Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11051 | 1quz RC | 4541 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 2H ALA 1 HN2 ALA 1 -1.010 -3.298 1.659
2 H ALA 1 HN ALA 1 0.608 -3.000 1.227
3 3H ALA 1 HN3 ALA 1 0.117 -2.962 2.868
4 HA ALA 1 HA ALA 1 0.397 -0.723 1.804
5 1HB ALA 1 HB1 ALA 1 -1.378 -0.023 0.113
6 2HB ALA 1 HB2 ALA 1 -0.478 -1.441 -0.488
7 3HB ALA 1 HB3 ALA 1 -2.118 -1.658 0.210
8 H SER 2 HN SER 2 -0.762 1.115 2.696
9 HA SER 2 HA SER 2 -2.753 0.433 4.743
10 1HB SER 2 HB3 SER 2 -0.647 2.693 4.578
11 2HB SER 2 HB2 SER 2 -1.936 2.632 5.842
12 HG SER 2 HG SER 2 -1.186 0.634 6.486
13 H CYS 3 HN CYS 3 -4.373 2.112 5.301
14 HA CYS 3 HA CYS 3 -5.294 3.718 2.994
15 1HB CYS 3 HB2 CYS 3 -7.664 2.682 3.512
16 2HB CYS 3 HB3 CYS 3 -6.447 1.647 2.731
17 H ARG 4 HN ARG 4 -7.372 5.038 3.793
18 HA ARG 4 HA ARG 4 -6.873 6.132 6.483
19 1HB ARG 4 HB3 ARG 4 -7.942 7.743 4.065
20 2HB ARG 4 HB2 ARG 4 -7.609 8.260 5.725
21 1HG ARG 4 HG3 ARG 4 -5.861 9.106 4.538
22 2HG ARG 4 HG2 ARG 4 -5.145 7.628 5.283
23 1HD ARG 4 HD2 ARG 4 -5.473 6.530 2.898
24 2HD ARG 4 HD3 ARG 4 -5.893 8.179 2.323
25 HE ARG 4 HE ARG 4 -3.650 8.966 2.875
26 1HH1 ARG 4 HH2 ARG 4 -3.831 5.456 3.325
27 2HH1 ARG 4 HH2 ARG 4 -2.186 5.243 2.819
28 1HH2 ARG 4 HH1 ARG 4 -1.523 8.622 2.623
29 2HH2 ARG 4 HH1 ARG 4 -0.898 7.007 2.598
30 H THR 5 HN THR 5 -9.347 5.624 3.890
31 HA THR 5 HA THR 5 -11.297 4.661 5.818
32 HB THR 5 HB THR 5 -13.089 5.615 4.359
33 HG1 THR 5 HG1 THR 5 -12.472 7.268 2.914
34 1HG2 THR 5 HG2 THR 5 -12.826 7.977 5.158
35 2HG2 THR 5 HG2 THR 5 -12.239 6.853 6.433
36 3HG2 THR 5 HG2 THR 5 -11.067 7.737 5.385
37 HA PRO 6 HA PRO 6 -10.648 1.188 3.151
38 1HB PRO 6 HB2 PRO 6 -13.612 0.537 2.985
39 2HB PRO 6 HB3 PRO 6 -12.240 -0.465 3.528
40 1HG PRO 6 HG3 PRO 6 -14.000 0.737 5.318
41 2HG PRO 6 HG2 PRO 6 -12.227 0.659 5.661
42 1HD PRO 6 HD2 PRO 6 -13.782 3.045 4.540
43 2HD PRO 6 HD3 PRO 6 -12.533 2.932 5.878
44 H LYS 7 HN LYS 7 -12.479 3.697 1.596
45 HA LYS 7 HA LYS 7 -12.528 2.477 -1.033
46 1HB LYS 7 HB3 LYS 7 -14.228 4.171 -0.283
47 2HB LYS 7 HB2 LYS 7 -12.961 5.433 -0.356
48 1HG LYS 7 HG3 LYS 7 -14.303 5.560 -2.343
49 2HG LYS 7 HG2 LYS 7 -12.712 4.931 -2.862
50 1HD LYS 7 HD3 LYS 7 -13.715 2.584 -2.894
51 2HD LYS 7 HD2 LYS 7 -15.296 3.301 -2.426
52 1HE LYS 7 HE3 LYS 7 -15.286 4.674 -4.560
53 2HE LYS 7 HE2 LYS 7 -13.728 3.893 -5.046
54 1HZ LYS 7 HZ1 LYS 7 -15.622 2.841 -6.046
55 2HZ LYS 7 HZ2 LYS 7 -14.849 1.765 -4.984
56 3HZ LYS 7 HZ3 LYS 7 -16.308 2.504 -4.530
57 H ASP 8 HN ASP 8 -9.981 3.994 0.854
58 HA ASP 8 HA ASP 8 -8.370 4.825 -1.397
59 1HB ASP 8 HB3 ASP 8 -7.616 4.399 1.548
60 2HB ASP 8 HB2 ASP 8 -6.562 5.150 0.291
61 H CYS 9 HN CYS 9 -9.228 1.710 -0.139
62 HA CYS 9 HA CYS 9 -6.819 0.411 -1.109
63 1HB CYS 9 HB2 CYS 9 -8.002 -0.542 1.071
64 2HB CYS 9 HB3 CYS 9 -9.309 -1.028 -0.025
65 H ALA 10 HN ALA 10 -9.815 1.587 -2.417
66 HA ALA 10 HA ALA 10 -10.443 -0.345 -4.296
67 1HB ALA 10 HB1 ALA 10 -10.871 2.685 -4.516
68 2HB ALA 10 HB2 ALA 10 -11.758 1.423 -5.443
69 3HB ALA 10 HB3 ALA 10 -11.931 1.523 -3.661
70 H ASP 11 HN ASP 11 -7.902 2.065 -4.406
71 HA ASP 11 HA ASP 11 -7.267 1.654 -7.214
72 1HB ASP 11 HB2 ASP 11 -5.759 3.354 -5.165
73 2HB ASP 11 HB3 ASP 11 -5.586 3.392 -6.958
74 HA PRO 12 HA PRO 12 -3.475 -0.865 -5.594
75 1HB PRO 12 HB3 PRO 12 -3.435 -1.704 -2.864
76 2HB PRO 12 HB2 PRO 12 -2.644 -0.215 -3.512
77 1HG PRO 12 HG3 PRO 12 -5.384 -0.557 -2.288
78 2HG PRO 12 HG2 PRO 12 -4.137 0.651 -1.789
79 1HD PRO 12 HD2 PRO 12 -6.140 1.411 -3.428
80 2HD PRO 12 HD3 PRO 12 -4.444 1.910 -3.839
81 H CYS 13 HN CYS 13 -6.749 -1.615 -4.155
82 HA CYS 13 HA CYS 13 -6.439 -4.473 -4.483
83 1HB CYS 13 HB2 CYS 13 -7.774 -3.483 -2.629
84 2HB CYS 13 HB3 CYS 13 -8.995 -2.938 -3.806
85 H ARG 14 HN ARG 14 -7.814 -1.833 -6.554
86 HA ARG 14 HA ARG 14 -8.671 -3.714 -8.589
87 1HB ARG 14 HB3 ARG 14 -9.829 -1.641 -8.343
88 2HB ARG 14 HB2 ARG 14 -8.326 -0.677 -8.619
89 1HG ARG 14 HG3 ARG 14 -8.168 -1.420 -10.919
90 2HG ARG 14 HG2 ARG 14 -9.500 -2.604 -10.679
91 1HD ARG 14 HD3 ARG 14 -9.935 -0.414 -12.095
92 2HD ARG 14 HD2 ARG 14 -11.238 -0.850 -10.928
93 HE ARG 14 HE ARG 14 -9.585 0.674 -9.361
94 1HH1 ARG 14 HH1 ARG 14 -11.042 1.354 -12.461
95 2HH1 ARG 14 HH1 ARG 14 -10.981 3.073 -12.251
96 1HH2 ARG 14 HH2 ARG 14 -9.531 2.910 -9.132
97 2HH2 ARG 14 HH2 ARG 14 -10.124 3.926 -10.415
98 H LYS 15 HN LYS 15 -5.612 -2.501 -7.683
99 HA LYS 15 HA LYS 15 -4.502 -3.051 -10.313
100 1HB LYS 15 HB2 LYS 15 -3.765 -1.044 -9.119
101 2HB LYS 15 HB3 LYS 15 -3.213 -2.011 -7.725
102 1HG LYS 15 HG2 LYS 15 -1.330 -1.204 -9.110
103 2HG LYS 15 HG3 LYS 15 -1.382 -2.988 -9.015
104 1HD LYS 15 HD3 LYS 15 -0.758 -2.337 -11.235
105 2HD LYS 15 HD2 LYS 15 -2.374 -3.104 -11.329
106 1HE LYS 15 HE3 LYS 15 -3.432 -0.823 -11.593
107 2HE LYS 15 HE2 LYS 15 -1.803 -0.053 -11.396
108 1HZ LYS 15 HZ1 LYS 15 -2.432 -0.264 -13.690
109 2HZ LYS 15 HZ2 LYS 15 -1.068 -1.221 -13.359
110 3HZ LYS 15 HZ3 LYS 15 -2.591 -1.949 -13.548
111 H GLU 16 HN GLU 16 -4.357 -4.438 -6.954
112 HA GLU 16 HA GLU 16 -2.618 -6.613 -7.881
113 1HB GLU 16 HB3 GLU 16 -2.128 -7.302 -5.617
114 2HB GLU 16 HB2 GLU 16 -1.934 -5.544 -5.714
115 1HG GLU 16 HG3 GLU 16 -4.577 -5.730 -4.875
116 2HG GLU 16 HG2 GLU 16 -3.973 -7.296 -4.259
117 H THR 17 HN THR 17 -6.111 -6.472 -6.796
118 HA THR 17 HA THR 17 -6.179 -9.349 -7.540
119 HB THR 17 HB THR 17 -8.226 -9.733 -6.484
120 HG1 THR 17 HG1 THR 17 -9.206 -8.227 -5.148
121 1HG2 THR 17 HG2 THR 17 -6.188 -8.301 -4.624
122 2HG2 THR 17 HG2 THR 17 -7.405 -9.504 -4.120
123 3HG2 THR 17 HG2 THR 17 -6.078 -9.982 -5.232
124 H GLY 18 HN GLY 18 -7.901 -6.264 -7.888
125 1HA GLY 18 HA1 GLY 18 -7.981 -5.564 -10.280
126 2HA GLY 18 HA2 GLY 18 -8.789 -7.101 -10.632
127 H CYS 19 HN CYS 19 -10.134 -6.655 -7.842
128 HA CYS 19 HA CYS 19 -12.173 -4.697 -8.806
129 1HB CYS 19 HB3 CYS 19 -12.768 -7.309 -7.355
130 2HB CYS 19 HB2 CYS 19 -13.947 -6.041 -7.628
131 HA PRO 20 HA PRO 20 -11.107 -2.795 -5.094
132 1HB PRO 20 HB2 PRO 20 -12.882 -0.768 -5.172
133 2HB PRO 20 HB3 PRO 20 -11.934 -1.140 -6.638
134 1HG PRO 20 HG3 PRO 20 -14.795 -2.079 -5.990
135 2HG PRO 20 HG2 PRO 20 -14.239 -1.167 -7.456
136 1HD PRO 20 HD3 PRO 20 -14.328 -4.048 -7.289
137 2HD PRO 20 HD2 PRO 20 -13.189 -3.079 -8.339
138 H TYR 21 HN TYR 21 -12.036 -5.165 -4.052
139 HA TYR 21 HA TYR 21 -13.997 -4.431 -1.931
140 1HB TYR 21 HB3 TYR 21 -13.251 -7.284 -3.101
141 2HB TYR 21 HB2 TYR 21 -14.165 -6.990 -1.604
142 HD1 TYR 21 HD1 TYR 21 -15.428 -4.509 -4.048
143 HD2 TYR 21 HD2 TYR 21 -15.424 -8.658 -2.874
144 HE1 TYR 21 HE1 TYR 21 -17.513 -4.830 -5.218
145 HE2 TYR 21 HE2 TYR 21 -17.547 -8.983 -4.070
146 HH TYR 21 HH TYR 21 -19.125 -6.280 -5.826
147 H GLY 22 HN GLY 22 -12.560 -3.392 -0.423
148 1HA GLY 22 HA1 GLY 22 -10.789 -5.324 0.909
149 2HA GLY 22 HA2 GLY 22 -10.004 -3.828 0.239
150 H LYS 23 HN LYS 23 -10.467 -4.794 3.147
151 HA LYS 23 HA LYS 23 -12.091 -2.481 4.090
152 1HB LYS 23 HB3 LYS 23 -11.345 -5.127 5.468
153 2HB LYS 23 HB2 LYS 23 -12.154 -3.749 6.298
154 1HG LYS 23 HG2 LYS 23 -13.434 -5.489 4.100
155 2HG LYS 23 HG3 LYS 23 -13.768 -5.373 5.849
156 1HD LYS 23 HD3 LYS 23 -14.324 -2.882 5.458
157 2HD LYS 23 HD2 LYS 23 -14.315 -3.250 3.696
158 1HE LYS 23 HE2 LYS 23 -16.109 -4.567 5.857
159 2HE LYS 23 HE3 LYS 23 -16.623 -3.325 4.642
160 1HZ LYS 23 HZ1 LYS 23 -15.593 -6.047 4.037
161 2HZ LYS 23 HZ2 LYS 23 -17.212 -5.540 3.981
162 3HZ LYS 23 HZ3 LYS 23 -16.078 -4.883 2.900
163 H CYS 24 HN CYS 24 -11.281 -1.075 5.703
164 HA CYS 24 HA CYS 24 -8.364 -0.945 5.895
165 1HB CYS 24 HB3 CYS 24 -9.964 1.028 5.253
166 2HB CYS 24 HB2 CYS 24 -10.278 1.226 6.975
167 H MET 25 HN MET 25 -7.999 -2.640 7.209
168 HA MET 25 HA MET 25 -9.095 -2.618 9.972
169 1HB MET 25 HB3 MET 25 -7.792 -4.913 8.401
170 2HB MET 25 HB2 MET 25 -8.361 -4.996 10.100
171 1HG MET 25 HG2 MET 25 -10.055 -5.034 7.572
172 2HG MET 25 HG3 MET 25 -10.005 -6.081 8.996
173 1HE MET 25 HE1 MET 25 -12.543 -5.540 7.801
174 2HE MET 25 HE2 MET 25 -12.460 -6.303 9.418
175 3HE MET 25 HE3 MET 25 -13.639 -4.984 9.114
176 H ASN 26 HN ASN 26 -7.898 -1.258 11.029
177 HA ASN 26 HA ASN 26 -6.307 -0.187 12.006
178 1HB ASN 26 HB2 ASN 26 -6.173 -2.790 12.842
179 2HB ASN 26 HB3 ASN 26 -4.445 -2.558 12.465
180 1HD2 ASN 26 HD2 ASN 26 -4.337 0.305 13.236
181 2HD2 ASN 26 HD2 ASN 26 -4.596 0.308 14.975
182 H ARG 27 HN ARG 27 -6.093 0.350 9.505
183 HA ARG 27 HA ARG 27 -5.069 1.386 7.961
184 1HB ARG 27 HB2 ARG 27 -2.523 1.423 9.457
185 2HB ARG 27 HB3 ARG 27 -2.979 2.504 8.114
186 1HG ARG 27 HG2 ARG 27 -4.293 2.480 10.931
187 2HG ARG 27 HG3 ARG 27 -3.053 3.597 10.308
188 1HD ARG 27 HD3 ARG 27 -4.980 4.831 10.209
189 2HD ARG 27 HD2 ARG 27 -4.717 4.319 8.479
190 HE ARG 27 HE ARG 27 -6.528 2.491 9.976
191 1HH1 ARG 27 HH1 ARG 27 -6.412 5.713 8.806
192 2HH1 ARG 27 HH1 ARG 27 -8.117 5.800 8.526
193 1HH2 ARG 27 HH2 ARG 27 -8.787 2.618 9.182
194 2HH2 ARG 27 HH2 ARG 27 -9.365 4.220 8.763
195 H LYS 28 HN LYS 28 -5.326 -1.432 7.621
196 HA LYS 28 HA LYS 28 -3.166 -1.904 5.676
197 1HB LYS 28 HB2 LYS 28 -4.224 -3.871 7.798
198 2HB LYS 28 HB3 LYS 28 -3.339 -4.432 6.352
199 1HG LYS 28 HG3 LYS 28 -2.207 -2.668 8.590
200 2HG LYS 28 HG2 LYS 28 -1.894 -4.405 8.291
201 1HD LYS 28 HD2 LYS 28 -1.119 -2.100 6.396
202 2HD LYS 28 HD3 LYS 28 -0.006 -2.939 7.518
203 1HE LYS 28 HE3 LYS 28 -0.058 -5.000 6.269
204 2HE LYS 28 HE2 LYS 28 -1.488 -4.489 5.292
205 1HZ LYS 28 HZ1 LYS 28 1.179 -3.205 5.199
206 2HZ LYS 28 HZ2 LYS 28 0.515 -4.268 4.052
207 3HZ LYS 28 HZ3 LYS 28 -0.195 -2.746 4.309
208 H CYS 29 HN CYS 29 -3.848 -2.547 3.747
209 HA CYS 29 HA CYS 29 -6.610 -2.701 3.047
210 1HB CYS 29 HB2 CYS 29 -3.918 -3.089 1.589
211 2HB CYS 29 HB3 CYS 29 -5.430 -3.630 0.798
212 H LYS 30 HN LYS 30 -7.690 -4.451 4.071
213 HA LYS 30 HA LYS 30 -6.673 -7.166 3.503
214 1HB LYS 30 HB2 LYS 30 -9.148 -6.187 5.038
215 2HB LYS 30 HB3 LYS 30 -8.610 -7.896 4.895
216 1HG LYS 30 HG3 LYS 30 -7.105 -5.570 6.248
217 2HG LYS 30 HG2 LYS 30 -8.006 -6.897 7.066
218 1HD LYS 30 HD3 LYS 30 -6.387 -8.573 6.135
219 2HD LYS 30 HD2 LYS 30 -5.468 -7.237 5.348
220 1HE LYS 30 HE3 LYS 30 -4.999 -6.216 7.586
221 2HE LYS 30 HE2 LYS 30 -5.848 -7.604 8.387
222 1HZ LYS 30 HZ1 LYS 30 -4.278 -9.084 7.326
223 2HZ LYS 30 HZ2 LYS 30 -3.492 -7.775 6.580
224 3HZ LYS 30 HZ3 LYS 30 -3.484 -7.918 8.272
225 H CYS 31 HN CYS 31 -6.736 -7.003 1.271
226 HA CYS 31 HA CYS 31 -9.004 -6.327 -0.333
227 1HB CYS 31 HB3 CYS 31 -6.600 -5.865 -1.001
228 2HB CYS 31 HB2 CYS 31 -6.339 -7.600 -1.173
229 H ASN 32 HN ASN 32 -10.056 -7.610 -1.991
230 HA ASN 32 HA ASN 32 -10.161 -10.532 -1.550
231 1HB ASN 32 HB2 ASN 32 -11.858 -9.340 -0.028
232 2HB ASN 32 HB3 ASN 32 -12.637 -8.628 -1.478
233 1HD2 ASN 32 HD2 ASN 32 -14.628 -9.841 -0.535
234 2HD2 ASN 32 HD2 ASN 32 -14.809 -11.400 -1.323
235 H ARG 33 HN ARG 33 -12.049 -11.244 -3.249
236 HA ARG 33 HA ARG 33 -11.289 -10.322 -5.963
237 1HB ARG 33 HB2 ARG 33 -12.165 -12.716 -6.574
238 2HB ARG 33 HB3 ARG 33 -10.737 -12.573 -5.569
239 1HG ARG 33 HG2 ARG 33 -11.896 -14.380 -4.720
240 2HG ARG 33 HG3 ARG 33 -11.837 -13.132 -3.468
241 1HD ARG 33 HD2 ARG 33 -14.361 -14.145 -5.002
242 2HD ARG 33 HD3 ARG 33 -13.814 -14.471 -3.317
243 HE ARG 33 HE ARG 33 -14.238 -11.549 -3.821
244 1HH1 ARG 33 HH1 ARG 33 -15.921 -14.537 -2.816
245 2HH1 ARG 33 HH1 ARG 33 -17.347 -13.634 -2.441
246 1HH2 ARG 33 HH2 ARG 33 -16.077 -10.607 -3.414
247 2HH2 ARG 33 HH2 ARG 33 -17.470 -11.475 -2.805
248 H CYS 34 HN CYS 34 -13.320 -10.447 -7.596
249 HA CYS 34 HA CYS 34 -15.785 -9.566 -6.227
250 1HB CYS 34 HB2 CYS 34 -16.354 -9.050 -8.781
251 2HB CYS 34 HB3 CYS 34 -15.398 -7.935 -7.781
252 1HN NH2 35 HT1 CYS 34 -15.877 -12.090 -5.528
253 2HN NH2 35 HT2 CYS 34 -16.681 -13.068 -6.724
Start of MODEL 2
1 2H ALA 1 HN2 ALA 1 0.686 -2.485 2.569
2 H ALA 1 HN ALA 1 -0.833 -3.115 2.170
3 3H ALA 1 HN3 ALA 1 0.401 -3.061 0.998
4 HA ALA 1 HA ALA 1 0.333 -0.673 0.984
5 1HB ALA 1 HB1 ALA 1 -1.909 -0.507 -0.198
6 2HB ALA 1 HB2 ALA 1 -1.120 -2.053 -0.599
7 3HB ALA 1 HB3 ALA 1 -2.463 -2.021 0.596
8 H SER 2 HN SER 2 -0.890 1.384 1.555
9 HA SER 2 HA SER 2 -1.817 1.352 4.320
10 1HB SER 2 HB3 SER 2 -1.309 3.885 4.077
11 2HB SER 2 HB2 SER 2 0.083 2.779 3.896
12 HG SER 2 HG SER 2 -1.280 4.225 1.917
13 H CYS 3 HN CYS 3 -3.779 2.370 4.923
14 HA CYS 3 HA CYS 3 -5.508 3.624 3.017
15 1HB CYS 3 HB2 CYS 3 -7.488 2.072 3.426
16 2HB CYS 3 HB3 CYS 3 -6.151 1.317 2.532
17 H ARG 4 HN ARG 4 -7.206 4.767 4.141
18 HA ARG 4 HA ARG 4 -6.806 5.082 7.074
19 1HB ARG 4 HB2 ARG 4 -7.895 7.052 4.971
20 2HB ARG 4 HB3 ARG 4 -7.955 7.342 6.742
21 1HG ARG 4 HG3 ARG 4 -5.331 7.025 5.161
22 2HG ARG 4 HG2 ARG 4 -6.201 8.527 5.605
23 1HD ARG 4 HD2 ARG 4 -4.557 8.431 7.234
24 2HD ARG 4 HD3 ARG 4 -6.030 7.797 8.090
25 HE ARG 4 HE ARG 4 -4.607 5.523 6.995
26 1HH1 ARG 4 HH2 ARG 4 -4.328 7.858 9.666
27 2HH1 ARG 4 HH2 ARG 4 -3.184 6.832 10.480
28 1HH2 ARG 4 HH1 ARG 4 -2.890 4.552 7.998
29 2HH2 ARG 4 HH1 ARG 4 -2.470 5.056 9.631
30 H THR 5 HN THR 5 -9.393 5.232 4.525
31 HA THR 5 HA THR 5 -11.158 3.667 6.271
32 HB THR 5 HB THR 5 -13.061 4.708 4.994
33 HG1 THR 5 HG1 THR 5 -12.403 6.800 4.068
34 1HG2 THR 5 HG2 THR 5 -11.191 6.700 6.473
35 2HG2 THR 5 HG2 THR 5 -12.957 6.899 6.218
36 3HG2 THR 5 HG2 THR 5 -12.349 5.576 7.270
37 HA PRO 6 HA PRO 6 -10.852 0.507 3.119
38 1HB PRO 6 HB3 PRO 6 -13.947 0.607 2.987
39 2HB PRO 6 HB2 PRO 6 -12.874 -0.837 3.038
40 1HG PRO 6 HG3 PRO 6 -14.052 0.021 5.342
41 2HG PRO 6 HG2 PRO 6 -12.255 -0.239 5.389
42 1HD PRO 6 HD2 PRO 6 -13.706 2.424 4.906
43 2HD PRO 6 HD3 PRO 6 -12.422 1.993 6.142
44 H LYS 7 HN LYS 7 -12.795 3.296 2.065
45 HA LYS 7 HA LYS 7 -12.983 2.629 -0.707
46 1HB LYS 7 HB3 LYS 7 -13.417 5.298 0.718
47 2HB LYS 7 HB2 LYS 7 -13.893 4.894 -0.969
48 1HG LYS 7 HG3 LYS 7 -15.358 3.057 -0.127
49 2HG LYS 7 HG2 LYS 7 -14.973 3.516 1.565
50 1HD LYS 7 HD3 LYS 7 -15.848 5.831 1.114
51 2HD LYS 7 HD2 LYS 7 -16.341 5.306 -0.534
52 1HE LYS 7 HE3 LYS 7 -17.377 4.083 2.127
53 2HE LYS 7 HE2 LYS 7 -18.263 5.287 1.103
54 1HZ LYS 7 HZ1 LYS 7 -18.241 3.703 -0.694
55 2HZ LYS 7 HZ2 LYS 7 -17.405 2.572 0.259
56 3HZ LYS 7 HZ3 LYS 7 -18.976 3.052 0.691
57 H ASP 8 HN ASP 8 -10.173 3.501 1.081
58 HA ASP 8 HA ASP 8 -8.921 4.921 -1.160
59 1HB ASP 8 HB2 ASP 8 -7.930 4.318 1.707
60 2HB ASP 8 HB3 ASP 8 -7.027 5.263 0.453
61 H CYS 9 HN CYS 9 -9.477 1.602 -0.228
62 HA CYS 9 HA CYS 9 -6.854 0.803 -1.296
63 1HB CYS 9 HB3 CYS 9 -7.879 -0.031 0.980
64 2HB CYS 9 HB2 CYS 9 -8.753 -1.195 -0.010
65 H ALA 10 HN ALA 10 -9.785 1.589 -2.537
66 HA ALA 10 HA ALA 10 -10.400 -0.345 -4.364
67 1HB ALA 10 HB1 ALA 10 -11.859 1.579 -3.753
68 2HB ALA 10 HB2 ALA 10 -10.763 2.707 -4.604
69 3HB ALA 10 HB3 ALA 10 -11.703 1.477 -5.530
70 H ASP 11 HN ASP 11 -8.055 2.345 -4.861
71 HA ASP 11 HA ASP 11 -7.427 1.510 -7.566
72 1HB ASP 11 HB2 ASP 11 -7.371 4.074 -6.715
73 2HB ASP 11 HB3 ASP 11 -5.992 3.635 -5.752
74 HA PRO 12 HA PRO 12 -3.487 -0.522 -5.562
75 1HB PRO 12 HB3 PRO 12 -4.608 -0.967 -2.700
76 2HB PRO 12 HB2 PRO 12 -2.893 -0.733 -3.220
77 1HG PRO 12 HG2 PRO 12 -4.448 1.229 -2.059
78 2HG PRO 12 HG3 PRO 12 -3.277 1.641 -3.396
79 1HD PRO 12 HD2 PRO 12 -6.305 1.310 -3.541
80 2HD PRO 12 HD3 PRO 12 -5.179 2.495 -4.316
81 H CYS 13 HN CYS 13 -6.799 -1.470 -4.335
82 HA CYS 13 HA CYS 13 -6.261 -4.268 -4.665
83 1HB CYS 13 HB2 CYS 13 -7.669 -3.471 -2.852
84 2HB CYS 13 HB3 CYS 13 -8.894 -2.925 -4.024
85 H ARG 14 HN ARG 14 -7.645 -1.779 -6.772
86 HA ARG 14 HA ARG 14 -8.433 -3.611 -8.879
87 1HB ARG 14 HB3 ARG 14 -9.404 -1.444 -8.637
88 2HB ARG 14 HB2 ARG 14 -7.831 -0.583 -8.781
89 1HG ARG 14 HG3 ARG 14 -7.653 -1.302 -11.168
90 2HG ARG 14 HG2 ARG 14 -9.161 -2.250 -10.980
91 1HD ARG 14 HD3 ARG 14 -8.865 0.828 -11.198
92 2HD ARG 14 HD2 ARG 14 -9.971 -0.271 -12.123
93 HE ARG 14 HE ARG 14 -10.713 -0.593 -9.419
94 1HH1 ARG 14 HH1 ARG 14 -10.902 2.161 -11.500
95 2HH1 ARG 14 HH1 ARG 14 -11.521 3.195 -10.253
96 1HH2 ARG 14 HH2 ARG 14 -11.091 0.687 -7.835
97 2HH2 ARG 14 HH2 ARG 14 -11.621 2.321 -8.108
98 H LYS 15 HN LYS 15 -5.405 -2.622 -7.769
99 HA LYS 15 HA LYS 15 -4.111 -3.294 -10.292
100 1HB LYS 15 HB2 LYS 15 -3.423 -1.247 -9.161
101 2HB LYS 15 HB3 LYS 15 -2.966 -2.137 -7.685
102 1HG LYS 15 HG3 LYS 15 -1.044 -1.429 -9.052
103 2HG LYS 15 HG2 LYS 15 -1.062 -3.220 -8.899
104 1HD LYS 15 HD3 LYS 15 -1.968 -3.353 -11.235
105 2HD LYS 15 HD2 LYS 15 -2.089 -1.551 -11.261
106 1HE LYS 15 HE3 LYS 15 -0.097 -2.305 -12.542
107 2HE LYS 15 HE2 LYS 15 0.396 -1.347 -11.086
108 1HZ LYS 15 HZ1 LYS 15 0.361 -4.311 -11.315
109 2HZ LYS 15 HZ2 LYS 15 1.728 -3.304 -11.377
110 3HZ LYS 15 HZ3 LYS 15 0.821 -3.419 -9.946
111 H GLU 16 HN GLU 16 -4.202 -4.431 -6.801
112 HA GLU 16 HA GLU 16 -2.476 -6.712 -7.415
113 1HB GLU 16 HB2 GLU 16 -2.335 -7.261 -5.001
114 2HB GLU 16 HB3 GLU 16 -1.925 -5.554 -5.280
115 1HG GLU 16 HG3 GLU 16 -4.434 -5.094 -4.758
116 2HG GLU 16 HG2 GLU 16 -4.525 -6.759 -4.108
117 H THR 17 HN THR 17 -5.981 -6.434 -6.455
118 HA THR 17 HA THR 17 -6.159 -9.345 -7.035
119 HB THR 17 HB THR 17 -8.113 -9.692 -5.988
120 HG1 THR 17 HG1 THR 17 -9.411 -8.083 -5.044
121 1HG2 THR 17 HG2 THR 17 -6.116 -9.223 -4.455
122 2HG2 THR 17 HG2 THR 17 -6.740 -7.548 -4.232
123 3HG2 THR 17 HG2 THR 17 -7.708 -8.945 -3.666
124 H GLY 18 HN GLY 18 -7.333 -6.151 -7.963
125 1HA GLY 18 HA1 GLY 18 -7.616 -5.527 -10.188
126 2HA GLY 18 HA2 GLY 18 -8.201 -7.141 -10.614
127 H CYS 19 HN CYS 19 -9.514 -6.355 -7.632
128 HA CYS 19 HA CYS 19 -11.961 -5.166 -8.867
129 1HB CYS 19 HB2 CYS 19 -11.699 -7.620 -7.091
130 2HB CYS 19 HB3 CYS 19 -13.254 -6.780 -7.343
131 HA PRO 20 HA PRO 20 -11.045 -2.770 -5.105
132 1HB PRO 20 HB3 PRO 20 -13.021 -0.750 -5.375
133 2HB PRO 20 HB2 PRO 20 -11.696 -0.951 -6.579
134 1HG PRO 20 HG3 PRO 20 -14.378 -2.109 -6.703
135 2HG PRO 20 HG2 PRO 20 -13.669 -1.004 -7.933
136 1HD PRO 20 HD3 PRO 20 -13.502 -3.718 -8.291
137 2HD PRO 20 HD2 PRO 20 -11.992 -2.709 -8.540
138 H TYR 21 HN TYR 21 -12.286 -5.189 -4.330
139 HA TYR 21 HA TYR 21 -14.535 -4.441 -2.524
140 1HB TYR 21 HB3 TYR 21 -13.553 -7.307 -3.512
141 2HB TYR 21 HB2 TYR 21 -14.664 -7.040 -2.171
142 HD1 TYR 21 HD1 TYR 21 -15.429 -4.634 -4.959
143 HD2 TYR 21 HD2 TYR 21 -15.904 -8.615 -3.343
144 HE1 TYR 21 HE1 TYR 21 -17.318 -5.059 -6.471
145 HE2 TYR 21 HE2 TYR 21 -17.765 -9.005 -4.794
146 HH TYR 21 HH TYR 21 -18.952 -8.236 -6.553
147 H GLY 22 HN GLY 22 -13.155 -3.351 -0.803
148 1HA GLY 22 HA1 GLY 22 -11.835 -5.523 0.775
149 2HA GLY 22 HA2 GLY 22 -10.843 -4.079 0.281
150 H LYS 23 HN LYS 23 -10.854 -4.925 2.826
151 HA LYS 23 HA LYS 23 -12.415 -2.923 4.303
152 1HB LYS 23 HB2 LYS 23 -13.079 -5.334 4.737
153 2HB LYS 23 HB3 LYS 23 -11.393 -5.717 5.210
154 1HG LYS 23 HG2 LYS 23 -11.692 -4.107 7.206
155 2HG LYS 23 HG3 LYS 23 -13.340 -3.739 6.592
156 1HD LYS 23 HD3 LYS 23 -13.904 -6.196 6.800
157 2HD LYS 23 HD2 LYS 23 -12.319 -6.463 7.605
158 1HE LYS 23 HE2 LYS 23 -14.586 -4.581 8.595
159 2HE LYS 23 HE3 LYS 23 -14.246 -6.244 9.226
160 1HZ LYS 23 HZ1 LYS 23 -12.077 -5.483 9.909
161 2HZ LYS 23 HZ2 LYS 23 -12.393 -3.923 9.318
162 3HZ LYS 23 HZ3 LYS 23 -13.308 -4.545 10.607
163 H CYS 24 HN CYS 24 -11.254 -1.948 6.015
164 HA CYS 24 HA CYS 24 -8.308 -2.100 5.906
165 1HB CYS 24 HB2 CYS 24 -9.185 -0.153 4.579
166 2HB CYS 24 HB3 CYS 24 -10.112 0.392 5.980
167 H MET 25 HN MET 25 -7.365 -1.992 7.945
168 HA MET 25 HA MET 25 -9.160 -1.695 10.290
169 1HB MET 25 HB3 MET 25 -7.191 -4.036 9.738
170 2HB MET 25 HB2 MET 25 -8.043 -3.822 11.299
171 1HG MET 25 HG2 MET 25 -10.193 -4.328 10.324
172 2HG MET 25 HG3 MET 25 -9.532 -4.409 8.671
173 1HE MET 25 HE1 MET 25 -6.717 -6.023 8.967
174 2HE MET 25 HE2 MET 25 -7.435 -7.578 8.449
175 3HE MET 25 HE3 MET 25 -7.997 -6.037 7.708
176 H ASN 26 HN ASN 26 -7.590 0.138 9.311
177 HA ASN 26 HA ASN 26 -6.323 1.806 10.059
178 1HB ASN 26 HB2 ASN 26 -7.008 1.203 12.397
179 2HB ASN 26 HB3 ASN 26 -5.494 0.266 12.568
180 1HD2 ASN 26 HD2 ASN 26 -6.559 3.663 11.578
181 2HD2 ASN 26 HD2 ASN 26 -5.260 4.402 12.475
182 H ARG 27 HN ARG 27 -4.656 1.979 8.406
183 HA ARG 27 HA ARG 27 -2.793 2.012 7.498
184 1HB ARG 27 HB3 ARG 27 -1.005 0.716 9.536
185 2HB ARG 27 HB2 ARG 27 -0.840 2.157 8.471
186 1HG ARG 27 HG3 ARG 27 -2.781 3.086 10.136
187 2HG ARG 27 HG2 ARG 27 -2.198 1.780 11.197
188 1HD ARG 27 HD2 ARG 27 0.034 2.854 11.398
189 2HD ARG 27 HD3 ARG 27 -0.441 4.094 10.149
190 HE ARG 27 HE ARG 27 -2.295 3.689 12.465
191 1HH1 ARG 27 HH1 ARG 27 0.306 5.756 11.300
192 2HH1 ARG 27 HH1 ARG 27 -0.239 7.116 12.200
193 1HH2 ARG 27 HH2 ARG 27 -2.780 5.351 13.723
194 2HH2 ARG 27 HH2 ARG 27 -2.032 6.888 13.549
195 H LYS 28 HN LYS 28 -4.265 -0.840 7.759
196 HA LYS 28 HA LYS 28 -2.599 -2.112 5.706
197 1HB LYS 28 HB3 LYS 28 -2.012 -2.952 8.092
198 2HB LYS 28 HB2 LYS 28 -3.659 -3.636 8.177
199 1HG LYS 28 HG3 LYS 28 -2.963 -4.989 5.988
200 2HG LYS 28 HG2 LYS 28 -1.331 -4.275 6.219
201 1HD LYS 28 HD2 LYS 28 -1.233 -6.458 7.171
202 2HD LYS 28 HD3 LYS 28 -1.285 -5.311 8.554
203 1HE LYS 28 HE2 LYS 28 -2.732 -7.268 9.020
204 2HE LYS 28 HE3 LYS 28 -3.806 -5.836 8.777
205 1HZ LYS 28 HZ1 LYS 28 -3.129 -7.905 6.746
206 2HZ LYS 28 HZ2 LYS 28 -4.587 -7.765 7.608
207 3HZ LYS 28 HZ3 LYS 28 -4.137 -6.560 6.500
208 H CYS 29 HN CYS 29 -3.801 -3.096 4.132
209 HA CYS 29 HA CYS 29 -6.727 -3.064 4.277
210 1HB CYS 29 HB2 CYS 29 -4.894 -3.735 1.862
211 2HB CYS 29 HB3 CYS 29 -6.679 -3.578 1.832
212 H LYS 30 HN LYS 30 -7.962 -4.906 3.962
213 HA LYS 30 HA LYS 30 -6.669 -7.528 3.470
214 1HB LYS 30 HB3 LYS 30 -7.428 -7.436 5.836
215 2HB LYS 30 HB2 LYS 30 -9.044 -6.862 5.322
216 1HG LYS 30 HG2 LYS 30 -9.451 -9.096 4.201
217 2HG LYS 30 HG3 LYS 30 -7.765 -9.591 4.596
218 1HD LYS 30 HD3 LYS 30 -9.327 -10.620 6.176
219 2HD LYS 30 HD2 LYS 30 -8.257 -9.461 7.028
220 1HE LYS 30 HE2 LYS 30 -10.124 -7.768 7.102
221 2HE LYS 30 HE3 LYS 30 -11.184 -8.904 6.171
222 1HZ LYS 30 HZ1 LYS 30 -10.982 -10.470 7.969
223 2HZ LYS 30 HZ2 LYS 30 -9.985 -9.405 8.838
224 3HZ LYS 30 HZ3 LYS 30 -11.596 -8.982 8.509
225 H CYS 31 HN CYS 31 -7.129 -7.640 1.215
226 HA CYS 31 HA CYS 31 -9.766 -6.585 0.398
227 1HB CYS 31 HB2 CYS 31 -7.477 -5.671 -0.522
228 2HB CYS 31 HB3 CYS 31 -7.562 -7.064 -1.623
229 H ASN 32 HN ASN 32 -10.692 -7.538 -1.625
230 HA ASN 32 HA ASN 32 -10.694 -10.491 -1.567
231 1HB ASN 32 HB2 ASN 32 -12.594 -9.447 -0.128
232 2HB ASN 32 HB3 ASN 32 -13.208 -8.595 -1.581
233 1HD2 ASN 32 HD2 ASN 32 -12.138 -12.034 -0.877
234 2HD2 ASN 32 HD2 ASN 32 -13.629 -12.662 -1.565
235 H ARG 33 HN ARG 33 -12.566 -10.878 -3.653
236 HA ARG 33 HA ARG 33 -11.536 -9.382 -5.961
237 1HB ARG 33 HB2 ARG 33 -11.265 -11.353 -7.228
238 2HB ARG 33 HB3 ARG 33 -10.632 -11.798 -5.636
239 1HG ARG 33 HG2 ARG 33 -13.396 -12.640 -6.795
240 2HG ARG 33 HG3 ARG 33 -11.889 -13.565 -6.665
241 1HD ARG 33 HD2 ARG 33 -13.046 -14.454 -4.994
242 2HD ARG 33 HD3 ARG 33 -12.056 -13.261 -4.063
243 HE ARG 33 HE ARG 33 -14.289 -11.699 -4.295
244 1HH1 ARG 33 HH1 ARG 33 -14.330 -15.321 -3.900
245 2HH1 ARG 33 HH1 ARG 33 -15.731 -15.229 -2.908
246 1HH2 ARG 33 HH2 ARG 33 -15.871 -11.851 -2.737
247 2HH2 ARG 33 HH2 ARG 33 -16.581 -13.378 -2.261
248 H CYS 34 HN CYS 34 -13.249 -9.521 -7.802
249 HA CYS 34 HA CYS 34 -15.982 -9.421 -6.751
250 1HB CYS 34 HB3 CYS 34 -16.569 -7.994 -8.593
251 2HB CYS 34 HB2 CYS 34 -15.340 -7.282 -7.533
252 1HN NH2 35 HT1 CYS 34 -15.635 -11.879 -6.874
253 2HN NH2 35 HT2 CYS 34 -16.155 -12.588 -8.384
Start of MODEL 3
1 2H ALA 1 HN2 ALA 1 0.756 -2.617 1.935
2 H ALA 1 HN ALA 1 -0.837 -3.123 1.761
3 3H ALA 1 HN3 ALA 1 0.199 -3.107 0.394
4 HA ALA 1 HA ALA 1 0.340 -0.622 0.730
5 1HB ALA 1 HB1 ALA 1 -1.230 -1.699 -0.988
6 2HB ALA 1 HB2 ALA 1 -2.524 -1.823 0.262
7 3HB ALA 1 HB3 ALA 1 -1.959 -0.219 -0.310
8 H SER 2 HN SER 2 -1.274 1.296 1.693
9 HA SER 2 HA SER 2 -2.378 0.458 4.265
10 1HB SER 2 HB3 SER 2 0.010 1.353 4.621
11 2HB SER 2 HB2 SER 2 -0.574 2.953 4.074
12 HG SER 2 HG SER 2 -1.744 1.383 6.203
13 H CYS 3 HN CYS 3 -3.756 2.240 5.176
14 HA CYS 3 HA CYS 3 -5.056 4.029 3.310
15 1HB CYS 3 HB2 CYS 3 -7.355 2.750 3.523
16 2HB CYS 3 HB3 CYS 3 -6.085 2.047 2.517
17 H ARG 4 HN ARG 4 -7.295 4.696 4.570
18 HA ARG 4 HA ARG 4 -6.763 4.999 7.472
19 1HB ARG 4 HB2 ARG 4 -7.867 7.227 5.610
20 2HB ARG 4 HB3 ARG 4 -7.834 7.286 7.398
21 1HG ARG 4 HG3 ARG 4 -5.402 7.397 5.519
22 2HG ARG 4 HG2 ARG 4 -6.194 8.684 6.466
23 1HD ARG 4 HD3 ARG 4 -4.466 8.315 7.917
24 2HD ARG 4 HD2 ARG 4 -5.578 7.064 8.578
25 HE ARG 4 HE ARG 4 -4.395 5.376 7.012
26 1HH1 ARG 4 HH2 ARG 4 -2.553 8.381 7.569
27 2HH1 ARG 4 HH2 ARG 4 -1.091 7.598 7.119
28 1HH2 ARG 4 HH1 ARG 4 -2.631 4.526 6.555
29 2HH2 ARG 4 HH1 ARG 4 -1.107 5.296 6.788
30 H THR 5 HN THR 5 -9.210 5.445 4.813
31 HA THR 5 HA THR 5 -11.182 3.924 6.361
32 HB THR 5 HB THR 5 -12.901 5.091 4.957
33 HG1 THR 5 HG1 THR 5 -12.058 7.144 4.102
34 1HG2 THR 5 HG2 THR 5 -12.303 5.905 7.280
35 2HG2 THR 5 HG2 THR 5 -11.056 6.994 6.582
36 3HG2 THR 5 HG2 THR 5 -12.789 7.259 6.204
37 HA PRO 6 HA PRO 6 -10.553 0.957 3.134
38 1HB PRO 6 HB2 PRO 6 -13.472 0.315 2.771
39 2HB PRO 6 HB3 PRO 6 -12.136 -0.678 3.412
40 1HG PRO 6 HG3 PRO 6 -14.098 0.380 5.058
41 2HG PRO 6 HG2 PRO 6 -12.382 0.233 5.600
42 1HD PRO 6 HD3 PRO 6 -13.739 2.736 4.465
43 2HD PRO 6 HD2 PRO 6 -12.734 2.517 5.976
44 H LYS 7 HN LYS 7 -12.476 3.696 2.137
45 HA LYS 7 HA LYS 7 -12.656 3.099 -0.666
46 1HB LYS 7 HB3 LYS 7 -13.037 5.788 0.757
47 2HB LYS 7 HB2 LYS 7 -13.606 5.331 -0.881
48 1HG LYS 7 HG3 LYS 7 -14.572 4.176 1.815
49 2HG LYS 7 HG2 LYS 7 -15.430 5.371 0.801
50 1HD LYS 7 HD3 LYS 7 -14.804 2.461 -0.046
51 2HD LYS 7 HD2 LYS 7 -16.340 3.028 0.671
52 1HE LYS 7 HE3 LYS 7 -15.218 4.007 -2.040
53 2HE LYS 7 HE2 LYS 7 -16.520 2.776 -1.798
54 1HZ LYS 7 HZ1 LYS 7 -17.408 4.942 -2.240
55 2HZ LYS 7 HZ2 LYS 7 -17.831 4.435 -0.676
56 3HZ LYS 7 HZ3 LYS 7 -16.615 5.602 -0.890
57 H ASP 8 HN ASP 8 -9.889 3.960 1.246
58 HA ASP 8 HA ASP 8 -8.623 5.531 -0.856
