Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
645441 | 6px8 RC | 30648 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -6.550 -3.468 8.588
2 H2 GLY 1 2HT GLY 1 -7.918 -4.337 8.130
3 H3 GLY 1 3HT GLY 1 -8.017 -3.154 9.332
4 HA2 GLY 1 1HA GLY 1 -8.917 -2.324 7.264
5 HA3 GLY 1 2HA GLY 1 -7.493 -1.433 7.779
6 H ILE 2 H ILE 2 -5.541 -1.724 6.687
7 HA ILE 2 HA ILE 2 -5.898 -2.218 3.937
8 HB ILE 2 HB ILE 2 -3.361 -1.901 3.813
9 HG12 ILE 2 2HG1 ILE 2 -3.817 -1.134 6.711
10 HG13 ILE 2 1HG1 ILE 2 -2.815 -2.460 6.134
11 HG21 ILE 2 1HG2 ILE 2 -5.138 0.257 4.903
12 HG22 ILE 2 2HG2 ILE 2 -4.914 -0.181 3.208
13 HG23 ILE 2 3HG2 ILE 2 -3.585 0.534 4.119
14 HD11 ILE 2 1HD1 ILE 2 -1.465 -0.583 6.840
15 HD12 ILE 2 2HD1 ILE 2 -2.318 0.476 5.717
16 HD13 ILE 2 3HD1 ILE 2 -1.304 -0.828 5.100
17 H THR 3 H THR 3 -5.794 -3.932 2.865
18 HA THR 3 HA THR 3 -4.634 -6.361 4.027
19 HB THR 3 HB THR 3 -7.133 -6.076 2.380
20 HG1 THR 3 1HG THR 3 -7.610 -5.160 4.336
21 HG21 THR 3 1HG2 THR 3 -6.093 -8.403 4.035
22 HG22 THR 3 2HG2 THR 3 -6.089 -8.310 2.276
23 HG23 THR 3 3HG2 THR 3 -7.618 -8.390 3.149
24 H CYS 4 H CYS 4 -3.806 -7.785 2.410
25 HA CYS 4 HA CYS 4 -3.495 -6.565 -0.231
26 HB2 CYS 4 2HB CYS 4 -1.536 -8.307 1.240
27 HB3 CYS 4 1HB CYS 4 -1.316 -7.654 -0.380
28 H ASP 5 H ASP 5 -5.019 -7.601 -1.336
29 HA ASP 5 HA ASP 5 -5.135 -10.531 -1.246
30 HB2 ASP 5 2HB ASP 5 -7.271 -9.177 -1.400
31 HB3 ASP 5 1HB ASP 5 -6.722 -8.604 -2.976
32 H LEU 6 H LEU 6 -4.237 -7.771 -3.135
33 HA LEU 6 HA LEU 6 -2.997 -9.444 -5.139
34 HB2 LEU 6 2HB LEU 6 -3.531 -6.473 -5.026
35 HB3 LEU 6 1HB LEU 6 -2.878 -7.339 -6.396
36 HG LEU 6 HG LEU 6 -5.678 -7.545 -5.296
37 HD11 LEU 6 1HD1 LEU 6 -6.324 -6.558 -7.420
38 HD12 LEU 6 2HD1 LEU 6 -4.625 -6.426 -7.876
39 HD13 LEU 6 3HD1 LEU 6 -5.247 -5.495 -6.514
40 HD21 LEU 6 1HD2 LEU 6 -4.977 -9.694 -6.126
41 HD22 LEU 6 2HD2 LEU 6 -4.392 -8.958 -7.617
42 HD23 LEU 6 3HD2 LEU 6 -6.122 -8.963 -7.254
43 H ILE 7 H ILE 7 -0.828 -9.071 -5.435
44 HA ILE 7 HA ILE 7 0.514 -7.708 -3.224
45 HB ILE 7 HB ILE 7 1.583 -9.928 -5.002
46 HG12 ILE 7 2HG1 ILE 7 0.803 -9.915 -2.076
47 HG13 ILE 7 1HG1 ILE 7 -0.062 -10.722 -3.374
48 HG21 ILE 7 1HG2 ILE 7 3.545 -9.920 -3.519
49 HG22 ILE 7 2HG2 ILE 7 2.888 -8.523 -2.666
50 HG23 ILE 7 3HG2 ILE 7 3.357 -8.381 -4.361
51 HD11 ILE 7 1HD1 ILE 7 2.709 -11.369 -2.425
52 HD12 ILE 7 2HD1 ILE 7 1.851 -12.188 -3.731
53 HD13 ILE 7 3HD1 ILE 7 1.249 -12.298 -2.073
54 H GLY 8 H GLY 8 1.205 -5.834 -3.760
55 HA2 GLY 8 2HA GLY 8 2.477 -4.226 -4.929
56 HA3 GLY 8 1HA GLY 8 2.716 -5.403 -6.212
57 H ASN 9 H ASN 9 0.020 -5.998 -6.666
58 HA ASN 9 HA ASN 9 -0.723 -3.712 -8.357
59 HB2 ASN 9 2HB ASN 9 -1.946 -6.473 -8.117
60 HB3 ASN 9 1HB ASN 9 -2.448 -5.265 -9.284
61 HD21 ASN 9 1HD2 ASN 9 -0.056 -7.634 -8.471
62 HD22 ASN 9 2HD2 ASN 9 0.823 -7.562 -9.944
63 H GLU 10 H GLU 10 -1.074 -4.206 -5.396
64 HA GLU 10 HA GLU 10 -3.895 -4.197 -4.961
65 HB2 GLU 10 2HB GLU 10 -2.362 -5.529 -3.624
66 HB3 GLU 10 1HB GLU 10 -1.542 -4.099 -3.072
67 HG2 GLU 10 2HG GLU 10 -2.991 -4.973 -1.423
68 HG3 GLU 10 1HG GLU 10 -3.560 -3.386 -1.967
69 H ARG 11 H ARG 11 -4.000 -2.217 -6.192
70 HA ARG 11 HA ARG 11 -2.970 0.293 -5.428
71 HB2 ARG 11 2HB ARG 11 -3.975 -0.146 -7.638
72 HB3 ARG 11 1HB ARG 11 -5.561 -0.232 -6.886
73 HG2 ARG 11 2HG ARG 11 -5.368 2.110 -6.198
74 HG3 ARG 11 1HG ARG 11 -3.774 2.197 -6.947
75 HD2 ARG 11 2HD ARG 11 -6.377 1.629 -8.357
76 HD3 ARG 11 1HD ARG 11 -5.479 3.145 -8.399
77 HE ARG 11 HE ARG 11 -3.689 1.294 -9.225
78 HH11 ARG 11 1HH1 ARG 11 -6.917 2.212 -10.340
79 HH12 ARG 11 2HH1 ARG 11 -6.599 1.859 -11.977
80 HH21 ARG 11 1HH2 ARG 11 -3.283 0.743 -11.476
81 HH22 ARG 11 2HH2 ARG 11 -4.494 0.982 -12.632
82 H LEU 12 H LEU 12 -5.757 -1.463 -4.316
83 HA LEU 12 HA LEU 12 -7.023 0.654 -2.951
84 HB2 LEU 12 2HB LEU 12 -7.098 -2.311 -2.411
85 HB3 LEU 12 1HB LEU 12 -8.172 -1.144 -1.663
86 HG LEU 12 HG LEU 12 -8.050 -1.832 -4.603
87 HD11 LEU 12 1HD1 LEU 12 -9.024 -3.598 -3.265
88 HD12 LEU 12 2HD1 LEU 12 -10.258 -2.791 -4.232
89 HD13 LEU 12 3HD1 LEU 12 -10.121 -2.443 -2.509
90 HD21 LEU 12 1HD2 LEU 12 -10.051 -0.431 -4.806
91 HD22 LEU 12 2HD2 LEU 12 -8.652 0.506 -4.295
92 HD23 LEU 12 3HD2 LEU 12 -9.885 0.051 -3.117
93 H CYS 13 H CYS 13 -4.248 -1.273 -2.191
94 HA CYS 13 HA CYS 13 -4.237 -0.243 0.503
95 HB2 CYS 13 2HB CYS 13 -3.415 -2.504 0.280
96 HB3 CYS 13 1HB CYS 13 -2.283 -2.015 -0.986
97 H VAL 14 H VAL 14 -2.431 0.120 -2.518
98 HA VAL 14 HA VAL 14 -0.434 1.904 -1.800
99 HB VAL 14 HB VAL 14 -1.984 2.016 -4.393
100 HG11 VAL 14 1HG1 VAL 14 0.109 2.864 -5.377
101 HG12 VAL 14 2HG1 VAL 14 0.842 2.867 -3.774
102 HG13 VAL 14 3HG1 VAL 14 -0.523 3.929 -4.120
103 HG21 VAL 14 1HG2 VAL 14 -1.217 -0.266 -3.961
104 HG22 VAL 14 2HG2 VAL 14 0.433 0.324 -3.732
105 HG23 VAL 14 3HG2 VAL 14 -0.348 0.456 -5.311
106 H VAL 15 H VAL 15 -3.775 2.657 -2.701
107 HA VAL 15 HA VAL 15 -3.572 5.436 -2.770
108 HB VAL 15 HB VAL 15 -5.505 4.208 -3.662
109 HG11 VAL 15 1HG1 VAL 15 -7.293 3.431 -2.202
110 HG12 VAL 15 2HG1 VAL 15 -6.260 3.752 -0.806
111 HG13 VAL 15 3HG1 VAL 15 -5.790 2.533 -1.989
112 HG21 VAL 15 1HG2 VAL 15 -7.305 5.716 -2.915
113 HG22 VAL 15 2HG2 VAL 15 -5.803 6.576 -3.245
114 HG23 VAL 15 3HG2 VAL 15 -6.282 6.247 -1.581
115 H HIS 16 H HIS 16 -3.868 3.292 -0.030
116 HA HIS 16 HA HIS 16 -4.624 5.256 1.880
117 HB2 HIS 16 2HB HIS 16 -4.991 2.948 2.449
118 HB3 HIS 16 1HB HIS 16 -3.318 2.537 2.125
119 HD1 HIS 16 1HD HIS 16 -5.234 4.713 4.631
120 HD2 HIS 16 2HD HIS 16 -1.817 2.393 4.279
121 HE1 HIS 16 1HE HIS 16 -4.085 4.786 6.909
122 H CYS 17 H CYS 17 -1.595 3.989 0.754
123 HA CYS 17 HA CYS 17 0.086 5.447 2.506
124 HB2 CYS 17 2HB CYS 17 0.690 4.444 -0.279
125 HB3 CYS 17 1HB CYS 17 1.861 4.830 0.977
126 H LEU 18 H LEU 18 -1.206 6.088 -0.722
127 HA LEU 18 HA LEU 18 0.156 8.549 -1.104
128 HB2 LEU 18 2HB LEU 18 -2.378 7.498 -2.357
129 HB3 LEU 18 1HB LEU 18 -1.500 8.905 -2.914
130 HG LEU 18 HG LEU 18 -0.416 6.085 -2.902
131 HD11 LEU 18 1HD1 LEU 18 -0.660 6.214 -5.335
132 HD12 LEU 18 2HD1 LEU 18 -1.458 7.779 -5.165
133 HD13 LEU 18 3HD1 LEU 18 -2.213 6.326 -4.510
134 HD21 LEU 18 1HD2 LEU 18 0.688 8.643 -4.058
135 HD22 LEU 18 2HD2 LEU 18 1.369 7.036 -4.293
136 HD23 LEU 18 3HD2 LEU 18 1.345 7.753 -2.683
137 H ALA 19 H ALA 19 -2.925 7.694 0.350
138 HA ALA 19 HA ALA 19 -3.948 10.307 0.593
139 HB1 ALA 19 1HB ALA 19 -4.498 7.871 2.283
140 HB2 ALA 19 2HB ALA 19 -5.352 8.317 0.805
141 HB3 ALA 19 3HB ALA 19 -5.474 9.338 2.242
142 H LYS 20 H LYS 20 -1.985 8.289 2.700
143 HA LYS 20 HA LYS 20 -1.848 10.167 4.828
144 HB2 LYS 20 2HB LYS 20 0.011 7.919 4.091
145 HB3 LYS 20 1HB LYS 20 0.133 8.849 5.578
146 HG2 LYS 20 2HG LYS 20 -2.110 8.104 6.217
147 HG3 LYS 20 1HG LYS 20 -2.205 7.157 4.734
148 HD2 LYS 20 2HD LYS 20 -0.074 6.804 6.816
149 HD3 LYS 20 1HD LYS 20 -1.558 5.836 6.770
150 HE2 LYS 20 2HE LYS 20 -0.884 5.126 4.482
151 HE3 LYS 20 1HE LYS 20 0.630 5.999 4.710
152 HZ1 LYS 20 1HZ LYS 20 -0.351 3.729 6.335
153 HZ2 LYS 20 2HZ LYS 20 1.074 4.543 6.646
154 HZ3 LYS 20 3HZ LYS 20 0.918 3.645 5.252
155 H GLY 21 H GLY 21 0.040 9.690 1.935
156 HA2 GLY 21 2HA GLY 21 0.955 11.822 1.039
157 HA3 GLY 21 1HA GLY 21 1.531 12.132 2.671
158 H PHE 22 H PHE 22 1.710 8.924 1.600
159 HA PHE 22 HA PHE 22 4.570 9.003 1.589
160 HB2 PHE 22 2HB PHE 22 2.478 6.929 1.680
161 HB3 PHE 22 1HB PHE 22 3.957 6.414 0.859
162 HD1 PHE 22 1HD PHE 22 6.045 6.577 2.056
163 HD2 PHE 22 2HD PHE 22 2.310 7.083 3.969
164 HE1 PHE 22 1HE PHE 22 7.101 6.077 4.127
165 HE2 PHE 22 2HE PHE 22 3.358 6.573 6.138
166 HZ PHE 22 HZ PHE 22 5.768 6.069 6.248
167 H ARG 23 H ARG 23 5.834 8.172 -0.165
168 HA ARG 23 HA ARG 23 5.241 9.178 -2.720
169 HB2 ARG 23 2HB ARG 23 7.106 6.911 -1.989
170 HB3 ARG 23 1HB ARG 23 7.110 7.777 -3.514
171 HG2 ARG 23 2HG ARG 23 7.806 9.798 -2.409
172 HG3 ARG 23 1HG ARG 23 7.694 9.016 -0.834
173 HD2 ARG 23 2HD ARG 23 9.384 7.369 -1.597
174 HD3 ARG 23 1HD ARG 23 9.562 8.300 -3.083
175 HE ARG 23 HE ARG 23 9.916 10.060 -1.012
176 HH11 ARG 23 1HH1 ARG 23 11.515 7.169 -2.239
177 HH12 ARG 23 2HH1 ARG 23 13.054 7.522 -1.607
178 HH21 ARG 23 1HH2 ARG 23 12.039 10.604 -0.112
179 HH22 ARG 23 2HH2 ARG 23 13.345 9.537 -0.329
180 H GLY 24 H GLY 24 4.535 6.184 -1.133
181 HA2 GLY 24 2HA GLY 24 2.385 5.455 -2.594
182 HA3 GLY 24 1HA GLY 24 3.751 4.796 -3.493
183 H GLY 25 H GLY 25 2.520 2.804 -2.855
184 HA2 GLY 25 2HA GLY 25 3.728 1.754 -0.480
185 HA3 GLY 25 1HA GLY 25 1.964 1.791 -0.508
186 H TRP 26 H TRP 26 3.267 -0.568 -0.322
187 HA TRP 26 HA TRP 26 2.343 -1.874 -2.687
188 HB2 TRP 26 2HB TRP 26 4.413 -2.863 -3.384
189 HB3 TRP 26 1HB TRP 26 4.696 -1.133 -3.279
190 HD1 TRP 26 HD TRP 26 6.154 -4.351 -2.274
191 HE1 TRP 26 1HE TRP 26 8.037 -4.059 -0.567
192 HE3 TRP 26 3HE TRP 26 5.324 0.507 -0.981
193 HZ2 TRP 26 2HZ TRP 26 9.042 -2.037 1.140
194 HZ3 TRP 26 3HZ TRP 26 6.759 1.555 0.709
195 HH2 TRP 26 HH TRP 26 8.607 0.290 1.749
196 H CYS 27 H CYS 27 2.127 -4.066 -2.314
197 HA CYS 27 HA CYS 27 2.413 -4.871 0.461
198 HB2 CYS 27 2HB CYS 27 0.990 -6.150 -1.868
199 HB3 CYS 27 1HB CYS 27 1.076 -6.847 -0.251
200 H ASP 28 H ASP 28 3.939 -6.227 1.042
201 HA ASP 28 HA ASP 28 5.816 -6.960 -1.072
202 HB2 ASP 28 2HB ASP 28 7.469 -7.283 0.601
203 HB3 ASP 28 1HB ASP 28 6.585 -5.843 1.077
204 H SER 29 H SER 29 7.029 -9.171 -0.287
205 HA SER 29 HA SER 29 5.384 -11.243 -1.063
206 HB2 SER 29 2HB SER 29 7.961 -11.351 0.488
207 HB3 SER 29 1HB SER 29 7.258 -12.674 -0.448
208 HG SER 29 HG SER 29 7.488 -11.495 -2.285
209 H ARG 30 H ARG 30 5.882 -9.935 2.161
210 HA ARG 30 HA ARG 30 4.846 -12.238 3.525
211 HB2 ARG 30 2HB ARG 30 5.354 -9.414 4.413
212 HB3 ARG 30 1HB ARG 30 4.771 -10.685 5.472
213 HG2 ARG 30 2HG ARG 30 6.801 -11.934 5.156
214 HG3 ARG 30 1HG ARG 30 7.371 -10.753 3.972
215 HD2 ARG 30 2HD ARG 30 8.367 -10.428 6.206
216 HD3 ARG 30 1HD ARG 30 7.441 -9.032 5.657
217 HE ARG 30 HE ARG 30 5.676 -10.532 7.112
218 HH11 ARG 30 1HH1 ARG 30 8.791 -9.043 7.789
219 HH12 ARG 30 2HH1 ARG 30 8.452 -8.745 9.423
220 HH21 ARG 30 1HH2 ARG 30 5.185 -10.122 9.319
221 HH22 ARG 30 2HH2 ARG 30 6.311 -9.351 10.330
222 H LYS 31 H LYS 31 3.366 -10.079 1.541
223 HA LYS 31 HA LYS 31 1.216 -9.587 1.068
224 HB2 LYS 31 2HB LYS 31 0.684 -11.550 3.299
225 HB3 LYS 31 1HB LYS 31 -0.606 -10.794 2.367
226 HG2 LYS 31 2HG LYS 31 1.519 -12.112 0.809
227 HG3 LYS 31 1HG LYS 31 0.509 -13.184 1.781
228 HD2 LYS 31 2HD LYS 31 -0.610 -11.113 -0.098
229 HD3 LYS 31 1HD LYS 31 -0.273 -12.779 -0.582
230 HE2 LYS 31 2HE LYS 31 -1.762 -13.591 1.178
231 HE3 LYS 31 1HE LYS 31 -2.107 -11.940 1.667
232 HZ1 LYS 31 1HZ LYS 31 -2.718 -13.046 -1.011
233 HZ2 LYS 31 2HZ LYS 31 -3.215 -11.536 -0.363
234 HZ3 LYS 31 3HZ LYS 31 -3.791 -12.977 0.281
235 H VAL 32 H VAL 32 2.878 -8.207 3.082
236 HA VAL 32 HA VAL 32 0.837 -6.907 4.732
237 HB VAL 32 HB VAL 32 3.867 -6.760 4.908
238 HG11 VAL 32 1HG1 VAL 32 3.511 -5.698 7.090
239 HG12 VAL 32 2HG1 VAL 32 1.769 -5.729 6.818
240 HG13 VAL 32 3HG1 VAL 32 2.805 -4.749 5.782
241 HG21 VAL 32 1HG2 VAL 32 3.664 -8.127 6.933
242 HG22 VAL 32 2HG2 VAL 32 3.078 -8.984 5.506
243 HG23 VAL 32 3HG2 VAL 32 1.932 -8.286 6.648
244 H CYS 33 H CYS 33 0.372 -4.873 4.500
245 HA CYS 33 HA CYS 33 1.119 -3.418 2.175
246 HB2 CYS 33 2HB CYS 33 -0.619 -2.935 4.550
247 HB3 CYS 33 1HB CYS 33 -0.106 -1.572 3.559
248 H ASN 34 H ASN 34 2.900 -2.224 1.970
249 HA ASN 34 HA ASN 34 4.044 -0.998 4.381
250 HB2 ASN 34 2HB ASN 34 5.606 -1.932 1.949
251 HB3 ASN 34 1HB ASN 34 6.269 -1.266 3.429
252 HD21 ASN 34 1HD2 ASN 34 4.998 -4.008 1.865
253 HD22 ASN 34 2HD2 ASN 34 5.345 -5.205 3.042
254 H CYS 35 H CYS 35 4.433 1.174 4.136
255 HA CYS 35 HA CYS 35 3.996 2.306 1.439
256 HB2 CYS 35 2HB CYS 35 3.582 3.687 4.094
257 HB3 CYS 35 1HB CYS 35 3.197 4.322 2.512
258 H ARG 36 H ARG 36 5.638 3.442 0.554
259 HA ARG 36 HA ARG 36 7.428 5.119 1.769
260 HB2 ARG 36 2HB ARG 36 8.205 2.978 2.930
261 HB3 ARG 36 1HB ARG 36 8.761 2.445 1.353
262 HG2 ARG 36 2HG ARG 36 10.280 4.332 1.224
263 HG3 ARG 36 1HG ARG 36 9.692 4.918 2.781
264 HD2 ARG 36 2HD ARG 36 11.140 2.315 2.277
265 HD3 ARG 36 1HD ARG 36 11.799 3.737 3.088
266 HE ARG 36 HE ARG 36 9.571 3.104 4.515
267 HH11 ARG 36 1HH1 ARG 36 12.601 1.438 3.750
268 HH12 ARG 36 2HH1 ARG 36 12.472 0.337 5.039
269 HH21 ARG 36 1HH2 ARG 36 9.399 1.605 6.259
270 HH22 ARG 36 2HH2 ARG 36 10.608 0.435 6.522
271 H ARG 37 H ARG 37 6.996 2.614 -0.684
272 HA ARG 37 HA ARG 37 8.684 4.115 -2.535
273 HB2 ARG 37 2HB ARG 37 7.803 1.245 -2.629
274 HB3 ARG 37 1HB ARG 37 8.955 2.021 -3.709
275 HG2 ARG 37 2HG ARG 37 10.499 2.294 -1.838
276 HG3 ARG 37 1HG ARG 37 9.287 1.555 -0.774
277 HD2 ARG 37 2HD ARG 37 9.354 -0.481 -2.094
278 HD3 ARG 37 1HD ARG 37 10.576 0.225 -3.154
279 HE ARG 37 HE ARG 37 11.743 0.420 -0.785
280 HH11 ARG 37 1HH1 ARG 37 10.059 -2.301 -2.297
281 HH12 ARG 37 2HH1 ARG 37 10.994 -3.509 -1.541
282 HH21 ARG 37 1HH2 ARG 37 13.049 -1.245 0.255
283 HH22 ARG 37 2HH2 ARG 37 12.748 -2.890 -0.067
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -9.652 0.173 6.482
2 H2 GLY 1 2HT GLY 1 -9.580 -1.410 5.862
3 H3 GLY 1 3HT GLY 1 -9.443 -0.095 4.820
4 HA2 GLY 1 1HA GLY 1 -7.383 0.550 5.914
5 HA3 GLY 1 2HA GLY 1 -7.555 -0.848 6.968
6 H ILE 2 H ILE 2 -5.338 -1.078 5.914
7 HA ILE 2 HA ILE 2 -5.127 -1.896 3.240
8 HB ILE 2 HB ILE 2 -2.915 -2.833 3.967
9 HG12 ILE 2 2HG1 ILE 2 -3.805 -1.731 6.653
10 HG13 ILE 2 1HG1 ILE 2 -3.484 -3.408 6.258
11 HG21 ILE 2 1HG2 ILE 2 -3.141 -0.591 3.094
12 HG22 ILE 2 2HG2 ILE 2 -1.948 -0.622 4.392
13 HG23 ILE 2 3HG2 ILE 2 -3.564 0.013 4.695
14 HD11 ILE 2 1HD1 ILE 2 -1.159 -2.942 5.977
15 HD12 ILE 2 2HD1 ILE 2 -1.691 -2.331 7.546
16 HD13 ILE 2 3HD1 ILE 2 -1.447 -1.219 6.192
17 H THR 3 H THR 3 -5.307 -3.775 2.260
18 HA THR 3 HA THR 3 -5.294 -6.247 3.724
19 HB THR 3 HB THR 3 -7.530 -5.583 1.773
20 HG1 THR 3 1HG THR 3 -7.243 -5.180 4.497
21 HG21 THR 3 1HG2 THR 3 -6.953 -7.975 1.974
22 HG22 THR 3 2HG2 THR 3 -8.552 -7.647 2.642
23 HG23 THR 3 3HG2 THR 3 -7.177 -7.880 3.721
24 H CYS 4 H CYS 4 -4.585 -7.969 2.291
25 HA CYS 4 HA CYS 4 -3.664 -6.906 -0.264
26 HB2 CYS 4 2HB CYS 4 -2.388 -9.040 1.427
27 HB3 CYS 4 1HB CYS 4 -1.846 -8.518 -0.167
28 H ASP 5 H ASP 5 -4.947 -7.585 -1.796
29 HA ASP 5 HA ASP 5 -5.765 -10.379 -1.861
30 HB2 ASP 5 2HB ASP 5 -7.547 -8.892 -2.444
31 HB3 ASP 5 1HB ASP 5 -6.501 -7.928 -3.467
32 H LEU 6 H LEU 6 -4.061 -7.901 -3.654
33 HA LEU 6 HA LEU 6 -2.500 -9.987 -4.976
34 HB2 LEU 6 2HB LEU 6 -3.036 -7.127 -5.833
35 HB3 LEU 6 1HB LEU 6 -1.955 -8.211 -6.668
36 HG LEU 6 HG LEU 6 -4.939 -8.581 -6.399
37 HD11 LEU 6 1HD1 LEU 6 -4.986 -8.101 -8.784
38 HD12 LEU 6 2HD1 LEU 6 -3.247 -7.815 -8.767
39 HD13 LEU 6 3HD1 LEU 6 -4.324 -6.739 -7.878
40 HD21 LEU 6 1HD2 LEU 6 -2.883 -10.186 -7.919
41 HD22 LEU 6 2HD2 LEU 6 -4.627 -10.392 -8.024
42 HD23 LEU 6 3HD2 LEU 6 -3.794 -10.729 -6.508
43 H ILE 7 H ILE 7 -0.329 -9.108 -5.467
44 HA ILE 7 HA ILE 7 0.837 -7.694 -3.164
45 HB ILE 7 HB ILE 7 2.057 -9.818 -4.974
46 HG12 ILE 7 2HG1 ILE 7 1.262 -9.929 -2.058
47 HG13 ILE 7 1HG1 ILE 7 0.475 -10.755 -3.387
48 HG21 ILE 7 1HG2 ILE 7 3.309 -8.392 -2.627
49 HG22 ILE 7 2HG2 ILE 7 3.748 -8.197 -4.323
50 HG23 ILE 7 3HG2 ILE 7 4.028 -9.739 -3.512
51 HD11 ILE 7 1HD1 ILE 7 2.447 -12.130 -3.744
52 HD12 ILE 7 2HD1 ILE 7 1.879 -12.272 -2.079
53 HD13 ILE 7 3HD1 ILE 7 3.286 -11.276 -2.453
54 H GLY 8 H GLY 8 1.950 -5.850 -3.698
55 HA2 GLY 8 2HA GLY 8 2.993 -4.244 -5.010
56 HA3 GLY 8 1HA GLY 8 3.037 -5.420 -6.310
57 H ASN 9 H ASN 9 0.350 -5.889 -6.658
58 HA ASN 9 HA ASN 9 -0.408 -3.484 -8.190
59 HB2 ASN 9 2HB ASN 9 -1.489 -6.310 -8.199
60 HB3 ASN 9 1HB ASN 9 -2.103 -5.016 -9.208
61 HD21 ASN 9 1HD2 ASN 9 -1.649 -6.200 -11.034
62 HD22 ASN 9 2HD2 ASN 9 -0.040 -6.441 -11.592
63 H GLU 10 H GLU 10 -0.772 -4.114 -5.276
64 HA GLU 10 HA GLU 10 -3.617 -4.320 -5.073
65 HB2 GLU 10 2HB GLU 10 -2.213 -5.734 -3.702
66 HB3 GLU 10 1HB GLU 10 -1.501 -4.331 -2.931
67 HG2 GLU 10 2HG GLU 10 -3.182 -5.367 -1.592
68 HG3 GLU 10 1HG GLU 10 -3.611 -3.706 -2.084
69 H ARG 11 H ARG 11 -3.898 -2.392 -6.033
70 HA ARG 11 HA ARG 11 -3.113 0.155 -5.237
71 HB2 ARG 11 2HB ARG 11 -4.242 -0.353 -7.340
72 HB3 ARG 11 1HB ARG 11 -5.734 -0.633 -6.462
73 HG2 ARG 11 2HG ARG 11 -5.846 1.669 -5.810
74 HG3 ARG 11 1HG ARG 11 -4.271 1.994 -6.541
75 HD2 ARG 11 2HD ARG 11 -6.768 1.103 -7.962
76 HD3 ARG 11 1HD ARG 11 -6.013 2.699 -8.046
77 HE ARG 11 HE ARG 11 -4.011 1.226 -8.825
78 HH11 ARG 11 1HH1 ARG 11 -7.393 1.060 -9.820
79 HH12 ARG 11 2HH1 ARG 11 -7.068 0.335 -11.327
80 HH21 ARG 11 1HH2 ARG 11 -3.562 0.178 -10.889
81 HH22 ARG 11 2HH2 ARG 11 -4.839 -0.127 -11.970
82 H LEU 12 H LEU 12 -5.761 -1.794 -3.988
83 HA LEU 12 HA LEU 12 -6.853 0.270 -2.396
84 HB2 LEU 12 2HB LEU 12 -7.126 -2.726 -2.151
85 HB3 LEU 12 1HB LEU 12 -8.044 -1.572 -1.201
86 HG LEU 12 HG LEU 12 -8.178 -1.880 -4.205
87 HD11 LEU 12 1HD1 LEU 12 -9.251 -3.720 -3.063
88 HD12 LEU 12 2HD1 LEU 12 -10.454 -2.663 -3.799
89 HD13 LEU 12 3HD1 LEU 12 -10.162 -2.590 -2.062
90 HD21 LEU 12 1HD2 LEU 12 -9.709 -0.052 -2.355
91 HD22 LEU 12 2HD2 LEU 12 -10.065 -0.307 -4.061
92 HD23 LEU 12 3HD2 LEU 12 -8.543 0.439 -3.589
93 H CYS 13 H CYS 13 -4.118 -1.659 -2.047
94 HA CYS 13 HA CYS 13 -3.798 -1.098 0.770
95 HB2 CYS 13 2HB CYS 13 -2.884 -3.172 0.067
96 HB3 CYS 13 1HB CYS 13 -2.149 -2.450 -1.359
97 H VAL 14 H VAL 14 -2.450 -0.146 -2.347
98 HA VAL 14 HA VAL 14 -0.475 1.659 -1.589
99 HB VAL 14 HB VAL 14 -2.251 1.866 -4.023
100 HG11 VAL 14 1HG1 VAL 14 -0.914 3.860 -3.721
101 HG12 VAL 14 2HG1 VAL 14 -0.313 2.939 -5.099
102 HG13 VAL 14 3HG1 VAL 14 0.547 2.887 -3.561
103 HG21 VAL 14 1HG2 VAL 14 -1.308 -0.375 -3.850
104 HG22 VAL 14 2HG2 VAL 14 0.306 0.306 -3.668
105 HG23 VAL 14 3HG2 VAL 14 -0.569 0.506 -5.187
106 H VAL 15 H VAL 15 -3.940 2.173 -1.974
107 HA VAL 15 HA VAL 15 -3.941 4.968 -1.893
108 HB VAL 15 HB VAL 15 -5.856 3.587 -2.618
109 HG11 VAL 15 1HG1 VAL 15 -5.903 1.912 -0.922
110 HG12 VAL 15 2HG1 VAL 15 -7.465 2.734 -0.983
111 HG13 VAL 15 3HG1 VAL 15 -6.313 3.111 0.300
112 HG21 VAL 15 1HG2 VAL 15 -7.638 5.036 -1.696
113 HG22 VAL 15 2HG2 VAL 15 -6.208 5.932 -2.212
114 HG23 VAL 15 3HG2 VAL 15 -6.483 5.621 -0.496
115 H HIS 16 H HIS 16 -3.532 2.715 0.663
116 HA HIS 16 HA HIS 16 -4.229 4.475 2.817
117 HB2 HIS 16 2HB HIS 16 -4.108 2.020 3.131
118 HB3 HIS 16 1HB HIS 16 -2.397 2.066 2.754
119 HD1 HIS 16 1HD HIS 16 -4.759 3.436 5.414
120 HD2 HIS 16 2HD HIS 16 -0.809 2.286 4.869
121 HE1 HIS 16 1HE HIS 16 -3.672 3.594 7.680
122 H CYS 17 H CYS 17 -1.314 3.671 1.113
123 HA CYS 17 HA CYS 17 0.485 5.308 2.584
124 HB2 CYS 17 2HB CYS 17 0.662 4.387 -0.279
125 HB3 CYS 17 1HB CYS 17 1.985 4.803 0.816
126 H LEU 18 H LEU 18 -1.506 5.751 -0.279
127 HA LEU 18 HA LEU 18 -0.577 8.334 -0.954
128 HB2 LEU 18 2HB LEU 18 -3.289 7.113 -1.477
129 HB3 LEU 18 1HB LEU 18 -2.624 8.498 -2.304
130 HG LEU 18 HG LEU 18 -1.638 5.652 -2.493
131 HD11 LEU 18 1HD1 LEU 18 -2.992 7.426 -4.510
132 HD12 LEU 18 2HD1 LEU 18 -3.714 6.043 -3.693
133 HD13 LEU 18 3HD1 LEU 18 -2.374 5.805 -4.815
134 HD21 LEU 18 1HD2 LEU 18 -0.098 6.473 -4.215
135 HD22 LEU 18 2HD2 LEU 18 0.246 7.203 -2.649
136 HD23 LEU 18 3HD2 LEU 18 -0.610 8.127 -3.887
137 H ALA 19 H ALA 19 -3.039 7.151 1.251
138 HA ALA 19 HA ALA 19 -4.206 9.659 1.838
139 HB1 ALA 19 1HB ALA 19 -5.244 8.511 3.722
140 HB2 ALA 19 2HB ALA 19 -4.154 7.142 3.500
141 HB3 ALA 19 3HB ALA 19 -5.347 7.529 2.259
142 H LYS 20 H LYS 20 -1.654 7.752 3.340
143 HA LYS 20 HA LYS 20 -1.196 9.652 5.407
144 HB2 LYS 20 2HB LYS 20 0.404 7.293 4.459
145 HB3 LYS 20 1HB LYS 20 1.007 8.362 5.720
146 HG2 LYS 20 2HG LYS 20 -0.969 7.848 7.080
147 HG3 LYS 20 1HG LYS 20 -1.557 6.771 5.815
148 HD2 LYS 20 2HD LYS 20 0.327 5.319 6.108
149 HD3 LYS 20 1HD LYS 20 1.081 6.444 7.243
150 HE2 LYS 20 2HE LYS 20 -0.734 6.105 8.816
151 HE3 LYS 20 1HE LYS 20 -1.576 5.082 7.657
152 HZ1 LYS 20 1HZ LYS 20 1.039 4.454 8.932
153 HZ2 LYS 20 2HZ LYS 20 0.246 3.502 7.796
154 HZ3 LYS 20 3HZ LYS 20 -0.445 3.765 9.310
155 H GLY 21 H GLY 21 -0.099 9.449 2.160
156 HA2 GLY 21 2HA GLY 21 0.531 11.618 1.198
157 HA3 GLY 21 1HA GLY 21 1.414 11.941 2.679
158 H PHE 22 H PHE 22 1.668 8.802 1.527
159 HA PHE 22 HA PHE 22 4.472 9.053 1.136
160 HB2 PHE 22 2HB PHE 22 2.503 6.853 1.101
161 HB3 PHE 22 1HB PHE 22 4.060 6.490 0.393
162 HD1 PHE 22 1HD PHE 22 2.201 7.085 3.419
163 HD2 PHE 22 2HD PHE 22 6.042 6.695 1.694
164 HE1 PHE 22 1HE PHE 22 3.159 6.689 5.647
165 HE2 PHE 22 2HE PHE 22 7.016 6.305 3.805
166 HZ PHE 22 HZ PHE 22 5.586 6.292 5.879
167 H ARG 23 H ARG 23 5.654 8.400 -0.704
168 HA ARG 23 HA ARG 23 4.697 9.417 -3.173
169 HB2 ARG 23 2HB ARG 23 7.071 7.613 -2.620
170 HB3 ARG 23 1HB ARG 23 6.775 8.465 -4.125
171 HG2 ARG 23 2HG ARG 23 7.339 9.736 -1.451
172 HG3 ARG 23 1HG ARG 23 8.467 9.587 -2.794
173 HD2 ARG 23 2HD ARG 23 6.980 10.984 -4.165
174 HD3 ARG 23 1HD ARG 23 5.882 11.135 -2.793
175 HE ARG 23 HE ARG 23 8.466 11.915 -2.038
176 HH11 ARG 23 1HH1 ARG 23 5.697 13.081 -3.919
177 HH12 ARG 23 2HH1 ARG 23 6.103 14.725 -3.759
178 HH21 ARG 23 1HH2 ARG 23 9.032 14.178 -1.825
179 HH22 ARG 23 2HH2 ARG 23 8.046 15.358 -2.554
180 H GLY 24 H GLY 24 4.446 6.440 -1.531
181 HA2 GLY 24 2HA GLY 24 2.426 5.441 -3.031
182 HA3 GLY 24 1HA GLY 24 3.881 4.861 -3.829
183 H GLY 25 H GLY 25 2.497 2.932 -3.045
184 HA2 GLY 25 2HA GLY 25 3.827 1.896 -0.742
185 HA3 GLY 25 1HA GLY 25 2.084 2.077 -0.606
186 H TRP 26 H TRP 26 3.164 -0.396 -0.465
187 HA TRP 26 HA TRP 26 1.840 -1.699 -2.613
188 HB2 TRP 26 2HB TRP 26 3.708 -2.867 -3.592
189 HB3 TRP 26 1HB TRP 26 4.058 -1.150 -3.668
190 HD1 TRP 26 HD TRP 26 5.716 -4.284 -2.959
191 HE1 TRP 26 1HE TRP 26 7.892 -3.939 -1.595
192 HE3 TRP 26 3HE TRP 26 4.983 0.475 -1.326
193 HZ2 TRP 26 2HZ TRP 26 9.093 -1.999 -0.054
194 HZ3 TRP 26 3HZ TRP 26 6.661 1.533 0.106
195 HH2 TRP 26 HH TRP 26 8.715 0.310 0.726
196 H CYS 27 H CYS 27 1.355 -3.762 -2.053
197 HA CYS 27 HA CYS 27 2.069 -4.623 0.618
198 HB2 CYS 27 2HB CYS 27 -0.245 -4.993 -0.194
199 HB3 CYS 27 1HB CYS 27 0.385 -5.971 -1.519
200 H ASP 28 H ASP 28 3.614 -6.109 1.019
201 HA ASP 28 HA ASP 28 5.138 -6.966 -1.327
202 HB2 ASP 28 2HB ASP 28 7.094 -7.157 0.050
203 HB3 ASP 28 1HB ASP 28 6.291 -5.681 0.524
204 H SER 29 H SER 29 6.521 -9.115 -0.419
205 HA SER 29 HA SER 29 4.743 -11.171 -0.999
206 HB2 SER 29 2HB SER 29 6.778 -12.595 -0.390
207 HB3 SER 29 1HB SER 29 6.969 -11.411 -1.684
208 HG SER 29 HG SER 29 8.015 -11.436 0.896
209 H ARG 30 H ARG 30 5.689 -9.839 2.063
210 HA ARG 30 HA ARG 30 4.899 -12.129 3.643
211 HB2 ARG 30 2HB ARG 30 5.359 -9.265 4.459
212 HB3 ARG 30 1HB ARG 30 5.220 -10.633 5.545
213 HG2 ARG 30 2HG ARG 30 7.315 -11.503 4.855
214 HG3 ARG 30 1HG ARG 30 7.390 -10.398 3.474
215 HD2 ARG 30 2HD ARG 30 7.472 -9.632 6.393
216 HD3 ARG 30 1HD ARG 30 8.819 -9.559 5.248
217 HE ARG 30 HE ARG 30 6.913 -8.101 4.049
218 HH11 ARG 30 1HH1 ARG 30 8.522 -7.813 7.197
219 HH12 ARG 30 2HH1 ARG 30 8.158 -6.168 7.398
220 HH21 ARG 30 1HH2 ARG 30 6.368 -5.937 4.326
221 HH22 ARG 30 2HH2 ARG 30 6.846 -5.028 5.702
222 H LYS 31 H LYS 31 3.090 -10.088 1.823
223 HA LYS 31 HA LYS 31 0.899 -9.483 1.693
224 HB2 LYS 31 2HB LYS 31 0.547 -11.130 4.224
225 HB3 LYS 31 1HB LYS 31 -0.761 -10.488 3.254
226 HG2 LYS 31 2HG LYS 31 1.246 -12.498 2.252
227 HG3 LYS 31 1HG LYS 31 -0.306 -12.920 2.970
228 HD2 LYS 31 2HD LYS 31 -1.423 -11.591 1.193
229 HD3 LYS 31 1HD LYS 31 0.156 -11.331 0.451
230 HE2 LYS 31 2HE LYS 31 0.459 -13.680 0.081
231 HE3 LYS 31 1HE LYS 31 -0.978 -14.060 1.024
232 HZ1 LYS 31 1HZ LYS 31 -1.344 -14.199 -1.384
233 HZ2 LYS 31 2HZ LYS 31 -1.021 -12.552 -1.538
234 HZ3 LYS 31 3HZ LYS 31 -2.345 -13.076 -0.645
235 H VAL 32 H VAL 32 2.932 -8.062 3.143
236 HA VAL 32 HA VAL 32 1.336 -6.558 5.094
237 HB VAL 32 HB VAL 32 4.358 -6.653 4.770
238 HG11 VAL 32 1HG1 VAL 32 3.599 -4.509 5.636
239 HG12 VAL 32 2HG1 VAL 32 4.434 -5.431 6.888
240 HG13 VAL 32 3HG1 VAL 32 2.676 -5.332 6.893
241 HG21 VAL 32 1HG2 VAL 32 4.399 -7.862 6.888
242 HG22 VAL 32 2HG2 VAL 32 3.491 -8.754 5.664
243 HG23 VAL 32 3HG2 VAL 32 2.638 -7.866 6.924
244 H CYS 33 H CYS 33 0.957 -4.516 4.753
245 HA CYS 33 HA CYS 33 1.665 -3.436 2.191
246 HB2 CYS 33 2HB CYS 33 -0.283 -2.636 4.322
247 HB3 CYS 33 1HB CYS 33 0.212 -1.509 3.061
248 H ASN 34 H ASN 34 3.239 -2.141 1.828
249 HA ASN 34 HA ASN 34 4.586 -0.826 4.102
250 HB2 ASN 34 2HB ASN 34 5.817 -1.604 1.454
251 HB3 ASN 34 1HB ASN 34 6.644 -1.016 2.886
252 HD21 ASN 34 1HD2 ASN 34 5.121 -3.651 1.359
253 HD22 ASN 34 2HD2 ASN 34 5.627 -4.893 2.445
254 H CYS 35 H CYS 35 4.823 1.315 3.853
255 HA CYS 35 HA CYS 35 4.272 2.494 1.195
256 HB2 CYS 35 2HB CYS 35 3.896 3.764 3.914
257 HB3 CYS 35 1HB CYS 35 3.407 4.425 2.363
258 H ARG 36 H ARG 36 5.752 3.620 0.282
259 HA ARG 36 HA ARG 36 7.704 5.159 1.460
260 HB2 ARG 36 2HB ARG 36 8.589 3.092 2.475
261 HB3 ARG 36 1HB ARG 36 8.696 2.360 0.883
262 HG2 ARG 36 2HG ARG 36 10.382 3.992 0.236
263 HG3 ARG 36 1HG ARG 36 10.259 4.749 1.826
264 HD2 ARG 36 2HD ARG 36 11.060 1.890 1.315
265 HD3 ARG 36 1HD ARG 36 12.182 3.211 1.645
266 HE ARG 36 HE ARG 36 10.629 3.367 3.772
267 HH11 ARG 36 1HH1 ARG 36 12.023 0.453 2.295
268 HH12 ARG 36 2HH1 ARG 36 12.199 -0.379 3.759
269 HH21 ARG 36 1HH2 ARG 36 10.866 2.208 5.796
270 HH22 ARG 36 2HH2 ARG 36 11.542 0.648 5.794
271 H ARG 37 H ARG 37 7.359 2.650 -1.038
272 HA ARG 37 HA ARG 37 9.023 4.208 -2.716
273 HB2 ARG 37 2HB ARG 37 9.458 2.197 -3.932
274 HB3 ARG 37 1HB ARG 37 9.128 1.796 -2.243
275 HG2 ARG 37 2HG ARG 37 7.181 0.799 -2.626
276 HG3 ARG 37 1HG ARG 37 6.981 1.491 -4.249
277 HD2 ARG 37 2HD ARG 37 9.042 -0.554 -3.385
278 HD3 ARG 37 1HD ARG 37 7.610 -0.883 -4.360
279 HE ARG 37 HE ARG 37 9.127 1.128 -5.578
280 HH11 ARG 37 1HH1 ARG 37 9.355 -2.380 -4.986
281 HH12 ARG 37 2HH1 ARG 37 10.266 -2.667 -6.389
282 HH21 ARG 37 1HH2 ARG 37 10.410 0.681 -7.463
283 HH22 ARG 37 2HH2 ARG 37 10.885 -0.922 -7.822
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -9.916 -0.580 7.057
2 H2 GLY 1 2HT GLY 1 -9.823 -1.899 5.986
3 H3 GLY 1 3HT GLY 1 -9.638 -0.340 5.408
4 HA2 GLY 1 1HA GLY 1 -7.612 -0.060 6.615
5 HA3 GLY 1 2HA GLY 1 -7.804 -1.694 7.249
6 H ILE 2 H ILE 2 -5.544 -1.533 6.064
7 HA ILE 2 HA ILE 2 -5.890 -2.071 3.257
8 HB ILE 2 HB ILE 2 -3.384 -2.062 3.210
9 HG12 ILE 2 2HG1 ILE 2 -3.768 -1.281 6.114
10 HG13 ILE 2 1HG1 ILE 2 -2.850 -2.636 5.476
11 HG21 ILE 2 1HG2 ILE 2 -3.219 0.365 3.403
12 HG22 ILE 2 2HG2 ILE 2 -4.735 0.394 4.298
13 HG23 ILE 2 3HG2 ILE 2 -4.724 -0.112 2.612
14 HD11 ILE 2 1HD1 ILE 2 -1.274 -1.029 4.475
15 HD12 ILE 2 2HD1 ILE 2 -1.354 -0.945 6.230
16 HD13 ILE 2 3HD1 ILE 2 -2.169 0.278 5.250
17 H THR 3 H THR 3 -5.497 -3.942 2.325
18 HA THR 3 HA THR 3 -4.843 -6.280 3.944
19 HB THR 3 HB THR 3 -7.261 -6.131 2.154
20 HG1 THR 3 1HG THR 3 -8.137 -5.046 3.702
21 HG21 THR 3 1HG2 THR 3 -6.393 -8.382 2.579
22 HG22 THR 3 2HG2 THR 3 -7.950 -8.172 3.381
23 HG23 THR 3 3HG2 THR 3 -6.459 -8.096 4.318
24 H CYS 4 H CYS 4 -4.074 -7.984 2.532
25 HA CYS 4 HA CYS 4 -3.498 -7.017 -0.157
26 HB2 CYS 4 2HB CYS 4 -2.038 -9.055 1.486
27 HB3 CYS 4 1HB CYS 4 -1.619 -8.540 -0.145
28 H ASP 5 H ASP 5 -4.585 -7.884 -1.660
29 HA ASP 5 HA ASP 5 -5.140 -10.775 -1.606
30 HB2 ASP 5 2HB ASP 5 -7.179 -9.413 -1.934
31 HB3 ASP 5 1HB ASP 5 -6.404 -8.576 -3.275
32 H LEU 6 H LEU 6 -3.867 -7.975 -3.242
33 HA LEU 6 HA LEU 6 -2.472 -9.652 -5.154
34 HB2 LEU 6 2HB LEU 6 -3.110 -6.706 -5.172
35 HB3 LEU 6 1HB LEU 6 -2.254 -7.571 -6.428
36 HG LEU 6 HG LEU 6 -5.144 -7.999 -5.668
37 HD11 LEU 6 1HD1 LEU 6 -4.729 -5.853 -6.747
38 HD12 LEU 6 2HD1 LEU 6 -5.645 -6.943 -7.782
39 HD13 LEU 6 3HD1 LEU 6 -3.925 -6.680 -8.079
40 HD21 LEU 6 1HD2 LEU 6 -3.513 -9.138 -7.928
41 HD22 LEU 6 2HD2 LEU 6 -5.245 -9.364 -7.689
42 HD23 LEU 6 3HD2 LEU 6 -4.100 -10.032 -6.526
43 H ILE 7 H ILE 7 -0.346 -9.022 -5.496
44 HA ILE 7 HA ILE 7 0.976 -7.714 -3.229
45 HB ILE 7 HB ILE 7 2.036 -9.928 -5.035
46 HG12 ILE 7 2HG1 ILE 7 1.248 -9.936 -2.113
47 HG13 ILE 7 1HG1 ILE 7 0.361 -10.689 -3.421
48 HG21 ILE 7 1HG2 ILE 7 4.010 -9.946 -3.569
49 HG22 ILE 7 2HG2 ILE 7 3.355 -8.577 -2.670
50 HG23 ILE 7 3HG2 ILE 7 3.820 -8.379 -4.359
51 HD11 ILE 7 1HD1 ILE 7 1.622 -12.316 -2.115
52 HD12 ILE 7 2HD1 ILE 7 3.122 -11.477 -2.527
53 HD13 ILE 7 3HD1 ILE 7 2.166 -12.255 -3.789
54 H GLY 8 H GLY 8 1.951 -5.896 -3.748
55 HA2 GLY 8 2HA GLY 8 2.995 -4.239 -5.025
56 HA3 GLY 8 1HA GLY 8 3.100 -5.399 -6.341
57 H ASN 9 H ASN 9 0.378 -5.971 -6.620
58 HA ASN 9 HA ASN 9 -0.452 -3.614 -8.162
59 HB2 ASN 9 2HB ASN 9 -1.527 -6.442 -8.122
60 HB3 ASN 9 1HB ASN 9 -2.125 -5.169 -9.174
61 HD21 ASN 9 1HD2 ASN 9 0.414 -7.433 -8.571
62 HD22 ASN 9 2HD2 ASN 9 1.262 -7.197 -10.043
63 H GLU 10 H GLU 10 -0.702 -4.216 -5.256
64 HA GLU 10 HA GLU 10 -3.527 -4.367 -4.787
65 HB2 GLU 10 2HB GLU 10 -1.907 -5.671 -3.509
66 HB3 GLU 10 1HB GLU 10 -1.189 -4.210 -2.879
67 HG2 GLU 10 2HG GLU 10 -2.657 -5.276 -1.318
68 HG3 GLU 10 1HG GLU 10 -3.249 -3.665 -1.796
69 H ARG 11 H ARG 11 -3.685 -2.338 -6.002
70 HA ARG 11 HA ARG 11 -2.766 0.144 -5.044
71 HB2 ARG 11 2HB ARG 11 -3.549 -0.264 -7.354
72 HB3 ARG 11 1HB ARG 11 -5.199 -0.351 -6.758
73 HG2 ARG 11 2HG ARG 11 -5.067 1.954 -5.998
74 HG3 ARG 11 1HG ARG 11 -3.396 2.051 -6.545
75 HD2 ARG 11 2HD ARG 11 -5.806 1.562 -8.288
76 HD3 ARG 11 1HD ARG 11 -4.936 3.082 -8.126
77 HE ARG 11 HE ARG 11 -3.284 0.881 -8.967
78 HH11 ARG 11 1HH1 ARG 11 -5.418 3.485 -10.061
79 HH12 ARG 11 2HH1 ARG 11 -4.767 3.525 -11.642
80 HH21 ARG 11 1HH2 ARG 11 -2.408 0.945 -11.186
81 HH22 ARG 11 2HH2 ARG 11 -3.063 2.064 -12.276
82 H LEU 12 H LEU 12 -5.492 -1.788 -4.166
83 HA LEU 12 HA LEU 12 -7.011 0.214 -2.856
84 HB2 LEU 12 2HB LEU 12 -6.864 -2.736 -2.245
85 HB3 LEU 12 1HB LEU 12 -8.113 -1.644 -1.693
86 HG LEU 12 HG LEU 12 -7.615 -2.538 -4.528
87 HD11 LEU 12 1HD1 LEU 12 -8.664 -4.220 -3.162
88 HD12 LEU 12 2HD1 LEU 12 -9.833 -3.549 -4.304
89 HD13 LEU 12 3HD1 LEU 12 -9.869 -3.058 -2.612
90 HD21 LEU 12 1HD2 LEU 12 -8.356 -0.207 -4.526
91 HD22 LEU 12 2HD2 LEU 12 -9.709 -0.629 -3.476
92 HD23 LEU 12 3HD2 LEU 12 -9.635 -1.270 -5.115
93 H CYS 13 H CYS 13 -4.143 -1.485 -2.048
94 HA CYS 13 HA CYS 13 -4.236 -0.646 0.705
95 HB2 CYS 13 2HB CYS 13 -3.225 -2.771 0.357
96 HB3 CYS 13 1HB CYS 13 -2.228 -2.148 -0.961
97 H VAL 14 H VAL 14 -2.554 0.086 -2.285
98 HA VAL 14 HA VAL 14 -0.616 1.904 -1.478
99 HB VAL 14 HB VAL 14 -2.193 2.007 -4.047
100 HG11 VAL 14 1HG1 VAL 14 -0.164 3.022 -5.025
101 HG12 VAL 14 2HG1 VAL 14 0.567 3.052 -3.419
102 HG13 VAL 14 3HG1 VAL 14 -0.871 4.015 -3.751
103 HG21 VAL 14 1HG2 VAL 14 -0.449 0.580 -5.007
104 HG22 VAL 14 2HG2 VAL 14 -1.245 -0.226 -3.647
105 HG23 VAL 14 3HG2 VAL 14 0.343 0.498 -3.437
106 H VAL 15 H VAL 15 -4.026 2.478 -2.170
107 HA VAL 15 HA VAL 15 -4.078 5.238 -2.222
108 HB VAL 15 HB VAL 15 -6.025 3.800 -2.766
109 HG11 VAL 15 1HG1 VAL 15 -6.340 3.505 0.196
110 HG12 VAL 15 2HG1 VAL 15 -5.961 2.232 -0.964
111 HG13 VAL 15 3HG1 VAL 15 -7.538 3.025 -1.007
112 HG21 VAL 15 1HG2 VAL 15 -6.625 5.944 -0.733
113 HG22 VAL 15 2HG2 VAL 15 -7.790 5.262 -1.866
114 HG23 VAL 15 3HG2 VAL 15 -6.406 6.174 -2.468
115 H HIS 16 H HIS 16 -3.810 3.158 0.589
116 HA HIS 16 HA HIS 16 -4.357 5.126 2.573
117 HB2 HIS 16 2HB HIS 16 -4.567 2.824 3.187
118 HB3 HIS 16 1HB HIS 16 -2.946 2.469 2.625
119 HD1 HIS 16 1HD HIS 16 -4.498 4.633 5.412
120 HD2 HIS 16 2HD HIS 16 -1.209 2.272 4.556
121 HE1 HIS 16 1HE HIS 16 -3.089 4.594 7.529
122 H CYS 17 H CYS 17 -1.435 3.945 1.087
123 HA CYS 17 HA CYS 17 0.363 5.502 2.649
124 HB2 CYS 17 2HB CYS 17 0.707 4.414 -0.144
125 HB3 CYS 17 1HB CYS 17 1.992 4.904 0.956
126 H LEU 18 H LEU 18 -1.291 6.044 -0.411
127 HA LEU 18 HA LEU 18 -0.094 8.557 -0.930
128 HB2 LEU 18 2HB LEU 18 -2.749 7.447 -1.847
129 HB3 LEU 18 1HB LEU 18 -1.971 8.868 -2.514
130 HG LEU 18 HG LEU 18 -0.861 6.060 -2.644
131 HD11 LEU 18 1HD1 LEU 18 -2.165 7.746 -4.771
132 HD12 LEU 18 2HD1 LEU 18 -2.844 6.297 -4.026
133 HD13 LEU 18 3HD1 LEU 18 -1.396 6.180 -5.026
134 HD21 LEU 18 1HD2 LEU 18 0.745 7.023 -4.234
135 HD22 LEU 18 2HD2 LEU 18 0.904 7.737 -2.632
136 HD23 LEU 18 3HD2 LEU 18 0.088 8.628 -3.918
137 H ALA 19 H ALA 19 -2.879 7.554 0.958
138 HA ALA 19 HA ALA 19 -3.925 10.146 1.428
139 HB1 ALA 19 1HB ALA 19 -4.189 7.657 3.124
140 HB2 ALA 19 2HB ALA 19 -5.244 8.089 1.781
