LYS 8 2HG LYS 8 0.697 -2.434 8.200
57 HG3 LYS 8 1HG LYS 8 0.009 -1.157 9.203
58 HD2 LYS 8 2HD LYS 8 0.626 -3.026 10.598
59 HD3 LYS 8 1HD LYS 8 -1.130 -2.880 10.559
60 HE2 LYS 8 2HE LYS 8 -1.258 -4.682 8.907
61 HE3 LYS 8 1HE LYS 8 0.501 -4.803 8.892
62 HZ1 LYS 8 1HZ LYS 8 -0.468 -6.497 10.288
63 HZ2 LYS 8 2HZ LYS 8 -1.288 -5.353 11.194
64 HZ3 LYS 8 3HZ LYS 8 0.395 -5.413 11.238
65 H CYS 9 H CYS 9 -1.493 -2.804 4.767
66 HA CYS 9 HA CYS 9 -4.318 -2.272 4.264
67 HB2 CYS 9 2HB CYS 9 -3.532 -2.285 1.786
68 HB3 CYS 9 1HB CYS 9 -3.361 -0.818 2.752
69 H ILE 10 H ILE 10 -5.011 -3.819 2.408
70 HA ILE 10 HA ILE 10 -4.347 -6.479 3.236
71 HB ILE 10 HB ILE 10 -6.218 -5.493 1.054
72 HG12 ILE 10 2HG1 ILE 10 -6.793 -6.452 3.866
73 HG13 ILE 10 1HG1 ILE 10 -6.908 -4.792 3.301
74 HG21 ILE 10 1HG2 ILE 10 -7.180 -7.759 1.121
75 HG22 ILE 10 2HG2 ILE 10 -5.904 -8.248 2.238
76 HG23 ILE 10 3HG2 ILE 10 -5.497 -7.764 0.598
77 HD11 ILE 10 1HD1 ILE 10 -8.722 -5.445 1.792
78 HD12 ILE 10 2HD1 ILE 10 -9.099 -5.811 3.475
79 HD13 ILE 10 3HD1 ILE 10 -8.606 -7.102 2.380
80 HA PRO 11 HA PRO 11 -1.050 -6.588 0.236
81 HB2 PRO 11 2HB PRO 11 -0.241 -9.130 0.705
82 HB3 PRO 11 1HB PRO 11 0.105 -7.793 1.808
83 HG2 PRO 11 2HG PRO 11 -2.061 -9.848 1.955
84 HG3 PRO 11 1HG PRO 11 -0.987 -9.277 3.249
85 HD2 PRO 11 2HD PRO 11 -3.513 -8.402 2.961
86 HD3 PRO 11 1HD PRO 11 -2.215 -7.345 3.558
87 H ASP 12 H ASP 12 -3.664 -8.949 0.277
88 HA ASP 12 HA ASP 12 -2.905 -9.929 -2.365
89 HB2 ASP 12 2HB ASP 12 -4.639 -11.650 -2.046
90 HB3 ASP 12 1HB ASP 12 -3.503 -11.626 -0.708
91 H ASN 13 H ASN 13 -4.874 -7.613 -1.054
92 HA ASN 13 HA ASN 13 -6.117 -7.017 -3.600
93 HB2 ASN 13 2HB ASN 13 -7.755 -7.464 -1.072
94 HB3 ASN 13 1HB ASN 13 -8.329 -6.468 -2.392
95 HD21 ASN 13 1HD2 ASN 13 -7.360 -8.216 -4.518
96 HD22 ASN 13 2HD2 ASN 13 -8.352 -9.614 -4.463
97 H ASP 14 H ASP 14 -4.657 -5.393 -3.534
98 HA ASP 14 HA ASP 14 -4.432 -3.822 -1.184
99 HB2 ASP 14 2HB ASP 14 -2.641 -2.606 -2.304
100 HB3 ASP 14 1HB ASP 14 -2.431 -4.345 -2.363
101 H LYS 15 H LYS 15 -5.578 -2.251 -0.589
102 HA LYS 15 HA LYS 15 -6.862 -0.569 -2.607
103 HB2 LYS 15 2HB LYS 15 -7.675 -0.998 0.286
104 HB3 LYS 15 1HB LYS 15 -8.507 0.006 -0.879
105 HG2 LYS 15 2HG LYS 15 -8.254 -2.997 -1.011
106 HG3 LYS 15 1HG LYS 15 -9.675 -2.093 -0.495
107 HD2 LYS 15 2HD LYS 15 -9.802 -1.072 -2.744
108 HD3 LYS 15 1HD LYS 15 -8.424 -2.055 -3.241
109 HE2 LYS 15 2HE LYS 15 -10.483 -3.102 -3.979
110 HE3 LYS 15 1HE LYS 15 -9.720 -4.090 -2.738
111 HZ1 LYS 15 1HZ LYS 15 -12.109 -3.904 -2.378
112 HZ2 LYS 15 2HZ LYS 15 -12.026 -2.251 -2.330
113 HZ3 LYS 15 3HZ LYS 15 -11.309 -3.153 -1.107
114 H CYS 16 H CYS 16 -5.307 0.975 -2.882
115 HA CYS 16 HA CYS 16 -4.862 2.727 -0.674
116 HB2 CYS 16 2HB CYS 16 -3.003 0.870 -0.910
117 HB3 CYS 16 1HB CYS 16 -2.513 1.826 -2.308
118 H CYS 17 H CYS 17 -3.431 4.608 -1.865
119 HA CYS 17 HA CYS 17 -5.151 5.403 -4.028
120 HB2 CYS 17 2HB CYS 17 -2.703 6.836 -3.000
121 HB3 CYS 17 1HB CYS 17 -4.085 7.526 -3.846
122 H ARG 18 H ARG 18 -4.688 4.066 -5.736
123 HA ARG 18 HA ARG 18 -1.899 3.841 -6.524
124 HB2 ARG 18 2HB ARG 18 -2.475 1.834 -7.624
125 HB3 ARG 18 1HB ARG 18 -3.441 1.849 -6.178
126 HG2 ARG 18 2HG ARG 18 -5.352 2.689 -7.575
127 HG3 ARG 18 1HG ARG 18 -4.348 2.347 -8.990
128 HD2 ARG 18 2HD ARG 18 -5.429 0.452 -6.943
129 HD3 ARG 18 1HD ARG 18 -5.587 0.391 -8.700
130 HE ARG 18 HE ARG 18 -3.075 0.038 -8.634
131 HH11 ARG 18 1HH1 ARG 18 -5.366 -1.343 -6.341
132 HH12 ARG 18 2HH1 ARG 18 -4.252 -2.466 -5.703
133 HH21 ARG 18 1HH2 ARG 18 -1.547 -1.454 -7.701
134 HH22 ARG 18 2HH2 ARG 18 -2.040 -2.438 -6.380
135 HA PRO 19 HA PRO 19 -1.197 2.815 -8.676
136 HB2 PRO 19 2HB PRO 19 0.453 3.544 -10.602
137 HB3 PRO 19 1HB PRO 19 -1.186 3.006 -10.986
138 HG2 PRO 19 2HG PRO 19 -0.077 5.781 -10.884
139 HG3 PRO 19 1HG PRO 19 -1.220 5.076 -12.039
140 HD2 PRO 19 2HD PRO 19 -1.902 6.646 -9.834
141 HD3 PRO 19 1HD PRO 19 -3.010 5.584 -10.718
142 H ASN 20 H ASN 20 -0.924 5.706 -7.344
143 HA ASN 20 HA ASN 20 1.904 6.109 -7.266
144 HB2 ASN 20 2HB ASN 20 -0.285 7.245 -5.529
145 HB3 ASN 20 1HB ASN 20 1.402 7.727 -5.429
146 HD21 ASN 20 1HD2 ASN 20 1.800 7.599 -8.361
147 HD22 ASN 20 2HD2 ASN 20 0.962 8.974 -8.965
148 H LEU 21 H LEU 21 -0.417 4.597 -5.091
149 HA LEU 21 HA LEU 21 1.883 3.431 -3.733
150 HB2 LEU 21 2HB LEU 21 -0.741 4.189 -2.485
151 HB3 LEU 21 1HB LEU 21 0.505 3.313 -1.675
152 HG LEU 21 HG LEU 21 1.943 5.451 -2.396
153 HD11 LEU 21 1HD1 LEU 21 0.688 7.488 -2.011
154 HD12 LEU 21 2HD1 LEU 21 -0.807 6.555 -1.947
155 HD13 LEU 21 3HD1 LEU 21 0.129 6.622 -3.443
156 HD21 LEU 21 1HD2 LEU 21 1.891 4.549 -0.200
157 HD22 LEU 21 2HD2 LEU 21 0.237 5.091 0.033
158 HD23 LEU 21 3HD2 LEU 21 1.545 6.279 -0.089
159 H VAL 22 H VAL 22 1.873 1.377 -3.459
160 HA VAL 22 HA VAL 22 -0.570 -0.144 -3.983
161 HB VAL 22 HB VAL 22 0.820 -2.002 -4.887
162 HG11 VAL 22 1HG1 VAL 22 1.138 0.578 -6.397
163 HG12 VAL 22 2HG1 VAL 22 -0.240 -0.521 -6.468
164 HG13 VAL 22 3HG1 VAL 22 1.332 -1.035 -7.083
165 HG21 VAL 22 1HG2 VAL 22 3.086 -0.009 -4.777
166 HG22 VAL 22 2HG2 VAL 22 3.151 -1.578 -5.578
167 HG23 VAL 22 3HG2 VAL 22 2.945 -1.488 -3.827
168 H CYS 23 H CYS 23 -0.508 -2.236 -2.819
169 HA CYS 23 HA CYS 23 0.679 -1.686 -0.213
170 HB2 CYS 23 2HB CYS 23 -1.741 -2.410 -0.463
171 HB3 CYS 23 1HB CYS 23 -1.115 -3.993 -0.924
172 H SER 24 H SER 24 2.371 -2.715 0.521
173 HA SER 24 HA SER 24 3.846 -4.499 -1.093
174 HB2 SER 24 2HB SER 24 4.850 -3.029 0.677
175 HB3 SER 24 1HB SER 24 4.012 -3.990 1.879
176 HG SER 24 HG SER 24 6.117 -4.780 0.175
177 H ARG 25 H ARG 25 3.617 -6.665 -1.226
178 HA ARG 25 HA ARG 25 1.506 -7.913 0.267
179 HB2 ARG 25 2HB ARG 25 3.506 -9.180 -1.603
180 HB3 ARG 25 1HB ARG 25 2.009 -9.902 -1.030
181 HG2 ARG 25 2HG ARG 25 0.771 -8.058 -2.167
182 HG3 ARG 25 1HG ARG 25 2.306 -7.544 -2.870
183 HD2 ARG 25 2HD ARG 25 1.176 -8.931 -4.461