59 1HB ASP 8 HB3 ASP 8 -7.474 4.608 1.858
60 2HB ASP 8 HB2 ASP 8 -6.781 5.833 0.729
61 H CYS 9 HN CYS 9 -9.008 2.089 -0.253
62 HA CYS 9 HA CYS 9 -6.345 1.598 -1.484
63 1HB CYS 9 HB3 CYS 9 -7.015 0.861 0.972
64 2HB CYS 9 HB2 CYS 9 -7.770 -0.527 0.185
65 H ALA 10 HN ALA 10 -9.326 1.924 -2.500
66 HA ALA 10 HA ALA 10 -10.221 -0.199 -3.939
67 1HB ALA 10 HB1 ALA 10 -11.452 1.861 -3.465
68 2HB ALA 10 HB2 ALA 10 -10.456 2.764 -4.651
69 3HB ALA 10 HB3 ALA 10 -11.541 1.425 -5.192
70 H ASP 11 HN ASP 11 -7.769 2.189 -4.921
71 HA ASP 11 HA ASP 11 -7.366 1.113 -7.577
72 1HB ASP 11 HB2 ASP 11 -5.788 3.330 -6.161
73 2HB ASP 11 HB3 ASP 11 -5.678 2.876 -7.907
74 HA PRO 12 HA PRO 12 -3.360 -0.906 -5.695
75 1HB PRO 12 HB3 PRO 12 -4.325 -0.921 -2.741
76 2HB PRO 12 HB2 PRO 12 -2.628 -0.955 -3.352
77 1HG PRO 12 HG2 PRO 12 -3.857 1.311 -2.361
78 2HG PRO 12 HG3 PRO 12 -2.756 1.423 -3.815
79 1HD PRO 12 HD2 PRO 12 -5.783 1.493 -3.720
80 2HD PRO 12 HD3 PRO 12 -4.595 2.356 -4.786
81 H CYS 13 HN CYS 13 -6.557 -1.480 -4.056
82 HA CYS 13 HA CYS 13 -6.372 -4.305 -4.223
83 1HB CYS 13 HB3 CYS 13 -7.999 -2.850 -2.702
84 2HB CYS 13 HB2 CYS 13 -8.970 -2.756 -4.029
85 H ARG 14 HN ARG 14 -8.098 -1.987 -6.524
86 HA ARG 14 HA ARG 14 -8.808 -4.088 -8.411
87 1HB ARG 14 HB3 ARG 14 -10.121 -2.101 -8.180
88 2HB ARG 14 HB2 ARG 14 -8.736 -1.030 -8.592
89 1HG ARG 14 HG3 ARG 14 -8.644 -1.900 -10.880
90 2HG ARG 14 HG2 ARG 14 -9.896 -3.128 -10.481
91 1HD ARG 14 HD2 ARG 14 -10.537 -1.032 -11.962
92 2HD ARG 14 HD3 ARG 14 -11.724 -1.478 -10.677
93 HE ARG 14 HE ARG 14 -9.970 0.240 -9.358
94 1HH1 ARG 14 HH2 ARG 14 -12.232 0.504 -11.992
95 2HH1 ARG 14 HH2 ARG 14 -12.343 2.229 -11.868
96 1HH2 ARG 14 HH1 ARG 14 -9.850 2.440 -9.477
97 2HH2 ARG 14 HH1 ARG 14 -11.000 3.321 -10.435
98 H LYS 15 HN LYS 15 -5.819 -2.235 -7.905
99 HA LYS 15 HA LYS 15 -4.862 -3.109 -10.517
100 1HB LYS 15 HB2 LYS 15 -3.678 -1.485 -8.266
101 2HB LYS 15 HB3 LYS 15 -2.533 -2.284 -9.379
102 1HG LYS 15 HG3 LYS 15 -2.900 -0.041 -10.117
103 2HG LYS 15 HG2 LYS 15 -3.419 -1.241 -11.356
104 1HD LYS 15 HD3 LYS 15 -5.829 -0.786 -10.653
105 2HD LYS 15 HD2 LYS 15 -5.177 0.396 -9.458
106 1HE LYS 15 HE3 LYS 15 -4.239 1.770 -11.335
107 2HE LYS 15 HE2 LYS 15 -5.006 0.630 -12.522
108 1HZ LYS 15 HZ1 LYS 15 -6.376 2.541 -12.064
109 2HZ LYS 15 HZ2 LYS 15 -7.135 1.126 -11.509
110 3HZ LYS 15 HZ3 LYS 15 -6.404 2.186 -10.402
111 H GLU 16 HN GLU 16 -4.689 -4.400 -7.152
112 HA GLU 16 HA GLU 16 -2.831 -6.495 -8.045
113 1HB GLU 16 HB3 GLU 16 -2.195 -7.073 -5.825
114 2HB GLU 16 HB2 GLU 16 -2.132 -5.306 -5.945
115 1HG GLU 16 HG2 GLU 16 -4.638 -5.544 -4.890
116 2HG GLU 16 HG3 GLU 16 -4.042 -7.175 -4.442
117 H THR 17 HN THR 17 -6.258 -6.587 -6.567
118 HA THR 17 HA THR 17 -6.185 -9.473 -7.279
119 HB THR 17 HB THR 17 -8.367 -9.745 -6.270
120 HG1 THR 17 HG1 THR 17 -9.326 -8.112 -5.145
121 1HG2 THR 17 HG2 THR 17 -7.594 -9.270 -3.888
122 2HG2 THR 17 HG2 THR 17 -6.349 -10.086 -4.899
123 3HG2 THR 17 HG2 THR 17 -6.219 -8.335 -4.540
124 H GLY 18 HN GLY 18 -7.509 -6.460 -8.215
125 1HA GLY 18 HA1 GLY 18 -8.040 -5.884 -10.448
126 2HA GLY 18 HA2 GLY 18 -8.672 -7.491 -10.723
127 H CYS 19 HN CYS 19 -9.724 -6.895 -7.827
128 HA CYS 19 HA CYS 19 -12.398 -5.933 -8.733
129 1HB CYS 19 HB2 CYS 19 -11.529 -7.923 -6.551
130 2HB CYS 19 HB3 CYS 19 -13.215 -7.380 -6.805
131 HA PRO 20 HA PRO 20 -11.088 -2.649 -5.850
132 1HB PRO 20 HB3 PRO 20 -13.155 -0.830 -6.086
133 2HB PRO 20 HB2 PRO 20 -12.137 -1.300 -7.479
134 1HG PRO 20 HG3 PRO 20 -14.729 -2.455 -6.823
135 2HG PRO 20 HG2 PRO 20 -14.245 -1.717 -8.398
136 1HD PRO 20 HD2 PRO 20 -14.082 -4.466 -8.015
137 2HD PRO 20 HD3 PRO 20 -12.751 -3.576 -8.897
138 H TYR 21 HN TYR 21 -12.071 -4.965 -4.240
139 HA TYR 21 HA TYR 21 -13.769 -3.606 -2.183
140 1HB TYR 21 HB3 TYR 21 -13.503 -6.597 -2.808
141 2HB TYR 21 HB2 TYR 21 -14.630 -5.868 -1.597
142 HD1 TYR 21 HD1 TYR 21 -15.164 -7.856 -3.539
143 HD2 TYR 21 HD2 TYR 21 -15.643 -3.597 -3.922
144 HE1 TYR 21 HE1 TYR 21 -16.954 -8.228 -5.149
145 HE2 TYR 21 HE2 TYR 21 -17.407 -3.971 -5.609
146 HH TYR 21 HH TYR 21 -18.536 -7.261 -6.424
147 H GLY 22 HN GLY 22 -12.197 -2.812 -0.828
148 1HA GLY 22 HA1 GLY 22 -10.443 -4.878 0.465
149 2HA GLY 22 HA2 GLY 22 -9.853 -3.225 0.121
150 H LYS 23 HN LYS 23 -10.356 -4.820 2.726
151 HA LYS 23 HA LYS 23 -12.182 -2.906 4.068
152 1HB LYS 23 HB2 LYS 23 -11.548 -5.820 4.866
153 2HB LYS 23 HB3 LYS 23 -12.598 -4.787 5.763
154 1HG LYS 23 HG3 LYS 23 -14.246 -4.536 3.992
155 2HG LYS 23 HG2 LYS 23 -13.382 -5.688 2.931
156 1HD LYS 23 HD3 LYS 23 -13.561 -7.451 4.667
157 2HD LYS 23 HD2 LYS 23 -14.496 -6.331 5.716
158 1HE LYS 23 HE2 LYS 23 -15.361 -7.228 2.876
159 2HE LYS 23 HE3 LYS 23 -15.995 -7.894 4.436
160 1HZ LYS 23 HZ1 LYS 23 -17.425 -6.207 3.529
161 2HZ LYS 23 HZ2 LYS 23 -16.769 -5.694 5.010
162 3HZ LYS 23 HZ3 LYS 23 -16.173 -5.058 3.551
163 H CYS 24 HN CYS 24 -11.261 -1.576 5.367
164 HA CYS 24 HA CYS 24 -8.401 -1.875 6.009
165 1HB CYS 24 HB2 CYS 24 -9.116 -0.132 4.420
166 2HB CYS 24 HB3 CYS 24 -10.136 0.608 5.669
167 H MET 25 HN MET 25 -8.109 -2.590 7.951
168 HA MET 25 HA MET 25 -9.420 -1.318 10.283
169 1HB MET 25 HB3 MET 25 -8.674 -4.276 9.844
170 2HB MET 25 HB2 MET 25 -8.973 -3.638 11.475
171 1HG MET 25 HG2 MET 25 -10.980 -3.790 9.185
172 2HG MET 25 HG3 MET 25 -10.941 -4.772 10.673
173 1HE MET 25 HE1 MET 25 -10.167 -2.338 12.896
174 2HE MET 25 HE2 MET 25 -11.847 -2.150 13.493
175 3HE MET 25 HE3 MET 25 -11.223 -3.784 13.103
176 H ASN 26 HN ASN 26 -7.997 -0.277 11.499
177 HA ASN 26 HA ASN 26 -6.190 0.683 12.181
178 1HB ASN 26 HB2 ASN 26 -6.175 -1.952 13.036
179 2HB ASN 26 HB3 ASN 26 -4.481 -1.820 12.483
180 1HD2 ASN 26 HD2 ASN 26 -3.603 0.624 13.291
181 2HD2 ASN 26 HD2 ASN 26 -3.951 0.872 14.990
182 H ARG 27 HN ARG 27 -6.251 0.688 9.379
183 HA ARG 27 HA ARG 27 -5.213 1.692 7.758
184 1HB ARG 27 HB2 ARG 27 -2.645 1.579 9.220
185 2HB ARG 27 HB3 ARG 27 -2.947 2.558 7.762
186 1HG ARG 27 HG3 ARG 27 -4.383 4.085 8.785
187 2HG ARG 27 HG2 ARG 27 -4.736 3.063 10.202
188 1HD ARG 27 HD3 ARG 27 -2.014 4.392 9.683
189 2HD ARG 27 HD2 ARG 27 -3.311 4.920 10.852
190 HE ARG 27 HE ARG 27 -2.656 2.075 11.194
191 1HH1 ARG 27 HH1 ARG 27 -1.403 5.269 11.908
192 2HH1 ARG 27 HH1 ARG 27 -0.347 4.712 13.151
193 1HH2 ARG 27 HH2 ARG 27 -1.168 1.376 12.597
194 2HH2 ARG 27 HH2 ARG 27 -0.308 2.471 13.640
195 H LYS 28 HN LYS 28 -5.202 -1.492 8.165
196 HA LYS 28 HA LYS 28 -3.257 -2.091 5.979
197 1HB LYS 28 HB2 LYS 28 -4.465 -3.962 8.122
198 2HB LYS 28 HB3 LYS 28 -3.402 -4.485 6.800
199 1HG LYS 28 HG2 LYS 28 -1.497 -3.588 7.606
200 2HG LYS 28 HG3 LYS 28 -2.286 -2.302 8.578
201 1HD LYS 28 HD3 LYS 28 -2.559 -5.272 9.291
202 2HD LYS 28 HD2 LYS 28 -1.221 -4.227 9.894
203 1HE LYS 28 HE3 LYS 28 -2.776 -2.689 11.016
204 2HE LYS 28 HE2 LYS 28 -4.207 -3.589 10.379
205 1HZ LYS 28 HZ1 LYS 28 -3.466 -5.534 11.564
206 2HZ LYS 28 HZ2 LYS 28 -2.122 -4.695 12.180
207 3HZ LYS 28 HZ3 LYS 28 -3.694 -4.216 12.611
208 H CYS 29 HN CYS 29 -4.102 -2.671 3.898
209 HA CYS 29 HA CYS 29 -6.974 -2.852 3.684
210 1HB CYS 29 HB3 CYS 29 -5.370 -3.225 1.118
211 2HB CYS 29 HB2 CYS 29 -6.845 -2.375 1.551
212 H LYS 30 HN LYS 30 -7.895 -4.797 4.119
213 HA LYS 30 HA LYS 30 -6.665 -7.319 3.249
214 1HB LYS 30 HB3 LYS 30 -9.311 -6.719 4.742
215 2HB LYS 30 HB2 LYS 30 -8.580 -8.342 4.473
216 1HG LYS 30 HG2 LYS 30 -6.582 -7.633 5.764
217 2HG LYS 30 HG3 LYS 30 -7.280 -6.011 6.075
218 1HD LYS 30 HD2 LYS 30 -8.920 -8.441 6.930
219 2HD LYS 30 HD3 LYS 30 -7.397 -8.058 7.793
220 1HE LYS 30 HE3 LYS 30 -9.040 -6.974 9.090
221 2HE LYS 30 HE2 LYS 30 -8.231 -5.655 8.151
222 1HZ LYS 30 HZ1 LYS 30 -10.829 -6.965 7.517
223 2HZ LYS 30 HZ2 LYS 30 -10.608 -5.430 8.210
224 3HZ LYS 30 HZ3 LYS 30 -10.096 -5.725 6.618
225 H CYS 31 HN CYS 31 -6.686 -7.290 1.015
226 HA CYS 31 HA CYS 31 -8.893 -6.303 -0.532
227 1HB CYS 31 HB2 CYS 31 -6.603 -5.729 -1.067
228 2HB CYS 31 HB3 CYS 31 -6.197 -7.428 -1.410
229 H ASN 32 HN ASN 32 -10.273 -7.348 -1.861
230 HA ASN 32 HA ASN 32 -10.504 -10.277 -1.483
231 1HB ASN 32 HB3 ASN 32 -12.706 -8.079 -1.707
232 2HB ASN 32 HB2 ASN 32 -13.021 -9.779 -1.274
233 1HD2 ASN 32 HD2 ASN 32 -11.932 -6.793 0.129
234 2HD2 ASN 32 HD2 ASN 32 -11.663 -7.510 1.691
235 H ARG 33 HN ARG 33 -12.260 -11.150 -2.969
236 HA ARG 33 HA ARG 33 -11.552 -10.975 -5.724
237 1HB ARG 33 HB2 ARG 33 -12.512 -13.245 -5.667
238 2HB ARG 33 HB3 ARG 33 -11.664 -13.026 -4.143
239 1HG ARG 33 HG3 ARG 33 -14.756 -12.946 -4.526
240 2HG ARG 33 HG2 ARG 33 -13.730 -14.226 -3.853
241 1HD ARG 33 HD3 ARG 33 -14.773 -13.381 -2.006
242 2HD ARG 33 HD2 ARG 33 -13.157 -12.605 -1.865
243 HE ARG 33 HE ARG 33 -14.486 -10.613 -3.224
244 1HH1 ARG 33 HH1 ARG 33 -15.954 -12.580 -0.634
245 2HH1 ARG 33 HH1 ARG 33 -17.220 -11.420 -0.410
246 1HH2 ARG 33 HH2 ARG 33 -16.216 -9.367 -2.922
247 2HH2 ARG 33 HH2 ARG 33 -17.287 -9.600 -1.559
248 H CYS 34 HN CYS 34 -13.605 -11.404 -7.350
249 HA CYS 34 HA CYS 34 -16.137 -10.564 -6.568
250 1HB CYS 34 HB2 CYS 34 -16.460 -8.651 -8.030
251 2HB CYS 34 HB3 CYS 34 -15.149 -8.261 -6.898
252 1HN NH2 35 HT1 CYS 34 -17.499 -10.698 -8.842
253 2HN NH2 35 HT2 CYS 34 -16.858 -11.862 -9.980
Start of MODEL 4
1 2H ALA 1 HN2 ALA 1 -3.205 -3.773 1.065
2 H ALA 1 HN ALA 1 -1.888 -4.304 0.123
3 3H ALA 1 HN3 ALA 1 -1.770 -4.203 1.823
4 HA ALA 1 HA ALA 1 -0.611 -2.313 0.799
5 1HB ALA 1 HB1 ALA 1 -1.954 -2.364 -1.343
6 2HB ALA 1 HB2 ALA 1 -3.411 -1.792 -0.457
7 3HB ALA 1 HB3 ALA 1 -1.996 -0.708 -0.689
8 H SER 2 HN SER 2 -1.309 0.315 1.554
9 HA SER 2 HA SER 2 -2.647 -0.015 4.151
10 1HB SER 2 HB3 SER 2 -0.260 0.634 4.279
11 2HB SER 2 HB2 SER 2 -0.580 2.114 3.320
12 HG SER 2 HG SER 2 -1.997 1.578 5.775
13 H CYS 3 HN CYS 3 -4.041 1.804 4.931
14 HA CYS 3 HA CYS 3 -5.256 3.492 2.872
15 1HB CYS 3 HB2 CYS 3 -7.628 2.534 3.540
16 2HB CYS 3 HB3 CYS 3 -6.584 1.536 2.527
17 H ARG 4 HN ARG 4 -7.089 4.814 3.925
18 HA ARG 4 HA ARG 4 -6.376 5.581 6.691
19 1HB ARG 4 HB3 ARG 4 -7.786 7.322 4.548
20 2HB ARG 4 HB2 ARG 4 -7.226 7.773 6.189
21 1HG ARG 4 HG3 ARG 4 -4.835 7.238 5.373
22 2HG ARG 4 HG2 ARG 4 -5.551 6.924 3.756
23 1HD ARG 4 HD2 ARG 4 -4.542 9.138 3.750
24 2HD ARG 4 HD3 ARG 4 -6.338 9.316 3.623
25 HE ARG 4 HE ARG 4 -4.940 9.438 6.336
26 1HH1 ARG 4 HH1 ARG 4 -6.815 11.185 3.910
27 2HH1 ARG 4 HH1 ARG 4 -6.818 12.636 4.871
28 1HH2 ARG 4 HH2 ARG 4 -5.240 11.153 7.567
29 2HH2 ARG 4 HH2 ARG 4 -6.028 12.580 6.960
30 H THR 5 HN THR 5 -9.044 5.482 4.336
31 HA THR 5 HA THR 5 -10.842 4.103 6.180
32 HB THR 5 HB THR 5 -12.783 5.197 5.021
33 HG1 THR 5 HG1 THR 5 -11.560 7.332 4.101
34 1HG2 THR 5 HG2 THR 5 -10.759 7.228 6.198
35 2HG2 THR 5 HG2 THR 5 -12.547 7.437 6.090
36 3HG2 THR 5 HG2 THR 5 -11.849 6.182 7.174
37 HA PRO 6 HA PRO 6 -10.681 0.993 2.997
38 1HB PRO 6 HB3 PRO 6 -13.764 0.982 2.818
39 2HB PRO 6 HB2 PRO 6 -12.638 -0.414 3.034
40 1HG PRO 6 HG2 PRO 6 -13.979 0.589 5.183
41 2HG PRO 6 HG3 PRO 6 -12.201 0.280 5.328
42 1HD PRO 6 HD2 PRO 6 -13.549 2.973 4.736
43 2HD PRO 6 HD3 PRO 6 -12.301 2.518 6.002
44 H LYS 7 HN LYS 7 -12.500 3.809 1.970
45 HA LYS 7 HA LYS 7 -12.760 3.099 -0.817
46 1HB LYS 7 HB3 LYS 7 -13.300 5.716 0.656
47 2HB LYS 7 HB2 LYS 7 -13.712 5.365 -1.061
48 1HG LYS 7 HG3 LYS 7 -15.120 3.446 -0.370
49 2HG LYS 7 HG2 LYS 7 -14.781 3.780 1.361
50 1HD LYS 7 HD3 LYS 7 -15.796 6.044 1.143
51 2HD LYS 7 HD2 LYS 7 -16.161 5.714 -0.591
52 1HE LYS 7 HE3 LYS 7 -17.641 3.800 0.063
53 2HE LYS 7 HE2 LYS 7 -17.282 4.105 1.811
54 1HZ LYS 7 HZ1 LYS 7 -18.218 6.302 1.568
55 2HZ LYS 7 HZ2 LYS 7 -18.560 6.017 -0.072
56 3HZ LYS 7 HZ3 LYS 7 -19.338 5.102 1.129
57 H ASP 8 HN ASP 8 -9.969 4.008 0.971
58 HA ASP 8 HA ASP 8 -8.735 5.515 -1.222
59 1HB ASP 8 HB3 ASP 8 -7.768 4.588 1.570
60 2HB ASP 8 HB2 ASP 8 -6.754 5.551 0.427
61 H CYS 9 HN CYS 9 -9.344 2.184 -0.607
62 HA CYS 9 HA CYS 9 -6.713 1.439 -1.778
63 1HB CYS 9 HB3 CYS 9 -7.540 0.806 0.649
64 2HB CYS 9 HB2 CYS 9 -8.328 -0.583 -0.149
65 H ALA 10 HN ALA 10 -9.689 1.954 -2.877
66 HA ALA 10 HA ALA 10 -10.466 -0.212 -4.353
67 1HB ALA 10 HB1 ALA 10 -11.873 1.437 -5.593
68 2HB ALA 10 HB2 ALA 10 -11.852 1.760 -3.834
69 3HB ALA 10 HB3 ALA 10 -10.871 2.785 -4.931
70 H ASP 11 HN ASP 11 -8.343 2.463 -5.343
71 HA ASP 11 HA ASP 11 -7.729 1.440 -7.959
72 1HB ASP 11 HB2 ASP 11 -6.435 3.758 -6.415
73 2HB ASP 11 HB3 ASP 11 -6.208 3.403 -8.170
74 HA PRO 12 HA PRO 12 -3.524 -0.082 -6.137
75 1HB PRO 12 HB2 PRO 12 -3.118 -0.415 -3.432
76 2HB PRO 12 HB3 PRO 12 -2.981 1.178 -4.255
77 1HG PRO 12 HG3 PRO 12 -5.393 0.323 -2.874
78 2HG PRO 12 HG2 PRO 12 -4.407 1.813 -2.554
79 1HD PRO 12 HD2 PRO 12 -6.539 1.996 -4.233
80 2HD PRO 12 HD3 PRO 12 -4.963 2.731 -4.740
81 H CYS 13 HN CYS 13 -6.649 -1.109 -4.459
82 HA CYS 13 HA CYS 13 -5.830 -3.872 -4.529
83 1HB CYS 13 HB2 CYS 13 -7.257 -3.184 -2.687
84 2HB CYS 13 HB3 CYS 13 -8.608 -2.875 -3.798
85 H ARG 14 HN ARG 14 -7.589 -1.764 -6.782
86 HA ARG 14 HA ARG 14 -8.332 -3.767 -8.674
87 1HB ARG 14 HB3 ARG 14 -9.345 -1.610 -8.603
88 2HB ARG 14 HB2 ARG 14 -7.793 -0.759 -8.932
89 1HG ARG 14 HG3 ARG 14 -7.747 -1.817 -11.227
90 2HG ARG 14 HG2 ARG 14 -9.197 -2.779 -10.765
91 1HD ARG 14 HD3 ARG 14 -9.142 0.279 -11.367
92 2HD ARG 14 HD2 ARG 14 -9.938 -1.075 -12.278
93 HE ARG 14 HE ARG 14 -10.763 -0.865 -9.423
94 1HH1 ARG 14 HH1 ARG 14 -11.501 0.230 -12.690
95 2HH1 ARG 14 HH1 ARG 14 -13.062 0.788 -12.215
96 1HH2 ARG 14 HH2 ARG 14 -12.781 -0.058 -8.925
97 2HH2 ARG 14 HH2 ARG 14 -13.792 0.581 -10.183
98 H LYS 15 HN LYS 15 -5.334 -2.305 -7.899
99 HA LYS 15 HA LYS 15 -4.029 -2.985 -10.379
100 1HB LYS 15 HB2 LYS 15 -3.732 -0.834 -9.048
101 2HB LYS 15 HB3 LYS 15 -2.775 -1.742 -7.846
102 1HG LYS 15 HG3 LYS 15 -1.221 -2.385 -9.847
103 2HG LYS 15 HG2 LYS 15 -2.178 -1.234 -10.842
104 1HD LYS 15 HD3 LYS 15 -0.486 -0.626 -8.350
105 2HD LYS 15 HD2 LYS 15 -0.109 -0.152 -10.041
106 1HE LYS 15 HE3 LYS 15 -2.467 0.959 -8.331
107 2HE LYS 15 HE2 LYS 15 -0.891 1.772 -8.652
108 1HZ LYS 15 HZ1 LYS 15 -2.615 2.559 -10.085
109 2HZ LYS 15 HZ2 LYS 15 -1.405 1.778 -10.985
110 3HZ LYS 15 HZ3 LYS 15 -2.889 1.002 -10.704
111 H GLU 16 HN GLU 16 -4.001 -4.047 -6.927
112 HA GLU 16 HA GLU 16 -2.044 -6.167 -7.480
113 1HB GLU 16 HB2 GLU 16 -1.736 -6.645 -5.136
114 2HB GLU 16 HB3 GLU 16 -1.671 -4.886 -5.324
115 1HG GLU 16 HG3 GLU 16 -4.343 -5.255 -4.747
116 2HG GLU 16 HG2 GLU 16 -3.714 -6.715 -3.922
117 H THR 17 HN THR 17 -5.629 -6.120 -6.718
118 HA THR 17 HA THR 17 -5.566 -9.034 -7.209
119 HB THR 17 HB THR 17 -7.484 -9.389 -6.033
120 HG1 THR 17 HG1 THR 17 -7.843 -6.676 -5.335
121 1HG2 THR 17 HG2 THR 17 -6.006 -7.248 -4.386
122 2HG2 THR 17 HG2 THR 17 -6.920 -8.661 -3.776
123 3HG2 THR 17 HG2 THR 17 -5.372 -8.921 -4.662
124 H GLY 18 HN GLY 18 -7.587 -6.198 -7.717
125 1HA GLY 18 HA1 GLY 18 -7.968 -5.620 -10.160
126 2HA GLY 18 HA2 GLY 18 -8.644 -7.263 -10.289
127 H CYS 19 HN CYS 19 -9.711 -6.988 -7.444
128 HA CYS 19 HA CYS 19 -12.181 -5.517 -8.212
129 1HB CYS 19 HB2 CYS 19 -11.790 -7.771 -6.178
130 2HB CYS 19 HB3 CYS 19 -13.343 -6.918 -6.453
131 HA PRO 20 HA PRO 20 -10.732 -2.707 -5.058
132 1HB PRO 20 HB2 PRO 20 -12.540 -0.724 -5.539
133 2HB PRO 20 HB3 PRO 20 -11.454 -1.259 -6.867
134 1HG PRO 20 HG3 PRO 20 -14.341 -2.117 -6.275
135 2HG PRO 20 HG2 PRO 20 -13.721 -1.451 -7.837
136 1HD PRO 20 HD3 PRO 20 -13.876 -4.179 -7.282
137 2HD PRO 20 HD2 PRO 20 -12.562 -3.454 -8.333
138 H TYR 21 HN TYR 21 -11.751 -4.823 -3.933
139 HA TYR 21 HA TYR 21 -14.050 -4.292 -2.129
140 1HB TYR 21 HB3 TYR 21 -12.866 -6.901 -3.476
141 2HB TYR 21 HB2 TYR 21 -13.750 -7.031 -1.994
142 HD1 TYR 21 HD1 TYR 21 -15.359 -8.428 -2.888
143 HD2 TYR 21 HD2 TYR 21 -14.934 -4.465 -4.574
144 HE1 TYR 21 HE1 TYR 21 -17.518 -8.658 -4.023
145 HE2 TYR 21 HE2 TYR 21 -17.078 -4.709 -5.664
146 HH TYR 21 HH TYR 21 -18.954 -5.916 -5.799
147 H GLY 22 HN GLY 22 -12.223 -2.961 -0.871
148 1HA GLY 22 HA1 GLY 22 -10.710 -4.948 0.802
149 2HA GLY 22 HA2 GLY 22 -10.019 -3.387 0.345
150 H LYS 23 HN LYS 23 -10.333 -4.722 3.009
151 HA LYS 23 HA LYS 23 -12.226 -2.870 4.321
152 1HB LYS 23 HB3 LYS 23 -11.443 -5.800 4.909
153 2HB LYS 23 HB2 LYS 23 -12.359 -4.768 6.069
154 1HG LYS 23 HG3 LYS 23 -14.277 -4.616 4.539
155 2HG LYS 23 HG2 LYS 23 -13.418 -5.531 3.258
156 1HD LYS 23 HD2 LYS 23 -13.215 -7.492 4.834
157 2HD LYS 23 HD3 LYS 23 -14.208 -6.581 6.025
158 1HE LYS 23 HE2 LYS 23 -15.640 -8.176 4.791
159 2HE LYS 23 HE3 LYS 23 -16.096 -6.496 4.289
160 1HZ LYS 23 HZ1 LYS 23 -14.296 -8.361 2.819
161 2HZ LYS 23 HZ2 LYS 23 -15.907 -7.988 2.430
162 3HZ LYS 23 HZ3 LYS 23 -14.710 -6.786 2.335
163 H CYS 24 HN CYS 24 -11.216 -1.481 5.691
164 HA CYS 24 HA CYS 24 -8.348 -1.558 5.859
165 1HB CYS 24 HB3 CYS 24 -9.891 0.473 5.216
166 2HB CYS 24 HB2 CYS 24 -10.160 0.675 6.954
167 H MET 25 HN MET 25 -7.594 -2.873 7.296
168 HA MET 25 HA MET 25 -8.749 -3.029 10.043
169 1HB MET 25 HB3 MET 25 -7.128 -5.042 8.372
170 2HB MET 25 HB2 MET 25 -7.376 -5.229 10.143
171 1HG MET 25 HG2 MET 25 -9.565 -5.325 7.987
172 2HG MET 25 HG3 MET 25 -8.911 -6.653 8.961
173 1HE MET 25 HE1 MET 25 -9.652 -7.351 11.255
174 2HE MET 25 HE2 MET 25 -8.722 -5.945 11.867
175 3HE MET 25 HE3 MET 25 -10.378 -6.260 12.484
176 H ASN 26 HN ASN 26 -7.812 -1.313 10.940
177 HA ASN 26 HA ASN 26 -6.369 0.032 11.884
178 1HB ASN 26 HB2 ASN 26 -5.928 -2.397 12.852
179 2HB ASN 26 HB3 ASN 26 -4.301 -2.259 12.136
180 1HD2 ASN 26 HD2 ASN 26 -3.436 0.247 12.830
181 2HD2 ASN 26 HD2 ASN 26 -3.643 0.526 14.555
182 H ARG 27 HN ARG 27 -6.305 0.524 9.266
183 HA ARG 27 HA ARG 27 -5.388 1.737 7.725
184 1HB ARG 27 HB3 ARG 27 -2.793 1.817 9.305
185 2HB ARG 27 HB2 ARG 27 -3.128 2.775 7.814
186 1HG ARG 27 HG2 ARG 27 -5.030 3.925 8.887
187 2HG ARG 27 HG3 ARG 27 -4.849 2.916 10.354
188 1HD ARG 27 HD3 ARG 27 -2.512 3.860 10.656
189 2HD ARG 27 HD2 ARG 27 -2.893 5.127 9.432
190 HE ARG 27 HE ARG 27 -4.000 4.854 12.185
191 1HH1 ARG 27 HH1 ARG 27 -4.834 6.099 9.036
192 2HH1 ARG 27 HH1 ARG 27 -6.090 7.129 9.670
193 1HH2 ARG 27 HH2 ARG 27 -5.441 6.314 12.987
194 2HH2 ARG 27 HH2 ARG 27 -6.352 7.286 11.864
195 H LYS 28 HN LYS 28 -5.081 -1.387 7.883
196 HA LYS 28 HA LYS 28 -3.317 -1.672 5.525
197 1HB LYS 28 HB3 LYS 28 -2.879 -2.776 7.931
198 2HB LYS 28 HB2 LYS 28 -4.008 -4.022 7.383
199 1HG LYS 28 HG3 LYS 28 -1.373 -3.089 6.030
200 2HG LYS 28 HG2 LYS 28 -1.578 -4.532 7.081
201 1HD LYS 28 HD3 LYS 28 -3.079 -5.597 5.346
202 2HD LYS 28 HD2 LYS 28 -2.891 -4.140 4.327
203 1HE LYS 28 HE2 LYS 28 -0.315 -4.597 4.388
204 2HE LYS 28 HE3 LYS 28 -0.738 -6.236 5.028
205 1HZ LYS 28 HZ1 LYS 28 -1.708 -4.994 2.490
206 2HZ LYS 28 HZ2 LYS 28 -0.510 -6.189 2.634
207 3HZ LYS 28 HZ3 LYS 28 -2.118 -6.542 3.058
208 H CYS 29 HN CYS 29 -4.330 -2.388 3.619
209 HA CYS 29 HA CYS 29 -7.189 -2.938 3.748
210 1HB CYS 29 HB3 CYS 29 -5.849 -3.163 1.007
211 2HB CYS 29 HB2 CYS 29 -7.353 -2.482 1.590
212 H LYS 30 HN LYS 30 -7.678 -4.956 4.383
213 HA LYS 30 HA LYS 30 -6.254 -7.315 3.353
214 1HB LYS 30 HB2 LYS 30 -6.898 -7.059 5.792
215 2HB LYS 30 HB3 LYS 30 -8.625 -7.037 5.330
216 1HG LYS 30 HG3 LYS 30 -8.426 -9.344 4.419
217 2HG LYS 30 HG2 LYS 30 -6.659 -9.375 4.740
218 1HD LYS 30 HD2 LYS 30 -8.797 -8.960 6.913
219 2HD LYS 30 HD3 LYS 30 -8.170 -10.582 6.468
220 1HE LYS 30 HE3 LYS 30 -6.351 -8.306 7.543
221 2HE LYS 30 HE2 LYS 30 -7.110 -9.598 8.546
222 1HZ LYS 30 HZ1 LYS 30 -5.256 -10.040 6.270
223 2HZ LYS 30 HZ2 LYS 30 -4.877 -10.141 7.921
224 3HZ LYS 30 HZ3 LYS 30 -5.972 -11.242 7.234
225 H CYS 31 HN CYS 31 -6.947 -7.868 1.222
226 HA CYS 31 HA CYS 31 -9.478 -6.686 0.392
227 1HB CYS 31 HB2 CYS 31 -7.232 -6.071 -0.602
228 2HB CYS 31 HB3 CYS 31 -7.339 -7.524 -1.612
229 H ASN 32 HN ASN 32 -10.954 -7.576 -0.989
230 HA ASN 32 HA ASN 32 -11.325 -10.514 -0.724
231 1HB ASN 32 HB2 ASN 32 -12.695 -9.157 0.940
232 2HB ASN 32 HB3 ASN 32 -13.480 -8.290 -0.424
233 1HD2 ASN 32 HD2 ASN 32 -15.074 -9.499 1.444
234 2HD2 ASN 32 HD2 ASN 32 -15.679 -11.018 0.829
235 H ARG 33 HN ARG 33 -13.432 -10.886 -2.574
236 HA ARG 33 HA ARG 33 -12.323 -9.716 -5.087
237 1HB ARG 33 HB3 ARG 33 -11.477 -12.153 -4.100
238 2HB ARG 33 HB2 ARG 33 -12.740 -12.722 -5.185
239 1HG ARG 33 HG2 ARG 33 -10.494 -12.702 -6.175
240 2HG ARG 33 HG3 ARG 33 -11.524 -11.565 -7.105
241 1HD ARG 33 HD2 ARG 33 -9.075 -10.816 -6.655
242 2HD ARG 33 HD3 ARG 33 -10.342 -9.646 -6.170
243 HE ARG 33 HE ARG 33 -9.982 -10.016 -3.893
244 1HH1 ARG 33 HH1 ARG 33 -7.938 -12.251 -5.706
245 2HH1 ARG 33 HH1 ARG 33 -7.012 -12.759 -4.322
246 1HH2 ARG 33 HH2 ARG 33 -8.863 -10.943 -2.102
247 2HH2 ARG 33 HH2 ARG 33 -7.483 -11.972 -2.367
248 H CYS 34 HN CYS 34 -13.392 -10.598 -7.135
249 HA CYS 34 HA CYS 34 -16.195 -11.067 -7.003
250 1HB CYS 34 HB2 CYS 34 -16.813 -9.087 -8.269
251 2HB CYS 34 HB3 CYS 34 -15.985 -8.534 -6.796
252 1HN NH2 35 HT1 CYS 34 -16.739 -11.643 -9.545
253 2HN NH2 35 HT2 CYS 34 -15.360 -12.221 -10.436
Start of MODEL 5
1 2H ALA 1 HN2 ALA 1 -1.781 -3.750 1.559
2 H ALA 1 HN ALA 1 -0.245 -3.669 0.803
3 3H ALA 1 HN3 ALA 1 -0.437 -3.294 2.472
4 HA ALA 1 HA ALA 1 -0.236 -1.306 1.018
5 1HB ALA 1 HB1 ALA 1 -3.051 -2.232 0.009
6 2HB ALA 1 HB2 ALA 1 -2.231 -0.701 -0.446
7 3HB ALA 1 HB3 ALA 1 -1.538 -2.250 -0.969
8 H SER 2 HN SER 2 -1.199 0.719 1.827
9 HA SER 2 HA SER 2 -2.554 0.331 4.392
10 1HB SER 2 HB3 SER 2 -0.527 2.494 3.562
11 2HB SER 2 HB2 SER 2 -1.263 2.307 5.199
12 HG SER 2 HG SER 2 -0.159 0.446 5.471
13 H CYS 3 HN CYS 3 -4.059 1.829 5.138
14 HA CYS 3 HA CYS 3 -5.161 3.853 3.278
15 1HB CYS 3 HB3 CYS 3 -7.600 2.949 3.963
16 2HB CYS 3 HB2 CYS 3 -6.694 2.194 2.710
17 H ARG 4 HN ARG 4 -7.259 4.607 4.567
18 HA ARG 4 HA ARG 4 -6.618 5.467 7.325
19 1HB ARG 4 HB2 ARG 4 -8.092 7.371 5.328
20 2HB ARG 4 HB3 ARG 4 -7.456 7.742 6.947
21 1HG ARG 4 HG3 ARG 4 -5.899 7.177 4.374
22 2HG ARG 4 HG2 ARG 4 -6.239 8.781 5.123
23 1HD ARG 4 HD2 ARG 4 -4.716 8.320 7.008
24 2HD ARG 4 HD3 ARG 4 -4.543 6.602 6.484
25 HE ARG 4 HE ARG 4 -3.821 8.894 4.606
26 1HH1 ARG 4 HH1 ARG 4 -2.869 5.797 6.091
27 2HH1 ARG 4 HH1 ARG 4 -1.268 5.925 5.432
28 1HH2 ARG 4 HH2 ARG 4 -1.801 8.883 3.776
29 2HH2 ARG 4 HH2 ARG 4 -0.704 7.588 4.112
30 H THR 5 HN THR 5 -9.079 5.346 4.679
31 HA THR 5 HA THR 5 -11.041 4.098 6.434
32 HB THR 5 HB THR 5 -12.817 5.307 5.123
33 HG1 THR 5 HG1 THR 5 -11.931 7.319 4.172
34 1HG2 THR 5 HG2 THR 5 -12.002 6.185 7.373
35 2HG2 THR 5 HG2 THR 5 -10.780 7.191 6.518
36 3HG2 THR 5 HG2 THR 5 -12.535 7.512 6.284
37 HA PRO 6 HA PRO 6 -10.554 1.035 3.269
38 1HB PRO 6 HB2 PRO 6 -13.535 0.521 3.078
39 2HB PRO 6 HB3 PRO 6 -12.191 -0.578 3.512
40 1HG PRO 6 HG2 PRO 6 -13.922 0.463 5.408
41 2HG PRO 6 HG3 PRO 6 -12.159 0.304 5.765
42 1HD PRO 6 HD3 PRO 6 -13.626 2.826 4.865
43 2HD PRO 6 HD2 PRO 6 -12.437 2.534 6.230
44 H LYS 7 HN LYS 7 -12.456 3.784 2.254
45 HA LYS 7 HA LYS 7 -12.686 3.055 -0.533
46 1HB LYS 7 HB3 LYS 7 -13.845 5.104 -0.856
47 2HB LYS 7 HB2 LYS 7 -14.417 4.248 0.597
48 1HG LYS 7 HG3 LYS 7 -12.791 5.988 1.921
49 2HG LYS 7 HG2 LYS 7 -12.878 6.880 0.362
50 1HD LYS 7 HD3 LYS 7 -14.530 7.748 1.842
51 2HD LYS 7 HD2 LYS 7 -15.447 6.773 0.636
52 1HE LYS 7 HE3 LYS 7 -15.645 4.899 2.326
53 2HE LYS 7 HE2 LYS 7 -14.614 5.835 3.481
54 1HZ LYS 7 HZ1 LYS 7 -16.274 7.549 3.500
55 2HZ LYS 7 HZ2 LYS 7 -17.245 6.677 2.412
56 3HZ LYS 7 HZ3 LYS 7 -16.927 6.048 3.958
57 H ASP 8 HN ASP 8 -9.845 3.932 1.206
58 HA ASP 8 HA ASP 8 -8.731 5.503 -0.995
59 1HB ASP 8 HB3 ASP 8 -7.474 4.749 1.732
60 2HB ASP 8 HB2 ASP 8 -6.855 5.938 0.526
61 H CYS 9 HN CYS 9 -9.194 2.172 -0.339
62 HA CYS 9 HA CYS 9 -6.530 1.495 -1.525
63 1HB CYS 9 HB3 CYS 9 -7.290 0.927 0.980
64 2HB CYS 9 HB2 CYS 9 -8.036 -0.496 0.231
65 H ALA 10 HN ALA 10 -9.453 1.960 -2.594
66 HA ALA 10 HA ALA 10 -10.311 -0.358 -3.882
67 1HB ALA 10 HB1 ALA 10 -11.726 1.598 -3.372
68 2HB ALA 10 HB2 ALA 10 -10.838 2.581 -4.587
69 3HB ALA 10 HB3 ALA 10 -11.816 1.160 -5.109
70 H ASP 11 HN ASP 11 -8.113 2.269 -4.972
71 HA ASP 11 HA ASP 11 -7.784 1.240 -7.629
72 1HB ASP 11 HB2 ASP 11 -6.463 3.580 -6.160
73 2HB ASP 11 HB3 ASP 11 -6.168 3.168 -7.899
74 HA PRO 12 HA PRO 12 -3.539 -0.616 -6.143
75 1HB PRO 12 HB3 PRO 12 -3.553 -1.242 -3.280
76 2HB PRO 12 HB2 PRO 12 -2.649 0.095 -4.070
77 1HG PRO 12 HG3 PRO 12 -5.377 -0.021 -2.815
78 2HG PRO 12 HG2 PRO 12 -4.129 1.237 -2.503
79 1HD PRO 12 HD3 PRO 12 -6.203 1.777 -4.124
80 2HD PRO 12 HD2 PRO 12 -4.539 2.230 -4.695
81 H CYS 13 HN CYS 13 -6.700 -1.429 -4.561
82 HA CYS 13 HA CYS 13 -6.372 -4.249 -4.723
83 1HB CYS 13 HB3 CYS 13 -8.016 -2.798 -3.168
84 2HB CYS 13 HB2 CYS 13 -9.027 -2.879 -4.499
85 H ARG 14 HN ARG 14 -7.522 -1.841 -7.070
86 HA ARG 14 HA ARG 14 -8.464 -3.722 -9.042
87 1HB ARG 14 HB3 ARG 14 -9.386 -1.540 -9.158
88 2HB ARG 14 HB2 ARG 14 -7.769 -0.738 -9.117
89 1HG ARG 14 HG3 ARG 14 -7.290 -1.533 -11.421
90 2HG ARG 14 HG2 ARG 14 -8.772 -2.547 -11.356
91 1HD ARG 14 HD3 ARG 14 -8.801 0.599 -11.531
92 2HD ARG 14 HD2 ARG 14 -8.891 -0.561 -12.871
93 HE ARG 14 HE ARG 14 -11.075 -1.241 -12.233
94 1HH1 ARG 14 HH1 ARG 14 -9.899 1.082 -9.867
95 2HH1 ARG 14 HH1 ARG 14 -11.511 1.510 -9.408
96 1HH2 ARG 14 HH2 ARG 14 -13.032 -0.655 -11.575
97 2HH2 ARG 14 HH2 ARG 14 -13.238 0.611 -10.407
98 H LYS 15 HN LYS 15 -5.341 -2.840 -8.028
99 HA LYS 15 HA LYS 15 -4.070 -3.668 -10.517
100 1HB LYS 15 HB3 LYS 15 -3.321 -1.610 -9.414
101 2HB LYS 15 HB2 LYS 15 -2.956 -2.480 -7.906
102 1HG LYS 15 HG2 LYS 15 -0.911 -1.911 -9.135
103 2HG LYS 15 HG3 LYS 15 -1.075 -3.697 -9.023
104 1HD LYS 15 HD2 LYS 15 -1.868 -3.856 -11.299
105 2HD LYS 15 HD3 LYS 15 -1.827 -2.066 -11.517
106 1HE LYS 15 HE2 LYS 15 0.628 -3.869 -10.936
107 2HE LYS 15 HE3 LYS 15 0.155 -3.223 -12.562
108 1HZ LYS 15 HZ1 LYS 15 0.850 -1.596 -10.173
109 2HZ LYS 15 HZ2 LYS 15 1.842 -1.893 -11.520
110 3HZ LYS 15 HZ3 LYS 15 0.409 -1.000 -11.700
111 H GLU 16 HN GLU 16 -4.288 -4.728 -7.043
112 HA GLU 16 HA GLU 16 -2.624 -7.078 -7.680
113 1HB GLU 16 HB3 GLU 16 -2.402 -7.561 -5.271
114 2HB GLU 16 HB2 GLU 16 -1.929 -5.891 -5.653