141 HB3 ALA 19 3HB ALA 19 -5.205 9.096 3.231
142 H LYS 20 H LYS 20 -1.688 8.076 3.168
143 HA LYS 20 HA LYS 20 -1.216 9.809 5.362
144 HB2 LYS 20 2HB LYS 20 0.548 7.679 4.163
145 HB3 LYS 20 1HB LYS 20 0.869 8.477 5.700
146 HG2 LYS 20 2HG LYS 20 -1.154 7.530 6.632
147 HG3 LYS 20 1HG LYS 20 -1.575 6.827 5.070
148 HD2 LYS 20 2HD LYS 20 -0.634 5.088 6.411
149 HD3 LYS 20 1HD LYS 20 0.549 5.510 5.180
150 HE2 LYS 20 2HE LYS 20 1.683 5.202 7.272
151 HE3 LYS 20 1HE LYS 20 1.696 6.916 6.852
152 HZ1 LYS 20 1HZ LYS 20 -0.115 7.266 8.429
153 HZ2 LYS 20 2HZ LYS 20 1.221 6.582 9.175
154 HZ3 LYS 20 3HZ LYS 20 -0.109 5.626 8.824
155 H GLY 21 H GLY 21 0.071 9.685 2.148
156 HA2 GLY 21 2HA GLY 21 0.809 11.837 1.223
157 HA3 GLY 21 1HA GLY 21 1.588 12.154 2.769
158 H PHE 22 H PHE 22 1.755 9.005 1.556
159 HA PHE 22 HA PHE 22 4.600 9.182 1.269
160 HB2 PHE 22 2HB PHE 22 2.585 7.028 1.435
161 HB3 PHE 22 1HB PHE 22 4.076 6.574 0.646
162 HD1 PHE 22 1HD PHE 22 6.060 6.488 1.779
163 HD2 PHE 22 2HD PHE 22 2.527 7.658 3.768
164 HE1 PHE 22 1HE PHE 22 7.163 6.128 3.821
165 HE2 PHE 22 2HE PHE 22 3.633 7.307 5.945
166 HZ PHE 22 HZ PHE 22 5.975 6.537 6.005
167 H ARG 23 H ARG 23 5.717 8.433 -0.560
168 HA ARG 23 HA ARG 23 4.904 9.352 -3.055
169 HB2 ARG 23 2HB ARG 23 6.847 7.144 -2.368
170 HB3 ARG 23 1HB ARG 23 6.723 7.907 -3.940
171 HG2 ARG 23 2HG ARG 23 7.451 10.011 -3.020
172 HG3 ARG 23 1HG ARG 23 7.470 9.330 -1.393
173 HD2 ARG 23 2HD ARG 23 9.713 9.377 -2.288
174 HD3 ARG 23 1HD ARG 23 9.165 7.709 -2.124
175 HE ARG 23 HE ARG 23 8.897 9.055 -4.690
176 HH11 ARG 23 1HH1 ARG 23 10.364 6.474 -2.778
177 HH12 ARG 23 2HH1 ARG 23 11.203 5.771 -4.080
178 HH21 ARG 23 1HH2 ARG 23 10.056 8.112 -6.482
179 HH22 ARG 23 2HH2 ARG 23 11.021 6.725 -6.270
180 H GLY 24 H GLY 24 4.386 6.362 -1.366
181 HA2 GLY 24 2HA GLY 24 2.103 5.628 -2.593
182 HA3 GLY 24 1HA GLY 24 3.385 4.981 -3.618
183 H GLY 25 H GLY 25 2.345 2.936 -2.906
184 HA2 GLY 25 2HA GLY 25 3.750 1.918 -0.640
185 HA3 GLY 25 1HA GLY 25 2.001 1.982 -0.451
186 H TRP 26 H TRP 26 3.079 -0.426 -0.345
187 HA TRP 26 HA TRP 26 1.914 -1.710 -2.604
188 HB2 TRP 26 2HB TRP 26 3.868 -2.815 -3.472
189 HB3 TRP 26 1HB TRP 26 4.236 -1.099 -3.445
190 HD1 TRP 26 HD TRP 26 5.619 -4.358 -2.455
191 HE1 TRP 26 1HE TRP 26 7.679 -4.081 -0.930
192 HE3 TRP 26 3HE TRP 26 5.123 0.571 -1.288
193 HZ2 TRP 26 2HZ TRP 26 8.902 -2.082 0.575
194 HZ3 TRP 26 3HZ TRP 26 6.742 1.618 0.227
195 HH2 TRP 26 HH TRP 26 8.628 0.305 1.146
196 H CYS 27 H CYS 27 1.905 -4.005 -2.243
197 HA CYS 27 HA CYS 27 2.335 -4.703 0.561
198 HB2 CYS 27 2HB CYS 27 0.032 -5.065 -0.279
199 HB3 CYS 27 1HB CYS 27 0.676 -6.086 -1.565
200 H ASP 28 H ASP 28 3.826 -6.244 0.996
201 HA ASP 28 HA ASP 28 5.375 -7.124 -1.328
202 HB2 ASP 28 2HB ASP 28 7.313 -7.362 0.087
203 HB3 ASP 28 1HB ASP 28 6.526 -5.889 0.576
204 H SER 29 H SER 29 6.587 -9.358 -0.648
205 HA SER 29 HA SER 29 4.671 -11.301 -1.133
206 HB2 SER 29 2HB SER 29 7.514 -11.642 -0.188
207 HB3 SER 29 1HB SER 29 6.518 -12.895 -0.936
208 HG SER 29 HG SER 29 6.443 -11.733 -2.795
209 H ARG 30 H ARG 30 5.645 -10.052 1.945
210 HA ARG 30 HA ARG 30 4.901 -12.395 3.478
211 HB2 ARG 30 2HB ARG 30 5.259 -9.526 4.331
212 HB3 ARG 30 1HB ARG 30 5.039 -10.883 5.416
213 HG2 ARG 30 2HG ARG 30 7.177 -11.769 4.824
214 HG3 ARG 30 1HG ARG 30 7.347 -10.577 3.526
215 HD2 ARG 30 2HD ARG 30 7.176 -9.972 6.478
216 HD3 ARG 30 1HD ARG 30 8.628 -9.872 5.474
217 HE ARG 30 HE ARG 30 6.838 -8.300 4.191
218 HH11 ARG 30 1HH1 ARG 30 8.191 -8.244 7.477
219 HH12 ARG 30 2HH1 ARG 30 7.949 -6.579 7.702
220 HH21 ARG 30 1HH2 ARG 30 6.472 -6.091 4.498
221 HH22 ARG 30 2HH2 ARG 30 6.916 -5.269 5.934
222 H LYS 31 H LYS 31 3.111 -10.242 1.707
223 HA LYS 31 HA LYS 31 0.929 -9.655 1.569
224 HB2 LYS 31 2HB LYS 31 0.583 -11.605 3.866
225 HB3 LYS 31 1HB LYS 31 -0.761 -10.767 3.111
226 HG2 LYS 31 2HG LYS 31 1.105 -12.685 1.729
227 HG3 LYS 31 1HG LYS 31 -0.487 -13.099 2.363
228 HD2 LYS 31 2HD LYS 31 -1.405 -11.273 0.857
229 HD3 LYS 31 1HD LYS 31 0.190 -11.228 0.100
230 HE2 LYS 31 2HE LYS 31 -1.312 -12.665 -1.164
231 HE3 LYS 31 1HE LYS 31 -0.012 -13.615 -0.441
232 HZ1 LYS 31 1HZ LYS 31 -1.524 -14.318 1.303
233 HZ2 LYS 31 2HZ LYS 31 -2.226 -14.654 -0.188
234 HZ3 LYS 31 3HZ LYS 31 -2.734 -13.329 0.704
235 H VAL 32 H VAL 32 2.860 -8.272 3.078
236 HA VAL 32 HA VAL 32 1.215 -6.883 5.090
237 HB VAL 32 HB VAL 32 4.229 -6.842 4.808
238 HG11 VAL 32 1HG1 VAL 32 2.463 -5.779 7.007
239 HG12 VAL 32 2HG1 VAL 32 3.349 -4.826 5.820
240 HG13 VAL 32 3HG1 VAL 32 4.227 -5.777 7.018
241 HG21 VAL 32 1HG2 VAL 32 4.328 -8.223 6.839
242 HG22 VAL 32 2HG2 VAL 32 3.489 -9.067 5.532
243 HG23 VAL 32 3HG2 VAL 32 2.568 -8.333 6.843
244 H CYS 33 H CYS 33 0.826 -4.834 4.782
245 HA CYS 33 HA CYS 33 1.598 -3.669 2.288
246 HB2 CYS 33 2HB CYS 33 -0.421 -2.976 4.408
247 HB3 CYS 33 1HB CYS 33 0.211 -1.730 3.320
248 H ASN 34 H ASN 34 3.066 -2.174 1.977
249 HA ASN 34 HA ASN 34 4.408 -0.916 4.297
250 HB2 ASN 34 2HB ASN 34 5.738 -1.696 1.696
251 HB3 ASN 34 1HB ASN 34 6.511 -1.111 3.156
252 HD21 ASN 34 1HD2 ASN 34 5.154 -3.792 1.525
253 HD22 ASN 34 2HD2 ASN 34 5.669 -5.020 2.621
254 H CYS 35 H CYS 35 4.922 1.291 3.955
255 HA CYS 35 HA CYS 35 4.031 2.437 1.383
256 HB2 CYS 35 2HB CYS 35 4.012 3.737 4.119
257 HB3 CYS 35 1HB CYS 35 3.526 4.514 2.622
258 H ARG 36 H ARG 36 5.522 3.512 0.194
259 HA ARG 36 HA ARG 36 7.492 5.221 1.052
260 HB2 ARG 36 2HB ARG 36 8.464 3.142 2.130
261 HB3 ARG 36 1HB ARG 36 8.725 2.527 0.504
262 HG2 ARG 36 2HG ARG 36 10.125 4.495 0.027
263 HG3 ARG 36 1HG ARG 36 9.939 5.001 1.707
264 HD2 ARG 36 2HD ARG 36 11.203 2.456 0.707
265 HD3 ARG 36 1HD ARG 36 12.035 3.833 1.420
266 HE ARG 36 HE ARG 36 10.236 3.021 3.320
267 HH11 ARG 36 1HH1 ARG 36 12.952 1.613 1.588
268 HH12 ARG 36 2HH1 ARG 36 13.373 0.505 2.807
269 HH21 ARG 36 1HH2 ARG 36 10.759 1.439 5.005
270 HH22 ARG 36 2HH2 ARG 36 12.082 0.386 4.798
271 H ARG 37 H ARG 37 6.813 2.594 -1.230
272 HA ARG 37 HA ARG 37 8.333 3.921 -3.310
273 HB2 ARG 37 2HB ARG 37 6.994 1.215 -3.274
274 HB3 ARG 37 1HB ARG 37 8.032 1.830 -4.552
275 HG2 ARG 37 2HG ARG 37 9.847 1.968 -2.799
276 HG3 ARG 37 1HG ARG 37 8.728 1.087 -1.753
277 HD2 ARG 37 2HD ARG 37 10.298 -0.440 -2.887
278 HD3 ARG 37 1HD ARG 37 8.621 -0.748 -3.344
279 HE ARG 37 HE ARG 37 9.837 1.078 -5.119
280 HH11 ARG 37 1HH1 ARG 37 9.827 -2.400 -4.382
281 HH12 ARG 37 2HH1 ARG 37 10.175 -2.866 -5.976
282 HH21 ARG 37 1HH2 ARG 37 10.303 0.392 -7.315
283 HH22 ARG 37 2HH2 ARG 37 10.428 -1.271 -7.666
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -8.647 0.273 5.546
2 H2 GLY 1 2HT GLY 1 -9.527 -0.172 6.920
3 H3 GLY 1 3HT GLY 1 -9.476 -1.182 5.565
4 HA2 GLY 1 1HA GLY 1 -7.123 -0.546 7.199
5 HA3 GLY 1 2HA GLY 1 -8.083 -2.017 7.315
6 H ILE 2 H ILE 2 -5.294 -0.955 6.150
7 HA ILE 2 HA ILE 2 -5.361 -1.798 3.503
8 HB ILE 2 HB ILE 2 -2.831 -1.982 3.771
9 HG12 ILE 2 2HG1 ILE 2 -3.558 -0.848 6.482
10 HG13 ILE 2 1HG1 ILE 2 -2.667 -2.324 6.150
11 HG21 ILE 2 1HG2 ILE 2 -4.242 0.604 4.345
12 HG22 ILE 2 2HG2 ILE 2 -3.940 -0.104 2.760
13 HG23 ILE 2 3HG2 ILE 2 -2.589 0.449 3.751
14 HD11 ILE 2 1HD1 ILE 2 -0.817 -1.004 5.265
15 HD12 ILE 2 2HD1 ILE 2 -1.212 -0.517 6.917
16 HD13 ILE 2 3HD1 ILE 2 -1.749 0.462 5.543
17 H THR 3 H THR 3 -5.453 -3.598 2.606
18 HA THR 3 HA THR 3 -4.851 -6.065 4.069
19 HB THR 3 HB THR 3 -7.167 -5.582 2.186
20 HG1 THR 3 1HG THR 3 -7.242 -4.399 4.256
21 HG21 THR 3 1HG2 THR 3 -6.466 -7.921 2.389
22 HG22 THR 3 2HG2 THR 3 -8.045 -7.685 3.143
23 HG23 THR 3 3HG2 THR 3 -6.600 -7.823 4.145
24 H CYS 4 H CYS 4 -3.876 -7.620 2.663
25 HA CYS 4 HA CYS 4 -3.370 -6.596 -0.019
26 HB2 CYS 4 2HB CYS 4 -1.581 -8.289 1.689
27 HB3 CYS 4 1HB CYS 4 -1.252 -7.797 0.030
28 H ASP 5 H ASP 5 -4.706 -7.589 -1.258
29 HA ASP 5 HA ASP 5 -5.021 -10.472 -1.073
30 HB2 ASP 5 2HB ASP 5 -7.072 -9.239 -1.424
31 HB3 ASP 5 1HB ASP 5 -6.332 -8.305 -2.714
32 H LEU 6 H LEU 6 -3.768 -7.840 -2.992
33 HA LEU 6 HA LEU 6 -2.349 -9.711 -4.705
34 HB2 LEU 6 2HB LEU 6 -3.086 -6.810 -5.084
35 HB3 LEU 6 1HB LEU 6 -2.125 -7.745 -6.205
36 HG LEU 6 HG LEU 6 -5.022 -8.246 -5.519
37 HD11 LEU 6 1HD1 LEU 6 -3.754 -7.125 -8.014
38 HD12 LEU 6 2HD1 LEU 6 -4.695 -6.217 -6.831
39 HD13 LEU 6 3HD1 LEU 6 -5.468 -7.477 -7.792
40 HD21 LEU 6 1HD2 LEU 6 -4.942 -9.838 -7.401
41 HD22 LEU 6 2HD2 LEU 6 -3.898 -10.317 -6.069
42 HD23 LEU 6 3HD2 LEU 6 -3.201 -9.586 -7.516
43 H ILE 7 H ILE 7 -0.229 -9.083 -5.160
44 HA ILE 7 HA ILE 7 1.136 -7.624 -3.026
45 HB ILE 7 HB ILE 7 2.106 -9.777 -4.921
46 HG12 ILE 7 2HG1 ILE 7 1.850 -9.661 -1.925
47 HG13 ILE 7 1HG1 ILE 7 0.789 -10.528 -3.001
48 HG21 ILE 7 1HG2 ILE 7 4.305 -9.633 -3.819
49 HG22 ILE 7 2HG2 ILE 7 3.749 -8.222 -2.916
50 HG23 ILE 7 3HG2 ILE 7 3.899 -8.141 -4.669
51 HD11 ILE 7 1HD1 ILE 7 3.714 -11.133 -2.700
52 HD12 ILE 7 2HD1 ILE 7 2.527 -12.078 -3.598
53 HD13 ILE 7 3HD1 ILE 7 2.431 -11.978 -1.841
54 H GLY 8 H GLY 8 1.804 -5.697 -3.544
55 HA2 GLY 8 2HA GLY 8 2.818 -3.971 -4.734
56 HA3 GLY 8 1HA GLY 8 3.084 -5.103 -6.050
57 H ASN 9 H ASN 9 0.408 -5.817 -6.453
58 HA ASN 9 HA ASN 9 -0.460 -3.571 -8.132
59 HB2 ASN 9 2HB ASN 9 -1.507 -6.404 -7.925
60 HB3 ASN 9 1HB ASN 9 -2.040 -5.219 -9.105
61 HD21 ASN 9 1HD2 ASN 9 0.437 -7.463 -8.209
62 HD22 ASN 9 2HD2 ASN 9 1.344 -7.362 -9.650
63 H GLU 10 H GLU 10 -0.820 -4.195 -5.163
64 HA GLU 10 HA GLU 10 -3.642 -4.359 -4.848
65 HB2 GLU 10 2HB GLU 10 -2.160 -5.620 -3.441
66 HB3 GLU 10 1HB GLU 10 -1.382 -4.170 -2.860
67 HG2 GLU 10 2HG GLU 10 -2.899 -5.056 -1.276
68 HG3 GLU 10 1HG GLU 10 -3.447 -3.474 -1.875
69 H ARG 11 H ARG 11 -3.958 -2.512 -5.985
70 HA ARG 11 HA ARG 11 -3.209 0.114 -5.460
71 HB2 ARG 11 2HB ARG 11 -4.314 -0.602 -7.499
72 HB3 ARG 11 1HB ARG 11 -5.784 -0.924 -6.598
73 HG2 ARG 11 2HG ARG 11 -6.087 1.420 -6.161
74 HG3 ARG 11 1HG ARG 11 -4.540 1.792 -6.928
75 HD2 ARG 11 2HD ARG 11 -6.887 0.489 -8.280
76 HD3 ARG 11 1HD ARG 11 -6.451 2.189 -8.435
77 HE ARG 11 HE ARG 11 -4.189 1.024 -9.177
78 HH11 ARG 11 1HH1 ARG 11 -7.515 0.326 -10.194
79 HH12 ARG 11 2HH1 ARG 11 -7.061 -0.291 -11.714
80 HH21 ARG 11 1HH2 ARG 11 -3.598 0.178 -11.275
81 HH22 ARG 11 2HH2 ARG 11 -4.786 -0.409 -12.325
82 H LEU 12 H LEU 12 -5.755 -1.793 -3.980
83 HA LEU 12 HA LEU 12 -7.023 0.333 -2.603
84 HB2 LEU 12 2HB LEU 12 -6.910 -2.605 -1.958
85 HB3 LEU 12 1HB LEU 12 -7.936 -1.462 -1.117
86 HG LEU 12 HG LEU 12 -8.130 -2.202 -4.039
87 HD11 LEU 12 1HD1 LEU 12 -9.923 -2.854 -1.709
88 HD12 LEU 12 2HD1 LEU 12 -8.869 -3.980 -2.561
89 HD13 LEU 12 3HD1 LEU 12 -10.237 -3.251 -3.398
90 HD21 LEU 12 1HD2 LEU 12 -10.201 -0.885 -4.005
91 HD22 LEU 12 2HD2 LEU 12 -8.788 0.110 -3.684
92 HD23 LEU 12 3HD2 LEU 12 -9.843 -0.377 -2.356
93 H CYS 13 H CYS 13 -4.103 -1.350 -2.045
94 HA CYS 13 HA CYS 13 -3.904 -0.396 0.668
95 HB2 CYS 13 2HB CYS 13 -2.978 -2.578 0.195
96 HB3 CYS 13 1HB CYS 13 -1.987 -1.921 -1.106
97 H VAL 14 H VAL 14 -2.406 0.131 -2.493
98 HA VAL 14 HA VAL 14 -0.450 2.001 -1.872
99 HB VAL 14 HB VAL 14 -2.120 2.120 -4.375
100 HG11 VAL 14 1HG1 VAL 14 -0.028 2.901 -5.425
101 HG12 VAL 14 2HG1 VAL 14 0.749 2.862 -3.843
102 HG13 VAL 14 3HG1 VAL 14 -0.594 3.966 -4.137
103 HG21 VAL 14 1HG2 VAL 14 -0.598 0.515 -5.397
104 HG22 VAL 14 2HG2 VAL 14 -1.420 -0.205 -4.015
105 HG23 VAL 14 3HG2 VAL 14 0.257 0.326 -3.868
106 H VAL 15 H VAL 15 -3.854 2.544 -2.663
107 HA VAL 15 HA VAL 15 -3.820 5.322 -2.765
108 HB VAL 15 HB VAL 15 -5.702 3.927 -3.569
109 HG11 VAL 15 1HG1 VAL 15 -6.416 3.601 -0.680
110 HG12 VAL 15 2HG1 VAL 15 -5.876 2.340 -1.787
111 HG13 VAL 15 3HG1 VAL 15 -7.431 3.138 -2.048
112 HG21 VAL 15 1HG2 VAL 15 -6.073 6.310 -3.277
113 HG22 VAL 15 2HG2 VAL 15 -6.530 6.050 -1.595
114 HG23 VAL 15 3HG2 VAL 15 -7.541 5.411 -2.890
115 H HIS 16 H HIS 16 -3.879 3.207 0.007
116 HA HIS 16 HA HIS 16 -4.723 5.206 1.870
117 HB2 HIS 16 2HB HIS 16 -5.101 2.805 2.359
118 HB3 HIS 16 1HB HIS 16 -3.369 2.537 2.314
119 HD1 HIS 16 1HD HIS 16 -5.970 4.304 4.416
120 HD2 HIS 16 2HD HIS 16 -2.060 2.942 4.618
121 HE1 HIS 16 1HE HIS 16 -5.235 4.598 6.834
122 H CYS 17 H CYS 17 -1.663 3.826 0.849
123 HA CYS 17 HA CYS 17 0.001 5.307 2.609
124 HB2 CYS 17 2HB CYS 17 0.627 4.291 -0.169
125 HB3 CYS 17 1HB CYS 17 1.785 4.743 1.078
126 H LEU 18 H LEU 18 -1.278 5.975 -0.616
127 HA LEU 18 HA LEU 18 0.030 8.456 -0.963
128 HB2 LEU 18 2HB LEU 18 -2.592 7.502 -2.121
129 HB3 LEU 18 1HB LEU 18 -1.672 8.875 -2.693
130 HG LEU 18 HG LEU 18 -0.787 5.991 -2.818
131 HD11 LEU 18 1HD1 LEU 18 -1.086 6.237 -5.226
132 HD12 LEU 18 2HD1 LEU 18 -1.707 7.868 -4.985
133 HD13 LEU 18 3HD1 LEU 18 -2.602 6.484 -4.360
134 HD21 LEU 18 1HD2 LEU 18 1.051 6.841 -4.198
135 HD22 LEU 18 2HD2 LEU 18 1.110 7.497 -2.563
136 HD23 LEU 18 3HD2 LEU 18 0.512 8.493 -3.893
137 H ALA 19 H ALA 19 -2.962 7.524 0.622
138 HA ALA 19 HA ALA 19 -3.977 10.133 1.052
139 HB1 ALA 19 1HB ALA 19 -4.462 7.629 2.672
140 HB2 ALA 19 2HB ALA 19 -5.371 8.106 1.239
141 HB3 ALA 19 3HB ALA 19 -5.448 9.092 2.703
142 H LYS 20 H LYS 20 -2.021 7.960 3.042
143 HA LYS 20 HA LYS 20 -1.774 9.785 5.186
144 HB2 LYS 20 2HB LYS 20 -0.197 7.324 4.480
145 HB3 LYS 20 1HB LYS 20 0.263 8.342 5.836
146 HG2 LYS 20 2HG LYS 20 -2.021 7.975 6.799
147 HG3 LYS 20 1HG LYS 20 -2.330 6.852 5.479
148 HD2 LYS 20 2HD LYS 20 -0.694 5.353 6.216
149 HD3 LYS 20 1HD LYS 20 0.035 6.535 7.315
150 HE2 LYS 20 2HE LYS 20 -2.721 5.324 7.585
151 HE3 LYS 20 1HE LYS 20 -1.292 4.792 8.464
152 HZ1 LYS 20 1HZ LYS 20 -1.173 6.964 9.511
153 HZ2 LYS 20 2HZ LYS 20 -2.668 6.264 9.805
154 HZ3 LYS 20 3HZ LYS 20 -2.534 7.498 8.683
155 H GLY 21 H GLY 21 -0.090 9.513 2.210
156 HA2 GLY 21 2HA GLY 21 0.815 11.714 1.501
157 HA3 GLY 21 1HA GLY 21 1.515 11.835 3.109
158 H PHE 22 H PHE 22 1.647 8.743 1.962
159 HA PHE 22 HA PHE 22 4.477 8.847 1.652
160 HB2 PHE 22 2HB PHE 22 2.402 6.743 1.708
161 HB3 PHE 22 1HB PHE 22 3.920 6.281 0.963
162 HD1 PHE 22 1HD PHE 22 2.207 7.075 4.058
163 HD2 PHE 22 2HD PHE 22 5.928 6.387 2.166
164 HE1 PHE 22 1HE PHE 22 3.247 6.671 6.248
165 HE2 PHE 22 2HE PHE 22 6.972 5.987 4.206
166 HZ PHE 22 HZ PHE 22 5.662 6.116 6.369
167 H ARG 23 H ARG 23 5.633 8.168 -0.166
168 HA ARG 23 HA ARG 23 4.679 9.264 -2.593
169 HB2 ARG 23 2HB ARG 23 7.109 7.562 -2.005
170 HB3 ARG 23 1HB ARG 23 6.800 8.362 -3.539
171 HG2 ARG 23 2HG ARG 23 7.102 9.788 -0.901
172 HG3 ARG 23 1HG ARG 23 8.383 9.600 -2.102
173 HD2 ARG 23 2HD ARG 23 5.735 10.987 -2.557
174 HD3 ARG 23 1HD ARG 23 7.266 11.794 -2.249
175 HE ARG 23 HE ARG 23 7.944 10.350 -4.305
176 HH11 ARG 23 1HH1 ARG 23 5.059 12.349 -3.870
177 HH12 ARG 23 2HH1 ARG 23 4.830 12.625 -5.536
178 HH21 ARG 23 1HH2 ARG 23 7.608 10.722 -6.578
179 HH22 ARG 23 2HH2 ARG 23 6.291 11.659 -7.102
180 H GLY 24 H GLY 24 4.274 6.272 -1.090
181 HA2 GLY 24 2HA GLY 24 2.339 5.377 -2.763
182 HA3 GLY 24 1HA GLY 24 3.833 4.758 -3.468
183 H GLY 25 H GLY 25 2.540 2.743 -2.833
184 HA2 GLY 25 2HA GLY 25 3.746 1.729 -0.474
185 HA3 GLY 25 1HA GLY 25 1.990 1.892 -0.338
186 H TRP 26 H TRP 26 3.481 -0.520 -0.283
187 HA TRP 26 HA TRP 26 2.302 -1.832 -2.584
188 HB2 TRP 26 2HB TRP 26 4.326 -2.910 -3.276
189 HB3 TRP 26 1HB TRP 26 4.675 -1.188 -3.194
190 HD1 TRP 26 HD TRP 26 5.908 -4.491 -1.965
191 HE1 TRP 26 1HE TRP 26 7.839 -4.176 -0.266
192 HE3 TRP 26 3HE TRP 26 5.488 0.505 -1.164
193 HZ2 TRP 26 2HZ TRP 26 8.993 -2.116 1.204
194 HZ3 TRP 26 3HZ TRP 26 7.017 1.598 0.411
195 HH2 TRP 26 HH TRP 26 8.758 0.301 1.581
196 H CYS 27 H CYS 27 1.854 -3.928 -2.131
197 HA CYS 27 HA CYS 27 2.336 -4.833 0.568
198 HB2 CYS 27 2HB CYS 27 0.865 -6.081 -1.751
199 HB3 CYS 27 1HB CYS 27 1.027 -6.836 -0.163
200 H ASP 28 H ASP 28 3.911 -6.167 1.059
201 HA ASP 28 HA ASP 28 5.713 -6.888 -1.095
202 HB2 ASP 28 2HB ASP 28 7.390 -7.354 0.561
203 HB3 ASP 28 1HB ASP 28 6.562 -5.908 1.084
204 H SER 29 H SER 29 6.847 -9.176 -0.416
205 HA SER 29 HA SER 29 5.173 -11.083 -1.488
206 HB2 SER 29 2HB SER 29 7.663 -11.117 -1.497
207 HB3 SER 29 1HB SER 29 7.623 -11.616 0.191
208 HG SER 29 HG SER 29 6.579 -12.975 -2.049
209 H ARG 30 H ARG 30 5.542 -10.201 1.877
210 HA ARG 30 HA ARG 30 4.343 -12.645 2.898
211 HB2 ARG 30 2HB ARG 30 5.020 -10.045 4.249
212 HB3 ARG 30 1HB ARG 30 4.526 -11.517 5.064
213 HG2 ARG 30 2HG ARG 30 6.544 -12.599 4.538
214 HG3 ARG 30 1HG ARG 30 6.970 -11.379 3.329
215 HD2 ARG 30 2HD ARG 30 6.749 -10.932 6.301
216 HD3 ARG 30 1HD ARG 30 8.247 -11.026 5.359
217 HE ARG 30 HE ARG 30 6.688 -9.101 4.158
218 HH11 ARG 30 1HH1 ARG 30 8.335 -9.438 7.274
219 HH12 ARG 30 2HH1 ARG 30 8.431 -7.762 7.554
220 HH21 ARG 30 1HH2 ARG 30 6.721 -6.887 4.563
221 HH22 ARG 30 2HH2 ARG 30 7.459 -6.243 5.967
222 H LYS 31 H LYS 31 3.010 -10.242 1.213
223 HA LYS 31 HA LYS 31 0.933 -9.364 0.929
224 HB2 LYS 31 2HB LYS 31 0.113 -11.367 3.064
225 HB3 LYS 31 1HB LYS 31 -1.015 -10.414 2.130
226 HG2 LYS 31 2HG LYS 31 0.891 -12.414 0.917
227 HG3 LYS 31 1HG LYS 31 -0.749 -12.806 1.413
228 HD2 LYS 31 2HD LYS 31 -1.589 -11.080 -0.180
229 HD3 LYS 31 1HD LYS 31 0.074 -10.816 -0.716
230 HE2 LYS 31 2HE LYS 31 0.236 -13.148 -1.424
231 HE3 LYS 31 1HE LYS 31 -1.395 -13.456 -0.845
232 HZ1 LYS 31 1HZ LYS 31 -2.245 -11.934 -2.573
233 HZ2 LYS 31 2HZ LYS 31 -1.296 -13.150 -3.244
234 HZ3 LYS 31 3HZ LYS 31 -0.666 -11.636 -3.098
235 H VAL 32 H VAL 32 2.799 -8.183 2.703
236 HA VAL 32 HA VAL 32 1.077 -6.887 4.730
237 HB VAL 32 HB VAL 32 4.110 -6.935 4.544
238 HG11 VAL 32 1HG1 VAL 32 2.315 -5.922 6.747
239 HG12 VAL 32 2HG1 VAL 32 3.270 -4.932 5.647
240 HG13 VAL 32 3HG1 VAL 32 4.076 -5.990 6.806
241 HG21 VAL 32 1HG2 VAL 32 3.231 -9.142 5.106
242 HG22 VAL 32 2HG2 VAL 32 2.330 -8.432 6.450
243 HG23 VAL 32 3HG2 VAL 32 4.094 -8.413 6.460
244 H CYS 33 H CYS 33 0.615 -4.838 4.514
245 HA CYS 33 HA CYS 33 1.423 -3.404 2.186
246 HB2 CYS 33 2HB CYS 33 -0.349 -2.850 4.528
247 HB3 CYS 33 1HB CYS 33 0.224 -1.531 3.516
248 H ASN 34 H ASN 34 3.136 -2.151 2.010
249 HA ASN 34 HA ASN 34 4.237 -0.913 4.425
250 HB2 ASN 34 2HB ASN 34 5.896 -1.885 2.073
251 HB3 ASN 34 1HB ASN 34 6.489 -1.225 3.587
252 HD21 ASN 34 1HD2 ASN 34 5.284 -3.966 1.949
253 HD22 ASN 34 2HD2 ASN 34 5.584 -5.148 3.167
254 H CYS 35 H CYS 35 4.723 1.250 4.069
255 HA CYS 35 HA CYS 35 4.016 2.229 1.384
256 HB2 CYS 35 2HB CYS 35 3.779 3.675 4.024
257 HB3 CYS 35 1HB CYS 35 3.271 4.292 2.463
258 H ARG 36 H ARG 36 5.438 3.367 0.250
259 HA ARG 36 HA ARG 36 7.245 5.248 0.903
260 HB2 ARG 36 2HB ARG 36 8.432 3.560 2.313
261 HB3 ARG 36 1HB ARG 36 8.655 2.564 0.885
262 HG2 ARG 36 2HG ARG 36 10.049 4.295 -0.108
263 HG3 ARG 36 1HG ARG 36 9.828 5.296 1.332
264 HD2 ARG 36 2HD ARG 36 10.876 3.582 2.706
265 HD3 ARG 36 1HD ARG 36 11.064 2.540 1.296
266 HE ARG 36 HE ARG 36 12.259 5.103 0.996
267 HH11 ARG 36 1HH1 ARG 36 12.822 1.865 2.383
268 HH12 ARG 36 2HH1 ARG 36 14.506 1.925 2.236
269 HH21 ARG 36 1HH2 ARG 36 14.638 5.191 0.833
270 HH22 ARG 36 2HH2 ARG 36 15.557 3.855 1.338
271 H ARG 37 H ARG 37 6.468 2.448 -1.077
272 HA ARG 37 HA ARG 37 7.713 3.724 -3.400
273 HB2 ARG 37 2HB ARG 37 7.538 0.766 -2.897
274 HB3 ARG 37 1HB ARG 37 8.376 1.568 -4.217
275 HG2 ARG 37 2HG ARG 37 9.938 2.532 -2.556
276 HG3 ARG 37 1HG ARG 37 9.091 1.610 -1.311
277 HD2 ARG 37 2HD ARG 37 10.561 0.469 -3.689
278 HD3 ARG 37 1HD ARG 37 11.063 0.440 -1.994
279 HE ARG 37 HE ARG 37 8.723 -0.795 -1.874
280 HH11 ARG 37 1HH1 ARG 37 11.435 -1.274 -4.112
281 HH12 ARG 37 2HH1 ARG 37 11.201 -2.948 -4.240
282 HH21 ARG 37 1HH2 ARG 37 8.416 -3.140 -2.096
283 HH22 ARG 37 2HH2 ARG 37 9.485 -4.007 -3.107
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -8.112 0.926 5.405
2 H2 GLY 1 2HT GLY 1 -6.800 0.752 6.442
3 H3 GLY 1 3HT GLY 1 -8.352 0.888 7.081
4 HA2 GLY 1 1HA GLY 1 -7.621 -1.395 7.173
5 HA3 GLY 1 2HA GLY 1 -8.961 -1.213 6.053
6 H ILE 2 H ILE 2 -5.483 -1.624 6.337
7 HA ILE 2 HA ILE 2 -5.308 -2.030 3.497
8 HB ILE 2 HB ILE 2 -2.838 -2.202 3.955
9 HG12 ILE 2 2HG1 ILE 2 -3.721 -1.305 6.717
10 HG13 ILE 2 1HG1 ILE 2 -2.832 -2.763 6.314
11 HG21 ILE 2 1HG2 ILE 2 -4.259 0.346 4.675
12 HG22 ILE 2 2HG2 ILE 2 -3.844 -0.212 3.056
13 HG23 ILE 2 3HG2 ILE 2 -2.568 0.222 4.191
14 HD11 ILE 2 1HD1 ILE 2 -0.931 -1.372 5.624
15 HD12 ILE 2 2HD1 ILE 2 -1.380 -1.127 7.310
16 HD13 ILE 2 3HD1 ILE 2 -1.846 0.063 6.087
17 H THR 3 H THR 3 -5.388 -3.882 2.624
18 HA THR 3 HA THR 3 -4.691 -6.333 4.048
19 HB THR 3 HB THR 3 -7.196 -5.891 2.424
20 HG1 THR 3 1HG THR 3 -7.034 -6.254 5.248
21 HG21 THR 3 1HG2 THR 3 -6.400 -8.213 2.438
22 HG22 THR 3 2HG2 THR 3 -7.899 -8.080 3.359
23 HG23 THR 3 3HG2 THR 3 -6.354 -8.200 4.201
24 H CYS 4 H CYS 4 -3.819 -7.824 2.526
25 HA CYS 4 HA CYS 4 -3.595 -6.722 -0.165
26 HB2 CYS 4 2HB CYS 4 -1.606 -8.418 1.302
27 HB3 CYS 4 1HB CYS 4 -1.428 -7.780 -0.331
28 H ASP 5 H ASP 5 -4.923 -7.729 -1.413
29 HA ASP 5 HA ASP 5 -5.184 -10.631 -1.259
30 HB2 ASP 5 2HB ASP 5 -7.191 -9.125 -1.618
31 HB3 ASP 5 1HB ASP 5 -6.476 -8.656 -3.155
32 H LEU 6 H LEU 6 -3.948 -7.971 -3.125
33 HA LEU 6 HA LEU 6 -2.551 -9.819 -4.896
34 HB2 LEU 6 2HB LEU 6 -3.140 -6.866 -5.254
35 HB3 LEU 6 1HB LEU 6 -2.251 -7.848 -6.392
36 HG LEU 6 HG LEU 6 -5.163 -8.180 -5.686
37 HD11 LEU 6 1HD1 LEU 6 -3.815 -7.135 -8.164
38 HD12 LEU 6 2HD1 LEU 6 -4.717 -6.180 -6.987
39 HD13 LEU 6 3HD1 LEU 6 -5.547 -7.395 -7.959
40 HD21 LEU 6 1HD2 LEU 6 -3.422 -9.622 -7.680
41 HD22 LEU 6 2HD2 LEU 6 -5.173 -9.753 -7.582
42 HD23 LEU 6 3HD2 LEU 6 -4.174 -10.321 -6.243
43 H ILE 7 H ILE 7 -0.452 -9.035 -5.456
44 HA ILE 7 HA ILE 7 0.987 -7.916 -3.158
45 HB ILE 7 HB ILE 7 1.962 -9.862 -5.279
46 HG12 ILE 7 2HG1 ILE 7 1.428 -10.228 -2.327
47 HG13 ILE 7 1HG1 ILE 7 0.465 -10.879 -3.640
48 HG21 ILE 7 1HG2 ILE 7 3.765 -8.354 -4.599
49 HG22 ILE 7 2HG2 ILE 7 4.052 -9.981 -3.980
50 HG23 ILE 7 3HG2 ILE 7 3.450 -8.722 -2.903
51 HD11 ILE 7 1HD1 ILE 7 1.895 -12.575 -2.645
52 HD12 ILE 7 2HD1 ILE 7 3.314 -11.598 -3.043
53 HD13 ILE 7 3HD1 ILE 7 2.320 -12.278 -4.333
54 H GLY 8 H GLY 8 1.603 -5.975 -3.531
55 HA2 GLY 8 2HA GLY 8 2.616 -4.137 -4.556
56 HA3 GLY 8 1HA GLY 8 2.948 -5.162 -5.943
57 H ASN 9 H ASN 9 0.230 -5.886 -6.392
58 HA ASN 9 HA ASN 9 -0.563 -3.553 -7.988
59 HB2 ASN 9 2HB ASN 9 -1.564 -6.406 -7.947
60 HB3 ASN 9 1HB ASN 9 -2.199 -5.159 -9.004
61 HD21 ASN 9 1HD2 ASN 9 -1.650 -6.415 -10.757
62 HD22 ASN 9 2HD2 ASN 9 -0.037 -6.545 -11.318
63 H GLU 10 H GLU 10 -0.974 -4.178 -5.082
64 HA GLU 10 HA GLU 10 -3.814 -4.322 -4.860
65 HB2 GLU 10 2HB GLU 10 -2.438 -5.719 -3.470
66 HB3 GLU 10 1HB GLU 10 -1.638 -4.328 -2.776
67 HG2 GLU 10 2HG GLU 10 -3.259 -5.204 -1.313
68 HG3 GLU 10 1HG GLU 10 -3.743 -3.593 -1.881
69 H ARG 11 H ARG 11 -4.045 -2.386 -5.900
70 HA ARG 11 HA ARG 11 -3.211 0.151 -5.109
71 HB2 ARG 11 2HB ARG 11 -5.773 -0.632 -6.461
72 HB3 ARG 11 1HB ARG 11 -5.224 1.027 -6.281
73 HG2 ARG 11 2HG ARG 11 -3.801 -1.158 -7.788
74 HG3 ARG 11 1HG ARG 11 -4.734 0.162 -8.497
75 HD2 ARG 11 2HD ARG 11 -2.217 0.444 -6.848
76 HD3 ARG 11 1HD ARG 11 -2.340 0.624 -8.590
77 HE ARG 11 HE ARG 11 -4.149 2.393 -7.416
78 HH11 ARG 11 1HH1 ARG 11 -0.654 1.948 -7.584
79 HH12 ARG 11 2HH1 ARG 11 -0.276 3.598 -7.527
80 HH21 ARG 11 1HH2 ARG 11 -3.666 4.686 -7.297
81 HH22 ARG 11 2HH2 ARG 11 -2.039 5.195 -7.369
82 H LEU 12 H LEU 12 -5.758 -1.809 -3.763
83 HA LEU 12 HA LEU 12 -7.093 0.214 -2.304
84 HB2 LEU 12 2HB LEU 12 -6.757 -2.698 -1.622
85 HB3 LEU 12 1HB LEU 12 -7.898 -1.608 -0.865
86 HG LEU 12 HG LEU 12 -7.928 -2.495 -3.742
87 HD11 LEU 12 1HD1 LEU 12 -9.737 -3.134 -1.432
88 HD12 LEU 12 2HD1 LEU 12 -8.572 -4.224 -2.187
89 HD13 LEU 12 3HD1 LEU 12 -9.959 -3.642 -3.107
90 HD21 LEU 12 1HD2 LEU 12 -8.752 -0.218 -3.558
91 HD22 LEU 12 2HD2 LEU 12 -9.799 -0.685 -2.221
92 HD23 LEU 12 3HD2 LEU 12 -10.100 -1.323 -3.838
93 H CYS 13 H CYS 13 -4.146 -1.475 -1.794
94 HA CYS 13 HA CYS 13 -3.916 -0.536 0.917
95 HB2 CYS 13 2HB CYS 13 -3.074 -2.739 0.450
96 HB3 CYS 13 1HB CYS 13 -2.097 -2.141 -0.888
97 H VAL 14 H VAL 14 -2.437 -0.037 -2.242
98 HA VAL 14 HA VAL 14 -0.470 1.831 -1.583
99 HB VAL 14 HB VAL 14 -2.037 1.780 -4.162
100 HG11 VAL 14 1HG1 VAL 14 0.775 2.706 -3.590
101 HG12 VAL 14 2HG1 VAL 14 -0.612 3.731 -3.962
102 HG13 VAL 14 3HG1 VAL 14 0.027 2.634 -5.187
103 HG21 VAL 14 1HG2 VAL 14 -1.247 -0.461 -3.648
104 HG22 VAL 14 2HG2 VAL 14 0.392 0.152 -3.411
105 HG23 VAL 14 3HG2 VAL 14 -0.357 0.212 -5.008
106 H VAL 15 H VAL 15 -3.893 2.329 -2.323
107 HA VAL 15 HA VAL 15 -3.806 5.112 -2.546
108 HB VAL 15 HB VAL 15 -5.690 3.665 -3.316
109 HG11 VAL 15 1HG1 VAL 15 -7.487 3.071 -1.770
110 HG12 VAL 15 2HG1 VAL 15 -6.480 3.611 -0.425
111 HG13 VAL 15 3HG1 VAL 15 -5.972 2.239 -1.411
112 HG21 VAL 15 1HG2 VAL 15 -7.470 5.264 -2.837
113 HG22 VAL 15 2HG2 VAL 15 -5.945 6.082 -3.205
114 HG23 VAL 15 3HG2 VAL 15 -6.495 5.938 -1.533
115 H HIS 16 H HIS 16 -3.807 3.073 0.256
116 HA HIS 16 HA HIS 16 -4.632 5.032 2.173
117 HB2 HIS 16 2HB HIS 16 -4.798 2.664 2.727
118 HB3 HIS 16 1HB HIS 16 -3.090 2.433 2.413
119 HD1 HIS 16 1HD HIS 16 -5.442 3.807 5.022
120 HD2 HIS 16 2HD HIS 16 -1.403 3.001 4.500
121 HE1 HIS 16 1HE HIS 16 -4.383 4.059 7.291
122 H CYS 17 H CYS 17 -1.598 3.864 0.930
123 HA CYS 17 HA CYS 17 0.163 5.390 2.516
124 HB2 CYS 17 2HB CYS 17 0.558 4.498 -0.331
125 HB3 CYS 17 1HB CYS 17 1.797 4.803 0.883
126 H LEU 18 H LEU 18 -1.314 5.952 -0.653
127 HA LEU 18 HA LEU 18 -0.132 8.479 -1.118
128 HB2 LEU 18 2HB LEU 18 -2.718 7.365 -2.203
129 HB3 LEU 18 1HB LEU 18 -1.839 8.730 -2.858
130 HG LEU 18 HG LEU 18 -0.891 5.864 -2.822
131 HD11 LEU 18 1HD1 LEU 18 -1.155 5.985 -5.244
132 HD12 LEU 18 2HD1 LEU 18 -1.823 7.609 -5.088
133 HD13 LEU 18 3HD1 LEU 18 -2.686 6.231 -4.404
134 HD21 LEU 18 1HD2 LEU 18 0.958 6.678 -4.231
135 HD22 LEU 18 2HD2 LEU 18 0.992 7.388 -2.619
136 HD23 LEU 18 3HD2 LEU 18 0.399 8.334 -3.984
137 H ALA 19 H ALA 19 -3.006 7.437 0.568
138 HA ALA 19 HA ALA 19 -4.295 9.915 0.863
139 HB1 ALA 19 1HB ALA 19 -5.395 7.774 1.339
140 HB2 ALA 19 2HB ALA 19 -5.472 8.866 2.728
141 HB3 ALA 19 3HB ALA 19 -4.318 7.537 2.713
142 H LYS 20 H LYS 20 -2.058 8.167 2.964
143 HA LYS 20 HA LYS 20 -1.964 10.216 4.907
144 HB2 LYS 20 2HB LYS 20 -0.118 7.905 4.376
145 HB3 LYS 20 1HB LYS 20 0.149 9.045 5.687
146 HG2 LYS 20 2HG LYS 20 -2.096 8.451 6.581
147 HG3 LYS 20 1HG LYS 20 -2.229 7.221 5.331
148 HD2 LYS 20 2HD LYS 20 -0.370 6.030 6.181
149 HD3 LYS 20 1HD LYS 20 0.050 7.335 7.288
150 HE2 LYS 20 2HE LYS 20 -2.476 5.681 7.391
151 HE3 LYS 20 1HE LYS 20 -1.075 5.480 8.439
152 HZ1 LYS 20 1HZ LYS 20 -2.794 6.746 9.535
153 HZ2 LYS 20 2HZ LYS 20 -2.808 7.894 8.308
154 HZ3 LYS 20 3HZ LYS 20 -1.445 7.725 9.279
155 H GLY 21 H GLY 21 -0.026 9.582 2.087
156 HA2 GLY 21 2HA GLY 21 0.780 11.747 1.072
157 HA3 GLY 21 1HA GLY 21 1.418 12.103 2.673
158 H PHE 22 H PHE 22 1.510 8.938 1.304
159 HA PHE 22 HA PHE 22 4.381 9.000 1.380
160 HB2 PHE 22 2HB PHE 22 2.323 6.870 1.239
161 HB3 PHE 22 1HB PHE 22 3.935 6.451 0.678
162 HD1 PHE 22 1HD PHE 22 1.815 7.059 3.509
163 HD2 PHE 22 2HD PHE 22 5.807 6.747 2.140
164 HE1 PHE 22 1HE PHE 22 2.576 6.703 5.818
165 HE2 PHE 22 2HE PHE 22 6.593 6.392 4.326
166 HZ PHE 22 HZ PHE 22 4.986 6.362 6.269
167 H ARG 23 H ARG 23 5.632 8.206 -0.322
168 HA ARG 23 HA ARG 23 4.856 9.243 -2.833
169 HB2 ARG 23 2HB ARG 23 7.212 9.192 -2.034
170 HB3 ARG 23 1HB ARG 23 7.193 7.439 -2.146
171 HG2 ARG 23 2HG ARG 23 8.326 8.501 -4.044
172 HG3 ARG 23 1HG ARG 23 6.922 7.558 -4.547
173 HD2 ARG 23 2HD ARG 23 7.024 9.705 -5.724
174 HD3 ARG 23 1HD ARG 23 5.594 9.595 -4.705
175 HE ARG 23 HE ARG 23 7.949 10.885 -3.613
176 HH11 ARG 23 1HH1 ARG 23 4.697 11.292 -5.016
177 HH12 ARG 23 2HH1 ARG 23 4.521 12.899 -4.500
178 HH21 ARG 23 1HH2 ARG 23 7.702 13.111 -2.933
179 HH22 ARG 23 2HH2 ARG 23 6.286 13.971 -3.317
180 H GLY 24 H GLY 24 4.437 6.267 -1.210
181 HA2 GLY 24 2HA GLY 24 2.523 5.312 -2.871
182 HA3 GLY 24 1HA GLY 24 4.028 4.716 -3.562
183 H GLY 25 H GLY 25 2.515 2.816 -2.893
184 HA2 GLY 25 2HA GLY 25 3.698 1.738 -0.502
185 HA3 GLY 25 1HA GLY 25 1.938 1.834 -0.556
186 H TRP 26 H TRP 26 3.109 -0.597 -0.346
187 HA TRP 26 HA TRP 26 2.092 -1.872 -2.666
188 HB2 TRP 26 2HB TRP 26 4.092 -2.967 -3.434
189 HB3 TRP 26 1HB TRP 26 4.412 -1.243 -3.426
190 HD1 TRP 26 HD TRP 26 5.963 -4.410 -2.481
191 HE1 TRP 26 1HE TRP 26 7.970 -4.042 -0.887
192 HE3 TRP 26 3HE TRP 26 5.076 0.408 -1.102
193 HZ2 TRP 26 2HZ TRP 26 8.998 -2.042 0.716
194 HZ3 TRP 26 3HZ TRP 26 6.580 1.511 0.468
195 HH2 TRP 26 HH TRP 26 8.537 0.320 1.362
196 H CYS 27 H CYS 27 1.843 -4.043 -2.300
197 HA CYS 27 HA CYS 27 2.246 -4.922 0.442
198 HB2 CYS 27 2HB CYS 27 0.788 -6.164 -1.889
199 HB3 CYS 27 1HB CYS 27 0.915 -6.886 -0.286
200 H ASP 28 H ASP 28 3.961 -6.110 0.872
201 HA ASP 28 HA ASP 28 5.606 -6.938 -1.356
202 HB2 ASP 28 2HB ASP 28 7.386 -7.342 0.228
203 HB3 ASP 28 1HB ASP 28 6.549 -5.916 0.753
204 H SER 29 H SER 29 6.730 -9.267 -0.786
205 HA SER 29 HA SER 29 4.974 -11.130 -1.727
206 HB2 SER 29 2HB SER 29 7.474 -11.660 -0.144
207 HB3 SER 29 1HB SER 29 6.775 -12.651 -1.430
208 HG SER 29 HG SER 29 8.572 -11.174 -1.963
209 H ARG 30 H ARG 30 5.562 -10.250 1.628
210 HA ARG 30 HA ARG 30 4.428 -12.685 2.739
211 HB2 ARG 30 2HB ARG 30 5.147 -10.069 4.038
212 HB3 ARG 30 1HB ARG 30 4.732 -11.551 4.879
213 HG2 ARG 30 2HG ARG 30 6.743 -12.581 4.239
214 HG3 ARG 30 1HG ARG 30 7.075 -11.338 3.023
215 HD2 ARG 30 2HD ARG 30 6.996 -10.942 6.013
216 HD3 ARG 30 1HD ARG 30 8.444 -10.938 4.995
217 HE ARG 30 HE ARG 30 6.864 -9.066 3.857
218 HH11 ARG 30 1HH1 ARG 30 8.096 -9.445 7.152
219 HH12 ARG 30 2HH1 ARG 30 8.024 -7.778 7.507
220 HH21 ARG 30 1HH2 ARG 30 6.724 -6.861 4.340
221 HH22 ARG 30 2HH2 ARG 30 7.237 -6.242 5.855
222 H LYS 31 H LYS 31 3.026 -10.213 1.157
223 HA LYS 31 HA LYS 31 0.937 -9.362 0.986
224 HB2 LYS 31 2HB LYS 31 0.290 -11.418 3.105
225 HB3 LYS 31 1HB LYS 31 -0.922 -10.345 2.435
226 HG2 LYS 31 2HG LYS 31 0.708 -12.327 0.861
227 HG3 LYS 31 1HG LYS 31 -0.946 -12.584 1.413
228 HD2 LYS 31 2HD LYS 31 -1.543 -10.468 0.135
229 HD3 LYS 31 1HD LYS 31 0.061 -10.571 -0.590
230 HE2 LYS 31 2HE LYS 31 -1.577 -11.579 -2.055
231 HE3 LYS 31 1HE LYS 31 -0.488 -12.814 -1.423
232 HZ1 LYS 31 1HZ LYS 31 -2.181 -13.461 0.169
233 HZ2 LYS 31 2HZ LYS 31 -2.826 -13.515 -1.384
234 HZ3 LYS 31 3HZ LYS 31 -3.210 -12.242 -0.359
235 H VAL 32 H VAL 32 2.946 -8.345 2.821
236 HA VAL 32 HA VAL 32 1.322 -6.993 4.851
237 HB VAL 32 HB VAL 32 4.331 -7.008 4.441
238 HG11 VAL 32 1HG1 VAL 32 3.571 -4.981 5.566
239 HG12 VAL 32 2HG1 VAL 32 4.464 -6.022 6.675
240 HG13 VAL 32 3HG1 VAL 32 2.705 -5.955 6.756
241 HG21 VAL 32 1HG2 VAL 32 4.421 -8.458 6.402
242 HG22 VAL 32 2HG2 VAL 32 3.491 -9.202 5.096
243 HG23 VAL 32 3HG2 VAL 32 2.659 -8.476 6.469
244 H CYS 33 H CYS 33 0.809 -4.961 4.715
245 HA CYS 33 HA CYS 33 1.372 -3.491 2.330
246 HB2 CYS 33 2HB CYS 33 -0.364 -3.085 4.726
247 HB3 CYS 33 1HB CYS 33 0.117 -1.694 3.758
248 H ASN 34 H ASN 34 3.035 -2.217 2.055
249 HA ASN 34 HA ASN 34 4.220 -0.924 4.414
250 HB2 ASN 34 2HB ASN 34 5.796 -1.818 1.981
251 HB3 ASN 34 1HB ASN 34 6.433 -1.182 3.487
252 HD21 ASN 34 1HD2 ASN 34 5.271 -3.903 1.811
253 HD22 ASN 34 2HD2 ASN 34 5.621 -5.120 2.977
254 H CYS 35 H CYS 35 4.442 1.256 4.127
255 HA CYS 35 HA CYS 35 4.094 2.324 1.381
256 HB2 CYS 35 2HB CYS 35 3.394 3.694 3.990
257 HB3 CYS 35 1HB CYS 35 3.043 4.266 2.372
258 H ARG 36 H ARG 36 5.596 3.521 0.568
259 HA ARG 36 HA ARG 36 7.306 5.230 1.888
260 HB2 ARG 36 2HB ARG 36 8.176 3.209 3.047
261 HB3 ARG 36 1HB ARG 36 8.590 2.518 1.488
262 HG2 ARG 36 2HG ARG 36 10.183 4.295 1.109
263 HG3 ARG 36 1HG ARG 36 9.755 5.025 2.659
264 HD2 ARG 36 2HD ARG 36 10.465 2.980 3.803
265 HD3 ARG 36 1HD ARG 36 10.904 2.281 2.243
266 HE ARG 36 HE ARG 36 12.201 4.718 2.550
267 HH11 ARG 36 1HH1 ARG 36 12.284 1.431 3.860
268 HH12 ARG 36 2HH1 ARG 36 13.917 1.466 4.302
269 HH21 ARG 36 1HH2 ARG 36 14.492 4.784 3.137
270 HH22 ARG 36 2HH2 ARG 36 15.204 3.428 3.855
271 H ARG 37 H ARG 37 7.654 2.609 -0.437
272 HA ARG 37 HA ARG 37 9.374 4.116 -2.086
273 HB2 ARG 37 2HB ARG 37 9.807 2.050 -3.183
274 HB3 ARG 37 1HB ARG 37 9.268 1.673 -1.537
275 HG2 ARG 37 2HG ARG 37 7.275 0.924 -2.127
276 HG3 ARG 37 1HG ARG 37 7.348 1.556 -3.792
277 HD2 ARG 37 2HD ARG 37 9.031 -0.644 -2.580
278 HD3 ARG 37 1HD ARG 37 7.684 -0.877 -3.687
279 HE ARG 37 HE ARG 37 9.582 0.814 -4.873
280 HH11 ARG 37 1HH1 ARG 37 9.203 -2.557 -3.911
281 HH12 ARG 37 2HH1 ARG 37 10.206 -3.167 -5.133
282 HH21 ARG 37 1HH2 ARG 37 10.942 0.004 -6.546