184 HD3 ARG 25 1HD ARG 25 2.570 -9.798 -3.787
185 HE ARG 25 HE ARG 25 0.722 -10.693 -2.181
186 HH11 ARG 25 1HH1 ARG 25 0.465 -10.363 -5.725
187 HH12 ARG 25 2HH1 ARG 25 -0.692 -11.602 -5.842
188 HH21 ARG 25 1HH2 ARG 25 -0.828 -12.356 -2.412
189 HH22 ARG 25 2HH2 ARG 25 -1.446 -12.760 -3.943
190 H LEU 26 H LEU 26 4.892 -7.710 0.246
191 HA LEU 26 HA LEU 26 5.376 -9.771 2.195
192 HB2 LEU 26 2HB LEU 26 7.161 -7.551 1.217
193 HB3 LEU 26 1HB LEU 26 7.675 -8.877 2.237
194 HG LEU 26 HG LEU 26 6.636 -9.183 -0.584
195 HD11 LEU 26 1HD1 LEU 26 8.961 -9.657 -1.160
196 HD12 LEU 26 2HD1 LEU 26 9.446 -9.281 0.494
197 HD13 LEU 26 3HD1 LEU 26 8.770 -8.019 -0.538
198 HD21 LEU 26 1HD2 LEU 26 6.243 -11.147 0.806
199 HD22 LEU 26 2HD2 LEU 26 7.936 -11.151 1.297
200 HD23 LEU 26 3HD2 LEU 26 7.503 -11.463 -0.384
201 H HIS 27 H HIS 27 5.458 -6.193 2.309
202 HA HIS 27 HA HIS 27 5.938 -6.290 5.179
203 HB2 HIS 27 2HB HIS 27 5.783 -3.899 3.326
204 HB3 HIS 27 1HB HIS 27 6.279 -3.857 5.007
205 HD1 HIS 27 1HD HIS 27 8.800 -4.032 5.373
206 HD2 HIS 27 2HD HIS 27 7.608 -5.443 1.652
207 HE1 HIS 27 1HE HIS 27 10.914 -4.534 4.106
208 H ARG 28 H ARG 28 3.318 -5.860 3.037
209 HA ARG 28 HA ARG 28 1.148 -5.569 3.259
210 HB2 ARG 28 2HB ARG 28 1.698 -6.095 6.170
211 HB3 ARG 28 1HB ARG 28 0.078 -5.937 5.501
212 HG2 ARG 28 2HG ARG 28 0.547 -7.795 3.972
213 HG3 ARG 28 1HG ARG 28 2.141 -7.972 4.702
214 HD2 ARG 28 2HD ARG 28 1.143 -8.514 6.827
215 HD3 ARG 28 1HD ARG 28 -0.473 -8.219 6.177
216 HE ARG 28 HE ARG 28 1.062 -10.177 4.749
217 HH11 ARG 28 1HH1 ARG 28 -1.166 -9.704 7.450
218 HH12 ARG 28 2HH1 ARG 28 -1.798 -11.284 7.367
219 HH21 ARG 28 1HH2 ARG 28 0.202 -12.300 4.636
220 HH22 ARG 28 2HH2 ARG 28 -0.991 -12.809 5.752
221 H TRP 29 H TRP 29 2.899 -3.218 3.452
222 HA TRP 29 HA TRP 29 0.767 -1.469 4.388
223 HB2 TRP 29 2HB TRP 29 2.367 0.243 5.105
224 HB3 TRP 29 1HB TRP 29 2.570 -1.247 6.005
225 HD1 TRP 29 HD TRP 29 4.261 0.225 2.779
226 HE1 TRP 29 1HE TRP 29 6.807 -0.067 3.032
227 HE3 TRP 29 3HE TRP 29 4.363 -2.051 7.353
228 HZ2 TRP 29 2HZ TRP 29 8.613 -1.091 4.933
229 HZ3 TRP 29 3HZ TRP 29 6.543 -2.636 8.324
230 HH2 TRP 29 HH TRP 29 8.619 -2.164 7.134
231 H CYS 30 H CYS 30 0.725 0.623 3.406
232 HA CYS 30 HA CYS 30 0.910 0.484 0.573
233 HB2 CYS 30 2HB CYS 30 0.256 2.699 2.480
234 HB3 CYS 30 1HB CYS 30 0.414 2.990 0.758
235 H LYS 31 H LYS 31 2.696 0.617 -0.492
236 HA LYS 31 HA LYS 31 4.800 2.383 0.494
237 HB2 LYS 31 2HB LYS 31 6.396 0.915 -0.576
238 HB3 LYS 31 1HB LYS 31 5.357 -0.047 0.454
239 HG2 LYS 31 2HG LYS 31 4.057 -0.703 -1.546
240 HG3 LYS 31 1HG LYS 31 5.214 0.182 -2.540
241 HD2 LYS 31 2HD LYS 31 7.014 -1.240 -1.538
242 HD3 LYS 31 1HD LYS 31 5.754 -2.207 -0.789
243 HE2 LYS 31 2HE LYS 31 6.382 -3.303 -2.801
244 HE3 LYS 31 1HE LYS 31 4.796 -2.580 -3.063
245 HZ1 LYS 31 1HZ LYS 31 7.380 -1.422 -3.935
246 HZ2 LYS 31 2HZ LYS 31 5.894 -0.733 -4.257
247 HZ3 LYS 31 3HZ LYS 31 6.306 -2.203 -4.945
248 H TYR 32 H TYR 32 5.837 3.652 -1.071
249 HA TYR 32 HA TYR 32 4.066 4.530 -3.138
250 HB2 TYR 32 2HB TYR 32 6.804 5.507 -2.305
251 HB3 TYR 32 1HB TYR 32 5.799 6.272 -3.530
252 HD1 TYR 32 1HD TYR 32 6.386 5.846 0.036
253 HD2 TYR 32 2HD TYR 32 3.686 7.369 -2.872
254 HE1 TYR 32 1HE TYR 32 5.279 7.181 1.771
255 HE2 TYR 32 2HE TYR 32 2.571 8.700 -1.160
256 HH TYR 32 HH TYR 32 2.276 8.706 1.258
257 H VAL 33 H VAL 33 4.312 4.335 -5.235
258 HA VAL 33 HA VAL 33 6.132 2.311 -6.187
259 HB VAL 33 HB VAL 33 3.964 3.858 -7.640
260 HG11 VAL 33 1HG1 VAL 33 4.146 2.142 -9.380
261 HG12 VAL 33 2HG1 VAL 33 5.490 1.406 -8.509
262 HG13 VAL 33 3HG1 VAL 33 5.662 3.025 -9.192
263 HG21 VAL 33 1HG2 VAL 33 3.964 1.065 -6.524
264 HG22 VAL 33 2HG2 VAL 33 2.662 1.808 -7.453
265 HG23 VAL 33 3HG2 VAL 33 3.091 2.448 -5.866
266 H PHE 34 H PHE 34 8.116 3.068 -6.380
267 HA PHE 34 HA PHE 34 8.565 5.061 -8.385
268 HB2 PHE 34 2HB PHE 34 10.364 6.183 -7.035
269 HB3 PHE 34 1HB PHE 34 8.758 6.436 -6.388
270 HD1 PHE 34 1HD PHE 34 8.135 5.488 -4.236
271 HD2 PHE 34 2HD PHE 34 12.022 4.888 -5.842
272 HE1 PHE 34 1HE PHE 34 8.935 4.767 -2.018
273 HE2 PHE 34 2HE PHE 34 12.831 4.164 -3.644
274 HZ PHE 34 HZ PHE 34 11.288 4.100 -1.722
Start of MODEL 18
1 H1 ASP 1 1HT ASP 1 -5.255 13.996 0.201
2 H2 ASP 1 2HT ASP 1 -3.966 13.149 -0.464
3 H3 ASP 1 3HT ASP 1 -3.672 14.328 0.696
4 HA ASP 1 HA ASP 1 -3.480 12.115 1.595
5 HB2 ASP 1 2HB ASP 1 -4.175 13.838 3.149
6 HB3 ASP 1 1HB ASP 1 -5.850 13.688 2.621
7 H CYS 2 H CYS 2 -3.917 10.159 0.960
8 HA CYS 2 HA CYS 2 -6.691 9.298 0.751
9 HB2 CYS 2 2HB CYS 2 -5.548 9.954 -1.547
10 HB3 CYS 2 1HB CYS 2 -4.689 8.435 -1.343
11 H LEU 3 H LEU 3 -5.942 6.625 -0.055
12 HA LEU 3 HA LEU 3 -4.838 5.667 2.428
13 HB2 LEU 3 2HB LEU 3 -5.439 4.147 -0.060
14 HB3 LEU 3 1HB LEU 3 -5.217 3.477 1.531
15 HG LEU 3 HG LEU 3 -7.538 5.215 0.706
16 HD11 LEU 3 1HD1 LEU 3 -8.842 3.180 0.895
17 HD12 LEU 3 2HD1 LEU 3 -7.382 2.266 1.279
18 HD13 LEU 3 3HD1 LEU 3 -7.572 3.000 -0.315
19 HD21 LEU 3 1HD2 LEU 3 -7.000 3.737 3.288
20 HD22 LEU 3 2HD2 LEU 3 -8.465 4.642 2.892
21 HD23 LEU 3 3HD2 LEU 3 -6.930 5.486 3.068
22 H GLY 4 H GLY 4 -2.828 5.499 2.738
23 HA2 GLY 4 2HA GLY 4 -0.927 4.216 1.191
24 HA3 GLY 4 1HA GLY 4 -0.778 5.945 0.865
25 H ALA 5 H ALA 5 0.919 6.630 1.966
26 HA ALA 5 HA ALA 5 2.361 7.162 3.632
27 HB1 ALA 5 1HB ALA 5 0.402 8.543 4.110
28 HB2 ALA 5 2HB ALA 5 1.337 8.161 5.559
29 HB3 ALA 5 3HB ALA 5 -0.171 7.306 5.231
30 H PHE 6 H PHE 6 2.290 4.348 3.420
31 HA PHE 6 HA PHE 6 3.097 2.529 4.429
32 HB2 PHE 6 2HB PHE 6 3.849 4.413 6.679
33 HB3 PHE 6 1HB PHE 6 4.442 2.767 6.494
34 HD1 PHE 6 1HD PHE 6 4.904 6.202 5.614
35 HD2 PHE 6 2HD PHE 6 5.779 2.216 4.423
36 HE1 PHE 6 1HE PHE 6 6.727 7.034 4.198
37 HE2 PHE 6 2HE PHE 6 7.603 3.039 3.002
38 HZ PHE 6 HZ PHE 6 8.082 5.449 2.883
39 H ARG 7 H ARG 7 0.308 3.517 5.018
40 HA ARG 7 HA ARG 7 -0.248 2.335 7.568
41 HB2 ARG 7 2HB ARG 7 -2.076 3.303 5.370