115 1HG GLU 16 HG2 GLU 16 -4.528 -5.394 -5.032
116 2HG GLU 16 HG3 GLU 16 -4.409 -6.985 -4.223
117 H THR 17 HN THR 17 -6.123 -6.680 -6.516
118 HA THR 17 HA THR 17 -6.347 -9.556 -7.192
119 HB THR 17 HB THR 17 -8.516 -9.706 -6.237
120 HG1 THR 17 HG1 THR 17 -9.384 -8.084 -5.012
121 1HG2 THR 17 HG2 THR 17 -7.803 -9.457 -3.814
122 2HG2 THR 17 HG2 THR 17 -6.543 -10.242 -4.827
123 3HG2 THR 17 HG2 THR 17 -6.366 -8.527 -4.327
124 H GLY 18 HN GLY 18 -7.671 -6.336 -7.914
125 1HA GLY 18 HA1 GLY 18 -7.860 -5.676 -10.210
126 2HA GLY 18 HA2 GLY 18 -8.574 -7.243 -10.616
127 H CYS 19 HN CYS 19 -9.764 -6.942 -7.868
128 HA CYS 19 HA CYS 19 -12.376 -5.843 -8.700
129 1HB CYS 19 HB2 CYS 19 -11.551 -7.803 -6.493
130 2HB CYS 19 HB3 CYS 19 -13.223 -7.230 -6.775
131 HA PRO 20 HA PRO 20 -11.353 -2.364 -5.957
132 1HB PRO 20 HB2 PRO 20 -14.332 -1.727 -6.201
133 2HB PRO 20 HB3 PRO 20 -12.896 -0.665 -6.516
134 1HG PRO 20 HG3 PRO 20 -14.479 -1.866 -8.452
135 2HG PRO 20 HG2 PRO 20 -12.668 -1.722 -8.694
136 1HD PRO 20 HD2 PRO 20 -14.296 -4.155 -7.767
137 2HD PRO 20 HD3 PRO 20 -12.932 -3.990 -8.969
138 H TYR 21 HN TYR 21 -12.148 -4.860 -4.349
139 HA TYR 21 HA TYR 21 -13.793 -3.718 -2.148
140 1HB TYR 21 HB3 TYR 21 -13.248 -6.682 -2.925
141 2HB TYR 21 HB2 TYR 21 -14.309 -6.122 -1.591
142 HD1 TYR 21 HD1 TYR 21 -15.397 -3.868 -4.178
143 HD2 TYR 21 HD2 TYR 21 -15.167 -8.060 -3.161
144 HE1 TYR 21 HE1 TYR 21 -17.211 -4.364 -5.732
145 HE2 TYR 21 HE2 TYR 21 -17.061 -8.527 -4.607
146 HH TYR 21 HH TYR 21 -18.603 -7.669 -5.926
147 H GLY 22 HN GLY 22 -12.402 -2.912 -0.531
148 1HA GLY 22 HA1 GLY 22 -10.564 -4.948 0.628
149 2HA GLY 22 HA2 GLY 22 -9.930 -3.309 0.233
150 H LYS 23 HN LYS 23 -10.630 -4.900 2.953
151 HA LYS 23 HA LYS 23 -12.216 -2.738 4.190
152 1HB LYS 23 HB2 LYS 23 -13.083 -4.942 4.545
153 2HB LYS 23 HB3 LYS 23 -11.504 -5.595 5.099
154 1HG LYS 23 HG3 LYS 23 -11.698 -4.181 7.193
155 2HG LYS 23 HG2 LYS 23 -13.194 -3.437 6.533
156 1HD LYS 23 HD2 LYS 23 -14.309 -5.661 6.514
157 2HD LYS 23 HD3 LYS 23 -12.822 -6.436 7.151
158 1HE LYS 23 HE2 LYS 23 -14.501 -4.277 8.625
159 2HE LYS 23 HE3 LYS 23 -14.561 -6.060 8.937
160 1HZ LYS 23 HZ1 LYS 23 -12.238 -5.989 9.521
161 2HZ LYS 23 HZ2 LYS 23 -12.173 -4.317 9.232
162 3HZ LYS 23 HZ3 LYS 23 -13.146 -4.925 10.483
163 H CYS 24 HN CYS 24 -11.311 -1.387 5.654
164 HA CYS 24 HA CYS 24 -8.400 -1.456 5.988
165 1HB CYS 24 HB3 CYS 24 -9.895 0.638 5.386
166 2HB CYS 24 HB2 CYS 24 -10.101 0.810 7.129
167 H MET 25 HN MET 25 -7.592 -2.647 7.520
168 HA MET 25 HA MET 25 -8.864 -2.777 10.229
169 1HB MET 25 HB3 MET 25 -7.179 -4.806 8.605
170 2HB MET 25 HB2 MET 25 -7.460 -5.002 10.370
171 1HG MET 25 HG3 MET 25 -9.865 -5.326 10.051
172 2HG MET 25 HG2 MET 25 -9.720 -5.063 8.290
173 1HE MET 25 HE1 MET 25 -11.192 -7.411 8.551
174 2HE MET 25 HE2 MET 25 -10.505 -8.921 9.238
175 3HE MET 25 HE3 MET 25 -10.813 -7.507 10.304
176 H ASN 26 HN ASN 26 -7.870 -1.080 11.191
177 HA ASN 26 HA ASN 26 -6.321 0.121 12.219
178 1HB ASN 26 HB3 ASN 26 -5.699 -2.419 13.014
179 2HB ASN 26 HB2 ASN 26 -4.195 -2.124 12.126
180 1HD2 ASN 26 HD2 ASN 26 -3.285 0.314 12.923
181 2HD2 ASN 26 HD2 ASN 26 -3.312 0.410 14.694
182 H ARG 27 HN ARG 27 -6.366 0.640 9.475
183 HA ARG 27 HA ARG 27 -5.417 1.977 7.985
184 1HB ARG 27 HB2 ARG 27 -2.804 1.777 9.371
185 2HB ARG 27 HB3 ARG 27 -3.116 2.808 7.937
186 1HG ARG 27 HG2 ARG 27 -4.753 4.143 9.138
187 2HG ARG 27 HG3 ARG 27 -4.456 3.219 10.656
188 1HD ARG 27 HD3 ARG 27 -2.308 4.868 9.106
189 2HD ARG 27 HD2 ARG 27 -3.233 5.423 10.544
190 HE ARG 27 HE ARG 27 -2.081 3.860 11.948
191 1HH1 ARG 27 HH1 ARG 27 -1.018 3.251 8.653
192 2HH1 ARG 27 HH1 ARG 27 0.502 2.585 9.208
193 1HH2 ARG 27 HH2 ARG 27 -0.105 3.055 12.541
194 2HH2 ARG 27 HH2 ARG 27 0.945 2.401 11.321
195 H LYS 28 HN LYS 28 -5.085 -1.265 8.110
196 HA LYS 28 HA LYS 28 -3.428 -1.460 5.653
197 1HB LYS 28 HB2 LYS 28 -3.784 -3.472 7.973
198 2HB LYS 28 HB3 LYS 28 -3.150 -3.961 6.387
199 1HG LYS 28 HG3 LYS 28 -1.879 -1.770 8.093
200 2HG LYS 28 HG2 LYS 28 -1.415 -3.500 8.156
201 1HD LYS 28 HD3 LYS 28 -1.311 -1.792 5.586
202 2HD LYS 28 HD2 LYS 28 0.074 -2.040 6.692
203 1HE LYS 28 HE2 LYS 28 0.159 -4.443 6.222
204 2HE LYS 28 HE3 LYS 28 -1.382 -4.385 5.282
205 1HZ LYS 28 HZ1 LYS 28 0.508 -4.385 3.850
206 2HZ LYS 28 HZ2 LYS 28 -0.343 -2.925 3.703
207 3HZ LYS 28 HZ3 LYS 28 1.121 -2.971 4.560
208 H CYS 29 HN CYS 29 -4.237 -2.476 3.852
209 HA CYS 29 HA CYS 29 -7.126 -2.831 3.862
210 1HB CYS 29 HB3 CYS 29 -5.628 -3.117 1.212
211 2HB CYS 29 HB2 CYS 29 -7.161 -2.370 1.675
212 H LYS 30 HN LYS 30 -8.036 -4.750 4.132
213 HA LYS 30 HA LYS 30 -6.762 -7.251 3.280
214 1HB LYS 30 HB3 LYS 30 -7.938 -7.051 5.481
215 2HB LYS 30 HB2 LYS 30 -9.443 -6.593 4.650
216 1HG LYS 30 HG3 LYS 30 -9.436 -8.906 3.517
217 2HG LYS 30 HG2 LYS 30 -8.038 -9.333 4.576
218 1HD LYS 30 HD2 LYS 30 -9.435 -8.780 6.574
219 2HD LYS 30 HD3 LYS 30 -10.779 -8.255 5.501
220 1HE LYS 30 HE3 LYS 30 -11.043 -10.584 4.635
221 2HE LYS 30 HE2 LYS 30 -9.709 -11.144 5.727
222 1HZ LYS 30 HZ1 LYS 30 -11.871 -11.497 6.684
223 2HZ LYS 30 HZ2 LYS 30 -11.001 -10.361 7.598
224 3HZ LYS 30 HZ3 LYS 30 -12.249 -9.845 6.571
225 H CYS 31 HN CYS 31 -6.672 -6.874 1.016
226 HA CYS 31 HA CYS 31 -8.885 -6.130 -0.620
227 1HB CYS 31 HB2 CYS 31 -6.615 -5.492 -1.145
228 2HB CYS 31 HB3 CYS 31 -6.104 -7.184 -1.325
229 H ASN 32 HN ASN 32 -10.274 -7.257 -1.791
230 HA ASN 32 HA ASN 32 -10.340 -10.227 -1.449
231 1HB ASN 32 HB3 ASN 32 -12.713 -8.255 -1.822
232 2HB ASN 32 HB2 ASN 32 -12.828 -9.972 -1.304
233 1HD2 ASN 32 HD2 ASN 32 -12.552 -6.808 -0.093
234 2HD2 ASN 32 HD2 ASN 32 -12.663 -7.422 1.539
235 H ARG 33 HN ARG 33 -11.905 -11.299 -3.016
236 HA ARG 33 HA ARG 33 -11.361 -10.769 -5.785
237 1HB ARG 33 HB2 ARG 33 -12.528 -13.181 -5.813
238 2HB ARG 33 HB3 ARG 33 -11.050 -12.972 -4.918
239 1HG ARG 33 HG3 ARG 33 -12.551 -14.392 -3.728
240 2HG ARG 33 HG2 ARG 33 -11.978 -13.046 -2.732
241 1HD ARG 33 HD2 ARG 33 -14.897 -13.353 -3.839
242 2HD ARG 33 HD3 ARG 33 -14.243 -13.820 -2.223
243 HE ARG 33 HE ARG 33 -14.036 -10.917 -3.108
244 1HH1 ARG 33 HH1 ARG 33 -16.184 -13.203 -1.475
245 2HH1 ARG 33 HH1 ARG 33 -17.167 -11.899 -0.946
246 1HH2 ARG 33 HH2 ARG 33 -14.749 -9.528 -1.648
247 2HH2 ARG 33 HH2 ARG 33 -16.294 -9.848 -0.942
248 H CYS 34 HN CYS 34 -13.463 -11.222 -7.370
249 HA CYS 34 HA CYS 34 -15.991 -10.553 -6.320
250 1HB CYS 34 HB2 CYS 34 -16.469 -8.677 -7.807
251 2HB CYS 34 HB3 CYS 34 -15.126 -8.225 -6.739
252 1HN NH2 35 HT1 CYS 34 -17.580 -10.991 -8.303
253 2HN NH2 35 HT2 CYS 34 -16.954 -12.008 -9.584
Start of MODEL 6
1 2H ALA 1 HN2 ALA 1 0.423 -3.346 2.049
2 H ALA 1 HN ALA 1 -0.863 -3.115 3.143
3 3H ALA 1 HN3 ALA 1 -1.188 -3.541 1.552
4 HA ALA 1 HA ALA 1 0.310 -1.150 1.659
5 1HB ALA 1 HB1 ALA 1 -1.497 -0.492 -0.029
6 2HB ALA 1 HB2 ALA 1 -0.849 -2.111 -0.391
7 3HB ALA 1 HB3 ALA 1 -2.445 -1.943 0.430
8 H SER 2 HN SER 2 -0.733 1.025 1.976
9 HA SER 2 HA SER 2 -2.015 1.155 4.566
10 1HB SER 2 HB3 SER 2 -0.818 3.347 2.760
11 2HB SER 2 HB2 SER 2 -1.382 3.580 4.463
12 HG SER 2 HG SER 2 0.736 3.174 4.623
13 H CYS 3 HN CYS 3 -3.932 2.283 5.031
14 HA CYS 3 HA CYS 3 -5.510 3.623 3.063
15 1HB CYS 3 HB2 CYS 3 -7.603 2.210 3.438
16 2HB CYS 3 HB3 CYS 3 -6.286 1.377 2.583
17 H ARG 4 HN ARG 4 -7.295 4.802 4.132
18 HA ARG 4 HA ARG 4 -6.907 5.158 7.063
19 1HB ARG 4 HB2 ARG 4 -8.264 7.217 5.150
20 2HB ARG 4 HB3 ARG 4 -7.821 7.388 6.867
21 1HG ARG 4 HG3 ARG 4 -5.999 7.255 4.393
22 2HG ARG 4 HG2 ARG 4 -6.356 8.629 5.491
23 1HD ARG 4 HD2 ARG 4 -5.168 7.248 7.383
24 2HD ARG 4 HD3 ARG 4 -4.640 6.128 6.084
25 HE ARG 4 HE ARG 4 -3.443 7.935 4.971
26 1HH1 ARG 4 HH2 ARG 4 -5.095 9.080 7.771
27 2HH1 ARG 4 HH2 ARG 4 -4.301 10.620 7.759
28 1HH2 ARG 4 HH1 ARG 4 -2.282 9.885 5.068
29 2HH2 ARG 4 HH1 ARG 4 -2.636 11.014 6.317
30 H THR 5 HN THR 5 -9.361 5.335 4.427
31 HA THR 5 HA THR 5 -11.317 3.935 6.092
32 HB THR 5 HB THR 5 -13.070 5.004 4.691
33 HG1 THR 5 HG1 THR 5 -12.190 7.036 3.687
34 1HG2 THR 5 HG2 THR 5 -12.403 6.020 6.904
35 2HG2 THR 5 HG2 THR 5 -11.146 7.020 6.096
36 3HG2 THR 5 HG2 THR 5 -12.886 7.288 5.734
37 HA PRO 6 HA PRO 6 -10.644 0.726 3.101
38 1HB PRO 6 HB2 PRO 6 -13.672 0.302 2.922
39 2HB PRO 6 HB3 PRO 6 -12.365 -0.858 3.251
40 1HG PRO 6 HG2 PRO 6 -13.940 0.154 5.275
41 2HG PRO 6 HG3 PRO 6 -12.140 0.101 5.517
42 1HD PRO 6 HD3 PRO 6 -13.732 2.534 4.645
43 2HD PRO 6 HD2 PRO 6 -12.492 2.266 5.984
44 H LYS 7 HN LYS 7 -12.637 3.363 1.888
45 HA LYS 7 HA LYS 7 -12.796 2.608 -0.847
46 1HB LYS 7 HB2 LYS 7 -12.921 5.383 0.481
47 2HB LYS 7 HB3 LYS 7 -13.471 5.004 -1.185
48 1HG LYS 7 HG2 LYS 7 -14.710 3.813 1.373
49 2HG LYS 7 HG3 LYS 7 -15.300 5.256 0.485
50 1HD LYS 7 HD2 LYS 7 -15.712 3.927 -1.541
51 2HD LYS 7 HD3 LYS 7 -15.104 2.433 -0.744
52 1HE LYS 7 HE3 LYS 7 -16.943 2.508 0.922
53 2HE LYS 7 HE2 LYS 7 -17.528 4.078 0.233
54 1HZ LYS 7 HZ1 LYS 7 -18.777 2.218 -0.580
55 2HZ LYS 7 HZ2 LYS 7 -17.928 2.961 -1.849
56 3HZ LYS 7 HZ3 LYS 7 -17.380 1.485 -1.211
57 H ASP 8 HN ASP 8 -10.058 3.756 1.061
58 HA ASP 8 HA ASP 8 -8.655 4.957 -1.180
59 1HB ASP 8 HB2 ASP 8 -7.677 4.299 1.676
60 2HB ASP 8 HB3 ASP 8 -6.791 5.282 0.451
61 H CYS 9 HN CYS 9 -9.182 1.685 -0.122
62 HA CYS 9 HA CYS 9 -6.641 0.789 -1.313
63 1HB CYS 9 HB3 CYS 9 -7.500 0.195 1.093
64 2HB CYS 9 HB2 CYS 9 -8.494 -1.033 0.316
65 H ALA 10 HN ALA 10 -9.738 1.478 -2.315
66 HA ALA 10 HA ALA 10 -10.445 -0.600 -4.033
67 1HB ALA 10 HB1 ALA 10 -11.040 2.401 -4.272
68 2HB ALA 10 HB2 ALA 10 -11.957 1.057 -5.047
69 3HB ALA 10 HB3 ALA 10 -11.938 1.226 -3.262
70 H ASP 11 HN ASP 11 -8.280 2.191 -4.509
71 HA ASP 11 HA ASP 11 -7.704 1.776 -7.265
72 1HB ASP 11 HB2 ASP 11 -6.230 3.553 -5.223
73 2HB ASP 11 HB3 ASP 11 -6.140 3.669 -7.015
74 HA PRO 12 HA PRO 12 -3.568 -0.350 -5.910
75 1HB PRO 12 HB2 PRO 12 -3.098 -1.154 -3.289
76 2HB PRO 12 HB3 PRO 12 -2.902 0.557 -3.823
77 1HG PRO 12 HG3 PRO 12 -5.338 -0.400 -2.511
78 2HG PRO 12 HG2 PRO 12 -4.247 0.959 -2.010
79 1HD PRO 12 HD2 PRO 12 -6.392 1.548 -3.572
80 2HD PRO 12 HD3 PRO 12 -4.778 2.242 -3.996
81 H CYS 13 HN CYS 13 -6.657 -1.409 -4.298
82 HA CYS 13 HA CYS 13 -6.115 -4.177 -4.723
83 1HB CYS 13 HB2 CYS 13 -7.554 -3.539 -2.879
84 2HB CYS 13 HB3 CYS 13 -8.793 -2.962 -4.018
85 H ARG 14 HN ARG 14 -7.701 -1.690 -6.715
86 HA ARG 14 HA ARG 14 -8.495 -3.401 -8.893
87 1HB ARG 14 HB3 ARG 14 -9.478 -1.179 -8.517
88 2HB ARG 14 HB2 ARG 14 -7.875 -0.366 -8.621
89 1HG ARG 14 HG3 ARG 14 -7.776 -0.939 -11.057
90 2HG ARG 14 HG2 ARG 14 -9.355 -1.795 -10.874
91 1HD ARG 14 HD3 ARG 14 -8.961 1.298 -10.812
92 2HD ARG 14 HD2 ARG 14 -9.896 0.262 -11.961
93 HE ARG 14 HE ARG 14 -10.694 0.095 -9.086
94 1HH1 ARG 14 HH2 ARG 14 -11.336 1.786 -12.079
95 2HH1 ARG 14 HH2 ARG 14 -12.843 2.413 -11.498
96 1HH2 ARG 14 HH1 ARG 14 -12.752 0.691 -8.513
97 2HH2 ARG 14 HH1 ARG 14 -13.693 1.687 -9.573
98 H LYS 15 HN LYS 15 -5.448 -2.499 -7.813
99 HA LYS 15 HA LYS 15 -4.204 -2.916 -10.420
100 1HB LYS 15 HB3 LYS 15 -3.686 -0.898 -9.075
101 2HB LYS 15 HB2 LYS 15 -2.891 -1.894 -7.828
102 1HG LYS 15 HG3 LYS 15 -1.189 -2.606 -9.586
103 2HG LYS 15 HG2 LYS 15 -2.104 -1.656 -10.819
104 1HD LYS 15 HD3 LYS 15 -1.713 0.401 -9.362
105 2HD LYS 15 HD2 LYS 15 -0.683 -0.631 -8.304
106 1HE LYS 15 HE3 LYS 15 -0.158 -0.080 -11.314
107 2HE LYS 15 HE2 LYS 15 0.665 0.762 -9.937
108 1HZ LYS 15 HZ1 LYS 15 1.976 -1.031 -10.810
109 2HZ LYS 15 HZ2 LYS 15 1.516 -1.358 -9.209
110 3HZ LYS 15 HZ3 LYS 15 0.744 -2.156 -10.494
111 H GLU 16 HN GLU 16 -4.053 -4.232 -7.008
112 HA GLU 16 HA GLU 16 -2.107 -6.269 -7.694
113 1HB GLU 16 HB2 GLU 16 -2.140 -7.097 -5.337
114 2HB GLU 16 HB3 GLU 16 -1.871 -5.349 -5.391
115 1HG GLU 16 HG3 GLU 16 -4.410 -5.126 -5.052
116 2HG GLU 16 HG2 GLU 16 -4.519 -6.857 -4.597
117 H THR 17 HN THR 17 -5.577 -6.444 -6.968
118 HA THR 17 HA THR 17 -5.549 -9.259 -7.958
119 HB THR 17 HB THR 17 -6.230 -9.464 -5.770
120 HG1 THR 17 HG1 THR 17 -8.331 -10.260 -6.010
121 1HG2 THR 17 HG2 THR 17 -6.970 -7.350 -4.999
122 2HG2 THR 17 HG2 THR 17 -8.312 -7.225 -6.224
123 3HG2 THR 17 HG2 THR 17 -8.377 -8.409 -4.882
124 H GLY 18 HN GLY 18 -7.282 -6.112 -8.078
125 1HA GLY 18 HA1 GLY 18 -7.607 -5.193 -10.226
126 2HA GLY 18 HA2 GLY 18 -8.039 -6.755 -10.900
127 H CYS 19 HN CYS 19 -9.481 -6.873 -8.007
128 HA CYS 19 HA CYS 19 -11.947 -5.520 -9.035
129 1HB CYS 19 HB2 CYS 19 -11.670 -8.162 -7.597
130 2HB CYS 19 HB3 CYS 19 -13.206 -7.213 -7.585
131 HA PRO 20 HA PRO 20 -10.970 -3.037 -5.340
132 1HB PRO 20 HB3 PRO 20 -12.834 -1.021 -5.668
133 2HB PRO 20 HB2 PRO 20 -11.569 -1.293 -6.918
134 1HG PRO 20 HG3 PRO 20 -14.292 -2.357 -6.977
135 2HG PRO 20 HG2 PRO 20 -13.558 -1.366 -8.278
136 1HD PRO 20 HD3 PRO 20 -13.501 -4.105 -8.454
137 2HD PRO 20 HD2 PRO 20 -11.980 -3.153 -8.831
138 H TYR 21 HN TYR 21 -11.671 -5.047 -4.091
139 HA TYR 21 HA TYR 21 -14.301 -4.714 -2.709
140 1HB TYR 21 HB3 TYR 21 -12.910 -7.191 -4.012
141 2HB TYR 21 HB2 TYR 21 -13.774 -7.485 -2.523
142 HD1 TYR 21 HD1 TYR 21 -14.281 -6.044 -5.926
143 HD2 TYR 21 HD2 TYR 21 -16.100 -7.481 -2.306
144 HE1 TYR 21 HE1 TYR 21 -16.499 -5.999 -7.025
145 HE2 TYR 21 HE2 TYR 21 -18.287 -7.497 -3.394
146 HH TYR 21 HH TYR 21 -18.742 -6.226 -6.708
147 H GLY 22 HN GLY 22 -12.633 -3.266 -1.319
148 1HA GLY 22 HA1 GLY 22 -11.393 -5.186 0.653
149 2HA GLY 22 HA2 GLY 22 -10.588 -3.665 0.158
150 H LYS 23 HN LYS 23 -10.662 -4.516 2.718
151 HA LYS 23 HA LYS 23 -12.461 -2.682 4.099
152 1HB LYS 23 HB3 LYS 23 -11.489 -5.518 4.878
153 2HB LYS 23 HB2 LYS 23 -12.176 -4.376 6.055
154 1HG LYS 23 HG3 LYS 23 -13.707 -5.447 3.664
155 2HG LYS 23 HG2 LYS 23 -13.871 -5.955 5.375
156 1HD LYS 23 HD3 LYS 23 -14.619 -3.186 4.168
157 2HD LYS 23 HD2 LYS 23 -15.695 -4.480 4.765
158 1HE LYS 23 HE3 LYS 23 -15.768 -2.851 6.471
159 2HE LYS 23 HE2 LYS 23 -14.657 -4.114 7.135
160 1HZ LYS 23 HZ1 LYS 23 -12.806 -2.707 6.439
161 2HZ LYS 23 HZ2 LYS 23 -13.883 -1.540 5.835
162 3HZ LYS 23 HZ3 LYS 23 -13.852 -1.889 7.497
163 H CYS 24 HN CYS 24 -11.489 -1.516 5.691
164 HA CYS 24 HA CYS 24 -8.515 -1.653 5.903
165 1HB CYS 24 HB3 CYS 24 -9.816 0.512 5.079
166 2HB CYS 24 HB2 CYS 24 -10.143 0.814 6.768
167 H MET 25 HN MET 25 -7.517 -1.836 7.854
168 HA MET 25 HA MET 25 -9.167 -1.794 10.312
169 1HB MET 25 HB2 MET 25 -7.216 -4.056 9.456
170 2HB MET 25 HB3 MET 25 -7.949 -3.941 11.092
171 1HG MET 25 HG2 MET 25 -9.509 -4.431 8.480
172 2HG MET 25 HG3 MET 25 -9.038 -5.636 9.695
173 1HE MET 25 HE1 MET 25 -13.023 -4.880 9.584
174 2HE MET 25 HE2 MET 25 -11.904 -4.264 8.317
175 3HE MET 25 HE3 MET 25 -11.701 -5.933 8.953
176 H ASN 26 HN ASN 26 -7.700 0.139 9.342
177 HA ASN 26 HA ASN 26 -6.474 1.860 10.047
178 1HB ASN 26 HB3 ASN 26 -7.218 1.329 12.349
179 2HB ASN 26 HB2 ASN 26 -5.749 0.330 12.581
180 1HD2 ASN 26 HD2 ASN 26 -4.551 1.581 14.071
181 2HD2 ASN 26 HD2 ASN 26 -4.210 3.275 13.837
182 H ARG 27 HN ARG 27 -4.982 1.632 8.171
183 HA ARG 27 HA ARG 27 -3.090 1.738 7.249
184 1HB ARG 27 HB3 ARG 27 -1.641 1.464 9.894
185 2HB ARG 27 HB2 ARG 27 -0.981 2.078 8.334
186 1HG ARG 27 HG2 ARG 27 -2.804 3.866 8.315
187 2HG ARG 27 HG3 ARG 27 -3.275 3.385 9.974
188 1HD ARG 27 HD3 ARG 27 -1.067 4.013 10.851
189 2HD ARG 27 HD2 ARG 27 -0.510 4.563 9.223
190 HE ARG 27 HE ARG 27 -2.222 6.061 11.073
191 1HH1 ARG 27 HH2 ARG 27 -1.734 5.667 7.543
192 2HH1 ARG 27 HH2 ARG 27 -2.574 7.188 7.256
193 1HH2 ARG 27 HH1 ARG 27 -3.125 8.002 10.449
194 2HH2 ARG 27 HH1 ARG 27 -3.108 8.485 8.776
195 H LYS 28 HN LYS 28 -4.396 -0.901 7.562
196 HA LYS 28 HA LYS 28 -2.444 -2.434 6.070
197 1HB LYS 28 HB3 LYS 28 -2.169 -3.191 8.483
198 2HB LYS 28 HB2 LYS 28 -3.928 -3.457 8.589
199 1HG LYS 28 HG3 LYS 28 -2.889 -5.528 8.432
200 2HG LYS 28 HG2 LYS 28 -3.709 -5.368 6.860
201 1HD LYS 28 HD3 LYS 28 -0.760 -4.518 7.030
202 2HD LYS 28 HD2 LYS 28 -1.147 -6.241 7.326
203 1HE LYS 28 HE2 LYS 28 -0.576 -6.163 5.036
204 2HE LYS 28 HE3 LYS 28 -2.377 -6.343 5.079
205 1HZ LYS 28 HZ1 LYS 28 -2.532 -3.962 4.709
206 2HZ LYS 28 HZ2 LYS 28 -0.840 -3.824 4.669
207 3HZ LYS 28 HZ3 LYS 28 -1.647 -4.727 3.478
208 H CYS 29 HN CYS 29 -3.534 -3.292 4.304
209 HA CYS 29 HA CYS 29 -6.500 -3.255 4.286
210 1HB CYS 29 HB2 CYS 29 -4.615 -3.735 1.882
211 2HB CYS 29 HB3 CYS 29 -6.406 -3.617 1.843
212 H LYS 30 HN LYS 30 -7.716 -5.062 3.992
213 HA LYS 30 HA LYS 30 -6.426 -7.616 3.231
214 1HB LYS 30 HB3 LYS 30 -7.298 -7.656 5.650
215 2HB LYS 30 HB2 LYS 30 -8.939 -7.318 5.028
216 1HG LYS 30 HG3 LYS 30 -8.700 -9.541 3.627
217 2HG LYS 30 HG2 LYS 30 -7.075 -9.699 4.366
218 1HD LYS 30 HD2 LYS 30 -8.434 -11.139 5.650
219 2HD LYS 30 HD3 LYS 30 -8.214 -9.681 6.670
220 1HE LYS 30 HE2 LYS 30 -10.552 -10.404 6.832
221 2HE LYS 30 HE3 LYS 30 -10.551 -8.887 5.845
222 1HZ LYS 30 HZ1 LYS 30 -10.626 -11.683 4.817
223 2HZ LYS 30 HZ2 LYS 30 -11.931 -10.599 4.905
224 3HZ LYS 30 HZ3 LYS 30 -10.624 -10.273 3.870
225 H CYS 31 HN CYS 31 -7.156 -7.986 1.061
226 HA CYS 31 HA CYS 31 -9.637 -6.592 0.323
227 1HB CYS 31 HB2 CYS 31 -7.356 -6.022 -0.934
228 2HB CYS 31 HB3 CYS 31 -7.678 -7.478 -1.863
229 H ASN 32 HN ASN 32 -11.047 -7.594 -1.193
230 HA ASN 32 HA ASN 32 -11.174 -10.553 -0.965
231 1HB ASN 32 HB2 ASN 32 -12.739 -9.339 0.627
232 2HB ASN 32 HB3 ASN 32 -13.570 -8.534 -0.726
233 1HD2 ASN 32 HD2 ASN 32 -14.130 -10.747 1.540
234 2HD2 ASN 32 HD2 ASN 32 -15.053 -11.900 0.606
235 H ARG 33 HN ARG 33 -13.429 -10.649 -2.975
236 HA ARG 33 HA ARG 33 -12.129 -9.513 -5.379
237 1HB ARG 33 HB3 ARG 33 -11.940 -12.272 -4.479
238 2HB ARG 33 HB2 ARG 33 -13.016 -12.336 -5.874
239 1HG ARG 33 HG3 ARG 33 -11.218 -12.381 -7.169
240 2HG ARG 33 HG2 ARG 33 -10.874 -10.664 -6.795
241 1HD ARG 33 HD3 ARG 33 -9.825 -13.137 -5.200
242 2HD ARG 33 HD2 ARG 33 -8.916 -12.243 -6.479
243 HE ARG 33 HE ARG 33 -9.966 -10.383 -4.395
244 1HH1 ARG 33 HH1 ARG 33 -7.402 -12.899 -4.739
245 2HH1 ARG 33 HH1 ARG 33 -6.640 -12.337 -3.290
246 1HH2 ARG 33 HH2 ARG 33 -8.935 -9.809 -2.768
247 2HH2 ARG 33 HH2 ARG 33 -7.650 -10.709 -2.038
248 H CYS 34 HN CYS 34 -13.521 -9.948 -7.340
249 HA CYS 34 HA CYS 34 -16.253 -9.142 -6.851
250 1HB CYS 34 HB3 CYS 34 -16.194 -9.243 -9.492
251 2HB CYS 34 HB2 CYS 34 -15.262 -8.011 -8.612
252 1HN NH2 35 HT1 CYS 34 -16.060 -11.723 -5.698
253 2HN NH2 35 HT2 CYS 34 -16.947 -12.853 -6.727
Start of MODEL 7
1 2H ALA 1 HN2 ALA 1 -1.475 -4.477 0.787
2 H ALA 1 HN ALA 1 -1.458 -4.142 2.458
3 3H ALA 1 HN3 ALA 1 -2.909 -4.047 1.629
4 HA ALA 1 HA ALA 1 -0.509 -2.314 1.204
5 1HB ALA 1 HB1 ALA 1 -1.958 -1.012 -0.439
6 2HB ALA 1 HB2 ALA 1 -1.931 -2.727 -0.885
7 3HB ALA 1 HB3 ALA 1 -3.361 -2.055 -0.038
8 H SER 2 HN SER 2 -1.395 0.237 1.694
9 HA SER 2 HA SER 2 -2.571 0.124 4.385
10 1HB SER 2 HB3 SER 2 -0.637 2.212 3.210
11 2HB SER 2 HB2 SER 2 -1.323 2.193 4.887
12 HG SER 2 HG SER 2 0.791 1.252 4.731
13 H CYS 3 HN CYS 3 -4.195 1.611 4.942
14 HA CYS 3 HA CYS 3 -5.253 3.448 2.878
15 1HB CYS 3 HB2 CYS 3 -7.658 2.446 3.265
16 2HB CYS 3 HB3 CYS 3 -6.482 1.472 2.382
17 H ARG 4 HN ARG 4 -7.411 4.466 4.074
18 HA ARG 4 HA ARG 4 -6.703 5.128 6.880
19 1HB ARG 4 HB2 ARG 4 -8.145 7.194 5.061
20 2HB ARG 4 HB3 ARG 4 -7.567 7.311 6.707
21 1HG ARG 4 HG3 ARG 4 -5.901 8.507 5.643
22 2HG ARG 4 HG2 ARG 4 -5.204 6.871 5.953
23 1HD ARG 4 HD2 ARG 4 -5.485 6.336 3.468
24 2HD ARG 4 HD3 ARG 4 -5.979 8.064 3.167
25 HE ARG 4 HE ARG 4 -3.669 8.242 4.714
26 1HH1 ARG 4 HH1 ARG 4 -4.372 6.733 1.604
27 2HH1 ARG 4 HH1 ARG 4 -2.690 6.456 1.278
28 1HH2 ARG 4 HH2 ARG 4 -1.567 8.267 3.946
29 2HH2 ARG 4 HH2 ARG 4 -1.175 7.533 2.421
30 H THR 5 HN THR 5 -9.279 5.271 4.373
31 HA THR 5 HA THR 5 -11.138 3.779 6.058
32 HB THR 5 HB THR 5 -12.970 4.984 4.835
33 HG1 THR 5 HG1 THR 5 -12.300 6.976 3.843
34 1HG2 THR 5 HG2 THR 5 -12.721 7.156 6.062
35 2HG2 THR 5 HG2 THR 5 -12.151 5.802 7.098
36 3HG2 THR 5 HG2 THR 5 -10.956 6.871 6.280
37 HA PRO 6 HA PRO 6 -10.839 0.830 2.729
38 1HB PRO 6 HB3 PRO 6 -13.929 0.842 2.554
39 2HB PRO 6 HB2 PRO 6 -12.816 -0.572 2.626
40 1HG PRO 6 HG3 PRO 6 -14.094 0.254 4.897
41 2HG PRO 6 HG2 PRO 6 -12.289 0.029 4.993
42 1HD PRO 6 HD2 PRO 6 -13.768 2.670 4.496
43 2HD PRO 6 HD3 PRO 6 -12.545 2.219 5.786
44 H LYS 7 HN LYS 7 -12.565 3.673 1.854
45 HA LYS 7 HA LYS 7 -12.917 3.226 -0.953
46 1HB LYS 7 HB3 LYS 7 -14.289 4.734 0.553
47 2HB LYS 7 HB2 LYS 7 -12.986 5.964 0.473
48 1HG LYS 7 HG3 LYS 7 -14.324 4.757 -2.035
49 2HG LYS 7 HG2 LYS 7 -15.188 5.957 -1.027
50 1HD LYS 7 HD3 LYS 7 -13.426 7.644 -1.343
51 2HD LYS 7 HD2 LYS 7 -12.491 6.519 -2.383
52 1HE LYS 7 HE3 LYS 7 -15.320 7.602 -3.003
53 2HE LYS 7 HE2 LYS 7 -13.766 8.147 -3.763
54 1HZ LYS 7 HZ1 LYS 7 -13.455 5.918 -4.596
55 2HZ LYS 7 HZ2 LYS 7 -14.906 5.403 -3.880
56 3HZ LYS 7 HZ3 LYS 7 -14.936 6.564 -5.120
57 H ASP 8 HN ASP 8 -10.055 4.040 0.947
58 HA ASP 8 HA ASP 8 -8.658 5.325 -1.256
59 1HB ASP 8 HB3 ASP 8 -7.600 4.401 1.503
60 2HB ASP 8 HB2 ASP 8 -6.768 5.493 0.329
61 H CYS 9 HN CYS 9 -9.381 2.018 -0.601
62 HA CYS 9 HA CYS 9 -6.729 1.142 -1.555
63 1HB CYS 9 HB3 CYS 9 -7.780 0.500 0.740
64 2HB CYS 9 HB2 CYS 9 -8.716 -0.708 -0.164
65 H ALA 10 HN ALA 10 -9.640 1.864 -2.883
66 HA ALA 10 HA ALA 10 -10.328 -0.259 -4.455
67 1HB ALA 10 HB1 ALA 10 -11.739 1.725 -3.973
68 2HB ALA 10 HB2 ALA 10 -10.692 2.753 -5.009
69 3HB ALA 10 HB3 ALA 10 -11.683 1.423 -5.732
70 H ASP 11 HN ASP 11 -7.850 2.117 -5.131
71 HA ASP 11 HA ASP 11 -7.252 1.094 -7.788
72 1HB ASP 11 HB2 ASP 11 -5.832 3.300 -6.188
73 2HB ASP 11 HB3 ASP 11 -5.509 2.871 -7.911
74 HA PRO 12 HA PRO 12 -3.319 -0.746 -5.692
75 1HB PRO 12 HB3 PRO 12 -3.266 -1.069 -2.868
76 2HB PRO 12 HB2 PRO 12 -2.537 0.306 -3.767
77 1HG PRO 12 HG3 PRO 12 -5.301 0.062 -2.577
78 2HG PRO 12 HG2 PRO 12 -4.151 1.405 -2.242
79 1HD PRO 12 HD2 PRO 12 -6.101 1.791 -4.039
80 2HD PRO 12 HD3 PRO 12 -4.411 2.242 -4.544
81 H CYS 13 HN CYS 13 -6.595 -1.441 -4.282
82 HA CYS 13 HA CYS 13 -6.093 -4.322 -4.294
83 1HB CYS 13 HB2 CYS 13 -7.479 -3.326 -2.559
84 2HB CYS 13 HB3 CYS 13 -8.685 -2.825 -3.768
85 H ARG 14 HN ARG 14 -7.628 -2.015 -6.629
86 HA ARG 14 HA ARG 14 -8.395 -4.055 -8.558
87 1HB ARG 14 HB3 ARG 14 -9.605 -2.056 -8.456
88 2HB ARG 14 HB2 ARG 14 -8.151 -1.033 -8.753
89 1HG ARG 14 HG3 ARG 14 -7.988 -1.788 -11.055
90 2HG ARG 14 HG2 ARG 14 -9.176 -3.092 -10.754
91 1HD ARG 14 HD3 ARG 14 -9.907 -0.861 -12.140
92 2HD ARG 14 HD2 ARG 14 -11.074 -1.796 -11.147
93 HE ARG 14 HE ARG 14 -9.534 0.157 -9.603
94 1HH1 ARG 14 HH1 ARG 14 -12.456 0.326 -11.455
95 2HH1 ARG 14 HH1 ARG 14 -13.382 0.854 -10.105
96 1HH2 ARG 14 HH2 ARG 14 -10.726 0.531 -7.884
97 2HH2 ARG 14 HH2 ARG 14 -12.377 1.031 -8.071
98 H LYS 15 HN LYS 15 -5.504 -1.949 -8.081
99 HA LYS 15 HA LYS 15 -4.235 -2.656 -10.496
100 1HB LYS 15 HB3 LYS 15 -3.905 -0.566 -9.112
101 2HB LYS 15 HB2 LYS 15 -2.971 -1.508 -7.916
102 1HG LYS 15 HG2 LYS 15 -1.266 -1.995 -9.738
103 2HG LYS 15 HG3 LYS 15 -2.278 -1.041 -10.891
104 1HD LYS 15 HD3 LYS 15 -2.074 0.962 -9.545
105 2HD LYS 15 HD2 LYS 15 -1.089 0.090 -8.308
106 1HE LYS 15 HE3 LYS 15 0.718 -0.303 -10.019
107 2HE LYS 15 HE2 LYS 15 -0.260 0.594 -11.252
108 1HZ LYS 15 HZ1 LYS 15 -0.169 2.530 -9.829
109 2HZ LYS 15 HZ2 LYS 15 0.748 1.687 -8.675
110 3HZ LYS 15 HZ3 LYS 15 1.390 1.981 -10.218
111 H GLU 16 HN GLU 16 -4.172 -4.075 -7.254
112 HA GLU 16 HA GLU 16 -2.101 -6.036 -8.026
113 1HB GLU 16 HB3 GLU 16 -1.742 -6.759 -5.783
114 2HB GLU 16 HB2 GLU 16 -1.783 -4.989 -5.718
115 1HG GLU 16 HG3 GLU 16 -4.387 -5.473 -5.119
116 2HG GLU 16 HG2 GLU 16 -3.750 -7.109 -4.714
117 H THR 17 HN THR 17 -5.665 -6.164 -7.108
118 HA THR 17 HA THR 17 -5.631 -8.926 -8.147
119 HB THR 17 HB THR 17 -7.707 -9.376 -7.120
120 HG1 THR 17 HG1 THR 17 -7.655 -6.670 -6.127
121 1HG2 THR 17 HG2 THR 17 -5.869 -7.963 -5.072
122 2HG2 THR 17 HG2 THR 17 -7.018 -9.281 -4.771
123 3HG2 THR 17 HG2 THR 17 -5.562 -9.592 -5.785
124 H GLY 18 HN GLY 18 -8.327 -6.814 -8.104
125 1HA GLY 18 HA1 GLY 18 -8.318 -5.587 -10.576
126 2HA GLY 18 HA2 GLY 18 -9.094 -7.178 -10.832
127 H CYS 19 HN CYS 19 -10.047 -6.989 -7.852
128 HA CYS 19 HA CYS 19 -12.347 -5.216 -8.520
129 1HB CYS 19 HB2 CYS 19 -12.216 -7.901 -7.181
130 2HB CYS 19 HB3 CYS 19 -13.587 -6.785 -6.844
131 HA PRO 20 HA PRO 20 -10.909 -2.795 -4.991
132 1HB PRO 20 HB3 PRO 20 -13.054 -0.939 -4.859
133 2HB PRO 20 HB2 PRO 20 -11.908 -0.998 -6.244
134 1HG PRO 20 HG3 PRO 20 -14.546 -2.207 -6.054
135 2HG PRO 20 HG2 PRO 20 -13.914 -1.167 -7.393
136 1HD PRO 20 HD3 PRO 20 -13.893 -3.917 -7.626
137 2HD PRO 20 HD2 PRO 20 -12.478 -2.898 -8.200
138 H TYR 21 HN TYR 21 -11.445 -5.047 -3.917
139 HA TYR 21 HA TYR 21 -13.481 -4.769 -1.759
140 1HB TYR 21 HB3 TYR 21 -12.503 -7.218 -3.437
141 2HB TYR 21 HB2 TYR 21 -12.928 -7.511 -1.763
142 HD1 TYR 21 HD1 TYR 21 -14.289 -6.085 -4.904
143 HD2 TYR 21 HD2 TYR 21 -15.095 -7.264 -0.855
144 HE1 TYR 21 HE1 TYR 21 -16.717 -5.832 -5.324
145 HE2 TYR 21 HE2 TYR 21 -17.522 -7.009 -1.253
146 HH TYR 21 HH TYR 21 -18.744 -5.815 -4.400
147 H GLY 22 HN GLY 22 -11.517 -3.255 -1.107
148 1HA GLY 22 HA1 GLY 22 -9.693 -4.907 0.657
149 2HA GLY 22 HA2 GLY 22 -9.236 -3.378 -0.053
150 H LYS 23 HN LYS 23 -10.660 -4.953 2.696
151 HA LYS 23 HA LYS 23 -12.000 -2.622 3.733
152 1HB LYS 23 HB2 LYS 23 -13.076 -4.871 4.012
153 2HB LYS 23 HB3 LYS 23 -11.671 -5.413 4.994
154 1HG LYS 23 HG2 LYS 23 -13.591 -4.868 6.392
155 2HG LYS 23 HG3 LYS 23 -12.320 -3.660 6.743
156 1HD LYS 23 HD2 LYS 23 -13.513 -2.036 5.185
157 2HD LYS 23 HD3 LYS 23 -14.808 -3.253 4.957
158 1HE LYS 23 HE2 LYS 23 -15.398 -3.096 7.387
159 2HE LYS 23 HE3 LYS 23 -14.036 -1.934 7.653
160 1HZ LYS 23 HZ1 LYS 23 -16.361 -1.511 5.843
161 2HZ LYS 23 HZ2 LYS 23 -16.123 -0.808 7.371
162 3HZ LYS 23 HZ3 LYS 23 -15.074 -0.430 6.090
163 H CYS 24 HN CYS 24 -11.357 -1.520 5.497
164 HA CYS 24 HA CYS 24 -8.479 -1.543 6.073
165 1HB CYS 24 HB3 CYS 24 -9.955 0.412 4.947
166 2HB CYS 24 HB2 CYS 24 -10.327 0.866 6.603
167 H MET 25 HN MET 25 -7.906 -2.401 7.969
168 HA MET 25 HA MET 25 -9.396 -1.621 10.416
169 1HB MET 25 HB3 MET 25 -8.384 -4.472 9.769