283 HH22 ARG 37 2HH2 ARG 37 11.230 -1.675 -6.687
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -9.685 -2.703 5.804
2 H2 GLY 1 2HT GLY 1 -9.706 -1.200 5.066
3 H3 GLY 1 3HT GLY 1 -10.139 -1.331 6.706
4 HA2 GLY 1 1HA GLY 1 -7.950 -0.422 6.522
5 HA3 GLY 1 2HA GLY 1 -7.860 -2.055 7.183
6 H ILE 2 H ILE 2 -5.597 -1.905 6.353
7 HA ILE 2 HA ILE 2 -5.476 -2.147 3.488
8 HB ILE 2 HB ILE 2 -2.956 -2.196 3.901
9 HG12 ILE 2 2HG1 ILE 2 -3.879 -1.258 6.629
10 HG13 ILE 2 1HG1 ILE 2 -2.964 -2.716 6.277
11 HG21 ILE 2 1HG2 ILE 2 -2.848 0.235 4.073
12 HG22 ILE 2 2HG2 ILE 2 -4.527 0.261 4.603
13 HG23 ILE 2 3HG2 ILE 2 -4.126 -0.295 2.978
14 HD11 ILE 2 1HD1 ILE 2 -1.538 -1.005 7.223
15 HD12 ILE 2 2HD1 ILE 2 -2.017 0.118 5.948
16 HD13 ILE 2 3HD1 ILE 2 -1.073 -1.311 5.547
17 H THR 3 H THR 3 -5.451 -3.934 2.526
18 HA THR 3 HA THR 3 -4.649 -6.405 3.855
19 HB THR 3 HB THR 3 -7.159 -6.004 2.219
20 HG1 THR 3 1HG THR 3 -6.635 -5.687 4.932
21 HG21 THR 3 1HG2 THR 3 -6.267 -8.312 3.968
22 HG22 THR 3 2HG2 THR 3 -6.265 -8.294 2.205
23 HG23 THR 3 3HG2 THR 3 -7.792 -8.225 3.084
24 H CYS 4 H CYS 4 -4.021 -8.000 2.181
25 HA CYS 4 HA CYS 4 -3.562 -6.678 -0.367
26 HB2 CYS 4 2HB CYS 4 -1.698 -8.536 1.076
27 HB3 CYS 4 1HB CYS 4 -1.422 -7.816 -0.508
28 H ASP 5 H ASP 5 -5.109 -7.571 -1.573
29 HA ASP 5 HA ASP 5 -5.343 -10.474 -1.650
30 HB2 ASP 5 2HB ASP 5 -7.395 -9.133 -2.008
31 HB3 ASP 5 1HB ASP 5 -6.609 -8.327 -3.363
32 H LEU 6 H LEU 6 -4.068 -7.759 -3.340
33 HA LEU 6 HA LEU 6 -2.647 -9.508 -5.187
34 HB2 LEU 6 2HB LEU 6 -3.174 -6.537 -5.305
35 HB3 LEU 6 1HB LEU 6 -2.355 -7.489 -6.528
36 HG LEU 6 HG LEU 6 -5.264 -7.708 -5.765
37 HD11 LEU 6 1HD1 LEU 6 -3.949 -6.539 -8.212
38 HD12 LEU 6 2HD1 LEU 6 -4.762 -5.638 -6.934
39 HD13 LEU 6 3HD1 LEU 6 -5.684 -6.729 -7.966
40 HD21 LEU 6 1HD2 LEU 6 -3.706 -9.072 -7.960
41 HD22 LEU 6 2HD2 LEU 6 -5.449 -9.170 -7.716
42 HD23 LEU 6 3HD2 LEU 6 -4.354 -9.846 -6.513
43 H ILE 7 H ILE 7 -0.474 -9.135 -5.324
44 HA ILE 7 HA ILE 7 0.720 -7.746 -3.054
45 HB ILE 7 HB ILE 7 1.922 -9.868 -4.866
46 HG12 ILE 7 2HG1 ILE 7 1.161 -9.923 -1.940
47 HG13 ILE 7 1HG1 ILE 7 0.282 -10.702 -3.241
48 HG21 ILE 7 1HG2 ILE 7 3.185 -8.445 -2.519
49 HG22 ILE 7 2HG2 ILE 7 3.654 -8.282 -4.211
50 HG23 ILE 7 3HG2 ILE 7 3.880 -9.821 -3.377
51 HD11 ILE 7 1HD1 ILE 7 1.619 -12.306 -1.998
52 HD12 ILE 7 2HD1 ILE 7 3.076 -11.373 -2.348
53 HD13 ILE 7 3HD1 ILE 7 2.201 -12.162 -3.659
54 H GLY 8 H GLY 8 1.478 -5.842 -3.430
55 HA2 GLY 8 2HA GLY 8 2.778 -4.177 -4.434
56 HA3 GLY 8 1HA GLY 8 3.032 -5.253 -5.802
57 H ASN 9 H ASN 9 0.367 -5.772 -6.392
58 HA ASN 9 HA ASN 9 -0.268 -3.367 -7.966
59 HB2 ASN 9 2HB ASN 9 -1.469 -6.149 -8.020
60 HB3 ASN 9 1HB ASN 9 -1.845 -4.863 -9.154
61 HD21 ASN 9 1HD2 ASN 9 -0.752 -7.527 -9.608
62 HD22 ASN 9 2HD2 ASN 9 0.745 -7.300 -10.422
63 H GLU 10 H GLU 10 -0.840 -4.007 -5.068
64 HA GLU 10 HA GLU 10 -3.686 -4.151 -5.007
65 HB2 GLU 10 2HB GLU 10 -2.454 -5.599 -3.586
66 HB3 GLU 10 1HB GLU 10 -1.598 -4.284 -2.834
67 HG2 GLU 10 2HG GLU 10 -3.303 -5.118 -1.443
68 HG3 GLU 10 1HG GLU 10 -3.688 -3.466 -1.961
69 H ARG 11 H ARG 11 -3.903 -2.199 -5.981
70 HA ARG 11 HA ARG 11 -3.116 0.286 -4.964
71 HB2 ARG 11 2HB ARG 11 -5.553 -0.309 -6.627
72 HB3 ARG 11 1HB ARG 11 -4.913 1.293 -6.312
73 HG2 ARG 11 2HG ARG 11 -2.766 0.557 -7.378
74 HG3 ARG 11 1HG ARG 11 -3.587 -0.927 -7.856
75 HD2 ARG 11 2HD ARG 11 -3.622 0.647 -9.702
76 HD3 ARG 11 1HD ARG 11 -5.257 0.436 -9.079
77 HE ARG 11 HE ARG 11 -4.099 2.595 -7.750
78 HH11 ARG 11 1HH1 ARG 11 -5.041 1.909 -11.118
79 HH12 ARG 11 2HH1 ARG 11 -5.468 3.541 -11.421
80 HH21 ARG 11 1HH2 ARG 11 -4.678 4.739 -8.222
81 HH22 ARG 11 2HH2 ARG 11 -5.266 5.167 -9.765
82 H LEU 12 H LEU 12 -5.616 -1.799 -3.820
83 HA LEU 12 HA LEU 12 -7.092 0.161 -2.364
84 HB2 LEU 12 2HB LEU 12 -6.788 -2.813 -1.949
85 HB3 LEU 12 1HB LEU 12 -7.912 -1.808 -1.062
86 HG LEU 12 HG LEU 12 -7.995 -2.253 -4.051
87 HD11 LEU 12 1HD1 LEU 12 -8.496 -4.279 -2.793
88 HD12 LEU 12 2HD1 LEU 12 -9.943 -3.638 -3.573
89 HD13 LEU 12 3HD1 LEU 12 -9.687 -3.399 -1.843
90 HD21 LEU 12 1HD2 LEU 12 -9.959 -0.944 -2.174
91 HD22 LEU 12 2HD2 LEU 12 -10.190 -1.210 -3.901
92 HD23 LEU 12 3HD2 LEU 12 -8.939 -0.105 -3.342
93 H CYS 13 H CYS 13 -4.159 -1.519 -1.897
94 HA CYS 13 HA CYS 13 -3.938 -0.763 0.873
95 HB2 CYS 13 2HB CYS 13 -3.021 -2.890 0.286
96 HB3 CYS 13 1HB CYS 13 -2.130 -2.202 -1.068
97 H VAL 14 H VAL 14 -2.447 -0.033 -2.239
98 HA VAL 14 HA VAL 14 -0.517 1.825 -1.501
99 HB VAL 14 HB VAL 14 -2.144 1.897 -4.038
100 HG11 VAL 14 1HG1 VAL 14 -0.133 2.901 -5.060
101 HG12 VAL 14 2HG1 VAL 14 0.625 2.942 -3.466
102 HG13 VAL 14 3HG1 VAL 14 -0.821 3.899 -3.780
103 HG21 VAL 14 1HG2 VAL 14 0.386 0.366 -3.456
104 HG22 VAL 14 2HG2 VAL 14 -0.397 0.488 -5.031
105 HG23 VAL 14 3HG2 VAL 14 -1.217 -0.327 -3.699
106 H VAL 15 H VAL 15 -3.963 2.358 -2.146
107 HA VAL 15 HA VAL 15 -3.953 5.131 -2.210
108 HB VAL 15 HB VAL 15 -5.899 3.712 -2.824
109 HG11 VAL 15 1HG1 VAL 15 -6.327 3.477 0.131
110 HG12 VAL 15 2HG1 VAL 15 -5.952 2.173 -0.999
111 HG13 VAL 15 3HG1 VAL 15 -7.499 3.019 -1.103
112 HG21 VAL 15 1HG2 VAL 15 -6.515 5.912 -0.853
113 HG22 VAL 15 2HG2 VAL 15 -7.655 5.247 -2.023
114 HG23 VAL 15 3HG2 VAL 15 -6.218 6.105 -2.581
115 H HIS 16 H HIS 16 -3.728 3.016 0.563
116 HA HIS 16 HA HIS 16 -4.384 4.956 2.539
117 HB2 HIS 16 2HB HIS 16 -4.462 2.592 3.084
118 HB3 HIS 16 1HB HIS 16 -2.768 2.401 2.675
119 HD1 HIS 16 1HD HIS 16 -4.828 4.320 5.272
120 HD2 HIS 16 2HD HIS 16 -1.164 2.442 4.787
121 HE1 HIS 16 1HE HIS 16 -3.669 4.463 7.525
122 H CYS 17 H CYS 17 -1.396 3.866 1.090
123 HA CYS 17 HA CYS 17 0.368 5.504 2.609
124 HB2 CYS 17 2HB CYS 17 0.741 4.423 -0.180
125 HB3 CYS 17 1HB CYS 17 1.997 4.847 0.978
126 H LEU 18 H LEU 18 -1.331 5.916 -0.450
127 HA LEU 18 HA LEU 18 -0.155 8.421 -1.110
128 HB2 LEU 18 2HB LEU 18 -2.753 7.210 -2.042
129 HB3 LEU 18 1HB LEU 18 -1.953 8.585 -2.777
130 HG LEU 18 HG LEU 18 -0.886 5.768 -2.669
131 HD11 LEU 18 1HD1 LEU 18 -1.215 5.799 -5.094
132 HD12 LEU 18 2HD1 LEU 18 -1.976 7.385 -4.960
133 HD13 LEU 18 3HD1 LEU 18 -2.729 5.977 -4.209
134 HD21 LEU 18 1HD2 LEU 18 0.935 7.364 -2.584
135 HD22 LEU 18 2HD2 LEU 18 0.238 8.251 -3.938
136 HD23 LEU 18 3HD2 LEU 18 0.859 6.618 -4.182
137 H ALA 19 H ALA 19 -2.986 7.484 0.728
138 HA ALA 19 HA ALA 19 -4.053 10.091 0.979
139 HB1 ALA 19 1HB ALA 19 -5.431 9.142 2.758
140 HB2 ALA 19 2HB ALA 19 -4.421 7.695 2.778
141 HB3 ALA 19 3HB ALA 19 -5.397 8.067 1.358
142 H LYS 20 H LYS 20 -1.863 8.148 2.933
143 HA LYS 20 HA LYS 20 -1.633 10.066 5.019
144 HB2 LYS 20 2HB LYS 20 0.264 7.839 4.293
145 HB3 LYS 20 1HB LYS 20 0.304 8.762 5.788
146 HG2 LYS 20 2HG LYS 20 -1.939 7.916 6.338
147 HG3 LYS 20 1HG LYS 20 -1.920 6.953 4.861
148 HD2 LYS 20 2HD LYS 20 -1.295 5.484 6.602
149 HD3 LYS 20 1HD LYS 20 0.194 5.881 5.750
150 HE2 LYS 20 2HE LYS 20 0.613 5.954 8.114
151 HE3 LYS 20 1HE LYS 20 0.655 7.594 7.476
152 HZ1 LYS 20 1HZ LYS 20 -1.597 6.344 8.938
153 HZ2 LYS 20 2HZ LYS 20 -1.638 7.891 8.295
154 HZ3 LYS 20 3HZ LYS 20 -0.573 7.528 9.538
155 H GLY 21 H GLY 21 0.013 9.649 1.994
156 HA2 GLY 21 2HA GLY 21 0.849 11.789 1.074
157 HA3 GLY 21 1HA GLY 21 1.505 12.109 2.671
158 H PHE 22 H PHE 22 1.736 8.932 1.508
159 HA PHE 22 HA PHE 22 4.593 9.083 1.417
160 HB2 PHE 22 2HB PHE 22 2.554 6.936 1.291
161 HB3 PHE 22 1HB PHE 22 4.121 6.518 0.641
162 HD1 PHE 22 1HD PHE 22 2.192 7.254 3.615
163 HD2 PHE 22 2HD PHE 22 6.041 6.551 2.005
164 HE1 PHE 22 1HE PHE 22 3.048 6.789 5.871
165 HE2 PHE 22 2HE PHE 22 6.916 6.087 4.139
166 HZ PHE 22 HZ PHE 22 5.436 6.194 6.175
167 H ARG 23 H ARG 23 5.761 8.044 -0.414
168 HA ARG 23 HA ARG 23 5.004 9.284 -2.869
169 HB2 ARG 23 2HB ARG 23 7.372 8.916 -2.093
170 HB3 ARG 23 1HB ARG 23 7.134 7.200 -2.359
171 HG2 ARG 23 2HG ARG 23 8.362 8.143 -4.200
172 HG3 ARG 23 1HG ARG 23 6.760 7.660 -4.759
173 HD2 ARG 23 2HD ARG 23 7.363 10.436 -3.858
174 HD3 ARG 23 1HD ARG 23 7.670 9.940 -5.529
175 HE ARG 23 HE ARG 23 5.137 9.290 -5.308
176 HH11 ARG 23 1HH1 ARG 23 6.655 12.206 -3.961
177 HH12 ARG 23 2HH1 ARG 23 5.330 13.213 -4.259
178 HH21 ARG 23 1HH2 ARG 23 3.292 10.682 -5.697
179 HH22 ARG 23 2HH2 ARG 23 3.364 12.322 -5.279
180 H GLY 24 H GLY 24 4.503 6.330 -1.279
181 HA2 GLY 24 2HA GLY 24 2.376 5.494 -2.777
182 HA3 GLY 24 1HA GLY 24 3.800 4.839 -3.586
183 H GLY 25 H GLY 25 2.542 2.841 -2.961
184 HA2 GLY 25 2HA GLY 25 3.708 1.806 -0.557
185 HA3 GLY 25 1HA GLY 25 1.948 1.890 -0.562
186 H TRP 26 H TRP 26 3.168 -0.520 -0.333
187 HA TRP 26 HA TRP 26 2.142 -1.882 -2.623
188 HB2 TRP 26 2HB TRP 26 4.159 -2.922 -3.401
189 HB3 TRP 26 1HB TRP 26 4.469 -1.198 -3.365
190 HD1 TRP 26 HD TRP 26 5.917 -4.396 -2.332
191 HE1 TRP 26 1HE TRP 26 7.907 -4.056 -0.714
192 HE3 TRP 26 3HE TRP 26 5.233 0.509 -1.171
193 HZ2 TRP 26 2HZ TRP 26 9.011 -2.050 0.813
194 HZ3 TRP 26 3HZ TRP 26 6.782 1.586 0.400
195 HH2 TRP 26 HH TRP 26 8.661 0.323 1.375
196 H CYS 27 H CYS 27 1.901 -4.044 -2.166
197 HA CYS 27 HA CYS 27 2.381 -4.840 0.582
198 HB2 CYS 27 2HB CYS 27 1.082 -6.299 -1.713
199 HB3 CYS 27 1HB CYS 27 1.164 -6.881 -0.052
200 H ASP 28 H ASP 28 4.013 -6.171 1.114
201 HA ASP 28 HA ASP 28 5.757 -6.983 -1.072
202 HB2 ASP 28 2HB ASP 28 7.499 -7.373 0.558
203 HB3 ASP 28 1HB ASP 28 6.683 -5.911 1.037
204 H SER 29 H SER 29 6.832 -9.345 -0.313
205 HA SER 29 HA SER 29 4.852 -11.093 -1.170
206 HB2 SER 29 2HB SER 29 6.662 -12.828 -0.615
207 HB3 SER 29 1HB SER 29 7.034 -11.590 -1.816
208 HG SER 29 HG SER 29 7.961 -11.911 0.788
209 H ARG 30 H ARG 30 5.650 -10.119 2.049
210 HA ARG 30 HA ARG 30 4.503 -12.462 3.322
211 HB2 ARG 30 2HB ARG 30 5.181 -9.756 4.456
212 HB3 ARG 30 1HB ARG 30 4.758 -11.180 5.384
213 HG2 ARG 30 2HG ARG 30 6.804 -12.233 4.857
214 HG3 ARG 30 1HG ARG 30 7.166 -11.043 3.596
215 HD2 ARG 30 2HD ARG 30 6.981 -10.524 6.564
216 HD3 ARG 30 1HD ARG 30 8.445 -10.496 5.570
217 HE ARG 30 HE ARG 30 6.904 -8.737 4.303
218 HH11 ARG 30 1HH1 ARG 30 7.819 -8.936 7.716
219 HH12 ARG 30 2HH1 ARG 30 7.597 -7.281 8.022
220 HH21 ARG 30 1HH2 ARG 30 6.504 -6.549 4.719
221 HH22 ARG 30 2HH2 ARG 30 6.793 -5.836 6.255
222 H LYS 31 H LYS 31 3.083 -10.162 1.525
223 HA LYS 31 HA LYS 31 0.942 -9.390 1.271
224 HB2 LYS 31 2HB LYS 31 0.407 -11.218 3.614
225 HB3 LYS 31 1HB LYS 31 -0.851 -10.269 2.856
226 HG2 LYS 31 2HG LYS 31 0.809 -12.262 1.340
227 HG3 LYS 31 1HG LYS 31 -0.665 -12.703 2.197
228 HD2 LYS 31 2HD LYS 31 -1.797 -10.848 0.853
229 HD3 LYS 31 1HD LYS 31 -0.345 -10.854 -0.152
230 HE2 LYS 31 2HE LYS 31 -0.692 -13.159 -0.729
231 HE3 LYS 31 1HE LYS 31 -2.023 -13.294 0.415
232 HZ1 LYS 31 1HZ LYS 31 -2.972 -13.054 -1.690
233 HZ2 LYS 31 2HZ LYS 31 -1.989 -11.804 -2.156
234 HZ3 LYS 31 3HZ LYS 31 -3.176 -11.556 -0.958
235 H VAL 32 H VAL 32 2.969 -8.229 3.185
236 HA VAL 32 HA VAL 32 1.198 -6.774 4.993
237 HB VAL 32 HB VAL 32 4.239 -6.794 4.846
238 HG11 VAL 32 1HG1 VAL 32 4.164 -5.671 7.026
239 HG12 VAL 32 2HG1 VAL 32 2.405 -5.598 6.923
240 HG13 VAL 32 3HG1 VAL 32 3.392 -4.699 5.772
241 HG21 VAL 32 1HG2 VAL 32 4.150 -8.114 6.906
242 HG22 VAL 32 2HG2 VAL 32 3.347 -8.948 5.573
243 HG23 VAL 32 3HG2 VAL 32 2.389 -8.140 6.812
244 H CYS 33 H CYS 33 0.762 -4.717 4.791
245 HA CYS 33 HA CYS 33 1.359 -3.433 2.317
246 HB2 CYS 33 2HB CYS 33 -0.427 -2.905 4.632
247 HB3 CYS 33 1HB CYS 33 0.039 -1.546 3.599
248 H ASN 34 H ASN 34 3.070 -2.265 1.964
249 HA ASN 34 HA ASN 34 4.403 -0.970 4.240
250 HB2 ASN 34 2HB ASN 34 5.633 -1.904 1.638
251 HB3 ASN 34 1HB ASN 34 6.486 -1.169 2.980
252 HD21 ASN 34 1HD2 ASN 34 5.050 -3.990 1.723
253 HD22 ASN 34 2HD2 ASN 34 5.619 -5.118 2.896
254 H CYS 35 H CYS 35 4.840 1.198 3.946
255 HA CYS 35 HA CYS 35 4.007 2.344 1.375
256 HB2 CYS 35 2HB CYS 35 3.898 3.629 4.115
257 HB3 CYS 35 1HB CYS 35 3.429 4.390 2.609
258 H ARG 36 H ARG 36 5.480 3.341 0.217
259 HA ARG 36 HA ARG 36 7.331 5.173 0.989
260 HB2 ARG 36 2HB ARG 36 8.505 3.297 2.159
261 HB3 ARG 36 1HB ARG 36 8.695 2.506 0.602
262 HG2 ARG 36 2HG ARG 36 10.062 4.349 -0.208
263 HG3 ARG 36 1HG ARG 36 9.840 5.204 1.319
264 HD2 ARG 36 2HD ARG 36 11.225 2.551 0.938
265 HD3 ARG 36 1HD ARG 36 12.004 4.100 1.260
266 HE ARG 36 HE ARG 36 10.089 3.449 3.251
267 HH11 ARG 36 1HH1 ARG 36 13.413 2.793 2.270
268 HH12 ARG 36 2HH1 ARG 36 13.902 2.255 3.809
269 HH21 ARG 36 1HH2 ARG 36 10.758 2.728 5.338
270 HH22 ARG 36 2HH2 ARG 36 12.368 2.243 5.601
271 H ARG 37 H ARG 37 7.127 2.345 -1.186
272 HA ARG 37 HA ARG 37 8.485 3.669 -3.313
273 HB2 ARG 37 2HB ARG 37 6.933 1.078 -3.341
274 HB3 ARG 37 1HB ARG 37 8.060 1.623 -4.578
275 HG2 ARG 37 2HG ARG 37 9.861 1.515 -2.894
276 HG3 ARG 37 1HG ARG 37 8.656 0.922 -1.740
277 HD2 ARG 37 2HD ARG 37 8.188 -0.982 -3.238
278 HD3 ARG 37 1HD ARG 37 9.461 -0.423 -4.321
279 HE ARG 37 HE ARG 37 10.631 -0.652 -1.874
280 HH11 ARG 37 1HH1 ARG 37 8.984 -2.880 -4.099
281 HH12 ARG 37 2HH1 ARG 37 9.783 -4.265 -3.550
282 HH21 ARG 37 1HH2 ARG 37 11.764 -2.608 -1.112
283 HH22 ARG 37 2HH2 ARG 37 11.404 -4.106 -1.813
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -9.268 -0.421 3.818
2 H2 GLY 1 2HT GLY 1 -8.073 0.774 3.828
3 H3 GLY 1 3HT GLY 1 -9.240 0.754 5.052
4 HA2 GLY 1 1HA GLY 1 -7.194 -0.080 5.872
5 HA3 GLY 1 2HA GLY 1 -8.400 -1.362 5.802
6 H ILE 2 H ILE 2 -5.299 -0.964 5.431
7 HA ILE 2 HA ILE 2 -4.759 -1.950 2.869
8 HB ILE 2 HB ILE 2 -2.516 -2.604 3.834
9 HG12 ILE 2 2HG1 ILE 2 -3.698 -1.308 6.315
10 HG13 ILE 2 1HG1 ILE 2 -3.118 -2.954 6.139
11 HG21 ILE 2 1HG2 ILE 2 -3.470 0.227 4.110
12 HG22 ILE 2 2HG2 ILE 2 -2.837 -0.549 2.656
13 HG23 ILE 2 3HG2 ILE 2 -1.784 -0.275 4.041
14 HD11 ILE 2 1HD1 ILE 2 -1.386 -0.519 5.916
15 HD12 ILE 2 2HD1 ILE 2 -0.861 -2.210 5.968
16 HD13 ILE 2 3HD1 ILE 2 -1.604 -1.470 7.381
17 H THR 3 H THR 3 -5.072 -3.751 2.027
18 HA THR 3 HA THR 3 -5.139 -6.228 3.578
19 HB THR 3 HB THR 3 -7.037 -5.532 1.313
20 HG1 THR 3 1HG THR 3 -7.478 -4.075 2.937
21 HG21 THR 3 1HG2 THR 3 -6.774 -7.923 1.872
22 HG22 THR 3 2HG2 THR 3 -8.396 -7.346 2.262
23 HG23 THR 3 3HG2 THR 3 -7.206 -7.565 3.544
24 H CYS 4 H CYS 4 -4.505 -8.031 2.050
25 HA CYS 4 HA CYS 4 -3.409 -6.967 -0.425
26 HB2 CYS 4 2HB CYS 4 -2.152 -9.052 1.358
27 HB3 CYS 4 1HB CYS 4 -1.554 -8.647 -0.242
28 H ASP 5 H ASP 5 -5.090 -7.504 -1.638
29 HA ASP 5 HA ASP 5 -6.024 -10.264 -1.775
30 HB2 ASP 5 2HB ASP 5 -7.599 -8.326 -1.997
31 HB3 ASP 5 1HB ASP 5 -6.716 -7.812 -3.426
32 H LEU 6 H LEU 6 -4.148 -7.857 -3.439
33 HA LEU 6 HA LEU 6 -2.824 -9.926 -4.997
34 HB2 LEU 6 2HB LEU 6 -3.651 -7.168 -5.924
35 HB3 LEU 6 1HB LEU 6 -2.551 -8.210 -6.793
36 HG LEU 6 HG LEU 6 -5.466 -8.797 -6.269
37 HD11 LEU 6 1HD1 LEU 6 -5.128 -6.950 -7.834
38 HD12 LEU 6 2HD1 LEU 6 -5.750 -8.380 -8.652
39 HD13 LEU 6 3HD1 LEU 6 -4.043 -7.958 -8.794
40 HD21 LEU 6 1HD2 LEU 6 -5.129 -10.636 -7.870
41 HD22 LEU 6 2HD2 LEU 6 -4.143 -10.838 -6.426
42 HD23 LEU 6 3HD2 LEU 6 -3.405 -10.267 -7.922
43 H ILE 7 H ILE 7 -0.674 -9.010 -5.679
44 HA ILE 7 HA ILE 7 0.323 -7.108 -3.705
45 HB ILE 7 HB ILE 7 1.754 -9.451 -5.009
46 HG12 ILE 7 2HG1 ILE 7 0.934 -8.870 -2.165
47 HG13 ILE 7 1HG1 ILE 7 0.356 -10.154 -3.200
48 HG21 ILE 7 1HG2 ILE 7 3.286 -7.572 -4.879
49 HG22 ILE 7 2HG2 ILE 7 3.738 -8.826 -3.723
50 HG23 ILE 7 3HG2 ILE 7 2.917 -7.369 -3.166
51 HD11 ILE 7 1HD1 ILE 7 2.561 -11.205 -3.166
52 HD12 ILE 7 2HD1 ILE 7 1.890 -11.034 -1.543
53 HD13 ILE 7 3HD1 ILE 7 3.150 -9.930 -2.098
54 H GLY 8 H GLY 8 1.309 -5.330 -4.485
55 HA2 GLY 8 2HA GLY 8 2.414 -3.941 -6.005
56 HA3 GLY 8 1HA GLY 8 2.301 -5.212 -7.215
57 H ASN 9 H ASN 9 -0.344 -5.684 -7.263
58 HA ASN 9 HA ASN 9 -1.377 -3.339 -8.698
59 HB2 ASN 9 2HB ASN 9 -2.233 -6.225 -8.551
60 HB3 ASN 9 1HB ASN 9 -3.195 -5.005 -9.365
61 HD21 ASN 9 1HD2 ASN 9 -1.705 -7.411 -10.337
62 HD22 ASN 9 2HD2 ASN 9 -0.722 -6.813 -11.621
63 H GLU 10 H GLU 10 -1.286 -4.119 -5.753
64 HA GLU 10 HA GLU 10 -4.037 -4.160 -5.003
65 HB2 GLU 10 2HB GLU 10 -2.411 -5.589 -3.893
66 HB3 GLU 10 1HB GLU 10 -1.514 -4.177 -3.367
67 HG2 GLU 10 2HG GLU 10 -2.883 -5.215 -1.655
68 HG3 GLU 10 1HG GLU 10 -3.249 -3.507 -1.961
69 H ARG 11 H ARG 11 -4.382 -2.226 -5.992
70 HA ARG 11 HA ARG 11 -3.311 0.290 -5.330
71 HB2 ARG 11 2HB ARG 11 -6.007 -0.405 -6.476
72 HB3 ARG 11 1HB ARG 11 -5.335 1.218 -6.408
73 HG2 ARG 11 2HG ARG 11 -4.119 -1.106 -7.892
74 HG3 ARG 11 1HG ARG 11 -5.063 0.185 -8.632
75 HD2 ARG 11 2HD ARG 11 -2.421 0.457 -7.196
76 HD3 ARG 11 1HD ARG 11 -2.712 0.637 -8.922
77 HE ARG 11 HE ARG 11 -4.374 2.451 -7.770
78 HH11 ARG 11 1HH1 ARG 11 -0.877 1.902 -7.608
79 HH12 ARG 11 2HH1 ARG 11 -0.520 3.561 -7.385
80 HH21 ARG 11 1HH2 ARG 11 -3.861 4.685 -7.425
81 HH22 ARG 11 2HH2 ARG 11 -2.229 5.159 -7.282
82 H LEU 12 H LEU 12 -5.820 -1.585 -3.846
83 HA LEU 12 HA LEU 12 -6.825 0.539 -2.266
84 HB2 LEU 12 2HB LEU 12 -7.129 -2.442 -2.008
85 HB3 LEU 12 1HB LEU 12 -7.944 -1.297 -0.954
86 HG LEU 12 HG LEU 12 -8.324 -1.542 -3.942
87 HD11 LEU 12 1HD1 LEU 12 -10.103 -2.347 -1.651
88 HD12 LEU 12 2HD1 LEU 12 -9.259 -3.432 -2.756
89 HD13 LEU 12 3HD1 LEU 12 -10.545 -2.386 -3.358
90 HD21 LEU 12 1HD2 LEU 12 -10.212 0.002 -3.595
91 HD22 LEU 12 2HD2 LEU 12 -8.668 0.751 -3.207
92 HD23 LEU 12 3HD2 LEU 12 -9.731 0.199 -1.910
93 H CYS 13 H CYS 13 -4.055 -1.439 -2.028
94 HA CYS 13 HA CYS 13 -3.666 -0.839 0.766
95 HB2 CYS 13 2HB CYS 13 -2.705 -2.906 0.020
96 HB3 CYS 13 1HB CYS 13 -1.928 -2.120 -1.360
97 H VAL 14 H VAL 14 -2.395 0.098 -2.368
98 HA VAL 14 HA VAL 14 -0.435 1.946 -1.650
99 HB VAL 14 HB VAL 14 -2.220 2.170 -4.069
100 HG11 VAL 14 1HG1 VAL 14 0.624 3.070 -3.627
101 HG12 VAL 14 2HG1 VAL 14 -0.797 4.105 -3.759
102 HG13 VAL 14 3HG1 VAL 14 -0.253 3.172 -5.154
103 HG21 VAL 14 1HG2 VAL 14 -0.611 0.769 -5.244
104 HG22 VAL 14 2HG2 VAL 14 -1.374 -0.102 -3.914
105 HG23 VAL 14 3HG2 VAL 14 0.272 0.511 -3.742
106 H VAL 15 H VAL 15 -3.901 2.402 -2.128
107 HA VAL 15 HA VAL 15 -3.916 5.180 -2.041
108 HB VAL 15 HB VAL 15 -5.778 3.784 -2.860
109 HG11 VAL 15 1HG1 VAL 15 -6.415 3.327 0.028
110 HG12 VAL 15 2HG1 VAL 15 -5.858 2.126 -1.133
111 HG13 VAL 15 3HG1 VAL 15 -7.439 2.886 -1.343
112 HG21 VAL 15 1HG2 VAL 15 -6.168 6.130 -2.469
113 HG22 VAL 15 2HG2 VAL 15 -6.523 5.809 -0.773
114 HG23 VAL 15 3HG2 VAL 15 -7.612 5.212 -2.028
115 H HIS 16 H HIS 16 -3.712 2.887 0.572
116 HA HIS 16 HA HIS 16 -4.422 4.732 2.652
117 HB2 HIS 16 2HB HIS 16 -4.528 2.436 3.255
118 HB3 HIS 16 1HB HIS 16 -2.917 2.118 2.640
119 HD1 HIS 16 1HD HIS 16 -4.413 4.231 5.501
120 HD2 HIS 16 2HD HIS 16 -1.105 1.951 4.511
121 HE1 HIS 16 1HE HIS 16 -2.894 4.257 7.554
122 H CYS 17 H CYS 17 -1.464 3.747 1.165
123 HA CYS 17 HA CYS 17 0.252 5.388 2.702
124 HB2 CYS 17 2HB CYS 17 0.606 4.336 -0.099
125 HB3 CYS 17 1HB CYS 17 1.888 4.909 0.968
126 H LEU 18 H LEU 18 -1.548 5.898 -0.278
127 HA LEU 18 HA LEU 18 -0.480 8.469 -0.825
128 HB2 LEU 18 2HB LEU 18 -3.122 7.266 -1.651
129 HB3 LEU 18 1HB LEU 18 -2.430 8.731 -2.314
130 HG LEU 18 HG LEU 18 -1.258 5.961 -2.578
131 HD11 LEU 18 1HD1 LEU 18 -3.290 6.237 -3.889
132 HD12 LEU 18 2HD1 LEU 18 -1.872 6.161 -4.931
133 HD13 LEU 18 3HD1 LEU 18 -2.641 7.712 -4.604
134 HD21 LEU 18 1HD2 LEU 18 0.489 7.659 -2.547
135 HD22 LEU 18 2HD2 LEU 18 -0.380 8.598 -3.760
136 HD23 LEU 18 3HD2 LEU 18 0.285 7.020 -4.178
137 H ALA 19 H ALA 19 -3.158 7.322 1.134
138 HA ALA 19 HA ALA 19 -4.235 9.884 1.693
139 HB1 ALA 19 1HB ALA 19 -5.538 7.818 1.991
140 HB2 ALA 19 2HB ALA 19 -5.472 8.758 3.482
141 HB3 ALA 19 3HB ALA 19 -4.455 7.329 3.294
142 H LYS 20 H LYS 20 -1.820 7.864 3.195
143 HA LYS 20 HA LYS 20 -1.381 9.512 5.464
144 HB2 LYS 20 2HB LYS 20 0.404 7.480 4.135
145 HB3 LYS 20 1HB LYS 20 0.800 8.277 5.648
146 HG2 LYS 20 2HG LYS 20 -1.161 7.278 6.697
147 HG3 LYS 20 1HG LYS 20 -1.603 6.526 5.164
148 HD2 LYS 20 2HD LYS 20 -0.521 4.873 6.525
149 HD3 LYS 20 1HD LYS 20 0.562 5.298 5.207
150 HE2 LYS 20 2HE LYS 20 1.834 5.108 7.236
151 HE3 LYS 20 1HE LYS 20 1.760 6.802 6.744
152 HZ1 LYS 20 1HZ LYS 20 1.447 6.497 9.128
153 HZ2 LYS 20 2HZ LYS 20 0.093 5.560 8.863
154 HZ3 LYS 20 3HZ LYS 20 0.079 7.192 8.444
155 H GLY 21 H GLY 21 -0.096 9.483 2.241
156 HA2 GLY 21 2HA GLY 21 0.624 11.622 1.299
157 HA3 GLY 21 1HA GLY 21 1.367 11.977 2.857
158 H PHE 22 H PHE 22 1.496 8.883 1.301
159 HA PHE 22 HA PHE 22 4.385 9.094 1.181
160 HB2 PHE 22 2HB PHE 22 2.487 6.894 1.586
161 HB3 PHE 22 1HB PHE 22 3.935 6.454 0.699
162 HD1 PHE 22 1HD PHE 22 6.097 6.822 1.672
163 HD2 PHE 22 2HD PHE 22 2.527 7.321 3.898
164 HE1 PHE 22 1HE PHE 22 7.362 6.624 3.655
165 HE2 PHE 22 2HE PHE 22 3.810 7.129 5.988
166 HZ PHE 22 HZ PHE 22 6.247 6.781 5.896
167 H ARG 23 H ARG 23 5.527 8.259 -0.513
168 HA ARG 23 HA ARG 23 4.745 9.007 -3.084
169 HB2 ARG 23 2HB ARG 23 7.070 8.813 -2.227
170 HB3 ARG 23 1HB ARG 23 6.894 7.069 -2.238
171 HG2 ARG 23 2HG ARG 23 6.635 7.075 -4.638
172 HG3 ARG 23 1HG ARG 23 6.716 8.837 -4.659
173 HD2 ARG 23 2HD ARG 23 8.905 6.964 -3.765
174 HD3 ARG 23 1HD ARG 23 8.849 7.882 -5.273
175 HE ARG 23 HE ARG 23 8.554 9.620 -3.115
176 HH11 ARG 23 1HH1 ARG 23 11.059 7.714 -4.750
177 HH12 ARG 23 2HH1 ARG 23 12.346 8.670 -4.194
178 HH21 ARG 23 1HH2 ARG 23 10.331 10.918 -2.332
179 HH22 ARG 23 2HH2 ARG 23 11.921 10.554 -2.800
180 H GLY 24 H GLY 24 4.291 6.069 -1.288
181 HA2 GLY 24 2HA GLY 24 2.264 5.068 -2.790
182 HA3 GLY 24 1HA GLY 24 3.710 4.463 -3.586
183 H GLY 25 H GLY 25 2.254 2.540 -2.772
184 HA2 GLY 25 2HA GLY 25 3.542 1.554 -0.390
185 HA3 GLY 25 1HA GLY 25 1.785 1.655 -0.380
186 H TRP 26 H TRP 26 3.147 -0.742 -0.136
187 HA TRP 26 HA TRP 26 2.071 -2.178 -2.381
188 HB2 TRP 26 2HB TRP 26 4.113 -3.128 -3.203
189 HB3 TRP 26 1HB TRP 26 4.357 -1.391 -3.179
190 HD1 TRP 26 HD TRP 26 5.960 -4.551 -2.084
191 HE1 TRP 26 1HE TRP 26 7.939 -4.102 -0.510
192 HE3 TRP 26 3HE TRP 26 5.107 0.368 -1.075
193 HZ2 TRP 26 2HZ TRP 26 8.989 -1.973 0.961
194 HZ3 TRP 26 3HZ TRP 26 6.622 1.544 0.450
195 HH2 TRP 26 HH TRP 26 8.554 0.370 1.451
196 H CYS 27 H CYS 27 1.820 -4.344 -1.868
197 HA CYS 27 HA CYS 27 2.378 -5.189 0.836
198 HB2 CYS 27 2HB CYS 27 1.312 -6.728 -1.557
199 HB3 CYS 27 1HB CYS 27 1.392 -7.341 0.088
200 H ASP 28 H ASP 28 4.157 -6.363 1.363
201 HA ASP 28 HA ASP 28 5.887 -7.162 -0.858
202 HB2 ASP 28 2HB ASP 28 7.728 -7.330 0.730
203 HB3 ASP 28 1HB ASP 28 6.908 -5.810 1.021
204 H SER 29 H SER 29 7.206 -9.337 0.080
205 HA SER 29 HA SER 29 5.413 -11.396 -0.467
206 HB2 SER 29 2HB SER 29 8.091 -11.602 0.892
207 HB3 SER 29 1HB SER 29 7.254 -12.880 0.009
208 HG SER 29 HG SER 29 7.296 -11.009 -1.699
209 H ARG 30 H ARG 30 6.082 -9.885 2.585
210 HA ARG 30 HA ARG 30 5.217 -12.135 4.191
211 HB2 ARG 30 2HB ARG 30 5.709 -9.259 4.919
212 HB3 ARG 30 1HB ARG 30 5.418 -10.556 6.058
213 HG2 ARG 30 2HG ARG 30 7.512 -11.567 5.561
214 HG3 ARG 30 1HG ARG 30 7.753 -10.510 4.162
215 HD2 ARG 30 2HD ARG 30 7.635 -9.660 7.054
216 HD3 ARG 30 1HD ARG 30 9.067 -9.675 6.016
217 HE ARG 30 HE ARG 30 7.312 -8.176 4.634
218 HH11 ARG 30 1HH1 ARG 30 8.697 -7.871 7.871
219 HH12 ARG 30 2HH1 ARG 30 8.381 -6.198 7.998
220 HH21 ARG 30 1HH2 ARG 30 6.858 -5.967 4.811
221 HH22 ARG 30 2HH2 ARG 30 7.312 -5.048 6.195
222 H LYS 31 H LYS 31 3.531 -10.147 2.218
223 HA LYS 31 HA LYS 31 1.352 -9.553 1.943
224 HB2 LYS 31 2HB LYS 31 0.816 -11.000 4.560
225 HB3 LYS 31 1HB LYS 31 -0.416 -10.401 3.470
226 HG2 LYS 31 2HG LYS 31 1.588 -12.539 2.791
227 HG3 LYS 31 1HG LYS 31 -0.062 -12.832 3.353
228 HD2 LYS 31 2HD LYS 31 -0.891 -11.616 1.359
229 HD3 LYS 31 1HD LYS 31 0.778 -11.469 0.798
230 HE2 LYS 31 2HE LYS 31 1.005 -13.884 0.718
231 HE3 LYS 31 1HE LYS 31 -0.606 -14.085 1.385
232 HZ1 LYS 31 1HZ LYS 31 -0.562 -14.407 -1.005
233 HZ2 LYS 31 2HZ LYS 31 0.023 -12.851 -1.231
234 HZ3 LYS 31 3HZ LYS 31 -1.511 -13.077 -0.578
235 H VAL 32 H VAL 32 3.356 -8.184 3.754
236 HA VAL 32 HA VAL 32 1.574 -6.526 5.372
237 HB VAL 32 HB VAL 32 4.606 -6.486 5.185
238 HG11 VAL 32 1HG1 VAL 32 4.529 -5.150 7.240
239 HG12 VAL 32 2HG1 VAL 32 2.767 -5.155 7.176
240 HG13 VAL 32 3HG1 VAL 32 3.692 -4.345 5.912
241 HG21 VAL 32 1HG2 VAL 32 3.825 -8.593 6.138
242 HG22 VAL 32 2HG2 VAL 32 2.840 -7.714 7.306
243 HG23 VAL 32 3HG2 VAL 32 4.599 -7.600 7.373
244 H CYS 33 H CYS 33 1.022 -4.590 4.832
245 HA CYS 33 HA CYS 33 1.904 -3.500 2.326
246 HB2 CYS 33 2HB CYS 33 -0.221 -2.832 4.290
247 HB3 CYS 33 1HB CYS 33 0.349 -1.581 3.194
248 H ASN 34 H ASN 34 3.381 -2.078 2.107
249 HA ASN 34 HA ASN 34 4.346 -0.628 4.484
250 HB2 ASN 34 2HB ASN 34 6.041 -1.438 2.116
251 HB3 ASN 34 1HB ASN 34 6.581 -0.819 3.666
252 HD21 ASN 34 1HD2 ASN 34 5.538 -3.563 1.887
253 HD22 ASN 34 2HD2 ASN 34 5.869 -4.771 3.071
254 H CYS 35 H CYS 35 4.889 1.546 4.040
255 HA CYS 35 HA CYS 35 4.078 2.528 1.399
256 HB2 CYS 35 2HB CYS 35 4.027 3.949 4.072
257 HB3 CYS 35 1HB CYS 35 3.476 4.606 2.540
258 H ARG 36 H ARG 36 5.707 3.407 0.209
259 HA ARG 36 HA ARG 36 7.739 5.090 1.110
260 HB2 ARG 36 2HB ARG 36 8.534 3.049 2.334
261 HB3 ARG 36 1HB ARG 36 8.690 2.246 0.783
262 HG2 ARG 36 2HG ARG 36 10.375 3.892 0.129
263 HG3 ARG 36 1HG ARG 36 10.267 4.608 1.747
264 HD2 ARG 36 2HD ARG 36 10.810 2.366 2.703
265 HD3 ARG 36 1HD ARG 36 11.032 1.787 1.057
266 HE ARG 36 HE ARG 36 12.646 4.007 1.431
267 HH11 ARG 36 1HH1 ARG 36 12.446 0.628 2.466
268 HH12 ARG 36 2HH1 ARG 36 14.096 0.471 2.823
269 HH21 ARG 36 1HH2 ARG 36 14.916 3.816 1.973
270 HH22 ARG 36 2HH2 ARG 36 15.536 2.329 2.549
271 H ARG 37 H ARG 37 7.261 2.295 -1.056
272 HA ARG 37 HA ARG 37 9.000 3.333 -3.045
273 HB2 ARG 37 2HB ARG 37 7.093 1.010 -3.202
274 HB3 ARG 37 1HB ARG 37 8.382 1.365 -4.339
275 HG2 ARG 37 2HG ARG 37 8.665 0.579 -1.458
276 HG3 ARG 37 1HG ARG 37 9.026 -0.435 -2.855
277 HD2 ARG 37 2HD ARG 37 10.482 2.074 -1.986
278 HD3 ARG 37 1HD ARG 37 11.071 0.416 -1.901
279 HE ARG 37 HE ARG 37 10.471 0.840 -4.526
280 HH11 ARG 37 1HH1 ARG 37 12.799 2.104 -2.175
281 HH12 ARG 37 2HH1 ARG 37 13.832 2.788 -3.335
282 HH21 ARG 37 1HH2 ARG 37 11.926 1.768 -6.154
283 HH22 ARG 37 2HH2 ARG 37 13.319 2.596 -5.638
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -10.076 -1.866 5.328
2 H2 GLY 1 2HT GLY 1 -9.421 -0.345 5.077
3 H3 GLY 1 3HT GLY 1 -10.229 -0.694 6.538
4 HA2 GLY 1 1HA GLY 1 -7.846 -0.703 6.844
5 HA3 GLY 1 2HA GLY 1 -8.539 -2.306 7.087
6 H ILE 2 H ILE 2 -5.819 -1.674 6.353
7 HA ILE 2 HA ILE 2 -5.561 -2.133 3.569
8 HB ILE 2 HB ILE 2 -3.103 -2.368 4.153
9 HG12 ILE 2 2HG1 ILE 2 -4.142 -1.579 6.892
10 HG13 ILE 2 1HG1 ILE 2 -3.296 -3.064 6.486
11 HG21 ILE 2 1HG2 ILE 2 -4.551 0.155 4.932
12 HG22 ILE 2 2HG2 ILE 2 -4.042 -0.313 3.310
13 HG23 ILE 2 3HG2 ILE 2 -2.833 0.046 4.544
14 HD11 ILE 2 1HD1 ILE 2 -1.865 -1.511 7.666
15 HD12 ILE 2 2HD1 ILE 2 -2.166 -0.284 6.433
16 HD13 ILE 2 3HD1 ILE 2 -1.281 -1.748 6.017
17 H THR 3 H THR 3 -5.554 -3.954 2.554
18 HA THR 3 HA THR 3 -5.057 -6.489 3.929
19 HB THR 3 HB THR 3 -7.413 -5.964 2.093
20 HG1 THR 3 1HG THR 3 -7.108 -5.257 4.628
21 HG21 THR 3 1HG2 THR 3 -6.790 -8.262 3.968
22 HG22 THR 3 2HG2 THR 3 -6.645 -8.304 2.212
23 HG23 THR 3 3HG2 THR 3 -8.232 -8.121 2.962
24 H CYS 4 H CYS 4 -3.898 -7.841 2.530
25 HA CYS 4 HA CYS 4 -3.405 -6.732 -0.109
26 HB2 CYS 4 2HB CYS 4 -1.772 -8.723 1.439
27 HB3 CYS 4 1HB CYS 4 -1.369 -8.039 -0.142
28 H ASP 5 H ASP 5 -4.585 -7.533 -1.631
29 HA ASP 5 HA ASP 5 -5.088 -10.396 -1.709
30 HB2 ASP 5 2HB ASP 5 -7.045 -9.099 -2.185
31 HB3 ASP 5 1HB ASP 5 -6.148 -8.019 -3.235
32 H LEU 6 H LEU 6 -3.759 -7.703 -3.577
33 HA LEU 6 HA LEU 6 -2.161 -9.614 -5.062
34 HB2 LEU 6 2HB LEU 6 -2.881 -6.746 -5.650
35 HB3 LEU 6 1HB LEU 6 -1.799 -7.705 -6.627
36 HG LEU 6 HG LEU 6 -4.726 -8.292 -6.186
37 HD11 LEU 6 1HD1 LEU 6 -4.974 -7.627 -8.526
38 HD12 LEU 6 2HD1 LEU 6 -3.269 -7.172 -8.564
39 HD13 LEU 6 3HD1 LEU 6 -4.390 -6.300 -7.522
40 HD21 LEU 6 1HD2 LEU 6 -2.702 -9.615 -7.999
41 HD22 LEU 6 2HD2 LEU 6 -4.430 -9.936 -7.987
42 HD23 LEU 6 3HD2 LEU 6 -3.456 -10.334 -6.575
43 H ILE 7 H ILE 7 -0.093 -8.898 -5.516
44 HA ILE 7 HA ILE 7 1.286 -7.588 -3.282
45 HB ILE 7 HB ILE 7 2.315 -9.489 -5.422
46 HG12 ILE 7 2HG1 ILE 7 1.922 -9.950 -2.460
47 HG13 ILE 7 1HG1 ILE 7 0.826 -10.509 -3.716
48 HG21 ILE 7 1HG2 ILE 7 4.411 -9.553 -4.141
49 HG22 ILE 7 2HG2 ILE 7 3.779 -8.320 -3.051
50 HG23 ILE 7 3HG2 ILE 7 4.068 -7.932 -4.746
51 HD11 ILE 7 1HD1 ILE 7 2.590 -11.906 -4.630
52 HD12 ILE 7 2HD1 ILE 7 2.278 -12.281 -2.934
53 HD13 ILE 7 3HD1 ILE 7 3.696 -11.328 -3.385
54 H GLY 8 H GLY 8 2.195 -5.669 -3.694
55 HA2 GLY 8 2HA GLY 8 3.073 -3.855 -4.849
56 HA3 GLY 8 1HA GLY 8 3.170 -4.884 -6.262
57 H ASN 9 H ASN 9 0.430 -5.486 -6.537
58 HA ASN 9 HA ASN 9 -0.410 -2.953 -7.799
59 HB2 ASN 9 2HB ASN 9 -1.204 -5.804 -8.313
60 HB3 ASN 9 1HB ASN 9 -1.931 -4.422 -9.118
61 HD21 ASN 9 1HD2 ASN 9 -0.472 -6.614 -10.261
62 HD22 ASN 9 2HD2 ASN 9 0.858 -5.929 -11.116
63 H GLU 10 H GLU 10 -0.781 -3.857 -5.061
64 HA GLU 10 HA GLU 10 -3.590 -4.296 -4.905
65 HB2 GLU 10 2HB GLU 10 -2.185 -5.615 -3.536
66 HB3 GLU 10 1HB GLU 10 -1.428 -4.229 -2.801
67 HG2 GLU 10 2HG GLU 10 -3.017 -5.327 -1.395
68 HG3 GLU 10 1HG GLU 10 -3.503 -3.655 -1.747
69 H ARG 11 H ARG 11 -4.026 -2.412 -5.872
70 HA ARG 11 HA ARG 11 -3.452 0.212 -5.133
71 HB2 ARG 11 2HB ARG 11 -5.964 -0.841 -6.413
72 HB3 ARG 11 1HB ARG 11 -5.528 0.857 -6.322
73 HG2 ARG 11 2HG ARG 11 -3.991 -1.294 -7.767
74 HG3 ARG 11 1HG ARG 11 -5.017 -0.069 -8.510
75 HD2 ARG 11 2HD ARG 11 -2.469 0.414 -6.952
76 HD3 ARG 11 1HD ARG 11 -2.682 0.570 -8.690
77 HE ARG 11 HE ARG 11 -4.543 2.258 -7.543
78 HH11 ARG 11 1HH1 ARG 11 -1.013 1.996 -7.432
79 HH12 ARG 11 2HH1 ARG 11 -0.770 3.672 -7.286
80 HH21 ARG 11 1HH2 ARG 11 -4.181 4.529 -7.363
81 HH22 ARG 11 2HH2 ARG 11 -2.590 5.144 -7.285
82 H LEU 12 H LEU 12 -5.878 -1.939 -3.832
83 HA LEU 12 HA LEU 12 -7.281 0.045 -2.377
84 HB2 LEU 12 2HB LEU 12 -7.093 -2.916 -1.860
85 HB3 LEU 12 1HB LEU 12 -8.258 -1.835 -1.122
86 HG LEU 12 HG LEU 12 -8.086 -2.527 -4.053
87 HD11 LEU 12 1HD1 LEU 12 -10.229 -3.632 -3.672
88 HD12 LEU 12 2HD1 LEU 12 -10.099 -3.270 -1.950
89 HD13 LEU 12 3HD1 LEU 12 -8.934 -4.351 -2.715
90 HD21 LEU 12 1HD2 LEU 12 -10.181 -1.275 -4.266
91 HD22 LEU 12 2HD2 LEU 12 -8.854 -0.237 -3.757
92 HD23 LEU 12 3HD2 LEU 12 -10.055 -0.776 -2.579
93 H CYS 13 H CYS 13 -4.330 -1.607 -1.835
94 HA CYS 13 HA CYS 13 -4.209 -0.744 0.917
95 HB2 CYS 13 2HB CYS 13 -3.180 -2.884 0.381
96 HB3 CYS 13 1HB CYS 13 -2.184 -2.128 -0.860
97 H VAL 14 H VAL 14 -2.654 -0.065 -2.185
98 HA VAL 14 HA VAL 14 -0.741 1.803 -1.484
99 HB VAL 14 HB VAL 14 -2.364 1.871 -4.030
100 HG11 VAL 14 1HG1 VAL 14 -0.345 2.852 -5.040
101 HG12 VAL 14 2HG1 VAL 14 0.414 2.890 -3.448
102 HG13 VAL 14 3HG1 VAL 14 -1.021 3.865 -3.765
103 HG21 VAL 14 1HG2 VAL 14 -0.625 0.446 -4.999
104 HG22 VAL 14 2HG2 VAL 14 -1.452 -0.354 -3.666
105 HG23 VAL 14 3HG2 VAL 14 0.156 0.332 -3.423
106 H VAL 15 H VAL 15 -4.162 2.407 -2.186
107 HA VAL 15 HA VAL 15 -4.187 5.164 -2.280
108 HB VAL 15 HB VAL 15 -6.143 3.774 -2.802
109 HG11 VAL 15 1HG1 VAL 15 -6.041 2.146 -1.055
110 HG12 VAL 15 2HG1 VAL 15 -7.625 2.929 -1.037
111 HG13 VAL 15 3HG1 VAL 15 -6.401 3.374 0.154
112 HG21 VAL 15 1HG2 VAL 15 -6.535 6.133 -2.416
113 HG22 VAL 15 2HG2 VAL 15 -6.727 5.844 -0.687
114 HG23 VAL 15 3HG2 VAL 15 -7.907 5.194 -1.826
115 H HIS 16 H HIS 16 -3.889 3.157 0.541
116 HA HIS 16 HA HIS 16 -4.432 5.141 2.504
117 HB2 HIS 16 2HB HIS 16 -4.620 2.866 3.187
118 HB3 HIS 16 1HB HIS 16 -3.024 2.471 2.577
119 HD1 HIS 16 1HD HIS 16 -4.634 4.436 5.450
120 HD2 HIS 16 2HD HIS 16 -1.105 2.532 4.386
121 HE1 HIS 16 1HE HIS 16 -3.166 4.479 7.505
122 H CYS 17 H CYS 17 -1.508 3.934 1.026
123 HA CYS 17 HA CYS 17 0.327 5.557 2.517
124 HB2 CYS 17 2HB CYS 17 0.654 4.298 -0.198
125 HB3 CYS 17 1HB CYS 17 1.939 4.788 0.908
126 H LEU 18 H LEU 18 -1.400 5.928 -0.497
127 HA LEU 18 HA LEU 18 -0.187 8.375 -1.252
128 HB2 LEU 18 2HB LEU 18 -2.888 7.228 -1.943
129 HB3 LEU 18 1HB LEU 18 -2.152 8.603 -2.741
130 HG LEU 18 HG LEU 18 -1.078 5.786 -2.754
131 HD11 LEU 18 1HD1 LEU 18 -2.463 7.385 -4.895
132 HD12 LEU 18 2HD1 LEU 18 -3.111 5.980 -4.050
133 HD13 LEU 18 3HD1 LEU 18 -1.723 5.802 -5.120
134 HD21 LEU 18 1HD2 LEU 18 0.714 7.436 -2.902
135 HD22 LEU 18 2HD2 LEU 18 -0.138 8.262 -4.206
136 HD23 LEU 18 3HD2 LEU 18 0.486 6.633 -4.454
137 H ALA 19 H ALA 19 -2.864 7.509 0.812
138 HA ALA 19 HA ALA 19 -3.777 10.160 1.219
139 HB1 ALA 19 1HB ALA 19 -5.217 8.218 1.619
140 HB2 ALA 19 2HB ALA 19 -5.063 9.196 3.082