42 HB3 ARG 7 1HB ARG 7 -2.659 2.585 6.864
43 HG2 ARG 7 2HG ARG 7 -0.990 5.085 6.667
44 HG3 ARG 7 1HG ARG 7 -2.739 5.028 6.903
45 HD2 ARG 7 2HD ARG 7 -0.658 3.894 8.779
46 HD3 ARG 7 1HD ARG 7 -1.561 5.383 9.019
47 HE ARG 7 HE ARG 7 -3.585 3.822 8.900
48 HH11 ARG 7 1HH1 ARG 7 -0.494 2.928 10.416
49 HH12 ARG 7 2HH1 ARG 7 -1.177 1.854 11.530
50 HH21 ARG 7 1HH2 ARG 7 -4.519 2.367 10.407
51 HH22 ARG 7 2HH2 ARG 7 -3.567 1.517 11.539
52 H LYS 8 H LYS 8 -1.272 0.491 7.966
53 HA LYS 8 HA LYS 8 -0.329 -1.767 6.626
54 HB2 LYS 8 2HB LYS 8 -2.733 -1.694 8.431
55 HB3 LYS 8 1HB LYS 8 -1.599 -3.014 8.185
56 HG2 LYS 8 2HG LYS 8 0.161 -1.703 9.258
57 HG3 LYS 8 1HG LYS 8 -0.975 -0.382 9.517
58 HD2 LYS 8 2HD LYS 8 -0.856 -1.568 11.555
59 HD3 LYS 8 1HD LYS 8 -2.392 -2.004 10.815
60 HE2 LYS 8 2HE LYS 8 -1.339 -3.982 11.717
61 HE3 LYS 8 1HE LYS 8 -1.342 -4.083 9.961
62 HZ1 LYS 8 1HZ LYS 8 0.775 -4.736 10.874
63 HZ2 LYS 8 2HZ LYS 8 0.973 -3.225 11.615
64 HZ3 LYS 8 3HZ LYS 8 0.958 -3.357 9.947
65 H CYS 9 H CYS 9 -1.403 -3.324 5.337
66 HA CYS 9 HA CYS 9 -4.111 -2.867 4.537
67 HB2 CYS 9 2HB CYS 9 -3.472 -2.803 2.104
68 HB3 CYS 9 1HB CYS 9 -3.059 -1.351 3.011
69 H ILE 10 H ILE 10 -4.828 -4.602 3.103
70 HA ILE 10 HA ILE 10 -3.347 -7.063 3.591
71 HB ILE 10 HB ILE 10 -6.243 -6.572 2.842
72 HG12 ILE 10 2HG1 ILE 10 -5.751 -6.042 5.170
73 HG13 ILE 10 1HG1 ILE 10 -6.742 -7.490 5.079
74 HG21 ILE 10 1HG2 ILE 10 -4.868 -9.195 3.335
75 HG22 ILE 10 2HG2 ILE 10 -5.475 -8.616 1.784
76 HG23 ILE 10 3HG2 ILE 10 -6.602 -8.975 3.095
77 HD11 ILE 10 1HD1 ILE 10 -5.046 -7.731 6.777
78 HD12 ILE 10 2HD1 ILE 10 -3.778 -7.375 5.614
79 HD13 ILE 10 3HD1 ILE 10 -4.723 -8.856 5.457
80 HA PRO 11 HA PRO 11 -1.925 -6.310 -0.594
81 HB2 PRO 11 2HB PRO 11 -0.954 -9.083 -0.416
82 HB3 PRO 11 1HB PRO 11 -0.065 -7.592 -0.745
83 HG2 PRO 11 2HG PRO 11 0.156 -8.832 1.603
84 HG3 PRO 11 1HG PRO 11 0.126 -7.058 1.503
85 HD2 PRO 11 2HD PRO 11 -2.034 -8.953 2.317
86 HD3 PRO 11 1HD PRO 11 -1.569 -7.371 2.993
87 H ASP 12 H ASP 12 -3.745 -9.287 0.090
88 HA ASP 12 HA ASP 12 -4.030 -9.786 -2.731
89 HB2 ASP 12 2HB ASP 12 -5.388 -11.705 -2.219
90 HB3 ASP 12 1HB ASP 12 -4.059 -11.670 -1.075
91 H ASN 13 H ASN 13 -5.546 -7.746 -0.613
92 HA ASN 13 HA ASN 13 -7.390 -7.051 -2.736
93 HB2 ASN 13 2HB ASN 13 -8.763 -8.267 -1.005
94 HB3 ASN 13 1HB ASN 13 -8.246 -7.076 0.184
95 HD21 ASN 13 1HD2 ASN 13 -10.209 -7.651 -2.597
96 HD22 ASN 13 2HD2 ASN 13 -11.116 -6.185 -2.539
97 H ASP 14 H ASP 14 -5.727 -5.678 -3.144
98 HA ASP 14 HA ASP 14 -4.507 -3.950 -1.314
99 HB2 ASP 14 2HB ASP 14 -3.444 -4.485 -3.394
100 HB3 ASP 14 1HB ASP 14 -4.747 -3.791 -4.323
101 H LYS 15 H LYS 15 -5.420 -2.446 -0.229
102 HA LYS 15 HA LYS 15 -7.207 -0.639 -1.655
103 HB2 LYS 15 2HB LYS 15 -7.051 -1.225 1.305
104 HB3 LYS 15 1HB LYS 15 -7.951 0.125 0.638
105 HG2 LYS 15 2HG LYS 15 -9.393 -1.492 -0.547
106 HG3 LYS 15 1HG LYS 15 -8.500 -2.812 0.221
107 HD2 LYS 15 2HD LYS 15 -9.131 -2.000 2.420
108 HD3 LYS 15 1HD LYS 15 -9.936 -0.609 1.703
109 HE2 LYS 15 2HE LYS 15 -11.577 -2.240 2.351
110 HE3 LYS 15 1HE LYS 15 -11.520 -2.142 0.598
111 HZ1 LYS 15 1HZ LYS 15 -11.664 -4.408 1.418
112 HZ2 LYS 15 2HZ LYS 15 -10.205 -4.235 2.240
113 HZ3 LYS 15 3HZ LYS 15 -10.235 -4.199 0.553
114 H CYS 16 H CYS 16 -5.403 0.458 -2.536
115 HA CYS 16 HA CYS 16 -4.337 2.381 -0.747
116 HB2 CYS 16 2HB CYS 16 -2.820 0.216 -1.381
117 HB3 CYS 16 1HB CYS 16 -2.578 1.180 -2.837
118 H CYS 17 H CYS 17 -3.914 4.281 -2.159
119 HA CYS 17 HA CYS 17 -6.032 4.225 -4.062
120 HB2 CYS 17 2HB CYS 17 -4.365 6.544 -3.150
121 HB3 CYS 17 1HB CYS 17 -5.751 6.672 -4.236
122 H ARG 18 H ARG 18 -2.673 3.733 -4.609
123 HA ARG 18 HA ARG 18 -1.364 3.824 -6.340
124 HB2 ARG 18 2HB ARG 18 -4.014 3.179 -7.519
125 HB3 ARG 18 1HB ARG 18 -2.651 3.417 -8.582
126 HG2 ARG 18 2HG ARG 18 -2.599 1.125 -8.280
127 HG3 ARG 18 1HG ARG 18 -1.523 1.646 -6.990
128 HD2 ARG 18 2HD ARG 18 -3.501 1.598 -5.449
129 HD3 ARG 18 1HD ARG 18 -4.424 0.869 -6.757
130 HE ARG 18 HE ARG 18 -2.818 -0.474 -4.964
131 HH11 ARG 18 1HH1 ARG 18 -3.383 -0.570 -8.477
132 HH12 ARG 18 2HH1 ARG 18 -2.689 -2.099 -8.693
133 HH21 ARG 18 1HH2 ARG 18 -1.939 -2.554 -5.245
134 HH22 ARG 18 2HH2 ARG 18 -1.805 -3.262 -6.804
135 HA PRO 19 HA PRO 19 -0.916 3.761 -9.008
136 HB2 PRO 19 2HB PRO 19 0.853 5.669 -10.307
137 HB3 PRO 19 1HB PRO 19 -0.324 4.597 -11.060
138 HG2 PRO 19 2HG PRO 19 -0.644 7.268 -11.060
139 HG3 PRO 19 1HG PRO 19 -2.024 6.166 -10.931
140 HD2 PRO 19 2HD PRO 19 -0.595 7.653 -8.753
141 HD3 PRO 19 1HD PRO 19 -2.343 7.501 -9.047
142 H ASN 20 H ASN 20 0.314 6.352 -7.248
143 HA ASN 20 HA ASN 20 3.062 5.456 -7.108
144 HB2 ASN 20 2HB ASN 20 1.711 7.523 -5.369
145 HB3 ASN 20 1HB ASN 20 3.436 7.319 -5.632
146 HD21 ASN 20 1HD2 ASN 20 1.880 9.666 -5.997
147 HD22 ASN 20 2HD2 ASN 20 1.999 10.124 -7.654
148 H LEU 21 H LEU 21 0.180 4.865 -5.441
149 HA LEU 21 HA LEU 21 1.576 3.919 -3.022
150 HB2 LEU 21 2HB LEU 21 -1.405 4.401 -3.213
151 HB3 LEU 21 1HB LEU 21 -0.352 4.262 -1.846
152 HG LEU 21 HG LEU 21 0.002 6.594 -3.674
153 HD11 LEU 21 1HD1 LEU 21 -1.661 6.422 -1.169
154 HD12 LEU 21 2HD1 LEU 21 -2.269 6.667 -2.806
155 HD13 LEU 21 3HD1 LEU 21 -1.266 7.899 -2.048
156 HD21 LEU 21 1HD2 LEU 21 1.158 7.491 -1.719
157 HD22 LEU 21 2HD2 LEU 21 1.878 5.969 -2.235
158 HD23 LEU 21 3HD2 LEU 21 0.825 6.008 -0.832
159 H VAL 22 H VAL 22 1.784 1.823 -2.933
160 HA VAL 22 HA VAL 22 -0.381 0.147 -3.919
161 HB VAL 22 HB VAL 22 1.371 0.214 -5.685
162 HG11 VAL 22 1HG1 VAL 22 3.566 -0.793 -5.315
163 HG12 VAL 22 2HG1 VAL 22 3.195 -0.946 -3.598
164 HG13 VAL 22 3HG1 VAL 22 3.318 0.650 -4.334
165 HG21 VAL 22 1HG2 VAL 22 1.172 -2.446 -4.276
166 HG22 VAL 22 2HG2 VAL 22 1.687 -2.217 -5.947
167 HG23 VAL 22 3HG2 VAL 22 0.040 -1.808 -5.467
168 H CYS 23 H CYS 23 -0.674 -1.742 -2.716
169 HA CYS 23 HA CYS 23 0.461 -1.693 -0.098
170 HB2 CYS 23 2HB CYS 23 -1.913 -2.310 -0.572