170 2HB MET 25 HB2 MET 25 -8.943 -3.943 11.383
171 1HG MET 25 HG2 MET 25 -10.683 -4.098 8.860
172 2HG MET 25 HG3 MET 25 -10.610 -5.286 10.194
173 1HE MET 25 HE1 MET 25 -13.112 -5.337 10.504
174 2HE MET 25 HE2 MET 25 -14.182 -3.909 10.696
175 3HE MET 25 HE3 MET 25 -13.312 -4.178 9.145
176 H ASN 26 HN ASN 26 -7.956 -0.534 11.678
177 HA ASN 26 HA ASN 26 -6.139 0.421 12.370
178 1HB ASN 26 HB2 ASN 26 -5.843 -2.186 12.973
179 2HB ASN 26 HB3 ASN 26 -4.341 -2.054 12.019
180 1HD2 ASN 26 HD2 ASN 26 -3.546 0.664 12.933
181 2HD2 ASN 26 HD2 ASN 26 -3.334 0.524 14.681
182 H ARG 27 HN ARG 27 -6.574 0.717 9.529
183 HA ARG 27 HA ARG 27 -5.839 1.836 7.847
184 1HB ARG 27 HB2 ARG 27 -3.359 2.314 9.374
185 2HB ARG 27 HB3 ARG 27 -3.716 3.112 7.820
186 1HG ARG 27 HG3 ARG 27 -5.823 4.069 8.686
187 2HG ARG 27 HG2 ARG 27 -5.573 3.294 10.278
188 1HD ARG 27 HD2 ARG 27 -4.308 5.005 11.057
189 2HD ARG 27 HD3 ARG 27 -3.176 4.829 9.674
190 HE ARG 27 HE ARG 27 -4.194 6.625 8.608
191 1HH1 ARG 27 HH1 ARG 27 -6.483 5.538 10.976
192 2HH1 ARG 27 HH1 ARG 27 -7.371 7.035 10.980
193 1HH2 ARG 27 HH2 ARG 27 -5.315 8.501 8.590
194 2HH2 ARG 27 HH2 ARG 27 -6.642 8.740 9.684
195 H LYS 28 HN LYS 28 -5.321 -1.189 8.073
196 HA LYS 28 HA LYS 28 -3.475 -1.436 5.763
197 1HB LYS 28 HB2 LYS 28 -4.014 -3.447 8.053
198 2HB LYS 28 HB3 LYS 28 -3.012 -3.776 6.598
199 1HG LYS 28 HG2 LYS 28 -1.496 -1.878 7.223
200 2HG LYS 28 HG3 LYS 28 -2.402 -1.682 8.759
201 1HD LYS 28 HD2 LYS 28 -1.930 -4.046 9.379
202 2HD LYS 28 HD3 LYS 28 -0.946 -4.255 7.888
203 1HE LYS 28 HE2 LYS 28 -0.350 -2.235 10.160
204 2HE LYS 28 HE3 LYS 28 0.504 -3.808 9.876
205 1HZ LYS 28 HZ1 LYS 28 0.384 -1.519 7.985
206 2HZ LYS 28 HZ2 LYS 28 1.700 -1.954 8.968
207 3HZ LYS 28 HZ3 LYS 28 1.186 -2.994 7.727
208 H CYS 29 HN CYS 29 -4.155 -2.553 3.971
209 HA CYS 29 HA CYS 29 -7.020 -3.157 3.803
210 1HB CYS 29 HB2 CYS 29 -4.970 -3.370 1.499
211 2HB CYS 29 HB3 CYS 29 -6.758 -3.340 1.398
212 H LYS 30 HN LYS 30 -7.867 -5.130 3.852
213 HA LYS 30 HA LYS 30 -6.229 -7.507 3.160
214 1HB LYS 30 HB2 LYS 30 -8.921 -7.422 4.673
215 2HB LYS 30 HB3 LYS 30 -7.889 -8.849 4.312
216 1HG LYS 30 HG2 LYS 30 -7.153 -8.504 6.453
217 2HG LYS 30 HG3 LYS 30 -6.025 -7.399 5.611
218 1HD LYS 30 HD2 LYS 30 -6.784 -6.163 7.470
219 2HD LYS 30 HD3 LYS 30 -7.783 -5.513 6.136
220 1HE LYS 30 HE3 LYS 30 -9.209 -5.826 8.073
221 2HE LYS 30 HE2 LYS 30 -9.664 -7.134 6.913
222 1HZ LYS 30 HZ1 LYS 30 -9.440 -7.941 9.151
223 2HZ LYS 30 HZ2 LYS 30 -8.244 -8.632 8.162
224 3HZ LYS 30 HZ3 LYS 30 -7.835 -7.394 9.249
225 H CYS 31 HN CYS 31 -6.315 -7.551 0.953
226 HA CYS 31 HA CYS 31 -8.619 -6.651 -0.527
227 1HB CYS 31 HB2 CYS 31 -6.386 -6.096 -1.210
228 2HB CYS 31 HB3 CYS 31 -6.005 -7.796 -1.593
229 H ASN 32 HN ASN 32 -10.258 -7.753 -0.916
230 HA ASN 32 HA ASN 32 -10.314 -10.722 -1.120
231 1HB ASN 32 HB3 ASN 32 -12.394 -8.622 -0.147
232 2HB ASN 32 HB2 ASN 32 -12.816 -10.363 -0.367
233 1HD2 ASN 32 HD2 ASN 32 -10.519 -8.382 1.701
234 2HD2 ASN 32 HD2 ASN 32 -10.677 -9.647 2.902
235 H ARG 33 HN ARG 33 -13.083 -10.517 -2.616
236 HA ARG 33 HA ARG 33 -12.238 -9.361 -5.125
237 1HB ARG 33 HB3 ARG 33 -11.731 -12.060 -4.548
238 2HB ARG 33 HB2 ARG 33 -13.325 -12.245 -5.264
239 1HG ARG 33 HG2 ARG 33 -11.543 -12.604 -6.852
240 2HG ARG 33 HG3 ARG 33 -12.460 -11.167 -7.402
241 1HD ARG 33 HD2 ARG 33 -9.834 -11.042 -7.618
242 2HD ARG 33 HD3 ARG 33 -10.627 -9.680 -6.755
243 HE ARG 33 HE ARG 33 -9.795 -10.365 -4.689
244 1HH1 ARG 33 HH1 ARG 33 -9.248 -13.044 -6.908
245 2HH1 ARG 33 HH1 ARG 33 -8.147 -13.905 -5.846
246 1HH2 ARG 33 HH2 ARG 33 -8.169 -11.275 -3.576
247 2HH2 ARG 33 HH2 ARG 33 -7.476 -12.834 -3.966
248 H CYS 34 HN CYS 34 -14.022 -9.625 -6.749
249 HA CYS 34 HA CYS 34 -16.598 -8.873 -5.681
250 1HB CYS 34 HB2 CYS 34 -17.013 -8.723 -8.283
251 2HB CYS 34 HB3 CYS 34 -15.910 -7.553 -7.507
252 1HN NH2 35 HT1 CYS 34 -16.605 -11.246 -4.663
253 2HN NH2 35 HT2 CYS 34 -17.460 -12.418 -5.659
Start of MODEL 8
1 2H ALA 1 HN2 ALA 1 -0.325 -2.250 2.886
2 H ALA 1 HN ALA 1 0.476 -0.881 3.483
3 3H ALA 1 HN3 ALA 1 -1.189 -1.026 3.717
4 HA ALA 1 HA ALA 1 0.233 -0.400 1.199
5 1HB ALA 1 HB1 ALA 1 -1.570 -2.196 0.836
6 2HB ALA 1 HB2 ALA 1 -2.801 -1.076 1.510
7 3HB ALA 1 HB3 ALA 1 -1.943 -0.729 -0.045
8 H SER 2 HN SER 2 -2.155 1.549 0.778
9 HA SER 2 HA SER 2 -1.958 3.227 3.165
10 1HB SER 2 HB3 SER 2 -1.327 4.164 0.310
11 2HB SER 2 HB2 SER 2 -1.727 5.278 1.681
12 HG SER 2 HG SER 2 0.534 4.858 1.356
13 H CYS 3 HN CYS 3 -4.067 3.211 3.814
14 HA CYS 3 HA CYS 3 -6.138 4.236 2.198
15 1HB CYS 3 HB2 CYS 3 -7.773 2.351 2.635
16 2HB CYS 3 HB3 CYS 3 -6.453 1.890 1.536
17 H ARG 4 HN ARG 4 -8.006 4.582 3.890
18 HA ARG 4 HA ARG 4 -6.916 4.847 6.654
19 1HB ARG 4 HB2 ARG 4 -8.410 6.948 4.984
20 2HB ARG 4 HB3 ARG 4 -8.354 7.002 6.778
21 1HG ARG 4 HG3 ARG 4 -5.982 7.106 6.894
22 2HG ARG 4 HG2 ARG 4 -5.782 7.012 5.115
23 1HD ARG 4 HD3 ARG 4 -5.439 9.309 6.149
24 2HD ARG 4 HD2 ARG 4 -6.695 9.348 4.854
25 HE ARG 4 HE ARG 4 -7.766 8.801 7.574
26 1HH1 ARG 4 HH2 ARG 4 -6.579 11.465 5.650
27 2HH1 ARG 4 HH2 ARG 4 -7.596 12.615 6.465
28 1HH2 ARG 4 HH1 ARG 4 -9.246 10.198 8.298
29 2HH2 ARG 4 HH1 ARG 4 -9.057 11.901 8.017
30 H THR 5 HN THR 5 -9.935 5.200 4.678
31 HA THR 5 HA THR 5 -11.344 3.424 6.531
32 HB THR 5 HB THR 5 -13.430 4.379 5.566
33 HG1 THR 5 HG1 THR 5 -12.850 6.581 4.621
34 1HG2 THR 5 HG2 THR 5 -12.415 5.302 7.711
35 2HG2 THR 5 HG2 THR 5 -11.515 6.533 6.764
36 3HG2 THR 5 HG2 THR 5 -13.307 6.546 6.777
37 HA PRO 6 HA PRO 6 -11.264 0.304 3.387
38 1HB PRO 6 HB3 PRO 6 -14.334 0.196 3.716
39 2HB PRO 6 HB2 PRO 6 -13.180 -1.175 3.557
40 1HG PRO 6 HG2 PRO 6 -13.930 -0.460 6.073
41 2HG PRO 6 HG3 PRO 6 -12.128 -0.455 5.754
42 1HD PRO 6 HD3 PRO 6 -13.975 1.985 5.551
43 2HD PRO 6 HD2 PRO 6 -12.485 1.713 6.583
44 H LYS 7 HN LYS 7 -13.466 2.927 2.545
45 HA LYS 7 HA LYS 7 -13.898 2.121 -0.195
46 1HB LYS 7 HB3 LYS 7 -14.477 4.788 1.193
47 2HB LYS 7 HB2 LYS 7 -15.085 4.244 -0.415
48 1HG LYS 7 HG3 LYS 7 -16.263 2.330 0.670
49 2HG LYS 7 HG2 LYS 7 -15.662 2.862 2.274
50 1HD LYS 7 HD3 LYS 7 -16.833 5.084 1.943
51 2HD LYS 7 HD2 LYS 7 -17.531 4.432 0.419
52 1HE LYS 7 HE3 LYS 7 -19.188 4.208 2.255
53 2HE LYS 7 HE2 LYS 7 -18.608 2.556 1.785
54 1HZ LYS 7 HZ1 LYS 7 -18.686 2.854 4.156
55 2HZ LYS 7 HZ2 LYS 7 -17.081 2.635 3.645
56 3HZ LYS 7 HZ3 LYS 7 -17.631 4.181 4.079
57 H ASP 8 HN ASP 8 -10.968 3.221 1.215
58 HA ASP 8 HA ASP 8 -10.190 4.834 -1.107
59 1HB ASP 8 HB3 ASP 8 -8.780 4.377 1.597
60 2HB ASP 8 HB2 ASP 8 -8.215 5.461 0.260
61 H CYS 9 HN CYS 9 -10.100 1.431 -0.169
62 HA CYS 9 HA CYS 9 -7.459 1.082 -1.329
63 1HB CYS 9 HB3 CYS 9 -8.248 -0.189 0.823
64 2HB CYS 9 HB2 CYS 9 -9.054 -1.290 -0.287
65 H ALA 10 HN ALA 10 -9.111 2.115 -3.092
66 HA ALA 10 HA ALA 10 -10.038 0.113 -5.011
67 1HB ALA 10 HB1 ALA 10 -10.744 2.032 -6.418
68 2HB ALA 10 HB2 ALA 10 -11.331 2.185 -4.735
69 3HB ALA 10 HB3 ALA 10 -9.936 3.182 -5.279
70 H ASP 11 HN ASP 11 -7.484 2.766 -5.156
71 HA ASP 11 HA ASP 11 -6.257 1.547 -7.402
72 1HB ASP 11 HB3 ASP 11 -6.488 4.045 -6.851
73 2HB ASP 11 HB2 ASP 11 -5.124 3.851 -5.698
74 HA PRO 12 HA PRO 12 -2.839 0.011 -4.426
75 1HB PRO 12 HB3 PRO 12 -4.033 -0.238 -1.649
76 2HB PRO 12 HB2 PRO 12 -2.471 0.489 -2.168
77 1HG PRO 12 HG2 PRO 12 -4.709 1.896 -1.287
78 2HG PRO 12 HG3 PRO 12 -3.478 2.600 -2.428
79 1HD PRO 12 HD3 PRO 12 -6.199 1.376 -3.065
80 2HD PRO 12 HD2 PRO 12 -5.420 2.868 -3.758
81 H CYS 13 HN CYS 13 -6.278 -1.040 -3.877
82 HA CYS 13 HA CYS 13 -5.418 -3.811 -3.642
83 1HB CYS 13 HB2 CYS 13 -7.418 -3.136 -2.343
84 2HB CYS 13 HB3 CYS 13 -8.271 -2.811 -3.881
85 H ARG 14 HN ARG 14 -6.362 -1.641 -6.325
86 HA ARG 14 HA ARG 14 -7.080 -3.480 -8.250
87 1HB ARG 14 HB3 ARG 14 -7.487 -1.184 -8.487
88 2HB ARG 14 HB2 ARG 14 -5.738 -0.750 -8.521
89 1HG ARG 14 HG3 ARG 14 -5.505 -1.907 -10.702
90 2HG ARG 14 HG2 ARG 14 -7.156 -2.596 -10.533
91 1HD ARG 14 HD2 ARG 14 -6.518 0.382 -11.199
92 2HD ARG 14 HD3 ARG 14 -7.248 -0.905 -12.247
93 HE ARG 14 HE ARG 14 -8.761 -0.495 -9.738
94 1HH1 ARG 14 HH1 ARG 14 -8.420 0.717 -13.022
95 2HH1 ARG 14 HH1 ARG 14 -9.881 1.625 -12.897
96 1HH2 ARG 14 HH2 ARG 14 -10.747 0.529 -9.788
97 2HH2 ARG 14 HH2 ARG 14 -11.120 1.584 -11.106
98 H LYS 15 HN LYS 15 -3.913 -2.991 -6.943
99 HA LYS 15 HA LYS 15 -2.528 -4.216 -9.172
100 1HB LYS 15 HB2 LYS 15 -1.511 -2.343 -7.961
101 2HB LYS 15 HB3 LYS 15 -1.575 -3.228 -6.407
102 1HG LYS 15 HG3 LYS 15 0.103 -4.830 -7.158
103 2HG LYS 15 HG2 LYS 15 0.045 -4.227 -8.846
104 1HD LYS 15 HD3 LYS 15 0.948 -2.510 -6.441
105 2HD LYS 15 HD2 LYS 15 2.054 -3.555 -7.398
106 1HE LYS 15 HE3 LYS 15 1.476 -2.281 -9.496
107 2HE LYS 15 HE2 LYS 15 0.474 -1.142 -8.507
108 1HZ LYS 15 HZ1 LYS 15 3.379 -1.693 -8.156
109 2HZ LYS 15 HZ2 LYS 15 2.689 -0.319 -8.877
110 3HZ LYS 15 HZ3 LYS 15 2.446 -0.623 -7.224
111 H GLU 16 HN GLU 16 -4.046 -5.282 -6.130
112 HA GLU 16 HA GLU 16 -2.808 -7.946 -6.376
113 1HB GLU 16 HB2 GLU 16 -3.192 -8.415 -3.989
114 2HB GLU 16 HB3 GLU 16 -2.174 -6.970 -4.261
115 1HG GLU 16 HG2 GLU 16 -4.365 -5.604 -3.990
116 2HG GLU 16 HG3 GLU 16 -5.113 -7.115 -3.367
117 H THR 17 HN THR 17 -6.231 -6.738 -5.543
118 HA THR 17 HA THR 17 -6.996 -9.416 -6.594
119 HB THR 17 HB THR 17 -9.098 -9.446 -5.695
120 HG1 THR 17 HG1 THR 17 -9.959 -7.894 -4.449
121 1HG2 THR 17 HG2 THR 17 -8.543 -9.565 -3.319
122 2HG2 THR 17 HG2 THR 17 -7.142 -10.150 -4.276
123 3HG2 THR 17 HG2 THR 17 -7.102 -8.503 -3.543
124 H GLY 18 HN GLY 18 -7.007 -6.102 -7.383
125 1HA GLY 18 HA1 GLY 18 -7.391 -5.195 -9.447
126 2HA GLY 18 HA2 GLY 18 -8.445 -6.553 -9.903
127 H CYS 19 HN CYS 19 -9.649 -6.048 -7.136
128 HA CYS 19 HA CYS 19 -11.817 -4.274 -8.109
129 1HB CYS 19 HB2 CYS 19 -11.683 -6.837 -6.419
130 2HB CYS 19 HB3 CYS 19 -13.171 -5.867 -6.413
131 HA PRO 20 HA PRO 20 -11.406 -2.077 -4.101
132 1HB PRO 20 HB3 PRO 20 -13.501 -0.310 -4.322
133 2HB PRO 20 HB2 PRO 20 -12.186 -0.276 -5.531
134 1HG PRO 20 HG3 PRO 20 -14.839 -1.383 -5.920
135 2HG PRO 20 HG2 PRO 20 -13.791 -0.484 -7.097
136 1HD PRO 20 HD2 PRO 20 -14.039 -3.384 -6.866
137 2HD PRO 20 HD3 PRO 20 -12.787 -2.439 -7.819
138 H TYR 21 HN TYR 21 -12.168 -4.645 -3.627
139 HA TYR 21 HA TYR 21 -14.672 -4.547 -1.989
140 1HB TYR 21 HB2 TYR 21 -13.910 -6.437 -4.251
141 2HB TYR 21 HB3 TYR 21 -14.390 -7.348 -2.826
142 HD1 TYR 21 HD1 TYR 21 -15.871 -4.048 -4.245
143 HD2 TYR 21 HD2 TYR 21 -16.386 -8.206 -3.237
144 HE1 TYR 21 HE1 TYR 21 -18.237 -3.908 -4.846
145 HE2 TYR 21 HE2 TYR 21 -18.734 -8.072 -3.869
146 HH TYR 21 HH TYR 21 -20.387 -6.761 -4.756
147 H GLY 22 HN GLY 22 -12.764 -3.655 -0.568
148 1HA GLY 22 HA1 GLY 22 -11.838 -5.992 1.017
149 2HA GLY 22 HA2 GLY 22 -10.611 -4.740 0.412
150 H LYS 23 HN LYS 23 -10.868 -5.556 3.109
151 HA LYS 23 HA LYS 23 -12.125 -3.229 4.404
152 1HB LYS 23 HB2 LYS 23 -12.812 -5.471 5.182
153 2HB LYS 23 HB3 LYS 23 -11.124 -5.901 5.584
154 1HG LYS 23 HG2 LYS 23 -11.141 -4.182 7.425
155 2HG LYS 23 HG3 LYS 23 -12.801 -3.688 6.941
156 1HD LYS 23 HD3 LYS 23 -13.616 -6.011 7.323
157 2HD LYS 23 HD2 LYS 23 -11.975 -6.496 7.880
158 1HE LYS 23 HE2 LYS 23 -12.167 -4.923 9.824
159 2HE LYS 23 HE3 LYS 23 -13.780 -4.357 9.221
160 1HZ LYS 23 HZ1 LYS 23 -13.979 -6.017 10.925
161 2HZ LYS 23 HZ2 LYS 23 -14.589 -6.606 9.453
162 3HZ LYS 23 HZ3 LYS 23 -13.076 -7.136 10.018
163 H CYS 24 HN CYS 24 -10.837 -2.008 5.904
164 HA CYS 24 HA CYS 24 -7.929 -2.053 5.416
165 1HB CYS 24 HB2 CYS 24 -9.026 -0.379 3.965
166 2HB CYS 24 HB3 CYS 24 -9.862 0.298 5.389
167 H MET 25 HN MET 25 -7.132 -2.672 7.304
168 HA MET 25 HA MET 25 -8.071 -1.399 9.822
169 1HB MET 25 HB3 MET 25 -7.031 -4.286 9.456
170 2HB MET 25 HB2 MET 25 -7.277 -3.469 11.032
171 1HG MET 25 HG3 MET 25 -9.455 -4.229 9.005
172 2HG MET 25 HG2 MET 25 -9.089 -5.022 10.552
173 1HE MET 25 HE1 MET 25 -9.916 -4.426 12.782
174 2HE MET 25 HE2 MET 25 -8.719 -3.085 12.778
175 3HE MET 25 HE3 MET 25 -10.402 -2.784 13.314
176 H ASN 26 HN ASN 26 -6.630 0.167 10.065
177 HA ASN 26 HA ASN 26 -4.842 1.386 10.152
178 1HB ASN 26 HB2 ASN 26 -4.541 -0.404 12.015
179 2HB ASN 26 HB3 ASN 26 -3.159 -1.027 11.068
180 1HD2 ASN 26 HD2 ASN 26 -1.263 0.586 10.929
181 2HD2 ASN 26 HD2 ASN 26 -1.160 1.775 12.220
182 H ARG 27 HN ARG 27 -5.225 0.755 7.534
183 HA ARG 27 HA ARG 27 -4.342 1.235 5.596
184 1HB ARG 27 HB3 ARG 27 -1.536 1.188 6.758
185 2HB ARG 27 HB2 ARG 27 -1.961 1.767 5.119
186 1HG ARG 27 HG2 ARG 27 -2.819 3.781 5.862
187 2HG ARG 27 HG3 ARG 27 -3.321 3.138 7.456
188 1HD ARG 27 HD3 ARG 27 -1.341 4.709 7.622
189 2HD ARG 27 HD2 ARG 27 -1.027 3.025 8.267
190 HE ARG 27 HE ARG 27 -0.379 3.108 5.452
191 1HH1 ARG 27 HH1 ARG 27 0.960 4.251 8.501
192 2HH1 ARG 27 HH1 ARG 27 2.589 4.088 7.941
193 1HH2 ARG 27 HH2 ARG 27 1.579 2.985 4.773
194 2HH2 ARG 27 HH2 ARG 27 2.952 3.363 5.791
195 H LYS 28 HN LYS 28 -4.463 -1.691 6.781
196 HA LYS 28 HA LYS 28 -2.927 -2.992 4.581
197 1HB LYS 28 HB2 LYS 28 -3.917 -4.259 7.218
198 2HB LYS 28 HB3 LYS 28 -3.010 -5.098 5.926
199 1HG LYS 28 HG3 LYS 28 -1.973 -2.944 7.863
200 2HG LYS 28 HG2 LYS 28 -1.522 -4.666 7.738
201 1HD LYS 28 HD2 LYS 28 -0.912 -2.424 5.730
202 2HD LYS 28 HD3 LYS 28 0.245 -3.156 6.865
203 1HE LYS 28 HE2 LYS 28 0.242 -5.303 5.651
204 2HE LYS 28 HE3 LYS 28 -1.074 -4.731 4.548
205 1HZ LYS 28 HZ1 LYS 28 1.070 -4.520 3.533
206 2HZ LYS 28 HZ2 LYS 28 0.373 -2.989 3.767
207 3HZ LYS 28 HZ3 LYS 28 1.626 -3.514 4.783
208 H CYS 29 HN CYS 29 -4.102 -4.047 2.931
209 HA CYS 29 HA CYS 29 -6.996 -3.781 3.118
210 1HB CYS 29 HB2 CYS 29 -5.268 -4.168 0.641
211 2HB CYS 29 HB3 CYS 29 -7.045 -3.930 0.679
212 H LYS 30 HN LYS 30 -8.011 -5.442 3.814
213 HA LYS 30 HA LYS 30 -7.238 -8.249 3.353
214 1HB LYS 30 HB2 LYS 30 -9.459 -6.906 5.024
215 2HB LYS 30 HB3 LYS 30 -9.155 -8.677 4.991
216 1HG LYS 30 HG2 LYS 30 -7.011 -8.343 6.162
217 2HG LYS 30 HG3 LYS 30 -7.077 -6.574 5.888
218 1HD LYS 30 HD2 LYS 30 -7.632 -6.938 8.169
219 2HD LYS 30 HD3 LYS 30 -9.086 -6.341 7.309
220 1HE LYS 30 HE3 LYS 30 -10.019 -8.707 7.287
221 2HE LYS 30 HE2 LYS 30 -8.538 -9.275 8.162
222 1HZ LYS 30 HZ1 LYS 30 -10.479 -7.233 9.126
223 2HZ LYS 30 HZ2 LYS 30 -10.365 -8.847 9.646
224 3HZ LYS 30 HZ3 LYS 30 -9.093 -7.762 9.953
225 H CYS 31 HN CYS 31 -7.525 -8.030 1.079
226 HA CYS 31 HA CYS 31 -10.070 -7.023 0.102
227 1HB CYS 31 HB3 CYS 31 -7.695 -6.080 -0.334
228 2HB CYS 31 HB2 CYS 31 -7.597 -7.333 -1.579
229 H ASN 32 HN ASN 32 -11.510 -7.932 -1.139
230 HA ASN 32 HA ASN 32 -11.311 -10.822 -1.641
231 1HB ASN 32 HB3 ASN 32 -13.881 -9.034 -1.562
232 2HB ASN 32 HB2 ASN 32 -13.750 -10.821 -1.308
233 1HD2 ASN 32 HD2 ASN 32 -13.439 -7.714 0.192
234 2HD2 ASN 32 HD2 ASN 32 -13.345 -8.383 1.830
235 H ARG 33 HN ARG 33 -13.169 -11.285 -3.626
236 HA ARG 33 HA ARG 33 -12.161 -9.880 -5.960
237 1HB ARG 33 HB2 ARG 33 -13.006 -11.872 -7.161
238 2HB ARG 33 HB3 ARG 33 -12.059 -12.316 -5.762
239 1HG ARG 33 HG2 ARG 33 -13.701 -13.891 -5.785
240 2HG ARG 33 HG3 ARG 33 -13.990 -12.912 -4.329
241 1HD ARG 33 HD3 ARG 33 -15.846 -12.751 -6.877
242 2HD ARG 33 HD2 ARG 33 -15.933 -13.963 -5.551
243 HE ARG 33 HE ARG 33 -15.926 -11.055 -4.718
244 1HH1 ARG 33 HH1 ARG 33 -18.035 -13.708 -5.718
245 2HH1 ARG 33 HH1 ARG 33 -19.375 -13.091 -4.789
246 1HH2 ARG 33 HH2 ARG 33 -17.592 -10.481 -3.479
247 2HH2 ARG 33 HH2 ARG 33 -19.153 -11.247 -3.602
248 H CYS 34 HN CYS 34 -13.631 -9.220 -7.655
249 HA CYS 34 HA CYS 34 -16.439 -9.019 -7.074
250 1HB CYS 34 HB2 CYS 34 -16.735 -6.778 -7.701
251 2HB CYS 34 HB3 CYS 34 -15.418 -6.727 -6.509
252 1HN NH2 35 HT1 CYS 34 -17.566 -9.382 -9.194
253 2HN NH2 35 HT2 CYS 34 -16.619 -9.896 -10.563
Start of MODEL 9
1 2H ALA 1 HN2 ALA 1 -1.811 -4.135 1.605
2 H ALA 1 HN ALA 1 -3.269 -3.922 0.811
3 3H ALA 1 HN3 ALA 1 -1.874 -4.370 -0.095
4 HA ALA 1 HA ALA 1 -0.833 -2.254 0.441
5 1HB ALA 1 HB1 ALA 1 -3.709 -1.963 -0.741
6 2HB ALA 1 HB2 ALA 1 -2.395 -0.760 -0.973
7 3HB ALA 1 HB3 ALA 1 -2.223 -2.394 -1.646
8 H SER 2 HN SER 2 -1.496 0.236 1.189
9 HA SER 2 HA SER 2 -2.634 -0.003 3.873
10 1HB SER 2 HB3 SER 2 -0.787 2.167 2.703
11 2HB SER 2 HB2 SER 2 -1.330 2.003 4.425
12 HG SER 2 HG SER 2 0.789 1.114 3.954
13 H CYS 3 HN CYS 3 -4.079 1.753 4.657
14 HA CYS 3 HA CYS 3 -5.425 3.361 2.551
15 1HB CYS 3 HB2 CYS 3 -7.710 2.531 3.585
16 2HB CYS 3 HB3 CYS 3 -6.770 1.420 2.586
17 H ARG 4 HN ARG 4 -7.236 4.706 3.779
18 HA ARG 4 HA ARG 4 -6.227 5.653 6.418
19 1HB ARG 4 HB2 ARG 4 -7.639 7.467 4.354
20 2HB ARG 4 HB3 ARG 4 -7.196 7.855 6.055
21 1HG ARG 4 HG3 ARG 4 -4.802 7.170 5.384
22 2HG ARG 4 HG2 ARG 4 -5.325 7.605 3.721
23 1HD ARG 4 HD3 ARG 4 -4.199 9.543 4.756
24 2HD ARG 4 HD2 ARG 4 -5.954 9.982 4.727
25 HE ARG 4 HE ARG 4 -4.992 8.557 7.189
26 1HH1 ARG 4 HH1 ARG 4 -5.300 11.739 5.785
27 2HH1 ARG 4 HH1 ARG 4 -5.448 12.506 7.337
28 1HH2 ARG 4 HH2 ARG 4 -5.328 9.529 9.095
29 2HH2 ARG 4 HH2 ARG 4 -5.408 11.259 9.205
30 H THR 5 HN THR 5 -9.099 5.603 4.232
31 HA THR 5 HA THR 5 -10.683 4.225 6.261
32 HB THR 5 HB THR 5 -12.695 5.370 5.248
33 HG1 THR 5 HG1 THR 5 -12.178 7.322 4.110
34 1HG2 THR 5 HG2 THR 5 -10.537 7.282 6.404
35 2HG2 THR 5 HG2 THR 5 -12.313 7.539 6.453
36 3HG2 THR 5 HG2 THR 5 -11.576 6.196 7.398
37 HA PRO 6 HA PRO 6 -10.610 1.189 3.098
38 1HB PRO 6 HB2 PRO 6 -13.605 0.655 3.152
39 2HB PRO 6 HB3 PRO 6 -12.236 -0.442 3.493
40 1HG PRO 6 HG2 PRO 6 -13.819 0.643 5.493
41 2HG PRO 6 HG3 PRO 6 -12.034 0.511 5.736
42 1HD PRO 6 HD2 PRO 6 -13.592 2.982 4.818
43 2HD PRO 6 HD3 PRO 6 -12.334 2.791 6.135
44 H LYS 7 HN LYS 7 -12.582 3.867 2.108
45 HA LYS 7 HA LYS 7 -12.936 3.023 -0.653
46 1HB LYS 7 HB3 LYS 7 -14.625 4.414 0.436
47 2HB LYS 7 HB2 LYS 7 -13.451 5.754 0.624
48 1HG LYS 7 HG3 LYS 7 -15.035 6.157 -1.187
49 2HG LYS 7 HG2 LYS 7 -13.368 6.069 -1.835
50 1HD LYS 7 HD3 LYS 7 -13.795 3.793 -2.739
51 2HD LYS 7 HD2 LYS 7 -15.422 3.768 -1.973
52 1HE LYS 7 HE3 LYS 7 -16.098 5.765 -3.399
53 2HE LYS 7 HE2 LYS 7 -14.489 5.697 -4.222
54 1HZ LYS 7 HZ1 LYS 7 -15.033 3.468 -4.954
55 2HZ LYS 7 HZ2 LYS 7 -16.541 3.541 -4.179
56 3HZ LYS 7 HZ3 LYS 7 -16.198 4.591 -5.469
57 H ASP 8 HN ASP 8 -10.171 4.253 1.098
58 HA ASP 8 HA ASP 8 -8.914 5.491 -1.219
59 1HB ASP 8 HB3 ASP 8 -7.904 4.731 1.607
60 2HB ASP 8 HB2 ASP 8 -6.905 5.603 0.383
61 H CYS 9 HN CYS 9 -9.572 2.226 -0.425
62 HA CYS 9 HA CYS 9 -6.910 1.319 -1.301
63 1HB CYS 9 HB2 CYS 9 -8.194 0.290 0.926
64 2HB CYS 9 HB3 CYS 9 -8.917 -0.694 -0.294
65 H ALA 10 HN ALA 10 -10.085 1.681 -2.632
66 HA ALA 10 HA ALA 10 -10.622 -0.505 -4.079
67 1HB ALA 10 HB1 ALA 10 -11.100 2.399 -4.978
68 2HB ALA 10 HB2 ALA 10 -12.078 0.962 -5.462
69 3HB ALA 10 HB3 ALA 10 -12.064 1.507 -3.758
70 H ASP 11 HN ASP 11 -8.462 2.006 -5.200
71 HA ASP 11 HA ASP 11 -7.803 0.792 -7.739
72 1HB ASP 11 HB2 ASP 11 -6.547 3.287 -6.458
73 2HB ASP 11 HB3 ASP 11 -6.321 2.725 -8.153
74 HA PRO 12 HA PRO 12 -3.569 -0.315 -5.711
75 1HB PRO 12 HB3 PRO 12 -3.263 -0.263 -2.925
76 2HB PRO 12 HB2 PRO 12 -2.783 1.022 -4.077
77 1HG PRO 12 HG2 PRO 12 -5.337 0.701 -2.536
78 2HG PRO 12 HG3 PRO 12 -4.299 2.192 -2.596
79 1HD PRO 12 HD2 PRO 12 -6.551 2.010 -4.145
80 2HD PRO 12 HD3 PRO 12 -5.011 2.638 -4.884
81 H CYS 13 HN CYS 13 -6.709 -1.326 -4.288
82 HA CYS 13 HA CYS 13 -5.983 -4.086 -3.763
83 1HB CYS 13 HB3 CYS 13 -8.065 -2.533 -2.941
84 2HB CYS 13 HB2 CYS 13 -8.828 -3.106 -4.357
85 H ARG 14 HN ARG 14 -7.694 -2.282 -6.422
86 HA ARG 14 HA ARG 14 -8.081 -4.374 -8.276
87 1HB ARG 14 HB3 ARG 14 -9.392 -2.359 -8.208
88 2HB ARG 14 HB2 ARG 14 -7.966 -1.330 -8.574
89 1HG ARG 14 HG3 ARG 14 -7.869 -2.527 -10.897
90 2HG ARG 14 HG2 ARG 14 -9.309 -3.448 -10.348
91 1HD ARG 14 HD2 ARG 14 -9.225 -0.440 -11.091
92 2HD ARG 14 HD3 ARG 14 -10.028 -1.844 -11.896
93 HE ARG 14 HE ARG 14 -10.740 -1.300 -9.019
94 1HH1 ARG 14 HH1 ARG 14 -11.692 -1.104 -12.379
95 2HH1 ARG 14 HH1 ARG 14 -13.260 -0.483 -11.992
96 1HH2 ARG 14 HH2 ARG 14 -12.829 -0.388 -8.632
97 2HH2 ARG 14 HH2 ARG 14 -13.951 -0.299 -9.940
98 H LYS 15 HN LYS 15 -5.532 -1.928 -7.967
99 HA LYS 15 HA LYS 15 -4.141 -2.543 -10.360
100 1HB LYS 15 HB3 LYS 15 -4.240 -0.352 -9.109
101 2HB LYS 15 HB2 LYS 15 -3.137 -1.023 -7.870
102 1HG LYS 15 HG3 LYS 15 -1.363 -1.280 -9.645
103 2HG LYS 15 HG2 LYS 15 -2.516 -0.655 -10.885
104 1HD LYS 15 HD3 LYS 15 -2.682 1.484 -9.505
105 2HD LYS 15 HD2 LYS 15 -1.424 0.787 -8.416
106 1HE LYS 15 HE3 LYS 15 0.213 0.720 -10.327
107 2HE LYS 15 HE2 LYS 15 -1.047 1.419 -11.425
108 1HZ LYS 15 HZ1 LYS 15 0.051 2.697 -8.972
109 2HZ LYS 15 HZ2 LYS 15 0.446 3.082 -10.579
110 3HZ LYS 15 HZ3 LYS 15 -1.129 3.354 -10.002
111 H GLU 16 HN GLU 16 -3.957 -3.778 -7.119
112 HA GLU 16 HA GLU 16 -1.553 -5.408 -7.695
113 1HB GLU 16 HB2 GLU 16 -1.277 -6.047 -5.405
114 2HB GLU 16 HB3 GLU 16 -1.577 -4.296 -5.378
115 1HG GLU 16 HG3 GLU 16 -4.101 -5.057 -4.927
116 2HG GLU 16 HG2 GLU 16 -3.409 -6.665 -4.571
117 H THR 17 HN THR 17 -5.088 -6.047 -6.788
118 HA THR 17 HA THR 17 -4.769 -8.524 -8.305
119 HB THR 17 HB THR 17 -4.042 -9.003 -6.025
120 HG1 THR 17 HG1 THR 17 -6.407 -10.241 -6.905
121 1HG2 THR 17 HG2 THR 17 -5.602 -9.139 -4.171
122 2HG2 THR 17 HG2 THR 17 -5.651 -7.453 -4.795
123 3HG2 THR 17 HG2 THR 17 -6.987 -8.588 -5.169
124 H GLY 18 HN GLY 18 -6.218 -6.348 -9.330
125 1HA GLY 18 HA1 GLY 18 -7.927 -6.163 -10.602
126 2HA GLY 18 HA2 GLY 18 -8.399 -7.808 -10.155
127 H CYS 19 HN CYS 19 -9.194 -7.113 -7.432
128 HA CYS 19 HA CYS 19 -11.880 -6.157 -8.217
129 1HB CYS 19 HB2 CYS 19 -10.866 -7.787 -5.846
130 2HB CYS 19 HB3 CYS 19 -12.575 -7.291 -6.013
131 HA PRO 20 HA PRO 20 -11.628 -2.568 -5.376
132 1HB PRO 20 HB3 PRO 20 -14.114 -1.483 -5.783
133 2HB PRO 20 HB2 PRO 20 -13.035 -1.707 -7.195
134 1HG PRO 20 HG3 PRO 20 -15.149 -3.544 -6.379
135 2HG PRO 20 HG2 PRO 20 -14.953 -2.811 -8.011
136 1HD PRO 20 HD2 PRO 20 -13.910 -5.341 -7.414
137 2HD PRO 20 HD3 PRO 20 -13.030 -4.169 -8.503
138 H TYR 21 HN TYR 21 -11.710 -4.911 -3.790
139 HA TYR 21 HA TYR 21 -13.766 -4.167 -1.761
140 1HB TYR 21 HB3 TYR 21 -13.230 -7.094 -2.720
141 2HB TYR 21 HB2 TYR 21 -13.951 -6.665 -1.146
142 HD1 TYR 21 HD1 TYR 21 -16.222 -6.440 -0.928
143 HD2 TYR 21 HD2 TYR 21 -14.471 -6.229 -4.845
144 HE1 TYR 21 HE1 TYR 21 -18.441 -6.742 -1.916
145 HE2 TYR 21 HE2 TYR 21 -16.730 -6.456 -5.854
146 HH TYR 21 HH TYR 21 -19.605 -7.060 -3.841
147 H GLY 22 HN GLY 22 -12.065 -3.003 -0.607
148 1HA GLY 22 HA1 GLY 22 -10.239 -4.944 0.786
149 2HA GLY 22 HA2 GLY 22 -9.625 -3.374 0.222
150 H LYS 23 HN LYS 23 -10.306 -4.678 3.051
151 HA LYS 23 HA LYS 23 -11.971 -2.452 4.055
152 1HB LYS 23 HB3 LYS 23 -12.868 -4.816 4.389
153 2HB LYS 23 HB2 LYS 23 -11.491 -5.166 5.465
154 1HG LYS 23 HG3 LYS 23 -12.224 -3.438 7.062
155 2HG LYS 23 HG2 LYS 23 -13.583 -2.955 5.976
156 1HD LYS 23 HD3 LYS 23 -14.560 -5.201 6.109
157 2HD LYS 23 HD2 LYS 23 -13.239 -5.753 7.187
158 1HE LYS 23 HE2 LYS 23 -15.215 -3.472 7.882
159 2HE LYS 23 HE3 LYS 23 -15.378 -5.194 8.422
160 1HZ LYS 23 HZ1 LYS 23 -14.339 -3.832 10.077
161 2HZ LYS 23 HZ2 LYS 23 -13.255 -5.011 9.512
162 3HZ LYS 23 HZ3 LYS 23 -13.090 -3.396 9.012
163 H CYS 24 HN CYS 24 -11.132 -1.145 5.587
164 HA CYS 24 HA CYS 24 -8.243 -1.259 6.046
165 1HB CYS 24 HB3 CYS 24 -9.793 0.868 5.406
166 2HB CYS 24 HB2 CYS 24 -10.004 1.004 7.155
167 H MET 25 HN MET 25 -7.747 -2.741 7.488
168 HA MET 25 HA MET 25 -9.402 -3.068 9.965
169 1HB MET 25 HB3 MET 25 -7.536 -5.013 8.462
170 2HB MET 25 HB2 MET 25 -8.276 -5.383 10.051
171 1HG MET 25 HG2 MET 25 -10.558 -5.392 9.078
172 2HG MET 25 HG3 MET 25 -9.949 -5.032 7.444
173 1HE MET 25 HE1 MET 25 -11.038 -7.031 6.353
174 2HE MET 25 HE2 MET 25 -11.009 -8.694 7.021
175 3HE MET 25 HE3 MET 25 -11.804 -7.377 7.949
176 H ASN 26 HN ASN 26 -8.101 -1.022 9.988
177 HA ASN 26 HA ASN 26 -6.964 0.331 11.248
178 1HB ASN 26 HB3 ASN 26 -6.832 -1.290 13.117
179 2HB ASN 26 HB2 ASN 26 -5.220 -1.810 12.535
180 1HD2 ASN 26 HD2 ASN 26 -3.484 -0.278 12.844
181 2HD2 ASN 26 HD2 ASN 26 -3.659 1.071 13.945
182 H ARG 27 HN ARG 27 -6.314 1.144 9.126
183 HA ARG 27 HA ARG 27 -5.145 1.834 7.543
184 1HB ARG 27 HB3 ARG 27 -2.538 1.637 8.996
185 2HB ARG 27 HB2 ARG 27 -3.161 2.879 7.861
186 1HG ARG 27 HG2 ARG 27 -3.751 2.426 10.826
187 2HG ARG 27 HG3 ARG 27 -3.073 3.856 10.004
188 1HD ARG 27 HD3 ARG 27 -5.057 4.885 10.192
189 2HD ARG 27 HD2 ARG 27 -5.717 3.773 8.925
190 HE ARG 27 HE ARG 27 -5.637 2.780 11.790
191 1HH1 ARG 27 HH1 ARG 27 -7.895 4.182 9.323
192 2HH1 ARG 27 HH1 ARG 27 -9.223 3.659 10.300
193 1HH2 ARG 27 HH2 ARG 27 -7.302 2.138 12.758
194 2HH2 ARG 27 HH2 ARG 27 -8.899 2.567 12.246
195 H LYS 28 HN LYS 28 -4.625 -1.390 7.994
196 HA LYS 28 HA LYS 28 -3.100 -1.765 5.492
197 1HB LYS 28 HB3 LYS 28 -2.306 -2.908 7.694
198 2HB LYS 28 HB2 LYS 28 -3.817 -3.862 7.651
199 1HG LYS 28 HG3 LYS 28 -2.128 -5.258 6.746
200 2HG LYS 28 HG2 LYS 28 -3.033 -4.721 5.302
201 1HD LYS 28 HD3 LYS 28 -1.150 -2.874 5.061
202 2HD LYS 28 HD2 LYS 28 -0.309 -3.758 6.380
203 1HE LYS 28 HE2 LYS 28 0.623 -4.489 4.232
204 2HE LYS 28 HE3 LYS 28 -0.358 -5.864 4.892
205 1HZ LYS 28 HZ1 LYS 28 -1.252 -3.864 2.869
206 2HZ LYS 28 HZ2 LYS 28 -0.782 -5.467 2.565
207 3HZ LYS 28 HZ3 LYS 28 -2.177 -5.150 3.479
208 H CYS 29 HN CYS 29 -4.119 -2.737 3.728
209 HA CYS 29 HA CYS 29 -7.011 -3.292 3.986
210 1HB CYS 29 HB2 CYS 29 -5.396 -3.289 1.350
211 2HB CYS 29 HB3 CYS 29 -7.179 -3.204 1.591
212 H LYS 30 HN LYS 30 -7.682 -5.378 4.216
213 HA LYS 30 HA LYS 30 -6.147 -7.579 2.938
214 1HB LYS 30 HB3 LYS 30 -8.543 -7.598 4.873
215 2HB LYS 30 HB2 LYS 30 -8.069 -9.029 3.905
216 1HG LYS 30 HG3 LYS 30 -7.235 -9.272 6.107
217 2HG LYS 30 HG2 LYS 30 -5.897 -9.207 4.915
218 1HD LYS 30 HD2 LYS 30 -5.401 -6.853 5.611
219 2HD LYS 30 HD3 LYS 30 -6.786 -6.879 6.753
220 1HE LYS 30 HE3 LYS 30 -4.260 -8.670 6.886
221 2HE LYS 30 HE2 LYS 30 -4.576 -7.201 7.901
222 1HZ LYS 30 HZ1 LYS 30 -5.090 -9.225 9.054
223 2HZ LYS 30 HZ2 LYS 30 -6.502 -8.312 8.807
224 3HZ LYS 30 HZ3 LYS 30 -6.205 -9.689 7.858
225 H CYS 31 HN CYS 31 -6.583 -7.801 0.796