141 HB3 ALA 19 3HB ALA 19 -4.148 7.699 2.917
142 H LYS 20 H LYS 20 -1.501 8.063 2.867
143 HA LYS 20 HA LYS 20 -1.016 9.831 5.039
144 HB2 LYS 20 2HB LYS 20 0.818 7.694 3.949
145 HB3 LYS 20 1HB LYS 20 0.984 8.473 5.518
146 HG2 LYS 20 2HG LYS 20 -1.221 7.497 6.142
147 HG3 LYS 20 1HG LYS 20 -1.228 6.641 4.604
148 HD2 LYS 20 2HD LYS 20 -0.420 5.079 6.170
149 HD3 LYS 20 1HD LYS 20 1.012 5.657 5.324
150 HE2 LYS 20 2HE LYS 20 1.508 5.555 7.676
151 HE3 LYS 20 1HE LYS 20 1.394 7.246 7.199
152 HZ1 LYS 20 1HZ LYS 20 -0.738 5.704 8.585
153 HZ2 LYS 20 2HZ LYS 20 -0.833 7.342 8.166
154 HZ3 LYS 20 3HZ LYS 20 0.285 6.825 9.289
155 H GLY 21 H GLY 21 0.213 9.615 1.825
156 HA2 GLY 21 2HA GLY 21 1.030 11.657 0.796
157 HA3 GLY 21 1HA GLY 21 1.751 12.084 2.343
158 H PHE 22 H PHE 22 1.924 8.884 1.175
159 HA PHE 22 HA PHE 22 4.794 9.013 1.107
160 HB2 PHE 22 2HB PHE 22 2.752 6.948 1.404
161 HB3 PHE 22 1HB PHE 22 4.144 6.351 0.543
162 HD1 PHE 22 1HD PHE 22 6.330 6.552 1.550
163 HD2 PHE 22 2HD PHE 22 2.783 7.345 3.708
164 HE1 PHE 22 1HE PHE 22 7.548 6.237 3.567
165 HE2 PHE 22 2HE PHE 22 4.000 7.037 5.822
166 HZ PHE 22 HZ PHE 22 6.404 6.481 5.777
167 H ARG 23 H ARG 23 5.990 7.948 -0.613
168 HA ARG 23 HA ARG 23 5.469 8.828 -3.216
169 HB2 ARG 23 2HB ARG 23 7.199 6.615 -2.125
170 HB3 ARG 23 1HB ARG 23 7.155 7.016 -3.832
171 HG2 ARG 23 2HG ARG 23 7.868 8.997 -1.695
172 HG3 ARG 23 1HG ARG 23 9.038 7.978 -2.546
173 HD2 ARG 23 2HD ARG 23 7.127 9.889 -3.870
174 HD3 ARG 23 1HD ARG 23 8.828 10.222 -3.536
175 HE ARG 23 HE ARG 23 9.010 7.961 -4.898
176 HH11 ARG 23 1HH1 ARG 23 7.119 10.841 -5.651
177 HH12 ARG 23 2HH1 ARG 23 7.234 10.654 -7.339
178 HH21 ARG 23 1HH2 ARG 23 9.231 7.725 -7.174
179 HH22 ARG 23 2HH2 ARG 23 8.512 8.847 -8.241
180 H GLY 24 H GLY 24 4.566 6.025 -1.458
181 HA2 GLY 24 2HA GLY 24 2.336 5.384 -2.815
182 HA3 GLY 24 1HA GLY 24 3.627 4.559 -3.693
183 H GLY 25 H GLY 25 2.190 2.790 -2.834
184 HA2 GLY 25 2HA GLY 25 3.455 1.803 -0.444
185 HA3 GLY 25 1HA GLY 25 1.691 1.897 -0.467
186 H TRP 26 H TRP 26 2.901 -0.520 -0.215
187 HA TRP 26 HA TRP 26 1.897 -1.802 -2.550
188 HB2 TRP 26 2HB TRP 26 3.897 -2.822 -3.340
189 HB3 TRP 26 1HB TRP 26 4.281 -1.116 -3.182
190 HD1 TRP 26 HD TRP 26 5.598 -4.438 -2.371
191 HE1 TRP 26 1HE TRP 26 7.535 -4.302 -0.668
192 HE3 TRP 26 3HE TRP 26 5.002 0.368 -0.805
193 HZ2 TRP 26 2HZ TRP 26 8.625 -2.485 1.079
194 HZ3 TRP 26 3HZ TRP 26 6.526 1.269 0.890
195 HH2 TRP 26 HH TRP 26 8.333 -0.140 1.832
196 H CYS 27 H CYS 27 1.488 -3.893 -2.135
197 HA CYS 27 HA CYS 27 2.006 -4.856 0.532
198 HB2 CYS 27 2HB CYS 27 0.437 -5.938 -1.791
199 HB3 CYS 27 1HB CYS 27 0.774 -6.897 -0.352
200 H ASP 28 H ASP 28 3.695 -5.928 0.943
201 HA ASP 28 HA ASP 28 5.546 -6.686 -1.138
202 HB2 ASP 28 2HB ASP 28 6.329 -5.737 1.026
203 HB3 ASP 28 1HB ASP 28 5.634 -7.120 1.858
204 H SER 29 H SER 29 6.578 -8.953 -0.526
205 HA SER 29 HA SER 29 4.739 -10.935 -1.500
206 HB2 SER 29 2HB SER 29 7.169 -10.987 -2.058
207 HB3 SER 29 1HB SER 29 7.535 -11.270 -0.362
208 HG SER 29 HG SER 29 7.220 -13.075 -2.086
209 H ARG 30 H ARG 30 6.062 -9.942 1.499
210 HA ARG 30 HA ARG 30 5.207 -12.139 3.104
211 HB2 ARG 30 2HB ARG 30 6.201 -9.361 3.712
212 HB3 ARG 30 1HB ARG 30 5.839 -10.551 4.958
213 HG2 ARG 30 2HG ARG 30 7.577 -11.955 4.296
214 HG3 ARG 30 1HG ARG 30 7.733 -11.173 2.724
215 HD2 ARG 30 2HD ARG 30 8.312 -9.775 5.318
216 HD3 ARG 30 1HD ARG 30 9.546 -10.658 4.414
217 HE ARG 30 HE ARG 30 8.370 -8.943 2.618
218 HH11 ARG 30 1HH1 ARG 30 10.206 -8.474 5.643
219 HH12 ARG 30 2HH1 ARG 30 10.883 -7.000 5.135
220 HH21 ARG 30 1HH2 ARG 30 9.372 -6.996 1.928
221 HH22 ARG 30 2HH2 ARG 30 10.412 -6.138 2.968
222 H LYS 31 H LYS 31 3.406 -9.976 1.499
223 HA LYS 31 HA LYS 31 1.251 -9.360 1.492
224 HB2 LYS 31 2HB LYS 31 0.908 -11.217 3.862
225 HB3 LYS 31 1HB LYS 31 -0.381 -10.581 2.855
226 HG2 LYS 31 2HG LYS 31 1.768 -12.530 2.033
227 HG3 LYS 31 1HG LYS 31 0.055 -12.871 2.260
228 HD2 LYS 31 2HD LYS 31 -0.451 -11.312 0.391
229 HD3 LYS 31 1HD LYS 31 1.282 -11.096 0.147
230 HE2 LYS 31 2HE LYS 31 -0.262 -13.678 -0.120
231 HE3 LYS 31 1HE LYS 31 0.417 -12.722 -1.430
232 HZ1 LYS 31 1HZ LYS 31 1.819 -14.599 -0.922
233 HZ2 LYS 31 2HZ LYS 31 1.961 -14.140 0.680
234 HZ3 LYS 31 3HZ LYS 31 2.666 -13.207 -0.515
235 H VAL 32 H VAL 32 3.208 -8.002 3.089
236 HA VAL 32 HA VAL 32 1.585 -6.768 5.194
237 HB VAL 32 HB VAL 32 4.516 -6.344 4.554
238 HG11 VAL 32 1HG1 VAL 32 4.655 -5.352 6.796
239 HG12 VAL 32 2HG1 VAL 32 2.916 -5.559 6.990
240 HG13 VAL 32 3HG1 VAL 32 3.540 -4.473 5.751
241 HG21 VAL 32 1HG2 VAL 32 5.017 -7.761 6.490
242 HG22 VAL 32 2HG2 VAL 32 4.147 -8.650 5.239
243 HG23 VAL 32 3HG2 VAL 32 3.297 -8.099 6.680
244 H CYS 33 H CYS 33 0.746 -4.873 4.911
245 HA CYS 33 HA CYS 33 1.133 -3.406 2.491
246 HB2 CYS 33 2HB CYS 33 -0.684 -3.199 4.839
247 HB3 CYS 33 1HB CYS 33 -0.292 -1.710 3.984
248 H ASN 34 H ASN 34 2.865 -2.255 2.212
249 HA ASN 34 HA ASN 34 3.925 -0.805 4.528
250 HB2 ASN 34 2HB ASN 34 5.405 -1.960 2.168
251 HB3 ASN 34 1HB ASN 34 6.118 -0.874 3.340
252 HD21 ASN 34 1HD2 ASN 34 5.029 -4.062 2.690
253 HD22 ASN 34 2HD2 ASN 34 5.714 -4.792 4.107
254 H CYS 35 H CYS 35 4.501 1.292 4.188
255 HA CYS 35 HA CYS 35 3.776 2.437 1.572
256 HB2 CYS 35 2HB CYS 35 3.689 3.751 4.299
257 HB3 CYS 35 1HB CYS 35 3.290 4.533 2.775
258 H ARG 36 H ARG 36 5.440 3.245 0.429
259 HA ARG 36 HA ARG 36 7.459 4.895 1.281
260 HB2 ARG 36 2HB ARG 36 8.191 2.926 2.662
261 HB3 ARG 36 1HB ARG 36 8.463 2.048 1.167
262 HG2 ARG 36 2HG ARG 36 10.155 3.654 0.523
263 HG3 ARG 36 1HG ARG 36 9.867 4.557 2.016
264 HD2 ARG 36 2HD ARG 36 10.447 2.544 3.310
265 HD3 ARG 36 1HD ARG 36 10.812 1.712 1.802
266 HE ARG 36 HE ARG 36 12.276 4.081 1.942
267 HH11 ARG 36 1HH1 ARG 36 12.117 0.898 3.478
268 HH12 ARG 36 2HH1 ARG 36 13.774 0.824 3.848
269 HH21 ARG 36 1HH2 ARG 36 14.585 3.970 2.461
270 HH22 ARG 36 2HH2 ARG 36 15.196 2.600 3.268
271 H ARG 37 H ARG 37 6.735 2.113 -0.791
272 HA ARG 37 HA ARG 37 8.523 3.027 -2.872
273 HB2 ARG 37 2HB ARG 37 6.695 0.633 -2.740
274 HB3 ARG 37 1HB ARG 37 7.849 0.970 -4.022
275 HG2 ARG 37 2HG ARG 37 8.556 0.546 -1.148
276 HG3 ARG 37 1HG ARG 37 8.606 -0.716 -2.376
277 HD2 ARG 37 2HD ARG 37 10.193 1.835 -2.332
278 HD3 ARG 37 1HD ARG 37 10.796 0.198 -2.019
279 HE ARG 37 HE ARG 37 9.929 -0.237 -4.375
280 HH11 ARG 37 1HH1 ARG 37 11.510 2.752 -3.345
281 HH12 ARG 37 2HH1 ARG 37 12.063 3.168 -4.904
282 HH21 ARG 37 1HH2 ARG 37 10.733 0.332 -6.534
283 HH22 ARG 37 2HH2 ARG 37 11.611 1.777 -6.731
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -9.436 0.058 5.531
2 H2 GLY 1 2HT GLY 1 -9.109 -1.474 4.866
3 H3 GLY 1 3HT GLY 1 -8.852 -0.090 3.950
4 HA2 GLY 1 1HA GLY 1 -7.098 0.608 5.387
5 HA3 GLY 1 2HA GLY 1 -7.367 -0.827 6.378
6 H ILE 2 H ILE 2 -4.965 -0.866 5.642
7 HA ILE 2 HA ILE 2 -4.638 -1.845 2.961
8 HB ILE 2 HB ILE 2 -2.226 -2.105 3.615
9 HG12 ILE 2 2HG1 ILE 2 -3.173 -0.706 6.134
10 HG13 ILE 2 1HG1 ILE 2 -2.435 -2.296 6.033
11 HG21 ILE 2 1HG2 ILE 2 -1.794 0.310 3.542
12 HG22 ILE 2 2HG2 ILE 2 -3.514 0.595 3.823
13 HG23 ILE 2 3HG2 ILE 2 -2.980 -0.232 2.358
14 HD11 ILE 2 1HD1 ILE 2 -0.871 -0.634 6.844
15 HD12 ILE 2 2HD1 ILE 2 -1.132 0.316 5.375
16 HD13 ILE 2 3HD1 ILE 2 -0.358 -1.266 5.272
17 H THR 3 H THR 3 -4.920 -3.759 2.395
18 HA THR 3 HA THR 3 -4.110 -6.044 4.004
19 HB THR 3 HB THR 3 -6.843 -5.759 2.710
20 HG1 THR 3 1HG THR 3 -6.047 -4.801 4.999
21 HG21 THR 3 1HG2 THR 3 -7.372 -7.880 3.860
22 HG22 THR 3 2HG2 THR 3 -5.725 -7.946 4.486
23 HG23 THR 3 3HG2 THR 3 -6.016 -8.073 2.749
24 H CYS 4 H CYS 4 -3.506 -7.802 2.543
25 HA CYS 4 HA CYS 4 -3.291 -6.819 -0.190
26 HB2 CYS 4 2HB CYS 4 -1.596 -8.822 1.262
27 HB3 CYS 4 1HB CYS 4 -1.387 -8.346 -0.423
28 H ASP 5 H ASP 5 -5.034 -7.494 -1.220
29 HA ASP 5 HA ASP 5 -5.710 -10.342 -1.179
30 HB2 ASP 5 2HB ASP 5 -7.585 -8.738 -1.068
31 HB3 ASP 5 1HB ASP 5 -6.995 -7.955 -2.528
32 H LEU 6 H LEU 6 -4.463 -7.742 -3.117
33 HA LEU 6 HA LEU 6 -3.464 -9.670 -5.067
34 HB2 LEU 6 2HB LEU 6 -4.048 -6.715 -5.414
35 HB3 LEU 6 1HB LEU 6 -3.336 -7.742 -6.639
36 HG LEU 6 HG LEU 6 -6.137 -7.984 -5.551
37 HD11 LEU 6 1HD1 LEU 6 -5.101 -6.966 -8.191
38 HD12 LEU 6 2HD1 LEU 6 -5.843 -5.997 -6.917
39 HD13 LEU 6 3HD1 LEU 6 -6.798 -7.204 -7.778
40 HD21 LEU 6 1HD2 LEU 6 -4.733 -9.472 -7.770
41 HD22 LEU 6 2HD2 LEU 6 -6.450 -9.581 -7.389
42 HD23 LEU 6 3HD2 LEU 6 -5.255 -10.146 -6.224
43 H ILE 7 H ILE 7 -1.278 -9.436 -5.489
44 HA ILE 7 HA ILE 7 0.173 -7.872 -3.570
45 HB ILE 7 HB ILE 7 1.099 -9.973 -5.534
46 HG12 ILE 7 2HG1 ILE 7 1.674 -11.171 -3.490
47 HG13 ILE 7 1HG1 ILE 7 0.765 -10.006 -2.529
48 HG21 ILE 7 1HG2 ILE 7 2.873 -8.332 -5.201
49 HG22 ILE 7 2HG2 ILE 7 3.285 -9.854 -4.412
50 HG23 ILE 7 3HG2 ILE 7 2.712 -8.492 -3.452
51 HD11 ILE 7 1HD1 ILE 7 -1.264 -10.719 -3.820
52 HD12 ILE 7 2HD1 ILE 7 -0.561 -12.001 -2.843
53 HD13 ILE 7 3HD1 ILE 7 -0.277 -11.964 -4.586
54 H GLY 8 H GLY 8 0.703 -6.004 -4.049
55 HA2 GLY 8 2HA GLY 8 1.821 -4.227 -5.155
56 HA3 GLY 8 1HA GLY 8 2.091 -5.308 -6.509
57 H ASN 9 H ASN 9 -0.597 -5.964 -6.976
58 HA ASN 9 HA ASN 9 -1.484 -3.651 -8.520
59 HB2 ASN 9 2HB ASN 9 -2.615 -6.445 -8.237
60 HB3 ASN 9 1HB ASN 9 -3.277 -5.221 -9.302
61 HD21 ASN 9 1HD2 ASN 9 -2.965 -6.505 -11.069
62 HD22 ASN 9 2HD2 ASN 9 -1.404 -6.821 -11.725
63 H GLU 10 H GLU 10 -1.666 -4.305 -5.564
64 HA GLU 10 HA GLU 10 -4.434 -4.236 -4.919
65 HB2 GLU 10 2HB GLU 10 -2.930 -5.643 -3.751
66 HB3 GLU 10 1HB GLU 10 -1.867 -4.341 -3.325
67 HG2 GLU 10 2HG GLU 10 -3.130 -5.088 -1.477
68 HG3 GLU 10 1HG GLU 10 -3.612 -3.444 -1.909
69 H ARG 11 H ARG 11 -4.620 -2.244 -6.097
70 HA ARG 11 HA ARG 11 -3.482 0.212 -5.402
71 HB2 ARG 11 2HB ARG 11 -6.194 -0.288 -6.584
72 HB3 ARG 11 1HB ARG 11 -5.410 1.281 -6.511
73 HG2 ARG 11 2HG ARG 11 -3.544 0.275 -7.876
74 HG3 ARG 11 1HG ARG 11 -4.589 -1.131 -8.108
75 HD2 ARG 11 2HD ARG 11 -4.820 0.398 -9.983
76 HD3 ARG 11 1HD ARG 11 -6.321 0.343 -9.050
77 HE ARG 11 HE ARG 11 -4.458 2.415 -8.316
78 HH11 ARG 11 1HH1 ARG 11 -7.338 1.644 -10.223
79 HH12 ARG 11 2HH1 ARG 11 -7.833 3.264 -10.378
80 HH21 ARG 11 1HH2 ARG 11 -5.127 4.615 -8.534
81 HH22 ARG 11 2HH2 ARG 11 -6.553 5.001 -9.390
82 H LEU 12 H LEU 12 -6.174 -1.475 -3.971
83 HA LEU 12 HA LEU 12 -7.174 0.670 -2.432
84 HB2 LEU 12 2HB LEU 12 -7.325 -2.300 -1.944
85 HB3 LEU 12 1HB LEU 12 -8.226 -1.103 -1.036
86 HG LEU 12 HG LEU 12 -8.529 -1.620 -3.997
87 HD11 LEU 12 1HD1 LEU 12 -9.321 -3.489 -2.655
88 HD12 LEU 12 2HD1 LEU 12 -10.663 -2.616 -3.394
89 HD13 LEU 12 3HD1 LEU 12 -10.296 -2.385 -1.683
90 HD21 LEU 12 1HD2 LEU 12 -9.056 0.690 -3.401
91 HD22 LEU 12 2HD2 LEU 12 -10.110 0.126 -2.106
92 HD23 LEU 12 3HD2 LEU 12 -10.527 -0.204 -3.786
93 H CYS 13 H CYS 13 -4.369 -1.253 -2.105
94 HA CYS 13 HA CYS 13 -3.997 -0.561 0.665
95 HB2 CYS 13 2HB CYS 13 -3.125 -2.701 0.011
96 HB3 CYS 13 1HB CYS 13 -2.296 -1.999 -1.379
97 H VAL 14 H VAL 14 -2.578 0.131 -2.478
98 HA VAL 14 HA VAL 14 -0.579 1.927 -1.773
99 HB VAL 14 HB VAL 14 -2.228 2.133 -4.284
100 HG11 VAL 14 1HG1 VAL 14 -0.127 2.918 -5.315
101 HG12 VAL 14 2HG1 VAL 14 0.650 2.842 -3.735
102 HG13 VAL 14 3HG1 VAL 14 -0.681 3.966 -4.009
103 HG21 VAL 14 1HG2 VAL 14 -1.582 -0.192 -4.017
104 HG22 VAL 14 2HG2 VAL 14 0.095 0.278 -3.745
105 HG23 VAL 14 3HG2 VAL 14 -0.651 0.538 -5.322
106 H VAL 15 H VAL 15 -3.998 2.541 -2.426
107 HA VAL 15 HA VAL 15 -3.867 5.335 -2.470
108 HB VAL 15 HB VAL 15 -5.770 3.971 -3.304
109 HG11 VAL 15 1HG1 VAL 15 -6.066 2.435 -1.497
110 HG12 VAL 15 2HG1 VAL 15 -7.571 3.310 -1.795
111 HG13 VAL 15 3HG1 VAL 15 -6.549 3.744 -0.421
112 HG21 VAL 15 1HG2 VAL 15 -6.479 6.196 -1.411
113 HG22 VAL 15 2HG2 VAL 15 -7.546 5.570 -2.667
114 HG23 VAL 15 3HG2 VAL 15 -6.030 6.361 -3.109
115 H HIS 16 H HIS 16 -3.906 3.153 0.237
116 HA HIS 16 HA HIS 16 -4.697 5.086 2.203
117 HB2 HIS 16 2HB HIS 16 -4.899 2.652 2.672
118 HB3 HIS 16 1HB HIS 16 -3.170 2.482 2.470
119 HD1 HIS 16 1HD HIS 16 -5.605 4.219 4.869
120 HD2 HIS 16 2HD HIS 16 -1.762 2.643 4.725
121 HE1 HIS 16 1HE HIS 16 -4.744 4.303 7.215
122 H CYS 17 H CYS 17 -1.695 3.889 0.933
123 HA CYS 17 HA CYS 17 0.096 5.373 2.562
124 HB2 CYS 17 2HB CYS 17 0.496 4.458 -0.276
125 HB3 CYS 17 1HB CYS 17 1.721 4.706 0.964
126 H LEU 18 H LEU 18 -1.397 5.946 -0.579
127 HA LEU 18 HA LEU 18 -0.147 8.429 -1.116
128 HB2 LEU 18 2HB LEU 18 -2.844 7.461 -2.070
129 HB3 LEU 18 1HB LEU 18 -1.917 8.769 -2.768
130 HG LEU 18 HG LEU 18 -1.157 5.849 -2.786
131 HD11 LEU 18 1HD1 LEU 18 -3.011 6.339 -4.270
132 HD12 LEU 18 2HD1 LEU 18 -1.549 5.997 -5.193
133 HD13 LEU 18 3HD1 LEU 18 -2.100 7.660 -4.998
134 HD21 LEU 18 1HD2 LEU 18 0.221 8.223 -4.045
135 HD22 LEU 18 2HD2 LEU 18 0.656 6.534 -4.293
136 HD23 LEU 18 3HD2 LEU 18 0.832 7.261 -2.697
137 H ALA 19 H ALA 19 -3.039 7.563 0.670
138 HA ALA 19 HA ALA 19 -4.053 10.182 1.037
139 HB1 ALA 19 1HB ALA 19 -5.349 9.182 2.882
140 HB2 ALA 19 2HB ALA 19 -4.399 7.703 2.726
141 HB3 ALA 19 3HB ALA 19 -5.441 8.229 1.403
142 H LYS 20 H LYS 20 -1.950 8.111 2.982
143 HA LYS 20 HA LYS 20 -1.559 10.059 5.011
144 HB2 LYS 20 2HB LYS 20 -0.052 7.553 4.332
145 HB3 LYS 20 1HB LYS 20 0.452 8.615 5.642
146 HG2 LYS 20 2HG LYS 20 -1.740 8.306 6.705
147 HG3 LYS 20 1HG LYS 20 -2.205 7.211 5.406
148 HD2 LYS 20 2HD LYS 20 -0.491 5.662 6.013
149 HD3 LYS 20 1HD LYS 20 0.183 6.791 7.192
150 HE2 LYS 20 2HE LYS 20 -1.863 6.668 8.500
151 HE3 LYS 20 1HE LYS 20 -2.580 5.602 7.297
152 HZ1 LYS 20 1HZ LYS 20 -0.184 4.983 8.914
153 HZ2 LYS 20 2HZ LYS 20 -0.925 3.941 7.808
154 HZ3 LYS 20 3HZ LYS 20 -1.731 4.395 9.206
155 H GLY 21 H GLY 21 -0.161 9.667 1.928
156 HA2 GLY 21 2HA GLY 21 0.716 11.786 1.037
157 HA3 GLY 21 1HA GLY 21 1.522 12.014 2.583
158 H PHE 22 H PHE 22 1.594 8.866 1.623
159 HA PHE 22 HA PHE 22 4.409 8.887 1.157
160 HB2 PHE 22 2HB PHE 22 2.273 6.814 1.180
161 HB3 PHE 22 1HB PHE 22 3.858 6.364 0.606
162 HD1 PHE 22 1HD PHE 22 1.763 6.908 3.432
163 HD2 PHE 22 2HD PHE 22 5.775 6.718 2.102
164 HE1 PHE 22 1HE PHE 22 2.507 6.489 5.733
165 HE2 PHE 22 2HE PHE 22 6.541 6.308 4.290
166 HZ PHE 22 HZ PHE 22 4.914 6.180 6.202
167 H ARG 23 H ARG 23 5.403 8.027 -0.696
168 HA ARG 23 HA ARG 23 4.286 8.901 -3.182
169 HB2 ARG 23 2HB ARG 23 6.755 8.875 -2.754
170 HB3 ARG 23 1HB ARG 23 6.690 7.119 -2.673
171 HG2 ARG 23 2HG ARG 23 5.751 7.187 -5.030
172 HG3 ARG 23 1HG ARG 23 6.236 8.882 -5.059
173 HD2 ARG 23 2HD ARG 23 8.041 6.527 -4.561
174 HD3 ARG 23 1HD ARG 23 7.929 7.433 -6.067
175 HE ARG 23 HE ARG 23 8.549 9.350 -4.359
176 HH11 ARG 23 1HH1 ARG 23 9.889 6.108 -4.637
177 HH12 ARG 23 2HH1 ARG 23 11.480 6.524 -4.210
178 HH21 ARG 23 1HH2 ARG 23 10.729 9.977 -3.727
179 HH22 ARG 23 2HH2 ARG 23 11.969 8.811 -3.699
180 H GLY 24 H GLY 24 4.388 6.007 -1.240
181 HA2 GLY 24 2HA GLY 24 2.213 4.882 -2.407
182 HA3 GLY 24 1HA GLY 24 3.548 4.350 -3.406
183 H GLY 25 H GLY 25 2.139 2.518 -2.423
184 HA2 GLY 25 2HA GLY 25 3.636 1.358 -0.246
185 HA3 GLY 25 1HA GLY 25 1.874 1.489 -0.163
186 H TRP 26 H TRP 26 3.424 -0.910 -0.220
187 HA TRP 26 HA TRP 26 2.209 -2.207 -2.508
188 HB2 TRP 26 2HB TRP 26 4.263 -3.134 -3.378
189 HB3 TRP 26 1HB TRP 26 4.450 -1.389 -3.320
190 HD1 TRP 26 HD TRP 26 6.177 -4.505 -2.336
191 HE1 TRP 26 1HE TRP 26 8.184 -3.999 -0.780
192 HE3 TRP 26 3HE TRP 26 5.139 0.334 -1.180
193 HZ2 TRP 26 2HZ TRP 26 9.155 -1.852 0.742
194 HZ3 TRP 26 3HZ TRP 26 6.621 1.543 0.339
195 HH2 TRP 26 HH TRP 26 8.605 0.466 1.272
196 H CYS 27 H CYS 27 2.089 -4.418 -2.197
197 HA CYS 27 HA CYS 27 2.509 -5.394 0.479
198 HB2 CYS 27 2HB CYS 27 1.525 -6.754 -2.026
199 HB3 CYS 27 1HB CYS 27 1.495 -7.442 -0.403
200 H ASP 28 H ASP 28 4.371 -6.274 1.062
201 HA ASP 28 HA ASP 28 6.287 -7.013 -0.991
202 HB2 ASP 28 2HB ASP 28 7.942 -7.204 0.752
203 HB3 ASP 28 1HB ASP 28 7.015 -5.752 1.074
204 H SER 29 H SER 29 7.654 -9.150 0.103
205 HA SER 29 HA SER 29 6.180 -11.283 -0.883
206 HB2 SER 29 2HB SER 29 8.142 -12.588 0.182
207 HB3 SER 29 1HB SER 29 8.502 -11.411 -1.084
208 HG SER 29 HG SER 29 9.877 -10.765 0.438
209 H ARG 30 H ARG 30 6.326 -9.988 2.323
210 HA ARG 30 HA ARG 30 5.295 -12.387 3.619
211 HB2 ARG 30 2HB ARG 30 5.674 -9.595 4.669
212 HB3 ARG 30 1HB ARG 30 5.329 -11.023 5.628
213 HG2 ARG 30 2HG ARG 30 7.473 -11.911 5.255
214 HG3 ARG 30 1HG ARG 30 7.793 -10.775 3.935
215 HD2 ARG 30 2HD ARG 30 7.445 -10.079 6.850
216 HD3 ARG 30 1HD ARG 30 8.955 -10.050 5.928
217 HE ARG 30 HE ARG 30 7.280 -8.480 4.501
218 HH11 ARG 30 1HH1 ARG 30 8.619 -8.350 7.771
219 HH12 ARG 30 2HH1 ARG 30 8.302 -6.689 7.985
220 HH21 ARG 30 1HH2 ARG 30 6.859 -6.274 4.760
221 HH22 ARG 30 2HH2 ARG 30 7.294 -5.424 6.189
222 H LYS 31 H LYS 31 3.897 -10.240 1.629
223 HA LYS 31 HA LYS 31 1.773 -9.601 1.133
224 HB2 LYS 31 2HB LYS 31 0.926 -11.399 3.428
225 HB3 LYS 31 1HB LYS 31 -0.156 -10.698 2.241
226 HG2 LYS 31 2HG LYS 31 2.013 -12.717 1.689
227 HG3 LYS 31 1HG LYS 31 0.286 -13.053 1.785
228 HD2 LYS 31 2HD LYS 31 -0.061 -11.506 -0.127
229 HD3 LYS 31 1HD LYS 31 1.688 -11.321 -0.243
230 HE2 LYS 31 2HE LYS 31 0.935 -12.974 -1.850
231 HE3 LYS 31 1HE LYS 31 1.917 -13.731 -0.608
232 HZ1 LYS 31 1HZ LYS 31 -0.083 -14.551 0.464
233 HZ2 LYS 31 2HZ LYS 31 -0.077 -15.025 -1.142
234 HZ3 LYS 31 3HZ LYS 31 -1.060 -13.762 -0.657
235 H VAL 32 H VAL 32 3.424 -8.222 3.084
236 HA VAL 32 HA VAL 32 1.407 -6.884 4.751
237 HB VAL 32 HB VAL 32 4.439 -6.676 4.823
238 HG11 VAL 32 1HG1 VAL 32 4.122 -5.520 6.966
239 HG12 VAL 32 2HG1 VAL 32 2.374 -5.594 6.741
240 HG13 VAL 32 3HG1 VAL 32 3.364 -4.644 5.635
241 HG21 VAL 32 1HG2 VAL 32 2.579 -8.137 6.690
242 HG22 VAL 32 2HG2 VAL 32 4.325 -7.962 6.888
243 HG23 VAL 32 3HG2 VAL 32 3.677 -8.881 5.528
244 H CYS 33 H CYS 33 0.760 -4.926 4.312
245 HA CYS 33 HA CYS 33 1.690 -3.576 1.982
246 HB2 CYS 33 2HB CYS 33 -0.352 -3.060 4.073
247 HB3 CYS 33 1HB CYS 33 0.196 -1.743 3.057
248 H ASN 34 H ASN 34 3.404 -2.392 1.962
249 HA ASN 34 HA ASN 34 4.212 -0.976 4.421
250 HB2 ASN 34 2HB ASN 34 5.969 -1.668 2.050
251 HB3 ASN 34 1HB ASN 34 6.482 -0.996 3.589
252 HD21 ASN 34 1HD2 ASN 34 5.501 -3.781 1.876
253 HD22 ASN 34 2HD2 ASN 34 5.909 -4.968 3.056
254 H CYS 35 H CYS 35 4.169 1.170 4.201
255 HA CYS 35 HA CYS 35 4.087 2.350 1.470
256 HB2 CYS 35 2HB CYS 35 3.218 3.639 4.062
257 HB3 CYS 35 1HB CYS 35 2.900 4.205 2.435
258 H ARG 36 H ARG 36 5.872 3.440 0.970
259 HA ARG 36 HA ARG 36 7.464 4.879 2.776
260 HB2 ARG 36 2HB ARG 36 7.718 2.651 3.874
261 HB3 ARG 36 1HB ARG 36 8.525 2.077 2.429
262 HG2 ARG 36 2HG ARG 36 10.278 3.713 2.768
263 HG3 ARG 36 1HG ARG 36 9.459 4.275 4.234
264 HD2 ARG 36 2HD ARG 36 9.604 1.985 5.147
265 HD3 ARG 36 1HD ARG 36 10.509 1.506 3.717
266 HE ARG 36 HE ARG 36 11.824 3.650 4.819
267 HH11 ARG 36 1HH1 ARG 36 11.042 0.310 5.682
268 HH12 ARG 36 2HH1 ARG 36 12.337 0.123 6.768
269 HH21 ARG 36 1HH2 ARG 36 13.624 3.400 6.323
270 HH22 ARG 36 2HH2 ARG 36 13.819 1.936 7.158
271 H ARG 37 H ARG 37 7.193 3.103 -0.227
272 HA ARG 37 HA ARG 37 9.755 4.179 -0.940
273 HB2 ARG 37 2HB ARG 37 9.973 2.467 -2.664
274 HB3 ARG 37 1HB ARG 37 9.332 1.753 -1.190
275 HG2 ARG 37 2HG ARG 37 7.253 1.421 -2.046
276 HG3 ARG 37 1HG ARG 37 7.549 2.468 -3.449
277 HD2 ARG 37 2HD ARG 37 8.948 -0.141 -2.852
278 HD3 ARG 37 1HD ARG 37 7.674 0.080 -4.052
279 HE ARG 37 HE ARG 37 9.654 1.928 -4.606
280 HH11 ARG 37 1HH1 ARG 37 9.401 -1.622 -4.591
281 HH12 ARG 37 2HH1 ARG 37 10.539 -1.847 -5.815
282 HH21 ARG 37 1HH2 ARG 37 11.224 1.599 -6.285
283 HH22 ARG 37 2HH2 ARG 37 11.621 0.039 -6.800
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -6.602 -3.652 9.232
2 H2 GLY 1 2HT GLY 1 -6.712 -2.357 10.286
3 H3 GLY 1 3HT GLY 1 -5.459 -2.420 9.166
4 HA2 GLY 1 1HA GLY 1 -8.336 -2.123 8.560
5 HA3 GLY 1 2HA GLY 1 -7.111 -0.858 8.430
6 H ILE 2 H ILE 2 -5.176 -1.537 7.014
7 HA ILE 2 HA ILE 2 -6.327 -2.122 4.494
8 HB ILE 2 HB ILE 2 -3.900 -1.958 3.677
9 HG12 ILE 2 2HG1 ILE 2 -3.541 -1.085 6.559
10 HG13 ILE 2 1HG1 ILE 2 -2.689 -2.368 5.717
11 HG21 ILE 2 1HG2 ILE 2 -5.474 -0.198 3.330
12 HG22 ILE 2 2HG2 ILE 2 -3.927 0.498 3.821
13 HG23 ILE 2 3HG2 ILE 2 -5.255 0.384 4.980
14 HD11 ILE 2 1HD1 ILE 2 -1.616 -0.663 4.299
15 HD12 ILE 2 2HD1 ILE 2 -1.251 -0.462 6.010
16 HD13 ILE 2 3HD1 ILE 2 -2.432 0.592 5.230
17 H THR 3 H THR 3 -5.824 -3.750 3.082
18 HA THR 3 HA THR 3 -4.782 -6.234 4.256
19 HB THR 3 HB THR 3 -7.371 -6.058 2.700
20 HG1 THR 3 1HG THR 3 -6.799 -5.863 5.447
21 HG21 THR 3 1HG2 THR 3 -7.735 -8.336 3.558
22 HG22 THR 3 2HG2 THR 3 -6.193 -8.270 4.407
23 HG23 THR 3 3HG2 THR 3 -6.229 -8.245 2.645
24 H CYS 4 H CYS 4 -3.834 -7.579 2.701
25 HA CYS 4 HA CYS 4 -3.678 -6.456 0.008
26 HB2 CYS 4 2HB CYS 4 -1.808 -8.352 1.410
27 HB3 CYS 4 1HB CYS 4 -1.628 -7.779 -0.246
28 H ASP 5 H ASP 5 -4.795 -7.477 -1.493
29 HA ASP 5 HA ASP 5 -5.367 -10.304 -1.087
30 HB2 ASP 5 2HB ASP 5 -7.273 -8.838 -1.685
31 HB3 ASP 5 1HB ASP 5 -6.433 -8.368 -3.160
32 H LEU 6 H LEU 6 -4.049 -7.937 -3.341
33 HA LEU 6 HA LEU 6 -2.607 -10.081 -4.674
34 HB2 LEU 6 2HB LEU 6 -3.200 -7.253 -5.538
35 HB3 LEU 6 1HB LEU 6 -2.193 -8.373 -6.427
36 HG LEU 6 HG LEU 6 -5.145 -8.703 -5.900
37 HD11 LEU 6 1HD1 LEU 6 -4.621 -6.903 -7.480
38 HD12 LEU 6 2HD1 LEU 6 -5.392 -8.267 -8.280
39 HD13 LEU 6 3HD1 LEU 6 -3.652 -8.027 -8.433
40 HD21 LEU 6 1HD2 LEU 6 -4.023 -10.862 -6.039
41 HD22 LEU 6 2HD2 LEU 6 -3.221 -10.367 -7.527
42 HD23 LEU 6 3HD2 LEU 6 -4.970 -10.575 -7.499
43 H ILE 7 H ILE 7 -0.523 -9.354 -5.416
44 HA ILE 7 HA ILE 7 0.937 -7.832 -3.386
45 HB ILE 7 HB ILE 7 1.872 -10.121 -5.163
46 HG12 ILE 7 2HG1 ILE 7 1.454 -9.975 -2.172
47 HG13 ILE 7 1HG1 ILE 7 0.434 -10.827 -3.310
48 HG21 ILE 7 1HG2 ILE 7 3.675 -8.517 -4.833
49 HG22 ILE 7 2HG2 ILE 7 4.000 -10.003 -3.938
50 HG23 ILE 7 3HG2 ILE 7 3.424 -8.571 -3.088
51 HD11 ILE 7 1HD1 ILE 7 1.916 -12.345 -2.096
52 HD12 ILE 7 2HD1 ILE 7 3.316 -11.488 -2.753
53 HD13 ILE 7 3HD1 ILE 7 2.228 -12.359 -3.829
54 H GLY 8 H GLY 8 2.047 -6.107 -4.122
55 HA2 GLY 8 2HA GLY 8 2.983 -4.565 -5.559
56 HA3 GLY 8 1HA GLY 8 2.933 -5.785 -6.812
57 H ASN 9 H ASN 9 0.056 -6.103 -6.690
58 HA ASN 9 HA ASN 9 -0.656 -3.761 -8.346
59 HB2 ASN 9 2HB ASN 9 -1.698 -6.590 -8.292
60 HB3 ASN 9 1HB ASN 9 -2.406 -5.315 -9.271
61 HD21 ASN 9 1HD2 ASN 9 0.384 -7.413 -8.845
62 HD22 ASN 9 2HD2 ASN 9 1.055 -7.095 -10.385
63 H GLU 10 H GLU 10 -0.924 -4.342 -5.386
64 HA GLU 10 HA GLU 10 -3.780 -4.388 -5.026
65 HB2 GLU 10 2HB GLU 10 -2.377 -5.794 -3.671
66 HB3 GLU 10 1HB GLU 10 -1.492 -4.430 -3.047
67 HG2 GLU 10 2HG GLU 10 -3.048 -5.306 -1.468
68 HG3 GLU 10 1HG GLU 10 -3.502 -3.659 -1.929
69 H ARG 11 H ARG 11 -3.774 -2.346 -6.248
70 HA ARG 11 HA ARG 11 -2.790 0.081 -5.205
71 HB2 ARG 11 2HB ARG 11 -3.360 -0.240 -7.563
72 HB3 ARG 11 1HB ARG 11 -5.056 -0.328 -7.135
73 HG2 ARG 11 2HG ARG 11 -5.118 1.960 -6.492
74 HG3 ARG 11 1HG ARG 11 -3.361 2.097 -6.593
75 HD2 ARG 11 2HD ARG 11 -5.167 1.480 -8.924
76 HD3 ARG 11 1HD ARG 11 -4.544 3.085 -8.529
77 HE ARG 11 HE ARG 11 -2.291 1.802 -8.672
78 HH11 ARG 11 1HH1 ARG 11 -5.063 1.433 -10.852
79 HH12 ARG 11 2HH1 ARG 11 -4.115 1.062 -12.208
80 HH21 ARG 11 1HH2 ARG 11 -1.004 1.289 -10.544
81 HH22 ARG 11 2HH2 ARG 11 -1.771 0.977 -12.033
82 H LEU 12 H LEU 12 -5.664 -1.659 -4.546
83 HA LEU 12 HA LEU 12 -7.111 0.421 -3.301
84 HB2 LEU 12 2HB LEU 12 -7.220 -2.555 -2.845
85 HB3 LEU 12 1HB LEU 12 -8.314 -1.416 -2.088
86 HG LEU 12 HG LEU 12 -8.073 -1.864 -5.065
87 HD11 LEU 12 1HD1 LEU 12 -10.207 -2.720 -3.115
88 HD12 LEU 12 2HD1 LEU 12 -9.050 -3.781 -3.919
89 HD13 LEU 12 3HD1 LEU 12 -10.260 -2.922 -4.867
90 HD21 LEU 12 1HD2 LEU 12 -9.997 -0.203 -3.442
91 HD22 LEU 12 2HD2 LEU 12 -10.095 -0.485 -5.176
92 HD23 LEU 12 3HD2 LEU 12 -8.741 0.417 -4.514
93 H CYS 13 H CYS 13 -4.405 -1.455 -2.219
94 HA CYS 13 HA CYS 13 -4.757 -0.373 0.433
95 HB2 CYS 13 2HB CYS 13 -3.811 -2.612 0.316
96 HB3 CYS 13 1HB CYS 13 -2.500 -2.037 -0.716
97 H VAL 14 H VAL 14 -2.809 0.078 -2.423
98 HA VAL 14 HA VAL 14 -0.845 1.840 -1.558
99 HB VAL 14 HB VAL 14 -2.218 1.885 -4.256
100 HG11 VAL 14 1HG1 VAL 14 0.530 2.830 -3.457
101 HG12 VAL 14 2HG1 VAL 14 -0.833 3.847 -3.924
102 HG13 VAL 14 3HG1 VAL 14 -0.091 2.769 -5.107
103 HG21 VAL 14 1HG2 VAL 14 -1.409 -0.356 -3.687
104 HG22 VAL 14 2HG2 VAL 14 0.195 0.307 -3.378
105 HG23 VAL 14 3HG2 VAL 14 -0.480 0.354 -5.005
106 H VAL 15 H VAL 15 -4.169 2.506 -2.467
107 HA VAL 15 HA VAL 15 -4.086 5.272 -2.648
108 HB VAL 15 HB VAL 15 -6.060 3.888 -3.270
109 HG11 VAL 15 1HG1 VAL 15 -6.205 2.426 -1.384
110 HG12 VAL 15 2HG1 VAL 15 -7.733 3.291 -1.587
111 HG13 VAL 15 3HG1 VAL 15 -6.598 3.779 -0.325
112 HG21 VAL 15 1HG2 VAL 15 -6.335 6.283 -3.136
113 HG22 VAL 15 2HG2 VAL 15 -6.667 6.180 -1.408
114 HG23 VAL 15 3HG2 VAL 15 -7.804 5.489 -2.566
115 H HIS 16 H HIS 16 -4.098 3.289 0.243
116 HA HIS 16 HA HIS 16 -4.679 5.339 2.117
117 HB2 HIS 16 2HB HIS 16 -4.932 3.065 2.839
118 HB3 HIS 16 1HB HIS 16 -3.301 2.655 2.345
119 HD1 HIS 16 1HD HIS 16 -4.984 4.852 5.019
120 HD2 HIS 16 2HD HIS 16 -1.521 2.679 4.308
121 HE1 HIS 16 1HE HIS 16 -3.625 4.985 7.148
122 H CYS 17 H CYS 17 -1.725 4.069 0.781
123 HA CYS 17 HA CYS 17 0.065 5.642 2.329
124 HB2 CYS 17 2HB CYS 17 0.546 4.532 -0.437
125 HB3 CYS 17 1HB CYS 17 1.744 4.897 0.806
126 H LEU 18 H LEU 18 -1.503 6.079 -0.790
127 HA LEU 18 HA LEU 18 -0.186 8.506 -1.479
128 HB2 LEU 18 2HB LEU 18 -2.859 7.457 -2.401
129 HB3 LEU 18 1HB LEU 18 -1.927 8.717 -3.182
130 HG LEU 18 HG LEU 18 -1.110 5.823 -2.942
131 HD11 LEU 18 1HD1 LEU 18 -2.103 7.398 -5.304
132 HD12 LEU 18 2HD1 LEU 18 -2.972 6.117 -4.459
133 HD13 LEU 18 3HD1 LEU 18 -1.498 5.742 -5.351
134 HD21 LEU 18 1HD2 LEU 18 0.834 7.303 -2.979
135 HD22 LEU 18 2HD2 LEU 18 0.205 8.113 -4.414
136 HD23 LEU 18 3HD2 LEU 18 0.693 6.423 -4.500
137 H ALA 19 H ALA 19 -3.099 7.721 0.316
138 HA ALA 19 HA ALA 19 -4.081 10.366 0.550
139 HB1 ALA 19 1HB ALA 19 -4.552 7.977 2.329
140 HB2 ALA 19 2HB ALA 19 -5.492 8.393 0.895
141 HB3 ALA 19 3HB ALA 19 -5.512 9.456 2.304
142 H LYS 20 H LYS 20 -1.897 8.396 2.442
143 HA LYS 20 HA LYS 20 -1.607 10.339 4.517
144 HB2 LYS 20 2HB LYS 20 0.158 8.010 3.779
145 HB3 LYS 20 1HB LYS 20 0.430 9.034 5.180
146 HG2 LYS 20 2HG LYS 20 -1.883 8.409 5.936
147 HG3 LYS 20 1HG LYS 20 -1.889 7.215 4.643
148 HD2 LYS 20 2HD LYS 20 0.218 7.362 6.771
149 HD3 LYS 20 1HD LYS 20 -1.215 6.326 6.898
150 HE2 LYS 20 2HE LYS 20 -0.436 5.238 4.781
151 HE3 LYS 20 1HE LYS 20 1.040 6.198 4.904
152 HZ1 LYS 20 1HZ LYS 20 0.054 4.271 6.929
153 HZ2 LYS 20 2HZ LYS 20 1.458 5.191 7.069
154 HZ3 LYS 20 3HZ LYS 20 1.362 4.002 5.899
155 H GLY 21 H GLY 21 -0.092 9.803 1.482
156 HA2 GLY 21 2HA GLY 21 0.843 11.729 0.378
157 HA3 GLY 21 1HA GLY 21 1.385 12.302 1.951
158 H PHE 22 H PHE 22 1.689 9.005 1.159
159 HA PHE 22 HA PHE 22 4.561 9.148 1.267
160 HB2 PHE 22 2HB PHE 22 2.500 7.065 1.502
161 HB3 PHE 22 1HB PHE 22 3.987 6.496 0.728
162 HD1 PHE 22 1HD PHE 22 2.497 8.049 3.712
163 HD2 PHE 22 2HD PHE 22 5.910 6.129 2.036
164 HE1 PHE 22 1HE PHE 22 3.473 7.818 5.942
165 HE2 PHE 22 2HE PHE 22 6.878 5.905 4.209
166 HZ PHE 22 HZ PHE 22 5.674 6.747 6.219
167 H ARG 23 H ARG 23 5.849 7.988 -0.400
168 HA ARG 23 HA ARG 23 5.096 9.008 -2.979
169 HB2 ARG 23 2HB ARG 23 7.479 7.315 -2.166
170 HB3 ARG 23 1HB ARG 23 7.231 7.963 -3.771
171 HG2 ARG 23 2HG ARG 23 8.883 9.259 -2.592
172 HG3 ARG 23 1HG ARG 23 7.438 10.236 -2.861
173 HD2 ARG 23 2HD ARG 23 8.421 10.545 -0.609
174 HD3 ARG 23 1HD ARG 23 6.767 9.939 -0.572
175 HE ARG 23 HE ARG 23 8.556 7.771 -0.497
176 HH11 ARG 23 1HH1 ARG 23 7.420 10.418 1.575
177 HH12 ARG 23 2HH1 ARG 23 7.725 9.602 3.040
178 HH21 ARG 23 1HH2 ARG 23 8.972 6.651 1.536
179 HH22 ARG 23 2HH2 ARG 23 8.659 7.421 3.010
180 H GLY 24 H GLY 24 4.893 6.124 -1.208
181 HA2 GLY 24 2HA GLY 24 2.845 5.130 -2.710
182 HA3 GLY 24 1HA GLY 24 4.314 4.488 -3.423
183 H GLY 25 H GLY 25 2.478 2.883 -2.577
184 HA2 GLY 25 2HA GLY 25 3.654 1.565 -0.307
185 HA3 GLY 25 1HA GLY 25 1.920 1.894 -0.321
186 H TRP 26 H TRP 26 3.192 -0.651 -0.376
187 HA TRP 26 HA TRP 26 1.751 -1.756 -2.587
188 HB2 TRP 26 2HB TRP 26 3.619 -2.833 -3.717
189 HB3 TRP 26 1HB TRP 26 3.882 -1.097 -3.709
190 HD1 TRP 26 HD TRP 26 5.679 -4.232 -3.090
191 HE1 TRP 26 1HE TRP 26 7.911 -3.767 -1.804
192 HE3 TRP 26 3HE TRP 26 4.865 0.512 -1.564
193 HZ2 TRP 26 2HZ TRP 26 9.079 -1.791 -0.371
194 HZ3 TRP 26 3HZ TRP 26 6.501 1.640 -0.246
195 HH2 TRP 26 HH TRP 26 8.617 0.568 0.356
196 H CYS 27 H CYS 27 1.461 -3.906 -2.347
197 HA CYS 27 HA CYS 27 2.142 -4.991 0.224
198 HB2 CYS 27 2HB CYS 27 0.539 -6.087 -2.076
199 HB3 CYS 27 1HB CYS 27 0.769 -6.909 -0.530
200 H ASP 28 H ASP 28 3.829 -6.149 0.534
201 HA ASP 28 HA ASP 28 5.398 -6.942 -1.792
202 HB2 ASP 28 2HB ASP 28 7.305 -7.069 -0.336
203 HB3 ASP 28 1HB ASP 28 6.372 -5.715 0.220
204 H SER 29 H SER 29 6.730 -9.163 -0.971
205 HA SER 29 HA SER 29 4.969 -11.208 -1.635
206 HB2 SER 29 2HB SER 29 7.665 -11.441 -0.318
207 HB3 SER 29 1HB SER 29 6.855 -12.660 -1.308
208 HG SER 29 HG SER 29 6.927 -11.156 -3.055
209 H ARG 30 H ARG 30 5.751 -9.906 1.504
210 HA ARG 30 HA ARG 30 4.891 -12.249 2.974
211 HB2 ARG 30 2HB ARG 30 5.425 -9.435 3.898
212 HB3 ARG 30 1HB ARG 30 5.176 -10.823 4.940
213 HG2 ARG 30 2HG ARG 30 7.254 -11.770 4.314
214 HG3 ARG 30 1HG ARG 30 7.430 -10.636 2.964
215 HD2 ARG 30 2HD ARG 30 7.423 -9.948 5.898
216 HD3 ARG 30 1HD ARG 30 8.818 -9.899 4.807
217 HE ARG 30 HE ARG 30 7.079 -8.343 3.538
218 HH11 ARG 30 1HH1 ARG 30 8.235 -8.233 6.877
219 HH12 ARG 30 2HH1 ARG 30 7.891 -6.580 7.084
220 HH21 ARG 30 1HH2 ARG 30 6.550 -6.194 3.824
221 HH22 ARG 30 2HH2 ARG 30 6.893 -5.314 5.248
222 H LYS 31 H LYS 31 3.180 -10.121 1.181
223 HA LYS 31 HA LYS 31 0.994 -9.502 1.028
224 HB2 LYS 31 2HB LYS 31 0.644 -11.325 3.423
225 HB3 LYS 31 1HB LYS 31 -0.690 -10.514 2.627
226 HG2 LYS 31 2HG LYS 31 1.156 -12.449 1.243
227 HG3 LYS 31 1HG LYS 31 -0.359 -12.908 2.019
228 HD2 LYS 31 2HD LYS 31 -1.546 -11.313 0.515
229 HD3 LYS 31 1HD LYS 31 -0.015 -11.022 -0.316
230 HE2 LYS 31 2HE LYS 31 0.136 -13.337 -0.964
231 HE3 LYS 31 1HE LYS 31 -1.284 -13.737 -0.004
232 HZ1 LYS 31 1HZ LYS 31 -1.281 -12.019 -2.452
233 HZ2 LYS 31 2HZ LYS 31 -2.623 -12.393 -1.494
234 HZ3 LYS 31 3HZ LYS 31 -1.821 -13.602 -2.311
235 H VAL 32 H VAL 32 2.998 -8.150 2.706
236 HA VAL 32 HA VAL 32 1.304 -6.749 4.635
237 HB VAL 32 HB VAL 32 4.306 -6.581 4.197
238 HG11 VAL 32 1HG1 VAL 32 2.602 -5.432 6.407
239 HG12 VAL 32 2HG1 VAL 32 3.404 -4.517 5.131
240 HG13 VAL 32 3HG1 VAL 32 4.363 -5.381 6.333
241 HG21 VAL 32 1HG2 VAL 32 3.632 -8.758 5.076
242 HG22 VAL 32 2HG2 VAL 32 2.767 -7.959 6.391
243 HG23 VAL 32 3HG2 VAL 32 4.522 -7.825 6.278
244 H CYS 33 H CYS 33 0.563 -4.843 4.254
245 HA CYS 33 HA CYS 33 1.103 -3.369 1.874
246 HB2 CYS 33 2HB CYS 33 -0.512 -2.900 4.376
247 HB3 CYS 33 1HB CYS 33 -0.169 -1.591 3.258
248 H ASN 34 H ASN 34 2.933 -2.212 1.662
249 HA ASN 34 HA ASN 34 4.126 -1.070 4.111
250 HB2 ASN 34 2HB ASN 34 5.563 -1.728 1.532
251 HB3 ASN 34 1HB ASN 34 6.283 -1.188 3.037
252 HD21 ASN 34 1HD2 ASN 34 4.934 -3.788 1.293
253 HD22 ASN 34 2HD2 ASN 34 5.408 -5.069 2.351
254 H CYS 35 H CYS 35 3.542 1.068 4.080
255 HA CYS 35 HA CYS 35 3.879 2.553 1.535
256 HB2 CYS 35 2HB CYS 35 3.133 3.682 4.254
257 HB3 CYS 35 1HB CYS 35 2.924 4.438 2.686
258 H ARG 36 H ARG 36 5.893 3.267 1.180
259 HA ARG 36 HA ARG 36 7.529 4.106 3.399
260 HB2 ARG 36 2HB ARG 36 7.432 1.700 3.807
261 HB3 ARG 36 1HB ARG 36 8.169 1.407 2.239
262 HG2 ARG 36 2HG ARG 36 10.188 2.485 2.951
263 HG3 ARG 36 1HG ARG 36 9.451 2.923 4.497
264 HD2 ARG 36 2HD ARG 36 9.127 0.531 4.970
265 HD3 ARG 36 1HD ARG 36 9.984 0.132 3.481
266 HE ARG 36 HE ARG 36 11.537 1.847 5.032
267 HH11 ARG 36 1HH1 ARG 36 10.422 -1.538 5.049
268 HH12 ARG 36 2HH1 ARG 36 11.746 -2.108 5.955
269 HH21 ARG 36 1HH2 ARG 36 13.321 1.031 6.373
270 HH22 ARG 36 2HH2 ARG 36 13.376 -0.636 6.734
271 H ARG 37 H ARG 37 7.477 2.837 0.177
272 HA ARG 37 HA ARG 37 9.925 3.993 -0.592
273 HB2 ARG 37 2HB ARG 37 9.369 3.235 -2.849
274 HB3 ARG 37 1HB ARG 37 8.740 2.043 -1.722
275 HG2 ARG 37 2HG ARG 37 6.575 2.782 -1.937
276 HG3 ARG 37 1HG ARG 37 7.023 4.166 -2.955
277 HD2 ARG 37 2HD ARG 37 7.871 2.540 -4.648
278 HD3 ARG 37 1HD ARG 37 7.327 1.230 -3.600
279 HE ARG 37 HE ARG 37 5.382 3.197 -4.544
280 HH11 ARG 37 1HH1 ARG 37 6.640 -0.119 -4.750
281 HH12 ARG 37 2HH1 ARG 37 5.215 -0.744 -5.452
282 HH21 ARG 37 1HH2 ARG 37 3.416 2.284 -5.505