171 HB3 CYS 23 1HB CYS 23 -1.340 -3.726 -1.441
172 H SER 24 H SER 24 2.575 -2.276 -0.022
173 HA SER 24 HA SER 24 3.747 -4.153 -1.765
174 HB2 SER 24 2HB SER 24 4.935 -2.316 -0.553
175 HB3 SER 24 1HB SER 24 4.692 -3.209 0.948
176 HG SER 24 HG SER 24 6.221 -3.889 -1.308
177 H ARG 25 H ARG 25 3.572 -6.311 -1.643
178 HA ARG 25 HA ARG 25 1.860 -7.426 0.300
179 HB2 ARG 25 2HB ARG 25 2.069 -9.521 -0.842
180 HB3 ARG 25 1HB ARG 25 1.893 -8.224 -2.007
181 HG2 ARG 25 2HG ARG 25 4.316 -8.314 -2.425
182 HG3 ARG 25 1HG ARG 25 4.433 -9.663 -1.296
183 HD2 ARG 25 2HD ARG 25 2.849 -9.582 -3.855
184 HD3 ARG 25 1HD ARG 25 4.325 -10.496 -3.560
185 HE ARG 25 HE ARG 25 2.555 -11.348 -1.650
186 HH11 ARG 25 1HH1 ARG 25 2.596 -11.286 -5.168
187 HH12 ARG 25 2HH1 ARG 25 1.626 -12.659 -5.370
188 HH21 ARG 25 1HH2 ARG 25 1.188 -13.268 -1.886
189 HH22 ARG 25 2HH2 ARG 25 0.816 -13.839 -3.445
190 H LEU 26 H LEU 26 5.297 -7.286 0.135
191 HA LEU 26 HA LEU 26 5.568 -9.355 2.129
192 HB2 LEU 26 2HB LEU 26 7.944 -8.930 2.167
193 HB3 LEU 26 1HB LEU 26 7.378 -9.147 0.523
194 HG LEU 26 HG LEU 26 7.913 -6.447 1.721
195 HD11 LEU 26 1HD1 LEU 26 10.127 -6.558 0.622
196 HD12 LEU 26 2HD1 LEU 26 9.810 -8.236 0.181
197 HD13 LEU 26 3HD1 LEU 26 9.963 -7.782 1.879
198 HD21 LEU 26 1HD2 LEU 26 8.265 -5.836 -0.664
199 HD22 LEU 26 2HD2 LEU 26 6.630 -6.350 -0.305
200 HD23 LEU 26 3HD2 LEU 26 7.739 -7.458 -1.122
201 H HIS 27 H HIS 27 5.685 -5.908 2.042
202 HA HIS 27 HA HIS 27 6.385 -5.694 4.819
203 HB2 HIS 27 2HB HIS 27 5.488 -3.583 2.859
204 HB3 HIS 27 1HB HIS 27 6.030 -3.259 4.497
205 HD1 HIS 27 1HD HIS 27 8.642 -4.140 4.947
206 HD2 HIS 27 2HD HIS 27 7.433 -3.522 1.022
207 HE1 HIS 27 1HE HIS 27 10.751 -3.929 3.601
208 H ARG 28 H ARG 28 3.468 -5.576 2.918
209 HA ARG 28 HA ARG 28 1.315 -5.701 3.377
210 HB2 ARG 28 2HB ARG 28 2.169 -6.190 6.233
211 HB3 ARG 28 1HB ARG 28 0.523 -6.367 5.634
212 HG2 ARG 28 2HG ARG 28 1.252 -8.146 4.140
213 HG3 ARG 28 1HG ARG 28 2.913 -7.943 4.704
214 HD2 ARG 28 2HD ARG 28 0.548 -8.725 6.377
215 HD3 ARG 28 1HD ARG 28 1.827 -9.812 5.833
216 HE ARG 28 HE ARG 28 3.234 -7.985 7.125
217 HH11 ARG 28 1HH1 ARG 28 0.257 -9.617 8.095
218 HH12 ARG 28 2HH1 ARG 28 0.582 -9.525 9.762
219 HH21 ARG 28 1HH2 ARG 28 3.673 -7.847 9.422
220 HH22 ARG 28 2HH2 ARG 28 2.562 -8.510 10.516
221 H TRP 29 H TRP 29 2.747 -3.268 3.371
222 HA TRP 29 HA TRP 29 0.593 -1.680 4.384
223 HB2 TRP 29 2HB TRP 29 2.038 0.091 5.306
224 HB3 TRP 29 1HB TRP 29 2.230 -1.407 6.195
225 HD1 TRP 29 HD TRP 29 4.132 0.458 3.327
226 HE1 TRP 29 1HE TRP 29 6.667 0.176 3.755
227 HE3 TRP 29 3HE TRP 29 3.939 -2.486 7.499
228 HZ2 TRP 29 2HZ TRP 29 8.343 -1.091 5.624
229 HZ3 TRP 29 3HZ TRP 29 6.047 -3.178 8.553
230 HH2 TRP 29 HH TRP 29 8.203 -2.494 7.632
231 H CYS 30 H CYS 30 0.548 0.413 3.422
232 HA CYS 30 HA CYS 30 1.084 0.279 0.626
233 HB2 CYS 30 2HB CYS 30 -0.024 2.368 2.438
234 HB3 CYS 30 1HB CYS 30 0.413 2.742 0.775
235 H LYS 31 H LYS 31 2.850 0.855 -0.386
236 HA LYS 31 HA LYS 31 4.544 2.802 0.966
237 HB2 LYS 31 2HB LYS 31 6.529 1.663 0.328
238 HB3 LYS 31 1HB LYS 31 5.481 0.464 1.035
239 HG2 LYS 31 2HG LYS 31 4.900 -0.384 -1.154
240 HG3 LYS 31 1HG LYS 31 5.854 0.885 -1.915
241 HD2 LYS 31 2HD LYS 31 6.971 -1.211 -0.050
242 HD3 LYS 31 1HD LYS 31 7.055 -1.291 -1.804
243 HE2 LYS 31 2HE LYS 31 8.319 0.846 -0.051
244 HE3 LYS 31 1HE LYS 31 9.155 -0.486 -0.827
245 HZ1 LYS 31 1HZ LYS 31 7.794 1.761 -2.269
246 HZ2 LYS 31 2HZ LYS 31 8.563 0.445 -2.991
247 HZ3 LYS 31 3HZ LYS 31 9.440 1.523 -2.072
248 H TYR 32 H TYR 32 5.958 3.935 -0.528
249 HA TYR 32 HA TYR 32 4.442 4.795 -2.825
250 HB2 TYR 32 2HB TYR 32 7.029 5.853 -1.656
251 HB3 TYR 32 1HB TYR 32 6.043 6.635 -2.883
252 HD1 TYR 32 1HD TYR 32 6.308 5.790 0.681
253 HD2 TYR 32 2HD TYR 32 4.022 7.802 -2.280
254 HE1 TYR 32 1HE TYR 32 5.044 6.913 2.438
255 HE2 TYR 32 2HE TYR 32 2.746 8.924 -0.535
256 HH TYR 32 HH TYR 32 2.191 8.665 1.764
257 H VAL 33 H VAL 33 4.995 4.300 -4.819
258 HA VAL 33 HA VAL 33 7.678 3.183 -5.285
259 HB VAL 33 HB VAL 33 6.776 2.161 -7.383
260 HG11 VAL 33 1HG1 VAL 33 5.539 0.346 -6.286
261 HG12 VAL 33 2HG1 VAL 33 5.392 1.353 -4.842
262 HG13 VAL 33 3HG1 VAL 33 6.980 0.824 -5.387
263 HG21 VAL 33 1HG2 VAL 33 4.338 1.966 -7.678
264 HG22 VAL 33 2HG2 VAL 33 4.869 3.646 -7.755
265 HG23 VAL 33 3HG2 VAL 33 4.093 3.035 -6.295
266 H PHE 34 H PHE 34 6.304 5.947 -5.308
267 HA PHE 34 HA PHE 34 7.869 6.973 -7.468
268 HB2 PHE 34 2HB PHE 34 5.631 6.417 -8.463
269 HB3 PHE 34 1HB PHE 34 4.896 7.519 -7.312
270 HD1 PHE 34 1HD PHE 34 4.823 9.839 -7.740
271 HD2 PHE 34 2HD PHE 34 7.199 7.294 -10.177
272 HE1 PHE 34 1HE PHE 34 5.118 11.670 -9.352
273 HE2 PHE 34 2HE PHE 34 7.504 9.120 -11.795
274 HZ PHE 34 HZ PHE 34 6.461 11.303 -11.392
Start of MODEL 19
1 H1 ASP 1 1HT ASP 1 -8.911 10.401 -2.699
2 H2 ASP 1 2HT ASP 1 -8.178 10.831 -4.135
3 H3 ASP 1 3HT ASP 1 -9.010 11.997 -3.246
4 HA ASP 1 HA ASP 1 -6.603 12.202 -3.024
5 HB2 ASP 1 2HB ASP 1 -8.028 11.244 -0.522
6 HB3 ASP 1 1HB ASP 1 -6.469 12.058 -0.516
7 H CYS 2 H CYS 2 -4.805 11.096 -1.426
8 HA CYS 2 HA CYS 2 -4.722 8.373 -2.396
9 HB2 CYS 2 2HB CYS 2 -2.592 10.392 -1.877
10 HB3 CYS 2 1HB CYS 2 -2.216 8.682 -1.910
11 H LEU 3 H LEU 3 -5.188 6.900 -0.917
12 HA LEU 3 HA LEU 3 -4.482 7.232 1.852
13 HB2 LEU 3 2HB LEU 3 -5.394 4.833 0.275
14 HB3 LEU 3 1HB LEU 3 -5.136 4.822 2.004
15 HG LEU 3 HG LEU 3 -7.212 6.481 0.572
16 HD11 LEU 3 1HD1 LEU 3 -8.797 4.906 1.551
17 HD12 LEU 3 2HD1 LEU 3 -7.456 3.971 2.212
18 HD13 LEU 3 3HD1 LEU 3 -7.670 4.092 0.467
19 HD21 LEU 3 1HD2 LEU 3 -6.724 5.978 3.502
20 HD22 LEU 3 2HD2 LEU 3 -8.074 6.883 2.818
21 HD23 LEU 3 3HD2 LEU 3 -6.429 7.492 2.650
22 H GLY 4 H GLY 4 -2.744 6.359 2.842
23 HA2 GLY 4 2HA GLY 4 -0.991 4.496 1.676
24 HA3 GLY 4 1HA GLY 4 -0.372 6.135 1.480
25 H ALA 5 H ALA 5 0.754 6.964 3.021
26 HA ALA 5 HA ALA 5 1.866 7.269 4.965
27 HB1 ALA 5 1HB ALA 5 0.478 7.632 6.885