226 HA CYS 31 HA CYS 31 -8.888 -6.580 -0.434
227 1HB CYS 31 HB3 CYS 31 -6.425 -6.485 -1.309
228 2HB CYS 31 HB2 CYS 31 -6.669 -8.156 -1.875
229 H ASN 32 HN ASN 32 -10.630 -7.623 -1.330
230 HA ASN 32 HA ASN 32 -10.968 -10.536 -0.964
231 1HB ASN 32 HB3 ASN 32 -13.260 -8.481 -0.553
232 2HB ASN 32 HB2 ASN 32 -13.135 -10.178 0.010
233 1HD2 ASN 32 HD2 ASN 32 -11.743 -6.904 0.604
234 2HD2 ASN 32 HD2 ASN 32 -11.218 -7.318 2.197
235 H ARG 33 HN ARG 33 -13.211 -11.196 -2.266
236 HA ARG 33 HA ARG 33 -12.493 -10.807 -5.011
237 1HB ARG 33 HB2 ARG 33 -13.649 -12.824 -5.414
238 2HB ARG 33 HB3 ARG 33 -12.792 -13.009 -3.866
239 1HG ARG 33 HG3 ARG 33 -15.857 -12.628 -4.229
240 2HG ARG 33 HG2 ARG 33 -14.955 -14.110 -3.847
241 1HD ARG 33 HD2 ARG 33 -16.033 -13.437 -1.823
242 2HD ARG 33 HD3 ARG 33 -14.273 -13.057 -1.587
243 HE ARG 33 HE ARG 33 -15.560 -10.722 -2.748
244 1HH1 ARG 33 HH1 ARG 33 -15.615 -12.489 0.291
245 2HH1 ARG 33 HH1 ARG 33 -15.887 -11.041 1.224
246 1HH2 ARG 33 HH2 ARG 33 -16.132 -9.038 -1.596
247 2HH2 ARG 33 HH2 ARG 33 -16.291 -9.092 0.128
248 H CYS 34 HN CYS 34 -13.771 -10.289 -6.786
249 HA CYS 34 HA CYS 34 -16.334 -8.904 -6.311
250 1HB CYS 34 HB3 CYS 34 -15.764 -7.520 -8.270
251 2HB CYS 34 HB2 CYS 34 -14.637 -7.335 -6.901
252 1HN NH2 35 HT1 CYS 34 -16.376 -11.772 -6.756
253 2HN NH2 35 HT2 CYS 34 -17.030 -12.007 -8.362
Start of MODEL 10
1 2H ALA 1 HN2 ALA 1 -0.542 -2.820 1.689
2 H ALA 1 HN ALA 1 1.108 -2.522 1.428
3 3H ALA 1 HN3 ALA 1 0.437 -2.456 3.013
4 HA ALA 1 HA ALA 1 0.849 -0.227 1.871
5 1HB ALA 1 HB1 ALA 1 -0.900 0.401 0.094
6 2HB ALA 1 HB2 ALA 1 0.024 -1.036 -0.403
7 3HB ALA 1 HB3 ALA 1 -1.631 -1.228 0.258
8 H SER 2 HN SER 2 -0.849 1.683 2.308
9 HA SER 2 HA SER 2 -2.275 1.051 4.778
10 1HB SER 2 HB3 SER 2 -1.231 3.722 3.659
11 2HB SER 2 HB2 SER 2 -2.038 3.501 5.256
12 HG SER 2 HG SER 2 -0.332 2.453 5.991
13 H CYS 3 HN CYS 3 -4.201 2.469 5.260
14 HA CYS 3 HA CYS 3 -5.870 3.308 3.034
15 1HB CYS 3 HB2 CYS 3 -7.869 1.838 3.637
16 2HB CYS 3 HB3 CYS 3 -6.452 0.990 3.035
17 H ARG 4 HN ARG 4 -8.180 3.898 4.236
18 HA ARG 4 HA ARG 4 -7.753 5.375 6.737
19 1HB ARG 4 HB2 ARG 4 -8.471 6.631 4.025
20 2HB ARG 4 HB3 ARG 4 -9.028 7.368 5.570
21 1HG ARG 4 HG3 ARG 4 -6.867 7.664 6.450
22 2HG ARG 4 HG2 ARG 4 -6.066 6.833 5.082
23 1HD ARG 4 HD3 ARG 4 -5.892 9.399 5.206
24 2HD ARG 4 HD2 ARG 4 -6.393 8.736 3.597
25 HE ARG 4 HE ARG 4 -8.698 9.278 5.343
26 1HH1 ARG 4 HH1 ARG 4 -6.377 10.946 3.403
27 2HH1 ARG 4 HH1 ARG 4 -7.528 12.076 2.751
28 1HH2 ARG 4 HH2 ARG 4 -10.152 10.782 4.602
29 2HH2 ARG 4 HH2 ARG 4 -9.627 12.072 3.556
30 H THR 5 HN THR 5 -10.019 4.848 3.947
31 HA THR 5 HA THR 5 -11.947 3.637 5.807
32 HB THR 5 HB THR 5 -13.771 4.124 4.400
33 HG1 THR 5 HG1 THR 5 -13.022 5.817 2.658
34 1HG2 THR 5 HG2 THR 5 -12.116 6.767 4.628
35 2HG2 THR 5 HG2 THR 5 -13.891 6.590 4.514
36 3HG2 THR 5 HG2 THR 5 -13.028 5.980 5.959
37 HA PRO 6 HA PRO 6 -10.813 -0.048 3.541
38 1HB PRO 6 HB2 PRO 6 -13.727 -0.919 3.302
39 2HB PRO 6 HB3 PRO 6 -12.348 -1.707 4.054
40 1HG PRO 6 HG3 PRO 6 -14.271 -0.491 5.586
41 2HG PRO 6 HG2 PRO 6 -12.516 -0.382 6.022
42 1HD PRO 6 HD2 PRO 6 -14.147 1.719 4.510
43 2HD PRO 6 HD3 PRO 6 -13.037 1.857 5.969
44 H LYS 7 HN LYS 7 -12.907 2.159 1.727
45 HA LYS 7 HA LYS 7 -12.702 0.634 -0.768
46 1HB LYS 7 HB3 LYS 7 -13.816 3.415 -0.268
47 2HB LYS 7 HB2 LYS 7 -13.978 2.446 -1.770
48 1HG LYS 7 HG3 LYS 7 -15.215 1.734 0.982
49 2HG LYS 7 HG2 LYS 7 -16.002 2.472 -0.439
50 1HD LYS 7 HD3 LYS 7 -16.695 0.321 -0.691
51 2HD LYS 7 HD2 LYS 7 -15.256 0.325 -1.765
52 1HE LYS 7 HE3 LYS 7 -13.960 -0.854 0.139
53 2HE LYS 7 HE2 LYS 7 -15.474 -0.818 1.125
54 1HZ LYS 7 HZ1 LYS 7 -15.089 -2.133 -1.509
55 2HZ LYS 7 HZ2 LYS 7 -15.124 -2.889 0.010
56 3HZ LYS 7 HZ3 LYS 7 -16.518 -2.129 -0.592
57 H ASP 8 HN ASP 8 -10.458 2.562 0.991
58 HA ASP 8 HA ASP 8 -9.146 3.710 -1.308
59 1HB ASP 8 HB3 ASP 8 -8.324 3.543 1.650
60 2HB ASP 8 HB2 ASP 8 -7.423 4.432 0.369
61 H CYS 9 HN CYS 9 -9.133 0.419 0.074
62 HA CYS 9 HA CYS 9 -6.456 -0.005 -1.074
63 1HB CYS 9 HB2 CYS 9 -7.235 -1.254 1.267
64 2HB CYS 9 HB3 CYS 9 -7.817 -2.431 0.112
65 H ALA 10 HN ALA 10 -9.448 0.289 -2.215
66 HA ALA 10 HA ALA 10 -9.918 -1.784 -3.934
67 1HB ALA 10 HB1 ALA 10 -11.608 -0.152 -3.245
68 2HB ALA 10 HB2 ALA 10 -10.738 1.175 -4.085
69 3HB ALA 10 HB3 ALA 10 -11.509 -0.121 -5.031
70 H ASP 11 HN ASP 11 -8.228 1.300 -4.443
71 HA ASP 11 HA ASP 11 -7.607 0.907 -7.229
72 1HB ASP 11 HB2 ASP 11 -6.631 3.202 -5.446
73 2HB ASP 11 HB3 ASP 11 -6.665 3.126 -7.243
74 HA PRO 12 HA PRO 12 -3.142 -0.176 -5.628
75 1HB PRO 12 HB3 PRO 12 -3.862 -1.039 -2.747
76 2HB PRO 12 HB2 PRO 12 -2.319 -0.340 -3.372
77 1HG PRO 12 HG2 PRO 12 -4.200 1.092 -1.941
78 2HG PRO 12 HG3 PRO 12 -3.331 1.877 -3.342
79 1HD PRO 12 HD3 PRO 12 -6.122 0.641 -3.257
80 2HD PRO 12 HD2 PRO 12 -5.561 2.206 -3.993
81 H CYS 13 HN CYS 13 -6.054 -1.902 -4.314
82 HA CYS 13 HA CYS 13 -5.076 -4.520 -4.826
83 1HB CYS 13 HB2 CYS 13 -6.935 -4.249 -3.235
84 2HB CYS 13 HB3 CYS 13 -8.017 -3.795 -4.551
85 H ARG 14 HN ARG 14 -7.129 -2.324 -6.855
86 HA ARG 14 HA ARG 14 -7.726 -3.932 -8.966
87 1HB ARG 14 HB3 ARG 14 -8.555 -1.688 -8.591
88 2HB ARG 14 HB2 ARG 14 -6.928 -0.966 -8.866
89 1HG ARG 14 HG3 ARG 14 -7.103 -1.709 -11.288
90 2HG ARG 14 HG2 ARG 14 -8.660 -2.518 -10.878
91 1HD ARG 14 HD2 ARG 14 -8.196 0.545 -11.074
92 2HD ARG 14 HD3 ARG 14 -9.169 -0.546 -12.122
93 HE ARG 14 HE ARG 14 -9.862 -0.353 -9.163
94 1HH1 ARG 14 HH1 ARG 14 -11.034 -0.144 -12.348
95 2HH1 ARG 14 HH1 ARG 14 -12.356 0.910 -11.964
96 1HH2 ARG 14 HH2 ARG 14 -11.427 1.307 -8.676
97 2HH2 ARG 14 HH2 ARG 14 -12.539 1.737 -9.940
98 H LYS 15 HN LYS 15 -4.516 -2.636 -8.367
99 HA LYS 15 HA LYS 15 -3.482 -3.245 -10.958
100 1HB LYS 15 HB2 LYS 15 -2.844 -1.319 -9.468
101 2HB LYS 15 HB3 LYS 15 -2.086 -2.447 -8.313
102 1HG LYS 15 HG3 LYS 15 -0.409 -3.079 -10.098
103 2HG LYS 15 HG2 LYS 15 -1.249 -1.991 -11.270
104 1HD LYS 15 HD3 LYS 15 -0.788 -0.068 -9.671
105 2HD LYS 15 HD2 LYS 15 0.091 -1.240 -8.619
106 1HE LYS 15 HE3 LYS 15 1.777 -1.632 -10.436
107 2HE LYS 15 HE2 LYS 15 0.872 -0.504 -11.529
108 1HZ LYS 15 HZ1 LYS 15 2.723 0.561 -10.461
109 2HZ LYS 15 HZ2 LYS 15 1.264 1.257 -9.944
110 3HZ LYS 15 HZ3 LYS 15 2.111 0.202 -8.919
111 H GLU 16 HN GLU 16 -3.716 -4.891 -7.825
112 HA GLU 16 HA GLU 16 -1.901 -7.074 -8.653
113 1HB GLU 16 HB2 GLU 16 -2.002 -8.015 -6.346
114 2HB GLU 16 HB3 GLU 16 -1.384 -6.347 -6.356
115 1HG GLU 16 HG3 GLU 16 -3.546 -5.493 -5.650
116 2HG GLU 16 HG2 GLU 16 -4.321 -7.108 -5.606
117 H THR 17 HN THR 17 -5.395 -6.769 -7.532
118 HA THR 17 HA THR 17 -5.890 -9.125 -9.150
119 HB THR 17 HB THR 17 -5.152 -10.110 -7.116
120 HG1 THR 17 HG1 THR 17 -7.564 -11.019 -6.863
121 1HG2 THR 17 HG2 THR 17 -7.627 -8.832 -5.783
122 2HG2 THR 17 HG2 THR 17 -6.662 -10.181 -5.108
123 3HG2 THR 17 HG2 THR 17 -5.915 -8.588 -5.347
124 H GLY 18 HN GLY 18 -6.413 -6.705 -9.873
125 1HA GLY 18 HA1 GLY 18 -7.857 -5.470 -10.910
126 2HA GLY 18 HA2 GLY 18 -8.711 -6.996 -11.096
127 H CYS 19 HN CYS 19 -9.812 -7.016 -8.444
128 HA CYS 19 HA CYS 19 -12.096 -5.300 -9.106
129 1HB CYS 19 HB2 CYS 19 -11.922 -7.650 -7.234
130 2HB CYS 19 HB3 CYS 19 -13.309 -6.546 -7.163
131 HA PRO 20 HA PRO 20 -11.168 -2.245 -6.065
132 1HB PRO 20 HB3 PRO 20 -13.246 -0.478 -6.531
133 2HB PRO 20 HB2 PRO 20 -12.156 -0.988 -7.870
134 1HG PRO 20 HG2 PRO 20 -14.832 -2.258 -7.144
135 2HG PRO 20 HG3 PRO 20 -14.395 -1.552 -8.740
136 1HD PRO 20 HD2 PRO 20 -14.058 -4.256 -8.185
137 2HD PRO 20 HD3 PRO 20 -12.842 -3.315 -9.186
138 H TYR 21 HN TYR 21 -11.670 -4.181 -4.324
139 HA TYR 21 HA TYR 21 -13.839 -3.233 -2.533
140 1HB TYR 21 HB2 TYR 21 -13.620 -5.846 -4.111
141 2HB TYR 21 HB3 TYR 21 -14.016 -6.093 -2.401
142 HD1 TYR 21 HD1 TYR 21 -15.122 -4.576 -5.578
143 HD2 TYR 21 HD2 TYR 21 -16.083 -5.178 -1.441
144 HE1 TYR 21 HE1 TYR 21 -17.376 -3.689 -6.000
145 HE2 TYR 21 HE2 TYR 21 -18.355 -4.335 -1.836
146 HH TYR 21 HH TYR 21 -19.233 -2.847 -4.954
147 H GLY 22 HN GLY 22 -13.235 -3.219 -0.375
148 1HA GLY 22 HA1 GLY 22 -10.918 -4.883 0.369
149 2HA GLY 22 HA2 GLY 22 -10.631 -3.102 0.343
150 H LYS 23 HN LYS 23 -10.128 -4.417 2.556
151 HA LYS 23 HA LYS 23 -12.192 -3.646 4.491
152 1HB LYS 23 HB2 LYS 23 -12.252 -6.044 4.414
153 2HB LYS 23 HB3 LYS 23 -10.454 -6.201 4.412
154 1HG LYS 23 HG2 LYS 23 -10.359 -5.509 6.770
155 2HG LYS 23 HG3 LYS 23 -12.117 -5.121 6.774
156 1HD LYS 23 HD3 LYS 23 -12.681 -7.478 6.305
157 2HD LYS 23 HD2 LYS 23 -10.948 -7.929 6.228
158 1HE LYS 23 HE2 LYS 23 -12.422 -6.855 8.745
159 2HE LYS 23 HE3 LYS 23 -12.029 -8.587 8.399
160 1HZ LYS 23 HZ1 LYS 23 -10.427 -7.574 9.842
161 2HZ LYS 23 HZ2 LYS 23 -9.706 -8.013 8.369
162 3HZ LYS 23 HZ3 LYS 23 -10.061 -6.383 8.688
163 H CYS 24 HN CYS 24 -11.306 -2.364 6.083
164 HA CYS 24 HA CYS 24 -8.391 -1.744 5.766
165 1HB CYS 24 HB3 CYS 24 -10.274 0.049 5.636
166 2HB CYS 24 HB2 CYS 24 -10.359 -0.038 7.389
167 H MET 25 HN MET 25 -6.903 -2.498 7.226
168 HA MET 25 HA MET 25 -7.952 -3.590 9.815
169 1HB MET 25 HB2 MET 25 -5.407 -4.437 8.255
170 2HB MET 25 HB3 MET 25 -5.850 -4.989 9.892
171 1HG MET 25 HG3 MET 25 -7.754 -6.227 9.159
172 2HG MET 25 HG2 MET 25 -7.654 -5.653 7.474
173 1HE MET 25 HE1 MET 25 -7.800 -8.518 8.881
174 2HE MET 25 HE2 MET 25 -7.968 -8.288 7.113
175 3HE MET 25 HE3 MET 25 -6.824 -9.521 7.762
176 H ASN 26 HN ASN 26 -8.067 -1.396 10.434
177 HA ASN 26 HA ASN 26 -7.492 0.383 11.595
178 1HB ASN 26 HB2 ASN 26 -6.604 -1.619 13.023
179 2HB ASN 26 HB3 ASN 26 -4.955 -1.048 12.639
180 1HD2 ASN 26 HD2 ASN 26 -4.989 1.584 13.015
181 2HD2 ASN 26 HD2 ASN 26 -5.696 2.094 14.543
182 H ARG 27 HN ARG 27 -6.830 0.696 8.962
183 HA ARG 27 HA ARG 27 -5.949 2.123 7.626
184 1HB ARG 27 HB2 ARG 27 -4.167 3.199 9.712
185 2HB ARG 27 HB3 ARG 27 -4.254 3.807 8.033
186 1HG ARG 27 HG3 ARG 27 -6.790 4.121 8.328
187 2HG ARG 27 HG2 ARG 27 -6.560 3.743 10.068
188 1HD ARG 27 HD3 ARG 27 -6.644 6.192 9.748
189 2HD ARG 27 HD2 ARG 27 -4.977 5.662 10.274
190 HE ARG 27 HE ARG 27 -5.280 5.655 7.322
191 1HH1 ARG 27 HH1 ARG 27 -4.917 8.013 9.898
192 2HH1 ARG 27 HH1 ARG 27 -3.952 9.077 8.908
193 1HH2 ARG 27 HH2 ARG 27 -3.709 6.760 6.363
194 2HH2 ARG 27 HH2 ARG 27 -3.057 8.247 7.015
195 H LYS 28 HN LYS 28 -4.622 -0.664 8.444
196 HA LYS 28 HA LYS 28 -2.500 -0.597 6.385
197 1HB LYS 28 HB3 LYS 28 -2.364 -1.592 8.938
198 2HB LYS 28 HB2 LYS 28 -2.974 -3.054 8.138
199 1HG LYS 28 HG3 LYS 28 -0.429 -1.350 7.567
200 2HG LYS 28 HG2 LYS 28 -0.488 -2.910 8.461
201 1HD LYS 28 HD2 LYS 28 -1.112 -4.105 6.321
202 2HD LYS 28 HD3 LYS 28 -1.081 -2.522 5.482
203 1HE LYS 28 HE2 LYS 28 1.404 -2.291 6.204
204 2HE LYS 28 HE3 LYS 28 1.327 -4.035 6.669
205 1HZ LYS 28 HZ1 LYS 28 0.723 -2.879 3.980
206 2HZ LYS 28 HZ2 LYS 28 2.141 -3.701 4.429
207 3HZ LYS 28 HZ3 LYS 28 0.656 -4.526 4.389
208 H CYS 29 HN CYS 29 -2.856 -1.880 4.455
209 HA CYS 29 HA CYS 29 -5.543 -2.368 3.756
210 1HB CYS 29 HB2 CYS 29 -2.830 -2.825 2.460
211 2HB CYS 29 HB3 CYS 29 -4.217 -3.560 1.651
212 H LYS 30 HN LYS 30 -6.632 -4.025 2.872
213 HA LYS 30 HA LYS 30 -5.745 -6.683 2.674
214 1HB LYS 30 HB3 LYS 30 -6.596 -6.722 5.012
215 2HB LYS 30 HB2 LYS 30 -8.091 -5.891 4.517
216 1HG LYS 30 HG2 LYS 30 -8.489 -8.270 4.981
217 2HG LYS 30 HG3 LYS 30 -8.876 -7.893 3.280
218 1HD LYS 30 HD3 LYS 30 -7.783 -10.052 3.411
219 2HD LYS 30 HD2 LYS 30 -6.703 -8.926 2.542
220 1HE LYS 30 HE3 LYS 30 -5.295 -8.684 4.650
221 2HE LYS 30 HE2 LYS 30 -6.403 -9.850 5.481
222 1HZ LYS 30 HZ1 LYS 30 -4.819 -10.382 3.025
223 2HZ LYS 30 HZ2 LYS 30 -4.460 -10.912 4.598
224 3HZ LYS 30 HZ3 LYS 30 -5.852 -11.477 3.809
225 H CYS 31 HN CYS 31 -6.928 -7.570 0.798
226 HA CYS 31 HA CYS 31 -8.802 -5.703 -0.520
227 1HB CYS 31 HB3 CYS 31 -6.780 -6.628 -1.903
228 2HB CYS 31 HB2 CYS 31 -7.549 -8.223 -1.772
229 H ASN 32 HN ASN 32 -10.784 -6.667 -1.527
230 HA ASN 32 HA ASN 32 -11.913 -9.022 -0.187
231 1HB ASN 32 HB2 ASN 32 -12.467 -6.833 1.120
232 2HB ASN 32 HB3 ASN 32 -13.492 -6.344 -0.287
233 1HD2 ASN 32 HD2 ASN 32 -14.589 -6.467 2.125
234 2HD2 ASN 32 HD2 ASN 32 -15.629 -7.878 2.236
235 H ARG 33 HN ARG 33 -14.285 -9.264 -1.456
236 HA ARG 33 HA ARG 33 -13.484 -9.201 -4.314
237 1HB ARG 33 HB3 ARG 33 -14.026 -11.410 -2.537
238 2HB ARG 33 HB2 ARG 33 -15.140 -11.523 -3.915
239 1HG ARG 33 HG2 ARG 33 -13.173 -12.783 -4.391
240 2HG ARG 33 HG3 ARG 33 -13.179 -11.393 -5.520
241 1HD ARG 33 HD3 ARG 33 -11.494 -11.370 -2.922
242 2HD ARG 33 HD2 ARG 33 -10.904 -12.179 -4.405
243 HE ARG 33 HE ARG 33 -11.439 -9.210 -3.999
244 1HH1 ARG 33 HH1 ARG 33 -10.305 -11.716 -6.237
245 2HH1 ARG 33 HH1 ARG 33 -9.600 -10.532 -7.314
246 1HH2 ARG 33 HH2 ARG 33 -10.258 -7.815 -5.397
247 2HH2 ARG 33 HH2 ARG 33 -9.462 -8.502 -6.823
248 H CYS 34 HN CYS 34 -14.716 -9.233 -6.022
249 HA CYS 34 HA CYS 34 -17.128 -7.679 -5.958
250 1HB CYS 34 HB2 CYS 34 -16.671 -7.854 -8.527
251 2HB CYS 34 HB3 CYS 34 -15.502 -6.980 -7.519
252 1HN NH2 35 HT1 CYS 34 -17.964 -10.016 -4.793
253 2HN NH2 35 HT2 CYS 34 -18.854 -10.987 -5.958
Start of MODEL 11
1 2H ALA 1 HN2 ALA 1 -1.484 -1.973 2.801
2 H ALA 1 HN ALA 1 -1.776 -0.657 3.856
3 3H ALA 1 HN3 ALA 1 -2.960 -1.148 2.770
4 HA ALA 1 HA ALA 1 -0.404 -0.232 1.670
5 1HB ALA 1 HB1 ALA 1 -1.904 0.114 -0.324
6 2HB ALA 1 HB2 ALA 1 -2.394 -1.437 0.377
7 3HB ALA 1 HB3 ALA 1 -3.376 0.014 0.718
8 H SER 2 HN SER 2 -1.570 2.419 0.672
9 HA SER 2 HA SER 2 -1.470 3.899 3.141
10 1HB SER 2 HB2 SER 2 -1.581 5.884 1.571
11 2HB SER 2 HB3 SER 2 -0.278 4.724 1.162
12 HG SER 2 HG SER 2 -2.852 4.809 -0.015
13 H CYS 3 HN CYS 3 -3.438 2.971 4.194
14 HA CYS 3 HA CYS 3 -5.854 4.323 3.185
15 1HB CYS 3 HB2 CYS 3 -7.349 2.468 3.525
16 2HB CYS 3 HB3 CYS 3 -6.059 2.073 2.381
17 H ARG 4 HN ARG 4 -6.941 5.541 4.482
18 HA ARG 4 HA ARG 4 -6.495 5.394 7.365
19 1HB ARG 4 HB3 ARG 4 -8.103 7.565 5.877
20 2HB ARG 4 HB2 ARG 4 -7.268 7.577 7.474
21 1HG ARG 4 HG3 ARG 4 -5.064 7.371 6.011
22 2HG ARG 4 HG2 ARG 4 -6.120 7.590 4.572
23 1HD ARG 4 HD3 ARG 4 -5.054 9.738 5.123
24 2HD ARG 4 HD2 ARG 4 -6.832 9.876 5.436
25 HE ARG 4 HE ARG 4 -5.120 8.913 7.713
26 1HH1 ARG 4 HH1 ARG 4 -6.469 11.828 6.302
27 2HH1 ARG 4 HH1 ARG 4 -6.531 12.631 7.838
28 1HH2 ARG 4 HH2 ARG 4 -5.192 9.957 9.580
29 2HH2 ARG 4 HH2 ARG 4 -5.777 11.598 9.658
30 H THR 5 HN THR 5 -8.970 5.128 4.790
31 HA THR 5 HA THR 5 -10.784 3.680 6.535
32 HB THR 5 HB THR 5 -12.746 4.661 5.325
33 HG1 THR 5 HG1 THR 5 -12.374 6.699 4.305
34 1HG2 THR 5 HG2 THR 5 -11.015 6.810 6.724
35 2HG2 THR 5 HG2 THR 5 -12.805 6.822 6.561
36 3HG2 THR 5 HG2 THR 5 -12.003 5.575 7.580
37 HA PRO 6 HA PRO 6 -10.187 0.784 3.225
38 1HB PRO 6 HB2 PRO 6 -13.199 0.240 3.004
39 2HB PRO 6 HB3 PRO 6 -11.856 -0.914 3.309
40 1HG PRO 6 HG2 PRO 6 -13.566 -0.033 5.314
41 2HG PRO 6 HG3 PRO 6 -11.802 -0.220 5.655
42 1HD PRO 6 HD3 PRO 6 -13.289 2.362 4.988
43 2HD PRO 6 HD2 PRO 6 -12.049 1.987 6.285
44 H LYS 7 HN LYS 7 -12.298 3.327 2.411
45 HA LYS 7 HA LYS 7 -12.686 3.091 -0.370
46 1HB LYS 7 HB3 LYS 7 -13.977 4.609 1.154
47 2HB LYS 7 HB2 LYS 7 -12.530 5.665 1.330
48 1HG LYS 7 HG3 LYS 7 -12.691 6.199 -1.124
49 2HG LYS 7 HG2 LYS 7 -14.068 5.054 -1.269
50 1HD LYS 7 HD3 LYS 7 -15.385 6.430 0.351
51 2HD LYS 7 HD2 LYS 7 -13.989 7.547 0.547
52 1HE LYS 7 HE3 LYS 7 -14.157 8.230 -1.857
53 2HE LYS 7 HE2 LYS 7 -15.533 7.075 -2.094
54 1HZ LYS 7 HZ1 LYS 7 -16.282 9.307 -1.704
55 2HZ LYS 7 HZ2 LYS 7 -16.768 8.292 -0.433
56 3HZ LYS 7 HZ3 LYS 7 -15.479 9.374 -0.208
57 H ASP 8 HN ASP 8 -9.737 3.853 1.375
58 HA ASP 8 HA ASP 8 -8.437 5.120 -0.925
59 1HB ASP 8 HB3 ASP 8 -7.337 4.376 1.838
60 2HB ASP 8 HB2 ASP 8 -6.516 5.433 0.622
61 H CYS 9 HN CYS 9 -9.066 1.794 -0.062
62 HA CYS 9 HA CYS 9 -6.434 1.003 -1.193
63 1HB CYS 9 HB3 CYS 9 -7.205 0.385 1.203
64 2HB CYS 9 HB2 CYS 9 -8.129 -0.930 0.448
65 H ALA 10 HN ALA 10 -9.285 1.720 -2.356
66 HA ALA 10 HA ALA 10 -10.277 -0.334 -3.826
67 1HB ALA 10 HB1 ALA 10 -10.322 2.684 -4.459
68 2HB ALA 10 HB2 ALA 10 -11.498 1.463 -5.081
69 3HB ALA 10 HB3 ALA 10 -11.408 1.816 -3.327
70 H ASP 11 HN ASP 11 -7.792 1.997 -4.852
71 HA ASP 11 HA ASP 11 -7.358 0.832 -7.452
72 1HB ASP 11 HB2 ASP 11 -5.708 2.998 -6.020
73 2HB ASP 11 HB3 ASP 11 -5.602 2.550 -7.764
74 HA PRO 12 HA PRO 12 -3.317 -1.033 -5.528
75 1HB PRO 12 HB3 PRO 12 -3.122 -1.308 -2.725
76 2HB PRO 12 HB2 PRO 12 -2.456 0.047 -3.716
77 1HG PRO 12 HG3 PRO 12 -5.140 -0.159 -2.357
78 2HG PRO 12 HG2 PRO 12 -3.961 1.180 -2.111
79 1HD PRO 12 HD2 PRO 12 -6.003 1.545 -3.802
80 2HD PRO 12 HD3 PRO 12 -4.340 1.965 -4.414
81 H CYS 13 HN CYS 13 -6.505 -1.729 -3.887
82 HA CYS 13 HA CYS 13 -6.069 -4.601 -3.911
83 1HB CYS 13 HB2 CYS 13 -7.455 -3.649 -2.208
84 2HB CYS 13 HB3 CYS 13 -8.592 -2.995 -3.411
85 H ARG 14 HN ARG 14 -7.582 -2.325 -6.242
86 HA ARG 14 HA ARG 14 -8.482 -4.250 -8.219
87 1HB ARG 14 HB3 ARG 14 -9.418 -2.039 -8.026
88 2HB ARG 14 HB2 ARG 14 -7.830 -1.258 -8.325
89 1HG ARG 14 HG3 ARG 14 -7.914 -2.349 -10.701
90 2HG ARG 14 HG2 ARG 14 -9.503 -3.021 -10.211
91 1HD ARG 14 HD3 ARG 14 -8.868 -0.039 -10.787
92 2HD ARG 14 HD2 ARG 14 -9.867 -1.242 -11.688
93 HE ARG 14 HE ARG 14 -10.585 -0.697 -8.804
94 1HH1 ARG 14 HH2 ARG 14 -11.341 -0.254 -12.156
95 2HH1 ARG 14 HH2 ARG 14 -12.733 0.723 -11.835
96 1HH2 ARG 14 HH1 ARG 14 -12.535 0.565 -8.464
97 2HH2 ARG 14 HH1 ARG 14 -13.430 1.091 -9.862
98 H LYS 15 HN LYS 15 -5.497 -2.267 -7.804
99 HA LYS 15 HA LYS 15 -4.230 -3.049 -10.181
100 1HB LYS 15 HB3 LYS 15 -3.839 -0.973 -8.796
101 2HB LYS 15 HB2 LYS 15 -2.928 -1.953 -7.607
102 1HG LYS 15 HG2 LYS 15 -1.259 -2.515 -9.446
103 2HG LYS 15 HG3 LYS 15 -2.227 -1.500 -10.583
104 1HD LYS 15 HD2 LYS 15 -1.892 0.477 -9.236
105 2HD LYS 15 HD3 LYS 15 -0.961 -0.453 -8.002
106 1HE LYS 15 HE3 LYS 15 0.822 -0.952 -9.698
107 2HE LYS 15 HE2 LYS 15 -0.104 -0.021 -10.949
108 1HZ LYS 15 HZ1 LYS 15 0.090 1.929 -9.557
109 2HZ LYS 15 HZ2 LYS 15 0.958 1.058 -8.387
110 3HZ LYS 15 HZ3 LYS 15 1.618 1.291 -9.934
111 H GLU 16 HN GLU 16 -4.207 -4.502 -6.962
112 HA GLU 16 HA GLU 16 -2.272 -6.569 -7.773
113 1HB GLU 16 HB2 GLU 16 -2.083 -7.419 -5.510
114 2HB GLU 16 HB3 GLU 16 -1.852 -5.659 -5.481
115 1HG GLU 16 HG2 GLU 16 -4.479 -5.683 -4.936
116 2HG GLU 16 HG3 GLU 16 -4.193 -7.389 -4.482
117 H THR 17 HN THR 17 -5.861 -6.541 -6.839
118 HA THR 17 HA THR 17 -5.958 -9.244 -7.991
119 HB THR 17 HB THR 17 -8.148 -9.520 -7.102
120 HG1 THR 17 HG1 THR 17 -7.845 -6.925 -5.911
121 1HG2 THR 17 HG2 THR 17 -6.147 -10.071 -5.712
122 2HG2 THR 17 HG2 THR 17 -6.174 -8.422 -4.981
123 3HG2 THR 17 HG2 THR 17 -7.533 -9.540 -4.706
124 H GLY 18 HN GLY 18 -8.534 -7.017 -8.021
125 1HA GLY 18 HA1 GLY 18 -8.369 -5.800 -10.549
126 2HA GLY 18 HA2 GLY 18 -9.299 -7.317 -10.728
127 H CYS 19 HN CYS 19 -10.169 -6.810 -7.783
128 HA CYS 19 HA CYS 19 -12.468 -5.098 -8.516
129 1HB CYS 19 HB2 CYS 19 -12.150 -7.464 -6.612
130 2HB CYS 19 HB3 CYS 19 -13.596 -6.395 -6.583
131 HA PRO 20 HA PRO 20 -10.807 -2.512 -5.102
132 1HB PRO 20 HB3 PRO 20 -12.890 -0.587 -5.002
133 2HB PRO 20 HB2 PRO 20 -11.886 -0.777 -6.488
134 1HG PRO 20 HG3 PRO 20 -14.489 -2.029 -5.939
135 2HG PRO 20 HG2 PRO 20 -14.068 -1.004 -7.373
136 1HD PRO 20 HD2 PRO 20 -13.955 -3.769 -7.467
137 2HD PRO 20 HD3 PRO 20 -12.667 -2.749 -8.290
138 H TYR 21 HN TYR 21 -11.472 -4.781 -4.117
139 HA TYR 21 HA TYR 21 -13.757 -4.629 -2.223
140 1HB TYR 21 HB2 TYR 21 -12.988 -6.575 -4.327
141 2HB TYR 21 HB3 TYR 21 -12.797 -7.441 -2.841
142 HD1 TYR 21 HD1 TYR 21 -14.998 -5.242 -4.890
143 HD2 TYR 21 HD2 TYR 21 -14.873 -8.076 -1.672
144 HE1 TYR 21 HE1 TYR 21 -17.448 -5.425 -4.981
145 HE2 TYR 21 HE2 TYR 21 -17.316 -8.291 -1.746
146 HH TYR 21 HH TYR 21 -19.237 -7.542 -2.668
147 H GLY 22 HN GLY 22 -11.853 -3.274 -1.091
148 1HA GLY 22 HA1 GLY 22 -10.255 -5.247 0.529
149 2HA GLY 22 HA2 GLY 22 -9.692 -3.631 0.143
150 H LYS 23 HN LYS 23 -10.358 -5.277 2.732
151 HA LYS 23 HA LYS 23 -12.064 -3.261 4.065
152 1HB LYS 23 HB2 LYS 23 -11.577 -6.173 4.899
153 2HB LYS 23 HB3 LYS 23 -12.543 -5.033 5.790
154 1HG LYS 23 HG3 LYS 23 -14.305 -4.906 4.123
155 2HG LYS 23 HG2 LYS 23 -13.418 -5.903 2.942
156 1HD LYS 23 HD3 LYS 23 -15.056 -7.274 3.922
157 2HD LYS 23 HD2 LYS 23 -13.456 -7.846 4.497
158 1HE LYS 23 HE3 LYS 23 -13.882 -6.749 6.734
159 2HE LYS 23 HE2 LYS 23 -15.453 -6.099 6.109
160 1HZ LYS 23 HZ1 LYS 23 -16.186 -8.358 5.764
161 2HZ LYS 23 HZ2 LYS 23 -14.711 -8.969 6.345
162 3HZ LYS 23 HZ3 LYS 23 -15.737 -8.098 7.381
163 H CYS 24 HN CYS 24 -10.864 -1.938 5.085
164 HA CYS 24 HA CYS 24 -8.070 -2.492 5.831
165 1HB CYS 24 HB2 CYS 24 -8.442 -0.712 4.122
166 2HB CYS 24 HB3 CYS 24 -9.593 0.088 5.231
167 H MET 25 HN MET 25 -7.944 -3.077 8.017
168 HA MET 25 HA MET 25 -9.754 -1.709 9.937
169 1HB MET 25 HB2 MET 25 -7.947 -4.144 10.531
170 2HB MET 25 HB3 MET 25 -9.257 -3.459 11.528
171 1HG MET 25 HG3 MET 25 -10.225 -5.361 10.643
172 2HG MET 25 HG2 MET 25 -10.889 -4.120 9.553
173 1HE MET 25 HE1 MET 25 -11.179 -7.119 8.760
174 2HE MET 25 HE2 MET 25 -11.698 -5.637 7.891
175 3HE MET 25 HE3 MET 25 -10.785 -6.922 7.016
176 H ASN 26 HN ASN 26 -8.178 -0.091 8.923
177 HA ASN 26 HA ASN 26 -7.031 1.737 9.291
178 1HB ASN 26 HB2 ASN 26 -7.424 1.391 11.850
179 2HB ASN 26 HB3 ASN 26 -5.728 0.829 11.924
180 1HD2 ASN 26 HD2 ASN 26 -7.787 3.635 11.924
181 2HD2 ASN 26 HD2 ASN 26 -6.501 4.807 11.697
182 H ARG 27 HN ARG 27 -5.426 1.689 7.497
183 HA ARG 27 HA ARG 27 -3.622 1.386 6.447
184 1HB ARG 27 HB3 ARG 27 -2.299 0.441 9.033
185 2HB ARG 27 HB2 ARG 27 -1.432 0.974 7.561
186 1HG ARG 27 HG3 ARG 27 -2.059 3.274 7.894
187 2HG ARG 27 HG2 ARG 27 -3.399 2.871 9.021
188 1HD ARG 27 HD2 ARG 27 -1.933 2.244 10.833
189 2HD ARG 27 HD3 ARG 27 -0.482 2.347 9.742
190 HE ARG 27 HE ARG 27 -1.958 4.869 9.743
191 1HH1 ARG 27 HH1 ARG 27 0.157 3.100 11.898
192 2HH1 ARG 27 HH1 ARG 27 1.170 4.479 12.219
193 1HH2 ARG 27 HH2 ARG 27 -0.721 6.589 10.270
194 2HH2 ARG 27 HH2 ARG 27 0.684 6.422 11.299
195 H LYS 28 HN LYS 28 -4.692 -1.426 8.065
196 HA LYS 28 HA LYS 28 -3.269 -3.379 6.376
197 1HB LYS 28 HB3 LYS 28 -4.975 -3.664 8.929
198 2HB LYS 28 HB2 LYS 28 -4.380 -5.059 8.034
199 1HG LYS 28 HG3 LYS 28 -2.180 -4.742 8.564
200 2HG LYS 28 HG2 LYS 28 -2.262 -2.972 8.758
201 1HD LYS 28 HD2 LYS 28 -3.489 -4.957 10.773
202 2HD LYS 28 HD3 LYS 28 -1.851 -4.229 10.864
203 1HE LYS 28 HE3 LYS 28 -2.876 -1.916 10.912
204 2HE LYS 28 HE2 LYS 28 -4.515 -2.674 11.030
205 1HZ LYS 28 HZ1 LYS 28 -3.773 -3.780 13.037
206 2HZ LYS 28 HZ2 LYS 28 -2.241 -3.060 12.910
207 3HZ LYS 28 HZ3 LYS 28 -3.615 -2.094 13.160
208 H CYS 29 HN CYS 29 -4.312 -3.170 4.256
209 HA CYS 29 HA CYS 29 -7.157 -3.576 4.090
210 1HB CYS 29 HB3 CYS 29 -5.722 -3.756 1.412
211 2HB CYS 29 HB2 CYS 29 -7.123 -2.904 2.015
212 H LYS 30 HN LYS 30 -7.954 -5.554 4.305
213 HA LYS 30 HA LYS 30 -6.618 -7.963 3.215
214 1HB LYS 30 HB2 LYS 30 -7.614 -8.278 5.399
215 2HB LYS 30 HB3 LYS 30 -9.163 -7.518 4.939
216 1HG LYS 30 HG3 LYS 30 -8.268 -10.186 3.677
217 2HG LYS 30 HG2 LYS 30 -9.080 -10.017 5.267
218 1HD LYS 30 HD3 LYS 30 -10.890 -8.601 4.093
219 2HD LYS 30 HD2 LYS 30 -10.303 -9.307 2.555
220 1HE LYS 30 HE2 LYS 30 -10.859 -11.602 3.406
221 2HE LYS 30 HE3 LYS 30 -11.392 -10.884 4.986
222 1HZ LYS 30 HZ1 LYS 30 -12.523 -10.242 2.307
223 2HZ LYS 30 HZ2 LYS 30 -13.234 -11.223 3.497
224 3HZ LYS 30 HZ3 LYS 30 -13.006 -9.565 3.788
225 H CYS 31 HN CYS 31 -6.821 -8.168 1.034
226 HA CYS 31 HA CYS 31 -8.932 -6.840 -0.454
227 1HB CYS 31 HB3 CYS 31 -6.498 -6.790 -1.076
228 2HB CYS 31 HB2 CYS 31 -6.615 -8.497 -1.545
229 H ASN 32 HN ASN 32 -10.228 -8.004 -2.156
230 HA ASN 32 HA ASN 32 -10.873 -10.823 -1.667
231 1HB ASN 32 HB2 ASN 32 -11.881 -9.470 0.258
232 2HB ASN 32 HB3 ASN 32 -12.868 -8.545 -0.868
233 1HD2 ASN 32 HD2 ASN 32 -13.611 -10.390 1.480
234 2HD2 ASN 32 HD2 ASN 32 -14.617 -11.602 0.761
235 H ARG 33 HN ARG 33 -13.455 -10.667 -3.073
236 HA ARG 33 HA ARG 33 -12.597 -9.596 -5.691
237 1HB ARG 33 HB2 ARG 33 -11.990 -12.158 -4.939
238 2HB ARG 33 HB3 ARG 33 -13.568 -12.504 -5.537
239 1HG ARG 33 HG3 ARG 33 -11.730 -12.859 -7.187
240 2HG ARG 33 HG2 ARG 33 -12.777 -11.566 -7.848
241 1HD ARG 33 HD3 ARG 33 -10.177 -11.213 -8.092
242 2HD ARG 33 HD2 ARG 33 -11.064 -9.855 -7.336
243 HE ARG 33 HE ARG 33 -10.282 -10.416 -5.150
244 1HH1 ARG 33 HH1 ARG 33 -8.892 -12.667 -7.550
245 2HH1 ARG 33 HH1 ARG 33 -7.835 -13.427 -6.397
246 1HH2 ARG 33 HH2 ARG 33 -8.997 -11.573 -3.765
247 2HH2 ARG 33 HH2 ARG 33 -7.982 -12.920 -4.257
248 H CYS 34 HN CYS 34 -14.223 -9.984 -7.498
249 HA CYS 34 HA CYS 34 -16.981 -10.046 -6.799
250 1HB CYS 34 HB3 CYS 34 -17.508 -7.856 -7.680
251 2HB CYS 34 HB2 CYS 34 -16.262 -7.607 -6.433
252 1HN NH2 35 HT1 CYS 34 -18.105 -10.051 -9.247
253 2HN NH2 35 HT2 CYS 34 -17.078 -10.770 -10.455
Start of MODEL 12
1 2H ALA 1 HN2 ALA 1 1.100 -0.208 -1.127
2 H ALA 1 HN ALA 1 1.651 0.798 0.139
3 3H ALA 1 HN3 ALA 1 0.833 -0.629 0.520
4 HA ALA 1 HA ALA 1 -0.338 1.844 -0.460
5 1HB ALA 1 HB1 ALA 1 -1.153 0.021 -2.014
6 2HB ALA 1 HB2 ALA 1 -1.573 -1.020 -0.612
7 3HB ALA 1 HB3 ALA 1 -2.473 0.511 -0.906
8 H SER 2 HN SER 2 -2.307 2.349 1.126
9 HA SER 2 HA SER 2 -2.385 0.873 3.577
10 1HB SER 2 HB3 SER 2 -0.385 2.526 3.844
11 2HB SER 2 HB2 SER 2 -1.568 3.860 3.706
12 HG SER 2 HG SER 2 -1.355 1.786 5.675
13 H CYS 3 HN CYS 3 -4.151 2.254 4.974
14 HA CYS 3 HA CYS 3 -6.086 3.582 3.251
15 1HB CYS 3 HB2 CYS 3 -7.928 1.878 3.710
16 2HB CYS 3 HB3 CYS 3 -6.578 1.245 2.746
17 H ARG 4 HN ARG 4 -7.917 4.494 4.323
18 HA ARG 4 HA ARG 4 -7.622 4.790 7.277
19 1HB ARG 4 HB2 ARG 4 -9.038 6.797 5.371
20 2HB ARG 4 HB3 ARG 4 -8.912 6.879 7.157
21 1HG ARG 4 HG3 ARG 4 -6.687 7.234 5.096
22 2HG ARG 4 HG2 ARG 4 -7.478 8.444 6.150
23 1HD ARG 4 HD3 ARG 4 -5.503 8.206 7.373
24 2HD ARG 4 HD2 ARG 4 -6.457 6.918 8.167
25 HE ARG 4 HE ARG 4 -5.064 5.298 7.131
26 1HH1 ARG 4 HH1 ARG 4 -4.725 8.239 5.250
27 2HH1 ARG 4 HH1 ARG 4 -3.199 7.736 4.568
28 1HH2 ARG 4 HH2 ARG 4 -3.269 4.634 6.007
29 2HH2 ARG 4 HH2 ARG 4 -2.477 5.679 4.878
30 H THR 5 HN THR 5 -10.033 4.839 4.598