283 HH22 ARG 37 2HH2 ARG 37 3.370 0.636 -5.866
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -9.977 -0.714 6.405
2 H2 GLY 1 2HT GLY 1 -9.771 -1.939 5.252
3 H3 GLY 1 3HT GLY 1 -9.192 -0.399 4.936
4 HA2 GLY 1 1HA GLY 1 -7.589 -0.628 6.716
5 HA3 GLY 1 2HA GLY 1 -8.237 -2.237 7.031
6 H ILE 2 H ILE 2 -5.540 -1.439 6.222
7 HA ILE 2 HA ILE 2 -5.204 -2.115 3.516
8 HB ILE 2 HB ILE 2 -2.774 -2.465 4.233
9 HG12 ILE 2 2HG1 ILE 2 -3.883 -1.246 6.779
10 HG13 ILE 2 1HG1 ILE 2 -3.127 -2.824 6.616
11 HG21 ILE 2 1HG2 ILE 2 -2.393 -0.035 4.322
12 HG22 ILE 2 2HG2 ILE 2 -4.134 0.199 4.498
13 HG23 ILE 2 3HG2 ILE 2 -3.487 -0.541 3.040
14 HD11 ILE 2 1HD1 ILE 2 -1.640 -1.181 7.648
15 HD12 ILE 2 2HD1 ILE 2 -1.762 -0.178 6.194
16 HD13 ILE 2 3HD1 ILE 2 -1.004 -1.763 6.110
17 H THR 3 H THR 3 -5.230 -3.920 2.587
18 HA THR 3 HA THR 3 -4.510 -6.383 3.950
19 HB THR 3 HB THR 3 -7.069 -5.995 2.346
20 HG1 THR 3 1HG THR 3 -6.504 -5.681 5.000
21 HG21 THR 3 1HG2 THR 3 -6.149 -8.260 2.182
22 HG22 THR 3 2HG2 THR 3 -7.623 -8.268 3.154
23 HG23 THR 3 3HG2 THR 3 -6.045 -8.357 3.938
24 H CYS 4 H CYS 4 -3.577 -7.806 2.405
25 HA CYS 4 HA CYS 4 -3.508 -6.749 -0.317
26 HB2 CYS 4 2HB CYS 4 -1.316 -8.203 1.145
27 HB3 CYS 4 1HB CYS 4 -1.281 -7.720 -0.551
28 H ASP 5 H ASP 5 -4.668 -7.961 -1.526
29 HA ASP 5 HA ASP 5 -4.479 -10.876 -1.161
30 HB2 ASP 5 2HB ASP 5 -6.800 -9.885 -1.097
31 HB3 ASP 5 1HB ASP 5 -6.525 -9.331 -2.752
32 H LEU 6 H LEU 6 -4.069 -8.121 -3.173
33 HA LEU 6 HA LEU 6 -2.751 -9.744 -5.184
34 HB2 LEU 6 2HB LEU 6 -3.899 -6.953 -5.263
35 HB3 LEU 6 1HB LEU 6 -3.023 -7.704 -6.587
36 HG LEU 6 HG LEU 6 -5.687 -8.603 -5.480
37 HD11 LEU 6 1HD1 LEU 6 -5.000 -7.197 -8.054
38 HD12 LEU 6 2HD1 LEU 6 -5.849 -6.496 -6.677
39 HD13 LEU 6 3HD1 LEU 6 -6.595 -7.799 -7.600
40 HD21 LEU 6 1HD2 LEU 6 -4.112 -9.596 -7.860
41 HD22 LEU 6 2HD2 LEU 6 -5.749 -10.089 -7.439
42 HD23 LEU 6 3HD2 LEU 6 -4.410 -10.486 -6.364
43 H ILE 7 H ILE 7 -0.855 -8.512 -6.007
44 HA ILE 7 HA ILE 7 0.460 -6.938 -3.921
45 HB ILE 7 HB ILE 7 1.766 -9.039 -5.687
46 HG12 ILE 7 2HG1 ILE 7 1.142 -9.026 -2.730
47 HG13 ILE 7 1HG1 ILE 7 0.417 -10.050 -3.944
48 HG21 ILE 7 1HG2 ILE 7 2.929 -7.280 -3.525
49 HG22 ILE 7 2HG2 ILE 7 3.276 -7.196 -5.255
50 HG23 ILE 7 3HG2 ILE 7 3.776 -8.604 -4.319
51 HD11 ILE 7 1HD1 ILE 7 3.300 -10.128 -3.110
52 HD12 ILE 7 2HD1 ILE 7 2.550 -11.164 -4.326
53 HD13 ILE 7 3HD1 ILE 7 2.052 -11.279 -2.634
54 H GLY 8 H GLY 8 0.922 -5.008 -4.658
55 HA2 GLY 8 2HA GLY 8 1.739 -3.351 -6.091
56 HA3 GLY 8 1HA GLY 8 1.946 -4.581 -7.333
57 H ASN 9 H ASN 9 -0.629 -5.560 -7.316
58 HA ASN 9 HA ASN 9 -2.076 -3.500 -8.808
59 HB2 ASN 9 2HB ASN 9 -2.710 -6.432 -8.349
60 HB3 ASN 9 1HB ASN 9 -3.616 -5.362 -9.408
61 HD21 ASN 9 1HD2 ASN 9 -0.733 -7.280 -9.038
62 HD22 ASN 9 2HD2 ASN 9 -0.184 -7.083 -10.653
63 H GLU 10 H GLU 10 -1.691 -4.316 -5.821
64 HA GLU 10 HA GLU 10 -4.384 -4.375 -4.817
65 HB2 GLU 10 2HB GLU 10 -2.490 -5.715 -3.890
66 HB3 GLU 10 1HB GLU 10 -1.727 -4.217 -3.397
67 HG2 GLU 10 2HG GLU 10 -2.813 -5.348 -1.598
68 HG3 GLU 10 1HG GLU 10 -3.499 -3.749 -1.903
69 H ARG 11 H ARG 11 -4.662 -2.308 -5.987
70 HA ARG 11 HA ARG 11 -3.307 0.054 -5.219
71 HB2 ARG 11 2HB ARG 11 -4.559 -0.356 -7.385
72 HB3 ARG 11 1HB ARG 11 -6.035 -0.095 -6.478
73 HG2 ARG 11 2HG ARG 11 -5.390 1.899 -7.724
74 HG3 ARG 11 1HG ARG 11 -5.361 2.188 -5.983
75 HD2 ARG 11 2HD ARG 11 -3.410 3.146 -7.245
76 HD3 ARG 11 1HD ARG 11 -2.975 2.069 -5.925
77 HE ARG 11 HE ARG 11 -3.143 0.549 -8.252
78 HH11 ARG 11 1HH1 ARG 11 -1.068 3.231 -7.118
79 HH12 ARG 11 2HH1 ARG 11 0.312 2.618 -7.860
80 HH21 ARG 11 1HH2 ARG 11 -1.248 -0.233 -9.268
81 HH22 ARG 11 2HH2 ARG 11 0.221 0.609 -9.148
82 H LEU 12 H LEU 12 -5.975 -1.656 -3.895
83 HA LEU 12 HA LEU 12 -7.135 0.393 -2.336
84 HB2 LEU 12 2HB LEU 12 -7.024 -2.584 -1.878
85 HB3 LEU 12 1HB LEU 12 -8.024 -1.481 -0.956
86 HG LEU 12 HG LEU 12 -8.287 -2.038 -3.911
87 HD11 LEU 12 1HD1 LEU 12 -10.003 -2.873 -1.579
88 HD12 LEU 12 2HD1 LEU 12 -8.973 -3.931 -2.543
89 HD13 LEU 12 3HD1 LEU 12 -10.372 -3.149 -3.280
90 HD21 LEU 12 1HD2 LEU 12 -8.954 0.244 -3.370
91 HD22 LEU 12 2HD2 LEU 12 -9.971 -0.350 -2.059
92 HD23 LEU 12 3HD2 LEU 12 -10.370 -0.743 -3.730
93 H CYS 13 H CYS 13 -4.241 -1.471 -1.965
94 HA CYS 13 HA CYS 13 -3.910 -0.642 0.778
95 HB2 CYS 13 2HB CYS 13 -3.070 -2.810 0.310
96 HB3 CYS 13 1HB CYS 13 -2.207 -2.257 -1.135
97 H VAL 14 H VAL 14 -2.504 -0.025 -2.388
98 HA VAL 14 HA VAL 14 -0.470 1.758 -1.687
99 HB VAL 14 HB VAL 14 -2.094 1.886 -4.220
100 HG11 VAL 14 1HG1 VAL 14 0.766 2.660 -3.670
101 HG12 VAL 14 2HG1 VAL 14 -0.581 3.755 -3.976
102 HG13 VAL 14 3HG1 VAL 14 -0.006 2.684 -5.257
103 HG21 VAL 14 1HG2 VAL 14 -0.485 0.296 -5.202
104 HG22 VAL 14 2HG2 VAL 14 -1.411 -0.417 -3.884
105 HG23 VAL 14 3HG2 VAL 14 0.258 0.091 -3.615
106 H VAL 15 H VAL 15 -3.898 2.355 -2.262
107 HA VAL 15 HA VAL 15 -3.758 5.152 -2.382
108 HB VAL 15 HB VAL 15 -5.691 3.810 -3.158
109 HG11 VAL 15 1HG1 VAL 15 -7.429 3.125 -1.605
110 HG12 VAL 15 2HG1 VAL 15 -6.379 3.570 -0.259
111 HG13 VAL 15 3HG1 VAL 15 -5.912 2.260 -1.344
112 HG21 VAL 15 1HG2 VAL 15 -5.942 6.188 -2.904
113 HG22 VAL 15 2HG2 VAL 15 -6.365 5.991 -1.204
114 HG23 VAL 15 3HG2 VAL 15 -7.447 5.380 -2.459
115 H HIS 16 H HIS 16 -3.673 3.001 0.316
116 HA HIS 16 HA HIS 16 -4.375 4.906 2.324
117 HB2 HIS 16 2HB HIS 16 -4.544 2.549 2.851
118 HB3 HIS 16 1HB HIS 16 -2.872 2.281 2.401
119 HD1 HIS 16 1HD HIS 16 -4.825 4.158 5.111
120 HD2 HIS 16 2HD HIS 16 -1.173 2.305 4.430
121 HE1 HIS 16 1HE HIS 16 -3.619 4.138 7.325
122 H CYS 17 H CYS 17 -1.445 3.839 0.825
123 HA CYS 17 HA CYS 17 0.406 5.371 2.328
124 HB2 CYS 17 2HB CYS 17 0.603 4.442 -0.528
125 HB3 CYS 17 1HB CYS 17 1.929 4.752 0.593
126 H LEU 18 H LEU 18 -1.421 5.920 -0.633
127 HA LEU 18 HA LEU 18 -0.344 8.491 -1.187
128 HB2 LEU 18 2HB LEU 18 -3.029 7.355 -1.970
129 HB3 LEU 18 1HB LEU 18 -2.282 8.772 -2.672
130 HG LEU 18 HG LEU 18 -1.262 5.940 -2.899
131 HD11 LEU 18 1HD1 LEU 18 -3.279 6.337 -4.197
132 HD12 LEU 18 2HD1 LEU 18 -1.878 6.147 -5.247
133 HD13 LEU 18 3HD1 LEU 18 -2.535 7.755 -4.937
134 HD21 LEU 18 1HD2 LEU 18 0.359 6.874 -4.495
135 HD22 LEU 18 2HD2 LEU 18 0.583 7.538 -2.880
136 HD23 LEU 18 3HD2 LEU 18 -0.217 8.500 -4.124
137 H ALA 19 H ALA 19 -2.997 7.357 0.785
138 HA ALA 19 HA ALA 19 -4.163 9.849 1.369
139 HB1 ALA 19 1HB ALA 19 -4.140 7.347 3.054
140 HB2 ALA 19 2HB ALA 19 -5.297 7.709 1.773
141 HB3 ALA 19 3HB ALA 19 -5.245 8.710 3.225
142 H LYS 20 H LYS 20 -1.725 7.942 3.098
143 HA LYS 20 HA LYS 20 -1.356 9.855 5.159
144 HB2 LYS 20 2HB LYS 20 0.428 7.653 4.163
145 HB3 LYS 20 1HB LYS 20 0.891 8.703 5.493
146 HG2 LYS 20 2HG LYS 20 -1.113 7.938 6.725
147 HG3 LYS 20 1HG LYS 20 -1.461 6.825 5.396
148 HD2 LYS 20 2HD LYS 20 0.565 5.639 5.759
149 HD3 LYS 20 1HD LYS 20 1.140 6.838 6.930
150 HE2 LYS 20 2HE LYS 20 -0.745 6.205 8.390
151 HE3 LYS 20 1HE LYS 20 -1.209 4.978 7.212
152 HZ1 LYS 20 1HZ LYS 20 1.010 3.956 7.544
153 HZ2 LYS 20 2HZ LYS 20 0.068 3.967 8.920
154 HZ3 LYS 20 3HZ LYS 20 1.321 5.067 8.774
155 H GLY 21 H GLY 21 0.184 9.441 2.061
156 HA2 GLY 21 2HA GLY 21 0.908 11.568 1.002
157 HA3 GLY 21 1HA GLY 21 1.627 11.978 2.558
158 H PHE 22 H PHE 22 1.643 8.928 0.857
159 HA PHE 22 HA PHE 22 4.555 9.002 0.825
160 HB2 PHE 22 2HB PHE 22 2.553 6.798 0.980
161 HB3 PHE 22 1HB PHE 22 4.133 6.393 0.338
162 HD1 PHE 22 1HD PHE 22 6.099 6.783 1.662
163 HD2 PHE 22 2HD PHE 22 2.199 7.150 3.256
164 HE1 PHE 22 1HE PHE 22 7.022 6.614 3.795
165 HE2 PHE 22 2HE PHE 22 3.113 6.970 5.530
166 HZ PHE 22 HZ PHE 22 5.545 6.707 5.846
167 H ARG 23 H ARG 23 5.562 8.001 -0.993
168 HA ARG 23 HA ARG 23 4.335 8.944 -3.428
169 HB2 ARG 23 2HB ARG 23 7.025 7.609 -3.025
170 HB3 ARG 23 1HB ARG 23 6.447 8.332 -4.511
171 HG2 ARG 23 2HG ARG 23 7.078 9.761 -1.945
172 HG3 ARG 23 1HG ARG 23 7.981 9.830 -3.460
173 HD2 ARG 23 2HD ARG 23 5.895 10.753 -4.529
174 HD3 ARG 23 1HD ARG 23 5.219 10.873 -2.908
175 HE ARG 23 HE ARG 23 7.777 12.130 -3.297
176 HH11 ARG 23 1HH1 ARG 23 4.262 12.588 -3.048
177 HH12 ARG 23 2HH1 ARG 23 4.360 14.281 -2.968
178 HH21 ARG 23 1HH2 ARG 23 7.894 14.448 -3.267
179 HH22 ARG 23 2HH2 ARG 23 6.462 15.366 -3.099
180 H GLY 24 H GLY 24 4.496 6.144 -1.573
181 HA2 GLY 24 2HA GLY 24 2.647 4.826 -3.064
182 HA3 GLY 24 1HA GLY 24 4.198 4.351 -3.735
183 H GLY 25 H GLY 25 2.584 2.563 -2.785
184 HA2 GLY 25 2HA GLY 25 3.924 1.566 -0.453
185 HA3 GLY 25 1HA GLY 25 2.167 1.736 -0.420
186 H TRP 26 H TRP 26 3.567 -0.693 -0.293
187 HA TRP 26 HA TRP 26 2.407 -2.013 -2.561
188 HB2 TRP 26 2HB TRP 26 4.436 -3.007 -3.376
189 HB3 TRP 26 1HB TRP 26 4.705 -1.272 -3.331
190 HD1 TRP 26 HD TRP 26 6.287 -4.445 -2.365
191 HE1 TRP 26 1HE TRP 26 8.256 -4.054 -0.761
192 HE3 TRP 26 3HE TRP 26 5.417 0.410 -1.101
193 HZ2 TRP 26 2HZ TRP 26 9.269 -2.049 0.841
194 HZ3 TRP 26 3HZ TRP 26 6.901 1.503 0.489
195 HH2 TRP 26 HH TRP 26 8.847 0.248 1.455
196 H CYS 27 H CYS 27 2.309 -4.233 -2.190
197 HA CYS 27 HA CYS 27 2.482 -4.996 0.584
198 HB2 CYS 27 2HB CYS 27 1.557 -6.511 -1.853
199 HB3 CYS 27 1HB CYS 27 1.317 -6.981 -0.171
200 H ASP 28 H ASP 28 4.214 -6.064 1.319
201 HA ASP 28 HA ASP 28 6.122 -6.969 -0.659
202 HB2 ASP 28 2HB ASP 28 7.720 -7.325 1.130
203 HB3 ASP 28 1HB ASP 28 6.910 -5.810 1.449
204 H SER 29 H SER 29 7.184 -9.273 0.152
205 HA SER 29 HA SER 29 5.300 -11.098 -0.773
206 HB2 SER 29 2HB SER 29 7.934 -11.619 0.591
207 HB3 SER 29 1HB SER 29 7.032 -12.774 -0.397
208 HG SER 29 HG SER 29 7.123 -10.837 -1.954
209 H ARG 30 H ARG 30 5.688 -10.000 2.455
210 HA ARG 30 HA ARG 30 4.497 -12.391 3.650
211 HB2 ARG 30 2HB ARG 30 5.158 -9.702 4.842
212 HB3 ARG 30 1HB ARG 30 4.682 -11.136 5.735
213 HG2 ARG 30 2HG ARG 30 6.734 -12.215 5.265
214 HG3 ARG 30 1HG ARG 30 7.146 -11.016 4.031
215 HD2 ARG 30 2HD ARG 30 6.867 -10.496 6.985
216 HD3 ARG 30 1HD ARG 30 8.386 -10.575 6.081
217 HE ARG 30 HE ARG 30 6.876 -8.728 4.766
218 HH11 ARG 30 1HH1 ARG 30 8.203 -8.992 8.026
219 HH12 ARG 30 2HH1 ARG 30 8.166 -7.324 8.344
220 HH21 ARG 30 1HH2 ARG 30 6.810 -6.504 5.147
221 HH22 ARG 30 2HH2 ARG 30 7.385 -5.809 6.613
222 H LYS 31 H LYS 31 3.324 -10.021 1.778
223 HA LYS 31 HA LYS 31 1.301 -9.160 1.305
224 HB2 LYS 31 2HB LYS 31 0.339 -11.007 3.496
225 HB3 LYS 31 1HB LYS 31 -0.746 -10.000 2.553
226 HG2 LYS 31 2HG LYS 31 1.068 -12.119 1.412
227 HG3 LYS 31 1HG LYS 31 -0.641 -12.338 1.792
228 HD2 LYS 31 2HD LYS 31 -1.212 -10.552 0.199
229 HD3 LYS 31 1HD LYS 31 0.496 -10.377 -0.204
230 HE2 LYS 31 2HE LYS 31 -0.701 -11.723 -1.853
231 HE3 LYS 31 1HE LYS 31 0.554 -12.654 -1.050
232 HZ1 LYS 31 1HZ LYS 31 -2.364 -12.785 -0.434
233 HZ2 LYS 31 2HZ LYS 31 -1.177 -13.684 0.342
234 HZ3 LYS 31 3HZ LYS 31 -1.482 -13.919 -1.280
235 H VAL 32 H VAL 32 3.105 -8.160 3.443
236 HA VAL 32 HA VAL 32 1.313 -6.594 5.113
237 HB VAL 32 HB VAL 32 4.352 -6.647 4.942
238 HG11 VAL 32 1HG1 VAL 32 2.582 -5.297 6.982
239 HG12 VAL 32 2HG1 VAL 32 3.555 -4.485 5.759
240 HG13 VAL 32 3HG1 VAL 32 4.341 -5.397 7.049
241 HG21 VAL 32 1HG2 VAL 32 3.423 -8.736 5.793
242 HG22 VAL 32 2HG2 VAL 32 2.498 -7.845 7.001
243 HG23 VAL 32 3HG2 VAL 32 4.259 -7.853 7.070
244 H CYS 33 H CYS 33 0.746 -4.622 4.743
245 HA CYS 33 HA CYS 33 1.432 -3.323 2.293
246 HB2 CYS 33 2HB CYS 33 -0.404 -2.754 4.571
247 HB3 CYS 33 1HB CYS 33 0.053 -1.444 3.487
248 H ASN 34 H ASN 34 3.216 -2.204 2.052
249 HA ASN 34 HA ASN 34 4.256 -0.780 4.400
250 HB2 ASN 34 2HB ASN 34 5.802 -1.730 1.976
251 HB3 ASN 34 1HB ASN 34 6.466 -0.907 3.376
252 HD21 ASN 34 1HD2 ASN 34 5.292 -3.835 2.092
253 HD22 ASN 34 2HD2 ASN 34 5.781 -4.890 3.361
254 H CYS 35 H CYS 35 4.158 1.355 4.167
255 HA CYS 35 HA CYS 35 4.090 2.479 1.433
256 HB2 CYS 35 2HB CYS 35 3.253 3.825 4.015
257 HB3 CYS 35 1HB CYS 35 2.996 4.404 2.378
258 H ARG 36 H ARG 36 5.870 3.561 0.857
259 HA ARG 36 HA ARG 36 7.662 4.821 2.653
260 HB2 ARG 36 2HB ARG 36 7.750 2.481 3.510
261 HB3 ARG 36 1HB ARG 36 8.396 2.006 1.954
262 HG2 ARG 36 2HG ARG 36 10.318 3.508 2.383
263 HG3 ARG 36 1HG ARG 36 9.687 3.752 4.020
264 HD2 ARG 36 2HD ARG 36 10.534 1.146 2.763
265 HD3 ARG 36 1HD ARG 36 11.335 1.982 4.093
266 HE ARG 36 HE ARG 36 9.099 1.591 5.270
267 HH11 ARG 36 1HH1 ARG 36 10.628 -0.733 3.062
268 HH12 ARG 36 2HH1 ARG 36 9.863 -2.099 3.741
269 HH21 ARG 36 1HH2 ARG 36 8.038 -0.339 6.190
270 HH22 ARG 36 2HH2 ARG 36 8.360 -1.869 5.522
271 H ARG 37 H ARG 37 7.091 3.045 -0.347
272 HA ARG 37 HA ARG 37 9.383 4.393 -1.499
273 HB2 ARG 37 2HB ARG 37 8.326 1.628 -2.157
274 HB3 ARG 37 1HB ARG 37 9.595 2.451 -3.056
275 HG2 ARG 37 2HG ARG 37 10.866 2.535 -0.871
276 HG3 ARG 37 1HG ARG 37 9.598 1.473 -0.248
277 HD2 ARG 37 2HD ARG 37 11.524 0.148 -0.996
278 HD3 ARG 37 1HD ARG 37 10.108 -0.174 -1.998
279 HE ARG 37 HE ARG 37 11.789 1.897 -3.006
280 HH11 ARG 37 1HH1 ARG 37 11.358 -1.650 -2.973
281 HH12 ARG 37 2HH1 ARG 37 12.143 -1.880 -4.469
282 HH21 ARG 37 1HH2 ARG 37 12.908 1.513 -5.041
283 HH22 ARG 37 2HH2 ARG 37 13.048 -0.079 -5.637
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -10.533 -0.234 5.135
2 H2 GLY 1 2HT GLY 1 -10.265 -1.545 4.078
3 H3 GLY 1 3HT GLY 1 -9.648 -0.027 3.711
4 HA2 GLY 1 1HA GLY 1 -8.192 -0.112 5.609
5 HA3 GLY 1 2HA GLY 1 -8.856 -1.692 6.002
6 H ILE 2 H ILE 2 -6.103 -1.388 5.563
7 HA ILE 2 HA ILE 2 -5.431 -1.877 2.913
8 HB ILE 2 HB ILE 2 -3.250 -2.647 3.877
9 HG12 ILE 2 2HG1 ILE 2 -4.558 -1.842 6.495
10 HG13 ILE 2 1HG1 ILE 2 -4.072 -3.469 6.043
11 HG21 ILE 2 1HG2 ILE 2 -4.288 0.026 4.773
12 HG22 ILE 2 2HG2 ILE 2 -3.673 -0.358 3.170
13 HG23 ILE 2 3HG2 ILE 2 -2.594 -0.409 4.565
14 HD11 ILE 2 1HD1 ILE 2 -2.493 -2.415 7.576
15 HD12 ILE 2 2HD1 ILE 2 -2.223 -1.131 6.383
16 HD13 ILE 2 3HD1 ILE 2 -1.759 -2.791 6.016
17 H THR 3 H THR 3 -5.530 -3.560 1.783
18 HA THR 3 HA THR 3 -5.961 -6.183 2.996
19 HB THR 3 HB THR 3 -7.017 -4.940 0.474
20 HG1 THR 3 1HG THR 3 -7.971 -4.269 2.551
21 HG21 THR 3 1HG2 THR 3 -7.605 -7.656 1.686
22 HG22 THR 3 2HG2 THR 3 -6.710 -7.351 0.199
23 HG23 THR 3 3HG2 THR 3 -8.432 -6.982 0.283
24 H CYS 4 H CYS 4 -4.621 -7.756 1.951
25 HA CYS 4 HA CYS 4 -3.170 -6.730 -0.337
26 HB2 CYS 4 2HB CYS 4 -1.931 -8.496 1.771
27 HB3 CYS 4 1HB CYS 4 -1.203 -7.884 0.272
28 H ASP 5 H ASP 5 -4.681 -7.664 -1.551
29 HA ASP 5 HA ASP 5 -4.763 -10.585 -1.543
30 HB2 ASP 5 2HB ASP 5 -6.888 -9.257 -1.793
31 HB3 ASP 5 1HB ASP 5 -6.229 -8.595 -3.286
32 H LEU 6 H LEU 6 -3.676 -7.726 -3.169
33 HA LEU 6 HA LEU 6 -2.171 -9.359 -5.024
34 HB2 LEU 6 2HB LEU 6 -2.929 -6.449 -5.086
35 HB3 LEU 6 1HB LEU 6 -1.942 -7.262 -6.289
36 HG LEU 6 HG LEU 6 -4.834 -7.856 -5.686
37 HD11 LEU 6 1HD1 LEU 6 -5.255 -6.877 -7.878
38 HD12 LEU 6 2HD1 LEU 6 -3.547 -6.455 -8.015
39 HD13 LEU 6 3HD1 LEU 6 -4.542 -5.708 -6.769
40 HD21 LEU 6 1HD2 LEU 6 -4.700 -9.222 -7.743
41 HD22 LEU 6 2HD2 LEU 6 -3.721 -9.847 -6.422
42 HD23 LEU 6 3HD2 LEU 6 -2.951 -8.982 -7.754
43 H ILE 7 H ILE 7 -0.120 -8.998 -5.148
44 HA ILE 7 HA ILE 7 1.311 -7.569 -3.031
45 HB ILE 7 HB ILE 7 2.246 -9.704 -4.997
46 HG12 ILE 7 2HG1 ILE 7 1.770 -9.904 -2.011
47 HG13 ILE 7 1HG1 ILE 7 0.720 -10.563 -3.257
48 HG21 ILE 7 1HG2 ILE 7 3.767 -8.450 -2.711
49 HG22 ILE 7 2HG2 ILE 7 4.072 -8.192 -4.426
50 HG23 ILE 7 3HG2 ILE 7 4.334 -9.786 -3.716
51 HD11 ILE 7 1HD1 ILE 7 3.562 -11.399 -2.718
52 HD12 ILE 7 2HD1 ILE 7 2.503 -12.076 -3.956
53 HD13 ILE 7 3HD1 ILE 7 2.110 -12.286 -2.249
54 H GLY 8 H GLY 8 2.376 -5.752 -3.624
55 HA2 GLY 8 2HA GLY 8 3.440 -4.165 -4.994
56 HA3 GLY 8 1HA GLY 8 3.316 -5.307 -6.309
57 H ASN 9 H ASN 9 0.597 -5.636 -6.451
58 HA ASN 9 HA ASN 9 -0.132 -3.169 -7.907
59 HB2 ASN 9 2HB ASN 9 -1.097 -6.011 -8.017
60 HB3 ASN 9 1HB ASN 9 -1.904 -4.715 -8.872
61 HD21 ASN 9 1HD2 ASN 9 0.978 -6.691 -8.739
62 HD22 ASN 9 2HD2 ASN 9 1.567 -6.233 -10.287
63 H GLU 10 H GLU 10 -0.421 -3.672 -5.030
64 HA GLU 10 HA GLU 10 -3.238 -4.045 -4.824
65 HB2 GLU 10 2HB GLU 10 -1.902 -5.432 -3.474
66 HB3 GLU 10 1HB GLU 10 -1.131 -4.089 -2.676
67 HG2 GLU 10 2HG GLU 10 -2.822 -4.936 -1.296
68 HG3 GLU 10 1HG GLU 10 -3.328 -3.361 -1.968
69 H ARG 11 H ARG 11 -3.736 -2.243 -5.678
70 HA ARG 11 HA ARG 11 -3.196 0.378 -4.924
71 HB2 ARG 11 2HB ARG 11 -4.414 -0.252 -6.947
72 HB3 ARG 11 1HB ARG 11 -5.793 -0.702 -5.968
73 HG2 ARG 11 2HG ARG 11 -6.237 1.539 -5.365
74 HG3 ARG 11 1HG ARG 11 -4.686 2.091 -6.008
75 HD2 ARG 11 2HD ARG 11 -6.896 0.861 -7.634
76 HD3 ARG 11 1HD ARG 11 -6.580 2.595 -7.515
77 HE ARG 11 HE ARG 11 -4.211 1.658 -8.270
78 HH11 ARG 11 1HH1 ARG 11 -7.406 0.988 -9.595
79 HH12 ARG 11 2HH1 ARG 11 -6.886 0.816 -11.196
80 HH21 ARG 11 1HH2 ARG 11 -3.450 1.412 -10.495
81 HH22 ARG 11 2HH2 ARG 11 -4.573 1.067 -11.715
82 H LEU 12 H LEU 12 -5.298 -1.914 -3.359
83 HA LEU 12 HA LEU 12 -6.726 -0.109 -1.696
84 HB2 LEU 12 2HB LEU 12 -5.977 -2.990 -1.194
85 HB3 LEU 12 1HB LEU 12 -7.143 -2.081 -0.256
86 HG LEU 12 HG LEU 12 -7.419 -2.793 -3.177
87 HD11 LEU 12 1HD1 LEU 12 -9.200 -4.268 -2.399
88 HD12 LEU 12 2HD1 LEU 12 -8.779 -3.890 -0.727
89 HD13 LEU 12 3HD1 LEU 12 -7.625 -4.736 -1.763
90 HD21 LEU 12 1HD2 LEU 12 -8.534 -0.691 -2.658
91 HD22 LEU 12 2HD2 LEU 12 -9.336 -1.440 -1.279
92 HD23 LEU 12 3HD2 LEU 12 -9.717 -1.973 -2.917
93 H CYS 13 H CYS 13 -3.557 -1.405 -1.573
94 HA CYS 13 HA CYS 13 -3.049 -0.510 1.128
95 HB2 CYS 13 2HB CYS 13 -1.991 -2.546 0.444
96 HB3 CYS 13 1HB CYS 13 -1.382 -1.815 -1.025
97 H VAL 14 H VAL 14 -2.174 0.265 -2.194
98 HA VAL 14 HA VAL 14 -0.392 2.344 -1.888
99 HB VAL 14 HB VAL 14 -2.560 2.223 -3.984
100 HG11 VAL 14 1HG1 VAL 14 -1.000 3.475 -5.382
101 HG12 VAL 14 2HG1 VAL 14 0.148 3.535 -4.042
102 HG13 VAL 14 3HG1 VAL 14 -1.403 4.357 -3.907
103 HG21 VAL 14 1HG2 VAL 14 -0.911 1.011 -5.350
104 HG22 VAL 14 2HG2 VAL 14 -1.367 0.116 -3.895
105 HG23 VAL 14 3HG2 VAL 14 0.174 0.961 -3.959
106 H VAL 15 H VAL 15 -3.928 2.549 -1.973
107 HA VAL 15 HA VAL 15 -4.036 5.350 -1.855
108 HB VAL 15 HB VAL 15 -5.858 3.916 -2.666
109 HG11 VAL 15 1HG1 VAL 15 -6.343 3.269 0.206
110 HG12 VAL 15 2HG1 VAL 15 -5.841 2.156 -1.069
111 HG13 VAL 15 3HG1 VAL 15 -7.447 2.893 -1.117
112 HG21 VAL 15 1HG2 VAL 15 -6.343 6.229 -2.134
113 HG22 VAL 15 2HG2 VAL 15 -6.683 5.782 -0.460
114 HG23 VAL 15 3HG2 VAL 15 -7.733 5.210 -1.755
115 H HIS 16 H HIS 16 -3.593 3.005 0.636
116 HA HIS 16 HA HIS 16 -4.294 4.729 2.834
117 HB2 HIS 16 2HB HIS 16 -4.385 2.322 3.210
118 HB3 HIS 16 1HB HIS 16 -2.730 2.125 2.679
119 HD1 HIS 16 1HD HIS 16 -4.634 3.722 5.601
120 HD2 HIS 16 2HD HIS 16 -0.941 2.069 4.637
121 HE1 HIS 16 1HE HIS 16 -3.318 3.638 7.745
122 H CYS 17 H CYS 17 -1.415 3.761 1.151
123 HA CYS 17 HA CYS 17 0.465 5.270 2.652
124 HB2 CYS 17 2HB CYS 17 0.558 4.330 -0.203
125 HB3 CYS 17 1HB CYS 17 1.931 4.795 0.805
126 H LEU 18 H LEU 18 -1.534 6.002 -0.156
127 HA LEU 18 HA LEU 18 -0.379 8.559 -0.608
128 HB2 LEU 18 2HB LEU 18 -3.150 7.562 -1.300
129 HB3 LEU 18 1HB LEU 18 -2.397 9.003 -1.951
130 HG LEU 18 HG LEU 18 -1.466 6.168 -2.420
131 HD11 LEU 18 1HD1 LEU 18 -2.836 8.102 -4.270
132 HD12 LEU 18 2HD1 LEU 18 -3.558 6.661 -3.561
133 HD13 LEU 18 3HD1 LEU 18 -2.225 6.509 -4.707
134 HD21 LEU 18 1HD2 LEU 18 0.403 7.726 -2.445
135 HD22 LEU 18 2HD2 LEU 18 -0.470 8.775 -3.561
136 HD23 LEU 18 3HD2 LEU 18 0.041 7.170 -4.078
137 H ALA 19 H ALA 19 -2.987 7.361 1.426
138 HA ALA 19 HA ALA 19 -3.925 9.870 2.310
139 HB1 ALA 19 1HB ALA 19 -3.992 7.233 3.783
140 HB2 ALA 19 2HB ALA 19 -5.180 7.757 2.597
141 HB3 ALA 19 3HB ALA 19 -5.007 8.637 4.116
142 H LYS 20 H LYS 20 -1.391 7.746 3.470
143 HA LYS 20 HA LYS 20 -0.777 9.333 5.746
144 HB2 LYS 20 2HB LYS 20 0.728 7.152 4.341
145 HB3 LYS 20 1HB LYS 20 1.434 8.027 5.694
146 HG2 LYS 20 2HG LYS 20 -0.469 7.329 7.097
147 HG3 LYS 20 1HG LYS 20 -1.105 6.411 5.735
148 HD2 LYS 20 2HD LYS 20 0.709 4.910 5.756
149 HD3 LYS 20 1HD LYS 20 1.663 5.940 6.839
150 HE2 LYS 20 2HE LYS 20 0.060 5.518 8.621
151 HE3 LYS 20 1HE LYS 20 -0.918 4.542 7.530
152 HZ1 LYS 20 1HZ LYS 20 0.469 3.189 8.972
153 HZ2 LYS 20 2HZ LYS 20 1.864 3.910 8.361
154 HZ3 LYS 20 3HZ LYS 20 0.888 2.968 7.363
155 H GLY 21 H GLY 21 0.453 9.274 2.486
156 HA2 GLY 21 2HA GLY 21 1.175 11.493 1.629
157 HA3 GLY 21 1HA GLY 21 2.051 11.678 3.146
158 H PHE 22 H PHE 22 1.717 9.101 0.792
159 HA PHE 22 HA PHE 22 4.623 8.917 0.655
160 HB2 PHE 22 2HB PHE 22 2.554 6.879 1.112
161 HB3 PHE 22 1HB PHE 22 3.907 6.329 0.160
162 HD1 PHE 22 1HD PHE 22 6.149 6.680 1.042
163 HD2 PHE 22 2HD PHE 22 2.670 7.070 3.403
164 HE1 PHE 22 1HE PHE 22 7.481 6.349 2.938
165 HE2 PHE 22 2HE PHE 22 4.005 6.738 5.438
166 HZ PHE 22 HZ PHE 22 6.440 6.378 5.249
167 H ARG 23 H ARG 23 5.432 7.950 -1.306
168 HA ARG 23 HA ARG 23 4.261 8.948 -3.668
169 HB2 ARG 23 2HB ARG 23 6.238 6.667 -3.408
170 HB3 ARG 23 1HB ARG 23 5.863 7.527 -4.889
171 HG2 ARG 23 2HG ARG 23 6.811 9.565 -3.937
172 HG3 ARG 23 1HG ARG 23 7.183 8.686 -2.455
173 HD2 ARG 23 2HD ARG 23 8.536 7.107 -3.836
174 HD3 ARG 23 1HD ARG 23 8.308 8.204 -5.198
175 HE ARG 23 HE ARG 23 9.237 9.750 -3.151
176 HH11 ARG 23 1HH1 ARG 23 10.461 7.015 -5.023
177 HH12 ARG 23 2HH1 ARG 23 12.093 7.298 -4.660
178 HH21 ARG 23 1HH2 ARG 23 11.463 10.193 -2.692
179 HH22 ARG 23 2HH2 ARG 23 12.691 9.178 -3.310
180 H GLY 24 H GLY 24 3.970 6.013 -1.861
181 HA2 GLY 24 2HA GLY 24 1.548 5.224 -2.736
182 HA3 GLY 24 1HA GLY 24 2.667 4.549 -3.924
183 H GLY 25 H GLY 25 1.732 2.538 -2.968
184 HA2 GLY 25 2HA GLY 25 3.488 1.671 -0.862
185 HA3 GLY 25 1HA GLY 25 1.764 1.616 -0.520
186 H TRP 26 H TRP 26 3.150 -0.648 -0.455
187 HA TRP 26 HA TRP 26 1.938 -2.093 -2.606
188 HB2 TRP 26 2HB TRP 26 3.918 -3.120 -3.476
189 HB3 TRP 26 1HB TRP 26 4.202 -1.386 -3.520
190 HD1 TRP 26 HD TRP 26 5.816 -4.535 -2.593
191 HE1 TRP 26 1HE TRP 26 7.901 -4.137 -1.103
192 HE3 TRP 26 3HE TRP 26 5.037 0.329 -1.330
193 HZ2 TRP 26 2HZ TRP 26 9.037 -2.082 0.369
194 HZ3 TRP 26 3HZ TRP 26 6.648 1.453 0.137
195 HH2 TRP 26 HH TRP 26 8.629 0.259 0.976
196 H CYS 27 H CYS 27 1.245 -3.957 -1.818
197 HA CYS 27 HA CYS 27 2.138 -4.835 0.748
198 HB2 CYS 27 2HB CYS 27 0.327 -6.090 -1.314
199 HB3 CYS 27 1HB CYS 27 0.700 -6.819 0.249
200 H ASP 28 H ASP 28 3.746 -6.143 1.093
201 HA ASP 28 HA ASP 28 5.218 -7.039 -1.279
202 HB2 ASP 28 2HB ASP 28 7.152 -7.253 0.104
203 HB3 ASP 28 1HB ASP 28 6.349 -5.788 0.641
204 H SER 29 H SER 29 6.573 -9.199 -0.389
205 HA SER 29 HA SER 29 4.824 -11.302 -0.851
206 HB2 SER 29 2HB SER 29 7.569 -11.349 0.371
207 HB3 SER 29 1HB SER 29 6.756 -12.676 -0.472
208 HG SER 29 HG SER 29 6.969 -11.677 -2.334
209 H ARG 30 H ARG 30 5.806 -9.791 2.173
210 HA ARG 30 HA ARG 30 4.997 -11.939 3.891
211 HB2 ARG 30 2HB ARG 30 5.418 -9.005 4.424
212 HB3 ARG 30 1HB ARG 30 5.120 -10.210 5.660
213 HG2 ARG 30 2HG ARG 30 7.219 -11.286 5.169
214 HG3 ARG 30 1HG ARG 30 7.491 -10.186 3.811
215 HD2 ARG 30 2HD ARG 30 8.734 -9.489 5.817
216 HD3 ARG 30 1HD ARG 30 7.549 -8.290 5.317
217 HE ARG 30 HE ARG 30 6.662 -10.176 7.323
218 HH11 ARG 30 1HH1 ARG 30 7.906 -6.892 6.743
219 HH12 ARG 30 2HH1 ARG 30 7.543 -6.344 8.307
220 HH21 ARG 30 1HH2 ARG 30 6.115 -9.409 9.376
221 HH22 ARG 30 2HH2 ARG 30 6.474 -7.811 9.864
222 H LYS 31 H LYS 31 3.250 -9.858 1.953
223 HA LYS 31 HA LYS 31 1.117 -9.234 1.748
224 HB2 LYS 31 2HB LYS 31 0.653 -11.225 3.987
225 HB3 LYS 31 1HB LYS 31 -0.656 -10.326 3.239
226 HG2 LYS 31 2HG LYS 31 1.205 -12.211 1.794
227 HG3 LYS 31 1HG LYS 31 -0.425 -12.607 2.334
228 HD2 LYS 31 2HD LYS 31 -1.297 -10.773 0.900
229 HD3 LYS 31 1HD LYS 31 0.339 -10.500 0.306
230 HE2 LYS 31 2HE LYS 31 -0.892 -11.852 -1.276
231 HE3 LYS 31 1HE LYS 31 0.397 -12.802 -0.545
232 HZ1 LYS 31 1HZ LYS 31 -1.601 -14.073 -0.684
233 HZ2 LYS 31 2HZ LYS 31 -2.498 -12.945 0.174
234 HZ3 LYS 31 3HZ LYS 31 -1.248 -13.808 0.929
235 H VAL 32 H VAL 32 3.009 -7.902 3.398
236 HA VAL 32 HA VAL 32 1.302 -6.502 5.298
237 HB VAL 32 HB VAL 32 4.304 -6.360 4.815
238 HG11 VAL 32 1HG1 VAL 32 2.679 -5.030 6.984
239 HG12 VAL 32 2HG1 VAL 32 3.437 -4.213 5.618
240 HG13 VAL 32 3HG1 VAL 32 4.437 -5.004 6.838
241 HG21 VAL 32 1HG2 VAL 32 3.620 -8.450 5.855
242 HG22 VAL 32 2HG2 VAL 32 2.760 -7.555 7.110
243 HG23 VAL 32 3HG2 VAL 32 4.517 -7.447 6.995
244 H CYS 33 H CYS 33 0.659 -4.457 4.875
245 HA CYS 33 HA CYS 33 1.112 -3.318 2.270
246 HB2 CYS 33 2HB CYS 33 -1.125 -2.986 3.536
247 HB3 CYS 33 1HB CYS 33 -0.191 -2.105 4.718
248 H ASN 34 H ASN 34 2.976 -2.271 1.851
249 HA ASN 34 HA ASN 34 4.345 -0.894 4.073
250 HB2 ASN 34 2HB ASN 34 5.590 -1.879 1.495
251 HB3 ASN 34 1HB ASN 34 6.429 -1.212 2.883
252 HD21 ASN 34 1HD2 ASN 34 4.952 -3.909 1.492
253 HD22 ASN 34 2HD2 ASN 34 5.409 -5.108 2.645
254 H CYS 35 H CYS 35 4.975 1.218 3.674
255 HA CYS 35 HA CYS 35 3.971 2.330 1.147
256 HB2 CYS 35 2HB CYS 35 4.072 3.642 3.861
257 HB3 CYS 35 1HB CYS 35 3.514 4.404 2.379
258 H ARG 36 H ARG 36 5.316 3.228 -0.160
259 HA ARG 36 HA ARG 36 7.201 5.098 0.245
260 HB2 ARG 36 2HB ARG 36 8.525 3.487 1.576
261 HB3 ARG 36 1HB ARG 36 8.542 2.388 0.205
262 HG2 ARG 36 2HG ARG 36 9.934 3.840 -1.061
263 HG3 ARG 36 1HG ARG 36 9.737 5.149 0.101
264 HD2 ARG 36 2HD ARG 36 11.934 4.069 0.296
265 HD3 ARG 36 1HD ARG 36 10.984 3.898 1.762
266 HE ARG 36 HE ARG 36 10.510 1.618 1.073
267 HH11 ARG 36 1HH1 ARG 36 13.319 3.211 -0.421
268 HH12 ARG 36 2HH1 ARG 36 14.186 1.777 -0.662
269 HH21 ARG 36 1HH2 ARG 36 11.766 -0.385 0.734
270 HH22 ARG 36 2HH2 ARG 36 13.286 -0.296 -0.011
271 H ARG 37 H ARG 37 6.510 2.144 -1.610
272 HA ARG 37 HA ARG 37 7.625 3.368 -4.010
273 HB2 ARG 37 2HB ARG 37 6.538 0.581 -3.598
274 HB3 ARG 37 1HB ARG 37 7.408 1.164 -5.008
275 HG2 ARG 37 2HG ARG 37 9.405 1.493 -3.608
276 HG3 ARG 37 1HG ARG 37 8.469 0.882 -2.231
277 HD2 ARG 37 2HD ARG 37 8.177 -1.265 -3.336
278 HD3 ARG 37 1HD ARG 37 9.028 -0.666 -4.761
279 HE ARG 37 HE ARG 37 10.875 -0.328 -2.900
280 HH11 ARG 37 1HH1 ARG 37 8.846 -3.153 -3.536
281 HH12 ARG 37 2HH1 ARG 37 9.999 -4.295 -3.032
282 HH21 ARG 37 1HH2 ARG 37 12.464 -1.864 -2.180
283 HH22 ARG 37 2HH2 ARG 37 12.117 -3.531 -2.179
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -8.858 0.768 3.202
2 H2 GLY 1 2HT GLY 1 -9.980 0.758 4.488
3 H3 GLY 1 3HT GLY 1 -9.800 -0.595 3.479
4 HA2 GLY 1 1HA GLY 1 -7.699 0.456 5.237
5 HA3 GLY 1 2HA GLY 1 -8.701 -0.955 5.572
6 H ILE 2 H ILE 2 -5.914 -1.152 5.405
7 HA ILE 2 HA ILE 2 -5.133 -1.827 2.790
8 HB ILE 2 HB ILE 2 -3.055 -2.605 3.869
9 HG12 ILE 2 2HG1 ILE 2 -4.512 -1.892 6.440
10 HG13 ILE 2 1HG1 ILE 2 -3.920 -3.478 5.977
11 HG21 ILE 2 1HG2 ILE 2 -4.085 0.067 4.796
12 HG22 ILE 2 2HG2 ILE 2 -3.379 -0.287 3.223
13 HG23 ILE 2 3HG2 ILE 2 -2.386 -0.394 4.679
14 HD11 ILE 2 1HD1 ILE 2 -1.632 -2.681 6.128
15 HD12 ILE 2 2HD1 ILE 2 -2.491 -2.388 7.647
16 HD13 ILE 2 3HD1 ILE 2 -2.220 -1.068 6.505
17 H THR 3 H THR 3 -4.988 -3.719 1.829
18 HA THR 3 HA THR 3 -5.712 -6.174 3.202
19 HB THR 3 HB THR 3 -6.949 -5.163 0.638
20 HG1 THR 3 1HG THR 3 -7.546 -4.607 3.188
21 HG21 THR 3 1HG2 THR 3 -8.562 -7.026 0.945
22 HG22 THR 3 2HG2 THR 3 -7.698 -7.520 2.400
23 HG23 THR 3 3HG2 THR 3 -6.905 -7.620 0.828
24 H CYS 4 H CYS 4 -4.963 -8.010 1.724
25 HA CYS 4 HA CYS 4 -3.342 -7.086 -0.509
26 HB2 CYS 4 2HB CYS 4 -2.414 -9.116 1.513
27 HB3 CYS 4 1HB CYS 4 -1.616 -8.671 0.001
28 H ASP 5 H ASP 5 -4.845 -7.829 -1.942
29 HA ASP 5 HA ASP 5 -5.080 -10.766 -2.028
30 HB2 ASP 5 2HB ASP 5 -7.181 -9.366 -2.361
31 HB3 ASP 5 1HB ASP 5 -6.434 -8.735 -3.826
32 H LEU 6 H LEU 6 -3.949 -7.861 -3.576
33 HA LEU 6 HA LEU 6 -2.391 -9.415 -5.447
34 HB2 LEU 6 2HB LEU 6 -3.144 -6.499 -5.335
35 HB3 LEU 6 1HB LEU 6 -2.028 -7.181 -6.496
36 HG LEU 6 HG LEU 6 -4.919 -8.012 -6.275
37 HD11 LEU 6 1HD1 LEU 6 -5.280 -6.629 -8.249
38 HD12 LEU 6 2HD1 LEU 6 -3.609 -6.070 -8.177
39 HD13 LEU 6 3HD1 LEU 6 -4.738 -5.647 -6.889
40 HD21 LEU 6 1HD2 LEU 6 -3.459 -9.675 -7.300
41 HD22 LEU 6 2HD2 LEU 6 -2.814 -8.448 -8.388
42 HD23 LEU 6 3HD2 LEU 6 -4.503 -8.931 -8.513
43 H ILE 7 H ILE 7 -0.291 -9.149 -5.408
44 HA ILE 7 HA ILE 7 0.999 -7.834 -3.140
45 HB ILE 7 HB ILE 7 2.179 -9.650 -5.282
46 HG12 ILE 7 2HG1 ILE 7 1.456 -10.317 -2.416
47 HG13 ILE 7 1HG1 ILE 7 0.547 -10.828 -3.833
48 HG21 ILE 7 1HG2 ILE 7 3.853 -8.177 -4.327
49 HG22 ILE 7 2HG2 ILE 7 4.109 -9.830 -3.753
50 HG23 ILE 7 3HG2 ILE 7 3.361 -8.636 -2.696
51 HD11 ILE 7 1HD1 ILE 7 2.469 -12.131 -4.593
52 HD12 ILE 7 2HD1 ILE 7 1.959 -12.620 -2.976
53 HD13 ILE 7 3HD1 ILE 7 3.386 -11.603 -3.182
54 H GLY 8 H GLY 8 2.018 -5.940 -3.484
55 HA2 GLY 8 2HA GLY 8 3.088 -4.199 -4.577
56 HA3 GLY 8 1HA GLY 8 3.183 -5.228 -5.988
57 H ASN 9 H ASN 9 0.419 -5.589 -6.407
58 HA ASN 9 HA ASN 9 -0.185 -3.001 -7.705
59 HB2 ASN 9 2HB ASN 9 -1.309 -5.761 -8.153
60 HB3 ASN 9 1HB ASN 9 -1.768 -4.350 -9.090
61 HD21 ASN 9 1HD2 ASN 9 -0.662 -6.728 -10.138
62 HD22 ASN 9 2HD2 ASN 9 0.860 -6.355 -10.850
63 H GLU 10 H GLU 10 -0.713 -3.959 -4.954
64 HA GLU 10 HA GLU 10 -3.535 -4.204 -4.841
65 HB2 GLU 10 2HB GLU 10 -2.284 -5.670 -3.514
66 HB3 GLU 10 1HB GLU 10 -1.403 -4.391 -2.726
67 HG2 GLU 10 2HG GLU 10 -3.099 -5.227 -1.297
68 HG3 GLU 10 1HG GLU 10 -3.481 -3.576 -1.838
69 H ARG 11 H ARG 11 -3.998 -2.346 -5.598
70 HA ARG 11 HA ARG 11 -3.512 0.229 -4.777
71 HB2 ARG 11 2HB ARG 11 -6.154 -0.880 -5.655
72 HB3 ARG 11 1HB ARG 11 -5.793 0.836 -5.521
73 HG2 ARG 11 2HG ARG 11 -4.499 -1.153 -7.377
74 HG3 ARG 11 1HG ARG 11 -5.663 0.092 -7.824
75 HD2 ARG 11 2HD ARG 11 -2.882 0.536 -6.740
76 HD3 ARG 11 1HD ARG 11 -3.408 0.765 -8.400
77 HE ARG 11 HE ARG 11 -4.994 2.374 -6.746
78 HH11 ARG 11 1HH1 ARG 11 -1.658 2.168 -7.896
79 HH12 ARG 11 2HH1 ARG 11 -1.343 3.832 -7.718
80 HH21 ARG 11 1HH2 ARG 11 -4.578 4.624 -6.518
81 HH22 ARG 11 2HH2 ARG 11 -3.069 5.289 -6.944
82 H LEU 12 H LEU 12 -5.519 -2.120 -3.018
83 HA LEU 12 HA LEU 12 -6.753 -0.250 -1.275
84 HB2 LEU 12 2HB LEU 12 -6.105 -3.171 -0.865
85 HB3 LEU 12 1HB LEU 12 -7.057 -2.220 0.256
86 HG LEU 12 HG LEU 12 -7.818 -2.781 -2.609
87 HD11 LEU 12 1HD1 LEU 12 -8.883 -3.938 -0.037
88 HD12 LEU 12 2HD1 LEU 12 -7.908 -4.792 -1.234
89 HD13 LEU 12 3HD1 LEU 12 -9.527 -4.235 -1.652
90 HD21 LEU 12 1HD2 LEU 12 -9.336 -1.487 -0.361
91 HD22 LEU 12 2HD2 LEU 12 -9.979 -1.872 -1.959
92 HD23 LEU 12 3HD2 LEU 12 -8.699 -0.672 -1.788
93 H CYS 13 H CYS 13 -3.634 -1.583 -1.400
94 HA CYS 13 HA CYS 13 -2.933 -0.696 1.259
95 HB2 CYS 13 2HB CYS 13 -1.947 -2.752 0.506
96 HB3 CYS 13 1HB CYS 13 -1.402 -2.013 -0.987
97 H VAL 14 H VAL 14 -2.188 0.030 -2.120
98 HA VAL 14 HA VAL 14 -0.350 2.078 -1.855
99 HB VAL 14 HB VAL 14 -2.516 2.078 -3.943
100 HG11 VAL 14 1HG1 VAL 14 0.318 3.091 -4.013
101 HG12 VAL 14 2HG1 VAL 14 -1.141 4.062 -3.887
102 HG13 VAL 14 3HG1 VAL 14 -0.824 3.143 -5.365
103 HG21 VAL 14 1HG2 VAL 14 0.077 0.528 -3.995
104 HG22 VAL 14 2HG2 VAL 14 -1.054 0.665 -5.341
105 HG23 VAL 14 3HG2 VAL 14 -1.535 -0.168 -3.863
106 H VAL 15 H VAL 15 -3.900 2.339 -1.959
107 HA VAL 15 HA VAL 15 -4.013 5.131 -1.945
108 HB VAL 15 HB VAL 15 -5.896 3.651 -2.585
109 HG11 VAL 15 1HG1 VAL 15 -6.257 3.220 0.354
110 HG12 VAL 15 2HG1 VAL 15 -5.811 2.011 -0.851
111 HG13 VAL 15 3HG1 VAL 15 -7.414 2.753 -0.896
112 HG21 VAL 15 1HG2 VAL 15 -6.339 6.003 -2.203
113 HG22 VAL 15 2HG2 VAL 15 -6.572 5.705 -0.482
114 HG23 VAL 15 3HG2 VAL 15 -7.711 5.040 -1.652
115 H HIS 16 H HIS 16 -3.538 2.896 0.674
116 HA HIS 16 HA HIS 16 -4.258 4.702 2.777
117 HB2 HIS 16 2HB HIS 16 -4.318 2.387 3.332
118 HB3 HIS 16 1HB HIS 16 -2.722 2.090 2.686
119 HD1 HIS 16 1HD HIS 16 -4.317 3.869 5.686
120 HD2 HIS 16 2HD HIS 16 -0.763 2.107 4.465
121 HE1 HIS 16 1HE HIS 16 -2.783 3.895 7.709
122 H CYS 17 H CYS 17 -1.320 3.769 1.182
123 HA CYS 17 HA CYS 17 0.364 5.418 2.790
124 HB2 CYS 17 2HB CYS 17 0.850 4.247 0.063
125 HB3 CYS 17 1HB CYS 17 2.072 4.843 1.187
126 H LEU 18 H LEU 18 -1.343 5.858 -0.271
127 HA LEU 18 HA LEU 18 -0.201 8.382 -0.877
128 HB2 LEU 18 2HB LEU 18 -2.914 7.272 -1.598
129 HB3 LEU 18 1HB LEU 18 -2.198 8.701 -2.306
130 HG LEU 18 HG LEU 18 -1.098 5.904 -2.567
131 HD11 LEU 18 1HD1 LEU 18 -1.867 6.063 -4.883
132 HD12 LEU 18 2HD1 LEU 18 -2.605 7.624 -4.521
133 HD13 LEU 18 3HD1 LEU 18 -3.210 6.162 -3.743
134 HD21 LEU 18 1HD2 LEU 18 0.343 6.893 -4.283
135 HD22 LEU 18 2HD2 LEU 18 0.643 7.605 -2.702
136 HD23 LEU 18 3HD2 LEU 18 -0.302 8.489 -3.902
137 H ALA 19 H ALA 19 -2.901 7.368 1.134
138 HA ALA 19 HA ALA 19 -3.912 9.979 1.626
139 HB1 ALA 19 1HB ALA 19 -4.251 7.460 3.259
140 HB2 ALA 19 2HB ALA 19 -5.280 7.957 1.918
141 HB3 ALA 19 3HB ALA 19 -5.228 8.923 3.393