28 HB2 ALA 5 2HB ALA 5 -0.849 6.738 6.138
29 HB3 ALA 5 3HB ALA 5 -0.312 8.274 5.444
30 H PHE 6 H PHE 6 1.928 4.528 4.032
31 HA PHE 6 HA PHE 6 2.751 2.510 4.644
32 HB2 PHE 6 2HB PHE 6 3.404 3.903 7.249
33 HB3 PHE 6 1HB PHE 6 4.065 2.368 6.718
34 HD1 PHE 6 1HD PHE 6 4.230 5.982 6.446
35 HD2 PHE 6 2HD PHE 6 5.708 2.307 4.892
36 HE1 PHE 6 1HE PHE 6 6.134 7.179 5.431
37 HE2 PHE 6 2HE PHE 6 7.602 3.496 3.873
38 HZ PHE 6 HZ PHE 6 7.818 5.930 4.145
39 H ARG 7 H ARG 7 -0.103 3.157 5.248
40 HA ARG 7 HA ARG 7 -0.669 1.855 7.749
41 HB2 ARG 7 2HB ARG 7 -2.533 2.481 5.446
42 HB3 ARG 7 1HB ARG 7 -3.042 1.874 7.005
43 HG2 ARG 7 2HG ARG 7 -1.823 4.572 6.415
44 HG3 ARG 7 1HG ARG 7 -3.496 4.231 6.841
45 HD2 ARG 7 2HD ARG 7 -2.554 5.034 8.831
46 HD3 ARG 7 1HD ARG 7 -2.530 3.285 9.034
47 HE ARG 7 HE ARG 7 -0.132 4.484 7.942
48 HH11 ARG 7 1HH1 ARG 7 -1.707 3.241 10.868
49 HH12 ARG 7 2HH1 ARG 7 -0.256 3.191 11.757
50 HH21 ARG 7 1HH2 ARG 7 1.802 4.464 9.191
51 HH22 ARG 7 2HH2 ARG 7 1.765 3.927 10.808
52 H LYS 8 H LYS 8 -1.070 -0.222 8.112
53 HA LYS 8 HA LYS 8 -0.215 -2.138 6.203
54 HB2 LYS 8 2HB LYS 8 -0.844 -3.837 7.832
55 HB3 LYS 8 1HB LYS 8 0.032 -2.532 8.614
56 HG2 LYS 8 2HG LYS 8 -2.123 -1.612 9.408
57 HG3 LYS 8 1HG LYS 8 -2.941 -2.976 8.657
58 HD2 LYS 8 2HD LYS 8 -1.737 -4.525 10.086
59 HD3 LYS 8 1HD LYS 8 -0.852 -3.184 10.815
60 HE2 LYS 8 2HE LYS 8 -3.838 -3.570 10.906
61 HE3 LYS 8 1HE LYS 8 -2.721 -3.931 12.219
62 HZ1 LYS 8 1HZ LYS 8 -3.783 -1.797 12.510
63 HZ2 LYS 8 2HZ LYS 8 -3.198 -1.235 11.043
64 HZ3 LYS 8 3HZ LYS 8 -2.123 -1.592 12.310
65 H CYS 9 H CYS 9 -1.381 -3.738 5.103
66 HA CYS 9 HA CYS 9 -4.252 -3.649 5.040
67 HB2 CYS 9 2HB CYS 9 -4.090 -3.174 2.497
68 HB3 CYS 9 1HB CYS 9 -4.005 -1.818 3.621
69 H ILE 10 H ILE 10 -5.064 -5.230 3.356
70 HA ILE 10 HA ILE 10 -3.375 -7.563 3.288
71 HB ILE 10 HB ILE 10 -6.139 -7.121 2.080
72 HG12 ILE 10 2HG1 ILE 10 -5.363 -8.530 4.647
73 HG13 ILE 10 1HG1 ILE 10 -6.112 -6.941 4.544
74 HG21 ILE 10 1HG2 ILE 10 -4.923 -8.919 0.977
75 HG22 ILE 10 2HG2 ILE 10 -6.252 -9.574 1.937
76 HG23 ILE 10 3HG2 ILE 10 -4.594 -9.680 2.535
77 HD11 ILE 10 1HD1 ILE 10 -7.733 -8.668 5.112
78 HD12 ILE 10 2HD1 ILE 10 -7.342 -9.527 3.622
79 HD13 ILE 10 3HD1 ILE 10 -8.101 -7.938 3.549
80 HA PRO 11 HA PRO 11 -1.581 -6.029 -0.564
81 HB2 PRO 11 2HB PRO 11 -0.562 -8.796 -0.751
82 HB3 PRO 11 1HB PRO 11 0.328 -7.272 -0.756
83 HG2 PRO 11 2HG PRO 11 0.383 -8.876 1.378
84 HG3 PRO 11 1HG PRO 11 0.339 -7.112 1.554
85 HD2 PRO 11 2HD PRO 11 -1.856 -9.110 1.878
86 HD3 PRO 11 1HD PRO 11 -1.472 -7.658 2.835
87 H ASP 12 H ASP 12 -3.476 -8.845 -0.168
88 HA ASP 12 HA ASP 12 -3.737 -9.638 -2.908
89 HB2 ASP 12 2HB ASP 12 -4.009 -11.191 -1.009
90 HB3 ASP 12 1HB ASP 12 -5.442 -10.315 -0.505
91 H ASN 13 H ASN 13 -5.107 -7.174 -1.064
92 HA ASN 13 HA ASN 13 -6.712 -6.298 -3.221
93 HB2 ASN 13 2HB ASN 13 -8.800 -5.960 -1.757
94 HB3 ASN 13 1HB ASN 13 -8.514 -7.590 -2.338
95 HD21 ASN 13 1HD2 ASN 13 -8.461 -5.492 0.426
96 HD22 ASN 13 2HD2 ASN 13 -8.491 -6.713 1.644
97 H ASP 14 H ASP 14 -5.128 -4.798 -3.146
98 HA ASP 14 HA ASP 14 -4.492 -3.385 -0.794
99 HB2 ASP 14 2HB ASP 14 -3.054 -1.965 -2.114
100 HB3 ASP 14 1HB ASP 14 -2.868 -3.628 -2.638
101 H LYS 15 H LYS 15 -5.341 -1.796 0.158
102 HA LYS 15 HA LYS 15 -7.230 -0.081 -1.290
103 HB2 LYS 15 2HB LYS 15 -7.058 -0.704 1.668
104 HB3 LYS 15 1HB LYS 15 -8.161 0.452 0.958
105 HG2 LYS 15 2HG LYS 15 -9.301 -1.348 -0.226
106 HG3 LYS 15 1HG LYS 15 -8.154 -2.517 0.441
107 HD2 LYS 15 2HD LYS 15 -8.880 -1.935 2.710
108 HD3 LYS 15 1HD LYS 15 -10.022 -0.767 2.047
109 HE2 LYS 15 2HE LYS 15 -10.056 -3.720 1.470
110 HE3 LYS 15 1HE LYS 15 -11.046 -2.940 2.701
111 HZ1 LYS 15 1HZ LYS 15 -12.096 -1.647 0.971
112 HZ2 LYS 15 2HZ LYS 15 -12.267 -3.292 0.668
113 HZ3 LYS 15 3HZ LYS 15 -11.165 -2.380 -0.225
114 H CYS 16 H CYS 16 -5.548 1.237 -2.027
115 HA CYS 16 HA CYS 16 -4.457 3.042 -0.058
116 HB2 CYS 16 2HB CYS 16 -2.813 1.707 -2.243
117 HB3 CYS 16 1HB CYS 16 -2.234 2.859 -1.055
118 H CYS 17 H CYS 17 -3.066 4.598 -1.937
119 HA CYS 17 HA CYS 17 -5.147 5.736 -3.483
120 HB2 CYS 17 2HB CYS 17 -3.100 6.957 -2.653
121 HB3 CYS 17 1HB CYS 17 -2.185 6.151 -3.920
122 H ARG 18 H ARG 18 -2.328 3.790 -4.442
123 HA ARG 18 HA ARG 18 -1.670 2.780 -6.255
124 HB2 ARG 18 2HB ARG 18 -3.480 1.296 -5.516
125 HB3 ARG 18 1HB ARG 18 -4.606 2.122 -6.582
126 HG2 ARG 18 2HG ARG 18 -3.407 1.327 -8.512
127 HG3 ARG 18 1HG ARG 18 -2.166 0.602 -7.491
128 HD2 ARG 18 2HD ARG 18 -3.706 -1.112 -8.240
129 HD3 ARG 18 1HD ARG 18 -3.869 -0.875 -6.501
130 HE ARG 18 HE ARG 18 -5.690 0.487 -8.327
131 HH11 ARG 18 1HH1 ARG 18 -5.218 -1.905 -5.733
132 HH12 ARG 18 2HH1 ARG 18 -6.874 -2.202 -5.525
133 HH21 ARG 18 1HH2 ARG 18 -7.940 0.076 -8.040
134 HH22 ARG 18 2HH2 ARG 18 -8.500 -1.030 -6.875
135 HA PRO 19 HA PRO 19 -0.733 2.153 -7.843
136 HB2 PRO 19 2HB PRO 19 0.991 2.636 -9.780
137 HB3 PRO 19 1HB PRO 19 -0.610 1.998 -10.152
138 HG2 PRO 19 2HG PRO 19 0.410 4.790 -10.427
139 HG3 PRO 19 1HG PRO 19 -0.639 3.868 -11.518
140 HD2 PRO 19 2HD PRO 19 -1.496 5.724 -9.605
141 HD3 PRO 19 1HD PRO 19 -2.517 4.508 -10.395
142 H ASN 20 H ASN 20 -0.652 5.359 -7.276
143 HA ASN 20 HA ASN 20 2.048 6.038 -6.802
144 HB2 ASN 20 2HB ASN 20 -0.403 6.948 -5.256
145 HB3 ASN 20 1HB ASN 20 1.182 7.691 -5.140
146 HD21 ASN 20 1HD2 ASN 20 -1.374 8.884 -5.923
147 HD22 ASN 20 2HD2 ASN 20 -1.125 9.493 -7.501
148 H LEU 21 H LEU 21 -0.380 4.798 -4.616
149 HA LEU 21 HA LEU 21 1.684 3.722 -2.803
150 HB2 LEU 21 2HB LEU 21 -1.164 4.654 -2.223
151 HB3 LEU 21 1HB LEU 21 -0.204 3.682 -1.165
152 HG LEU 21 HG LEU 21 -0.353 5.980 -0.504
153 HD11 LEU 21 1HD1 LEU 21 1.337 4.519 0.330
154 HD12 LEU 21 2HD1 LEU 21 2.012 6.133 0.116
155 HD13 LEU 21 3HD1 LEU 21 2.374 4.864 -1.051
156 HD21 LEU 21 1HD2 LEU 21 1.137 7.650 -1.544
157 HD22 LEU 21 2HD2 LEU 21 -0.172 7.155 -2.618
158 HD23 LEU 21 3HD2 LEU 21 1.455 6.519 -2.860