31 HA THR 5 HA THR 5 -11.920 3.262 6.187
32 HB THR 5 HB THR 5 -13.679 4.079 4.613
33 HG1 THR 5 HG1 THR 5 -13.116 6.003 3.466
34 1HG2 THR 5 HG2 THR 5 -13.285 5.196 6.845
35 2HG2 THR 5 HG2 THR 5 -12.092 6.313 6.098
36 3HG2 THR 5 HG2 THR 5 -13.813 6.377 5.600
37 HA PRO 6 HA PRO 6 -10.855 -0.027 3.493
38 1HB PRO 6 HB2 PRO 6 -13.759 -0.892 3.219
39 2HB PRO 6 HB3 PRO 6 -12.347 -1.750 3.869
40 1HG PRO 6 HG2 PRO 6 -14.272 -0.712 5.521
41 2HG PRO 6 HG3 PRO 6 -12.526 -0.609 5.987
42 1HD PRO 6 HD2 PRO 6 -14.209 1.554 4.619
43 2HD PRO 6 HD3 PRO 6 -13.138 1.648 6.099
44 H LYS 7 HN LYS 7 -12.993 2.195 1.952
45 HA LYS 7 HA LYS 7 -12.797 1.172 -0.744
46 1HB LYS 7 HB3 LYS 7 -13.843 3.800 0.436
47 2HB LYS 7 HB2 LYS 7 -13.566 3.655 -1.320
48 1HG LYS 7 HG3 LYS 7 -15.849 3.281 -0.872
49 2HG LYS 7 HG2 LYS 7 -15.074 1.867 -1.646
50 1HD LYS 7 HD3 LYS 7 -15.073 0.627 0.503
51 2HD LYS 7 HD2 LYS 7 -15.773 2.055 1.353
52 1HE LYS 7 HE3 LYS 7 -17.147 0.522 -0.966
53 2HE LYS 7 HE2 LYS 7 -17.506 0.285 0.793
54 1HZ LYS 7 HZ1 LYS 7 -18.127 2.593 0.931
55 2HZ LYS 7 HZ2 LYS 7 -17.795 2.823 -0.718
56 3HZ LYS 7 HZ3 LYS 7 -19.045 1.777 -0.243
57 H ASP 8 HN ASP 8 -10.531 2.918 1.323
58 HA ASP 8 HA ASP 8 -9.044 4.133 -0.811
59 1HB ASP 8 HB3 ASP 8 -8.269 3.570 2.113
60 2HB ASP 8 HB2 ASP 8 -7.314 4.582 0.965
61 H CYS 9 HN CYS 9 -9.363 0.813 -0.053
62 HA CYS 9 HA CYS 9 -6.666 0.307 -1.201
63 1HB CYS 9 HB2 CYS 9 -7.574 -0.926 1.177
64 2HB CYS 9 HB3 CYS 9 -8.050 -2.093 -0.020
65 H ALA 10 HN ALA 10 -9.678 0.860 -2.330
66 HA ALA 10 HA ALA 10 -10.289 -1.377 -3.884
67 1HB ALA 10 HB1 ALA 10 -12.052 0.082 -4.858
68 2HB ALA 10 HB2 ALA 10 -11.978 0.247 -3.068
69 3HB ALA 10 HB3 ALA 10 -11.286 1.530 -4.107
70 H ASP 11 HN ASP 11 -8.954 1.855 -4.826
71 HA ASP 11 HA ASP 11 -8.305 1.010 -7.501
72 1HB ASP 11 HB2 ASP 11 -7.631 3.556 -5.943
73 2HB ASP 11 HB3 ASP 11 -6.996 3.255 -7.604
74 HA PRO 12 HA PRO 12 -3.765 0.285 -6.231
75 1HB PRO 12 HB3 PRO 12 -3.058 -0.123 -3.565
76 2HB PRO 12 HB2 PRO 12 -3.060 1.482 -4.396
77 1HG PRO 12 HG2 PRO 12 -5.196 0.201 -2.706
78 2HG PRO 12 HG3 PRO 12 -4.494 1.867 -2.514
79 1HD PRO 12 HD3 PRO 12 -6.883 1.474 -3.821
80 2HD PRO 12 HD2 PRO 12 -5.680 2.688 -4.456
81 H CYS 13 HN CYS 13 -6.635 -1.455 -5.034
82 HA CYS 13 HA CYS 13 -5.337 -4.002 -4.821
83 1HB CYS 13 HB2 CYS 13 -7.172 -3.731 -3.396
84 2HB CYS 13 HB3 CYS 13 -8.262 -3.240 -4.715
85 H ARG 14 HN ARG 14 -6.600 -2.069 -7.501
86 HA ARG 14 HA ARG 14 -6.998 -4.155 -9.360
87 1HB ARG 14 HB3 ARG 14 -7.966 -2.013 -9.668
88 2HB ARG 14 HB2 ARG 14 -6.374 -1.188 -9.716
89 1HG ARG 14 HG3 ARG 14 -5.863 -2.350 -11.856
90 2HG ARG 14 HG2 ARG 14 -7.317 -3.382 -11.653
91 1HD ARG 14 HD2 ARG 14 -7.342 -0.339 -12.414
92 2HD ARG 14 HD3 ARG 14 -7.755 -1.731 -13.452
93 HE ARG 14 HE ARG 14 -9.765 -2.193 -12.062
94 1HH1 ARG 14 HH1 ARG 14 -8.417 1.013 -11.539
95 2HH1 ARG 14 HH1 ARG 14 -9.759 1.518 -10.566
96 1HH2 ARG 14 HH2 ARG 14 -11.490 -1.392 -10.867
97 2HH2 ARG 14 HH2 ARG 14 -11.374 0.153 -10.134
98 H LYS 15 HN LYS 15 -4.104 -2.667 -8.134
99 HA LYS 15 HA LYS 15 -2.385 -3.625 -10.228
100 1HB LYS 15 HB2 LYS 15 -1.986 -1.497 -8.942
101 2HB LYS 15 HB3 LYS 15 -1.721 -2.438 -7.448
102 1HG LYS 15 HG3 LYS 15 0.345 -3.458 -8.535
103 2HG LYS 15 HG2 LYS 15 0.025 -2.464 -10.008
104 1HD LYS 15 HD3 LYS 15 0.238 -0.401 -8.549
105 2HD LYS 15 HD2 LYS 15 0.492 -1.484 -7.133
106 1HE LYS 15 HE3 LYS 15 2.633 -2.331 -8.151
107 2HE LYS 15 HE2 LYS 15 2.394 -1.220 -9.563
108 1HZ LYS 15 HZ1 LYS 15 2.649 -0.414 -6.707
109 2HZ LYS 15 HZ2 LYS 15 3.849 -0.289 -7.903
110 3HZ LYS 15 HZ3 LYS 15 2.427 0.633 -8.026
111 H GLU 16 HN GLU 16 -3.559 -4.900 -7.089
112 HA GLU 16 HA GLU 16 -1.533 -7.069 -7.160
113 1HB GLU 16 HB2 GLU 16 -1.972 -7.589 -4.784
114 2HB GLU 16 HB3 GLU 16 -1.420 -5.906 -5.018
115 1HG GLU 16 HG3 GLU 16 -3.718 -5.101 -4.820
116 2HG GLU 16 HG2 GLU 16 -4.371 -6.754 -4.475
117 H THR 17 HN THR 17 -5.126 -6.936 -6.483
118 HA THR 17 HA THR 17 -5.176 -9.726 -7.439
119 HB THR 17 HB THR 17 -6.923 -10.355 -5.953
120 HG1 THR 17 HG1 THR 17 -8.030 -8.703 -5.198
121 1HG2 THR 17 HG2 THR 17 -4.474 -10.558 -5.203
122 2HG2 THR 17 HG2 THR 17 -4.691 -8.961 -4.352
123 3HG2 THR 17 HG2 THR 17 -5.685 -10.355 -3.866
124 H GLY 18 HN GLY 18 -6.609 -6.518 -7.873
125 1HA GLY 18 HA1 GLY 18 -7.418 -6.012 -9.912
126 2HA GLY 18 HA2 GLY 18 -7.862 -7.668 -10.269
127 H CYS 19 HN CYS 19 -9.296 -5.993 -7.355
128 HA CYS 19 HA CYS 19 -11.492 -5.088 -8.997
129 1HB CYS 19 HB3 CYS 19 -11.796 -7.730 -7.698
130 2HB CYS 19 HB2 CYS 19 -13.042 -6.646 -7.131
131 HA PRO 20 HA PRO 20 -11.659 -2.162 -5.979
132 1HB PRO 20 HB2 PRO 20 -13.879 -0.825 -6.752
133 2HB PRO 20 HB3 PRO 20 -12.619 -1.235 -7.948
134 1HG PRO 20 HG3 PRO 20 -15.235 -2.766 -7.436
135 2HG PRO 20 HG2 PRO 20 -14.568 -2.172 -9.024
136 1HD PRO 20 HD2 PRO 20 -14.089 -4.782 -7.937
137 2HD PRO 20 HD3 PRO 20 -13.045 -3.913 -9.130
138 H TYR 21 HN TYR 21 -11.920 -4.105 -4.141
139 HA TYR 21 HA TYR 21 -14.080 -3.138 -2.402
140 1HB TYR 21 HB3 TYR 21 -13.984 -5.935 -3.643
141 2HB TYR 21 HB2 TYR 21 -14.397 -5.878 -1.919
142 HD1 TYR 21 HD1 TYR 21 -15.744 -5.036 -5.252
143 HD2 TYR 21 HD2 TYR 21 -16.322 -4.779 -0.997
144 HE1 TYR 21 HE1 TYR 21 -18.139 -4.419 -5.593
145 HE2 TYR 21 HE2 TYR 21 -18.647 -4.186 -1.322
146 HH TYR 21 HH TYR 21 -20.287 -3.607 -2.816
147 H GLY 22 HN GLY 22 -13.434 -3.307 -0.156
148 1HA GLY 22 HA1 GLY 22 -11.128 -4.981 0.454
149 2HA GLY 22 HA2 GLY 22 -10.802 -3.185 0.462
150 H LYS 23 HN LYS 23 -10.360 -4.663 2.675
151 HA LYS 23 HA LYS 23 -12.310 -3.616 4.601
152 1HB LYS 23 HB3 LYS 23 -10.801 -6.325 4.835
153 2HB LYS 23 HB2 LYS 23 -11.817 -5.571 6.094
154 1HG LYS 23 HG2 LYS 23 -12.918 -6.612 3.420
155 2HG LYS 23 HG3 LYS 23 -13.006 -7.401 5.035
156 1HD LYS 23 HD3 LYS 23 -14.184 -5.326 5.919
157 2HD LYS 23 HD2 LYS 23 -14.294 -4.696 4.236
158 1HE LYS 23 HE2 LYS 23 -15.517 -7.374 5.180
159 2HE LYS 23 HE3 LYS 23 -16.404 -5.801 5.046
160 1HZ LYS 23 HZ1 LYS 23 -16.719 -7.157 3.118
161 2HZ LYS 23 HZ2 LYS 23 -15.879 -5.737 2.714
162 3HZ LYS 23 HZ3 LYS 23 -15.048 -7.216 2.817
163 H CYS 24 HN CYS 24 -11.388 -2.296 5.976
164 HA CYS 24 HA CYS 24 -8.390 -2.265 6.036
165 1HB CYS 24 HB2 CYS 24 -9.416 -0.381 4.833
166 2HB CYS 24 HB3 CYS 24 -10.361 0.033 6.270
167 H MET 25 HN MET 25 -7.375 -2.143 7.922
168 HA MET 25 HA MET 25 -8.960 -2.260 10.413
169 1HB MET 25 HB3 MET 25 -6.810 -4.331 9.526
170 2HB MET 25 HB2 MET 25 -7.598 -4.310 11.137
171 1HG MET 25 HG3 MET 25 -9.797 -4.904 10.074
172 2HG MET 25 HG2 MET 25 -9.049 -4.923 8.460
173 1HE MET 25 HE1 MET 25 -8.423 -8.003 11.866
174 2HE MET 25 HE2 MET 25 -7.666 -6.384 12.016
175 3HE MET 25 HE3 MET 25 -9.456 -6.534 11.898
176 H ASN 26 HN ASN 26 -7.678 -0.218 9.408
177 HA ASN 26 HA ASN 26 -6.628 1.592 10.184
178 1HB ASN 26 HB3 ASN 26 -7.184 0.716 12.503
179 2HB ASN 26 HB2 ASN 26 -5.524 0.049 12.605
180 1HD2 ASN 26 HD2 ASN 26 -4.649 1.577 14.201
181 2HD2 ASN 26 HD2 ASN 26 -4.732 3.297 13.974
182 H ARG 27 HN ARG 27 -5.213 1.710 8.264
183 HA ARG 27 HA ARG 27 -3.416 2.117 7.270
184 1HB ARG 27 HB3 ARG 27 -1.836 1.744 9.843
185 2HB ARG 27 HB2 ARG 27 -1.178 2.334 8.286
186 1HG ARG 27 HG3 ARG 27 -1.634 4.398 8.921
187 2HG ARG 27 HG2 ARG 27 -3.337 4.043 8.491
188 1HD ARG 27 HD2 ARG 27 -3.820 3.486 10.871
189 2HD ARG 27 HD3 ARG 27 -2.104 3.811 11.319
190 HE ARG 27 HE ARG 27 -2.411 6.193 10.832
191 1HH1 ARG 27 HH1 ARG 27 -5.501 4.446 10.901
192 2HH1 ARG 27 HH1 ARG 27 -6.373 5.907 10.848
193 1HH2 ARG 27 HH2 ARG 27 -3.657 7.979 10.668
194 2HH2 ARG 27 HH2 ARG 27 -5.378 7.862 10.793
195 H LYS 28 HN LYS 28 -4.296 -0.770 7.753
196 HA LYS 28 HA LYS 28 -2.213 -2.123 6.133
197 1HB LYS 28 HB3 LYS 28 -2.008 -2.649 8.604
198 2HB LYS 28 HB2 LYS 28 -3.649 -3.352 8.580
199 1HG LYS 28 HG3 LYS 28 -2.804 -5.127 6.974
200 2HG LYS 28 HG2 LYS 28 -1.206 -4.286 6.916
201 1HD LYS 28 HD2 LYS 28 -0.919 -4.640 9.376
202 2HD LYS 28 HD3 LYS 28 -2.512 -5.475 9.440
203 1HE LYS 28 HE2 LYS 28 -1.614 -7.292 7.942
204 2HE LYS 28 HE3 LYS 28 -0.013 -6.442 7.875
205 1HZ LYS 28 HZ1 LYS 28 -1.357 -7.459 10.326
206 2HZ LYS 28 HZ2 LYS 28 -0.046 -8.176 9.517
207 3HZ LYS 28 HZ3 LYS 28 0.140 -6.660 10.263
208 H CYS 29 HN CYS 29 -3.047 -3.077 4.323
209 HA CYS 29 HA CYS 29 -5.925 -3.163 3.929
210 1HB CYS 29 HB2 CYS 29 -3.557 -3.599 1.993
211 2HB CYS 29 HB3 CYS 29 -5.265 -3.790 1.505
212 H LYS 30 HN LYS 30 -7.136 -4.727 3.305
213 HA LYS 30 HA LYS 30 -6.223 -7.371 2.542
214 1HB LYS 30 HB2 LYS 30 -6.988 -7.673 4.906
215 2HB LYS 30 HB3 LYS 30 -8.480 -6.751 4.567
216 1HG LYS 30 HG3 LYS 30 -9.182 -8.631 2.932
217 2HG LYS 30 HG2 LYS 30 -7.699 -9.532 3.438
218 1HD LYS 30 HD2 LYS 30 -8.574 -9.536 5.790
219 2HD LYS 30 HD3 LYS 30 -10.010 -8.602 5.256
220 1HE LYS 30 HE3 LYS 30 -10.690 -10.511 3.739
221 2HE LYS 30 HE2 LYS 30 -9.254 -11.455 4.306
222 1HZ LYS 30 HZ1 LYS 30 -11.467 -10.425 6.005
223 2HZ LYS 30 HZ2 LYS 30 -11.248 -12.028 5.488
224 3HZ LYS 30 HZ3 LYS 30 -10.125 -11.315 6.542
225 H CYS 31 HN CYS 31 -7.124 -7.647 0.463
226 HA CYS 31 HA CYS 31 -9.164 -5.819 -0.473
227 1HB CYS 31 HB2 CYS 31 -7.111 -6.298 -1.869
228 2HB CYS 31 HB3 CYS 31 -7.695 -7.900 -2.219
229 H ASN 32 HN ASN 32 -11.196 -6.610 -1.535
230 HA ASN 32 HA ASN 32 -12.019 -9.355 -0.818
231 1HB ASN 32 HB2 ASN 32 -12.888 -7.661 0.949
232 2HB ASN 32 HB3 ASN 32 -13.999 -7.017 -0.310
233 1HD2 ASN 32 HD2 ASN 32 -15.192 -8.121 1.975
234 2HD2 ASN 32 HD2 ASN 32 -15.791 -9.712 1.602
235 H ARG 33 HN ARG 33 -14.363 -9.641 -2.134
236 HA ARG 33 HA ARG 33 -13.529 -9.006 -4.918
237 1HB ARG 33 HB3 ARG 33 -14.829 -11.442 -3.692
238 2HB ARG 33 HB2 ARG 33 -14.683 -11.269 -5.450
239 1HG ARG 33 HG3 ARG 33 -12.391 -11.371 -3.318
240 2HG ARG 33 HG2 ARG 33 -12.899 -12.690 -4.400
241 1HD ARG 33 HD3 ARG 33 -10.773 -11.861 -5.090
242 2HD ARG 33 HD2 ARG 33 -11.918 -11.449 -6.411
243 HE ARG 33 HE ARG 33 -11.580 -9.187 -4.487
244 1HH1 ARG 33 HH1 ARG 33 -10.010 -10.869 -7.197
245 2HH1 ARG 33 HH1 ARG 33 -8.990 -9.552 -7.596
246 1HH2 ARG 33 HH2 ARG 33 -10.274 -7.486 -5.137
247 2HH2 ARG 33 HH2 ARG 33 -9.159 -7.674 -6.467
248 H CYS 34 HN CYS 34 -14.737 -8.663 -6.621
249 HA CYS 34 HA CYS 34 -17.166 -7.210 -6.300
250 1HB CYS 34 HB3 CYS 34 -16.656 -6.805 -8.780
251 2HB CYS 34 HB2 CYS 34 -15.370 -6.374 -7.629
252 1HN NH2 35 HT1 CYS 34 -17.865 -9.989 -5.735
253 2HN NH2 35 HT2 CYS 34 -18.805 -10.567 -7.103
Start of MODEL 13
1 2H ALA 1 HN2 ALA 1 -1.277 -3.775 -0.265
2 H ALA 1 HN ALA 1 0.059 -2.996 0.483
3 3H ALA 1 HN3 ALA 1 -1.371 -3.220 1.352
4 HA ALA 1 HA ALA 1 -0.766 -1.147 -0.556
5 1HB ALA 1 HB1 ALA 1 -2.567 -2.358 -1.814
6 2HB ALA 1 HB2 ALA 1 -3.572 -2.504 -0.321
7 3HB ALA 1 HB3 ALA 1 -3.291 -0.902 -1.080
8 H SER 2 HN SER 2 -1.847 0.940 0.370
9 HA SER 2 HA SER 2 -2.260 0.721 3.280
10 1HB SER 2 HB3 SER 2 -0.940 2.950 1.630
11 2HB SER 2 HB2 SER 2 -1.325 3.097 3.391
12 HG SER 2 HG SER 2 0.249 1.761 3.845
13 H CYS 3 HN CYS 3 -3.708 2.465 4.206
14 HA CYS 3 HA CYS 3 -5.485 3.886 2.440
15 1HB CYS 3 HB2 CYS 3 -7.609 2.653 3.430
16 2HB CYS 3 HB3 CYS 3 -6.635 1.801 2.224
17 H ARG 4 HN ARG 4 -6.905 5.371 3.725
18 HA ARG 4 HA ARG 4 -5.964 5.783 6.497
19 1HB ARG 4 HB2 ARG 4 -7.571 7.646 4.654
20 2HB ARG 4 HB3 ARG 4 -7.077 7.999 6.335
21 1HG ARG 4 HG3 ARG 4 -4.762 7.997 5.872
22 2HG ARG 4 HG2 ARG 4 -4.969 7.439 4.182
23 1HD ARG 4 HD3 ARG 4 -4.374 9.909 4.479
24 2HD ARG 4 HD2 ARG 4 -5.829 9.639 3.455
25 HE ARG 4 HE ARG 4 -6.308 10.015 6.392
26 1HH1 ARG 4 HH2 ARG 4 -6.017 11.734 3.336
27 2HH1 ARG 4 HH2 ARG 4 -6.919 13.084 3.932
28 1HH2 ARG 4 HH1 ARG 4 -7.635 11.613 6.962
29 2HH2 ARG 4 HH1 ARG 4 -7.782 13.057 6.003
30 H THR 5 HN THR 5 -8.971 5.787 4.469
31 HA THR 5 HA THR 5 -10.483 4.420 6.570
32 HB THR 5 HB THR 5 -12.538 5.479 5.666
33 HG1 THR 5 HG1 THR 5 -11.802 7.540 4.448
34 1HG2 THR 5 HG2 THR 5 -12.175 7.767 6.571
35 2HG2 THR 5 HG2 THR 5 -11.279 6.590 7.584
36 3HG2 THR 5 HG2 THR 5 -10.396 7.606 6.403
37 HA PRO 6 HA PRO 6 -10.616 1.277 3.432
38 1HB PRO 6 HB2 PRO 6 -13.627 0.820 3.725
39 2HB PRO 6 HB3 PRO 6 -12.260 -0.299 3.987
40 1HG PRO 6 HG2 PRO 6 -13.688 0.845 6.083
41 2HG PRO 6 HG3 PRO 6 -11.910 0.588 6.205
42 1HD PRO 6 HD2 PRO 6 -13.378 3.162 5.420
43 2HD PRO 6 HD3 PRO 6 -12.033 2.911 6.635
44 H LYS 7 HN LYS 7 -12.844 3.857 2.826
45 HA LYS 7 HA LYS 7 -13.636 3.417 0.169
46 1HB LYS 7 HB3 LYS 7 -13.324 6.025 1.772
47 2HB LYS 7 HB2 LYS 7 -14.208 5.878 0.222
48 1HG LYS 7 HG3 LYS 7 -14.942 4.440 2.856
49 2HG LYS 7 HG2 LYS 7 -15.693 5.939 2.226
50 1HD LYS 7 HD3 LYS 7 -15.814 3.180 0.836
51 2HD LYS 7 HD2 LYS 7 -17.093 3.929 1.847
52 1HE LYS 7 HE3 LYS 7 -17.306 5.827 0.217
53 2HE LYS 7 HE2 LYS 7 -16.076 5.037 -0.851
54 1HZ LYS 7 HZ1 LYS 7 -17.505 3.112 -0.977
55 2HZ LYS 7 HZ2 LYS 7 -18.660 3.856 0.022
56 3HZ LYS 7 HZ3 LYS 7 -18.308 4.513 -1.505
57 H ASP 8 HN ASP 8 -10.444 4.290 1.358
58 HA ASP 8 HA ASP 8 -9.578 5.408 -1.201
59 1HB ASP 8 HB3 ASP 8 -7.953 4.747 1.350
60 2HB ASP 8 HB2 ASP 8 -7.389 5.702 -0.077
61 H CYS 9 HN CYS 9 -10.139 2.162 -0.020
62 HA CYS 9 HA CYS 9 -7.832 1.139 -1.517
63 1HB CYS 9 HB3 CYS 9 -8.109 0.730 1.003
64 2HB CYS 9 HB2 CYS 9 -9.277 -0.538 0.552
65 H ALA 10 HN ALA 10 -9.826 2.107 -2.881
66 HA ALA 10 HA ALA 10 -11.200 -0.156 -4.183
67 1HB ALA 10 HB1 ALA 10 -11.248 2.850 -4.903
68 2HB ALA 10 HB2 ALA 10 -12.264 1.539 -5.619
69 3HB ALA 10 HB3 ALA 10 -12.455 1.985 -3.892
70 H ASP 11 HN ASP 11 -9.014 2.565 -5.397
71 HA ASP 11 HA ASP 11 -8.069 1.100 -7.572
72 1HB ASP 11 HB3 ASP 11 -8.309 3.563 -7.444
73 2HB ASP 11 HB2 ASP 11 -6.898 3.647 -6.348
74 HA PRO 12 HA PRO 12 -3.923 0.083 -5.179
75 1HB PRO 12 HB3 PRO 12 -4.984 -0.078 -2.282
76 2HB PRO 12 HB2 PRO 12 -3.370 0.479 -2.881
77 1HG PRO 12 HG2 PRO 12 -5.369 2.134 -2.005
78 2HG PRO 12 HG3 PRO 12 -4.308 2.625 -3.408
79 1HD PRO 12 HD3 PRO 12 -7.096 1.413 -3.422
80 2HD PRO 12 HD2 PRO 12 -6.459 2.813 -4.409
81 H CYS 13 HN CYS 13 -7.084 -1.224 -3.957
82 HA CYS 13 HA CYS 13 -6.177 -3.939 -3.570
83 1HB CYS 13 HB3 CYS 13 -8.250 -2.379 -2.661
84 2HB CYS 13 HB2 CYS 13 -9.131 -3.301 -3.828
85 H ARG 14 HN ARG 14 -7.613 -2.029 -6.193
86 HA ARG 14 HA ARG 14 -8.014 -4.042 -8.163
87 1HB ARG 14 HB3 ARG 14 -9.226 -1.928 -8.193
88 2HB ARG 14 HB2 ARG 14 -7.688 -1.012 -8.310
89 1HG ARG 14 HG3 ARG 14 -7.294 -2.025 -10.577
90 2HG ARG 14 HG2 ARG 14 -8.784 -3.011 -10.369
91 1HD ARG 14 HD2 ARG 14 -8.560 0.068 -10.872
92 2HD ARG 14 HD3 ARG 14 -9.264 -1.207 -11.931
93 HE ARG 14 HE ARG 14 -10.644 -1.164 -9.354
94 1HH1 ARG 14 HH2 ARG 14 -10.259 0.819 -12.208
95 2HH1 ARG 14 HH2 ARG 14 -11.698 1.736 -11.890
96 1HH2 ARG 14 HH1 ARG 14 -12.704 -0.182 -9.244
97 2HH2 ARG 14 HH1 ARG 14 -13.069 1.148 -10.292
98 H LYS 15 HN LYS 15 -5.173 -2.559 -6.897
99 HA LYS 15 HA LYS 15 -3.622 -3.165 -9.308
100 1HB LYS 15 HB2 LYS 15 -3.003 -1.543 -6.776
101 2HB LYS 15 HB3 LYS 15 -1.691 -2.007 -7.886
102 1HG LYS 15 HG3 LYS 15 -4.084 -0.274 -8.673
103 2HG LYS 15 HG2 LYS 15 -2.417 0.263 -8.273
104 1HD LYS 15 HD3 LYS 15 -1.669 -1.323 -10.228
105 2HD LYS 15 HD2 LYS 15 -3.416 -1.339 -10.680
106 1HE LYS 15 HE3 LYS 15 -1.614 1.173 -10.418
107 2HE LYS 15 HE2 LYS 15 -2.100 0.381 -11.973
108 1HZ LYS 15 HZ1 LYS 15 -3.458 2.275 -11.456
109 2HZ LYS 15 HZ2 LYS 15 -4.390 0.855 -11.432
110 3HZ LYS 15 HZ3 LYS 15 -3.936 1.596 -9.973
111 H GLU 16 HN GLU 16 -3.631 -3.932 -5.742
112 HA GLU 16 HA GLU 16 -1.551 -5.949 -6.074
113 1HB GLU 16 HB2 GLU 16 -1.717 -6.487 -3.655
114 2HB GLU 16 HB3 GLU 16 -1.585 -4.732 -3.840
115 1HG GLU 16 HG2 GLU 16 -4.196 -4.700 -3.704
116 2HG GLU 16 HG3 GLU 16 -4.148 -6.445 -3.308
117 H THR 17 HN THR 17 -5.101 -6.120 -5.894
118 HA THR 17 HA THR 17 -4.964 -9.075 -6.042
119 HB THR 17 HB THR 17 -7.373 -7.447 -5.079
120 HG1 THR 17 HG1 THR 17 -5.263 -8.653 -3.650
121 H GLY 18 HN GLY 18 -6.788 -6.208 -7.117
122 1HA GLY 18 HA1 GLY 18 -6.818 -5.857 -9.554
123 2HA GLY 18 HA2 GLY 18 -7.255 -7.550 -9.764
124 H CYS 19 HN CYS 19 -8.837 -6.553 -7.103
125 HA CYS 19 HA CYS 19 -11.324 -5.873 -8.573
126 1HB CYS 19 HB2 CYS 19 -10.785 -7.825 -6.212
127 2HB CYS 19 HB3 CYS 19 -12.437 -7.322 -6.672
128 HA PRO 20 HA PRO 20 -11.148 -2.482 -5.824
129 1HB PRO 20 HB2 PRO 20 -13.325 -1.163 -6.672
130 2HB PRO 20 HB3 PRO 20 -12.030 -1.639 -7.812
131 1HG PRO 20 HG3 PRO 20 -14.686 -3.071 -7.219
132 2HG PRO 20 HG2 PRO 20 -14.082 -2.548 -8.847
133 1HD PRO 20 HD2 PRO 20 -13.678 -5.113 -7.747
134 2HD PRO 20 HD3 PRO 20 -12.522 -4.296 -8.907
135 H TYR 21 HN TYR 21 -11.988 -4.835 -4.123
136 HA TYR 21 HA TYR 21 -13.964 -3.435 -2.382
137 1HB TYR 21 HB3 TYR 21 -13.961 -6.493 -3.012
138 2HB TYR 21 HB2 TYR 21 -15.126 -5.671 -1.944
139 HD1 TYR 21 HD1 TYR 21 -16.215 -3.364 -3.534
140 HD2 TYR 21 HD2 TYR 21 -14.907 -7.285 -4.776
141 HE1 TYR 21 HE1 TYR 21 -17.607 -3.198 -5.534
142 HE2 TYR 21 HE2 TYR 21 -16.329 -7.119 -6.761
143 HH TYR 21 HH TYR 21 -18.366 -4.276 -7.429
144 H GLY 22 HN GLY 22 -12.459 -2.751 -0.732
145 1HA GLY 22 HA1 GLY 22 -11.286 -5.068 0.746
146 2HA GLY 22 HA2 GLY 22 -10.223 -3.728 0.218
147 H LYS 23 HN LYS 23 -10.946 -4.763 3.012
148 HA LYS 23 HA LYS 23 -12.032 -2.282 4.145
149 1HB LYS 23 HB2 LYS 23 -13.403 -4.330 4.478
150 2HB LYS 23 HB3 LYS 23 -12.051 -5.126 5.341
151 1HG LYS 23 HG2 LYS 23 -12.220 -3.293 7.121
152 2HG LYS 23 HG3 LYS 23 -13.574 -2.548 6.204
153 1HD LYS 23 HD3 LYS 23 -13.579 -5.411 7.318
154 2HD LYS 23 HD2 LYS 23 -14.236 -3.986 8.195
155 1HE LYS 23 HE2 LYS 23 -15.304 -4.996 5.462
156 2HE LYS 23 HE3 LYS 23 -16.009 -5.376 7.079
157 1HZ LYS 23 HZ1 LYS 23 -16.354 -3.034 7.440
158 2HZ LYS 23 HZ2 LYS 23 -15.684 -2.658 5.925
159 3HZ LYS 23 HZ3 LYS 23 -17.123 -3.556 6.018
160 H CYS 24 HN CYS 24 -10.975 -1.257 5.646
161 HA CYS 24 HA CYS 24 -8.083 -1.668 5.698
162 1HB CYS 24 HB2 CYS 24 -9.220 0.355 4.820
163 2HB CYS 24 HB3 CYS 24 -9.796 0.745 6.440
164 H MET 25 HN MET 25 -7.169 -2.690 7.289
165 HA MET 25 HA MET 25 -8.081 -2.345 10.110
166 1HB MET 25 HB3 MET 25 -7.055 -4.872 8.650
167 2HB MET 25 HB2 MET 25 -7.206 -4.751 10.440
168 1HG MET 25 HG3 MET 25 -9.490 -4.739 8.396
169 2HG MET 25 HG2 MET 25 -9.040 -6.011 9.562
170 1HE MET 25 HE1 MET 25 -11.805 -5.042 9.012
171 2HE MET 25 HE2 MET 25 -11.552 -6.207 10.358
172 3HE MET 25 HE3 MET 25 -12.589 -4.765 10.609
173 H ASN 26 HN ASN 26 -6.559 -1.048 11.031
174 HA ASN 26 HA ASN 26 -4.706 0.015 11.511
175 1HB ASN 26 HB2 ASN 26 -4.446 -2.442 12.396
176 2HB ASN 26 HB3 ASN 26 -3.115 -2.624 11.219
177 1HD2 ASN 26 HD2 ASN 26 -1.498 -0.580 11.480
178 2HD2 ASN 26 HD2 ASN 26 -1.152 -0.108 13.133
179 H ARG 27 HN ARG 27 -5.291 0.324 8.810
180 HA ARG 27 HA ARG 27 -4.619 1.355 7.025
181 1HB ARG 27 HB3 ARG 27 -1.746 1.245 7.997
182 2HB ARG 27 HB2 ARG 27 -2.289 2.072 6.494
183 1HG ARG 27 HG3 ARG 27 -3.788 3.502 7.665
184 2HG ARG 27 HG2 ARG 27 -3.408 2.788 9.272
185 1HD ARG 27 HD2 ARG 27 -1.193 3.681 9.319
186 2HD ARG 27 HD3 ARG 27 -1.231 4.053 7.520
187 HE ARG 27 HE ARG 27 -3.453 5.321 8.944
188 1HH1 ARG 27 HH1 ARG 27 -0.093 5.816 8.156
189 2HH1 ARG 27 HH1 ARG 27 -0.245 7.562 8.191
190 1HH2 ARG 27 HH2 ARG 27 -3.649 7.457 8.856
191 2HH2 ARG 27 HH2 ARG 27 -2.305 8.470 8.479
192 H LYS 28 HN LYS 28 -4.431 -1.868 7.475
193 HA LYS 28 HA LYS 28 -3.245 -2.402 4.802
194 1HB LYS 28 HB2 LYS 28 -3.624 -4.343 7.178
195 2HB LYS 28 HB3 LYS 28 -2.985 -4.785 5.570
196 1HG LYS 28 HG2 LYS 28 -1.634 -2.905 7.605
197 2HG LYS 28 HG3 LYS 28 -1.186 -4.586 7.196
198 1HD LYS 28 HD2 LYS 28 -1.105 -2.172 5.263
199 2HD LYS 28 HD3 LYS 28 0.296 -2.839 6.163
200 1HE LYS 28 HE3 LYS 28 0.245 -4.940 4.919
201 2HE LYS 28 HE2 LYS 28 -1.311 -4.501 4.112
202 1HZ LYS 28 HZ1 LYS 28 -0.218 -2.655 3.056
203 2HZ LYS 28 HZ2 LYS 28 1.258 -3.048 3.796
204 3HZ LYS 28 HZ3 LYS 28 0.553 -4.121 2.685
205 H CYS 29 HN CYS 29 -4.372 -3.501 3.231
206 HA CYS 29 HA CYS 29 -7.274 -3.596 3.573
207 1HB CYS 29 HB2 CYS 29 -5.656 -3.738 0.976
208 2HB CYS 29 HB3 CYS 29 -7.431 -3.570 1.136
209 H LYS 30 HN LYS 30 -8.246 -5.501 3.973
210 HA LYS 30 HA LYS 30 -7.160 -8.025 2.902
211 1HB LYS 30 HB3 LYS 30 -8.637 -9.200 4.429
212 2HB LYS 30 HB2 LYS 30 -7.613 -8.031 5.307
213 1HG LYS 30 HG3 LYS 30 -9.626 -6.411 5.341
214 2HG LYS 30 HG2 LYS 30 -10.595 -7.768 4.679
215 1HD LYS 30 HD2 LYS 30 -9.738 -9.186 6.647
216 2HD LYS 30 HD3 LYS 30 -9.094 -7.671 7.366
217 1HE LYS 30 HE3 LYS 30 -11.480 -6.735 7.347
218 2HE LYS 30 HE2 LYS 30 -12.062 -8.316 6.683
219 1HZ LYS 30 HZ1 LYS 30 -10.641 -7.920 9.263
220 2HZ LYS 30 HZ2 LYS 30 -12.303 -8.197 9.051
221 3HZ LYS 30 HZ3 LYS 30 -11.181 -9.402 8.633
222 H CYS 31 HN CYS 31 -7.757 -8.352 0.879
223 HA CYS 31 HA CYS 31 -9.923 -6.816 -0.239
224 1HB CYS 31 HB3 CYS 31 -7.424 -7.075 -1.061
225 2HB CYS 31 HB2 CYS 31 -7.989 -8.516 -1.911
226 H ASN 32 HN ASN 32 -11.619 -7.460 -1.371
227 HA ASN 32 HA ASN 32 -12.446 -10.314 -1.319
228 1HB ASN 32 HB3 ASN 32 -14.378 -7.928 -1.570
229 2HB ASN 32 HB2 ASN 32 -14.711 -9.588 -0.996
230 1HD2 ASN 32 HD2 ASN 32 -13.337 -6.457 -0.001
231 2HD2 ASN 32 HD2 ASN 32 -13.574 -6.809 1.706
232 H ARG 33 HN ARG 33 -13.901 -10.836 -2.975
233 HA ARG 33 HA ARG 33 -12.371 -10.950 -5.337
234 1HB ARG 33 HB3 ARG 33 -14.311 -12.934 -5.415
235 2HB ARG 33 HB2 ARG 33 -12.847 -12.972 -4.432
236 1HG ARG 33 HG2 ARG 33 -14.656 -13.796 -3.220
237 2HG ARG 33 HG3 ARG 33 -14.289 -12.285 -2.393
238 1HD ARG 33 HD3 ARG 33 -16.667 -12.945 -4.284
239 2HD ARG 33 HD2 ARG 33 -16.688 -12.775 -2.474
240 HE ARG 33 HE ARG 33 -15.829 -10.319 -3.975
241 1HH1 ARG 33 HH1 ARG 33 -18.749 -12.016 -2.890
242 2HH1 ARG 33 HH1 ARG 33 -19.723 -10.775 -3.616
243 1HH2 ARG 33 HH2 ARG 33 -17.100 -8.973 -4.809
244 2HH2 ARG 33 HH2 ARG 33 -18.834 -8.984 -4.508
245 H CYS 34 HN CYS 34 -13.117 -10.997 -7.574
246 HA CYS 34 HA CYS 34 -15.722 -10.210 -8.286
247 1HB CYS 34 HB2 CYS 34 -15.299 -8.177 -9.446
248 2HB CYS 34 HB3 CYS 34 -14.593 -7.918 -7.831
249 1HN CYS 35 HT1 CYS 34 -15.851 -10.670 -10.773
250 2HN CYS 35 HT2 CYS 34 -14.562 -11.640 -11.450
Start of MODEL 14
1 2H ALA 1 HN2 ALA 1 -0.904 -1.414 2.027
2 H ALA 1 HN ALA 1 -0.162 -0.024 2.676
3 3H ALA 1 HN3 ALA 1 -1.692 -0.494 3.213
4 HA ALA 1 HA ALA 1 -1.017 0.472 0.462
5 1HB ALA 1 HB1 ALA 1 -3.769 -0.251 1.748
6 2HB ALA 1 HB2 ALA 1 -3.544 0.276 0.047
7 3HB ALA 1 HB3 ALA 1 -2.898 -1.291 0.578
8 H SER 2 HN SER 2 -2.507 2.590 0.025
9 HA SER 2 HA SER 2 -2.027 4.580 2.026
10 1HB SER 2 HB3 SER 2 -3.034 5.986 0.048
11 2HB SER 2 HB2 SER 2 -1.599 5.003 -0.384
12 HG SER 2 HG SER 2 -4.330 4.418 -0.869
13 H CYS 3 HN CYS 3 -3.678 3.348 3.677
14 HA CYS 3 HA CYS 3 -6.334 4.488 3.098
15 1HB CYS 3 HB2 CYS 3 -7.642 2.476 3.333
16 2HB CYS 3 HB3 CYS 3 -6.520 2.400 1.975
17 H ARG 4 HN ARG 4 -7.089 5.574 4.703
18 HA ARG 4 HA ARG 4 -6.674 4.772 7.472
19 1HB ARG 4 HB2 ARG 4 -7.890 7.275 6.114
20 2HB ARG 4 HB3 ARG 4 -7.961 6.991 7.886
21 1HG ARG 4 HG3 ARG 4 -5.391 7.383 6.274
22 2HG ARG 4 HG2 ARG 4 -6.219 8.534 7.385
23 1HD ARG 4 HD2 ARG 4 -5.823 6.826 9.297
24 2HD ARG 4 HD3 ARG 4 -4.827 5.885 8.096
25 HE ARG 4 HE ARG 4 -4.201 8.805 8.491
26 1HH1 ARG 4 HH1 ARG 4 -3.527 5.561 9.624
27 2HH1 ARG 4 HH1 ARG 4 -2.071 6.046 10.417
28 1HH2 ARG 4 HH2 ARG 4 -2.269 9.344 9.451
29 2HH2 ARG 4 HH2 ARG 4 -1.383 8.160 10.340
30 H THR 5 HN THR 5 -9.226 5.162 4.897
31 HA THR 5 HA THR 5 -10.956 3.425 6.525
32 HB THR 5 HB THR 5 -12.966 4.372 5.559
33 HG1 THR 5 HG1 THR 5 -12.515 6.601 4.654
34 1HG2 THR 5 HG2 THR 5 -12.947 6.553 6.779
35 2HG2 THR 5 HG2 THR 5 -12.039 5.317 7.714
36 3HG2 THR 5 HG2 THR 5 -11.149 6.570 6.782
37 HA PRO 6 HA PRO 6 -10.430 0.627 3.099
38 1HB PRO 6 HB2 PRO 6 -13.378 -0.160 3.285
39 2HB PRO 6 HB3 PRO 6 -11.901 -1.176 3.401
40 1HG PRO 6 HG3 PRO 6 -13.362 -0.494 5.636
41 2HG PRO 6 HG2 PRO 6 -11.547 -0.465 5.683
42 1HD PRO 6 HD3 PRO 6 -13.379 1.939 5.299
43 2HD PRO 6 HD2 PRO 6 -11.945 1.639 6.411
44 H LYS 7 HN LYS 7 -12.830 3.090 2.641
45 HA LYS 7 HA LYS 7 -13.470 2.794 -0.103
46 1HB LYS 7 HB3 LYS 7 -13.544 5.268 1.723
47 2HB LYS 7 HB2 LYS 7 -14.323 5.143 0.106
48 1HG LYS 7 HG3 LYS 7 -15.037 3.367 2.524
49 2HG LYS 7 HG2 LYS 7 -15.895 4.865 2.023
50 1HD LYS 7 HD3 LYS 7 -16.498 3.876 -0.150
51 2HD LYS 7 HD2 LYS 7 -15.623 2.353 0.244
52 1HE LYS 7 HE3 LYS 7 -17.171 1.902 2.136
53 2HE LYS 7 HE2 LYS 7 -18.024 3.472 1.833
54 1HZ LYS 7 HZ1 LYS 7 -17.810 1.200 -0.071
55 2HZ LYS 7 HZ2 LYS 7 -19.169 1.619 0.858
56 3HZ LYS 7 HZ3 LYS 7 -18.608 2.671 -0.352
57 H ASP 8 HN ASP 8 -10.496 3.778 1.413
58 HA ASP 8 HA ASP 8 -9.481 5.141 -0.962
59 1HB ASP 8 HB3 ASP 8 -7.979 4.486 1.644
60 2HB ASP 8 HB2 ASP 8 -7.511 5.665 0.365
61 H CYS 9 HN CYS 9 -9.820 1.767 -0.033
62 HA CYS 9 HA CYS 9 -7.172 1.071 -1.007
63 1HB CYS 9 HB2 CYS 9 -8.392 -0.372 0.998
64 2HB CYS 9 HB3 CYS 9 -9.061 -1.195 -0.372
65 H ALA 10 HN ALA 10 -9.970 1.773 -2.582
66 HA ALA 10 HA ALA 10 -10.726 -0.021 -4.381
67 1HB ALA 10 HB1 ALA 10 -11.673 2.222 -4.156
68 2HB ALA 10 HB2 ALA 10 -10.271 2.942 -5.011
69 3HB ALA 10 HB3 ALA 10 -11.399 1.830 -5.884
70 H ASP 11 HN ASP 11 -8.057 2.177 -5.284
71 HA ASP 11 HA ASP 11 -7.167 0.632 -7.551
72 1HB ASP 11 HB2 ASP 11 -5.890 3.143 -6.313
73 2HB ASP 11 HB3 ASP 11 -5.441 2.405 -7.893
74 HA PRO 12 HA PRO 12 -3.287 -0.422 -4.912
75 1HB PRO 12 HB3 PRO 12 -3.302 -0.290 -2.134
76 2HB PRO 12 HB2 PRO 12 -2.846 1.079 -3.210
77 1HG PRO 12 HG3 PRO 12 -5.593 0.467 -2.126
78 2HG PRO 12 HG2 PRO 12 -4.713 2.011 -1.856
79 1HD PRO 12 HD2 PRO 12 -6.507 1.897 -3.843
80 2HD PRO 12 HD3 PRO 12 -4.857 2.535 -4.282
81 H CYS 13 HN CYS 13 -6.601 -1.351 -3.739
82 HA CYS 13 HA CYS 13 -5.769 -4.077 -3.126
83 1HB CYS 13 HB3 CYS 13 -8.029 -2.688 -2.370
84 2HB CYS 13 HB2 CYS 13 -8.717 -3.578 -3.697
85 H ARG 14 HN ARG 14 -7.054 -2.341 -5.990
86 HA ARG 14 HA ARG 14 -7.534 -4.587 -7.730
87 1HB ARG 14 HB3 ARG 14 -8.708 -2.441 -7.966
88 2HB ARG 14 HB2 ARG 14 -7.175 -1.567 -8.271
89 1HG ARG 14 HG3 ARG 14 -6.946 -3.047 -10.428
90 2HG ARG 14 HG2 ARG 14 -8.522 -3.769 -9.943
91 1HD ARG 14 HD3 ARG 14 -8.091 -0.934 -11.034