142 H LYS 20 H LYS 20 -1.559 7.922 3.187
143 HA LYS 20 HA LYS 20 -1.199 9.715 5.382
144 HB2 LYS 20 2HB LYS 20 0.487 7.408 4.434
145 HB3 LYS 20 1HB LYS 20 0.838 8.347 5.880
146 HG2 LYS 20 2HG LYS 20 -1.340 7.710 6.811
147 HG3 LYS 20 1HG LYS 20 -1.666 6.756 5.367
148 HD2 LYS 20 2HD LYS 20 -0.915 5.314 7.158
149 HD3 LYS 20 1HD LYS 20 0.289 5.361 5.876
150 HE2 LYS 20 2HE LYS 20 1.301 5.456 8.107
151 HE3 LYS 20 1HE LYS 20 1.635 6.893 7.150
152 HZ1 LYS 20 1HZ LYS 20 -0.058 8.086 8.412
153 HZ2 LYS 20 2HZ LYS 20 1.065 7.400 9.452
154 HZ3 LYS 20 3HZ LYS 20 -0.437 6.683 9.270
155 H GLY 21 H GLY 21 0.124 9.488 2.221
156 HA2 GLY 21 2HA GLY 21 0.929 11.643 1.346
157 HA3 GLY 21 1HA GLY 21 1.744 11.871 2.886
158 H PHE 22 H PHE 22 1.756 8.780 1.413
159 HA PHE 22 HA PHE 22 4.606 9.032 0.918
160 HB2 PHE 22 2HB PHE 22 2.795 6.880 1.677
161 HB3 PHE 22 1HB PHE 22 3.953 6.333 0.492
162 HD1 PHE 22 1HD PHE 22 6.360 6.780 0.951
163 HD2 PHE 22 2HD PHE 22 3.349 7.076 3.919
164 HE1 PHE 22 1HE PHE 22 8.045 6.484 2.630
165 HE2 PHE 22 2HE PHE 22 5.036 6.780 5.663
166 HZ PHE 22 HZ PHE 22 7.413 6.486 5.048
167 H ARG 23 H ARG 23 5.518 8.174 -1.051
168 HA ARG 23 HA ARG 23 4.362 8.903 -3.468
169 HB2 ARG 23 2HB ARG 23 6.465 6.819 -2.860
170 HB3 ARG 23 1HB ARG 23 6.006 7.273 -4.491
171 HG2 ARG 23 2HG ARG 23 7.184 9.122 -2.429
172 HG3 ARG 23 1HG ARG 23 8.057 8.382 -3.771
173 HD2 ARG 23 2HD ARG 23 5.758 10.328 -3.965
174 HD3 ARG 23 1HD ARG 23 7.447 10.636 -4.357
175 HE ARG 23 HE ARG 23 7.085 8.749 -6.030
176 HH11 ARG 23 1HH1 ARG 23 4.687 11.199 -5.226
177 HH12 ARG 23 2HH1 ARG 23 3.886 11.146 -6.725
178 HH21 ARG 23 1HH2 ARG 23 6.058 8.693 -8.099
179 HH22 ARG 23 2HH2 ARG 23 4.670 9.660 -8.413
180 H GLY 24 H GLY 24 4.082 6.011 -1.608
181 HA2 GLY 24 2HA GLY 24 1.658 5.246 -2.473
182 HA3 GLY 24 1HA GLY 24 2.773 4.532 -3.638
183 H GLY 25 H GLY 25 1.628 2.664 -2.524
184 HA2 GLY 25 2HA GLY 25 3.444 1.714 -0.501
185 HA3 GLY 25 1HA GLY 25 1.715 1.701 -0.145
186 H TRP 26 H TRP 26 3.367 -0.538 -0.321
187 HA TRP 26 HA TRP 26 1.988 -1.892 -2.464
188 HB2 TRP 26 2HB TRP 26 3.954 -2.884 -3.418
189 HB3 TRP 26 1HB TRP 26 4.260 -1.159 -3.344
190 HD1 TRP 26 HD TRP 26 5.792 -4.399 -2.536
191 HE1 TRP 26 1HE TRP 26 7.892 -4.106 -1.089
192 HE3 TRP 26 3HE TRP 26 5.152 0.454 -1.171
193 HZ2 TRP 26 2HZ TRP 26 9.108 -2.090 0.445
194 HZ3 TRP 26 3HZ TRP 26 6.797 1.507 0.300
195 HH2 TRP 26 HH TRP 26 8.761 0.250 1.099
196 H CYS 27 H CYS 27 1.346 -3.810 -1.809
197 HA CYS 27 HA CYS 27 2.153 -4.714 0.797
198 HB2 CYS 27 2HB CYS 27 -0.198 -4.996 0.063
199 HB3 CYS 27 1HB CYS 27 0.356 -6.014 -1.265
200 H ASP 28 H ASP 28 3.801 -6.052 1.078
201 HA ASP 28 HA ASP 28 5.178 -6.926 -1.349
202 HB2 ASP 28 2HB ASP 28 7.153 -7.218 -0.045
203 HB3 ASP 28 1HB ASP 28 6.398 -5.758 0.569
204 H SER 29 H SER 29 6.504 -9.131 -0.703
205 HA SER 29 HA SER 29 4.724 -11.204 -1.151
206 HB2 SER 29 2HB SER 29 7.471 -11.462 0.034
207 HB3 SER 29 1HB SER 29 6.642 -12.573 -1.063
208 HG SER 29 HG SER 29 6.690 -10.696 -2.615
209 H ARG 30 H ARG 30 5.860 -9.837 1.895
210 HA ARG 30 HA ARG 30 5.088 -12.072 3.543
211 HB2 ARG 30 2HB ARG 30 5.825 -9.225 4.234
212 HB3 ARG 30 1HB ARG 30 5.536 -10.494 5.414
213 HG2 ARG 30 2HG ARG 30 7.416 -11.737 4.611
214 HG3 ARG 30 1HG ARG 30 7.668 -10.584 3.298
215 HD2 ARG 30 2HD ARG 30 9.240 -10.232 5.145
216 HD3 ARG 30 1HD ARG 30 8.183 -8.842 4.915
217 HE ARG 30 HE ARG 30 6.900 -10.281 6.797
218 HH11 ARG 30 1HH1 ARG 30 10.253 -9.146 6.592
219 HH12 ARG 30 2HH1 ARG 30 10.410 -8.907 8.273
220 HH21 ARG 30 1HH2 ARG 30 7.123 -9.964 9.049
221 HH22 ARG 30 2HH2 ARG 30 8.594 -9.401 9.722
222 H LYS 31 H LYS 31 3.381 -9.812 1.884
223 HA LYS 31 HA LYS 31 1.263 -9.153 1.797
224 HB2 LYS 31 2HB LYS 31 0.752 -11.126 4.025
225 HB3 LYS 31 1HB LYS 31 -0.471 -10.399 2.997
226 HG2 LYS 31 2HG LYS 31 1.729 -12.229 2.062
227 HG3 LYS 31 1HG LYS 31 0.060 -12.710 2.338
228 HD2 LYS 31 2HD LYS 31 -0.676 -11.159 0.592
229 HD3 LYS 31 1HD LYS 31 0.991 -10.638 0.345
230 HE2 LYS 31 2HE LYS 31 0.326 -12.247 -1.349
231 HE3 LYS 31 1HE LYS 31 1.610 -12.894 -0.332
232 HZ1 LYS 31 1HZ LYS 31 -0.111 -14.513 -0.776
233 HZ2 LYS 31 2HZ LYS 31 -1.281 -13.537 -0.078
234 HZ3 LYS 31 3HZ LYS 31 -0.053 -14.186 0.872
235 H VAL 32 H VAL 32 3.123 -7.793 3.298
236 HA VAL 32 HA VAL 32 1.457 -6.509 5.326
237 HB VAL 32 HB VAL 32 4.450 -6.332 4.851
238 HG11 VAL 32 1HG1 VAL 32 4.544 -5.089 6.979
239 HG12 VAL 32 2HG1 VAL 32 2.782 -5.116 7.055
240 HG13 VAL 32 3HG1 VAL 32 3.592 -4.243 5.757
241 HG21 VAL 32 1HG2 VAL 32 2.929 -7.694 7.071
242 HG22 VAL 32 2HG2 VAL 32 4.683 -7.525 6.990
243 HG23 VAL 32 3HG2 VAL 32 3.832 -8.489 5.782
244 H CYS 33 H CYS 33 0.826 -4.437 4.939
245 HA CYS 33 HA CYS 33 1.310 -3.298 2.344
246 HB2 CYS 33 2HB CYS 33 -0.939 -3.005 3.619
247 HB3 CYS 33 1HB CYS 33 -0.023 -2.034 4.747
248 H ASN 34 H ASN 34 3.198 -2.278 1.971
249 HA ASN 34 HA ASN 34 4.509 -0.924 4.241
250 HB2 ASN 34 2HB ASN 34 5.799 -1.817 1.648
251 HB3 ASN 34 1HB ASN 34 6.611 -1.199 3.073
252 HD21 ASN 34 1HD2 ASN 34 5.172 -3.870 1.558
253 HD22 ASN 34 2HD2 ASN 34 5.589 -5.105 2.686
254 H CYS 35 H CYS 35 5.156 1.223 3.890
255 HA CYS 35 HA CYS 35 4.139 2.408 1.381
256 HB2 CYS 35 2HB CYS 35 4.395 3.718 4.093
257 HB3 CYS 35 1HB CYS 35 3.777 4.479 2.637
258 H ARG 36 H ARG 36 5.520 3.325 0.062
259 HA ARG 36 HA ARG 36 7.509 5.104 0.552
260 HB2 ARG 36 2HB ARG 36 8.638 3.170 1.761
261 HB3 ARG 36 1HB ARG 36 8.790 2.396 0.191
262 HG2 ARG 36 2HG ARG 36 10.163 4.216 -0.604
263 HG3 ARG 36 1HG ARG 36 9.971 5.055 0.938
264 HD2 ARG 36 2HD ARG 36 11.015 3.096 2.065
265 HD3 ARG 36 1HD ARG 36 11.330 2.401 0.474
266 HE ARG 36 HE ARG 36 12.357 4.979 0.532
267 HH11 ARG 36 1HH1 ARG 36 13.043 1.818 1.970
268 HH12 ARG 36 2HH1 ARG 36 14.682 2.148 2.258
269 HH21 ARG 36 1HH2 ARG 36 14.624 5.441 0.937
270 HH22 ARG 36 2HH2 ARG 36 15.604 4.257 1.642
271 H ARG 37 H ARG 37 6.522 2.316 -1.397
272 HA ARG 37 HA ARG 37 7.652 3.570 -3.790
273 HB2 ARG 37 2HB ARG 37 6.714 0.726 -3.396
274 HB3 ARG 37 1HB ARG 37 7.550 1.374 -4.801
275 HG2 ARG 37 2HG ARG 37 9.528 1.769 -3.428
276 HG3 ARG 37 1HG ARG 37 8.645 1.120 -2.036
277 HD2 ARG 37 2HD ARG 37 8.444 -1.032 -3.169
278 HD3 ARG 37 1HD ARG 37 9.311 -0.391 -4.566
279 HE ARG 37 HE ARG 37 11.074 0.075 -2.699
280 HH11 ARG 37 1HH1 ARG 37 9.157 -2.878 -3.222
281 HH12 ARG 37 2HH1 ARG 37 10.270 -3.919 -2.501
282 HH21 ARG 37 1HH2 ARG 37 12.649 -1.386 -1.723
283 HH22 ARG 37 2HH2 ARG 37 12.321 -3.047 -1.635
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -10.263 -1.516 6.135
2 H2 GLY 1 2HT GLY 1 -9.450 -2.871 5.520
3 H3 GLY 1 3HT GLY 1 -9.818 -1.591 4.508
4 HA2 GLY 1 1HA GLY 1 -8.323 -0.150 5.686
5 HA3 GLY 1 2HA GLY 1 -7.926 -1.495 6.754
6 H ILE 2 H ILE 2 -5.763 -1.743 6.121
7 HA ILE 2 HA ILE 2 -5.300 -2.079 3.312
8 HB ILE 2 HB ILE 2 -2.874 -2.307 4.057
9 HG12 ILE 2 2HG1 ILE 2 -4.059 -1.273 6.648
10 HG13 ILE 2 1HG1 ILE 2 -3.235 -2.815 6.425
11 HG21 ILE 2 1HG2 ILE 2 -4.353 0.262 4.549
12 HG22 ILE 2 2HG2 ILE 2 -3.742 -0.324 3.004
13 HG23 ILE 2 3HG2 ILE 2 -2.617 0.121 4.287
14 HD11 ILE 2 1HD1 ILE 2 -2.008 -0.083 6.163
15 HD12 ILE 2 2HD1 ILE 2 -1.160 -1.615 5.962
16 HD13 ILE 2 3HD1 ILE 2 -1.825 -1.170 7.540
17 H THR 3 H THR 3 -5.359 -3.890 2.413
18 HA THR 3 HA THR 3 -4.821 -6.369 3.863
19 HB THR 3 HB THR 3 -7.195 -5.933 2.000
20 HG1 THR 3 1HG THR 3 -6.934 -5.666 4.786
21 HG21 THR 3 1HG2 THR 3 -7.989 -8.064 2.929
22 HG22 THR 3 2HG2 THR 3 -6.569 -8.149 3.970
23 HG23 THR 3 3HG2 THR 3 -6.386 -8.267 2.220
24 H CYS 4 H CYS 4 -4.080 -8.022 2.301
25 HA CYS 4 HA CYS 4 -3.391 -6.838 -0.272
26 HB2 CYS 4 2HB CYS 4 -1.724 -8.665 1.430
27 HB3 CYS 4 1HB CYS 4 -1.301 -8.145 -0.200
28 H ASP 5 H ASP 5 -4.750 -7.735 -1.661
29 HA ASP 5 HA ASP 5 -5.043 -10.625 -1.581
30 HB2 ASP 5 2HB ASP 5 -7.138 -9.328 -1.825
31 HB3 ASP 5 1HB ASP 5 -6.466 -8.547 -3.255
32 H LEU 6 H LEU 6 -3.824 -7.914 -3.436
33 HA LEU 6 HA LEU 6 -2.320 -9.832 -5.022
34 HB2 LEU 6 2HB LEU 6 -3.294 -7.082 -5.754
35 HB3 LEU 6 1HB LEU 6 -2.125 -7.980 -6.701
36 HG LEU 6 HG LEU 6 -4.997 -8.764 -6.204
37 HD11 LEU 6 1HD1 LEU 6 -5.262 -8.333 -8.599
38 HD12 LEU 6 2HD1 LEU 6 -3.588 -7.783 -8.674
39 HD13 LEU 6 3HD1 LEU 6 -4.767 -6.880 -7.733
40 HD21 LEU 6 1HD2 LEU 6 -2.864 -10.100 -7.872
41 HD22 LEU 6 2HD2 LEU 6 -4.567 -10.546 -7.841
42 HD23 LEU 6 3HD2 LEU 6 -3.586 -10.742 -6.394
43 H ILE 7 H ILE 7 -0.269 -9.135 -5.538
44 HA ILE 7 HA ILE 7 1.034 -7.627 -3.428
45 HB ILE 7 HB ILE 7 2.180 -9.354 -5.624
46 HG12 ILE 7 2HG1 ILE 7 0.980 -10.670 -4.018
47 HG13 ILE 7 1HG1 ILE 7 2.722 -10.900 -3.858
48 HG21 ILE 7 1HG2 ILE 7 3.584 -8.053 -3.302
49 HG22 ILE 7 2HG2 ILE 7 3.771 -7.642 -5.007
50 HG23 ILE 7 3HG2 ILE 7 4.307 -9.215 -4.414
51 HD11 ILE 7 1HD1 ILE 7 1.644 -10.829 -1.678
52 HD12 ILE 7 2HD1 ILE 7 0.976 -9.242 -2.041
53 HD13 ILE 7 3HD1 ILE 7 2.723 -9.448 -1.882
54 H GLY 8 H GLY 8 1.668 -5.744 -3.761
55 HA2 GLY 8 2HA GLY 8 2.479 -3.764 -4.750
56 HA3 GLY 8 1HA GLY 8 2.770 -4.708 -6.197
57 H ASN 9 H ASN 9 0.091 -5.479 -6.648
58 HA ASN 9 HA ASN 9 -0.839 -3.048 -8.006
59 HB2 ASN 9 2HB ASN 9 -1.535 -5.958 -8.286
60 HB3 ASN 9 1HB ASN 9 -2.450 -4.700 -9.097
61 HD21 ASN 9 1HD2 ASN 9 0.604 -6.387 -8.967
62 HD22 ASN 9 2HD2 ASN 9 1.184 -5.808 -10.483
63 H GLU 10 H GLU 10 -1.205 -4.093 -5.186
64 HA GLU 10 HA GLU 10 -4.030 -4.242 -4.920
65 HB2 GLU 10 2HB GLU 10 -2.648 -5.684 -3.672
66 HB3 GLU 10 1HB GLU 10 -1.733 -4.395 -2.953
67 HG2 GLU 10 2HG GLU 10 -3.243 -5.236 -1.398
68 HG3 GLU 10 1HG GLU 10 -3.831 -3.644 -1.924
69 H ARG 11 H ARG 11 -4.370 -2.336 -5.796
70 HA ARG 11 HA ARG 11 -3.445 0.214 -5.123
71 HB2 ARG 11 2HB ARG 11 -6.165 -0.475 -6.200
72 HB3 ARG 11 1HB ARG 11 -5.383 1.100 -6.275
73 HG2 ARG 11 2HG ARG 11 -4.393 -1.417 -7.607
74 HG3 ARG 11 1HG ARG 11 -5.234 -0.090 -8.403
75 HD2 ARG 11 2HD ARG 11 -2.577 0.136 -6.977
76 HD3 ARG 11 1HD ARG 11 -2.774 0.002 -8.715
77 HE ARG 11 HE ARG 11 -4.328 2.117 -7.966
78 HH11 ARG 11 1HH1 ARG 11 -0.855 1.323 -7.768
79 HH12 ARG 11 2HH1 ARG 11 -0.351 2.938 -7.922
80 HH21 ARG 11 1HH2 ARG 11 -3.593 4.339 -8.125
81 HH22 ARG 11 2HH2 ARG 11 -1.936 4.692 -8.078
82 H LEU 12 H LEU 12 -6.049 -1.614 -3.654
83 HA LEU 12 HA LEU 12 -7.055 0.506 -2.081
84 HB2 LEU 12 2HB LEU 12 -7.204 -2.475 -1.704
85 HB3 LEU 12 1HB LEU 12 -8.064 -1.334 -0.691
86 HG LEU 12 HG LEU 12 -8.488 -1.728 -3.660
87 HD11 LEU 12 1HD1 LEU 12 -9.295 -3.603 -2.350
88 HD12 LEU 12 2HD1 LEU 12 -10.640 -2.663 -2.994
89 HD13 LEU 12 3HD1 LEU 12 -10.185 -2.502 -1.299
90 HD21 LEU 12 1HD2 LEU 12 -9.941 0.028 -1.676
91 HD22 LEU 12 2HD2 LEU 12 -10.445 -0.269 -3.336
92 HD23 LEU 12 3HD2 LEU 12 -8.935 0.581 -3.019
93 H CYS 13 H CYS 13 -4.268 -1.417 -1.817
94 HA CYS 13 HA CYS 13 -3.839 -0.724 0.950
95 HB2 CYS 13 2HB CYS 13 -3.049 -2.884 0.243
96 HB3 CYS 13 1HB CYS 13 -2.173 -2.184 -1.117
97 H VAL 14 H VAL 14 -2.531 -0.020 -2.235
98 HA VAL 14 HA VAL 14 -0.498 1.780 -1.599
99 HB VAL 14 HB VAL 14 -2.237 1.897 -4.058
100 HG11 VAL 14 1HG1 VAL 14 -0.216 2.753 -5.184
101 HG12 VAL 14 2HG1 VAL 14 0.625 2.746 -3.634
102 HG13 VAL 14 3HG1 VAL 14 -0.762 3.808 -3.880
103 HG21 VAL 14 1HG2 VAL 14 0.211 0.197 -3.591
104 HG22 VAL 14 2HG2 VAL 14 -0.689 0.340 -5.108
105 HG23 VAL 14 3HG2 VAL 14 -1.451 -0.385 -3.699
106 H VAL 15 H VAL 15 -3.953 2.371 -2.083
107 HA VAL 15 HA VAL 15 -3.861 5.162 -2.191
108 HB VAL 15 HB VAL 15 -5.818 3.784 -2.857
109 HG11 VAL 15 1HG1 VAL 15 -6.343 3.552 0.082
110 HG12 VAL 15 2HG1 VAL 15 -5.931 2.245 -1.026
111 HG13 VAL 15 3HG1 VAL 15 -7.472 3.093 -1.195
112 HG21 VAL 15 1HG2 VAL 15 -7.553 5.352 -2.106
113 HG22 VAL 15 2HG2 VAL 15 -6.075 6.185 -2.596
114 HG23 VAL 15 3HG2 VAL 15 -6.441 5.969 -0.884
115 H HIS 16 H HIS 16 -3.623 3.038 0.516
116 HA HIS 16 HA HIS 16 -4.332 4.889 2.570
117 HB2 HIS 16 2HB HIS 16 -4.304 2.497 3.004
118 HB3 HIS 16 1HB HIS 16 -2.610 2.400 2.567
119 HD1 HIS 16 1HD HIS 16 -4.852 3.610 5.358
120 HD2 HIS 16 2HD HIS 16 -0.843 2.866 4.581
121 HE1 HIS 16 1HE HIS 16 -3.658 3.836 7.567
122 H CYS 17 H CYS 17 -1.385 3.920 1.018
123 HA CYS 17 HA CYS 17 0.424 5.533 2.500
124 HB2 CYS 17 2HB CYS 17 0.692 4.482 -0.302
125 HB3 CYS 17 1HB CYS 17 1.982 4.845 0.840
126 H LEU 18 H LEU 18 -1.393 5.948 -0.502
127 HA LEU 18 HA LEU 18 -0.195 8.425 -1.203
128 HB2 LEU 18 2HB LEU 18 -2.907 7.357 -1.986
129 HB3 LEU 18 1HB LEU 18 -2.045 8.657 -2.781
130 HG LEU 18 HG LEU 18 -1.235 5.754 -2.716
131 HD11 LEU 18 1HD1 LEU 18 -1.680 5.816 -5.115
132 HD12 LEU 18 2HD1 LEU 18 -2.246 7.479 -4.965
133 HD13 LEU 18 3HD1 LEU 18 -3.125 6.174 -4.170
134 HD21 LEU 18 1HD2 LEU 18 0.744 7.167 -2.711
135 HD22 LEU 18 2HD2 LEU 18 0.094 8.111 -4.050
136 HD23 LEU 18 3HD2 LEU 18 0.535 6.420 -4.297
137 H ALA 19 H ALA 19 -2.944 7.526 0.777
138 HA ALA 19 HA ALA 19 -3.997 10.131 1.094
139 HB1 ALA 19 1HB ALA 19 -4.320 7.724 2.886
140 HB2 ALA 19 2HB ALA 19 -5.331 8.106 1.493
141 HB3 ALA 19 3HB ALA 19 -5.327 9.170 2.901
142 H LYS 20 H LYS 20 -1.804 8.161 3.076
143 HA LYS 20 HA LYS 20 -1.509 10.117 5.111
144 HB2 LYS 20 2HB LYS 20 0.206 7.783 4.329
145 HB3 LYS 20 1HB LYS 20 0.669 8.875 5.623
146 HG2 LYS 20 2HG LYS 20 -1.447 8.302 6.789
147 HG3 LYS 20 1HG LYS 20 -1.788 7.121 5.525
148 HD2 LYS 20 2HD LYS 20 0.193 5.895 6.040
149 HD3 LYS 20 1HD LYS 20 0.721 7.144 7.168
150 HE2 LYS 20 2HE LYS 20 -1.164 6.677 8.609
151 HE3 LYS 20 1HE LYS 20 -1.769 5.486 7.460
152 HZ1 LYS 20 1HZ LYS 20 -0.606 4.455 9.285
153 HZ2 LYS 20 2HZ LYS 20 0.817 5.274 8.932
154 HZ3 LYS 20 3HZ LYS 20 0.170 4.153 7.831
155 H GLY 21 H GLY 21 0.232 9.536 2.152
156 HA2 GLY 21 2HA GLY 21 1.048 11.643 1.107
157 HA3 GLY 21 1HA GLY 21 1.698 12.035 2.694
158 H PHE 22 H PHE 22 1.743 9.096 0.808
159 HA PHE 22 HA PHE 22 4.647 9.028 1.102
160 HB2 PHE 22 2HB PHE 22 2.541 6.927 0.994
161 HB3 PHE 22 1HB PHE 22 4.132 6.480 0.427
162 HD1 PHE 22 1HD PHE 22 5.956 6.492 1.865
163 HD2 PHE 22 2HD PHE 22 2.068 7.338 3.272
164 HE1 PHE 22 1HE PHE 22 6.715 6.035 4.048
165 HE2 PHE 22 2HE PHE 22 2.799 6.887 5.575
166 HZ PHE 22 HZ PHE 22 5.145 6.230 6.003
167 H ARG 23 H ARG 23 5.817 8.091 -0.641
168 HA ARG 23 HA ARG 23 5.196 9.049 -3.212
169 HB2 ARG 23 2HB ARG 23 7.493 8.561 -2.457
170 HB3 ARG 23 1HB ARG 23 7.092 6.861 -2.306
171 HG2 ARG 23 2HG ARG 23 6.777 6.720 -4.726
172 HG3 ARG 23 1HG ARG 23 7.177 8.431 -4.882
173 HD2 ARG 23 2HD ARG 23 8.988 6.295 -3.765
174 HD3 ARG 23 1HD ARG 23 9.101 6.978 -5.388
175 HE ARG 23 HE ARG 23 9.208 9.115 -3.669
176 HH11 ARG 23 1HH1 ARG 23 11.191 6.233 -4.155
177 HH12 ARG 23 2HH1 ARG 23 12.647 6.952 -3.643
178 HH21 ARG 23 1HH2 ARG 23 11.159 10.118 -2.999
179 HH22 ARG 23 2HH2 ARG 23 12.630 9.242 -2.974
180 H GLY 24 H GLY 24 4.516 6.134 -1.438
181 HA2 GLY 24 2HA GLY 24 2.287 5.395 -2.754
182 HA3 GLY 24 1HA GLY 24 3.590 4.676 -3.694
183 H GLY 25 H GLY 25 2.437 2.705 -2.961
184 HA2 GLY 25 2HA GLY 25 3.703 1.712 -0.591
185 HA3 GLY 25 1HA GLY 25 1.945 1.785 -0.535
186 H TRP 26 H TRP 26 3.177 -0.610 -0.321
187 HA TRP 26 HA TRP 26 2.155 -1.975 -2.624
188 HB2 TRP 26 2HB TRP 26 4.183 -3.032 -3.340
189 HB3 TRP 26 1HB TRP 26 4.490 -1.304 -3.312
190 HD1 TRP 26 HD TRP 26 5.901 -4.511 -2.167
191 HE1 TRP 26 1HE TRP 26 7.880 -4.141 -0.526
192 HE3 TRP 26 3HE TRP 26 5.227 0.429 -1.149
193 HZ2 TRP 26 2HZ TRP 26 8.963 -2.068 0.984
194 HZ3 TRP 26 3HZ TRP 26 6.743 1.532 0.436
195 HH2 TRP 26 HH TRP 26 8.593 0.296 1.474
196 H CYS 27 H CYS 27 1.774 -4.076 -2.158
197 HA CYS 27 HA CYS 27 2.213 -4.981 0.553
198 HB2 CYS 27 2HB CYS 27 0.886 -6.258 -1.841
199 HB3 CYS 27 1HB CYS 27 1.035 -7.041 -0.270
200 H ASP 28 H ASP 28 3.918 -6.182 1.086
201 HA ASP 28 HA ASP 28 5.665 -7.003 -1.105
202 HB2 ASP 28 2HB ASP 28 7.449 -7.261 0.473
203 HB3 ASP 28 1HB ASP 28 6.611 -5.789 0.925
204 H SER 29 H SER 29 6.923 -9.217 -0.277
205 HA SER 29 HA SER 29 5.085 -11.174 -1.025
206 HB2 SER 29 2HB SER 29 7.532 -11.257 -1.461
207 HB3 SER 29 1HB SER 29 7.788 -11.586 0.253
208 HG SER 29 HG SER 29 6.709 -13.501 0.045
209 H ARG 30 H ARG 30 5.867 -9.982 2.159
210 HA ARG 30 HA ARG 30 4.957 -12.330 3.579
211 HB2 ARG 30 2HB ARG 30 5.406 -9.511 4.538
212 HB3 ARG 30 1HB ARG 30 5.103 -10.894 5.567
213 HG2 ARG 30 2HG ARG 30 7.219 -11.827 5.082
214 HG3 ARG 30 1HG ARG 30 7.476 -10.705 3.736
215 HD2 ARG 30 2HD ARG 30 7.286 -9.980 6.664
216 HD3 ARG 30 1HD ARG 30 8.745 -9.943 5.665
217 HE ARG 30 HE ARG 30 7.004 -8.390 4.306
218 HH11 ARG 30 1HH1 ARG 30 8.316 -8.211 7.589
219 HH12 ARG 30 2HH1 ARG 30 8.015 -6.544 7.766
220 HH21 ARG 30 1HH2 ARG 30 6.565 -6.193 4.553
221 HH22 ARG 30 2HH2 ARG 30 7.018 -5.320 5.964
222 H LYS 31 H LYS 31 3.338 -10.082 1.793
223 HA LYS 31 HA LYS 31 1.155 -9.530 1.493
224 HB2 LYS 31 2HB LYS 31 0.505 -11.184 3.960
225 HB3 LYS 31 1HB LYS 31 -0.653 -10.581 2.791
226 HG2 LYS 31 2HG LYS 31 1.494 -12.623 2.238
227 HG3 LYS 31 1HG LYS 31 -0.204 -12.976 2.549
228 HD2 LYS 31 2HD LYS 31 -0.809 -11.694 0.538
229 HD3 LYS 31 1HD LYS 31 0.907 -11.402 0.232
230 HE2 LYS 31 2HE LYS 31 1.317 -13.772 0.020
231 HE3 LYS 31 1HE LYS 31 -0.353 -14.134 0.436
232 HZ1 LYS 31 1HZ LYS 31 -0.109 -14.273 -1.916
233 HZ2 LYS 31 2HZ LYS 31 0.637 -12.794 -2.021
234 HZ3 LYS 31 3HZ LYS 31 -0.996 -12.879 -1.611
235 H VAL 32 H VAL 32 3.076 -8.189 3.300
236 HA VAL 32 HA VAL 32 1.291 -6.746 5.113
237 HB VAL 32 HB VAL 32 4.316 -6.618 4.830
238 HG11 VAL 32 1HG1 VAL 32 4.290 -5.417 6.968
239 HG12 VAL 32 2HG1 VAL 32 2.529 -5.452 6.966
240 HG13 VAL 32 3HG1 VAL 32 3.392 -4.542 5.727
241 HG21 VAL 32 1HG2 VAL 32 2.640 -8.007 6.917
242 HG22 VAL 32 2HG2 VAL 32 4.398 -7.871 6.937
243 HG23 VAL 32 3HG2 VAL 32 3.598 -8.790 5.662
244 H CYS 33 H CYS 33 0.768 -4.717 4.841
245 HA CYS 33 HA CYS 33 1.306 -3.441 2.338
246 HB2 CYS 33 2HB CYS 33 -0.532 -2.953 4.643
247 HB3 CYS 33 1HB CYS 33 -0.080 -1.595 3.619
248 H ASN 34 H ASN 34 3.004 -2.245 2.025
249 HA ASN 34 HA ASN 34 4.231 -0.909 4.344
250 HB2 ASN 34 2HB ASN 34 5.634 -1.763 1.808
251 HB3 ASN 34 1HB ASN 34 6.367 -1.132 3.268
252 HD21 ASN 34 1HD2 ASN 34 5.081 -3.833 1.677
253 HD22 ASN 34 2HD2 ASN 34 5.495 -5.041 2.840
254 H CYS 35 H CYS 35 4.614 1.234 4.052
255 HA CYS 35 HA CYS 35 3.996 2.337 1.389
256 HB2 CYS 35 2HB CYS 35 3.670 3.733 4.064
257 HB3 CYS 35 1HB CYS 35 3.276 4.379 2.491
258 H ARG 36 H ARG 36 5.507 3.448 0.382
259 HA ARG 36 HA ARG 36 7.434 5.113 1.411
260 HB2 ARG 36 2HB ARG 36 8.282 3.008 2.527
261 HB3 ARG 36 1HB ARG 36 8.633 2.384 0.923
262 HG2 ARG 36 2HG ARG 36 10.159 4.269 0.556
263 HG3 ARG 36 1HG ARG 36 9.832 4.814 2.203
264 HD2 ARG 36 2HD ARG 36 11.086 2.198 1.394
265 HD3 ARG 36 1HD ARG 36 11.899 3.571 2.152
266 HE ARG 36 HE ARG 36 9.682 2.386 3.608
267 HH11 ARG 36 1HH1 ARG 36 13.206 2.640 3.256
268 HH12 ARG 36 2HH1 ARG 36 13.530 1.901 4.749
269 HH21 ARG 36 1HH2 ARG 36 10.138 1.397 5.652
270 HH22 ARG 36 2HH2 ARG 36 11.758 1.176 6.138
271 H ARG 37 H ARG 37 6.958 2.481 -0.928
272 HA ARG 37 HA ARG 37 8.494 3.954 -2.910
273 HB2 ARG 37 2HB ARG 37 7.622 1.071 -2.858
274 HB3 ARG 37 1HB ARG 37 8.720 1.806 -4.023
275 HG2 ARG 37 2HG ARG 37 10.320 2.230 -2.221
276 HG3 ARG 37 1HG ARG 37 9.172 1.506 -1.084
277 HD2 ARG 37 2HD ARG 37 9.340 -0.619 -2.275
278 HD3 ARG 37 1HD ARG 37 10.490 0.097 -3.407
279 HE ARG 37 HE ARG 37 11.759 0.574 -1.192
280 HH11 ARG 37 1HH1 ARG 37 10.102 -2.397 -2.137
281 HH12 ARG 37 2HH1 ARG 37 11.002 -3.421 -1.143
282 HH21 ARG 37 1HH2 ARG 37 13.059 -0.842 0.185
283 HH22 ARG 37 2HH2 ARG 37 12.742 -2.517 0.205
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -9.077 -1.675 6.351
2 H2 GLY 1 2HT GLY 1 -8.928 -0.312 7.376
3 H3 GLY 1 3HT GLY 1 -7.691 -1.459 7.284
4 HA2 GLY 1 1HA GLY 1 -8.568 0.262 5.073
5 HA3 GLY 1 2HA GLY 1 -7.133 0.512 6.063
6 H ILE 2 H ILE 2 -5.359 -0.942 5.856
7 HA ILE 2 HA ILE 2 -4.999 -1.768 3.198
8 HB ILE 2 HB ILE 2 -2.777 -2.631 4.104
9 HG12 ILE 2 2HG1 ILE 2 -3.834 -1.244 6.588
10 HG13 ILE 2 1HG1 ILE 2 -3.361 -2.935 6.450
11 HG21 ILE 2 1HG2 ILE 2 -3.536 0.264 4.419
12 HG22 ILE 2 2HG2 ILE 2 -3.007 -0.535 2.939
13 HG23 ILE 2 3HG2 ILE 2 -1.890 -0.350 4.290
14 HD11 ILE 2 1HD1 ILE 2 -1.739 -1.539 7.646
15 HD12 ILE 2 2HD1 ILE 2 -1.537 -0.569 6.176
16 HD13 ILE 2 3HD1 ILE 2 -1.054 -2.267 6.194
17 H THR 3 H THR 3 -5.210 -3.604 2.248
18 HA THR 3 HA THR 3 -5.357 -6.094 3.723
19 HB THR 3 HB THR 3 -7.460 -5.218 1.710
20 HG1 THR 3 1HG THR 3 -7.251 -4.774 4.371
21 HG21 THR 3 1HG2 THR 3 -7.056 -7.647 1.776
22 HG22 THR 3 2HG2 THR 3 -8.644 -7.255 2.434
23 HG23 THR 3 3HG2 THR 3 -7.311 -7.643 3.522
24 H CYS 4 H CYS 4 -4.317 -7.662 2.498
25 HA CYS 4 HA CYS 4 -3.515 -6.816 -0.176
26 HB2 CYS 4 2HB CYS 4 -2.170 -8.791 1.657
27 HB3 CYS 4 1HB CYS 4 -1.624 -8.315 0.043
28 H ASP 5 H ASP 5 -4.939 -7.595 -1.524
29 HA ASP 5 HA ASP 5 -5.569 -10.457 -1.410
30 HB2 ASP 5 2HB ASP 5 -7.474 -8.862 -1.744
31 HB3 ASP 5 1HB ASP 5 -6.680 -8.265 -3.197
32 H LEU 6 H LEU 6 -4.057 -7.866 -3.186
33 HA LEU 6 HA LEU 6 -2.770 -9.766 -4.974
34 HB2 LEU 6 2HB LEU 6 -3.262 -6.801 -5.273
35 HB3 LEU 6 1HB LEU 6 -2.470 -7.835 -6.443
36 HG LEU 6 HG LEU 6 -5.368 -8.081 -5.628
37 HD11 LEU 6 1HD1 LEU 6 -4.955 -5.991 -6.799
38 HD12 LEU 6 2HD1 LEU 6 -5.863 -7.113 -7.811
39 HD13 LEU 6 3HD1 LEU 6 -4.140 -6.864 -8.095
40 HD21 LEU 6 1HD2 LEU 6 -3.799 -9.370 -7.860
41 HD22 LEU 6 2HD2 LEU 6 -5.535 -9.538 -7.588
42 HD23 LEU 6 3HD2 LEU 6 -4.390 -10.180 -6.409
43 H ILE 7 H ILE 7 -0.604 -9.279 -5.332
44 HA ILE 7 HA ILE 7 0.812 -7.845 -3.193
45 HB ILE 7 HB ILE 7 1.854 -9.969 -5.113
46 HG12 ILE 7 2HG1 ILE 7 1.260 -10.182 -2.151
47 HG13 ILE 7 1HG1 ILE 7 0.291 -10.888 -3.438
48 HG21 ILE 7 1HG2 ILE 7 3.594 -8.391 -4.448
49 HG22 ILE 7 2HG2 ILE 7 3.877 -9.977 -3.731
50 HG23 ILE 7 3HG2 ILE 7 3.214 -8.672 -2.748
51 HD11 ILE 7 1HD1 ILE 7 2.172 -12.319 -4.063
52 HD12 ILE 7 2HD1 ILE 7 1.716 -12.551 -2.375
53 HD13 ILE 7 3HD1 ILE 7 3.143 -11.598 -2.780
54 H GLY 8 H GLY 8 1.817 -6.008 -3.782
55 HA2 GLY 8 2HA GLY 8 2.869 -4.428 -5.097
56 HA3 GLY 8 1HA GLY 8 2.905 -5.596 -6.406
57 H ASN 9 H ASN 9 0.133 -6.023 -6.671
58 HA ASN 9 HA ASN 9 -0.596 -3.576 -8.150
59 HB2 ASN 9 2HB ASN 9 -1.771 -6.358 -8.168
60 HB3 ASN 9 1HB ASN 9 -2.427 -5.027 -9.098
61 HD21 ASN 9 1HD2 ASN 9 -1.468 -7.499 -10.085
62 HD22 ASN 9 2HD2 ASN 9 -0.167 -7.170 -11.160
63 H GLU 10 H GLU 10 -0.826 -4.094 -5.253
64 HA GLU 10 HA GLU 10 -3.648 -4.310 -4.914
65 HB2 GLU 10 2HB GLU 10 -2.269 -5.718 -3.583
66 HB3 GLU 10 1HB GLU 10 -1.412 -4.358 -2.900
67 HG2 GLU 10 2HG GLU 10 -3.042 -5.285 -1.417
68 HG3 GLU 10 1HG GLU 10 -3.412 -3.604 -1.865
69 H ARG 11 H ARG 11 -3.993 -2.403 -5.909
70 HA ARG 11 HA ARG 11 -3.237 0.159 -5.094
71 HB2 ARG 11 2HB ARG 11 -4.304 -0.150 -7.205
72 HB3 ARG 11 1HB ARG 11 -5.777 -0.712 -6.446
73 HG2 ARG 11 2HG ARG 11 -6.306 1.439 -5.601
74 HG3 ARG 11 1HG ARG 11 -4.704 2.059 -5.992
75 HD2 ARG 11 2HD ARG 11 -6.673 1.091 -8.046
76 HD3 ARG 11 1HD ARG 11 -6.529 2.777 -7.539
77 HE ARG 11 HE ARG 11 -4.028 1.685 -8.301
78 HH11 ARG 11 1HH1 ARG 11 -7.012 3.002 -9.657
79 HH12 ARG 11 2HH1 ARG 11 -6.277 3.624 -11.056
80 HH21 ARG 11 1HH2 ARG 11 -2.996 2.560 -10.168
81 HH22 ARG 11 2HH2 ARG 11 -3.920 3.376 -11.347
82 H LEU 12 H LEU 12 -5.689 -1.895 -3.786
83 HA LEU 12 HA LEU 12 -7.004 0.076 -2.214
84 HB2 LEU 12 2HB LEU 12 -6.784 -2.899 -1.746
85 HB3 LEU 12 1HB LEU 12 -7.882 -1.832 -0.895
86 HG LEU 12 HG LEU 12 -7.953 -2.412 -3.859
87 HD11 LEU 12 1HD1 LEU 12 -9.749 -3.332 -1.628
88 HD12 LEU 12 2HD1 LEU 12 -8.639 -4.333 -2.566
89 HD13 LEU 12 3HD1 LEU 12 -10.034 -3.591 -3.348
90 HD21 LEU 12 1HD2 LEU 12 -9.803 -0.782 -2.117
91 HD22 LEU 12 2HD2 LEU 12 -10.107 -1.217 -3.794
92 HD23 LEU 12 3HD2 LEU 12 -8.753 -0.165 -3.394
93 H CYS 13 H CYS 13 -4.047 -1.593 -1.873
94 HA CYS 13 HA CYS 13 -3.699 -0.802 0.879
95 HB2 CYS 13 2HB CYS 13 -2.745 -2.908 0.225
96 HB3 CYS 13 1HB CYS 13 -1.908 -2.166 -1.140
97 H VAL 14 H VAL 14 -2.417 -0.069 -2.330
98 HA VAL 14 HA VAL 14 -0.500 1.847 -1.736
99 HB VAL 14 HB VAL 14 -2.307 1.933 -4.156
100 HG11 VAL 14 1HG1 VAL 14 -0.367 2.928 -5.298
101 HG12 VAL 14 2HG1 VAL 14 0.511 2.926 -3.768
102 HG13 VAL 14 3HG1 VAL 14 -0.939 3.912 -3.950
103 HG21 VAL 14 1HG2 VAL 14 -0.662 0.510 -5.302
104 HG22 VAL 14 2HG2 VAL 14 -1.379 -0.319 -3.915
105 HG23 VAL 14 3HG2 VAL 14 0.242 0.360 -3.797
106 H VAL 15 H VAL 15 -3.984 2.284 -2.225
107 HA VAL 15 HA VAL 15 -4.021 5.070 -2.241
108 HB VAL 15 HB VAL 15 -5.910 3.634 -2.962
109 HG11 VAL 15 1HG1 VAL 15 -7.550 2.822 -1.336
110 HG12 VAL 15 2HG1 VAL 15 -6.443 3.276 -0.036
111 HG13 VAL 15 3HG1 VAL 15 -5.979 2.029 -1.191
112 HG21 VAL 15 1HG2 VAL 15 -6.627 5.747 -0.938
113 HG22 VAL 15 2HG2 VAL 15 -7.726 5.095 -2.151
114 HG23 VAL 15 3HG2 VAL 15 -6.299 6.004 -2.653
115 H HIS 16 H HIS 16 -3.758 2.885 0.439
116 HA HIS 16 HA HIS 16 -4.561 4.695 2.488
117 HB2 HIS 16 2HB HIS 16 -4.477 2.263 2.936
118 HB3 HIS 16 1HB HIS 16 -2.771 2.249 2.542
119 HD1 HIS 16 1HD HIS 16 -5.036 3.801 5.190
120 HD2 HIS 16 2HD HIS 16 -1.189 2.346 4.659
121 HE1 HIS 16 1HE HIS 16 -3.940 3.867 7.470
122 H CYS 17 H CYS 17 -1.566 3.833 0.982
123 HA CYS 17 HA CYS 17 0.142 5.509 2.531
124 HB2 CYS 17 2HB CYS 17 0.563 4.404 -0.234
125 HB3 CYS 17 1HB CYS 17 1.801 4.865 0.932
126 H LEU 18 H LEU 18 -1.702 5.871 -0.443
127 HA LEU 18 HA LEU 18 -0.544 8.369 -1.190
128 HB2 LEU 18 2HB LEU 18 -3.244 7.247 -1.940
129 HB3 LEU 18 1HB LEU 18 -2.418 8.560 -2.745
130 HG LEU 18 HG LEU 18 -1.573 5.670 -2.700
131 HD11 LEU 18 1HD1 LEU 18 -2.621 7.398 -4.928
132 HD12 LEU 18 2HD1 LEU 18 -3.489 6.094 -4.122
133 HD13 LEU 18 3HD1 LEU 18 -2.059 5.736 -5.090
134 HD21 LEU 18 1HD2 LEU 18 -0.277 8.023 -4.080
135 HD22 LEU 18 2HD2 LEU 18 0.191 6.333 -4.266
136 HD23 LEU 18 3HD2 LEU 18 0.390 7.134 -2.709
137 H ALA 19 H ALA 19 -3.248 7.404 0.814
138 HA ALA 19 HA ALA 19 -4.289 10.029 1.151
139 HB1 ALA 19 1HB ALA 19 -5.689 8.048 1.459
140 HB2 ALA 19 2HB ALA 19 -5.656 9.020 2.933
141 HB3 ALA 19 3HB ALA 19 -4.692 7.547 2.820
142 H LYS 20 H LYS 20 -2.010 8.022 2.926
143 HA LYS 20 HA LYS 20 -1.630 9.878 5.060
144 HB2 LYS 20 2HB LYS 20 0.054 7.611 4.040
145 HB3 LYS 20 1HB LYS 20 0.593 8.648 5.352
146 HG2 LYS 20 2HG LYS 20 -1.383 8.001 6.651
147 HG3 LYS 20 1HG LYS 20 -1.883 6.947 5.327
148 HD2 LYS 20 2HD LYS 20 -0.013 5.548 5.599
149 HD3 LYS 20 1HD LYS 20 0.784 6.688 6.696
150 HE2 LYS 20 2HE LYS 20 -0.982 6.315 8.328
151 HE3 LYS 20 1HE LYS 20 -1.786 5.216 7.210
152 HZ1 LYS 20 1HZ LYS 20 -0.513 4.023 8.851
153 HZ2 LYS 20 2HZ LYS 20 0.892 4.821 8.409
154 HZ3 LYS 20 3HZ LYS 20 0.155 3.753 7.334
155 H GLY 21 H GLY 21 -0.154 9.465 1.967
156 HA2 GLY 21 2HA GLY 21 0.748 11.403 0.841
157 HA3 GLY 21 1HA GLY 21 1.270 12.006 2.415
158 H PHE 22 H PHE 22 1.566 8.919 0.775
159 HA PHE 22 HA PHE 22 4.423 9.062 1.269
160 HB2 PHE 22 2HB PHE 22 2.505 6.870 1.500
161 HB3 PHE 22 1HB PHE 22 4.006 6.372 0.745
162 HD1 PHE 22 1HD PHE 22 6.140 6.695 1.934
163 HD2 PHE 22 2HD PHE 22 2.363 7.391 3.791
164 HE1 PHE 22 1HE PHE 22 7.195 6.598 4.050
165 HE2 PHE 22 2HE PHE 22 3.442 7.283 5.991
166 HZ PHE 22 HZ PHE 22 5.874 6.893 6.146
167 H ARG 23 H ARG 23 5.788 8.135 -0.190
168 HA ARG 23 HA ARG 23 5.521 8.993 -2.839
169 HB2 ARG 23 2HB ARG 23 7.343 6.870 -1.715
170 HB3 ARG 23 1HB ARG 23 7.606 7.811 -3.174
171 HG2 ARG 23 2HG ARG 23 7.905 9.815 -1.904
172 HG3 ARG 23 1HG ARG 23 7.447 8.986 -0.417
173 HD2 ARG 23 2HD ARG 23 9.846 9.215 -0.552
174 HD3 ARG 23 1HD ARG 23 9.381 7.519 -0.640
175 HE ARG 23 HE ARG 23 10.064 9.123 -3.004
176 HH11 ARG 23 1HH1 ARG 23 10.188 6.067 -1.241
177 HH12 ARG 23 2HH1 ARG 23 11.363 5.359 -2.234
178 HH21 ARG 23 1HH2 ARG 23 11.628 8.157 -4.422
179 HH22 ARG 23 2HH2 ARG 23 12.213 6.590 -4.144
180 H GLY 24 H GLY 24 4.696 6.069 -1.183
181 HA2 GLY 24 2HA GLY 24 2.812 5.181 -2.902
182 HA3 GLY 24 1HA GLY 24 4.312 4.491 -3.515
183 H GLY 25 H GLY 25 2.397 2.845 -2.701
184 HA2 GLY 25 2HA GLY 25 3.571 1.656 -0.347
185 HA3 GLY 25 1HA GLY 25 1.841 1.998 -0.338
186 H TRP 26 H TRP 26 2.926 -0.575 -0.182
187 HA TRP 26 HA TRP 26 1.571 -1.780 -2.395
188 HB2 TRP 26 2HB TRP 26 3.439 -2.923 -3.400
189 HB3 TRP 26 1HB TRP 26 3.834 -1.211 -3.376
190 HD1 TRP 26 HD TRP 26 5.240 -4.502 -2.508
191 HE1 TRP 26 1HE TRP 26 7.383 -4.267 -1.076
192 HE3 TRP 26 3HE TRP 26 4.888 0.415 -1.281
193 HZ2 TRP 26 2HZ TRP 26 8.705 -2.297 0.376
194 HZ3 TRP 26 3HZ TRP 26 6.575 1.416 0.147
195 HH2 TRP 26 HH TRP 26 8.498 0.063 0.963
196 H CYS 27 H CYS 27 1.159 -3.927 -1.981
197 HA CYS 27 HA CYS 27 1.870 -4.992 0.606
198 HB2 CYS 27 2HB CYS 27 0.342 -6.127 -1.739
199 HB3 CYS 27 1HB CYS 27 0.684 -7.037 -0.271
200 H ASP 28 H ASP 28 3.742 -5.893 0.856
201 HA ASP 28 HA ASP 28 5.329 -6.593 -1.467
202 HB2 ASP 28 2HB ASP 28 6.214 -5.462 0.687
203 HB3 ASP 28 1HB ASP 28 6.123 -7.064 1.408
204 H SER 29 H SER 29 6.722 -8.820 -0.779
205 HA SER 29 HA SER 29 4.950 -10.825 -1.624
206 HB2 SER 29 2HB SER 29 7.729 -11.107 -0.510
207 HB3 SER 29 1HB SER 29 6.906 -12.224 -1.607
208 HG SER 29 HG SER 29 7.518 -11.033 -3.199
209 H ARG 30 H ARG 30 5.798 -9.715 1.496
210 HA ARG 30 HA ARG 30 5.074 -12.233 2.777
211 HB2 ARG 30 2HB ARG 30 5.862 -9.628 4.112
212 HB3 ARG 30 1HB ARG 30 5.608 -11.159 4.929
213 HG2 ARG 30 2HG ARG 30 7.870 -11.213 4.795
214 HG3 ARG 30 1HG ARG 30 7.512 -11.920 3.218
215 HD2 ARG 30 2HD ARG 30 9.180 -10.225 2.909
216 HD3 ARG 30 1HD ARG 30 7.656 -9.612 2.255
217 HE ARG 30 HE ARG 30 7.894 -8.833 4.945
218 HH11 ARG 30 1HH1 ARG 30 9.162 -7.955 1.748
219 HH12 ARG 30 2HH1 ARG 30 9.743 -6.450 2.286
220 HH21 ARG 30 1HH2 ARG 30 8.656 -6.740 5.607
221 HH22 ARG 30 2HH2 ARG 30 9.422 -5.729 4.471
222 H LYS 31 H LYS 31 3.266 -10.114 1.333
223 HA LYS 31 HA LYS 31 1.093 -9.478 1.385
224 HB2 LYS 31 2HB LYS 31 0.859 -11.394 3.730
225 HB3 LYS 31 1HB LYS 31 -0.494 -10.652 2.904
226 HG2 LYS 31 2HG LYS 31 1.454 -12.626 1.709
227 HG3 LYS 31 1HG LYS 31 -0.195 -12.965 2.227
228 HD2 LYS 31 2HD LYS 31 -1.001 -11.319 0.530
229 HD3 LYS 31 1HD LYS 31 0.661 -11.147 -0.024
230 HE2 LYS 31 2HE LYS 31 -0.476 -12.703 -1.476
231 HE3 LYS 31 1HE LYS 31 0.716 -13.578 -0.520
232 HZ1 LYS 31 1HZ LYS 31 -2.213 -13.491 -0.008
233 HZ2 LYS 31 2HZ LYS 31 -1.111 -14.317 0.944
234 HZ3 LYS 31 3HZ LYS 31 -1.369 -14.790 -0.644
235 H VAL 32 H VAL 32 3.091 -8.079 2.841
236 HA VAL 32 HA VAL 32 1.510 -6.756 4.957
237 HB VAL 32 HB VAL 32 4.524 -6.775 4.594
238 HG11 VAL 32 1HG1 VAL 32 2.848 -5.666 6.838
239 HG12 VAL 32 2HG1 VAL 32 3.726 -4.725 5.634
240 HG13 VAL 32 3HG1 VAL 32 4.611 -5.711 6.797
241 HG21 VAL 32 1HG2 VAL 32 2.828 -8.227 6.619
242 HG22 VAL 32 2HG2 VAL 32 4.585 -8.139 6.649
243 HG23 VAL 32 3HG2 VAL 32 3.768 -8.963 5.320
244 H CYS 33 H CYS 33 0.971 -4.776 4.684
245 HA CYS 33 HA CYS 33 1.659 -3.386 2.292
246 HB2 CYS 33 2HB CYS 33 -0.254 -2.833 4.554
247 HB3 CYS 33 1HB CYS 33 0.276 -1.548 3.477
248 H ASN 34 H ASN 34 3.221 -2.066 2.032
249 HA ASN 34 HA ASN 34 4.436 -0.761 4.381
250 HB2 ASN 34 2HB ASN 34 5.864 -1.539 1.824
251 HB3 ASN 34 1HB ASN 34 6.583 -0.821 3.249
252 HD21 ASN 34 1HD2 ASN 34 5.422 -3.685 1.760
253 HD22 ASN 34 2HD2 ASN 34 6.040 -4.794 2.934
254 H CYS 35 H CYS 35 4.574 1.435 4.145
255 HA CYS 35 HA CYS 35 4.114 2.543 1.438
256 HB2 CYS 35 2HB CYS 35 3.607 3.928 4.094
257 HB3 CYS 35 1HB CYS 35 3.158 4.505 2.505
258 H ARG 36 H ARG 36 5.960 3.194 0.587
259 HA ARG 36 HA ARG 36 7.858 4.789 2.053
260 HB2 ARG 36 2HB ARG 36 8.707 2.038 1.136
261 HB3 ARG 36 1HB ARG 36 9.733 3.321 1.740
262 HG2 ARG 36 2HG ARG 36 8.834 3.072 3.946
263 HG3 ARG 36 1HG ARG 36 7.611 1.947 3.363
264 HD2 ARG 36 2HD ARG 36 9.521 0.444 2.661
265 HD3 ARG 36 1HD ARG 36 10.581 1.524 3.573
266 HE ARG 36 HE ARG 36 8.734 1.034 5.349
267 HH11 ARG 36 1HH1 ARG 36 10.615 -1.209 3.351
268 HH12 ARG 36 2HH1 ARG 36 10.358 -2.543 4.395
269 HH21 ARG 36 1HH2 ARG 36 8.395 -0.836 6.760
270 HH22 ARG 36 2HH2 ARG 36 9.110 -2.311 6.338
271 H ARG 37 H ARG 37 7.385 2.565 -0.684
272 HA ARG 37 HA ARG 37 9.301 3.985 -2.304
273 HB2 ARG 37 2HB ARG 37 7.900 1.349 -2.697
274 HB3 ARG 37 1HB ARG 37 9.170 1.989 -3.744
275 HG2 ARG 37 2HG ARG 37 10.624 1.982 -1.686
276 HG3 ARG 37 1HG ARG 37 9.284 1.123 -0.910
277 HD2 ARG 37 2HD ARG 37 10.893 -0.508 -1.711
278 HD3 ARG 37 1HD ARG 37 9.409 -0.613 -2.653
279 HE ARG 37 HE ARG 37 11.337 1.109 -3.849
280 HH11 ARG 37 1HH1 ARG 37 10.279 -2.244 -3.594
281 HH12 ARG 37 2HH1 ARG 37 11.176 -2.789 -4.927
282 HH21 ARG 37 1HH2 ARG 37 12.588 0.339 -5.741
283 HH22 ARG 37 2HH2 ARG 37 12.455 -1.304 -6.187