159 H VAL 22 H VAL 22 1.707 1.499 -2.905
160 HA VAL 22 HA VAL 22 -0.888 0.218 -3.358
161 HB VAL 22 HB VAL 22 0.015 -1.566 -4.663
162 HG11 VAL 22 1HG1 VAL 22 -0.623 0.301 -5.974
163 HG12 VAL 22 2HG1 VAL 22 0.790 -0.462 -6.706
164 HG13 VAL 22 3HG1 VAL 22 0.968 1.036 -5.795
165 HG21 VAL 22 1HG2 VAL 22 2.394 -1.680 -5.390
166 HG22 VAL 22 2HG2 VAL 22 2.179 -1.881 -3.652
167 HG23 VAL 22 3HG2 VAL 22 2.755 -0.345 -4.290
168 H CYS 23 H CYS 23 -0.994 -1.964 -2.471
169 HA CYS 23 HA CYS 23 0.387 -1.944 0.066
170 HB2 CYS 23 2HB CYS 23 -2.110 -2.339 -0.199
171 HB3 CYS 23 1HB CYS 23 -1.685 -3.912 -0.866
172 H SER 24 H SER 24 2.279 -2.733 -0.040
173 HA SER 24 HA SER 24 3.287 -4.613 -1.901
174 HB2 SER 24 2HB SER 24 4.647 -2.944 -0.798
175 HB3 SER 24 1HB SER 24 4.248 -3.626 0.768
176 HG SER 24 HG SER 24 5.707 -4.875 -1.308
177 H ARG 25 H ARG 25 3.636 -6.859 -1.636
178 HA ARG 25 HA ARG 25 2.211 -8.071 0.575
179 HB2 ARG 25 2HB ARG 25 2.673 -10.247 -0.473
180 HB3 ARG 25 1HB ARG 25 1.957 -9.137 -1.628
181 HG2 ARG 25 2HG ARG 25 4.132 -8.754 -2.630
182 HG3 ARG 25 1HG ARG 25 4.870 -9.807 -1.413
183 HD2 ARG 25 2HD ARG 25 2.828 -10.635 -3.472
184 HD3 ARG 25 1HD ARG 25 4.558 -10.965 -3.545
185 HE ARG 25 HE ARG 25 3.068 -11.946 -1.232
186 HH11 ARG 25 1HH1 ARG 25 4.717 -12.747 -4.288
187 HH12 ARG 25 2HH1 ARG 25 4.736 -14.421 -3.960
188 HH21 ARG 25 1HH2 ARG 25 3.141 -14.233 -0.840
189 HH22 ARG 25 2HH2 ARG 25 3.863 -15.272 -1.988
190 H LEU 26 H LEU 26 5.289 -7.080 -0.184
191 HA LEU 26 HA LEU 26 6.693 -8.757 1.686
192 HB2 LEU 26 2HB LEU 26 7.842 -7.890 -0.275
193 HB3 LEU 26 1HB LEU 26 7.494 -6.247 0.220
194 HG LEU 26 HG LEU 26 8.946 -6.585 2.203
195 HD11 LEU 26 1HD1 LEU 26 9.620 -9.198 0.868
196 HD12 LEU 26 2HD1 LEU 26 8.789 -8.993 2.410
197 HD13 LEU 26 3HD1 LEU 26 10.470 -8.494 2.243
198 HD21 LEU 26 1HD2 LEU 26 9.794 -5.511 0.204
199 HD22 LEU 26 2HD2 LEU 26 10.217 -7.081 -0.476
200 HD23 LEU 26 3HD2 LEU 26 11.049 -6.491 0.963
201 H HIS 27 H HIS 27 5.936 -5.309 1.475
202 HA HIS 27 HA HIS 27 6.677 -4.877 4.230
203 HB2 HIS 27 2HB HIS 27 5.314 -2.978 2.302
204 HB3 HIS 27 1HB HIS 27 5.974 -2.553 3.865
205 HD1 HIS 27 1HD HIS 27 8.559 -2.214 4.010
206 HD2 HIS 27 2HD HIS 27 7.189 -3.405 0.274
207 HE1 HIS 27 1HE HIS 27 10.443 -1.759 2.407
208 H ARG 28 H ARG 28 3.753 -5.406 2.444
209 HA ARG 28 HA ARG 28 1.638 -5.745 2.952
210 HB2 ARG 28 2HB ARG 28 2.751 -6.285 5.704
211 HB3 ARG 28 1HB ARG 28 1.077 -6.598 5.252
212 HG2 ARG 28 2HG ARG 28 1.828 -8.136 3.519
213 HG3 ARG 28 1HG ARG 28 3.503 -7.811 3.952
214 HD2 ARG 28 2HD ARG 28 3.109 -8.728 6.169
215 HD3 ARG 28 1HD ARG 28 1.419 -9.021 5.748
216 HE ARG 28 HE ARG 28 3.063 -10.239 3.852
217 HH11 ARG 28 1HH1 ARG 28 2.158 -10.635 7.248
218 HH12 ARG 28 2HH1 ARG 28 2.342 -12.324 7.253
219 HH21 ARG 28 1HH2 ARG 28 3.327 -12.557 3.859
220 HH22 ARG 28 2HH2 ARG 28 3.026 -13.442 5.275
221 H TRP 29 H TRP 29 2.639 -3.136 2.972
222 HA TRP 29 HA TRP 29 0.354 -1.900 4.185
223 HB2 TRP 29 2HB TRP 29 1.622 -0.032 5.158
224 HB3 TRP 29 1HB TRP 29 2.086 -1.543 5.908
225 HD1 TRP 29 HD TRP 29 3.540 0.518 2.894
226 HE1 TRP 29 1HE TRP 29 6.088 0.694 3.234
227 HE3 TRP 29 3HE TRP 29 3.964 -2.072 7.254
228 HZ2 TRP 29 2HZ TRP 29 8.003 -0.136 5.103
229 HZ3 TRP 29 3HZ TRP 29 6.201 -2.333 8.259
230 HH2 TRP 29 HH TRP 29 8.167 -1.386 7.203
231 H CYS 30 H CYS 30 0.209 0.373 3.402
232 HA CYS 30 HA CYS 30 0.512 0.465 0.568
233 HB2 CYS 30 2HB CYS 30 -0.196 2.603 2.568
234 HB3 CYS 30 1HB CYS 30 -0.304 2.818 0.834
235 H LYS 31 H LYS 31 2.519 0.593 -0.222
236 HA LYS 31 HA LYS 31 4.445 2.400 1.067
237 HB2 LYS 31 2HB LYS 31 6.191 1.205 -0.107
238 HB3 LYS 31 1HB LYS 31 5.200 0.056 0.778
239 HG2 LYS 31 2HG LYS 31 4.098 -0.584 -1.289
240 HG3 LYS 31 1HG LYS 31 5.008 0.636 -2.170
241 HD2 LYS 31 2HD LYS 31 6.231 -1.733 -0.733
242 HD3 LYS 31 1HD LYS 31 5.900 -1.675 -2.462
243 HE2 LYS 31 2HE LYS 31 8.173 -1.184 -2.342
244 HE3 LYS 31 1HE LYS 31 7.452 0.418 -2.412
245 HZ1 LYS 31 1HZ LYS 31 8.509 -0.963 0.016
246 HZ2 LYS 31 2HZ LYS 31 7.702 0.515 0.070
247 HZ3 LYS 31 3HZ LYS 31 9.139 0.397 -0.747
248 H TYR 32 H TYR 32 5.739 3.807 -0.258
249 HA TYR 32 HA TYR 32 4.220 4.991 -2.403
250 HB2 TYR 32 2HB TYR 32 6.951 5.732 -1.296
251 HB3 TYR 32 1HB TYR 32 5.973 6.719 -2.379
252 HD1 TYR 32 1HD TYR 32 3.716 7.522 -1.536
253 HD2 TYR 32 2HD TYR 32 6.672 5.884 1.033
254 HE1 TYR 32 1HE TYR 32 2.570 8.492 0.371
255 HE2 TYR 32 2HE TYR 32 5.559 6.861 2.961
256 HH TYR 32 HH TYR 32 4.060 8.682 3.457
257 H VAL 33 H VAL 33 4.400 4.312 -4.405
258 HA VAL 33 HA VAL 33 6.590 2.535 -5.035
259 HB VAL 33 HB VAL 33 4.132 3.135 -6.669
260 HG11 VAL 33 1HG1 VAL 33 5.960 2.177 -7.946
261 HG12 VAL 33 2HG1 VAL 33 4.657 1.001 -7.751
262 HG13 VAL 33 3HG1 VAL 33 6.113 0.872 -6.770
263 HG21 VAL 33 1HG2 VAL 33 3.493 2.243 -4.505
264 HG22 VAL 33 2HG2 VAL 33 4.628 0.907 -4.711
265 HG23 VAL 33 3HG2 VAL 33 3.233 1.056 -5.783
266 H PHE 34 H PHE 34 8.250 3.309 -5.936
267 HA PHE 34 HA PHE 34 7.991 5.351 -8.009
268 HB2 PHE 34 2HB PHE 34 10.297 4.884 -6.087
269 HB3 PHE 34 1HB PHE 34 10.364 5.970 -7.464
270 HD1 PHE 34 1HD PHE 34 9.152 8.076 -7.443
271 HD2 PHE 34 2HD PHE 34 9.089 5.470 -4.084
272 HE1 PHE 34 1HE PHE 34 8.304 9.911 -6.041
273 HE2 PHE 34 2HE PHE 34 8.243 7.295 -2.676
274 HZ PHE 34 HZ PHE 34 7.848 9.521 -3.649
Start of MODEL 20
1 H1 ASP 1 1HT ASP 1 -9.794 11.418 -1.621
2 H2 ASP 1 2HT ASP 1 -10.949 11.548 -0.392
3 H3 ASP 1 3HT ASP 1 -10.634 10.054 -1.142
4 HA ASP 1 HA ASP 1 -8.676 11.568 0.448
5 HB2 ASP 1 2HB ASP 1 -10.193 9.029 1.089
6 HB3 ASP 1 1HB ASP 1 -8.832 9.639 2.016
7 H CYS 2 H CYS 2 -6.696 11.097 -0.186
8 HA CYS 2 HA CYS 2 -6.297 8.691 -1.752
9 HB2 CYS 2 2HB CYS 2 -5.334 10.879 -2.522
10 HB3 CYS 2 1HB CYS 2 -4.319 10.889 -1.077
11 H LEU 3 H LEU 3 -5.834 6.904 -0.646
12 HA LEU 3 HA LEU 3 -4.790 7.207 2.065
13 HB2 LEU 3 2HB LEU 3 -5.967 4.766 0.766