92 2HD ARG 14 HD2 ARG 14 -8.980 -2.304 -11.760
93 HE ARG 14 HE ARG 14 -9.771 -0.830 -9.208
94 HH1 ARG 14 HH1 ARG 14 -13.054 -0.956 -10.139
95 HH1 ARG 14 HH1 ARG 14 -11.839 -0.065 -9.293
96 HH2 ARG 14 HH2 ARG 14 -12.475 -2.648 -11.488
97 HH2 ARG 14 HH2 ARG 14 -10.825 -3.196 -11.513
98 H LYS 15 HN LYS 15 -4.922 -2.123 -7.411
99 HA LYS 15 HA LYS 15 -3.263 -3.018 -9.451
100 1HB LYS 15 HB2 LYS 15 -3.361 -0.776 -8.294
101 2HB LYS 15 HB3 LYS 15 -2.503 -1.474 -6.889
102 1HG LYS 15 HG3 LYS 15 -0.477 -1.861 -8.340
103 2HG LYS 15 HG2 LYS 15 -1.427 -1.353 -9.775
104 1HD LYS 15 HD3 LYS 15 0.041 0.369 -9.151
105 2HD LYS 15 HD2 LYS 15 -1.628 0.963 -8.827
106 1HE LYS 15 HE3 LYS 15 0.256 -0.159 -6.614
107 2HE LYS 15 HE2 LYS 15 0.271 1.574 -7.137
108 1HZ LYS 15 HZ1 LYS 15 -2.083 0.131 -6.061
109 2HZ LYS 15 HZ2 LYS 15 -1.103 1.245 -5.233
110 3HZ LYS 15 HZ3 LYS 15 -2.030 1.754 -6.562
111 H GLU 16 HN GLU 16 -3.591 -4.152 -6.215
112 HA GLU 16 HA GLU 16 -1.348 -6.072 -6.456
113 1HB GLU 16 HB2 GLU 16 -1.428 -6.616 -4.073
114 2HB GLU 16 HB3 GLU 16 -1.366 -4.840 -4.237
115 1HG GLU 16 HG3 GLU 16 -3.958 -4.974 -4.031
116 2HG GLU 16 HG2 GLU 16 -3.762 -6.648 -3.440
117 H THR 17 HN THR 17 -4.930 -6.272 -5.660
118 HA THR 17 HA THR 17 -4.831 -9.065 -6.659
119 HB THR 17 HB THR 17 -6.623 -9.471 -4.783
120 HG1 THR 17 HG1 THR 17 -6.344 -6.914 -4.452
121 H GLY 18 HN GLY 18 -5.830 -6.670 -8.319
122 1HA GLY 18 HA1 GLY 18 -7.126 -6.977 -10.084
123 2HA GLY 18 HA2 GLY 18 -8.013 -8.271 -9.280
124 H CYS 19 HN CYS 19 -9.237 -6.616 -7.152
125 HA CYS 19 HA CYS 19 -11.046 -4.870 -8.766
126 1HB CYS 19 HB2 CYS 19 -11.588 -7.633 -7.814
127 2HB CYS 19 HB3 CYS 19 -12.713 -6.521 -7.006
128 HA PRO 20 HA PRO 20 -10.888 -2.327 -5.399
129 1HB PRO 20 HB2 PRO 20 -13.012 -0.722 -5.784
130 2HB PRO 20 HB3 PRO 20 -11.902 -1.071 -7.133
131 1HG PRO 20 HG3 PRO 20 -14.577 -2.461 -6.494
132 2HG PRO 20 HG2 PRO 20 -14.102 -1.674 -8.057
133 1HD PRO 20 HD3 PRO 20 -13.746 -4.408 -7.462
134 2HD PRO 20 HD2 PRO 20 -12.667 -3.476 -8.612
135 H TYR 21 HN TYR 21 -11.794 -4.856 -4.427
136 HA TYR 21 HA TYR 21 -13.881 -4.284 -2.381
137 1HB TYR 21 HB3 TYR 21 -13.399 -6.744 -4.225
138 2HB TYR 21 HB2 TYR 21 -13.628 -7.114 -2.536
139 HD1 TYR 21 HD1 TYR 21 -15.645 -6.849 -1.368
140 HD2 TYR 21 HD2 TYR 21 -15.246 -5.417 -5.399
141 HE1 TYR 21 HE1 TYR 21 -18.058 -6.829 -1.561
142 HE2 TYR 21 HE2 TYR 21 -17.747 -5.345 -5.603
143 HH TYR 21 HH TYR 21 -19.858 -6.568 -3.025
144 H GLY 22 HN GLY 22 -12.331 -3.296 -0.838
145 1HA GLY 22 HA1 GLY 22 -10.792 -5.459 0.535
146 2HA GLY 22 HA2 GLY 22 -9.994 -3.900 0.155
147 H LYS 23 HN LYS 23 -10.421 -5.337 2.720
148 HA LYS 23 HA LYS 23 -11.920 -3.282 4.196
149 1HB LYS 23 HB2 LYS 23 -11.522 -6.218 4.951
150 2HB LYS 23 HB3 LYS 23 -12.327 -5.058 5.961
151 1HG LYS 23 HG3 LYS 23 -14.189 -4.673 4.515
152 2HG LYS 23 HG2 LYS 23 -13.549 -5.701 3.202
153 1HD LYS 23 HD3 LYS 23 -14.349 -6.703 5.995
154 2HD LYS 23 HD2 LYS 23 -15.288 -6.828 4.468
155 1HE LYS 23 HE2 LYS 23 -13.420 -8.195 3.435
156 2HE LYS 23 HE3 LYS 23 -12.569 -8.200 5.033
157 1HZ LYS 23 HZ1 LYS 23 -14.506 -9.229 5.994
158 2HZ LYS 23 HZ2 LYS 23 -15.299 -9.226 4.491
159 3HZ LYS 23 HZ3 LYS 23 -13.886 -10.147 4.705
160 H CYS 24 HN CYS 24 -10.615 -2.034 5.184
161 HA CYS 24 HA CYS 24 -7.772 -2.586 5.586
162 1HB CYS 24 HB2 CYS 24 -8.428 -0.853 3.899
163 2HB CYS 24 HB3 CYS 24 -9.350 0.019 5.167
164 H MET 25 HN MET 25 -7.203 -2.927 7.645
165 HA MET 25 HA MET 25 -8.699 -1.636 9.891
166 1HB MET 25 HB3 MET 25 -7.328 -4.397 9.765
167 2HB MET 25 HB2 MET 25 -7.973 -3.685 11.274
168 1HG MET 25 HG2 MET 25 -10.257 -3.838 10.552
169 2HG MET 25 HG3 MET 25 -9.831 -4.339 8.900
170 1HE MET 25 HE1 MET 25 -8.509 -7.940 9.189
171 2HE MET 25 HE2 MET 25 -8.806 -6.501 8.153
172 3HE MET 25 HE3 MET 25 -7.419 -6.521 9.302
173 H ASN 26 HN ASN 26 -7.099 -0.126 8.872
174 HA ASN 26 HA ASN 26 -5.629 1.446 9.406
175 1HB ASN 26 HB3 ASN 26 -5.506 0.761 11.804
176 2HB ASN 26 HB2 ASN 26 -4.130 -0.308 11.391
177 1HD2 ASN 26 HD2 ASN 26 -2.858 1.055 12.932
178 2HD2 ASN 26 HD2 ASN 26 -2.224 2.572 12.307
179 H ARG 27 HN ARG 27 -4.925 1.371 7.162
180 HA ARG 27 HA ARG 27 -3.787 1.116 5.460
181 1HB ARG 27 HB3 ARG 27 -1.330 0.599 7.160
182 2HB ARG 27 HB2 ARG 27 -1.428 1.347 5.520
183 1HG ARG 27 HG3 ARG 27 -2.997 3.146 6.666
184 2HG ARG 27 HG2 ARG 27 -2.403 2.449 8.207
185 1HD ARG 27 HD3 ARG 27 -1.006 4.332 7.899
186 2HD ARG 27 HD2 ARG 27 0.006 2.959 7.328
187 HE ARG 27 HE ARG 27 -0.216 3.745 5.072
188 1HH1 ARG 27 HH1 ARG 27 -2.546 5.444 7.003
189 2HH1 ARG 27 HH1 ARG 27 -2.644 6.798 5.954
190 1HH2 ARG 27 HH2 ARG 27 -0.225 5.591 3.777
191 2HH2 ARG 27 HH2 ARG 27 -1.306 6.896 4.151
192 H LYS 28 HN LYS 28 -4.240 -1.870 6.950
193 HA LYS 28 HA LYS 28 -2.875 -3.341 4.747
194 1HB LYS 28 HB2 LYS 28 -3.753 -4.395 7.514
195 2HB LYS 28 HB3 LYS 28 -3.071 -5.389 6.192
196 1HG LYS 28 HG3 LYS 28 -0.951 -4.048 6.251
197 2HG LYS 28 HG2 LYS 28 -1.593 -3.100 7.632
198 1HD LYS 28 HD3 LYS 28 -0.166 -4.781 8.542
199 2HD LYS 28 HD2 LYS 28 -1.857 -5.216 8.959
200 1HE LYS 28 HE2 LYS 28 -1.837 -6.980 7.141
201 2HE LYS 28 HE3 LYS 28 -0.149 -6.492 6.699
202 1HZ LYS 28 HZ1 LYS 28 0.541 -7.095 8.918
203 2HZ LYS 28 HZ2 LYS 28 -1.044 -7.547 9.331
204 3HZ LYS 28 HZ3 LYS 28 -0.204 -8.402 8.128
205 H CYS 29 HN CYS 29 -4.192 -3.873 3.043
206 HA CYS 29 HA CYS 29 -7.067 -4.097 3.519
207 1HB CYS 29 HB2 CYS 29 -5.597 -4.146 0.823
208 2HB CYS 29 HB3 CYS 29 -7.364 -3.947 1.117
209 H LYS 30 HN LYS 30 -7.928 -5.988 3.906
210 HA LYS 30 HA LYS 30 -6.841 -8.506 2.807
211 1HB LYS 30 HB2 LYS 30 -9.251 -8.023 4.690
212 2HB LYS 30 HB3 LYS 30 -8.508 -9.607 4.288
213 1HG LYS 30 HG2 LYS 30 -7.274 -7.298 5.921
214 2HG LYS 30 HG3 LYS 30 -7.925 -8.844 6.552
215 1HD LYS 30 HD3 LYS 30 -5.467 -8.577 4.704
216 2HD LYS 30 HD2 LYS 30 -5.397 -8.706 6.486
217 1HE LYS 30 HE2 LYS 30 -6.587 -10.924 4.678
218 2HE LYS 30 HE3 LYS 30 -4.887 -10.866 5.286
219 1HZ LYS 30 HZ1 LYS 30 -6.280 -12.224 6.664
220 2HZ LYS 30 HZ2 LYS 30 -5.718 -10.874 7.530
221 3HZ LYS 30 HZ3 LYS 30 -7.324 -10.923 6.983
222 H CYS 31 HN CYS 31 -7.456 -8.765 0.658
223 HA CYS 31 HA CYS 31 -9.641 -7.170 -0.345
224 1HB CYS 31 HB3 CYS 31 -7.192 -7.593 -1.315
225 2HB CYS 31 HB2 CYS 31 -7.987 -8.896 -2.206
226 H ASN 32 HN ASN 32 -11.223 -8.030 -1.991
227 HA ASN 32 HA ASN 32 -12.091 -10.813 -1.602
228 1HB ASN 32 HB3 ASN 32 -13.182 -8.786 -0.013
229 2HB ASN 32 HB2 ASN 32 -14.289 -8.619 -1.359
230 1HD2 ASN 32 HD2 ASN 32 -13.113 -10.742 1.202
231 2HD2 ASN 32 HD2 ASN 32 -14.363 -11.936 1.000
232 H ARG 33 HN ARG 33 -14.672 -10.504 -2.897
233 HA ARG 33 HA ARG 33 -13.744 -9.936 -5.613
234 1HB ARG 33 HB2 ARG 33 -13.687 -12.401 -4.721
235 2HB ARG 33 HB3 ARG 33 -15.428 -12.368 -4.951
236 1HG ARG 33 HG3 ARG 33 -14.611 -13.281 -7.027
237 2HG ARG 33 HG2 ARG 33 -14.867 -11.570 -7.459
238 1HD ARG 33 HD2 ARG 33 -12.236 -13.150 -7.239
239 2HD ARG 33 HD3 ARG 33 -12.863 -12.028 -8.504
240 HE ARG 33 HE ARG 33 -12.344 -10.602 -5.939
241 1HH1 ARG 33 HH1 ARG 33 -10.776 -11.631 -8.904
242 2HH1 ARG 33 HH1 ARG 33 -9.412 -10.583 -8.553
243 1HH2 ARG 33 HH2 ARG 33 -10.638 -9.655 -5.438
244 2HH2 ARG 33 HH2 ARG 33 -9.274 -9.522 -6.540
245 H CYS 34 HN CYS 34 -14.798 -9.072 -7.143
246 HA CYS 34 HA CYS 34 -17.239 -7.693 -6.596
247 1HB CYS 34 HB3 CYS 34 -16.490 -6.643 -8.861
248 2HB CYS 34 HB2 CYS 34 -15.368 -6.462 -7.490
249 1HN NH2 35 HT1 CYS 34 -16.962 -10.832 -7.556
250 2HN NH2 35 HT2 CYS 34 -18.253 -10.853 -8.752
Start of MODEL 15
1 2H ALA 1 HN2 ALA 1 0.561 -1.105 0.290
2 H ALA 1 HN ALA 1 0.912 -0.367 -1.211
3 3H ALA 1 HN3 ALA 1 1.711 0.127 0.206
4 HA ALA 1 HA ALA 1 0.012 1.746 -0.114
5 1HB ALA 1 HB1 ALA 1 -1.836 -0.708 -0.721
6 2HB ALA 1 HB2 ALA 1 -2.391 1.002 -0.729
7 3HB ALA 1 HB3 ALA 1 -1.188 0.456 -1.926
8 H SER 2 HN SER 2 -1.966 2.261 1.467
9 HA SER 2 HA SER 2 -2.203 0.532 3.777
10 1HB SER 2 HB3 SER 2 -1.781 2.543 5.335
11 2HB SER 2 HB2 SER 2 -0.317 1.925 4.501
12 HG SER 2 HG SER 2 -0.445 4.200 4.409
13 H CYS 3 HN CYS 3 -4.156 1.442 5.120
14 HA CYS 3 HA CYS 3 -5.976 2.908 3.254
15 1HB CYS 3 HB2 CYS 3 -7.904 1.676 4.059
16 2HB CYS 3 HB3 CYS 3 -6.660 0.638 3.355
17 H ARG 4 HN ARG 4 -7.832 3.846 4.415
18 HA ARG 4 HA ARG 4 -7.191 5.283 6.909
19 1HB ARG 4 HB2 ARG 4 -8.480 6.723 4.474
20 2HB ARG 4 HB3 ARG 4 -7.984 7.454 5.988
21 1HG ARG 4 HG3 ARG 4 -6.167 6.289 3.754
22 2HG ARG 4 HG2 ARG 4 -6.649 8.005 3.978
23 1HD ARG 4 HD3 ARG 4 -5.263 8.269 5.947
24 2HD ARG 4 HD2 ARG 4 -4.862 6.514 6.000
25 HE ARG 4 HE ARG 4 -3.876 8.541 3.926
26 1HH1 ARG 4 HH1 ARG 4 -3.851 5.100 4.950
27 2HH1 ARG 4 HH1 ARG 4 -2.435 4.784 3.981
28 1HH2 ARG 4 HH2 ARG 4 -2.085 7.841 2.645
29 2HH2 ARG 4 HH2 ARG 4 -1.680 6.144 2.668
30 H THR 5 HN THR 5 -9.670 4.729 4.301
31 HA THR 5 HA THR 5 -11.577 3.640 6.177
32 HB THR 5 HB THR 5 -13.374 4.504 4.699
33 HG1 THR 5 HG1 THR 5 -12.632 6.274 3.283
34 1HG2 THR 5 HG2 THR 5 -12.590 5.910 6.666
35 2HG2 THR 5 HG2 THR 5 -11.407 6.761 5.614
36 3HG2 THR 5 HG2 THR 5 -13.170 6.934 5.312
37 HA PRO 6 HA PRO 6 -10.765 0.120 3.592
38 1HB PRO 6 HB2 PRO 6 -13.771 -0.446 3.286
39 2HB PRO 6 HB3 PRO 6 -12.470 -1.480 3.898
40 1HG PRO 6 HG2 PRO 6 -14.223 -0.256 5.616
41 2HG PRO 6 HG3 PRO 6 -12.455 -0.272 6.006
42 1HD PRO 6 HD2 PRO 6 -13.997 2.004 4.668
43 2HD PRO 6 HD3 PRO 6 -12.882 1.993 6.126
44 H LYS 7 HN LYS 7 -12.604 2.507 1.917
45 HA LYS 7 HA LYS 7 -12.509 1.199 -0.686
46 1HB LYS 7 HB3 LYS 7 -14.386 2.697 0.099
47 2HB LYS 7 HB2 LYS 7 -13.305 4.106 -0.128
48 1HG LYS 7 HG3 LYS 7 -13.117 3.500 -2.568
49 2HG LYS 7 HG2 LYS 7 -14.069 2.000 -2.265
50 1HD LYS 7 HD3 LYS 7 -16.024 3.374 -1.532
51 2HD LYS 7 HD2 LYS 7 -15.092 4.881 -1.842
52 1HE LYS 7 HE3 LYS 7 -14.959 4.299 -4.287
53 2HE LYS 7 HE2 LYS 7 -15.898 2.781 -3.971
54 1HZ LYS 7 HZ1 LYS 7 -17.288 4.561 -4.741
55 2HZ LYS 7 HZ2 LYS 7 -17.702 4.134 -3.151
56 3HZ LYS 7 HZ3 LYS 7 -16.824 5.558 -3.447
57 H ASP 8 HN ASP 8 -10.189 2.955 1.244
58 HA ASP 8 HA ASP 8 -8.731 4.074 -0.992
59 1HB ASP 8 HB3 ASP 8 -7.904 3.772 1.953
60 2HB ASP 8 HB2 ASP 8 -6.995 4.693 0.702
61 H CYS 9 HN CYS 9 -9.004 0.798 0.047
62 HA CYS 9 HA CYS 9 -6.307 0.226 -1.116
63 1HB CYS 9 HB2 CYS 9 -7.248 -0.911 1.336
64 2HB CYS 9 HB3 CYS 9 -7.709 -2.114 0.168
65 H ALA 10 HN ALA 10 -9.327 0.719 -2.184
66 HA ALA 10 HA ALA 10 -9.934 -1.544 -3.715
67 1HB ALA 10 HB1 ALA 10 -11.639 -0.025 -2.707
68 2HB ALA 10 HB2 ALA 10 -11.083 1.319 -3.754
69 3HB ALA 10 HB3 ALA 10 -11.858 -0.101 -4.489
70 H ASP 11 HN ASP 11 -8.937 1.837 -4.783
71 HA ASP 11 HA ASP 11 -8.462 1.069 -7.470
72 1HB ASP 11 HB2 ASP 11 -7.784 3.525 -5.808
73 2HB ASP 11 HB3 ASP 11 -6.932 3.336 -7.374
74 HA PRO 12 HA PRO 12 -3.865 0.111 -6.566
75 1HB PRO 12 HB3 PRO 12 -3.070 -0.517 -3.932
76 2HB PRO 12 HB2 PRO 12 -3.080 1.175 -4.578
77 1HG PRO 12 HG3 PRO 12 -5.271 -0.307 -3.086
78 2HG PRO 12 HG2 PRO 12 -4.514 1.232 -2.561
79 1HD PRO 12 HD3 PRO 12 -6.813 1.338 -3.924
80 2HD PRO 12 HD2 PRO 12 -5.477 2.445 -4.468
81 H CYS 13 HN CYS 13 -6.684 -1.584 -4.991
82 HA CYS 13 HA CYS 13 -5.407 -4.139 -5.294
83 1HB CYS 13 HB3 CYS 13 -7.443 -3.599 -3.649
84 2HB CYS 13 HB2 CYS 13 -8.412 -4.103 -5.005
85 H ARG 14 HN ARG 14 -7.176 -2.092 -7.425
86 HA ARG 14 HA ARG 14 -8.044 -4.004 -9.357
87 1HB ARG 14 HB3 ARG 14 -8.970 -2.321 -10.500
88 2HB ARG 14 HB2 ARG 14 -8.679 -1.447 -8.980
89 1HG ARG 14 HG3 ARG 14 -6.350 -0.716 -10.394
90 2HG ARG 14 HG2 ARG 14 -7.355 -1.268 -11.736
91 1HD ARG 14 HD2 ARG 14 -7.701 1.212 -9.958
92 2HD ARG 14 HD3 ARG 14 -7.816 1.041 -11.763
93 HE ARG 14 HE ARG 14 -9.932 -0.501 -10.486
94 1HH1 ARG 14 HH2 ARG 14 -9.140 2.824 -11.129
95 2HH1 ARG 14 HH2 ARG 14 -10.809 3.301 -11.247
96 1HH2 ARG 14 HH1 ARG 14 -12.015 0.138 -10.511
97 2HH2 ARG 14 HH1 ARG 14 -12.413 1.782 -10.879
98 H LYS 15 HN LYS 15 -5.127 -3.222 -8.541
99 HA LYS 15 HA LYS 15 -3.730 -3.853 -11.010
100 1HB LYS 15 HB2 LYS 15 -3.316 -1.865 -9.239
101 2HB LYS 15 HB3 LYS 15 -2.284 -3.053 -8.417
102 1HG LYS 15 HG3 LYS 15 -0.942 -1.727 -9.868
103 2HG LYS 15 HG2 LYS 15 -1.076 -3.302 -10.739
104 1HD LYS 15 HD3 LYS 15 -2.853 -2.225 -12.212
105 2HD LYS 15 HD2 LYS 15 -2.799 -0.777 -11.137
106 1HE LYS 15 HE3 LYS 15 -0.460 -0.300 -11.839
107 2HE LYS 15 HE2 LYS 15 -0.488 -1.743 -12.940
108 1HZ LYS 15 HZ1 LYS 15 -0.988 0.294 -14.094
109 2HZ LYS 15 HZ2 LYS 15 -2.339 -0.738 -14.103
110 3HZ LYS 15 HZ3 LYS 15 -2.307 0.611 -13.071
111 H GLU 16 HN GLU 16 -3.933 -5.027 -7.543
112 HA GLU 16 HA GLU 16 -2.191 -7.298 -8.157
113 1HB GLU 16 HB2 GLU 16 -2.081 -7.831 -5.717
114 2HB GLU 16 HB3 GLU 16 -1.554 -6.175 -6.066
115 1HG GLU 16 HG3 GLU 16 -3.907 -5.414 -5.458
116 2HG GLU 16 HG2 GLU 16 -4.285 -7.064 -4.847
117 H THR 17 HN THR 17 -5.616 -7.026 -6.882
118 HA THR 17 HA THR 17 -5.871 -9.875 -7.654
119 HB THR 17 HB THR 17 -7.704 -10.295 -6.448
120 HG1 THR 17 HG1 THR 17 -8.809 -8.889 -5.241
121 1HG2 THR 17 HG2 THR 17 -5.457 -10.144 -5.239
122 2HG2 THR 17 HG2 THR 17 -5.953 -8.521 -4.621
123 3HG2 THR 17 HG2 THR 17 -6.880 -9.962 -4.160
124 H GLY 18 HN GLY 18 -7.008 -6.604 -8.316
125 1HA GLY 18 HA1 GLY 18 -7.464 -5.952 -10.481
126 2HA GLY 18 HA2 GLY 18 -8.100 -7.542 -10.912
127 H CYS 19 HN CYS 19 -9.361 -6.779 -7.893
128 HA CYS 19 HA CYS 19 -11.683 -5.389 -9.162
129 1HB CYS 19 HB2 CYS 19 -11.776 -7.742 -7.276
130 2HB CYS 19 HB3 CYS 19 -13.171 -6.637 -7.517
131 HA PRO 20 HA PRO 20 -10.704 -2.399 -6.109
132 1HB PRO 20 HB2 PRO 20 -12.532 -0.488 -6.855
133 2HB PRO 20 HB3 PRO 20 -11.139 -0.942 -7.893
134 1HG PRO 20 HG3 PRO 20 -14.049 -1.886 -7.983
135 2HG PRO 20 HG2 PRO 20 -13.072 -1.259 -9.367
136 1HD PRO 20 HD2 PRO 20 -13.385 -3.966 -8.784
137 2HD PRO 20 HD3 PRO 20 -11.835 -3.289 -9.488
138 H TYR 21 HN TYR 21 -11.198 -3.717 -4.204
139 HA TYR 21 HA TYR 21 -13.591 -2.940 -2.728
140 1HB TYR 21 HB3 TYR 21 -12.824 -5.772 -3.762
141 2HB TYR 21 HB2 TYR 21 -13.575 -5.679 -2.176
142 HD1 TYR 21 HD1 TYR 21 -14.234 -5.273 -5.769
143 HD2 TYR 21 HD2 TYR 21 -15.890 -4.937 -1.816
144 HE1 TYR 21 HE1 TYR 21 -16.537 -5.319 -6.715
145 HE2 TYR 21 HE2 TYR 21 -18.155 -4.977 -2.738
146 HH TYR 21 HH TYR 21 -19.450 -5.204 -4.641
147 H GLY 22 HN GLY 22 -13.212 -3.601 -0.293
148 1HA GLY 22 HA1 GLY 22 -10.822 -4.838 0.538
149 2HA GLY 22 HA2 GLY 22 -10.521 -3.056 0.505
150 H LYS 23 HN LYS 23 -10.247 -4.440 2.826
151 HA LYS 23 HA LYS 23 -12.372 -3.351 4.546
152 1HB LYS 23 HB2 LYS 23 -12.662 -5.772 4.566
153 2HB LYS 23 HB3 LYS 23 -10.921 -6.023 4.939
154 1HG LYS 23 HG2 LYS 23 -12.187 -6.432 6.895
155 2HG LYS 23 HG3 LYS 23 -11.332 -4.901 7.234
156 1HD LYS 23 HD3 LYS 23 -13.464 -3.630 6.841
157 2HD LYS 23 HD2 LYS 23 -14.275 -5.159 6.351
158 1HE LYS 23 HE2 LYS 23 -13.906 -6.088 8.678
159 2HE LYS 23 HE3 LYS 23 -13.190 -4.501 9.173
160 1HZ LYS 23 HZ1 LYS 23 -15.500 -4.681 9.762
161 2HZ LYS 23 HZ2 LYS 23 -15.285 -3.453 8.609
162 3HZ LYS 23 HZ3 LYS 23 -15.951 -4.946 8.145
163 H CYS 24 HN CYS 24 -11.595 -2.079 6.126
164 HA CYS 24 HA CYS 24 -8.634 -1.805 6.367
165 1HB CYS 24 HB3 CYS 24 -10.177 0.171 5.674
166 2HB CYS 24 HB2 CYS 24 -10.614 0.321 7.372
167 H MET 25 HN MET 25 -7.590 -2.193 8.186
168 HA MET 25 HA MET 25 -9.070 -2.536 10.742
169 1HB MET 25 HB3 MET 25 -7.038 -4.520 9.482
170 2HB MET 25 HB2 MET 25 -7.643 -4.640 11.171
171 1HG MET 25 HG3 MET 25 -9.942 -5.120 10.351
172 2HG MET 25 HG2 MET 25 -9.396 -4.964 8.657
173 1HE MET 25 HE1 MET 25 -6.452 -6.529 8.649
174 2HE MET 25 HE2 MET 25 -7.221 -7.961 7.893
175 3HE MET 25 HE3 MET 25 -7.789 -6.313 7.464
176 H ASN 26 HN ASN 26 -8.230 -0.685 11.639
177 HA ASN 26 HA ASN 26 -6.841 0.776 12.478
178 1HB ASN 26 HB2 ASN 26 -6.321 -1.576 13.589
179 2HB ASN 26 HB3 ASN 26 -4.700 -1.422 12.861
180 1HD2 ASN 26 HD2 ASN 26 -3.904 1.108 13.414
181 2HD2 ASN 26 HD2 ASN 26 -4.004 1.396 15.158
182 H ARG 27 HN ARG 27 -6.584 0.725 9.610
183 HA ARG 27 HA ARG 27 -5.580 1.966 8.060
184 1HB ARG 27 HB3 ARG 27 -3.072 2.207 9.777
185 2HB ARG 27 HB2 ARG 27 -3.284 2.986 8.173
186 1HG ARG 27 HG2 ARG 27 -4.938 4.516 8.958
187 2HG ARG 27 HG3 ARG 27 -5.266 3.545 10.430
188 1HD ARG 27 HD3 ARG 27 -2.833 4.054 11.209
189 2HD ARG 27 HD2 ARG 27 -2.776 5.252 9.863
190 HE ARG 27 HE ARG 27 -4.374 6.614 10.998
191 1HH1 ARG 27 HH1 ARG 27 -4.164 3.562 12.699
192 2HH1 ARG 27 HH1 ARG 27 -4.971 4.179 14.126
193 1HH2 ARG 27 HH2 ARG 27 -5.514 7.291 12.782
194 2HH2 ARG 27 HH2 ARG 27 -5.790 6.207 14.109
195 H LYS 28 HN LYS 28 -4.693 -1.139 9.069
196 HA LYS 28 HA LYS 28 -2.736 -1.621 6.923
197 1HB LYS 28 HB3 LYS 28 -2.529 -2.605 9.239
198 2HB LYS 28 HB2 LYS 28 -3.944 -3.646 8.906
199 1HG LYS 28 HG3 LYS 28 -2.721 -4.689 6.973
200 2HG LYS 28 HG2 LYS 28 -1.295 -3.644 7.296
201 1HD LYS 28 HD3 LYS 28 -2.523 -5.634 9.304
202 2HD LYS 28 HD2 LYS 28 -1.187 -6.030 8.161
203 1HE LYS 28 HE2 LYS 28 0.243 -4.226 9.218
204 2HE LYS 28 HE3 LYS 28 -1.059 -3.942 10.444
205 1HZ LYS 28 HZ1 LYS 28 0.359 -6.510 9.948
206 2HZ LYS 28 HZ2 LYS 28 0.623 -5.439 11.240
207 3HZ LYS 28 HZ3 LYS 28 -0.864 -6.248 11.098
208 H CYS 29 HN CYS 29 -3.131 -2.631 4.910
209 HA CYS 29 HA CYS 29 -5.862 -2.928 4.103
210 1HB CYS 29 HB2 CYS 29 -3.191 -3.340 2.621
211 2HB CYS 29 HB3 CYS 29 -4.768 -3.693 1.848
212 H LYS 30 HN LYS 30 -7.041 -4.529 3.538
213 HA LYS 30 HA LYS 30 -6.024 -7.168 2.951
214 1HB LYS 30 HB3 LYS 30 -6.734 -7.201 5.348
215 2HB LYS 30 HB2 LYS 30 -8.378 -6.661 4.916
216 1HG LYS 30 HG3 LYS 30 -7.078 -9.218 3.738
217 2HG LYS 30 HG2 LYS 30 -7.783 -9.200 5.387
218 1HD LYS 30 HD2 LYS 30 -9.998 -8.584 4.567
219 2HD LYS 30 HD3 LYS 30 -9.416 -8.536 2.871
220 1HE LYS 30 HE3 LYS 30 -9.434 -11.056 4.655
221 2HE LYS 30 HE2 LYS 30 -10.621 -10.654 3.345
222 1HZ LYS 30 HZ1 LYS 30 -8.908 -12.129 2.588
223 2HZ LYS 30 HZ2 LYS 30 -8.814 -10.641 1.775
224 3HZ LYS 30 HZ3 LYS 30 -7.694 -11.014 2.997
225 H CYS 31 HN CYS 31 -6.818 -7.532 0.829
226 HA CYS 31 HA CYS 31 -8.856 -5.785 -0.227
227 1HB CYS 31 HB2 CYS 31 -6.791 -6.015 -1.432
228 2HB CYS 31 HB3 CYS 31 -6.985 -7.752 -1.682
229 H ASN 32 HN ASN 32 -10.791 -6.422 -1.119
230 HA ASN 32 HA ASN 32 -11.759 -9.191 -0.591
231 1HB ASN 32 HB2 ASN 32 -12.813 -7.523 0.970
232 2HB ASN 32 HB3 ASN 32 -13.489 -6.617 -0.418
233 1HD2 ASN 32 HD2 ASN 32 -15.170 -7.467 1.570
234 2HD2 ASN 32 HD2 ASN 32 -16.115 -8.818 0.985
235 H ARG 33 HN ARG 33 -13.986 -9.182 -2.314
236 HA ARG 33 HA ARG 33 -12.652 -8.630 -4.941
237 1HB ARG 33 HB2 ARG 33 -12.432 -11.056 -3.634
238 2HB ARG 33 HB3 ARG 33 -13.943 -11.373 -4.448
239 1HG ARG 33 HG3 ARG 33 -11.891 -12.198 -5.576
240 2HG ARG 33 HG2 ARG 33 -12.681 -11.014 -6.669
241 1HD ARG 33 HD2 ARG 33 -10.071 -10.904 -6.513
242 2HD ARG 33 HD3 ARG 33 -10.957 -9.374 -6.255
243 HE ARG 33 HE ARG 33 -10.560 -9.426 -3.882
244 1HH1 ARG 33 HH1 ARG 33 -9.124 -12.286 -5.387
245 2HH1 ARG 33 HH1 ARG 33 -8.311 -12.786 -3.929
246 1HH2 ARG 33 HH2 ARG 33 -9.519 -10.244 -1.998
247 2HH2 ARG 33 HH2 ARG 33 -8.514 -11.654 -2.115
248 H CYS 34 HN CYS 34 -13.977 -9.093 -6.810
249 HA CYS 34 HA CYS 34 -16.527 -7.814 -6.691
250 1HB CYS 34 HB2 CYS 34 -16.386 -8.590 -9.242
251 2HB CYS 34 HB3 CYS 34 -15.328 -7.307 -8.612
252 1HN NH2 35 HT1 CYS 34 -17.151 -9.758 -4.986
253 2HN NH2 35 HT2 CYS 34 -18.139 -10.986 -5.790
Start of MODEL 16
1 2H ALA 1 HN2 ALA 1 0.637 -2.389 1.848
2 H ALA 1 HN ALA 1 -0.892 -3.072 1.578
3 3H ALA 1 HN3 ALA 1 0.206 -2.909 0.277
4 HA ALA 1 HA ALA 1 0.069 -0.464 0.599
5 1HB ALA 1 HB1 ALA 1 -1.279 -1.681 -1.205
6 2HB ALA 1 HB2 ALA 1 -2.628 -1.926 -0.040
7 3HB ALA 1 HB3 ALA 1 -2.181 -0.273 -0.574
8 H SER 2 HN SER 2 -0.907 1.371 1.720
9 HA SER 2 HA SER 2 -2.301 0.710 4.194
10 1HB SER 2 HB3 SER 2 -1.405 3.110 4.821
11 2HB SER 2 HB2 SER 2 -0.290 1.718 4.786
12 HG SER 2 HG SER 2 0.173 3.841 3.561
13 H CYS 3 HN CYS 3 -3.907 2.179 4.921
14 HA CYS 3 HA CYS 3 -5.313 3.894 3.012
15 1HB CYS 3 HB2 CYS 3 -7.536 2.507 3.369
16 2HB CYS 3 HB3 CYS 3 -6.261 1.806 2.375
17 H ARG 4 HN ARG 4 -7.606 4.424 4.363
18 HA ARG 4 HA ARG 4 -6.875 5.160 7.137
19 1HB ARG 4 HB2 ARG 4 -8.547 7.018 5.261
20 2HB ARG 4 HB3 ARG 4 -8.058 7.315 6.948
21 1HG ARG 4 HG3 ARG 4 -6.292 7.232 4.445
22 2HG ARG 4 HG2 ARG 4 -6.870 8.657 5.386
23 1HD ARG 4 HD3 ARG 4 -5.490 7.826 7.385
24 2HD ARG 4 HD2 ARG 4 -4.865 6.500 6.306
25 HE ARG 4 HE ARG 4 -4.675 9.206 5.125
26 1HH1 ARG 4 HH2 ARG 4 -3.055 6.769 6.977
27 2HH1 ARG 4 HH2 ARG 4 -1.544 7.631 7.036
28 1HH2 ARG 4 HH1 ARG 4 -2.659 10.308 5.187
29 2HH2 ARG 4 HH1 ARG 4 -1.308 9.513 5.955
30 H THR 5 HN THR 5 -9.567 5.026 4.707
31 HA THR 5 HA THR 5 -11.207 3.425 6.493
32 HB THR 5 HB THR 5 -13.153 4.445 5.232
33 HG1 THR 5 HG1 THR 5 -12.552 6.548 4.291
34 1HG2 THR 5 HG2 THR 5 -13.097 6.639 6.455
35 2HG2 THR 5 HG2 THR 5 -12.434 5.336 7.499
36 3HG2 THR 5 HG2 THR 5 -11.323 6.496 6.689
37 HA PRO 6 HA PRO 6 -10.618 0.510 3.142
38 1HB PRO 6 HB2 PRO 6 -13.513 -0.287 3.007
39 2HB PRO 6 HB3 PRO 6 -12.065 -1.197 3.466
40 1HG PRO 6 HG3 PRO 6 -13.960 -0.307 5.309
41 2HG PRO 6 HG2 PRO 6 -12.206 -0.350 5.732
42 1HD PRO 6 HD3 PRO 6 -13.787 2.054 4.739
43 2HD PRO 6 HD2 PRO 6 -12.675 1.890 6.179
44 H LYS 7 HN LYS 7 -12.629 3.188 2.411
45 HA LYS 7 HA LYS 7 -13.196 2.817 -0.358
46 1HB LYS 7 HB3 LYS 7 -14.515 4.300 1.258
47 2HB LYS 7 HB2 LYS 7 -13.126 5.438 1.284
48 1HG LYS 7 HG3 LYS 7 -14.814 6.304 -0.133
49 2HG LYS 7 HG2 LYS 7 -13.511 5.771 -1.240
50 1HD LYS 7 HD3 LYS 7 -14.837 3.666 -1.722
51 2HD LYS 7 HD2 LYS 7 -16.112 4.231 -0.586
52 1HE LYS 7 HE3 LYS 7 -16.513 6.248 -2.053
53 2HE LYS 7 HE2 LYS 7 -15.268 5.634 -3.218
54 1HZ LYS 7 HZ1 LYS 7 -17.756 4.225 -2.394
55 2HZ LYS 7 HZ2 LYS 7 -17.489 5.038 -3.862
56 3HZ LYS 7 HZ3 LYS 7 -16.593 3.645 -3.487
57 H ASP 8 HN ASP 8 -10.201 3.560 1.296
58 HA ASP 8 HA ASP 8 -9.049 5.009 -0.975
59 1HB ASP 8 HB3 ASP 8 -7.879 4.375 1.807
60 2HB ASP 8 HB2 ASP 8 -7.158 5.466 0.563
61 H CYS 9 HN CYS 9 -9.421 1.669 -0.237
62 HA CYS 9 HA CYS 9 -6.729 1.075 -1.361
63 1HB CYS 9 HB3 CYS 9 -7.497 0.253 1.026
64 2HB CYS 9 HB2 CYS 9 -8.326 -1.026 0.163
65 H ALA 10 HN ALA 10 -9.579 1.542 -2.564
66 HA ALA 10 HA ALA 10 -10.274 -0.704 -4.044
67 1HB ALA 10 HB1 ALA 10 -11.007 2.258 -4.422
68 2HB ALA 10 HB2 ALA 10 -11.890 0.866 -5.153
69 3HB ALA 10 HB3 ALA 10 -11.836 1.058 -3.373
70 H ASP 11 HN ASP 11 -8.498 2.249 -5.067
71 HA ASP 11 HA ASP 11 -7.857 1.228 -7.692
72 1HB ASP 11 HB2 ASP 11 -6.853 3.793 -6.330
73 2HB ASP 11 HB3 ASP 11 -6.668 3.346 -8.072
74 HA PRO 12 HA PRO 12 -3.540 0.268 -5.708
75 1HB PRO 12 HB3 PRO 12 -4.368 -0.087 -2.767
76 2HB PRO 12 HB2 PRO 12 -2.802 0.494 -3.458
77 1HG PRO 12 HG2 PRO 12 -4.752 2.051 -2.303
78 2HG PRO 12 HG3 PRO 12 -3.739 2.708 -3.677
79 1HD PRO 12 HD2 PRO 12 -6.599 1.680 -3.716
80 2HD PRO 12 HD3 PRO 12 -5.823 3.016 -4.669
81 H CYS 13 HN CYS 13 -6.631 -1.231 -4.340
82 HA CYS 13 HA CYS 13 -5.426 -3.820 -4.481
83 1HB CYS 13 HB3 CYS 13 -7.678 -3.186 -3.059
84 2HB CYS 13 HB2 CYS 13 -8.439 -3.831 -4.491
85 H ARG 14 HN ARG 14 -7.344 -1.932 -6.870
86 HA ARG 14 HA ARG 14 -7.964 -3.858 -8.789
87 1HB ARG 14 HB3 ARG 14 -8.774 -1.422 -8.676
88 2HB ARG 14 HB2 ARG 14 -7.112 -0.908 -9.013
89 1HG ARG 14 HG3 ARG 14 -8.338 -0.553 -10.931
90 2HG ARG 14 HG2 ARG 14 -7.191 -1.896 -11.280
91 1HD ARG 14 HD2 ARG 14 -9.314 -2.391 -12.407
92 2HD ARG 14 HD3 ARG 14 -9.264 -3.510 -11.033
93 HE ARG 14 HE ARG 14 -11.134 -2.326 -10.061
94 1HH1 ARG 14 HH2 ARG 14 -9.896 -0.544 -12.716
95 2HH1 ARG 14 HH2 ARG 14 -11.375 0.334 -13.003
96 1HH2 ARG 14 HH1 ARG 14 -13.005 -1.046 -10.320
97 2HH2 ARG 14 HH1 ARG 14 -13.083 0.061 -11.656
98 H LYS 15 HN LYS 15 -4.768 -2.663 -8.034
99 HA LYS 15 HA LYS 15 -3.626 -3.499 -10.536
100 1HB LYS 15 HB2 LYS 15 -3.037 -1.396 -9.282
101 2HB LYS 15 HB3 LYS 15 -2.339 -2.368 -7.960
102 1HG LYS 15 HG3 LYS 15 -0.595 -3.239 -9.575
103 2HG LYS 15 HG2 LYS 15 -1.369 -2.300 -10.910
104 1HD LYS 15 HD3 LYS 15 -0.944 -0.193 -9.546
105 2HD LYS 15 HD2 LYS 15 -0.140 -1.233 -8.312
106 1HE LYS 15 HE3 LYS 15 1.622 -1.878 -9.972
107 2HE LYS 15 HE2 LYS 15 0.801 -0.883 -11.244
108 1HZ LYS 15 HZ1 LYS 15 1.917 0.125 -8.677
109 2HZ LYS 15 HZ2 LYS 15 2.616 0.280 -10.218
110 3HZ LYS 15 HZ3 LYS 15 1.146 1.056 -9.870
111 H GLU 16 HN GLU 16 -4.105 -4.833 -7.288
112 HA GLU 16 HA GLU 16 -2.248 -7.075 -7.757
113 1HB GLU 16 HB3 GLU 16 -2.217 -7.635 -5.364
114 2HB GLU 16 HB2 GLU 16 -1.722 -5.940 -5.632
115 1HG GLU 16 HG2 GLU 16 -4.092 -5.268 -5.046
116 2HG GLU 16 HG3 GLU 16 -4.445 -6.956 -4.539
117 H THR 17 HN THR 17 -5.810 -6.675 -6.820
118 HA THR 17 HA THR 17 -6.104 -9.559 -7.408
119 HB THR 17 HB THR 17 -8.391 -9.361 -6.562
120 HG1 THR 17 HG1 THR 17 -8.468 -7.146 -5.290
121 1HG2 THR 17 HG2 THR 17 -6.570 -9.909 -5.007
122 2HG2 THR 17 HG2 THR 17 -6.223 -8.171 -4.728
123 3HG2 THR 17 HG2 THR 17 -7.781 -8.870 -4.200
124 H GLY 18 HN GLY 18 -7.338 -6.478 -8.241
125 1HA GLY 18 HA1 GLY 18 -7.856 -5.584 -10.348
126 2HA GLY 18 HA2 GLY 18 -8.358 -7.178 -10.928
127 H CYS 19 HN CYS 19 -9.430 -6.817 -7.732
128 HA CYS 19 HA CYS 19 -12.067 -5.723 -8.635
129 1HB CYS 19 HB2 CYS 19 -11.380 -7.795 -6.511
130 2HB CYS 19 HB3 CYS 19 -13.001 -7.059 -6.683
131 HA PRO 20 HA PRO 20 -10.893 -2.506 -5.745
132 1HB PRO 20 HB2 PRO 20 -13.104 -0.868 -6.201
133 2HB PRO 20 HB3 PRO 20 -11.790 -1.082 -7.409
134 1HG PRO 20 HG2 PRO 20 -14.508 -2.511 -7.083
135 2HG PRO 20 HG3 PRO 20 -13.904 -1.669 -8.569
136 1HD PRO 20 HD3 PRO 20 -13.641 -4.387 -8.223
137 2HD PRO 20 HD2 PRO 20 -12.299 -3.435 -8.974
138 H TYR 21 HN TYR 21 -11.829 -4.820 -4.524
139 HA TYR 21 HA TYR 21 -13.959 -4.103 -2.557
140 1HB TYR 21 HB3 TYR 21 -13.181 -6.807 -3.914
141 2HB TYR 21 HB2 TYR 21 -14.102 -6.766 -2.425
142 HD1 TYR 21 HD1 TYR 21 -16.411 -6.560 -2.414
143 HD2 TYR 21 HD2 TYR 21 -14.190 -5.281 -5.845
144 HE1 TYR 21 HE1 TYR 21 -18.482 -6.155 -3.553
145 HE2 TYR 21 HE2 TYR 21 -16.316 -4.820 -7.057
146 HH TYR 21 HH TYR 21 -19.455 -5.144 -5.420
147 H GLY 22 HN GLY 22 -12.932 -3.465 -0.643
148 1HA GLY 22 HA1 GLY 22 -11.205 -5.470 0.590
149 2HA GLY 22 HA2 GLY 22 -10.399 -3.874 0.165
150 H LYS 23 HN LYS 23 -10.299 -4.826 2.678