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -8.982 -3.201 7.180
2 H2 GLY 1 2HT GLY 1 -9.853 -2.232 6.130
3 H3 GLY 1 3HT GLY 1 -9.806 -1.861 7.792
4 HA2 GLY 1 1HA GLY 1 -8.352 -0.403 6.521
5 HA3 GLY 1 2HA GLY 1 -7.453 -1.428 7.643
6 H ILE 2 H ILE 2 -5.552 -1.269 6.351
7 HA ILE 2 HA ILE 2 -5.587 -2.034 3.661
8 HB ILE 2 HB ILE 2 -3.074 -2.211 4.031
9 HG12 ILE 2 2HG1 ILE 2 -3.887 -1.140 6.765
10 HG13 ILE 2 1HG1 ILE 2 -2.980 -2.600 6.418
11 HG21 ILE 2 1HG2 ILE 2 -4.096 -0.324 2.992
12 HG22 ILE 2 2HG2 ILE 2 -2.834 0.237 4.089
13 HG23 ILE 2 3HG2 ILE 2 -4.529 0.359 4.555
14 HD11 ILE 2 1HD1 ILE 2 -1.107 -1.212 5.622
15 HD12 ILE 2 2HD1 ILE 2 -1.543 -0.871 7.291
16 HD13 ILE 2 3HD1 ILE 2 -2.044 0.230 6.009
17 H THR 3 H THR 3 -5.504 -3.908 2.756
18 HA THR 3 HA THR 3 -4.709 -6.313 4.202
19 HB THR 3 HB THR 3 -7.196 -6.000 2.521
20 HG1 THR 3 1HG THR 3 -6.782 -5.890 5.306
21 HG21 THR 3 1HG2 THR 3 -6.264 -8.329 4.226
22 HG22 THR 3 2HG2 THR 3 -6.252 -8.265 2.466
23 HG23 THR 3 3HG2 THR 3 -7.786 -8.270 3.336
24 H CYS 4 H CYS 4 -3.833 -7.832 2.652
25 HA CYS 4 HA CYS 4 -3.551 -6.692 -0.017
26 HB2 CYS 4 2HB CYS 4 -1.548 -8.305 1.525
27 HB3 CYS 4 1HB CYS 4 -1.341 -7.652 -0.100
28 H ASP 5 H ASP 5 -4.867 -7.822 -1.242
29 HA ASP 5 HA ASP 5 -4.886 -10.732 -0.975
30 HB2 ASP 5 2HB ASP 5 -7.085 -9.587 -1.261
31 HB3 ASP 5 1HB ASP 5 -6.489 -8.900 -2.772
32 H LEU 6 H LEU 6 -3.947 -8.036 -2.956
33 HA LEU 6 HA LEU 6 -2.559 -9.810 -4.782
34 HB2 LEU 6 2HB LEU 6 -3.354 -6.912 -5.003
35 HB3 LEU 6 1HB LEU 6 -2.451 -7.797 -6.218
36 HG LEU 6 HG LEU 6 -5.292 -8.354 -5.368
37 HD11 LEU 6 1HD1 LEU 6 -5.098 -6.270 -6.601
38 HD12 LEU 6 2HD1 LEU 6 -5.884 -7.503 -7.585
39 HD13 LEU 6 3HD1 LEU 6 -4.195 -7.091 -7.874
40 HD21 LEU 6 1HD2 LEU 6 -4.168 -10.387 -6.094
41 HD22 LEU 6 2HD2 LEU 6 -3.607 -9.575 -7.554
42 HD23 LEU 6 3HD2 LEU 6 -5.328 -9.864 -7.315
43 H ILE 7 H ILE 7 -0.492 -9.152 -5.309
44 HA ILE 7 HA ILE 7 0.978 -7.776 -3.171
45 HB ILE 7 HB ILE 7 1.933 -9.855 -5.175
46 HG12 ILE 7 2HG1 ILE 7 1.583 -9.989 -2.177
47 HG13 ILE 7 1HG1 ILE 7 0.533 -10.741 -3.359
48 HG21 ILE 7 1HG2 ILE 7 3.489 -8.491 -2.974
49 HG22 ILE 7 2HG2 ILE 7 3.703 -8.232 -4.703
50 HG23 ILE 7 3HG2 ILE 7 4.081 -9.804 -3.994
51 HD11 ILE 7 1HD1 ILE 7 2.072 -12.344 -2.331
52 HD12 ILE 7 2HD1 ILE 7 3.439 -11.413 -2.959
53 HD13 ILE 7 3HD1 ILE 7 2.325 -12.205 -4.068
54 H GLY 8 H GLY 8 1.730 -5.865 -3.671
55 HA2 GLY 8 2HA GLY 8 2.598 -4.079 -4.863
56 HA3 GLY 8 1HA GLY 8 2.799 -5.165 -6.228
57 H ASN 9 H ASN 9 0.074 -5.903 -6.404
58 HA ASN 9 HA ASN 9 -0.861 -3.636 -8.020
59 HB2 ASN 9 2HB ASN 9 -1.702 -6.532 -7.930
60 HB3 ASN 9 1HB ASN 9 -2.434 -5.334 -8.982
61 HD21 ASN 9 1HD2 ASN 9 0.348 -7.362 -8.448
62 HD22 ASN 9 2HD2 ASN 9 1.086 -7.026 -9.961
63 H GLU 10 H GLU 10 -1.143 -4.292 -5.075
64 HA GLU 10 HA GLU 10 -3.972 -4.491 -4.750
65 HB2 GLU 10 2HB GLU 10 -2.509 -5.782 -3.353
66 HB3 GLU 10 1HB GLU 10 -1.686 -4.355 -2.783
67 HG2 GLU 10 2HG GLU 10 -3.174 -5.167 -1.159
68 HG3 GLU 10 1HG GLU 10 -3.739 -3.608 -1.791
69 H ARG 11 H ARG 11 -4.271 -2.610 -5.875
70 HA ARG 11 HA ARG 11 -3.396 -0.021 -5.324
71 HB2 ARG 11 2HB ARG 11 -4.563 -0.665 -7.382
72 HB3 ARG 11 1HB ARG 11 -6.050 -0.847 -6.469
73 HG2 ARG 11 2HG ARG 11 -6.086 1.506 -5.962
74 HG3 ARG 11 1HG ARG 11 -4.537 1.733 -6.772
75 HD2 ARG 11 2HD ARG 11 -7.064 0.750 -8.080
76 HD3 ARG 11 1HD ARG 11 -6.432 2.394 -8.174
77 HE ARG 11 HE ARG 11 -4.415 0.712 -8.992
78 HH11 ARG 11 1HH1 ARG 11 -7.646 1.554 -10.076
79 HH12 ARG 11 2HH1 ARG 11 -7.354 1.323 -11.735
80 HH21 ARG 11 1HH2 ARG 11 -3.925 0.430 -11.259
81 HH22 ARG 11 2HH2 ARG 11 -5.114 0.674 -12.440
82 H LEU 12 H LEU 12 -6.015 -1.828 -3.873
83 HA LEU 12 HA LEU 12 -7.269 0.294 -2.497
84 HB2 LEU 12 2HB LEU 12 -7.077 -2.618 -1.763
85 HB3 LEU 12 1HB LEU 12 -8.173 -1.475 -1.013
86 HG LEU 12 HG LEU 12 -8.241 -2.342 -3.906
87 HD11 LEU 12 1HD1 LEU 12 -10.298 -3.485 -3.281
88 HD12 LEU 12 2HD1 LEU 12 -10.049 -3.008 -1.603
89 HD13 LEU 12 3HD1 LEU 12 -8.915 -4.112 -2.384
90 HD21 LEU 12 1HD2 LEU 12 -10.384 -1.153 -3.971
91 HD22 LEU 12 2HD2 LEU 12 -9.038 -0.068 -3.652
92 HD23 LEU 12 3HD2 LEU 12 -10.102 -0.564 -2.332
93 H CYS 13 H CYS 13 -4.366 -1.446 -1.917
94 HA CYS 13 HA CYS 13 -4.121 -0.428 0.766
95 HB2 CYS 13 2HB CYS 13 -3.289 -2.637 0.425
96 HB3 CYS 13 1HB CYS 13 -2.354 -2.133 -0.983
97 H VAL 14 H VAL 14 -2.686 0.017 -2.426
98 HA VAL 14 HA VAL 14 -0.633 1.814 -1.856
99 HB VAL 14 HB VAL 14 -2.364 1.838 -4.328
100 HG11 VAL 14 1HG1 VAL 14 -0.345 2.687 -5.474
101 HG12 VAL 14 2HG1 VAL 14 0.480 2.753 -3.916
102 HG13 VAL 14 3HG1 VAL 14 -0.920 3.778 -4.212
103 HG21 VAL 14 1HG2 VAL 14 -1.544 -0.422 -3.901
104 HG22 VAL 14 2HG2 VAL 14 0.105 0.187 -3.772
105 HG23 VAL 14 3HG2 VAL 14 -0.751 0.271 -5.315
106 H VAL 15 H VAL 15 -4.049 2.457 -2.511
107 HA VAL 15 HA VAL 15 -3.919 5.243 -2.629
108 HB VAL 15 HB VAL 15 -5.874 3.889 -3.354
109 HG11 VAL 15 1HG1 VAL 15 -6.084 2.349 -1.545
110 HG12 VAL 15 2HG1 VAL 15 -7.596 3.248 -1.720
111 HG13 VAL 15 3HG1 VAL 15 -6.468 3.657 -0.428
112 HG21 VAL 15 1HG2 VAL 15 -6.120 6.292 -3.114
113 HG22 VAL 15 2HG2 VAL 15 -6.543 6.096 -1.413
114 HG23 VAL 15 3HG2 VAL 15 -7.616 5.473 -2.667
115 H HIS 16 H HIS 16 -3.890 3.123 0.128
116 HA HIS 16 HA HIS 16 -4.599 5.080 2.079
117 HB2 HIS 16 2HB HIS 16 -4.886 2.777 2.680
118 HB3 HIS 16 1HB HIS 16 -3.235 2.386 2.239
119 HD1 HIS 16 1HD HIS 16 -5.069 4.397 4.931
120 HD2 HIS 16 2HD HIS 16 -1.513 2.363 4.272
121 HE1 HIS 16 1HE HIS 16 -3.819 4.395 7.150
122 H CYS 17 H CYS 17 -1.614 3.841 0.774
123 HA CYS 17 HA CYS 17 0.196 5.338 2.371
124 HB2 CYS 17 2HB CYS 17 0.548 4.412 -0.478
125 HB3 CYS 17 1HB CYS 17 1.818 4.742 0.693
126 H LEU 18 H LEU 18 -1.395 5.967 -0.713
127 HA LEU 18 HA LEU 18 -0.135 8.468 -1.184
128 HB2 LEU 18 2HB LEU 18 -2.784 7.461 -2.217
129 HB3 LEU 18 1HB LEU 18 -1.853 8.783 -2.888
130 HG LEU 18 HG LEU 18 -1.057 5.872 -2.872
131 HD11 LEU 18 1HD1 LEU 18 -2.835 6.355 -4.443
132 HD12 LEU 18 2HD1 LEU 18 -1.325 6.003 -5.282
133 HD13 LEU 18 3HD1 LEU 18 -1.883 7.670 -5.135
134 HD21 LEU 18 1HD2 LEU 18 0.376 8.272 -4.014
135 HD22 LEU 18 2HD2 LEU 18 0.823 6.593 -4.302
136 HD23 LEU 18 3HD2 LEU 18 0.925 7.263 -2.674
137 H ALA 19 H ALA 19 -3.041 7.512 0.527
138 HA ALA 19 HA ALA 19 -4.089 10.096 0.960
139 HB1 ALA 19 1HB ALA 19 -5.457 9.036 2.693
140 HB2 ALA 19 2HB ALA 19 -4.427 7.607 2.635
141 HB3 ALA 19 3HB ALA 19 -5.408 8.037 1.238
142 H LYS 20 H LYS 20 -1.895 8.056 2.815
143 HA LYS 20 HA LYS 20 -1.626 9.874 4.995
144 HB2 LYS 20 2HB LYS 20 0.296 7.716 4.109
145 HB3 LYS 20 1HB LYS 20 0.312 8.527 5.668
146 HG2 LYS 20 2HG LYS 20 -1.911 7.564 6.155
147 HG3 LYS 20 1HG LYS 20 -1.863 6.730 4.606
148 HD2 LYS 20 2HD LYS 20 -1.202 5.151 6.240
149 HD3 LYS 20 1HD LYS 20 0.265 5.628 5.391
150 HE2 LYS 20 2HE LYS 20 0.731 5.532 7.754
151 HE3 LYS 20 1HE LYS 20 0.740 7.214 7.230
152 HZ1 LYS 20 1HZ LYS 20 -0.423 6.933 9.320
153 HZ2 LYS 20 2HZ LYS 20 -1.524 5.876 8.605
154 HZ3 LYS 20 3HZ LYS 20 -1.477 7.484 8.135
155 H GLY 21 H GLY 21 -0.099 9.544 1.922
156 HA2 GLY 21 2HA GLY 21 0.739 11.594 0.902
157 HA3 GLY 21 1HA GLY 21 1.364 12.055 2.480
158 H PHE 22 H PHE 22 1.609 8.856 1.200
159 HA PHE 22 HA PHE 22 4.470 8.983 1.389
160 HB2 PHE 22 2HB PHE 22 2.452 6.864 1.225
161 HB3 PHE 22 1HB PHE 22 4.006 6.423 0.556
162 HD1 PHE 22 1HD PHE 22 6.029 6.838 1.976
163 HD2 PHE 22 2HD PHE 22 2.064 6.802 3.492
164 HE1 PHE 22 1HE PHE 22 6.908 6.407 4.145
165 HE2 PHE 22 2HE PHE 22 2.939 6.358 5.748
166 HZ PHE 22 HZ PHE 22 5.374 6.161 6.097
167 H ARG 23 H ARG 23 5.833 8.071 -0.225
168 HA ARG 23 HA ARG 23 5.435 9.242 -2.791
169 HB2 ARG 23 2HB ARG 23 7.473 7.127 -2.128
170 HB3 ARG 23 1HB ARG 23 7.595 8.427 -3.300
171 HG2 ARG 23 2HG ARG 23 7.724 10.050 -1.487
172 HG3 ARG 23 1HG ARG 23 7.610 8.733 -0.315
173 HD2 ARG 23 2HD ARG 23 9.896 9.193 -0.475
174 HD3 ARG 23 1HD ARG 23 9.658 7.763 -1.472
175 HE ARG 23 HE ARG 23 9.853 10.488 -2.526
176 HH11 ARG 23 1HH1 ARG 23 10.388 7.007 -3.002
177 HH12 ARG 23 2HH1 ARG 23 11.546 7.237 -4.216
178 HH21 ARG 23 1HH2 ARG 23 11.435 10.754 -4.292
179 HH22 ARG 23 2HH2 ARG 23 12.088 9.350 -4.998
180 H GLY 24 H GLY 24 4.711 6.246 -1.285
181 HA2 GLY 24 2HA GLY 24 3.003 5.294 -3.152
182 HA3 GLY 24 1HA GLY 24 4.582 4.706 -3.661
183 H GLY 25 H GLY 25 2.672 2.951 -3.059
184 HA2 GLY 25 2HA GLY 25 3.643 1.740 -0.614
185 HA3 GLY 25 1HA GLY 25 1.922 2.056 -0.754
186 H TRP 26 H TRP 26 3.163 -0.489 -0.508
187 HA TRP 26 HA TRP 26 1.929 -1.813 -2.707
188 HB2 TRP 26 2HB TRP 26 3.861 -2.888 -3.662
189 HB3 TRP 26 1HB TRP 26 4.159 -1.161 -3.679
190 HD1 TRP 26 HD TRP 26 5.914 -4.258 -3.028
191 HE1 TRP 26 1HE TRP 26 8.037 -3.890 -1.579
192 HE3 TRP 26 3HE TRP 26 4.953 0.409 -1.255
193 HZ2 TRP 26 2HZ TRP 26 9.122 -1.926 0.066
194 HZ3 TRP 26 3HZ TRP 26 6.538 1.476 0.255
195 HH2 TRP 26 HH TRP 26 8.613 0.332 0.903
196 H CYS 27 H CYS 27 1.385 -3.812 -2.124
197 HA CYS 27 HA CYS 27 2.158 -4.807 0.465
198 HB2 CYS 27 2HB CYS 27 0.505 -5.990 -1.761
199 HB3 CYS 27 1HB CYS 27 0.749 -6.732 -0.181
200 H ASP 28 H ASP 28 3.888 -6.035 0.715
201 HA ASP 28 HA ASP 28 5.224 -6.847 -1.764
202 HB2 ASP 28 2HB ASP 28 7.262 -7.074 -0.556
203 HB3 ASP 28 1HB ASP 28 6.490 -5.646 0.107
204 H SER 29 H SER 29 6.668 -9.085 -1.045
205 HA SER 29 HA SER 29 4.941 -11.172 -1.578
206 HB2 SER 29 2HB SER 29 7.588 -11.432 -0.185
207 HB3 SER 29 1HB SER 29 6.858 -12.529 -1.351
208 HG SER 29 HG SER 29 8.547 -11.087 -2.108
209 H ARG 30 H ARG 30 5.742 -9.710 1.435
210 HA ARG 30 HA ARG 30 5.064 -11.847 3.214
211 HB2 ARG 30 2HB ARG 30 5.325 -8.882 3.565
212 HB3 ARG 30 1HB ARG 30 4.985 -9.987 4.881
213 HG2 ARG 30 2HG ARG 30 7.096 -10.905 4.822
214 HG3 ARG 30 1HG ARG 30 7.389 -10.376 3.161
215 HD2 ARG 30 2HD ARG 30 8.631 -9.061 4.855
216 HD3 ARG 30 1HD ARG 30 7.560 -8.093 3.851
217 HE ARG 30 HE ARG 30 6.898 -8.957 6.581
218 HH11 ARG 30 1HH1 ARG 30 6.565 -6.562 3.990
219 HH12 ARG 30 2HH1 ARG 30 6.249 -5.251 5.018
220 HH21 ARG 30 1HH2 ARG 30 6.291 -7.197 7.998
221 HH22 ARG 30 2HH2 ARG 30 6.056 -5.628 7.384
222 H LYS 31 H LYS 31 3.140 -9.912 1.215
223 HA LYS 31 HA LYS 31 0.920 -9.454 1.061
224 HB2 LYS 31 2HB LYS 31 0.698 -11.426 3.360
225 HB3 LYS 31 1HB LYS 31 -0.692 -10.696 2.579
226 HG2 LYS 31 2HG LYS 31 1.334 -12.379 1.130
227 HG3 LYS 31 1HG LYS 31 -0.127 -13.035 1.868
228 HD2 LYS 31 2HD LYS 31 -1.458 -11.467 0.443
229 HD3 LYS 31 1HD LYS 31 0.043 -11.004 -0.362
230 HE2 LYS 31 2HE LYS 31 0.389 -13.240 -1.152
231 HE3 LYS 31 1HE LYS 31 -0.962 -13.839 -0.195
232 HZ1 LYS 31 1HZ LYS 31 -1.598 -13.612 -2.475
233 HZ2 LYS 31 2HZ LYS 31 -1.162 -12.012 -2.554
234 HZ3 LYS 31 3HZ LYS 31 -2.454 -12.501 -1.561
235 H VAL 32 H VAL 32 2.798 -8.057 2.816
236 HA VAL 32 HA VAL 32 0.923 -6.759 4.667
237 HB VAL 32 HB VAL 32 3.963 -6.789 4.732
238 HG11 VAL 32 1HG1 VAL 32 3.047 -4.704 5.628
239 HG12 VAL 32 2HG1 VAL 32 3.773 -5.684 6.902
240 HG13 VAL 32 3HG1 VAL 32 2.019 -5.625 6.729
241 HG21 VAL 32 1HG2 VAL 32 3.037 -8.950 5.372
242 HG22 VAL 32 2HG2 VAL 32 1.985 -8.165 6.548
243 HG23 VAL 32 3HG2 VAL 32 3.735 -8.133 6.770
244 H CYS 33 H CYS 33 0.570 -4.701 4.512
245 HA CYS 33 HA CYS 33 1.200 -3.310 2.128
246 HB2 CYS 33 2HB CYS 33 -0.434 -2.714 4.587
247 HB3 CYS 33 1HB CYS 33 0.058 -1.411 3.503
248 H ASN 34 H ASN 34 2.984 -2.229 1.782
249 HA ASN 34 HA ASN 34 4.365 -1.013 4.082
250 HB2 ASN 34 2HB ASN 34 5.595 -1.787 1.427
251 HB3 ASN 34 1HB ASN 34 6.433 -1.184 2.841
252 HD21 ASN 34 1HD2 ASN 34 5.051 -3.837 1.280
253 HD22 ASN 34 2HD2 ASN 34 5.591 -5.095 2.333
254 H CYS 35 H CYS 35 4.288 1.151 3.970
255 HA CYS 35 HA CYS 35 4.132 2.415 1.298
256 HB2 CYS 35 2HB CYS 35 3.368 3.623 3.974
257 HB3 CYS 35 1HB CYS 35 3.043 4.286 2.384
258 H ARG 36 H ARG 36 5.932 3.484 0.698
259 HA ARG 36 HA ARG 36 7.590 4.955 2.403
260 HB2 ARG 36 2HB ARG 36 8.108 2.799 3.493
261 HB3 ARG 36 1HB ARG 36 8.653 2.161 1.956
262 HG2 ARG 36 2HG ARG 36 10.464 3.771 1.898
263 HG3 ARG 36 1HG ARG 36 9.919 4.460 3.430
264 HD2 ARG 36 2HD ARG 36 10.820 1.609 3.015
265 HD3 ARG 36 1HD ARG 36 11.811 2.890 3.710
266 HE ARG 36 HE ARG 36 9.652 2.924 5.289
267 HH11 ARG 36 1HH1 ARG 36 11.743 0.222 4.265
268 HH12 ARG 36 2HH1 ARG 36 11.490 -0.646 5.714
269 HH21 ARG 36 1HH2 ARG 36 9.374 1.696 7.250
270 HH22 ARG 36 2HH2 ARG 36 10.157 0.187 7.409
271 H ARG 37 H ARG 37 7.726 2.681 -0.286
272 HA ARG 37 HA ARG 37 10.039 3.741 -1.380
273 HB2 ARG 37 2HB ARG 37 9.767 2.155 -3.170
274 HB3 ARG 37 1HB ARG 37 9.191 1.477 -1.640
275 HG2 ARG 37 2HG ARG 37 7.009 1.602 -2.225
276 HG3 ARG 37 1HG ARG 37 7.311 2.592 -3.664
277 HD2 ARG 37 2HD ARG 37 8.151 -0.276 -3.187
278 HD3 ARG 37 1HD ARG 37 6.880 0.258 -4.280
279 HE ARG 37 HE ARG 37 9.061 1.565 -5.168
280 HH11 ARG 37 1HH1 ARG 37 8.411 -1.864 -4.502
281 HH12 ARG 37 2HH1 ARG 37 9.461 -2.440 -5.701
282 HH21 ARG 37 1HH2 ARG 37 10.563 0.741 -6.824
283 HH22 ARG 37 2HH2 ARG 37 10.687 -0.954 -7.027
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -9.674 -1.418 5.038
2 H2 GLY 1 2HT GLY 1 -10.123 -1.781 6.620
3 H3 GLY 1 3HT GLY 1 -9.692 -3.022 5.549
4 HA2 GLY 1 1HA GLY 1 -7.868 -0.909 6.509
5 HA3 GLY 1 2HA GLY 1 -7.911 -2.572 7.090
6 H ILE 2 H ILE 2 -5.601 -1.557 6.026
7 HA ILE 2 HA ILE 2 -5.426 -2.223 3.265
8 HB ILE 2 HB ILE 2 -2.921 -2.064 3.626
9 HG12 ILE 2 2HG1 ILE 2 -3.791 -1.144 6.380
10 HG13 ILE 2 1HG1 ILE 2 -2.860 -2.592 6.031
11 HG21 ILE 2 1HG2 ILE 2 -4.604 0.299 4.396
12 HG22 ILE 2 2HG2 ILE 2 -4.246 -0.237 2.758
13 HG23 ILE 2 3HG2 ILE 2 -2.950 0.366 3.793
14 HD11 ILE 2 1HD1 ILE 2 -1.014 -1.182 5.227
15 HD12 ILE 2 2HD1 ILE 2 -1.441 -0.832 6.900
16 HD13 ILE 2 3HD1 ILE 2 -1.965 0.252 5.611
17 H THR 3 H THR 3 -5.306 -4.076 2.421
18 HA THR 3 HA THR 3 -4.326 -6.396 3.905
19 HB THR 3 HB THR 3 -6.859 -6.162 2.288
20 HG1 THR 3 1HG THR 3 -7.428 -5.247 4.138
21 HG21 THR 3 1HG2 THR 3 -5.798 -8.452 3.963
22 HG22 THR 3 2HG2 THR 3 -5.910 -8.418 2.204
23 HG23 THR 3 3HG2 THR 3 -7.379 -8.423 3.182
24 H CYS 4 H CYS 4 -3.607 -8.063 2.319
25 HA CYS 4 HA CYS 4 -3.209 -6.853 -0.286
26 HB2 CYS 4 2HB CYS 4 -1.454 -8.827 1.152
27 HB3 CYS 4 1HB CYS 4 -1.188 -8.177 -0.464
28 H ASP 5 H ASP 5 -4.935 -7.597 -1.293
29 HA ASP 5 HA ASP 5 -5.434 -10.478 -1.368
30 HB2 ASP 5 2HB ASP 5 -7.382 -8.902 -1.317
31 HB3 ASP 5 1HB ASP 5 -6.818 -8.207 -2.835
32 H LEU 6 H LEU 6 -4.270 -7.757 -3.146
33 HA LEU 6 HA LEU 6 -3.267 -9.512 -5.246
34 HB2 LEU 6 2HB LEU 6 -3.756 -6.535 -5.303
35 HB3 LEU 6 1HB LEU 6 -3.246 -7.542 -6.640
36 HG LEU 6 HG LEU 6 -5.938 -7.667 -5.289
37 HD11 LEU 6 1HD1 LEU 6 -5.157 -6.574 -7.984
38 HD12 LEU 6 2HD1 LEU 6 -5.592 -5.618 -6.571
39 HD13 LEU 6 3HD1 LEU 6 -6.792 -6.662 -7.324
40 HD21 LEU 6 1HD2 LEU 6 -4.875 -9.084 -7.727
41 HD22 LEU 6 2HD2 LEU 6 -6.544 -9.134 -7.157
42 HD23 LEU 6 3HD2 LEU 6 -5.255 -9.825 -6.174
43 H ILE 7 H ILE 7 -1.183 -8.841 -5.968
44 HA ILE 7 HA ILE 7 0.430 -7.436 -3.939
45 HB ILE 7 HB ILE 7 1.370 -9.463 -6.004
46 HG12 ILE 7 2HG1 ILE 7 1.057 -9.760 -3.006
47 HG13 ILE 7 1HG1 ILE 7 0.016 -10.491 -4.220
48 HG21 ILE 7 1HG2 ILE 7 3.090 -7.807 -5.471
49 HG22 ILE 7 2HG2 ILE 7 3.520 -9.386 -4.815
50 HG23 ILE 7 3HG2 ILE 7 2.886 -8.134 -3.748
51 HD11 ILE 7 1HD1 ILE 7 1.600 -12.096 -3.326
52 HD12 ILE 7 2HD1 ILE 7 2.935 -11.050 -3.825
53 HD13 ILE 7 3HD1 ILE 7 1.900 -11.798 -5.043
54 H GLY 8 H GLY 8 1.096 -5.500 -4.568
55 HA2 GLY 8 2HA GLY 8 1.889 -3.779 -5.902
56 HA3 GLY 8 1HA GLY 8 2.004 -4.916 -7.234
57 H ASN 9 H ASN 9 -0.691 -5.679 -7.208
58 HA ASN 9 HA ASN 9 -1.845 -3.460 -8.721
59 HB2 ASN 9 2HB ASN 9 -2.881 -6.279 -8.285
60 HB3 ASN 9 1HB ASN 9 -3.545 -5.118 -9.419
61 HD21 ASN 9 1HD2 ASN 9 -2.570 -7.756 -9.961
62 HD22 ASN 9 2HD2 ASN 9 -1.260 -7.576 -11.059
63 H GLU 10 H GLU 10 -1.658 -4.215 -5.705
64 HA GLU 10 HA GLU 10 -4.347 -4.213 -4.778
65 HB2 GLU 10 2HB GLU 10 -2.517 -5.525 -3.764
66 HB3 GLU 10 1HB GLU 10 -1.702 -4.036 -3.339
67 HG2 GLU 10 2HG GLU 10 -2.832 -5.092 -1.498
68 HG3 GLU 10 1HG GLU 10 -3.414 -3.457 -1.839
69 H ARG 11 H ARG 11 -4.663 -2.203 -5.960
70 HA ARG 11 HA ARG 11 -3.386 0.238 -5.298
71 HB2 ARG 11 2HB ARG 11 -4.689 -0.345 -7.413
72 HB3 ARG 11 1HB ARG 11 -6.125 0.048 -6.479
73 HG2 ARG 11 2HG ARG 11 -4.389 2.181 -6.065
74 HG3 ARG 11 1HG ARG 11 -4.271 1.809 -7.783
75 HD2 ARG 11 2HD ARG 11 -6.031 3.391 -7.517
76 HD3 ARG 11 1HD ARG 11 -6.765 1.823 -7.852
77 HE ARG 11 HE ARG 11 -6.419 2.560 -5.088
78 HH11 ARG 11 1HH1 ARG 11 -8.611 2.176 -7.845
79 HH12 ARG 11 2HH1 ARG 11 -10.044 2.381 -6.955
80 HH21 ARG 11 1HH2 ARG 11 -8.502 2.851 -3.808
81 HH22 ARG 11 2HH2 ARG 11 -9.969 2.752 -4.640
82 H LEU 12 H LEU 12 -6.046 -1.467 -3.903
83 HA LEU 12 HA LEU 12 -7.190 0.691 -2.472
84 HB2 LEU 12 2HB LEU 12 -7.176 -2.264 -1.860
85 HB3 LEU 12 1HB LEU 12 -8.180 -1.081 -1.047
86 HG LEU 12 HG LEU 12 -8.349 -1.777 -3.981
87 HD11 LEU 12 1HD1 LEU 12 -10.458 -2.843 -3.371
88 HD12 LEU 12 2HD1 LEU 12 -10.111 -2.531 -1.667
89 HD13 LEU 12 3HD1 LEU 12 -9.071 -3.607 -2.598
90 HD21 LEU 12 1HD2 LEU 12 -9.036 0.516 -3.551
91 HD22 LEU 12 2HD2 LEU 12 -10.081 -0.033 -2.242
92 HD23 LEU 12 3HD2 LEU 12 -10.441 -0.490 -3.907
93 H CYS 13 H CYS 13 -4.353 -1.216 -2.022
94 HA CYS 13 HA CYS 13 -4.011 -0.313 0.691
95 HB2 CYS 13 2HB CYS 13 -3.224 -2.550 0.174
96 HB3 CYS 13 1HB CYS 13 -2.255 -1.931 -1.166
97 H VAL 14 H VAL 14 -2.578 0.171 -2.500
98 HA VAL 14 HA VAL 14 -0.504 1.926 -1.962
99 HB VAL 14 HB VAL 14 -2.334 2.233 -4.328
100 HG11 VAL 14 1HG1 VAL 14 -0.698 3.997 -4.145
101 HG12 VAL 14 2HG1 VAL 14 -0.308 2.965 -5.520
102 HG13 VAL 14 3HG1 VAL 14 0.606 2.817 -4.019
103 HG21 VAL 14 1HG2 VAL 14 -0.941 0.619 -5.520
104 HG22 VAL 14 2HG2 VAL 14 -1.768 -0.097 -4.139
105 HG23 VAL 14 3HG2 VAL 14 -0.045 0.292 -4.030
106 H VAL 15 H VAL 15 -3.912 2.702 -2.549
107 HA VAL 15 HA VAL 15 -3.680 5.474 -2.546
108 HB VAL 15 HB VAL 15 -5.691 4.282 -3.339
109 HG11 VAL 15 1HG1 VAL 15 -5.954 2.628 -1.624
110 HG12 VAL 15 2HG1 VAL 15 -7.434 3.579 -1.780
111 HG13 VAL 15 3HG1 VAL 15 -6.327 3.878 -0.437
112 HG21 VAL 15 1HG2 VAL 15 -5.859 6.659 -2.955
113 HG22 VAL 15 2HG2 VAL 15 -6.204 6.388 -1.249
114 HG23 VAL 15 3HG2 VAL 15 -7.373 5.887 -2.468
115 H HIS 16 H HIS 16 -3.799 3.272 0.150
116 HA HIS 16 HA HIS 16 -4.497 5.168 2.144
117 HB2 HIS 16 2HB HIS 16 -4.726 2.826 2.654
118 HB3 HIS 16 1HB HIS 16 -3.045 2.517 2.259
119 HD1 HIS 16 1HD HIS 16 -5.002 4.499 4.899
120 HD2 HIS 16 2HD HIS 16 -1.465 2.398 4.371
121 HE1 HIS 16 1HE HIS 16 -3.849 4.505 7.144
122 H CYS 17 H CYS 17 -1.483 4.026 0.839
123 HA CYS 17 HA CYS 17 0.172 5.612 2.544
124 HB2 CYS 17 2HB CYS 17 0.771 4.353 -0.125
125 HB3 CYS 17 1HB CYS 17 1.953 4.906 1.061
126 H LEU 18 H LEU 18 -1.239 6.053 -0.656
127 HA LEU 18 HA LEU 18 0.127 8.468 -1.258
128 HB2 LEU 18 2HB LEU 18 -2.580 7.537 -2.225
129 HB3 LEU 18 1HB LEU 18 -1.627 8.815 -2.943
130 HG LEU 18 HG LEU 18 -0.894 5.886 -2.882
131 HD11 LEU 18 1HD1 LEU 18 -2.743 6.357 -4.379
132 HD12 LEU 18 2HD1 LEU 18 -1.283 5.976 -5.293
133 HD13 LEU 18 3HD1 LEU 18 -1.817 7.649 -5.139
134 HD21 LEU 18 1HD2 LEU 18 1.097 7.287 -2.827
135 HD22 LEU 18 2HD2 LEU 18 0.488 8.227 -4.187
136 HD23 LEU 18 3HD2 LEU 18 0.919 6.531 -4.411
137 H ALA 19 H ALA 19 -2.805 7.724 0.506
138 HA ALA 19 HA ALA 19 -3.670 10.422 0.775
139 HB1 ALA 19 1HB ALA 19 -4.436 7.983 2.379
140 HB2 ALA 19 2HB ALA 19 -5.221 8.522 0.896
141 HB3 ALA 19 3HB ALA 19 -5.302 9.519 2.348
142 H LYS 20 H LYS 20 -1.738 8.225 2.710
143 HA LYS 20 HA LYS 20 -1.577 9.946 4.977
144 HB2 LYS 20 2HB LYS 20 0.195 7.654 4.150
145 HB3 LYS 20 1HB LYS 20 0.340 8.506 5.677
146 HG2 LYS 20 2HG LYS 20 -1.962 7.812 6.240
147 HG3 LYS 20 1HG LYS 20 -2.025 6.904 4.730
148 HD2 LYS 20 2HD LYS 20 -1.483 5.364 6.466
149 HD3 LYS 20 1HD LYS 20 -0.029 5.619 5.509
150 HE2 LYS 20 2HE LYS 20 0.526 5.595 7.867
151 HE3 LYS 20 1HE LYS 20 0.774 7.205 7.203
152 HZ1 LYS 20 1HZ LYS 20 -1.318 7.906 8.172
153 HZ2 LYS 20 2HZ LYS 20 -0.322 7.279 9.358
154 HZ3 LYS 20 3HZ LYS 20 -1.601 6.358 8.778
155 H GLY 21 H GLY 21 0.250 9.646 2.065
156 HA2 GLY 21 2HA GLY 21 1.288 11.814 1.369
157 HA3 GLY 21 1HA GLY 21 1.937 11.892 3.004
158 H PHE 22 H PHE 22 1.723 9.103 0.927
159 HA PHE 22 HA PHE 22 4.630 8.968 0.855
160 HB2 PHE 22 2HB PHE 22 2.548 6.921 1.370
161 HB3 PHE 22 1HB PHE 22 3.997 6.336 0.585
162 HD1 PHE 22 1HD PHE 22 6.129 6.654 1.636
163 HD2 PHE 22 2HD PHE 22 2.495 7.477 3.650
164 HE1 PHE 22 1HE PHE 22 7.295 6.527 3.670
165 HE2 PHE 22 2HE PHE 22 3.665 7.357 5.805
166 HZ PHE 22 HZ PHE 22 6.091 6.885 5.850
167 H ARG 23 H ARG 23 5.515 8.006 -0.973
168 HA ARG 23 HA ARG 23 4.189 8.754 -3.390
169 HB2 ARG 23 2HB ARG 23 6.842 7.391 -2.892
170 HB3 ARG 23 1HB ARG 23 6.234 7.825 -4.476
171 HG2 ARG 23 2HG ARG 23 6.881 9.742 -2.245
172 HG3 ARG 23 1HG ARG 23 7.851 9.445 -3.690
173 HD2 ARG 23 2HD ARG 23 5.096 10.666 -3.549
174 HD3 ARG 23 1HD ARG 23 6.593 11.445 -4.055
175 HE ARG 23 HE ARG 23 6.142 9.217 -5.692
176 HH11 ARG 23 1HH1 ARG 23 4.853 12.476 -5.183
177 HH12 ARG 23 2HH1 ARG 23 4.213 12.583 -6.754
178 HH21 ARG 23 1HH2 ARG 23 5.231 9.373 -7.779
179 HH22 ARG 23 2HH2 ARG 23 4.404 10.791 -8.260
180 H GLY 24 H GLY 24 4.369 5.974 -1.421
181 HA2 GLY 24 2HA GLY 24 2.287 4.759 -2.699
182 HA3 GLY 24 1HA GLY 24 3.712 4.186 -3.537
183 H GLY 25 H GLY 25 1.922 2.617 -2.291
184 HA2 GLY 25 2HA GLY 25 3.476 1.500 -0.118
185 HA3 GLY 25 1HA GLY 25 1.719 1.651 -0.021
186 H TRP 26 H TRP 26 3.288 -0.724 -0.017
187 HA TRP 26 HA TRP 26 2.113 -2.058 -2.307
188 HB2 TRP 26 2HB TRP 26 4.174 -2.898 -3.180
189 HB3 TRP 26 1HB TRP 26 4.460 -1.178 -2.947
190 HD1 TRP 26 HD TRP 26 5.866 -4.494 -2.090
191 HE1 TRP 26 1HE TRP 26 7.706 -4.282 -0.290
192 HE3 TRP 26 3HE TRP 26 5.164 0.364 -0.735
193 HZ2 TRP 26 2HZ TRP 26 8.691 -2.422 1.409
194 HZ3 TRP 26 3HZ TRP 26 6.587 1.337 0.991
195 HH2 TRP 26 HH TRP 26 8.367 -0.043 2.072
196 H CYS 27 H CYS 27 2.350 -4.359 -2.026
197 HA CYS 27 HA CYS 27 2.499 -5.167 0.746
198 HB2 CYS 27 2HB CYS 27 1.560 -6.564 -1.744
199 HB3 CYS 27 1HB CYS 27 1.520 -7.248 -0.119
200 H ASP 28 H ASP 28 4.355 -5.949 1.419
201 HA ASP 28 HA ASP 28 6.478 -6.739 -0.364
202 HB2 ASP 28 2HB ASP 28 6.185 -6.730 2.607
203 HB3 ASP 28 1HB ASP 28 7.387 -7.803 1.907
204 H SER 29 H SER 29 7.624 -8.992 0.252
205 HA SER 29 HA SER 29 5.884 -11.014 -0.634
206 HB2 SER 29 2HB SER 29 7.976 -12.448 -0.076
207 HB3 SER 29 1HB SER 29 8.127 -11.206 -1.321
208 HG SER 29 HG SER 29 9.611 -10.342 -0.162
209 H ARG 30 H ARG 30 6.403 -9.698 2.341
210 HA ARG 30 HA ARG 30 5.648 -11.950 3.995
211 HB2 ARG 30 2HB ARG 30 5.852 -8.991 4.561
212 HB3 ARG 30 1HB ARG 30 5.426 -10.190 5.769
213 HG2 ARG 30 2HG ARG 30 7.578 -11.177 5.665
214 HG3 ARG 30 1HG ARG 30 8.011 -10.239 4.236
215 HD2 ARG 30 2HD ARG 30 7.389 -9.087 6.959
216 HD3 ARG 30 1HD ARG 30 9.015 -9.328 6.320
217 HE ARG 30 HE ARG 30 8.251 -7.811 4.462
218 HH11 ARG 30 1HH1 ARG 30 7.142 -7.444 7.805
219 HH12 ARG 30 2HH1 ARG 30 6.787 -5.786 7.659
220 HH21 ARG 30 1HH2 ARG 30 7.736 -5.447 4.274
221 HH22 ARG 30 2HH2 ARG 30 7.118 -4.655 5.633
222 H LYS 31 H LYS 31 4.004 -10.019 1.825
223 HA LYS 31 HA LYS 31 1.881 -9.578 1.325
224 HB2 LYS 31 2HB LYS 31 1.337 -11.709 3.389
225 HB3 LYS 31 1HB LYS 31 0.049 -10.944 2.478
226 HG2 LYS 31 2HG LYS 31 2.344 -12.515 1.308
227 HG3 LYS 31 1HG LYS 31 0.698 -13.109 1.521
228 HD2 LYS 31 2HD LYS 31 1.532 -10.791 -0.240
229 HD3 LYS 31 1HD LYS 31 1.112 -12.411 -0.807
230 HE2 LYS 31 2HE LYS 31 -0.678 -10.465 0.625
231 HE3 LYS 31 1HE LYS 31 -0.704 -10.796 -1.100
232 HZ1 LYS 31 1HZ LYS 31 -1.387 -13.054 -0.597
233 HZ2 LYS 31 2HZ LYS 31 -2.462 -11.940 0.078
234 HZ3 LYS 31 3HZ LYS 31 -1.355 -12.738 1.057
235 H VAL 32 H VAL 32 3.251 -8.092 3.329
236 HA VAL 32 HA VAL 32 0.972 -6.950 4.836
237 HB VAL 32 HB VAL 32 3.918 -6.506 5.355
238 HG11 VAL 32 1HG1 VAL 32 1.500 -5.921 7.055
239 HG12 VAL 32 2HG1 VAL 32 2.493 -4.741 6.199
240 HG13 VAL 32 3HG1 VAL 32 3.177 -5.665 7.537
241 HG21 VAL 32 1HG2 VAL 32 2.075 -8.416 6.783
242 HG22 VAL 32 2HG2 VAL 32 3.729 -8.028 7.266
243 HG23 VAL 32 3HG2 VAL 32 3.426 -8.860 5.740
244 H CYS 33 H CYS 33 0.412 -4.970 4.429
245 HA CYS 33 HA CYS 33 1.504 -3.500 2.270
246 HB2 CYS 33 2HB CYS 33 -0.574 -3.021 4.342
247 HB3 CYS 33 1HB CYS 33 0.021 -1.685 3.371
248 H ASN 34 H ASN 34 2.976 -1.987 2.290
249 HA ASN 34 HA ASN 34 3.784 -0.696 4.815
250 HB2 ASN 34 2HB ASN 34 5.710 -1.553 2.638
251 HB3 ASN 34 1HB ASN 34 6.117 -0.800 4.167
252 HD21 ASN 34 1HD2 ASN 34 5.141 -3.655 2.573
253 HD22 ASN 34 2HD2 ASN 34 5.526 -4.760 3.840
254 H CYS 35 H CYS 35 4.436 1.463 4.470
255 HA CYS 35 HA CYS 35 4.010 2.506 1.734
256 HB2 CYS 35 2HB CYS 35 3.728 3.975 4.374
257 HB3 CYS 35 1HB CYS 35 3.353 4.611 2.781
258 H ARG 36 H ARG 36 5.841 3.308 0.778
259 HA ARG 36 HA ARG 36 7.843 4.790 1.977
260 HB2 ARG 36 2HB ARG 36 8.091 2.614 3.324
261 HB3 ARG 36 1HB ARG 36 8.756 1.935 1.849
262 HG2 ARG 36 2HG ARG 36 10.531 3.560 1.869
263 HG3 ARG 36 1HG ARG 36 9.857 4.299 3.327
264 HD2 ARG 36 2HD ARG 36 11.647 2.832 3.991
265 HD3 ARG 36 1HD ARG 36 10.116 2.116 4.485
266 HE ARG 36 HE ARG 36 11.646 1.290 2.114
267 HH11 ARG 36 1HH1 ARG 36 9.495 0.409 4.830
268 HH12 ARG 36 2HH1 ARG 36 9.595 -1.259 4.485
269 HH21 ARG 36 1HH2 ARG 36 11.746 -1.010 1.730
270 HH22 ARG 36 2HH2 ARG 36 10.865 -2.060 2.732
271 H ARG 37 H ARG 37 6.755 2.725 -0.594
272 HA ARG 37 HA ARG 37 9.107 3.456 -2.161
273 HB2 ARG 37 2HB ARG 37 7.183 1.142 -2.482
274 HB3 ARG 37 1HB ARG 37 8.388 1.574 -3.690
275 HG2 ARG 37 2HG ARG 37 10.147 1.146 -2.029
276 HG3 ARG 37 1HG ARG 37 8.871 0.746 -0.866
277 HD2 ARG 37 2HD ARG 37 9.895 -1.270 -1.919
278 HD3 ARG 37 1HD ARG 37 8.159 -1.132 -2.168
279 HE ARG 37 HE ARG 37 9.715 -0.003 -4.284
280 HH11 ARG 37 1HH1 ARG 37 8.326 -3.046 -3.062
281 HH12 ARG 37 2HH1 ARG 37 8.261 -3.781 -4.605
282 HH21 ARG 37 1HH2 ARG 37 9.559 -1.050 -6.419
283 HH22 ARG 37 2HH2 ARG 37 8.983 -2.633 -6.517
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -9.768 0.145 5.095
2 H2 GLY 1 2HT GLY 1 -10.314 -0.240 6.654
3 H3 GLY 1 3HT GLY 1 -10.172 -1.443 5.472
4 HA2 GLY 1 1HA GLY 1 -7.910 0.072 6.578
5 HA3 GLY 1 2HA GLY 1 -8.380 -1.566 7.041
6 H ILE 2 H ILE 2 -5.897 -1.495 6.163
7 HA ILE 2 HA ILE 2 -5.697 -1.620 3.364
8 HB ILE 2 HB ILE 2 -3.393 -2.512 3.917
9 HG12 ILE 2 2HG1 ILE 2 -4.295 -1.844 6.740
10 HG13 ILE 2 1HG1 ILE 2 -3.861 -3.440 6.141
11 HG21 ILE 2 1HG2 ILE 2 -2.600 -0.313 4.639
12 HG22 ILE 2 2HG2 ILE 2 -4.253 0.134 5.059
13 HG23 ILE 2 3HG2 ILE 2 -3.827 -0.194 3.379
14 HD11 ILE 2 1HD1 ILE 2 -1.581 -2.750 5.885
15 HD12 ILE 2 2HD1 ILE 2 -2.117 -2.336 7.525
16 HD13 ILE 2 3HD1 ILE 2 -2.020 -1.092 6.264
17 H THR 3 H THR 3 -5.436 -3.347 2.094
18 HA THR 3 HA THR 3 -5.964 -5.990 3.203
19 HB THR 3 HB THR 3 -7.123 -4.776 0.696
20 HG1 THR 3 1HG THR 3 -8.173 -5.102 3.319
21 HG21 THR 3 1HG2 THR 3 -6.882 -7.217 0.599
22 HG22 THR 3 2HG2 THR 3 -8.587 -6.779 0.686
23 HG23 THR 3 3HG2 THR 3 -7.756 -7.375 2.122
24 H CYS 4 H CYS 4 -4.736 -7.559 2.040
25 HA CYS 4 HA CYS 4 -3.299 -6.590 -0.294
26 HB2 CYS 4 2HB CYS 4 -2.037 -8.245 1.882
27 HB3 CYS 4 1HB CYS 4 -1.315 -7.747 0.343
28 H ASP 5 H ASP 5 -4.743 -7.665 -1.542
29 HA ASP 5 HA ASP 5 -4.750 -10.579 -1.316
30 HB2 ASP 5 2HB ASP 5 -6.838 -9.393 -1.964
31 HB3 ASP 5 1HB ASP 5 -6.014 -8.763 -3.386
32 H LEU 6 H LEU 6 -3.514 -7.931 -3.102
33 HA LEU 6 HA LEU 6 -1.908 -9.728 -4.737
34 HB2 LEU 6 2HB LEU 6 -2.832 -6.920 -5.296
35 HB3 LEU 6 1HB LEU 6 -1.685 -7.801 -6.280
36 HG LEU 6 HG LEU 6 -4.547 -8.636 -5.820
37 HD11 LEU 6 1HD1 LEU 6 -4.918 -7.897 -8.121
38 HD12 LEU 6 2HD1 LEU 6 -3.259 -7.317 -8.210
39 HD13 LEU 6 3HD1 LEU 6 -4.400 -6.554 -7.102
40 HD21 LEU 6 1HD2 LEU 6 -4.112 -10.181 -7.687
41 HD22 LEU 6 2HD2 LEU 6 -3.076 -10.518 -6.306
42 HD23 LEU 6 3HD2 LEU 6 -2.426 -9.669 -7.707
43 H ILE 7 H ILE 7 0.116 -9.409 -4.845
44 HA ILE 7 HA ILE 7 1.553 -7.700 -3.015
45 HB ILE 7 HB ILE 7 2.544 -9.577 -5.195
46 HG12 ILE 7 2HG1 ILE 7 2.428 -10.013 -2.203
47 HG13 ILE 7 1HG1 ILE 7 1.309 -10.712 -3.367
48 HG21 ILE 7 1HG2 ILE 7 4.073 -8.245 -2.960
49 HG22 ILE 7 2HG2 ILE 7 4.201 -7.868 -4.677
50 HG23 ILE 7 3HG2 ILE 7 4.725 -9.444 -4.076
51 HD11 ILE 7 1HD1 ILE 7 3.023 -12.301 -2.657
52 HD12 ILE 7 2HD1 ILE 7 4.273 -11.214 -3.284
53 HD13 ILE 7 3HD1 ILE 7 3.116 -11.954 -4.384
54 H GLY 8 H GLY 8 2.209 -5.736 -3.575
55 HA2 GLY 8 2HA GLY 8 2.941 -3.901 -4.824
56 HA3 GLY 8 1HA GLY 8 3.175 -5.009 -6.152
57 H ASN 9 H ASN 9 0.520 -5.768 -6.507
58 HA ASN 9 HA ASN 9 -0.320 -3.532 -8.176
59 HB2 ASN 9 2HB ASN 9 -1.358 -6.360 -7.918
60 HB3 ASN 9 1HB ASN 9 -1.966 -5.189 -9.077
61 HD21 ASN 9 1HD2 ASN 9 -1.412 -6.602 -10.736
62 HD22 ASN 9 2HD2 ASN 9 0.224 -6.786 -11.255
63 H GLU 10 H GLU 10 -0.848 -4.476 -5.189
64 HA GLU 10 HA GLU 10 -3.625 -4.339 -4.930
65 HB2 GLU 10 2HB GLU 10 -2.367 -5.732 -3.515
66 HB3 GLU 10 1HB GLU 10 -1.382 -4.416 -2.930
67 HG2 GLU 10 2HG GLU 10 -2.969 -5.000 -1.318
68 HG3 GLU 10 1HG GLU 10 -3.346 -3.412 -2.018
69 H ARG 11 H ARG 11 -4.016 -2.570 -5.840
70 HA ARG 11 HA ARG 11 -3.339 0.087 -5.444
71 HB2 ARG 11 2HB ARG 11 -6.153 -0.893 -5.901
72 HB3 ARG 11 1HB ARG 11 -5.539 0.707 -6.241
73 HG2 ARG 11 2HG ARG 11 -4.711 -1.833 -7.653
74 HG3 ARG 11 1HG ARG 11 -5.840 -0.633 -8.267
75 HD2 ARG 11 2HD ARG 11 -3.849 -0.121 -9.366
76 HD3 ARG 11 1HD ARG 11 -3.884 1.018 -8.025
77 HE ARG 11 HE ARG 11 -2.458 -1.461 -7.613
78 HH11 ARG 11 1HH1 ARG 11 -2.266 1.987 -8.395
79 HH12 ARG 11 2HH1 ARG 11 -0.585 2.116 -8.166
80 HH21 ARG 11 1HH2 ARG 11 -0.023 -1.270 -7.323
81 HH22 ARG 11 2HH2 ARG 11 0.672 0.261 -7.569
82 H LEU 12 H LEU 12 -5.406 -1.940 -3.418
83 HA LEU 12 HA LEU 12 -6.540 0.171 -1.906
84 HB2 LEU 12 2HB LEU 12 -6.327 -2.764 -1.304
85 HB3 LEU 12 1HB LEU 12 -7.271 -1.622 -0.368
86 HG LEU 12 HG LEU 12 -7.742 -2.351 -3.257
87 HD11 LEU 12 1HD1 LEU 12 -9.774 -3.391 -2.416
88 HD12 LEU 12 2HD1 LEU 12 -9.294 -2.992 -0.765
89 HD13 LEU 12 3HD1 LEU 12 -8.331 -4.123 -1.713
90 HD21 LEU 12 1HD2 LEU 12 -9.792 -1.022 -3.022
91 HD22 LEU 12 2HD2 LEU 12 -8.351 -0.034 -2.841
92 HD23 LEU 12 3HD2 LEU 12 -9.276 -0.513 -1.414
93 H CYS 13 H CYS 13 -3.528 -1.391 -1.767
94 HA CYS 13 HA CYS 13 -3.044 -0.515 0.954
95 HB2 CYS 13 2HB CYS 13 -2.025 -2.577 0.317
96 HB3 CYS 13 1HB CYS 13 -1.353 -1.878 -1.144
97 H VAL 14 H VAL 14 -2.136 0.229 -2.339
98 HA VAL 14 HA VAL 14 -0.272 2.245 -2.003
99 HB VAL 14 HB VAL 14 -2.405 2.236 -4.127
100 HG11 VAL 14 1HG1 VAL 14 -0.682 3.316 -5.513
101 HG12 VAL 14 2HG1 VAL 14 0.410 3.291 -4.117
102 HG13 VAL 14 3HG1 VAL 14 -1.068 4.239 -4.053
103 HG21 VAL 14 1HG2 VAL 14 0.196 0.711 -4.088
104 HG22 VAL 14 2HG2 VAL 14 -0.889 0.839 -5.473
105 HG23 VAL 14 3HG2 VAL 14 -1.419 0.012 -4.008
106 H VAL 15 H VAL 15 -3.797 2.513 -2.270
107 HA VAL 15 HA VAL 15 -3.958 5.294 -2.102
108 HB VAL 15 HB VAL 15 -5.764 3.828 -2.907
109 HG11 VAL 15 1HG1 VAL 15 -7.324 2.766 -1.360
110 HG12 VAL 15 2HG1 VAL 15 -6.232 3.177 -0.033
111 HG13 VAL 15 3HG1 VAL 15 -5.699 2.076 -1.299
112 HG21 VAL 15 1HG2 VAL 15 -6.340 6.115 -2.404
113 HG22 VAL 15 2HG2 VAL 15 -6.577 5.716 -0.712
114 HG23 VAL 15 3HG2 VAL 15 -7.679 5.070 -1.926
115 H HIS 16 H HIS 16 -3.507 2.955 0.422
116 HA HIS 16 HA HIS 16 -4.329 4.654 2.588
117 HB2 HIS 16 2HB HIS 16 -4.284 2.236 2.987
118 HB3 HIS 16 1HB HIS 16 -2.600 2.145 2.526
119 HD1 HIS 16 1HD HIS 16 -4.786 3.392 5.367
120 HD2 HIS 16 2HD HIS 16 -0.813 2.568 4.494
121 HE1 HIS 16 1HE HIS 16 -3.570 3.486 7.548
122 H CYS 17 H CYS 17 -1.329 3.807 1.046
123 HA CYS 17 HA CYS 17 0.358 5.403 2.697
124 HB2 CYS 17 2HB CYS 17 0.781 4.369 -0.093
125 HB3 CYS 17 1HB CYS 17 2.024 4.849 1.063
126 H LEU 18 H LEU 18 -1.418 5.934 -0.278
127 HA LEU 18 HA LEU 18 -0.299 8.498 -0.782
128 HB2 LEU 18 2HB LEU 18 -2.948 7.360 -1.676
129 HB3 LEU 18 1HB LEU 18 -2.195 8.805 -2.319
130 HG LEU 18 HG LEU 18 -1.136 5.994 -2.563
131 HD11 LEU 18 1HD1 LEU 18 -1.604 6.268 -4.942
132 HD12 LEU 18 2HD1 LEU 18 -2.328 7.840 -4.611
133 HD13 LEU 18 3HD1 LEU 18 -3.064 6.374 -3.961
134 HD21 LEU 18 1HD2 LEU 18 0.697 7.581 -2.410
135 HD22 LEU 18 2HD2 LEU 18 -0.044 8.585 -3.654
136 HD23 LEU 18 3HD2 LEU 18 0.550 6.972 -4.056
137 H ALA 19 H ALA 19 -3.018 7.361 1.135
138 HA ALA 19 HA ALA 19 -4.068 9.922 1.722
139 HB1 ALA 19 1HB ALA 19 -5.225 8.805 3.575
140 HB2 ALA 19 2HB ALA 19 -4.242 7.360 3.309
141 HB3 ALA 19 3HB ALA 19 -5.366 7.913 2.063
142 H LYS 20 H LYS 20 -1.682 7.878 3.309