14 HB3 LEU 3 1HB LEU 3 -5.574 4.970 2.456
15 HG LEU 3 HG LEU 3 -7.753 6.360 0.930
16 HD11 LEU 3 1HD1 LEU 3 -8.211 4.039 1.405
17 HD12 LEU 3 2HD1 LEU 3 -9.231 5.082 2.401
18 HD13 LEU 3 3HD1 LEU 3 -7.826 4.286 3.109
19 HD21 LEU 3 1HD2 LEU 3 -6.978 6.622 3.842
20 HD22 LEU 3 2HD2 LEU 3 -8.436 7.291 3.111
21 HD23 LEU 3 3HD2 LEU 3 -6.852 7.877 2.608
22 H GLY 4 H GLY 4 -3.242 5.686 2.819
23 HA2 GLY 4 2HA GLY 4 -1.706 3.914 1.439
24 HA3 GLY 4 1HA GLY 4 -0.965 5.487 1.137
25 H ALA 5 H ALA 5 0.106 6.511 2.679
26 HA ALA 5 HA ALA 5 1.393 6.812 4.516
27 HB1 ALA 5 1HB ALA 5 -0.767 7.822 5.059
28 HB2 ALA 5 2HB ALA 5 0.134 7.286 6.480
29 HB3 ALA 5 3HB ALA 5 -1.228 6.332 5.891
30 H PHE 6 H PHE 6 1.523 4.003 3.760
31 HA PHE 6 HA PHE 6 2.399 2.082 4.474
32 HB2 PHE 6 2HB PHE 6 3.153 3.680 6.939
33 HB3 PHE 6 1HB PHE 6 3.839 2.125 6.481
34 HD1 PHE 6 1HD PHE 6 3.893 5.700 5.935
35 HD2 PHE 6 2HD PHE 6 5.239 1.953 4.448
36 HE1 PHE 6 1HE PHE 6 5.583 6.855 4.567
37 HE2 PHE 6 2HE PHE 6 6.926 3.098 3.079
38 HZ PHE 6 HZ PHE 6 7.102 5.548 3.136
39 H ARG 7 H ARG 7 -0.389 2.674 5.074
40 HA ARG 7 HA ARG 7 -1.133 1.558 7.571
41 HB2 ARG 7 2HB ARG 7 -2.595 1.942 4.978
42 HB3 ARG 7 1HB ARG 7 -3.340 1.102 6.325
43 HG2 ARG 7 2HG ARG 7 -2.275 3.913 6.444
44 HG3 ARG 7 1HG ARG 7 -3.962 3.490 6.152
45 HD2 ARG 7 2HD ARG 7 -2.355 2.829 8.632
46 HD3 ARG 7 1HD ARG 7 -3.630 4.036 8.484
47 HE ARG 7 HE ARG 7 -4.626 1.538 7.711
48 HH11 ARG 7 1HH1 ARG 7 -3.695 3.264 10.684
49 HH12 ARG 7 2HH1 ARG 7 -4.628 2.277 11.708
50 HH21 ARG 7 1HH2 ARG 7 -5.884 0.221 9.090
51 HH22 ARG 7 2HH2 ARG 7 -5.925 0.487 10.776
52 H LYS 8 H LYS 8 -1.704 -0.481 8.164
53 HA LYS 8 HA LYS 8 -0.548 -2.607 6.636
54 HB2 LYS 8 2HB LYS 8 -2.215 -2.717 9.159
55 HB3 LYS 8 1HB LYS 8 -1.271 -4.042 8.490
56 HG2 LYS 8 2HG LYS 8 0.773 -2.768 8.827
57 HG3 LYS 8 1HG LYS 8 -0.159 -1.436 9.487
58 HD2 LYS 8 2HD LYS 8 -0.941 -2.884 11.298
59 HD3 LYS 8 1HD LYS 8 0.017 -4.213 10.640
60 HE2 LYS 8 2HE LYS 8 1.088 -1.578 11.643
61 HE3 LYS 8 1HE LYS 8 1.172 -3.114 12.498
62 HZ1 LYS 8 1HZ LYS 8 2.497 -2.468 9.914
63 HZ2 LYS 8 2HZ LYS 8 2.505 -3.980 10.635
64 HZ3 LYS 8 3HZ LYS 8 3.259 -2.695 11.399
65 H CYS 9 H CYS 9 -1.528 -3.192 4.924
66 HA CYS 9 HA CYS 9 -4.449 -3.251 4.754
67 HB2 CYS 9 2HB CYS 9 -3.732 -3.084 2.272
68 HB3 CYS 9 1HB CYS 9 -3.670 -1.648 3.302
69 H ILE 10 H ILE 10 -5.171 -4.775 3.034
70 HA ILE 10 HA ILE 10 -3.883 -7.373 3.185
71 HB ILE 10 HB ILE 10 -6.380 -6.469 1.692
72 HG12 ILE 10 2HG1 ILE 10 -6.190 -7.902 4.353
73 HG13 ILE 10 1HG1 ILE 10 -6.614 -6.208 4.139
74 HG21 ILE 10 1HG2 ILE 10 -5.416 -8.488 0.741
75 HG22 ILE 10 2HG2 ILE 10 -6.928 -8.868 1.564
76 HG23 ILE 10 3HG2 ILE 10 -5.387 -9.251 2.331
77 HD11 ILE 10 1HD1 ILE 10 -8.591 -7.548 4.517
78 HD12 ILE 10 2HD1 ILE 10 -8.180 -8.576 3.144
79 HD13 ILE 10 3HD1 ILE 10 -8.606 -6.886 2.882
80 HA PRO 11 HA PRO 11 -1.500 -6.016 -0.385
81 HB2 PRO 11 2HB PRO 11 -1.164 -8.939 -0.796
82 HB3 PRO 11 1HB PRO 11 0.054 -7.662 -0.704
83 HG2 PRO 11 2HG PRO 11 -0.329 -9.334 1.331
84 HG3 PRO 11 1HG PRO 11 0.030 -7.616 1.609
85 HD2 PRO 11 2HD PRO 11 -2.562 -9.078 1.840
86 HD3 PRO 11 1HD PRO 11 -1.914 -7.742 2.811
87 H ASP 12 H ASP 12 -3.938 -8.547 -0.672
88 HA ASP 12 HA ASP 12 -4.087 -8.051 -3.538
89 HB2 ASP 12 2HB ASP 12 -5.457 -10.145 -1.865
90 HB3 ASP 12 1HB ASP 12 -5.913 -9.846 -3.536
91 H ASN 13 H ASN 13 -5.417 -6.593 -0.948
92 HA ASN 13 HA ASN 13 -7.231 -5.195 -2.644
93 HB2 ASN 13 2HB ASN 13 -8.747 -7.037 -1.872
94 HB3 ASN 13 1HB ASN 13 -8.421 -6.572 -0.208
95 HD21 ASN 13 1HD2 ASN 13 -10.004 -5.624 -3.179
96 HD22 ASN 13 2HD2 ASN 13 -11.008 -4.406 -2.481
97 H ASP 14 H ASP 14 -5.474 -3.779 -2.057
98 HA ASP 14 HA ASP 14 -5.774 -2.741 0.617
99 HB2 ASP 14 2HB ASP 14 -3.853 -1.336 0.218
100 HB3 ASP 14 1HB ASP 14 -3.503 -2.976 -0.274
101 H LYS 15 H LYS 15 -6.127 -0.487 0.908
102 HA LYS 15 HA LYS 15 -7.592 0.642 -1.338
103 HB2 LYS 15 2HB LYS 15 -8.182 0.914 1.627
104 HB3 LYS 15 1HB LYS 15 -9.013 1.811 0.365
105 HG2 LYS 15 2HG LYS 15 -9.914 -0.245 -0.557
106 HG3 LYS 15 1HG LYS 15 -9.011 -1.196 0.621
107 HD2 LYS 15 2HD LYS 15 -10.288 -0.199 2.429
108 HD3 LYS 15 1HD LYS 15 -11.145 0.829 1.280
109 HE2 LYS 15 2HE LYS 15 -12.519 -1.080 1.918
110 HE3 LYS 15 1HE LYS 15 -12.088 -1.156 0.211
111 HZ1 LYS 15 1HZ LYS 15 -11.955 -3.280 1.389
112 HZ2 LYS 15 2HZ LYS 15 -10.732 -2.710 2.368
113 HZ3 LYS 15 3HZ LYS 15 -10.479 -2.896 0.709
114 H CYS 16 H CYS 16 -5.728 1.563 -2.056
115 HA CYS 16 HA CYS 16 -4.813 3.900 -0.679
116 HB2 CYS 16 2HB CYS 16 -2.981 1.595 -1.494
117 HB3 CYS 16 1HB CYS 16 -2.433 3.188 -0.998
118 H CYS 17 H CYS 17 -3.418 5.132 -2.252
119 HA CYS 17 HA CYS 17 -4.775 5.107 -4.763
120 HB2 CYS 17 2HB CYS 17 -2.479 6.849 -3.893
121 HB3 CYS 17 1HB CYS 17 -3.526 7.100 -5.289
122 H ARG 18 H ARG 18 -4.128 3.070 -5.613
123 HA ARG 18 HA ARG 18 -1.406 2.626 -6.401
124 HB2 ARG 18 2HB ARG 18 -3.984 1.295 -7.251
125 HB3 ARG 18 1HB ARG 18 -2.415 0.804 -7.857
126 HG2 ARG 18 2HG ARG 18 -1.762 0.279 -5.502
127 HG3 ARG 18 1HG ARG 18 -3.424 0.637 -5.026
128 HD2 ARG 18 2HD ARG 18 -4.267 -1.094 -6.464
129 HD3 ARG 18 1HD ARG 18 -2.658 -1.409 -7.103
130 HE ARG 18 HE ARG 18 -2.904 -1.737 -4.245
131 HH11 ARG 18 1HH1 ARG 18 -3.261 -3.417 -7.364
132 HH12 ARG 18 2HH1 ARG 18 -2.974 -4.949 -6.709
133 HH21 ARG 18 1HH2 ARG 18 -2.534 -3.719 -3.400
134 HH22 ARG 18 2HH2 ARG 18 -2.511 -5.181 -4.306
135 HA PRO 19 HA PRO 19 -0.400 1.642 -8.035
136 HB2 PRO 19 2HB PRO 19 1.326 1.882 -10.025
137 HB3 PRO 19 1HB PRO 19 -0.279 1.204 -10.313
138 HG2 PRO 19 2HG PRO 19 0.785 3.888 -11.014
139 HG3 PRO 19 1HG PRO 19 -0.416 2.902 -11.863
140 HD2 PRO 19 2HD PRO 19 -0.901 5.052 -10.059
141 HD3 PRO 19 1HD PRO 19 -2.103 3.962 -10.775
142 H ASN 20 H ASN 20 -0.333 4.648 -7.256
143 HA ASN 20 HA ASN 20 2.517 5.168 -7.194
144 HB2 ASN 20 2HB ASN 20 0.160 6.730 -6.127
145 HB3 ASN 20 1HB ASN 20 1.825 7.239 -5.901