143 HA LYS 20 HA LYS 20 -1.254 9.672 5.461
144 HB2 LYS 20 2HB LYS 20 0.334 7.357 4.422
145 HB3 LYS 20 1HB LYS 20 0.967 8.368 5.708
146 HG2 LYS 20 2HG LYS 20 -1.102 7.870 7.005
147 HG3 LYS 20 1HG LYS 20 -1.552 6.725 5.740
148 HD2 LYS 20 2HD LYS 20 0.404 5.397 6.169
149 HD3 LYS 20 1HD LYS 20 1.034 6.603 7.294
150 HE2 LYS 20 2HE LYS 20 -1.514 5.026 7.657
151 HE3 LYS 20 1HE LYS 20 0.016 4.662 8.440
152 HZ1 LYS 20 1HZ LYS 20 -1.528 7.176 8.782
153 HZ2 LYS 20 2HZ LYS 20 -0.098 6.787 9.591
154 HZ3 LYS 20 3HZ LYS 20 -1.503 5.906 9.877
155 H GLY 21 H GLY 21 0.177 9.434 2.311
156 HA2 GLY 21 2HA GLY 21 0.975 11.571 1.393
157 HA3 GLY 21 1HA GLY 21 1.691 11.894 2.971
158 H PHE 22 H PHE 22 1.688 8.981 1.082
159 HA PHE 22 HA PHE 22 4.609 8.983 1.060
160 HB2 PHE 22 2HB PHE 22 2.525 6.892 1.262
161 HB3 PHE 22 1HB PHE 22 3.981 6.391 0.448
162 HD1 PHE 22 1HD PHE 22 2.425 7.320 3.583
163 HD2 PHE 22 2HD PHE 22 6.028 6.362 1.590
164 HE1 PHE 22 1HE PHE 22 3.488 6.834 5.746
165 HE2 PHE 22 2HE PHE 22 7.101 5.874 3.626
166 HZ PHE 22 HZ PHE 22 5.848 6.102 5.810
167 H ARG 23 H ARG 23 5.567 7.995 -0.839
168 HA ARG 23 HA ARG 23 4.592 8.939 -3.312
169 HB2 ARG 23 2HB ARG 23 6.739 7.051 -2.491
170 HB3 ARG 23 1HB ARG 23 6.172 6.961 -4.146
171 HG2 ARG 23 2HG ARG 23 8.139 8.341 -3.968
172 HG3 ARG 23 1HG ARG 23 6.744 9.288 -4.479
173 HD2 ARG 23 2HD ARG 23 6.504 10.116 -2.187
174 HD3 ARG 23 1HD ARG 23 7.915 9.164 -1.711
175 HE ARG 23 HE ARG 23 8.527 10.819 -3.897
176 HH11 ARG 23 1HH1 ARG 23 7.890 11.079 -0.443
177 HH12 ARG 23 2HH1 ARG 23 8.980 12.356 -0.183
178 HH21 ARG 23 1HH2 ARG 23 9.955 12.566 -3.591
179 HH22 ARG 23 2HH2 ARG 23 10.160 13.277 -2.038
180 H GLY 24 H GLY 24 4.178 6.004 -1.515
181 HA2 GLY 24 2HA GLY 24 1.781 5.284 -2.513
182 HA3 GLY 24 1HA GLY 24 2.935 4.603 -3.657
183 H GLY 25 H GLY 25 1.925 2.609 -2.822
184 HA2 GLY 25 2HA GLY 25 3.471 1.623 -0.620
185 HA3 GLY 25 1HA GLY 25 1.729 1.663 -0.381
186 H TRP 26 H TRP 26 3.187 -0.643 -0.362
187 HA TRP 26 HA TRP 26 1.886 -2.040 -2.499
188 HB2 TRP 26 2HB TRP 26 3.844 -3.034 -3.480
189 HB3 TRP 26 1HB TRP 26 4.106 -1.293 -3.489
190 HD1 TRP 26 HD TRP 26 5.743 -4.458 -2.712
191 HE1 TRP 26 1HE TRP 26 7.863 -4.113 -1.303
192 HE3 TRP 26 3HE TRP 26 5.007 0.377 -1.317
193 HZ2 TRP 26 2HZ TRP 26 9.037 -2.091 0.209
194 HZ3 TRP 26 3HZ TRP 26 6.642 1.463 0.135
195 HH2 TRP 26 HH TRP 26 8.655 0.242 0.890
196 H CYS 27 H CYS 27 1.228 -3.922 -1.738
197 HA CYS 27 HA CYS 27 2.173 -4.887 0.772
198 HB2 CYS 27 2HB CYS 27 0.387 -6.153 -1.309
199 HB3 CYS 27 1HB CYS 27 0.673 -6.784 0.313
200 H ASP 28 H ASP 28 3.852 -6.156 1.020
201 HA ASP 28 HA ASP 28 5.240 -6.989 -1.421
202 HB2 ASP 28 2HB ASP 28 7.238 -7.322 -0.089
203 HB3 ASP 28 1HB ASP 28 6.470 -5.856 0.455
204 H SER 29 H SER 29 6.624 -9.269 -0.647
205 HA SER 29 HA SER 29 4.759 -11.246 -1.274
206 HB2 SER 29 2HB SER 29 7.518 -11.659 -0.123
207 HB3 SER 29 1HB SER 29 6.611 -12.747 -1.172
208 HG SER 29 HG SER 29 7.210 -11.645 -2.853
209 H ARG 30 H ARG 30 5.700 -9.983 1.818
210 HA ARG 30 HA ARG 30 4.748 -12.248 3.355
211 HB2 ARG 30 2HB ARG 30 5.347 -9.404 4.169
212 HB3 ARG 30 1HB ARG 30 4.994 -10.714 5.280
213 HG2 ARG 30 2HG ARG 30 7.040 -11.787 4.792
214 HG3 ARG 30 1HG ARG 30 7.340 -10.736 3.398
215 HD2 ARG 30 2HD ARG 30 7.244 -9.916 6.301
216 HD3 ARG 30 1HD ARG 30 8.686 -10.025 5.283
217 HE ARG 30 HE ARG 30 7.063 -8.374 3.904
218 HH11 ARG 30 1HH1 ARG 30 8.421 -8.259 7.180
219 HH12 ARG 30 2HH1 ARG 30 8.279 -6.572 7.321
220 HH21 ARG 30 1HH2 ARG 30 6.841 -6.145 4.100
221 HH22 ARG 30 2HH2 ARG 30 7.388 -5.287 5.483
222 H LYS 31 H LYS 31 3.247 -9.947 1.518
223 HA LYS 31 HA LYS 31 1.203 -9.111 1.266
224 HB2 LYS 31 2HB LYS 31 0.480 -11.260 3.263
225 HB3 LYS 31 1HB LYS 31 -0.728 -10.225 2.515
226 HG2 LYS 31 2HG LYS 31 1.142 -12.067 1.026
227 HG3 LYS 31 1HG LYS 31 -0.535 -12.433 1.432
228 HD2 LYS 31 2HD LYS 31 -1.266 -10.490 0.099
229 HD3 LYS 31 1HD LYS 31 0.412 -10.156 -0.325
230 HE2 LYS 31 2HE LYS 31 -0.702 -11.333 -2.131
231 HE3 LYS 31 1HE LYS 31 0.565 -12.334 -1.431
232 HZ1 LYS 31 1HZ LYS 31 -1.195 -13.522 -0.174
233 HZ2 LYS 31 2HZ LYS 31 -1.409 -13.631 -1.829
234 HZ3 LYS 31 3HZ LYS 31 -2.363 -12.598 -0.949
235 H VAL 32 H VAL 32 3.016 -7.973 3.089
236 HA VAL 32 HA VAL 32 1.312 -6.663 5.075
237 HB VAL 32 HB VAL 32 4.312 -6.482 4.582
238 HG11 VAL 32 1HG1 VAL 32 3.434 -4.432 5.595
239 HG12 VAL 32 2HG1 VAL 32 4.452 -5.325 6.724
240 HG13 VAL 32 3HG1 VAL 32 2.699 -5.385 6.888
241 HG21 VAL 32 1HG2 VAL 32 2.805 -7.904 6.765
242 HG22 VAL 32 2HG2 VAL 32 4.561 -7.784 6.622
243 HG23 VAL 32 3HG2 VAL 32 3.632 -8.670 5.410
244 H CYS 33 H CYS 33 0.651 -4.581 4.729
245 HA CYS 33 HA CYS 33 1.129 -3.329 2.183
246 HB2 CYS 33 2HB CYS 33 -1.128 -3.042 3.568
247 HB3 CYS 33 1HB CYS 33 -0.119 -2.123 4.646
248 H ASN 34 H ASN 34 3.065 -2.357 1.843
249 HA ASN 34 HA ASN 34 4.404 -1.008 4.113
250 HB2 ASN 34 2HB ASN 34 5.633 -1.803 1.462
251 HB3 ASN 34 1HB ASN 34 6.471 -1.216 2.886
252 HD21 ASN 34 1HD2 ASN 34 5.010 -3.860 1.331
253 HD22 ASN 34 2HD2 ASN 34 5.529 -5.098 2.438
254 H CYS 35 H CYS 35 4.967 1.162 3.825
255 HA CYS 35 HA CYS 35 4.051 2.356 1.302
256 HB2 CYS 35 2HB CYS 35 4.116 3.646 4.048
257 HB3 CYS 35 1HB CYS 35 3.574 4.389 2.562
258 H ARG 36 H ARG 36 5.433 3.423 0.136
259 HA ARG 36 HA ARG 36 7.511 5.076 0.857
260 HB2 ARG 36 2HB ARG 36 8.656 3.121 1.870
261 HB3 ARG 36 1HB ARG 36 8.527 2.266 0.341
262 HG2 ARG 36 2HG ARG 36 9.952 4.033 -0.678
263 HG3 ARG 36 1HG ARG 36 10.188 4.692 0.943
264 HD2 ARG 36 2HD ARG 36 11.136 2.562 1.677
265 HD3 ARG 36 1HD ARG 36 10.868 1.892 0.068
266 HE ARG 36 HE ARG 36 12.439 4.256 0.032
267 HH11 ARG 36 1HH1 ARG 36 12.634 0.738 0.513
268 HH12 ARG 36 2HH1 ARG 36 14.280 0.623 0.114
269 HH21 ARG 36 1HH2 ARG 36 14.751 4.085 -0.485
270 HH22 ARG 36 2HH2 ARG 36 15.507 2.569 -0.448
271 H ARG 37 H ARG 37 6.564 2.466 -1.350
272 HA ARG 37 HA ARG 37 7.776 3.925 -3.562
273 HB2 ARG 37 2HB ARG 37 7.288 0.977 -3.251
274 HB3 ARG 37 1HB ARG 37 8.163 1.754 -4.573
275 HG2 ARG 37 2HG ARG 37 9.859 2.511 -2.919
276 HG3 ARG 37 1HG ARG 37 8.957 1.637 -1.682
277 HD2 ARG 37 2HD ARG 37 10.841 0.303 -2.427
278 HD3 ARG 37 1HD ARG 37 9.327 -0.460 -2.905
279 HE ARG 37 HE ARG 37 10.212 1.178 -4.981
280 HH11 ARG 37 1HH1 ARG 37 11.231 -1.814 -3.350
281 HH12 ARG 37 2HH1 ARG 37 11.883 -2.507 -4.757
282 HH21 ARG 37 1HH2 ARG 37 11.163 0.223 -6.889
283 HH22 ARG 37 2HH2 ARG 37 11.831 -1.337 -6.820
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -9.707 -1.081 7.087
2 H2 GLY 1 2HT GLY 1 -8.469 -2.213 6.985
3 H3 GLY 1 3HT GLY 1 -9.662 -2.169 5.795
4 HA2 GLY 1 1HA GLY 1 -8.925 0.011 5.110
5 HA3 GLY 1 2HA GLY 1 -7.641 -0.077 6.297
6 H ILE 2 H ILE 2 -5.793 -1.294 5.825
7 HA ILE 2 HA ILE 2 -5.272 -1.676 3.118
8 HB ILE 2 HB ILE 2 -3.118 -2.625 3.893
9 HG12 ILE 2 2HG1 ILE 2 -4.329 -2.234 6.653
10 HG13 ILE 2 1HG1 ILE 2 -3.842 -3.762 5.937
11 HG21 ILE 2 1HG2 ILE 2 -2.344 -0.551 4.952
12 HG22 ILE 2 2HG2 ILE 2 -4.023 -0.081 5.222
13 HG23 ILE 2 3HG2 ILE 2 -3.405 -0.246 3.578
14 HD11 ILE 2 1HD1 ILE 2 -1.531 -3.096 5.996
15 HD12 ILE 2 2HD1 ILE 2 -2.234 -2.886 7.609
16 HD13 ILE 2 3HD1 ILE 2 -1.987 -1.491 6.543
17 H THR 3 H THR 3 -4.955 -3.487 1.904
18 HA THR 3 HA THR 3 -5.862 -6.040 2.961
19 HB THR 3 HB THR 3 -6.937 -4.642 0.522
20 HG1 THR 3 1HG THR 3 -7.618 -4.448 3.092
21 HG21 THR 3 1HG2 THR 3 -6.950 -7.075 0.264
22 HG22 THR 3 2HG2 THR 3 -8.605 -6.495 0.468
23 HG23 THR 3 3HG2 THR 3 -7.758 -7.254 1.819
24 H CYS 4 H CYS 4 -5.023 -7.771 1.608
25 HA CYS 4 HA CYS 4 -3.389 -6.882 -0.625
26 HB2 CYS 4 2HB CYS 4 -2.660 -9.118 1.273
27 HB3 CYS 4 1HB CYS 4 -1.777 -8.620 -0.171
28 H ASP 5 H ASP 5 -4.887 -7.353 -2.063
29 HA ASP 5 HA ASP 5 -5.705 -10.159 -2.358
30 HB2 ASP 5 2HB ASP 5 -7.500 -8.429 -2.578
31 HB3 ASP 5 1HB ASP 5 -6.580 -7.668 -3.871
32 H LEU 6 H LEU 6 -3.904 -7.474 -3.566
33 HA LEU 6 HA LEU 6 -2.576 -9.155 -5.521
34 HB2 LEU 6 2HB LEU 6 -2.956 -6.166 -5.354
35 HB3 LEU 6 1HB LEU 6 -1.978 -6.989 -6.552
36 HG LEU 6 HG LEU 6 -4.955 -7.397 -6.262
37 HD11 LEU 6 1HD1 LEU 6 -4.460 -5.082 -6.887
38 HD12 LEU 6 2HD1 LEU 6 -5.173 -5.976 -8.227
39 HD13 LEU 6 3HD1 LEU 6 -3.439 -5.656 -8.205
40 HD21 LEU 6 1HD2 LEU 6 -2.996 -8.122 -8.432
41 HD22 LEU 6 2HD2 LEU 6 -4.738 -8.394 -8.477
42 HD23 LEU 6 3HD2 LEU 6 -3.747 -9.239 -7.294
43 H ILE 7 H ILE 7 -0.368 -8.860 -5.541
44 HA ILE 7 HA ILE 7 0.843 -7.734 -3.131
45 HB ILE 7 HB ILE 7 1.820 -9.972 -4.955
46 HG12 ILE 7 2HG1 ILE 7 0.850 -10.025 -2.089
47 HG13 ILE 7 1HG1 ILE 7 -0.019 -10.634 -3.484
48 HG21 ILE 7 1HG2 ILE 7 3.710 -8.662 -4.127
49 HG22 ILE 7 2HG2 ILE 7 3.678 -10.251 -3.364
50 HG23 ILE 7 3HG2 ILE 7 3.123 -8.836 -2.473
51 HD11 ILE 7 1HD1 ILE 7 0.994 -12.440 -2.209
52 HD12 ILE 7 2HD1 ILE 7 2.587 -11.712 -2.436
53 HD13 ILE 7 3HD1 ILE 7 1.685 -12.322 -3.826
54 H GLY 8 H GLY 8 2.277 -6.130 -3.475
55 HA2 GLY 8 2HA GLY 8 3.628 -4.657 -4.639
56 HA3 GLY 8 1HA GLY 8 3.443 -5.676 -6.047
57 H ASN 9 H ASN 9 0.806 -5.673 -6.619
58 HA ASN 9 HA ASN 9 0.459 -3.095 -7.867
59 HB2 ASN 9 2HB ASN 9 0.473 -5.372 -8.942
60 HB3 ASN 9 1HB ASN 9 -0.979 -5.713 -8.007
61 HD21 ASN 9 1HD2 ASN 9 -2.190 -6.039 -9.786
62 HD22 ASN 9 2HD2 ASN 9 -2.662 -4.731 -10.793
63 H GLU 10 H GLU 10 -0.079 -3.647 -5.002
64 HA GLU 10 HA GLU 10 -2.880 -4.059 -4.889
65 HB2 GLU 10 2HB GLU 10 -1.587 -5.440 -3.521
66 HB3 GLU 10 1HB GLU 10 -0.808 -4.090 -2.726
67 HG2 GLU 10 2HG GLU 10 -2.537 -5.104 -1.412
68 HG3 GLU 10 1HG GLU 10 -2.872 -3.399 -1.830
69 H ARG 11 H ARG 11 -3.482 -2.318 -5.686
70 HA ARG 11 HA ARG 11 -3.240 0.328 -4.901
71 HB2 ARG 11 2HB ARG 11 -5.724 -1.040 -5.906
72 HB3 ARG 11 1HB ARG 11 -5.519 0.698 -5.790
73 HG2 ARG 11 2HG ARG 11 -3.911 -1.176 -7.516
74 HG3 ARG 11 1HG ARG 11 -5.152 -0.046 -8.061
75 HD2 ARG 11 2HD ARG 11 -2.499 0.661 -6.790
76 HD3 ARG 11 1HD ARG 11 -2.949 0.882 -8.472
77 HE ARG 11 HE ARG 11 -4.790 2.236 -6.828
78 HH11 ARG 11 1HH1 ARG 11 -1.439 2.508 -7.910
79 HH12 ARG 11 2HH1 ARG 11 -1.395 4.208 -7.815
80 HH21 ARG 11 1HH2 ARG 11 -4.712 4.536 -6.624
81 HH22 ARG 11 2HH2 ARG 11 -3.292 5.394 -7.040
82 H LEU 12 H LEU 12 -5.053 -2.191 -3.198
83 HA LEU 12 HA LEU 12 -6.511 -0.342 -1.569
84 HB2 LEU 12 2HB LEU 12 -5.905 -3.262 -1.105
85 HB3 LEU 12 1HB LEU 12 -7.063 -2.312 -0.196
86 HG LEU 12 HG LEU 12 -7.247 -3.014 -3.120
87 HD11 LEU 12 1HD1 LEU 12 -8.846 -3.960 -0.756
88 HD12 LEU 12 2HD1 LEU 12 -7.689 -4.911 -1.688
89 HD13 LEU 12 3HD1 LEU 12 -9.179 -4.348 -2.442
90 HD21 LEU 12 1HD2 LEU 12 -8.204 -0.835 -2.734
91 HD22 LEU 12 2HD2 LEU 12 -9.118 -1.445 -1.360
92 HD23 LEU 12 3HD2 LEU 12 -9.497 -2.004 -2.990
93 H CYS 13 H CYS 13 -3.372 -1.588 -1.562
94 HA CYS 13 HA CYS 13 -2.860 -0.776 1.168
95 HB2 CYS 13 2HB CYS 13 -1.719 -2.741 0.386
96 HB3 CYS 13 1HB CYS 13 -1.123 -1.904 -1.038
97 H VAL 14 H VAL 14 -2.138 0.159 -2.153
98 HA VAL 14 HA VAL 14 -0.450 2.323 -1.755
99 HB VAL 14 HB VAL 14 -2.537 2.089 -3.938
100 HG11 VAL 14 1HG1 VAL 14 0.052 3.633 -3.868
101 HG12 VAL 14 2HG1 VAL 14 -1.576 4.313 -3.830
102 HG13 VAL 14 3HG1 VAL 14 -1.008 3.468 -5.269
103 HG21 VAL 14 1HG2 VAL 14 -1.149 0.090 -3.838
104 HG22 VAL 14 2HG2 VAL 14 0.306 1.085 -3.895
105 HG23 VAL 14 3HG2 VAL 14 -0.785 1.035 -5.281
106 H VAL 15 H VAL 15 -3.983 2.245 -1.688
107 HA VAL 15 HA VAL 15 -4.358 5.022 -1.586
108 HB VAL 15 HB VAL 15 -6.144 3.400 -2.118
109 HG11 VAL 15 1HG1 VAL 15 -6.202 2.858 0.825
110 HG12 VAL 15 2HG1 VAL 15 -5.770 1.722 -0.454
111 HG13 VAL 15 3HG1 VAL 15 -7.426 2.324 -0.325
112 HG21 VAL 15 1HG2 VAL 15 -7.988 4.581 -0.983
113 HG22 VAL 15 2HG2 VAL 15 -6.762 5.679 -1.619
114 HG23 VAL 15 3HG2 VAL 15 -6.811 5.315 0.106
115 H HIS 16 H HIS 16 -3.507 2.756 0.936
116 HA HIS 16 HA HIS 16 -4.146 4.476 3.128
117 HB2 HIS 16 2HB HIS 16 -3.930 2.065 3.496
118 HB3 HIS 16 1HB HIS 16 -2.269 2.047 2.963
119 HD1 HIS 16 1HD HIS 16 -4.423 3.053 5.854
120 HD2 HIS 16 2HD HIS 16 -0.412 2.725 4.863
121 HE1 HIS 16 1HE HIS 16 -3.126 3.404 8.015
122 H CYS 17 H CYS 17 -1.405 3.809 1.168
123 HA CYS 17 HA CYS 17 0.474 5.465 2.478
124 HB2 CYS 17 2HB CYS 17 0.419 4.517 -0.378
125 HB3 CYS 17 1HB CYS 17 1.838 4.999 0.549
126 H LEU 18 H LEU 18 -1.738 5.931 -0.257
127 HA LEU 18 HA LEU 18 -0.866 8.538 -0.940
128 HB2 LEU 18 2HB LEU 18 -3.572 7.258 -1.337
129 HB3 LEU 18 1HB LEU 18 -3.058 8.750 -2.088
130 HG LEU 18 HG LEU 18 -1.876 6.021 -2.579
131 HD11 LEU 18 1HD1 LEU 18 -2.868 6.247 -4.805
132 HD12 LEU 18 2HD1 LEU 18 -3.605 7.773 -4.317
133 HD13 LEU 18 3HD1 LEU 18 -4.094 6.269 -3.537
134 HD21 LEU 18 1HD2 LEU 18 -0.621 7.113 -4.383
135 HD22 LEU 18 2HD2 LEU 18 -0.177 7.758 -2.805
136 HD23 LEU 18 3HD2 LEU 18 -1.246 8.678 -3.868
137 H ALA 19 H ALA 19 -3.184 7.325 1.382
138 HA ALA 19 HA ALA 19 -4.219 9.855 2.121
139 HB1 ALA 19 1HB ALA 19 -4.128 7.290 3.710
140 HB2 ALA 19 2HB ALA 19 -5.407 7.759 2.589
141 HB3 ALA 19 3HB ALA 19 -5.140 8.691 4.063
142 H LYS 20 H LYS 20 -1.641 7.814 3.440
143 HA LYS 20 HA LYS 20 -1.000 9.626 5.534
144 HB2 LYS 20 2HB LYS 20 0.444 7.260 4.412
145 HB3 LYS 20 1HB LYS 20 1.219 8.306 5.589
146 HG2 LYS 20 2HG LYS 20 -0.674 7.842 7.145
147 HG3 LYS 20 1HG LYS 20 -1.296 6.677 5.976
148 HD2 LYS 20 2HD LYS 20 0.632 5.321 6.155
149 HD3 LYS 20 1HD LYS 20 1.502 6.552 7.076
150 HE2 LYS 20 2HE LYS 20 -0.958 5.063 7.984
151 HE3 LYS 20 1HE LYS 20 0.696 4.709 8.475
152 HZ1 LYS 20 1HZ LYS 20 -0.783 7.229 9.028
153 HZ2 LYS 20 2HZ LYS 20 0.816 6.947 9.432
154 HZ3 LYS 20 3HZ LYS 20 -0.397 6.028 10.151
155 H GLY 21 H GLY 21 -0.077 9.512 2.242
156 HA2 GLY 21 2HA GLY 21 0.733 11.518 1.204
157 HA3 GLY 21 1HA GLY 21 1.522 11.939 2.721
158 H PHE 22 H PHE 22 1.522 8.981 0.861
159 HA PHE 22 HA PHE 22 4.445 9.064 0.789
160 HB2 PHE 22 2HB PHE 22 2.445 6.876 0.929
161 HB3 PHE 22 1HB PHE 22 3.992 6.485 0.192
162 HD1 PHE 22 1HD PHE 22 2.308 7.546 3.281
163 HD2 PHE 22 2HD PHE 22 5.892 6.329 1.406
164 HE1 PHE 22 1HE PHE 22 3.332 7.161 5.490
165 HE2 PHE 22 2HE PHE 22 6.923 5.942 3.460
166 HZ PHE 22 HZ PHE 22 5.661 6.355 5.628
167 H ARG 23 H ARG 23 5.448 8.148 -1.087
168 HA ARG 23 HA ARG 23 4.371 9.136 -3.513
169 HB2 ARG 23 2HB ARG 23 6.700 7.283 -3.021
170 HB3 ARG 23 1HB ARG 23 6.323 8.040 -4.563
171 HG2 ARG 23 2HG ARG 23 6.671 10.232 -3.589
172 HG3 ARG 23 1HG ARG 23 7.016 9.493 -2.025
173 HD2 ARG 23 2HD ARG 23 8.899 8.286 -3.068
174 HD3 ARG 23 1HD ARG 23 8.575 9.147 -4.571
175 HE ARG 23 HE ARG 23 8.831 11.107 -2.743
176 HH11 ARG 23 1HH1 ARG 23 10.869 8.385 -3.714
177 HH12 ARG 23 2HH1 ARG 23 12.341 9.143 -3.345
178 HH21 ARG 23 1HH2 ARG 23 10.903 12.206 -2.278
179 HH22 ARG 23 2HH2 ARG 23 12.357 11.355 -2.548
180 H GLY 24 H GLY 24 4.148 6.194 -1.753
181 HA2 GLY 24 2HA GLY 24 1.948 5.281 -3.017
182 HA3 GLY 24 1HA GLY 24 3.276 4.642 -3.976
183 H GLY 25 H GLY 25 2.109 2.683 -3.154
184 HA2 GLY 25 2HA GLY 25 3.566 1.716 -0.882
185 HA3 GLY 25 1HA GLY 25 1.813 1.752 -0.727
186 H TRP 26 H TRP 26 2.987 -0.606 -0.549
187 HA TRP 26 HA TRP 26 1.828 -2.014 -2.724
188 HB2 TRP 26 2HB TRP 26 3.792 -3.065 -3.626
189 HB3 TRP 26 1HB TRP 26 4.109 -1.343 -3.642
190 HD1 TRP 26 HD TRP 26 5.675 -4.519 -2.728
191 HE1 TRP 26 1HE TRP 26 7.746 -4.164 -1.244
192 HE3 TRP 26 3HE TRP 26 4.960 0.359 -1.468
193 HZ2 TRP 26 2HZ TRP 26 8.900 -2.132 0.255
194 HZ3 TRP 26 3HZ TRP 26 6.563 1.467 0.011
195 HH2 TRP 26 HH TRP 26 8.537 0.227 0.869
196 H CYS 27 H CYS 27 1.373 -4.094 -2.070
197 HA CYS 27 HA CYS 27 2.065 -4.749 0.676
198 HB2 CYS 27 2HB CYS 27 -0.270 -5.135 -0.042
199 HB3 CYS 27 1HB CYS 27 0.300 -6.202 -1.323
200 H ASP 28 H ASP 28 3.643 -6.167 1.129
201 HA ASP 28 HA ASP 28 5.092 -7.179 -1.193
202 HB2 ASP 28 2HB ASP 28 7.046 -7.354 0.175
203 HB3 ASP 28 1HB ASP 28 6.240 -5.885 0.659
204 H SER 29 H SER 29 6.400 -9.399 -0.290
205 HA SER 29 HA SER 29 4.463 -11.349 -0.787
206 HB2 SER 29 2HB SER 29 6.438 -12.883 -0.400
207 HB3 SER 29 1HB SER 29 6.638 -11.649 -1.643
208 HG SER 29 HG SER 29 8.057 -12.059 0.577
209 H ARG 30 H ARG 30 5.601 -10.005 2.181
210 HA ARG 30 HA ARG 30 4.858 -12.276 3.826
211 HB2 ARG 30 2HB ARG 30 5.438 -9.416 4.566
212 HB3 ARG 30 1HB ARG 30 5.274 -10.750 5.693
213 HG2 ARG 30 2HG ARG 30 7.290 -11.732 4.951
214 HG3 ARG 30 1HG ARG 30 7.364 -10.661 3.546
215 HD2 ARG 30 2HD ARG 30 7.575 -9.815 6.436
216 HD3 ARG 30 1HD ARG 30 8.900 -9.883 5.266
217 HE ARG 30 HE ARG 30 7.035 -8.339 4.070
218 HH11 ARG 30 1HH1 ARG 30 8.923 -8.052 7.068
219 HH12 ARG 30 2HH1 ARG 30 8.676 -6.376 7.206
220 HH21 ARG 30 1HH2 ARG 30 6.726 -6.134 4.249
221 HH22 ARG 30 2HH2 ARG 30 7.434 -5.200 5.506
222 H LYS 31 H LYS 31 3.137 -10.058 2.112
223 HA LYS 31 HA LYS 31 1.025 -9.373 2.012
224 HB2 LYS 31 2HB LYS 31 0.553 -11.168 4.417
225 HB3 LYS 31 1HB LYS 31 -0.720 -10.327 3.552
226 HG2 LYS 31 2HG LYS 31 1.087 -12.451 2.410
227 HG3 LYS 31 1HG LYS 31 -0.595 -12.664 2.893
228 HD2 LYS 31 2HD LYS 31 -1.255 -10.981 1.198
229 HD3 LYS 31 1HD LYS 31 0.429 -10.868 0.688
230 HE2 LYS 31 2HE LYS 31 -0.761 -12.325 -0.814
231 HE3 LYS 31 1HE LYS 31 0.386 -13.268 0.129
232 HZ1 LYS 31 1HZ LYS 31 -1.799 -14.342 -0.074
233 HZ2 LYS 31 2HZ LYS 31 -2.526 -13.072 0.729
234 HZ3 LYS 31 3HZ LYS 31 -1.415 -14.036 1.530
235 H VAL 32 H VAL 32 3.056 -7.993 3.399
236 HA VAL 32 HA VAL 32 1.532 -6.519 5.394
237 HB VAL 32 HB VAL 32 4.502 -6.407 4.762
238 HG11 VAL 32 1HG1 VAL 32 4.704 -5.089 6.825
239 HG12 VAL 32 2HG1 VAL 32 2.950 -5.105 7.005
240 HG13 VAL 32 3HG1 VAL 32 3.688 -4.276 5.635
241 HG21 VAL 32 1HG2 VAL 32 3.069 -7.638 7.112
242 HG22 VAL 32 2HG2 VAL 32 4.819 -7.556 6.888
243 HG23 VAL 32 3HG2 VAL 32 3.830 -8.520 5.791
244 H CYS 33 H CYS 33 0.831 -4.514 4.932
245 HA CYS 33 HA CYS 33 1.228 -3.398 2.308
246 HB2 CYS 33 2HB CYS 33 -0.978 -3.080 3.606
247 HB3 CYS 33 1HB CYS 33 -0.040 -2.160 4.758
248 H ASN 34 H ASN 34 3.019 -2.207 1.820
249 HA ASN 34 HA ASN 34 4.343 -0.788 4.042
250 HB2 ASN 34 2HB ASN 34 5.688 -1.764 1.509
251 HB3 ASN 34 1HB ASN 34 6.459 -1.065 2.921
252 HD21 ASN 34 1HD2 ASN 34 5.127 -3.837 1.488
253 HD22 ASN 34 2HD2 ASN 34 5.586 -4.997 2.674
254 H CYS 35 H CYS 35 4.845 1.340 3.646
255 HA CYS 35 HA CYS 35 4.008 2.390 1.035
256 HB2 CYS 35 2HB CYS 35 3.980 3.745 3.743
257 HB3 CYS 35 1HB CYS 35 3.516 4.494 2.225
258 H ARG 36 H ARG 36 5.498 3.390 -0.164
259 HA ARG 36 HA ARG 36 7.559 5.037 0.633
260 HB2 ARG 36 2HB ARG 36 8.544 3.014 1.725
261 HB3 ARG 36 1HB ARG 36 8.559 2.217 0.161
262 HG2 ARG 36 2HG ARG 36 10.094 3.995 -0.657
263 HG3 ARG 36 1HG ARG 36 10.145 4.617 0.996
264 HD2 ARG 36 2HD ARG 36 10.926 1.821 0.175
265 HD3 ARG 36 1HD ARG 36 12.068 3.131 0.462
266 HE ARG 36 HE ARG 36 10.886 3.132 2.772
267 HH11 ARG 36 1HH1 ARG 36 11.746 0.248 0.898
268 HH12 ARG 36 2HH1 ARG 36 12.024 -0.740 2.254
269 HH21 ARG 36 1HH2 ARG 36 11.303 1.786 4.643
270 HH22 ARG 36 2HH2 ARG 36 11.759 0.155 4.442
271 H ARG 37 H ARG 37 6.815 2.353 -1.569
272 HA ARG 37 HA ARG 37 8.309 3.500 -3.722
273 HB2 ARG 37 2HB ARG 37 6.543 1.061 -3.592
274 HB3 ARG 37 1HB ARG 37 7.490 1.527 -4.999
275 HG2 ARG 37 2HG ARG 37 9.531 1.337 -3.612
276 HG3 ARG 37 1HG ARG 37 8.476 0.822 -2.284
277 HD2 ARG 37 2HD ARG 37 9.538 -1.097 -3.461
278 HD3 ARG 37 1HD ARG 37 7.780 -1.131 -3.495
279 HE ARG 37 HE ARG 37 8.810 0.141 -5.805
280 HH11 ARG 37 1HH1 ARG 37 8.418 -3.075 -4.377
281 HH12 ARG 37 2HH1 ARG 37 8.301 -3.883 -5.865
282 HH21 ARG 37 1HH2 ARG 37 8.658 -1.004 -7.871
283 HH22 ARG 37 2HH2 ARG 37 8.463 -2.703 -7.890
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -10.116 -0.711 5.642
2 H2 GLY 1 2HT GLY 1 -9.399 -2.232 5.422
3 H3 GLY 1 3HT GLY 1 -9.673 -1.259 4.095
4 HA2 GLY 1 1HA GLY 1 -8.083 0.343 4.911
5 HA3 GLY 1 2HA GLY 1 -7.800 -0.713 6.295
6 H ILE 2 H ILE 2 -5.636 -1.163 5.786
7 HA ILE 2 HA ILE 2 -4.936 -2.020 3.196
8 HB ILE 2 HB ILE 2 -2.751 -2.590 4.282
9 HG12 ILE 2 2HG1 ILE 2 -4.095 -1.378 6.727
10 HG13 ILE 2 1HG1 ILE 2 -3.540 -3.037 6.560
11 HG21 ILE 2 1HG2 ILE 2 -2.141 -0.233 4.591
12 HG22 ILE 2 2HG2 ILE 2 -3.858 0.183 4.620
13 HG23 ILE 2 3HG2 ILE 2 -3.142 -0.511 3.165
14 HD11 ILE 2 1HD1 ILE 2 -1.259 -2.293 6.453
15 HD12 ILE 2 2HD1 ILE 2 -2.036 -1.642 7.904
16 HD13 ILE 2 3HD1 ILE 2 -1.788 -0.613 6.485
17 H THR 3 H THR 3 -5.290 -3.854 2.378
18 HA THR 3 HA THR 3 -4.935 -6.317 3.881
19 HB THR 3 HB THR 3 -7.364 -5.928 2.087
20 HG1 THR 3 1HG THR 3 -6.942 -5.419 4.801
21 HG21 THR 3 1HG2 THR 3 -8.130 -7.995 3.202
22 HG22 THR 3 2HG2 THR 3 -6.615 -8.056 4.103
23 HG23 THR 3 3HG2 THR 3 -6.604 -8.225 2.350
24 H CYS 4 H CYS 4 -4.046 -7.898 2.505
25 HA CYS 4 HA CYS 4 -3.525 -6.872 -0.178
26 HB2 CYS 4 2HB CYS 4 -1.768 -8.625 1.502
27 HB3 CYS 4 1HB CYS 4 -1.409 -8.042 -0.124
28 H ASP 5 H ASP 5 -4.766 -7.858 -1.587
29 HA ASP 5 HA ASP 5 -4.992 -10.768 -1.458
30 HB2 ASP 5 2HB ASP 5 -7.082 -9.468 -1.843
31 HB3 ASP 5 1HB ASP 5 -6.353 -8.718 -3.248
32 H LEU 6 H LEU 6 -3.878 -8.012 -3.291
33 HA LEU 6 HA LEU 6 -2.281 -9.753 -4.979
34 HB2 LEU 6 2HB LEU 6 -3.168 -6.899 -5.336
35 HB3 LEU 6 1HB LEU 6 -1.988 -7.689 -6.358
36 HG LEU 6 HG LEU 6 -4.871 -8.507 -6.052
37 HD11 LEU 6 1HD1 LEU 6 -5.118 -7.679 -8.328
38 HD12 LEU 6 2HD1 LEU 6 -3.427 -7.205 -8.359
39 HD13 LEU 6 3HD1 LEU 6 -4.550 -6.384 -7.273
40 HD21 LEU 6 1HD2 LEU 6 -3.479 -10.424 -6.507
41 HD22 LEU 6 2HD2 LEU 6 -2.653 -9.550 -7.793
42 HD23 LEU 6 3HD2 LEU 6 -4.352 -9.979 -7.975
43 H ILE 7 H ILE 7 -0.239 -9.053 -5.413
44 HA ILE 7 HA ILE 7 1.123 -7.676 -3.220
45 HB ILE 7 HB ILE 7 2.163 -9.619 -5.316
46 HG12 ILE 7 2HG1 ILE 7 1.898 -9.910 -2.325
47 HG13 ILE 7 1HG1 ILE 7 0.772 -10.568 -3.490
48 HG21 ILE 7 1HG2 ILE 7 3.667 -8.277 -3.062
49 HG22 ILE 7 2HG2 ILE 7 3.885 -7.962 -4.782
50 HG23 ILE 7 3HG2 ILE 7 4.307 -9.539 -4.114
51 HD11 ILE 7 1HD1 ILE 7 2.369 -12.234 -2.623
52 HD12 ILE 7 2HD1 ILE 7 3.683 -11.296 -3.367
53 HD13 ILE 7 3HD1 ILE 7 2.442 -12.029 -4.371
54 H GLY 8 H GLY 8 1.799 -5.725 -3.638
55 HA2 GLY 8 2HA GLY 8 2.631 -3.874 -4.752
56 HA3 GLY 8 1HA GLY 8 2.897 -4.909 -6.141
57 H ASN 9 H ASN 9 0.122 -5.668 -6.445
58 HA ASN 9 HA ASN 9 -0.742 -3.275 -7.926
59 HB2 ASN 9 2HB ASN 9 -1.633 -6.158 -8.088
60 HB3 ASN 9 1HB ASN 9 -2.335 -4.870 -9.053
61 HD21 ASN 9 1HD2 ASN 9 -1.001 -7.288 -9.948
62 HD22 ASN 9 2HD2 ASN 9 0.334 -6.756 -10.882
63 H GLU 10 H GLU 10 -1.138 -4.181 -5.043
64 HA GLU 10 HA GLU 10 -3.979 -4.365 -4.815
65 HB2 GLU 10 2HB GLU 10 -2.546 -5.792 -3.517
66 HB3 GLU 10 1HB GLU 10 -1.768 -4.421 -2.766
67 HG2 GLU 10 2HG GLU 10 -3.320 -5.374 -1.302
68 HG3 GLU 10 1HG GLU 10 -3.897 -3.784 -1.830
69 H ARG 11 H ARG 11 -4.275 -2.389 -5.712
70 HA ARG 11 HA ARG 11 -3.377 0.083 -4.809
71 HB2 ARG 11 2HB ARG 11 -5.948 -0.521 -6.229
72 HB3 ARG 11 1HB ARG 11 -5.280 1.091 -6.004
73 HG2 ARG 11 2HG ARG 11 -3.243 0.329 -7.203
74 HG3 ARG 11 1HG ARG 11 -4.079 -1.180 -7.561
75 HD2 ARG 11 2HD ARG 11 -4.262 0.335 -9.435
76 HD3 ARG 11 1HD ARG 11 -5.847 0.090 -8.699
77 HE ARG 11 HE ARG 11 -4.645 2.325 -7.549
78 HH11 ARG 11 1HH1 ARG 11 -5.955 1.357 -10.676
79 HH12 ARG 11 2HH1 ARG 11 -6.523 2.897 -11.104
80 HH21 ARG 11 1HH2 ARG 11 -5.410 4.479 -8.100
81 HH22 ARG 11 2HH2 ARG 11 -6.200 4.735 -9.587
82 H LEU 12 H LEU 12 -6.016 -1.826 -3.546
83 HA LEU 12 HA LEU 12 -7.176 0.216 -1.962
84 HB2 LEU 12 2HB LEU 12 -7.147 -2.776 -1.619
85 HB3 LEU 12 1HB LEU 12 -8.070 -1.704 -0.586
86 HG LEU 12 HG LEU 12 -8.476 -1.990 -3.568
87 HD11 LEU 12 1HD1 LEU 12 -10.519 -3.178 -2.970
88 HD12 LEU 12 2HD1 LEU 12 -10.070 -3.082 -1.267
89 HD13 LEU 12 3HD1 LEU 12 -9.086 -4.024 -2.385
90 HD21 LEU 12 1HD2 LEU 12 -10.069 -0.543 -1.453
91 HD22 LEU 12 2HD2 LEU 12 -10.557 -0.759 -3.129
92 HD23 LEU 12 3HD2 LEU 12 -9.134 0.207 -2.749
93 H CYS 13 H CYS 13 -4.326 -1.621 -1.647
94 HA CYS 13 HA CYS 13 -3.922 -0.860 1.105
95 HB2 CYS 13 2HB CYS 13 -3.083 -3.003 0.532
96 HB3 CYS 13 1HB CYS 13 -2.283 -2.390 -0.917
97 H VAL 14 H VAL 14 -2.564 -0.226 -2.095
98 HA VAL 14 HA VAL 14 -0.548 1.579 -1.457
99 HB VAL 14 HB VAL 14 -2.258 1.672 -3.943
100 HG11 VAL 14 1HG1 VAL 14 -0.252 2.572 -5.047
101 HG12 VAL 14 2HG1 VAL 14 0.583 2.575 -3.492
102 HG13 VAL 14 3HG1 VAL 14 -0.823 3.612 -3.741
103 HG21 VAL 14 1HG2 VAL 14 0.213 0.018 -3.421
104 HG22 VAL 14 2HG2 VAL 14 -0.616 0.154 -4.974
105 HG23 VAL 14 3HG2 VAL 14 -1.429 -0.597 -3.599
106 H VAL 15 H VAL 15 -3.984 2.192 -2.042
107 HA VAL 15 HA VAL 15 -3.936 4.967 -2.117
108 HB VAL 15 HB VAL 15 -5.898 3.611 -2.762
109 HG11 VAL 15 1HG1 VAL 15 -6.345 3.263 0.183
110 HG12 VAL 15 2HG1 VAL 15 -5.919 2.002 -0.974
111 HG13 VAL 15 3HG1 VAL 15 -7.483 2.812 -1.088
112 HG21 VAL 15 1HG2 VAL 15 -6.521 5.681 -0.667
113 HG22 VAL 15 2HG2 VAL 15 -7.640 5.107 -1.905
114 HG23 VAL 15 3HG2 VAL 15 -6.187 5.996 -2.366
115 H HIS 16 H HIS 16 -3.737 2.843 0.628
116 HA HIS 16 HA HIS 16 -4.441 4.720 2.632
117 HB2 HIS 16 2HB HIS 16 -4.409 2.323 3.135
118 HB3 HIS 16 1HB HIS 16 -2.712 2.234 2.712
119 HD1 HIS 16 1HD HIS 16 -4.959 3.670 5.437
120 HD2 HIS 16 2HD HIS 16 -1.014 2.572 4.756
121 HE1 HIS 16 1HE HIS 16 -3.799 3.864 7.646
122 H CYS 17 H CYS 17 -1.450 3.810 1.097
123 HA CYS 17 HA CYS 17 0.294 5.542 2.599
124 HB2 CYS 17 2HB CYS 17 0.681 4.314 -0.121
125 HB3 CYS 17 1HB CYS 17 1.932 4.866 0.991
126 H LEU 18 H LEU 18 -1.432 5.745 -0.461
127 HA LEU 18 HA LEU 18 -0.278 8.205 -1.260
128 HB2 LEU 18 2HB LEU 18 -2.944 7.033 -2.046
129 HB3 LEU 18 1HB LEU 18 -2.094 8.307 -2.893
130 HG LEU 18 HG LEU 18 -1.231 5.431 -2.644
131 HD11 LEU 18 1HD1 LEU 18 -1.585 5.355 -5.056
132 HD12 LEU 18 2HD1 LEU 18 -2.192 7.010 -5.015
133 HD13 LEU 18 3HD1 LEU 18 -3.065 5.727 -4.176
134 HD21 LEU 18 1HD2 LEU 18 0.727 6.892 -2.653
135 HD22 LEU 18 2HD2 LEU 18 0.123 7.706 -4.099
136 HD23 LEU 18 3HD2 LEU 18 0.594 6.010 -4.173
137 H ALA 19 H ALA 19 -3.044 7.360 0.710
138 HA ALA 19 HA ALA 19 -4.058 10.000 0.947
139 HB1 ALA 19 1HB ALA 19 -4.410 7.625 2.768
140 HB2 ALA 19 2HB ALA 19 -5.428 8.023 1.384
141 HB3 ALA 19 3HB ALA 19 -5.382 9.096 2.784
142 H LYS 20 H LYS 20 -1.903 8.000 2.930
143 HA LYS 20 HA LYS 20 -1.516 9.892 4.984
144 HB2 LYS 20 2HB LYS 20 0.129 7.549 4.086
145 HB3 LYS 20 1HB LYS 20 0.702 8.616 5.356
146 HG2 LYS 20 2HG LYS 20 -1.371 8.100 6.641
147 HG3 LYS 20 1HG LYS 20 -1.805 6.943 5.389
148 HD2 LYS 20 2HD LYS 20 0.079 5.587 5.854
149 HD3 LYS 20 1HD LYS 20 0.797 6.823 6.890
150 HE2 LYS 20 2HE LYS 20 -0.950 6.558 8.512
151 HE3 LYS 20 1HE LYS 20 -1.833 5.468 7.448
152 HZ1 LYS 20 1HZ LYS 20 0.824 4.909 8.664
153 HZ2 LYS 20 2HZ LYS 20 -0.058 3.870 7.650
154 HZ3 LYS 20 3HZ LYS 20 -0.654 4.260 9.156
155 H GLY 21 H GLY 21 -0.042 9.568 1.884
156 HA2 GLY 21 2HA GLY 21 0.853 11.573 0.859
157 HA3 GLY 21 1HA GLY 21 1.441 12.056 2.450
158 H PHE 22 H PHE 22 1.605 9.147 0.531
159 HA PHE 22 HA PHE 22 4.493 9.131 0.892
160 HB2 PHE 22 2HB PHE 22 2.461 6.987 1.104
161 HB3 PHE 22 1HB PHE 22 3.984 6.467 0.429
162 HD1 PHE 22 1HD PHE 22 2.224 7.661 3.363
163 HD2 PHE 22 2HD PHE 22 5.969 6.604 1.694
164 HE1 PHE 22 1HE PHE 22 3.184 7.497 5.622
165 HE2 PHE 22 2HE PHE 22 6.935 6.426 3.842
166 HZ PHE 22 HZ PHE 22 5.563 6.877 5.893
167 H ARG 23 H ARG 23 5.715 8.246 -0.790
168 HA ARG 23 HA ARG 23 4.839 9.077 -3.388
169 HB2 ARG 23 2HB ARG 23 7.320 7.581 -2.512
170 HB3 ARG 23 1HB ARG 23 7.027 8.115 -4.155
171 HG2 ARG 23 2HG ARG 23 7.256 9.937 -1.767
172 HG3 ARG 23 1HG ARG 23 8.557 9.580 -2.902
173 HD2 ARG 23 2HD ARG 23 5.918 10.868 -3.596
174 HD3 ARG 23 1HD ARG 23 7.450 11.715 -3.404
175 HE ARG 23 HE ARG 23 7.680 9.642 -5.314
176 HH11 ARG 23 1HH1 ARG 23 6.250 12.863 -4.974
177 HH12 ARG 23 2HH1 ARG 23 6.440 13.262 -6.616
178 HH21 ARG 23 1HH2 ARG 23 7.903 10.172 -7.531
179 HH22 ARG 23 2HH2 ARG 23 7.404 11.685 -8.122
180 H GLY 24 H GLY 24 4.603 6.271 -1.521
181 HA2 GLY 24 2HA GLY 24 2.761 5.075 -3.099
182 HA3 GLY 24 1HA GLY 24 4.302 4.496 -3.711
183 H GLY 25 H GLY 25 2.243 3.008 -2.555
184 HA2 GLY 25 2HA GLY 25 3.686 1.856 -0.307
185 HA3 GLY 25 1HA GLY 25 1.932 2.064 -0.267
186 H TRP 26 H TRP 26 3.073 -0.459 -0.084
187 HA TRP 26 HA TRP 26 1.873 -1.680 -2.375
188 HB2 TRP 26 2HB TRP 26 3.813 -2.756 -3.293
189 HB3 TRP 26 1HB TRP 26 4.157 -1.035 -3.222
190 HD1 TRP 26 HD TRP 26 5.634 -4.290 -2.408
191 HE1 TRP 26 1HE TRP 26 7.719 -4.025 -0.898
192 HE3 TRP 26 3HE TRP 26 5.065 0.562 -0.979
193 HZ2 TRP 26 2HZ TRP 26 8.923 -2.093 0.690
194 HZ3 TRP 26 3HZ TRP 26 6.702 1.556 0.548
195 HH2 TRP 26 HH TRP 26 8.626 0.216 1.370
196 H CYS 27 H CYS 27 1.408 -3.771 -1.999
197 HA CYS 27 HA CYS 27 2.000 -4.923 0.582
198 HB2 CYS 27 2HB CYS 27 0.535 -5.970 -1.840
199 HB3 CYS 27 1HB CYS 27 0.760 -6.880 -0.353
200 H ASP 28 H ASP 28 3.813 -6.013 0.842
201 HA ASP 28 HA ASP 28 5.258 -6.812 -1.548
202 HB2 ASP 28 2HB ASP 28 7.174 -7.239 -0.157
203 HB3 ASP 28 1HB ASP 28 6.460 -5.743 0.416
204 H SER 29 H SER 29 6.471 -9.101 -1.033
205 HA SER 29 HA SER 29 4.536 -11.006 -1.625
206 HB2 SER 29 2HB SER 29 6.939 -11.112 -2.282
207 HB3 SER 29 1HB SER 29 7.343 -11.521 -0.620
208 HG SER 29 HG SER 29 5.857 -13.019 -2.501
209 H ARG 30 H ARG 30 5.650 -9.984 1.517
210 HA ARG 30 HA ARG 30 4.715 -12.342 2.924
211 HB2 ARG 30 2HB ARG 30 5.519 -9.625 3.948
212 HB3 ARG 30 1HB ARG 30 5.236 -11.051 4.929
213 HG2 ARG 30 2HG ARG 30 7.171 -12.108 4.140
214 HG3 ARG 30 1HG ARG 30 7.351 -10.957 2.806
215 HD2 ARG 30 2HD ARG 30 7.598 -10.345 5.744
216 HD3 ARG 30 1HD ARG 30 8.928 -10.426 4.579
217 HE ARG 30 HE ARG 30 7.061 -8.639 3.580
218 HH11 ARG 30 1HH1 ARG 30 9.306 -8.760 6.306
219 HH12 ARG 30 2HH1 ARG 30 9.411 -7.073 6.469
220 HH21 ARG 30 1HH2 ARG 30 7.107 -6.397 3.839
221 HH22 ARG 30 2HH2 ARG 30 8.116 -5.657 5.015
222 H LYS 31 H LYS 31 3.102 -9.964 1.380
223 HA LYS 31 HA LYS 31 0.954 -9.246 1.313
224 HB2 LYS 31 2HB LYS 31 0.475 -11.059 3.700
225 HB3 LYS 31 1HB LYS 31 -0.773 -10.295 2.736
226 HG2 LYS 31 2HG LYS 31 1.190 -12.316 1.658
227 HG3 LYS 31 1HG LYS 31 -0.404 -12.724 2.275
228 HD2 LYS 31 2HD LYS 31 -1.416 -11.294 0.517
229 HD3 LYS 31 1HD LYS 31 0.203 -10.950 -0.103
230 HE2 LYS 31 2HE LYS 31 0.573 -13.267 -0.617
231 HE3 LYS 31 1HE LYS 31 -0.925 -13.730 0.179
232 HZ1 LYS 31 1HZ LYS 31 -2.162 -12.602 -1.564
233 HZ2 LYS 31 2HZ LYS 31 -1.150 -13.748 -2.204
234 HZ3 LYS 31 3HZ LYS 31 -0.739 -12.138 -2.351
235 H VAL 32 H VAL 32 3.055 -8.050 2.966
236 HA VAL 32 HA VAL 32 1.524 -6.646 5.038
237 HB VAL 32 HB VAL 32 4.498 -6.538 4.428
238 HG11 VAL 32 1HG1 VAL 32 4.715 -5.473 6.627
239 HG12 VAL 32 2HG1 VAL 32 2.962 -5.498 6.811
240 HG13 VAL 32 3HG1 VAL 32 3.700 -4.520 5.542
241 HG21 VAL 32 1HG2 VAL 32 3.056 -8.038 6.603
242 HG22 VAL 32 2HG2 VAL 32 4.807 -7.901 6.425
243 HG23 VAL 32 3HG2 VAL 32 3.855 -8.748 5.203
244 H CYS 33 H CYS 33 0.973 -4.638 4.881
245 HA CYS 33 HA CYS 33 1.439 -3.251 2.413
246 HB2 CYS 33 2HB CYS 33 -0.406 -2.802 4.752
247 HB3 CYS 33 1HB CYS 33 -0.015 -1.501 3.632
248 H ASN 34 H ASN 34 3.159 -2.144 2.163
249 HA ASN 34 HA ASN 34 4.403 -0.816 4.489
250 HB2 ASN 34 2HB ASN 34 5.752 -1.571 1.885
251 HB3 ASN 34 1HB ASN 34 6.517 -1.045 3.370
252 HD21 ASN 34 1HD2 ASN 34 5.115 -3.665 1.641
253 HD22 ASN 34 2HD2 ASN 34 5.603 -4.942 2.692
254 H CYS 35 H CYS 35 4.669 1.402 4.243
255 HA CYS 35 HA CYS 35 4.134 2.534 1.571
256 HB2 CYS 35 2HB CYS 35 3.852 3.968 4.237
257 HB3 CYS 35 1HB CYS 35 3.409 4.567 2.654
258 H ARG 36 H ARG 36 5.969 3.354 0.608
259 HA ARG 36 HA ARG 36 7.888 4.947 1.800
260 HB2 ARG 36 2HB ARG 36 8.263 2.839 3.182
261 HB3 ARG 36 1HB ARG 36 8.894 2.118 1.714
262 HG2 ARG 36 2HG ARG 36 10.654 3.746 1.625
263 HG3 ARG 36 1HG ARG 36 10.001 4.562 3.052
264 HD2 ARG 36 2HD ARG 36 11.068 1.744 2.916
265 HD3 ARG 36 1HD ARG 36 11.834 3.111 3.720
266 HE ARG 36 HE ARG 36 9.837 3.155 5.192
267 HH11 ARG 36 1HH1 ARG 36 10.800 0.117 3.621
268 HH12 ARG 36 2HH1 ARG 36 10.028 -0.867 4.755
269 HH21 ARG 36 1HH2 ARG 36 8.783 1.780 6.754
270 HH22 ARG 36 2HH2 ARG 36 8.869 0.091 6.624
271 H ARG 37 H ARG 37 6.848 2.926 -0.820
272 HA ARG 37 HA ARG 37 9.271 3.560 -2.293
273 HB2 ARG 37 2HB ARG 37 7.108 1.522 -2.869
274 HB3 ARG 37 1HB ARG 37 8.333 1.961 -4.052
275 HG2 ARG 37 2HG ARG 37 8.706 0.651 -1.382
276 HG3 ARG 37 1HG ARG 37 8.940 -0.069 -2.974
277 HD2 ARG 37 2HD ARG 37 10.597 2.103 -1.684
278 HD3 ARG 37 1HD ARG 37 11.079 0.450 -2.032
279 HE ARG 37 HE ARG 37 10.368 1.494 -4.457
280 HH11 ARG 37 1HH1 ARG 37 12.755 2.290 -1.988
281 HH12 ARG 37 2HH1 ARG 37 13.825 3.072 -3.070
282 HH21 ARG 37 1HH2 ARG 37 11.815 2.493 -5.938
283 HH22 ARG 37 2HH2 ARG 37 13.285 3.162 -5.408