146 HD21 ASN 20 1HD2 ASN 20 2.739 6.445 -8.544
147 HD22 ASN 20 2HD2 ASN 20 2.038 7.567 -9.637
148 H LEU 21 H LEU 21 -0.067 4.443 -4.947
149 HA LEU 21 HA LEU 21 1.908 3.753 -2.884
150 HB2 LEU 21 2HB LEU 21 -1.013 4.496 -2.480
151 HB3 LEU 21 1HB LEU 21 0.241 4.272 -1.273
152 HG LEU 21 HG LEU 21 0.325 6.516 -3.288
153 HD11 LEU 21 1HD1 LEU 21 -0.491 6.630 -0.396
154 HD12 LEU 21 2HD1 LEU 21 -1.586 6.780 -1.767
155 HD13 LEU 21 3HD1 LEU 21 -0.334 7.994 -1.501
156 HD21 LEU 21 1HD2 LEU 21 2.484 5.839 -2.444
157 HD22 LEU 21 2HD2 LEU 21 1.893 5.961 -0.786
158 HD23 LEU 21 3HD2 LEU 21 2.023 7.408 -1.785
159 H VAL 22 H VAL 22 1.984 1.625 -2.600
160 HA VAL 22 HA VAL 22 -0.361 0.015 -3.357
161 HB VAL 22 HB VAL 22 2.492 -0.651 -4.152
162 HG11 VAL 22 1HG1 VAL 22 -0.084 -2.032 -4.856
163 HG12 VAL 22 2HG1 VAL 22 1.169 -2.628 -3.768
164 HG13 VAL 22 3HG1 VAL 22 1.512 -2.440 -5.488
165 HG21 VAL 22 1HG2 VAL 22 1.675 1.220 -5.494
166 HG22 VAL 22 2HG2 VAL 22 0.242 0.292 -5.938
167 HG23 VAL 22 3HG2 VAL 22 1.837 -0.238 -6.469
168 H CYS 23 H CYS 23 -0.677 -1.769 -2.068
169 HA CYS 23 HA CYS 23 0.774 -1.963 0.376
170 HB2 CYS 23 2HB CYS 23 -1.665 -2.447 -0.068
171 HB3 CYS 23 1HB CYS 23 -1.155 -3.962 -0.804
172 H SER 24 H SER 24 2.823 -2.594 0.184
173 HA SER 24 HA SER 24 3.830 -4.315 -1.813
174 HB2 SER 24 2HB SER 24 5.239 -2.676 -0.763
175 HB3 SER 24 1HB SER 24 4.936 -3.369 0.826
176 HG SER 24 HG SER 24 6.565 -4.272 -1.265
177 H ARG 25 H ARG 25 4.328 -6.450 -1.770
178 HA ARG 25 HA ARG 25 2.937 -8.226 -0.008
179 HB2 ARG 25 2HB ARG 25 5.171 -8.764 -1.990
180 HB3 ARG 25 1HB ARG 25 4.172 -9.991 -1.230
181 HG2 ARG 25 2HG ARG 25 3.072 -7.816 -2.985
182 HG3 ARG 25 1HG ARG 25 3.546 -9.408 -3.580
183 HD2 ARG 25 2HD ARG 25 1.914 -10.485 -2.272
184 HD3 ARG 25 1HD ARG 25 1.580 -9.032 -1.334
185 HE ARG 25 HE ARG 25 0.985 -8.246 -3.789
186 HH11 ARG 25 1HH1 ARG 25 0.042 -11.212 -2.094
187 HH12 ARG 25 2HH1 ARG 25 -1.553 -11.213 -2.721
188 HH21 ARG 25 1HH2 ARG 25 -1.157 -8.304 -4.671
189 HH22 ARG 25 2HH2 ARG 25 -2.212 -9.600 -4.288
190 H LEU 26 H LEU 26 6.136 -6.975 -0.337
191 HA LEU 26 HA LEU 26 7.398 -8.718 1.556
192 HB2 LEU 26 2HB LEU 26 8.329 -6.091 0.429
193 HB3 LEU 26 1HB LEU 26 9.317 -7.252 1.282
194 HG LEU 26 HG LEU 26 8.033 -7.679 -1.409
195 HD11 LEU 26 1HD1 LEU 26 10.907 -7.228 -0.643
196 HD12 LEU 26 2HD1 LEU 26 9.848 -6.049 -1.413
197 HD13 LEU 26 3HD1 LEU 26 10.287 -7.525 -2.269
198 HD21 LEU 26 1HD2 LEU 26 9.932 -9.420 0.170
199 HD22 LEU 26 2HD2 LEU 26 9.410 -9.713 -1.487
200 HD23 LEU 26 3HD2 LEU 26 8.238 -9.776 -0.172
201 H HIS 27 H HIS 27 6.561 -5.275 1.506
202 HA HIS 27 HA HIS 27 7.307 -5.014 4.280
203 HB2 HIS 27 2HB HIS 27 6.210 -2.977 2.342
204 HB3 HIS 27 1HB HIS 27 6.671 -2.621 3.999
205 HD1 HIS 27 1HD HIS 27 9.172 -2.243 4.457
206 HD2 HIS 27 2HD HIS 27 8.375 -3.648 0.624
207 HE1 HIS 27 1HE HIS 27 11.305 -2.040 3.201
208 H ARG 28 H ARG 28 4.496 -5.803 2.640
209 HA ARG 28 HA ARG 28 2.364 -5.974 3.085
210 HB2 ARG 28 2HB ARG 28 1.741 -7.009 5.276
211 HB3 ARG 28 1HB ARG 28 3.071 -7.796 4.463
212 HG2 ARG 28 2HG ARG 28 4.642 -6.720 5.994
213 HG3 ARG 28 1HG ARG 28 3.296 -5.913 6.797
214 HD2 ARG 28 2HD ARG 28 3.985 -7.864 8.040
215 HD3 ARG 28 1HD ARG 28 2.363 -8.081 7.389
216 HE ARG 28 HE ARG 28 4.596 -9.162 5.867
217 HH11 ARG 28 1HH1 ARG 28 1.785 -9.768 7.905
218 HH12 ARG 28 2HH1 ARG 28 1.814 -11.451 7.731
219 HH21 ARG 28 1HH2 ARG 28 4.678 -11.443 5.605
220 HH22 ARG 28 2HH2 ARG 28 3.543 -12.451 6.366
221 H TRP 29 H TRP 29 3.061 -3.399 3.021
222 HA TRP 29 HA TRP 29 0.754 -2.276 4.230
223 HB2 TRP 29 2HB TRP 29 1.903 -0.341 5.274
224 HB3 TRP 29 1HB TRP 29 2.316 -1.843 6.069
225 HD1 TRP 29 HD TRP 29 4.059 -0.152 3.006
226 HE1 TRP 29 1HE TRP 29 6.573 0.188 3.625
227 HE3 TRP 29 3HE TRP 29 3.975 -1.825 7.821
228 HZ2 TRP 29 2HZ TRP 29 8.221 -0.172 5.828
229 HZ3 TRP 29 3HZ TRP 29 6.058 -1.781 9.120
230 HH2 TRP 29 HH TRP 29 8.137 -0.968 8.134
231 H CYS 30 H CYS 30 0.356 -0.102 3.357
232 HA CYS 30 HA CYS 30 1.026 0.013 0.581
233 HB2 CYS 30 2HB CYS 30 -0.463 1.884 2.377
234 HB3 CYS 30 1HB CYS 30 -0.198 2.240 0.683
235 H LYS 31 H LYS 31 2.972 0.436 0.025
236 HA LYS 31 HA LYS 31 4.340 2.690 1.310
237 HB2 LYS 31 2HB LYS 31 6.424 1.643 0.895
238 HB3 LYS 31 1HB LYS 31 5.394 0.389 1.524
239 HG2 LYS 31 2HG LYS 31 5.067 -0.510 -0.710
240 HG3 LYS 31 1HG LYS 31 6.042 0.793 -1.389
241 HD2 LYS 31 2HD LYS 31 7.020 -1.273 0.591
242 HD3 LYS 31 1HD LYS 31 7.319 -1.314 -1.140
243 HE2 LYS 31 2HE LYS 31 8.260 0.892 0.726
244 HE3 LYS 31 1HE LYS 31 9.241 -0.464 0.196
245 HZ1 LYS 31 1HZ LYS 31 9.010 0.338 -2.091
246 HZ2 LYS 31 2HZ LYS 31 9.713 1.488 -1.112
247 HZ3 LYS 31 3HZ LYS 31 8.119 1.673 -1.574
248 H TYR 32 H TYR 32 5.963 3.693 -0.227
249 HA TYR 32 HA TYR 32 4.599 4.444 -2.660
250 HB2 TYR 32 2HB TYR 32 7.205 5.360 -1.391
251 HB3 TYR 32 1HB TYR 32 6.548 6.018 -2.879
252 HD1 TYR 32 1HD TYR 32 5.660 5.532 0.728
253 HD2 TYR 32 2HD TYR 32 5.184 7.876 -2.782
254 HE1 TYR 32 1HE TYR 32 4.397 7.180 2.016
255 HE2 TYR 32 2HE TYR 32 3.916 9.540 -1.508
256 HH TYR 32 HH TYR 32 2.579 9.636 0.575
257 H VAL 33 H VAL 33 5.182 3.643 -4.624
258 HA VAL 33 HA VAL 33 7.430 1.829 -4.573
259 HB VAL 33 HB VAL 33 6.484 0.749 -6.589
260 HG11 VAL 33 1HG1 VAL 33 4.601 0.874 -4.240
261 HG12 VAL 33 2HG1 VAL 33 6.000 -0.186 -4.404
262 HG13 VAL 33 3HG1 VAL 33 4.614 -0.386 -5.474
263 HG21 VAL 33 1HG2 VAL 33 4.173 1.221 -7.261
264 HG22 VAL 33 2HG2 VAL 33 5.214 2.627 -7.486
265 HG23 VAL 33 3HG2 VAL 33 4.115 2.553 -6.110
266 H PHE 34 H PHE 34 9.020 2.047 -5.781
267 HA PHE 34 HA PHE 34 9.153 4.309 -7.649
268 HB2 PHE 34 2HB PHE 34 11.362 3.166 -5.898
269 HB3 PHE 34 1HB PHE 34 11.549 4.487 -7.044
270 HD1 PHE 34 1HD PHE 34 10.844 6.691 -6.491
271 HD2 PHE 34 2HD PHE 34 10.129 3.485 -3.808
272 HE1 PHE 34 1HE PHE 34 10.291 8.301 -4.718
273 HE2 PHE 34 2HE PHE 34 9.572 5.084 -2.033
274 HZ PHE 34 HZ PHE 34 9.653 7.498 -2.482