151 HA LYS 23 HA LYS 23 -12.088 -3.087 4.249
152 1HB LYS 23 HB2 LYS 23 -12.565 -5.539 4.378
153 2HB LYS 23 HB3 LYS 23 -10.907 -5.851 5.002
154 1HG LYS 23 HG2 LYS 23 -11.495 -4.646 7.096
155 2HG LYS 23 HG3 LYS 23 -13.084 -4.161 6.404
156 1HD LYS 23 HD2 LYS 23 -13.794 -6.509 6.184
157 2HD LYS 23 HD3 LYS 23 -12.168 -7.089 6.666
158 1HE LYS 23 HE3 LYS 23 -13.717 -7.409 8.513
159 2HE LYS 23 HE2 LYS 23 -12.536 -6.122 8.981
160 1HZ LYS 23 HZ1 LYS 23 -14.195 -4.481 8.389
161 2HZ LYS 23 HZ2 LYS 23 -15.297 -5.699 7.958
162 3HZ LYS 23 HZ3 LYS 23 -14.779 -5.555 9.568
163 H CYS 24 HN CYS 24 -11.153 -1.927 5.743
164 HA CYS 24 HA CYS 24 -8.170 -1.908 5.939
165 1HB CYS 24 HB2 CYS 24 -9.165 -0.107 4.542
166 2HB CYS 24 HB3 CYS 24 -10.087 0.463 5.939
167 H MET 25 HN MET 25 -7.465 -2.374 7.897
168 HA MET 25 HA MET 25 -8.917 -1.454 10.294
169 1HB MET 25 HB2 MET 25 -7.824 -4.347 10.009
170 2HB MET 25 HB3 MET 25 -8.548 -3.601 11.467
171 1HG MET 25 HG2 MET 25 -10.760 -3.415 10.037
172 2HG MET 25 HG3 MET 25 -9.933 -4.465 8.858
173 1HE MET 25 HE1 MET 25 -10.223 -4.180 12.858
174 2HE MET 25 HE2 MET 25 -11.834 -3.993 12.082
175 3HE MET 25 HE3 MET 25 -11.490 -5.420 13.115
176 H ASN 26 HN ASN 26 -7.553 -0.411 11.562
177 HA ASN 26 HA ASN 26 -5.755 0.631 12.264
178 1HB ASN 26 HB3 ASN 26 -5.252 -1.984 13.005
179 2HB ASN 26 HB2 ASN 26 -3.810 -1.736 12.000
180 1HD2 ASN 26 HD2 ASN 26 -2.871 0.732 12.627
181 2HD2 ASN 26 HD2 ASN 26 -2.784 1.016 14.355
182 H ARG 27 HN ARG 27 -6.114 0.925 9.412
183 HA ARG 27 HA ARG 27 -5.215 2.188 7.797
184 1HB ARG 27 HB2 ARG 27 -2.455 1.979 8.888
185 2HB ARG 27 HB3 ARG 27 -3.006 3.105 7.609
186 1HG ARG 27 HG2 ARG 27 -4.429 4.331 9.232
187 2HG ARG 27 HG3 ARG 27 -3.928 3.219 10.540
188 1HD ARG 27 HD3 ARG 27 -2.111 5.262 9.136
189 2HD ARG 27 HD2 ARG 27 -2.736 5.194 10.856
190 HE ARG 27 HE ARG 27 -1.274 2.760 10.234
191 1HH1 ARG 27 HH1 ARG 27 -0.741 6.094 10.955
192 2HH1 ARG 27 HH1 ARG 27 0.653 5.769 11.961
193 1HH2 ARG 27 HH2 ARG 27 0.626 2.382 11.426
194 2HH2 ARG 27 HH2 ARG 27 1.539 3.739 12.004
195 H LYS 28 HN LYS 28 -4.770 -1.059 8.240
196 HA LYS 28 HA LYS 28 -3.072 -1.462 5.844
197 1HB LYS 28 HB2 LYS 28 -3.709 -3.372 8.211
198 2HB LYS 28 HB3 LYS 28 -2.837 -3.870 6.754
199 1HG LYS 28 HG3 LYS 28 -1.867 -1.759 8.746
200 2HG LYS 28 HG2 LYS 28 -1.318 -3.453 8.578
201 1HD LYS 28 HD3 LYS 28 -0.925 -1.136 6.567
202 2HD LYS 28 HD2 LYS 28 0.310 -1.988 7.546
203 1HE LYS 28 HE2 LYS 28 -0.099 -4.100 6.204
204 2HE LYS 28 HE3 LYS 28 -1.316 -3.211 5.197
205 1HZ LYS 28 HZ1 LYS 28 0.809 -3.292 4.145
206 2HZ LYS 28 HZ2 LYS 28 0.397 -1.690 4.524
207 3HZ LYS 28 HZ3 LYS 28 1.554 -2.511 5.456
208 H CYS 29 HN CYS 29 -3.678 -2.626 4.056
209 HA CYS 29 HA CYS 29 -6.513 -3.135 3.760
210 1HB CYS 29 HB2 CYS 29 -4.341 -3.509 1.633
211 2HB CYS 29 HB3 CYS 29 -6.121 -3.466 1.407
212 H LYS 30 HN LYS 30 -7.532 -4.922 3.798
213 HA LYS 30 HA LYS 30 -6.312 -7.552 3.241
214 1HB LYS 30 HB2 LYS 30 -8.853 -6.872 4.899
215 2HB LYS 30 HB3 LYS 30 -8.174 -8.519 4.593
216 1HG LYS 30 HG2 LYS 30 -6.113 -7.788 5.893
217 2HG LYS 30 HG3 LYS 30 -6.966 -6.279 6.345
218 1HD LYS 30 HD2 LYS 30 -7.908 -9.172 6.909
219 2HD LYS 30 HD3 LYS 30 -7.111 -8.091 8.101
220 1HE LYS 30 HE2 LYS 30 -9.072 -6.519 7.994
221 2HE LYS 30 HE3 LYS 30 -9.879 -7.591 6.779
222 1HZ LYS 30 HZ1 LYS 30 -9.116 -8.364 9.540
223 2HZ LYS 30 HZ2 LYS 30 -10.676 -7.989 8.980
224 3HZ LYS 30 HZ3 LYS 30 -9.866 -9.362 8.387
225 H CYS 31 HN CYS 31 -7.075 -8.156 1.058
226 HA CYS 31 HA CYS 31 -9.258 -6.546 -0.008
227 1HB CYS 31 HB2 CYS 31 -7.061 -6.532 -0.965
228 2HB CYS 31 HB3 CYS 31 -7.222 -8.163 -1.622
229 H ASN 32 HN ASN 32 -11.042 -7.326 -1.214
230 HA ASN 32 HA ASN 32 -11.874 -10.133 -0.724
231 1HB ASN 32 HB3 ASN 32 -13.870 -7.715 -0.773
232 2HB ASN 32 HB2 ASN 32 -14.180 -9.414 -0.275
233 1HD2 ASN 32 HD2 ASN 32 -12.447 -10.031 1.687
234 2HD2 ASN 32 HD2 ASN 32 -12.477 -8.773 2.903
235 H ARG 33 HN ARG 33 -14.109 -10.232 -2.634
236 HA ARG 33 HA ARG 33 -12.690 -9.436 -5.084
237 1HB ARG 33 HB2 ARG 33 -12.205 -11.856 -3.891
238 2HB ARG 33 HB3 ARG 33 -13.637 -12.348 -4.760
239 1HG ARG 33 HG2 ARG 33 -11.503 -12.861 -5.871
240 2HG ARG 33 HG3 ARG 33 -12.407 -11.738 -6.939
241 1HD ARG 33 HD3 ARG 33 -9.826 -11.350 -6.703
242 2HD ARG 33 HD2 ARG 33 -10.873 -9.925 -6.454
243 HE ARG 33 HE ARG 33 -10.468 -9.908 -4.100
244 1HH1 ARG 33 HH1 ARG 33 -8.913 -12.719 -5.488
245 2HH1 ARG 33 HH1 ARG 33 -7.892 -13.010 -4.108
246 1HH2 ARG 33 HH2 ARG 33 -9.353 -10.341 -2.349
247 2HH2 ARG 33 HH2 ARG 33 -8.145 -11.595 -2.286
248 H CYS 34 HN CYS 34 -13.720 -9.505 -6.996
249 HA CYS 34 HA CYS 34 -16.652 -9.618 -7.039
250 1HB CYS 34 HB2 CYS 34 -16.578 -8.095 -8.909
251 2HB CYS 34 HB3 CYS 34 -15.771 -7.384 -7.502
252 1HN NH2 35 HT1 CYS 34 -14.744 -11.987 -7.261
253 2HN NH2 35 HT2 CYS 34 -15.063 -12.603 -8.872
Start of MODEL 17
1 2H ALA 1 HN2 ALA 1 -0.836 -4.515 1.276
2 H ALA 1 HN ALA 1 -0.933 -3.985 2.906
3 3H ALA 1 HN3 ALA 1 -2.339 -4.121 1.999
4 HA ALA 1 HA ALA 1 -0.120 -2.205 1.484
5 1HB ALA 1 HB1 ALA 1 -2.921 -2.418 0.115
6 2HB ALA 1 HB2 ALA 1 -1.665 -1.195 -0.274
7 3HB ALA 1 HB3 ALA 1 -1.366 -2.912 -0.633
8 H SER 2 HN SER 2 -0.975 0.213 1.833
9 HA SER 2 HA SER 2 -2.413 0.221 4.391
10 1HB SER 2 HB2 SER 2 -0.494 2.317 3.230
11 2HB SER 2 HB3 SER 2 -1.271 2.343 4.867
12 HG SER 2 HG SER 2 0.669 1.477 5.165
13 H CYS 3 HN CYS 3 -4.041 1.704 4.847
14 HA CYS 3 HA CYS 3 -5.177 3.443 2.762
15 1HB CYS 3 HB2 CYS 3 -7.539 2.385 3.178
16 2HB CYS 3 HB3 CYS 3 -6.327 1.404 2.358
17 H ARG 4 HN ARG 4 -7.456 4.353 4.084
18 HA ARG 4 HA ARG 4 -6.730 5.195 6.774
19 1HB ARG 4 HB3 ARG 4 -7.930 7.082 4.581
20 2HB ARG 4 HB2 ARG 4 -7.615 7.398 6.300
21 1HG ARG 4 HG3 ARG 4 -5.907 8.467 5.233
22 2HG ARG 4 HG2 ARG 4 -5.144 6.915 5.749
23 1HD ARG 4 HD3 ARG 4 -5.326 6.155 3.241
24 2HD ARG 4 HD2 ARG 4 -6.008 7.776 2.899
25 HE ARG 4 HE ARG 4 -3.846 8.683 3.049
26 1HH1 ARG 4 HH2 ARG 4 -3.612 5.511 4.662
27 2HH1 ARG 4 HH2 ARG 4 -1.880 5.622 4.717
28 1HH2 ARG 4 HH1 ARG 4 -1.668 8.598 3.030
29 2HH2 ARG 4 HH1 ARG 4 -0.853 7.310 3.863
30 H THR 5 HN THR 5 -9.291 5.446 4.231
31 HA THR 5 HA THR 5 -11.231 4.065 5.948
32 HB THR 5 HB THR 5 -12.979 5.131 4.522
33 HG1 THR 5 HG1 THR 5 -12.380 6.894 3.303
34 1HG2 THR 5 HG2 THR 5 -12.793 7.390 5.590
35 2HG2 THR 5 HG2 THR 5 -12.301 6.120 6.765
36 3HG2 THR 5 HG2 THR 5 -11.054 7.123 5.934
37 HA PRO 6 HA PRO 6 -10.598 0.812 3.038
38 1HB PRO 6 HB2 PRO 6 -13.575 0.176 2.908
39 2HB PRO 6 HB3 PRO 6 -12.199 -0.844 3.395
40 1HG PRO 6 HG2 PRO 6 -13.937 0.288 5.236
41 2HG PRO 6 HG3 PRO 6 -12.155 0.247 5.567
42 1HD PRO 6 HD3 PRO 6 -13.728 2.620 4.474
43 2HD PRO 6 HD2 PRO 6 -12.528 2.471 5.855
44 H LYS 7 HN LYS 7 -12.459 3.421 1.683
45 HA LYS 7 HA LYS 7 -12.693 2.406 -0.992
46 1HB LYS 7 HB3 LYS 7 -12.801 5.371 -0.195
47 2HB LYS 7 HB2 LYS 7 -13.487 4.550 -1.628
48 1HG LYS 7 HG3 LYS 7 -15.412 4.769 -0.442
49 2HG LYS 7 HG2 LYS 7 -14.893 3.171 0.179
50 1HD LYS 7 HD3 LYS 7 -15.672 4.541 2.043
51 2HD LYS 7 HD2 LYS 7 -13.896 4.447 2.223
52 1HE LYS 7 HE3 LYS 7 -13.747 6.781 1.120
53 2HE LYS 7 HE2 LYS 7 -15.555 6.821 1.120
54 1HZ LYS 7 HZ1 LYS 7 -13.785 6.518 3.498
55 2HZ LYS 7 HZ2 LYS 7 -14.605 7.926 3.016
56 3HZ LYS 7 HZ3 LYS 7 -15.484 6.562 3.518
57 H ASP 8 HN ASP 8 -10.040 3.779 0.880
58 HA ASP 8 HA ASP 8 -8.483 4.727 -1.344
59 1HB ASP 8 HB3 ASP 8 -7.770 4.203 1.614
60 2HB ASP 8 HB2 ASP 8 -6.670 4.977 0.414
61 H CYS 9 HN CYS 9 -9.281 1.517 -0.347
62 HA CYS 9 HA CYS 9 -6.656 0.483 -1.229
63 1HB CYS 9 HB2 CYS 9 -8.166 -0.647 0.887
64 2HB CYS 9 HB3 CYS 9 -8.789 -1.533 -0.481
65 H ALA 10 HN ALA 10 -9.640 1.468 -2.617
66 HA ALA 10 HA ALA 10 -10.072 -0.455 -4.546
67 1HB ALA 10 HB1 ALA 10 -11.739 1.241 -3.845
68 2HB ALA 10 HB2 ALA 10 -10.755 2.546 -4.579
69 3HB ALA 10 HB3 ALA 10 -11.504 1.278 -5.630
70 H ASP 11 HN ASP 11 -7.789 2.238 -4.551
71 HA ASP 11 HA ASP 11 -7.059 1.998 -7.325
72 1HB ASP 11 HB2 ASP 11 -5.675 3.605 -5.101
73 2HB ASP 11 HB3 ASP 11 -5.433 3.781 -6.879
74 HA PRO 12 HA PRO 12 -3.242 -0.558 -5.850
75 1HB PRO 12 HB3 PRO 12 -3.316 -1.596 -3.145
76 2HB PRO 12 HB2 PRO 12 -2.423 -0.126 -3.675
77 1HG PRO 12 HG3 PRO 12 -5.184 -0.435 -2.482
78 2HG PRO 12 HG2 PRO 12 -3.924 0.756 -1.981
79 1HD PRO 12 HD3 PRO 12 -6.009 1.486 -3.579
80 2HD PRO 12 HD2 PRO 12 -4.342 2.116 -3.919
81 H CYS 13 HN CYS 13 -6.491 -1.434 -4.435
82 HA CYS 13 HA CYS 13 -6.129 -4.213 -5.080
83 1HB CYS 13 HB2 CYS 13 -7.354 -3.502 -3.043
84 2HB CYS 13 HB3 CYS 13 -8.717 -3.028 -4.086
85 H ARG 14 HN ARG 14 -7.334 -1.481 -6.973
86 HA ARG 14 HA ARG 14 -8.488 -3.090 -9.095
87 1HB ARG 14 HB3 ARG 14 -9.155 -0.684 -8.991
88 2HB ARG 14 HB2 ARG 14 -7.449 -0.194 -8.906
89 1HG ARG 14 HG2 ARG 14 -8.328 0.475 -10.987
90 2HG ARG 14 HG3 ARG 14 -7.036 -0.743 -11.219
91 1HD ARG 14 HD3 ARG 14 -8.531 -1.254 -12.865
92 2HD ARG 14 HD2 ARG 14 -8.975 -2.514 -11.651
93 HE ARG 14 HE ARG 14 -10.819 -0.762 -10.917
94 1HH1 ARG 14 HH1 ARG 14 -9.843 -1.427 -14.166
95 2HH1 ARG 14 HH1 ARG 14 -11.296 -0.792 -14.901
96 1HH2 ARG 14 HH2 ARG 14 -12.722 -0.029 -11.848
97 2HH2 ARG 14 HH2 ARG 14 -12.927 -0.030 -13.577
98 H LYS 15 HN LYS 15 -5.266 -2.565 -8.080
99 HA LYS 15 HA LYS 15 -4.184 -3.340 -10.670
100 1HB LYS 15 HB2 LYS 15 -3.408 -1.324 -9.277
101 2HB LYS 15 HB3 LYS 15 -2.611 -2.468 -8.174
102 1HG LYS 15 HG3 LYS 15 -1.009 -1.599 -9.752
103 2HG LYS 15 HG2 LYS 15 -1.291 -3.300 -10.288
104 1HD LYS 15 HD3 LYS 15 -2.846 -2.364 -12.084
105 2HD LYS 15 HD2 LYS 15 -2.608 -0.726 -11.359
106 1HE LYS 15 HE3 LYS 15 -0.207 -0.766 -12.006
107 2HE LYS 15 HE2 LYS 15 -0.413 -2.420 -12.719
108 1HZ LYS 15 HZ1 LYS 15 -1.869 0.042 -13.537
109 2HZ LYS 15 HZ2 LYS 15 -0.581 -0.697 -14.363
110 3HZ LYS 15 HZ3 LYS 15 -2.065 -1.508 -14.205
111 H GLU 16 HN GLU 16 -4.146 -4.463 -7.197
112 HA GLU 16 HA GLU 16 -2.614 -6.849 -7.913
113 1HB GLU 16 HB2 GLU 16 -2.401 -7.427 -5.513
114 2HB GLU 16 HB3 GLU 16 -1.893 -5.748 -5.796
115 1HG GLU 16 HG2 GLU 16 -4.351 -5.135 -5.176
116 2HG GLU 16 HG3 GLU 16 -4.521 -6.800 -4.546
117 H THR 17 HN THR 17 -6.058 -6.326 -6.902
118 HA THR 17 HA THR 17 -6.430 -9.196 -7.591
119 HB THR 17 HB THR 17 -8.249 -9.603 -6.397
120 HG1 THR 17 HG1 THR 17 -9.435 -8.068 -5.201
121 1HG2 THR 17 HG2 THR 17 -6.679 -7.662 -4.567
122 2HG2 THR 17 HG2 THR 17 -7.593 -9.118 -4.070
123 3HG2 THR 17 HG2 THR 17 -6.085 -9.298 -5.038
124 H GLY 18 HN GLY 18 -7.663 -5.889 -8.102
125 1HA GLY 18 HA1 GLY 18 -7.972 -5.180 -10.325
126 2HA GLY 18 HA2 GLY 18 -8.863 -6.664 -10.694
127 H CYS 19 HN CYS 19 -9.890 -6.147 -7.655
128 HA CYS 19 HA CYS 19 -11.978 -4.195 -8.461
129 1HB CYS 19 HB3 CYS 19 -13.374 -6.387 -7.083
130 2HB CYS 19 HB2 CYS 19 -13.624 -5.670 -8.696
131 HA PRO 20 HA PRO 20 -11.583 -2.688 -4.484
132 1HB PRO 20 HB2 PRO 20 -13.708 -0.994 -4.402
133 2HB PRO 20 HB3 PRO 20 -12.592 -0.892 -5.784
134 1HG PRO 20 HG3 PRO 20 -15.238 -2.435 -5.669
135 2HG PRO 20 HG2 PRO 20 -14.737 -1.166 -6.873
136 1HD PRO 20 HD2 PRO 20 -14.358 -3.893 -7.283
137 2HD PRO 20 HD3 PRO 20 -13.202 -2.642 -7.926
138 H TYR 21 HN TYR 21 -12.250 -5.350 -3.871
139 HA TYR 21 HA TYR 21 -14.449 -5.094 -1.851
140 1HB TYR 21 HB3 TYR 21 -13.245 -7.656 -3.211
141 2HB TYR 21 HB2 TYR 21 -14.032 -7.670 -1.618
142 HD1 TYR 21 HD1 TYR 21 -14.829 -6.180 -5.025
143 HD2 TYR 21 HD2 TYR 21 -16.154 -8.435 -1.589
144 HE1 TYR 21 HE1 TYR 21 -17.025 -6.587 -6.099
145 HE2 TYR 21 HE2 TYR 21 -18.239 -8.893 -2.667
146 HH TYR 21 HH TYR 21 -19.483 -8.692 -4.580
147 H GLY 22 HN GLY 22 -12.875 -3.606 -0.580
148 1HA GLY 22 HA1 GLY 22 -11.058 -5.381 1.020
149 2HA GLY 22 HA2 GLY 22 -10.473 -3.792 0.402
150 H LYS 23 HN LYS 23 -10.564 -4.784 3.175
151 HA LYS 23 HA LYS 23 -12.347 -2.788 4.399
152 1HB LYS 23 HB2 LYS 23 -12.844 -5.195 4.935
153 2HB LYS 23 HB3 LYS 23 -11.203 -5.402 5.600
154 1HG LYS 23 HG2 LYS 23 -12.707 -5.175 7.416
155 2HG LYS 23 HG3 LYS 23 -11.880 -3.590 7.385
156 1HD LYS 23 HD3 LYS 23 -13.870 -2.586 6.244
157 2HD LYS 23 HD2 LYS 23 -14.634 -4.201 6.111
158 1HE LYS 23 HE2 LYS 23 -14.010 -2.819 8.816
159 2HE LYS 23 HE3 LYS 23 -15.602 -2.751 7.959
160 1HZ LYS 23 HZ1 LYS 23 -15.559 -4.453 9.626
161 2HZ LYS 23 HZ2 LYS 23 -15.732 -5.138 8.081
162 3HZ LYS 23 HZ3 LYS 23 -14.238 -5.223 8.884
163 H CYS 24 HN CYS 24 -11.408 -1.438 5.813
164 HA CYS 24 HA CYS 24 -8.440 -1.429 6.072
165 1HB CYS 24 HB3 CYS 24 -9.885 0.617 5.106
166 2HB CYS 24 HB2 CYS 24 -10.101 1.046 6.794
167 H MET 25 HN MET 25 -7.579 -1.985 7.968
168 HA MET 25 HA MET 25 -9.083 -1.423 10.486
169 1HB MET 25 HB3 MET 25 -7.639 -4.068 9.792
170 2HB MET 25 HB2 MET 25 -8.299 -3.664 11.418
171 1HG MET 25 HG2 MET 25 -10.640 -3.656 10.414
172 2HG MET 25 HG3 MET 25 -9.924 -4.210 8.876
173 1HE MET 25 HE1 MET 25 -8.318 -7.685 9.909
174 2HE MET 25 HE2 MET 25 -8.243 -6.270 8.796
175 3HE MET 25 HE3 MET 25 -7.468 -6.192 10.417
176 H ASN 26 HN ASN 26 -7.820 -0.066 11.578
177 HA ASN 26 HA ASN 26 -6.070 1.073 12.314
178 1HB ASN 26 HB3 ASN 26 -5.590 -1.475 13.248
179 2HB ASN 26 HB2 ASN 26 -4.144 -1.341 12.231
180 1HD2 ASN 26 HD2 ASN 26 -2.891 0.889 12.766
181 2HD2 ASN 26 HD2 ASN 26 -2.806 1.216 14.495
182 H ARG 27 HN ARG 27 -6.332 1.301 9.505
183 HA ARG 27 HA ARG 27 -5.479 2.323 7.769
184 1HB ARG 27 HB3 ARG 27 -2.799 2.480 9.212
185 2HB ARG 27 HB2 ARG 27 -3.125 3.189 7.604
186 1HG ARG 27 HG2 ARG 27 -3.966 5.037 8.435
187 2HG ARG 27 HG3 ARG 27 -5.240 4.137 9.311
188 1HD ARG 27 HD2 ARG 27 -3.974 5.567 10.888
189 2HD ARG 27 HD3 ARG 27 -3.755 3.795 11.243
190 HE ARG 27 HE ARG 27 -1.706 4.945 9.412
191 1HH1 ARG 27 HH1 ARG 27 -2.501 4.725 12.825
192 2HH1 ARG 27 HH1 ARG 27 -0.876 4.341 13.289
193 1HH2 ARG 27 HH2 ARG 27 0.367 4.381 10.106
194 2HH2 ARG 27 HH2 ARG 27 0.734 4.309 11.800
195 H LYS 28 HN LYS 28 -4.984 -0.809 8.458
196 HA LYS 28 HA LYS 28 -3.208 -1.447 6.201
197 1HB LYS 28 HB3 LYS 28 -2.876 -2.207 8.680
198 2HB LYS 28 HB2 LYS 28 -4.252 -3.304 8.435
199 1HG LYS 28 HG3 LYS 28 -2.482 -4.640 8.195
200 2HG LYS 28 HG2 LYS 28 -2.826 -4.363 6.469
201 1HD LYS 28 HD2 LYS 28 -0.760 -2.700 8.112
202 2HD LYS 28 HD3 LYS 28 -0.358 -4.329 7.507
203 1HE LYS 28 HE3 LYS 28 -1.194 -2.040 5.621
204 2HE LYS 28 HE2 LYS 28 0.502 -2.514 6.010
205 1HZ LYS 28 HZ1 LYS 28 -0.279 -3.558 3.995
206 2HZ LYS 28 HZ2 LYS 28 0.055 -4.724 5.184
207 3HZ LYS 28 HZ3 LYS 28 -1.553 -4.314 4.823
208 H CYS 29 HN CYS 29 -3.867 -2.524 4.351
209 HA CYS 29 HA CYS 29 -6.713 -3.219 4.083
210 1HB CYS 29 HB2 CYS 29 -4.486 -3.456 1.922
211 2HB CYS 29 HB3 CYS 29 -6.256 -3.696 1.709
212 H LYS 30 HN LYS 30 -7.496 -5.187 4.039
213 HA LYS 30 HA LYS 30 -5.884 -7.425 3.021
214 1HB LYS 30 HB3 LYS 30 -7.302 -8.997 4.293
215 2HB LYS 30 HB2 LYS 30 -6.334 -7.923 5.353
216 1HG LYS 30 HG3 LYS 30 -8.361 -6.450 5.716
217 2HG LYS 30 HG2 LYS 30 -9.355 -7.677 4.860
218 1HD LYS 30 HD2 LYS 30 -7.625 -8.135 7.374
219 2HD LYS 30 HD3 LYS 30 -9.405 -7.899 7.372
220 1HE LYS 30 HE3 LYS 30 -9.717 -10.032 6.097
221 2HE LYS 30 HE2 LYS 30 -7.925 -10.302 6.101
222 1HZ LYS 30 HZ1 LYS 30 -9.658 -10.055 8.498
223 2HZ LYS 30 HZ2 LYS 30 -9.010 -11.486 7.852
224 3HZ LYS 30 HZ3 LYS 30 -7.977 -10.301 8.494
225 H CYS 31 HN CYS 31 -6.773 -8.045 0.990
226 HA CYS 31 HA CYS 31 -9.378 -6.848 0.272
227 1HB CYS 31 HB2 CYS 31 -7.142 -5.823 -0.785
228 2HB CYS 31 HB3 CYS 31 -7.230 -7.224 -1.867
229 H ASN 32 HN ASN 32 -10.398 -7.812 -1.653
230 HA ASN 32 HA ASN 32 -10.121 -10.742 -1.816
231 1HB ASN 32 HB2 ASN 32 -11.850 -10.106 -0.063
232 2HB ASN 32 HB3 ASN 32 -12.746 -9.137 -1.284
233 1HD2 ASN 32 HD2 ASN 32 -14.633 -10.646 -0.711
234 2HD2 ASN 32 HD2 ASN 32 -14.657 -12.091 -1.706
235 H ARG 33 HN ARG 33 -12.008 -11.265 -3.595
236 HA ARG 33 HA ARG 33 -11.332 -9.809 -6.089
237 1HB ARG 33 HB2 ARG 33 -11.889 -12.105 -7.155
238 2HB ARG 33 HB3 ARG 33 -10.514 -12.005 -6.077
239 1HG ARG 33 HG2 ARG 33 -11.451 -14.051 -5.643
240 2HG ARG 33 HG3 ARG 33 -11.592 -13.079 -4.172
241 1HD ARG 33 HD2 ARG 33 -13.947 -14.029 -5.995
242 2HD ARG 33 HD3 ARG 33 -13.388 -14.655 -4.399
243 HE ARG 33 HE ARG 33 -14.128 -11.749 -4.359
244 1HH1 ARG 33 HH1 ARG 33 -15.435 -15.043 -3.927
245 2HH1 ARG 33 HH1 ARG 33 -16.940 -14.389 -3.369
246 1HH2 ARG 33 HH2 ARG 33 -16.030 -11.108 -3.669
247 2HH2 ARG 33 HH2 ARG 33 -17.293 -12.239 -3.226
248 H CYS 34 HN CYS 34 -13.249 -9.828 -7.760
249 HA CYS 34 HA CYS 34 -15.796 -9.338 -6.383
250 1HB CYS 34 HB3 CYS 34 -16.418 -8.424 -8.685
251 2HB CYS 34 HB2 CYS 34 -15.302 -7.494 -7.671
252 1HN NH2 35 HT1 CYS 34 -15.750 -11.967 -6.051
253 2HN NH2 35 HT2 CYS 34 -16.529 -12.775 -7.377
Start of MODEL 18
1 2H ALA 1 HN2 ALA 1 -0.788 -3.379 2.394
2 H ALA 1 HN ALA 1 -2.145 -3.521 1.411
3 3H ALA 1 HN3 ALA 1 -0.590 -3.615 0.710
4 HA ALA 1 HA ALA 1 -0.181 -1.309 1.217
5 1HB ALA 1 HB1 ALA 1 -1.989 -0.254 -0.259
6 2HB ALA 1 HB2 ALA 1 -1.484 -1.836 -0.904
7 3HB ALA 1 HB3 ALA 1 -3.033 -1.694 -0.001
8 H SER 2 HN SER 2 -1.298 0.904 1.952
9 HA SER 2 HA SER 2 -2.842 0.412 4.398
10 1HB SER 2 HB3 SER 2 -0.452 2.209 3.884
11 2HB SER 2 HB2 SER 2 -1.687 2.824 5.026
12 HG SER 2 HG SER 2 -1.442 1.134 6.316
13 H CYS 3 HN CYS 3 -4.198 2.081 5.162
14 HA CYS 3 HA CYS 3 -5.346 3.951 3.210
15 1HB CYS 3 HB3 CYS 3 -7.761 2.937 3.847
16 2HB CYS 3 HB2 CYS 3 -6.789 2.210 2.602
17 H ARG 4 HN ARG 4 -7.307 5.011 4.239
18 HA ARG 4 HA ARG 4 -6.891 5.651 7.116
19 1HB ARG 4 HB2 ARG 4 -8.359 7.389 5.004
20 2HB ARG 4 HB3 ARG 4 -8.112 7.791 6.728
21 1HG ARG 4 HG3 ARG 4 -5.937 7.585 4.580
22 2HG ARG 4 HG2 ARG 4 -6.756 9.045 5.225
23 1HD ARG 4 HD2 ARG 4 -4.884 9.217 6.560
24 2HD ARG 4 HD3 ARG 4 -5.866 8.150 7.619
25 HE ARG 4 HE ARG 4 -4.311 6.393 7.189
26 1HH1 ARG 4 HH1 ARG 4 -3.942 8.719 4.578
27 2HH1 ARG 4 HH1 ARG 4 -2.383 8.092 4.123
28 1HH2 ARG 4 HH2 ARG 4 -2.459 5.575 6.507
29 2HH2 ARG 4 HH2 ARG 4 -1.536 6.337 5.235
30 H THR 5 HN THR 5 -9.309 5.266 4.481
31 HA THR 5 HA THR 5 -11.188 3.883 6.240
32 HB THR 5 HB THR 5 -13.070 4.905 4.915
33 HG1 THR 5 HG1 THR 5 -12.429 6.962 3.917
34 1HG2 THR 5 HG2 THR 5 -13.015 7.146 6.037
35 2HG2 THR 5 HG2 THR 5 -12.391 5.881 7.150
36 3HG2 THR 5 HG2 THR 5 -11.246 6.984 6.308
37 HA PRO 6 HA PRO 6 -10.528 0.860 3.050
38 1HB PRO 6 HB2 PRO 6 -13.468 0.142 2.808
39 2HB PRO 6 HB3 PRO 6 -12.060 -0.843 3.295
40 1HG PRO 6 HG2 PRO 6 -13.935 0.094 5.114
41 2HG PRO 6 HG3 PRO 6 -12.185 0.013 5.540
42 1HD PRO 6 HD3 PRO 6 -13.719 2.478 4.624
43 2HD PRO 6 HD2 PRO 6 -12.548 2.231 6.011
44 H LYS 7 HN LYS 7 -12.617 3.445 2.144
45 HA LYS 7 HA LYS 7 -13.044 3.018 -0.611
46 1HB LYS 7 HB3 LYS 7 -13.086 5.623 1.056
47 2HB LYS 7 HB2 LYS 7 -13.678 5.439 -0.628
48 1HG LYS 7 HG2 LYS 7 -15.554 5.480 0.672
49 2HG LYS 7 HG3 LYS 7 -15.400 3.771 0.156
50 1HD LYS 7 HD2 LYS 7 -14.737 3.089 2.395
51 2HD LYS 7 HD3 LYS 7 -14.397 4.788 2.900
52 1HE LYS 7 HE3 LYS 7 -17.215 3.734 2.212
53 2HE LYS 7 HE2 LYS 7 -16.519 3.826 3.885
54 1HZ LYS 7 HZ1 LYS 7 -16.863 6.111 2.021
55 2HZ LYS 7 HZ2 LYS 7 -17.838 5.739 3.359
56 3HZ LYS 7 HZ3 LYS 7 -16.214 6.179 3.589
57 H ASP 8 HN ASP 8 -10.129 3.958 1.123
58 HA ASP 8 HA ASP 8 -8.970 5.378 -1.160
59 1HB ASP 8 HB2 ASP 8 -7.727 4.614 1.564
60 2HB ASP 8 HB3 ASP 8 -7.036 5.762 0.357
61 H CYS 9 HN CYS 9 -9.390 2.026 -0.530
62 HA CYS 9 HA CYS 9 -6.679 1.443 -1.619
63 1HB CYS 9 HB3 CYS 9 -7.451 0.894 0.841
64 2HB CYS 9 HB2 CYS 9 -8.147 -0.582 0.127
65 H ALA 10 HN ALA 10 -9.515 1.804 -2.857
66 HA ALA 10 HA ALA 10 -10.136 -0.476 -4.303
67 1HB ALA 10 HB1 ALA 10 -11.528 1.177 -5.681
68 2HB ALA 10 HB2 ALA 10 -11.680 1.441 -3.918
69 3HB ALA 10 HB3 ALA 10 -10.643 2.526 -4.891
70 H ASP 11 HN ASP 11 -8.282 2.423 -5.263
71 HA ASP 11 HA ASP 11 -7.384 1.536 -7.788
72 1HB ASP 11 HB2 ASP 11 -6.361 3.825 -5.981
73 2HB ASP 11 HB3 ASP 11 -5.950 3.604 -7.730
74 HA PRO 12 HA PRO 12 -3.191 0.199 -5.870
75 1HB PRO 12 HB2 PRO 12 -2.792 -0.130 -3.166
76 2HB PRO 12 HB3 PRO 12 -2.844 1.509 -3.928
77 1HG PRO 12 HG3 PRO 12 -5.213 0.315 -2.656
78 2HG PRO 12 HG2 PRO 12 -4.382 1.859 -2.220
79 1HD PRO 12 HD3 PRO 12 -6.442 1.939 -3.986
80 2HD PRO 12 HD2 PRO 12 -4.924 2.852 -4.374
81 H CYS 13 HN CYS 13 -6.290 -1.070 -4.530
82 HA CYS 13 HA CYS 13 -5.270 -3.810 -4.517
83 1HB CYS 13 HB2 CYS 13 -6.955 -3.363 -2.873
84 2HB CYS 13 HB3 CYS 13 -8.144 -2.859 -4.091
85 H ARG 14 HN ARG 14 -7.037 -1.737 -6.879
86 HA ARG 14 HA ARG 14 -7.820 -3.577 -8.806
87 1HB ARG 14 HB3 ARG 14 -8.256 -0.979 -8.622
88 2HB ARG 14 HB2 ARG 14 -6.615 -0.748 -9.203
89 1HG ARG 14 HG2 ARG 14 -8.056 -0.360 -10.988
90 2HG ARG 14 HG3 ARG 14 -7.184 -1.892 -11.356
91 1HD ARG 14 HD3 ARG 14 -9.551 -2.141 -12.056
92 2HD ARG 14 HD2 ARG 14 -9.405 -3.135 -10.594
93 HE ARG 14 HE ARG 14 -10.514 -1.353 -9.263
94 1HH1 ARG 14 HH2 ARG 14 -10.099 -0.390 -12.504
95 2HH1 ARG 14 HH2 ARG 14 -11.509 0.639 -12.587
96 1HH2 ARG 14 HH1 ARG 14 -12.409 -0.058 -9.310
97 2HH2 ARG 14 HH1 ARG 14 -12.849 0.755 -10.789
98 H LYS 15 HN LYS 15 -4.469 -2.505 -8.250
99 HA LYS 15 HA LYS 15 -3.640 -3.548 -10.829
100 1HB LYS 15 HB3 LYS 15 -1.939 -2.203 -8.660
101 2HB LYS 15 HB2 LYS 15 -1.436 -2.583 -10.346
102 1HG LYS 15 HG3 LYS 15 -3.607 -0.587 -9.453
103 2HG LYS 15 HG2 LYS 15 -1.979 -0.194 -10.098
104 1HD LYS 15 HD3 LYS 15 -2.690 -1.233 -12.304
105 2HD LYS 15 HD2 LYS 15 -4.316 -1.545 -11.578
106 1HE LYS 15 HE3 LYS 15 -3.127 1.262 -11.972
107 2HE LYS 15 HE2 LYS 15 -4.365 0.468 -13.028
108 1HZ LYS 15 HZ1 LYS 15 -4.679 1.079 -10.137
109 2HZ LYS 15 HZ2 LYS 15 -5.358 1.938 -11.437
110 3HZ LYS 15 HZ3 LYS 15 -5.832 0.335 -11.137
111 H GLU 16 HN GLU 16 -3.907 -4.752 -7.594
112 HA GLU 16 HA GLU 16 -2.129 -7.041 -8.187
113 1HB GLU 16 HB2 GLU 16 -2.098 -7.706 -5.830
114 2HB GLU 16 HB3 GLU 16 -1.485 -6.041 -6.043
115 1HG GLU 16 HG3 GLU 16 -3.619 -5.117 -5.227
116 2HG GLU 16 HG2 GLU 16 -4.323 -6.760 -5.062
117 H THR 17 HN THR 17 -5.684 -6.471 -7.290
118 HA THR 17 HA THR 17 -6.075 -9.323 -7.936
119 HB THR 17 HB THR 17 -8.285 -9.111 -6.969
120 HG1 THR 17 HG1 THR 17 -8.431 -7.064 -5.601
121 H GLY 18 HN GLY 18 -7.608 -6.281 -8.393
122 1HA GLY 18 HA1 GLY 18 -8.200 -5.187 -10.390
123 2HA GLY 18 HA2 GLY 18 -8.575 -6.733 -11.148
124 H CYS 19 HN CYS 19 -9.592 -6.691 -7.835
125 HA CYS 19 HA CYS 19 -12.218 -5.519 -8.601
126 1HB CYS 19 HB3 CYS 19 -12.724 -7.637 -8.530
127 2HB CYS 19 HB2 CYS 19 -11.945 -8.018 -6.938
128 HA PRO 20 HA PRO 20 -10.647 -2.792 -5.342
129 1HB PRO 20 HB3 PRO 20 -12.699 -0.816 -5.528
130 2HB PRO 20 HB2 PRO 20 -11.589 -1.154 -6.908
131 1HG PRO 20 HG3 PRO 20 -14.272 -2.223 -6.443
132 2HG PRO 20 HG2 PRO 20 -13.700 -1.409 -7.943
133 1HD PRO 20 HD3 PRO 20 -13.691 -4.224 -7.752
134 2HD PRO 20 HD2 PRO 20 -12.352 -3.303 -8.565
135 H TYR 21 HN TYR 21 -11.525 -5.009 -4.138
136 HA TYR 21 HA TYR 21 -13.731 -4.352 -2.230
137 1HB TYR 21 HB3 TYR 21 -13.079 -6.883 -3.910
138 2HB TYR 21 HB2 TYR 21 -13.448 -7.212 -2.262
139 HD1 TYR 21 HD1 TYR 21 -14.982 -4.449 -4.477
140 HD2 TYR 21 HD2 TYR 21 -15.581 -8.089 -2.225
141 HE1 TYR 21 HE1 TYR 21 -17.360 -4.245 -4.809
142 HE2 TYR 21 HE2 TYR 21 -17.996 -7.902 -2.615
143 HH TYR 21 HH TYR 21 -19.437 -5.080 -4.250
144 H GLY 22 HN GLY 22 -11.638 -3.170 -1.280
145 1HA GLY 22 HA1 GLY 22 -10.351 -5.092 0.634
146 2HA GLY 22 HA2 GLY 22 -9.628 -3.538 0.160
147 H LYS 23 HN LYS 23 -10.270 -4.857 2.861
148 HA LYS 23 HA LYS 23 -12.118 -2.834 3.961
149 1HB LYS 23 HB3 LYS 23 -11.514 -5.736 4.735
150 2HB LYS 23 HB2 LYS 23 -12.433 -4.617 5.802
151 1HG LYS 23 HG3 LYS 23 -14.334 -4.522 4.368
152 2HG LYS 23 HG2 LYS 23 -13.438 -5.100 2.933
153 1HD LYS 23 HD3 LYS 23 -14.800 -6.900 3.541
154 2HD LYS 23 HD2 LYS 23 -13.117 -7.337 3.980
155 1HE LYS 23 HE2 LYS 23 -14.632 -8.132 5.716
156 2HE LYS 23 HE3 LYS 23 -13.697 -6.755 6.425
157 1HZ LYS 23 HZ1 LYS 23 -16.030 -6.632 6.932
158 2HZ LYS 23 HZ2 LYS 23 -15.583 -5.327 5.941
159 3HZ LYS 23 HZ3 LYS 23 -16.448 -6.635 5.286
160 H CYS 24 HN CYS 24 -11.276 -1.537 5.563
161 HA CYS 24 HA CYS 24 -8.387 -1.594 5.936
162 1HB CYS 24 HB3 CYS 24 -9.923 0.442 5.246
163 2HB CYS 24 HB2 CYS 24 -10.189 0.652 6.978
164 H MET 25 HN MET 25 -7.554 -2.663 7.568
165 HA MET 25 HA MET 25 -8.883 -2.685 10.249
166 1HB MET 25 HB3 MET 25 -7.281 -4.829 8.695
167 2HB MET 25 HB2 MET 25 -7.531 -4.963 10.467
168 1HG MET 25 HG3 MET 25 -9.975 -5.172 10.187
169 2HG MET 25 HG2 MET 25 -9.835 -4.936 8.419
170 1HE MET 25 HE1 MET 25 -11.011 -8.599 9.148
171 2HE MET 25 HE2 MET 25 -11.280 -7.130 10.143
172 3HE MET 25 HE3 MET 25 -11.388 -7.029 8.350
173 H ASN 26 HN ASN 26 -7.892 -1.135 11.324
174 HA ASN 26 HA ASN 26 -6.380 0.161 12.245
175 1HB ASN 26 HB3 ASN 26 -5.550 -2.314 13.073
176 2HB ASN 26 HB2 ASN 26 -4.078 -1.890 12.182
177 1HD2 ASN 26 HD2 ASN 26 -3.575 0.742 12.878
178 2HD2 ASN 26 HD2 ASN 26 -3.635 0.984 14.616
179 H ARG 27 HN ARG 27 -6.523 0.526 9.440
180 HA ARG 27 HA ARG 27 -5.690 1.993 7.985
181 1HB ARG 27 HB3 ARG 27 -2.879 1.883 9.184
182 2HB ARG 27 HB2 ARG 27 -3.476 3.017 7.921
183 1HG ARG 27 HG3 ARG 27 -4.960 4.134 9.599
184 2HG ARG 27 HG2 ARG 27 -4.348 2.998 10.846
185 1HD ARG 27 HD2 ARG 27 -1.964 3.711 10.201
186 2HD ARG 27 HD3 ARG 27 -2.693 5.072 9.281
187 HE ARG 27 HE ARG 27 -3.447 6.083 11.302
188 1HH1 ARG 27 HH1 ARG 27 -1.897 3.076 11.933
189 2HH1 ARG 27 HH1 ARG 27 -1.407 3.498 13.572
190 1HH2 ARG 27 HH2 ARG 27 -2.982 6.602 13.375
191 2HH2 ARG 27 HH2 ARG 27 -2.094 5.522 14.396
192 H LYS 28 HN LYS 28 -5.186 -1.218 8.050
193 HA LYS 28 HA LYS 28 -3.485 -1.287 5.630
194 1HB LYS 28 HB2 LYS 28 -3.731 -3.380 7.874
195 2HB LYS 28 HB3 LYS 28 -2.809 -3.604 6.351
196 1HG LYS 28 HG2 LYS 28 -1.347 -1.711 6.861
197 2HG LYS 28 HG3 LYS 28 -2.159 -1.424 8.440
198 1HD LYS 28 HD3 LYS 28 -0.772 -4.059 7.663
199 2HD LYS 28 HD2 LYS 28 -0.022 -2.733 8.607
200 1HE LYS 28 HE2 LYS 28 -1.772 -2.981 10.393
201 2HE LYS 28 HE3 LYS 28 -2.530 -4.343 9.477
202 1HZ LYS 28 HZ1 LYS 28 -0.451 -5.524 9.611
203 2HZ LYS 28 HZ2 LYS 28 0.261 -4.250 10.479
204 3HZ LYS 28 HZ3 LYS 28 -1.035 -5.117 11.152
205 H CYS 29 HN CYS 29 -4.193 -2.352 3.836
206 HA CYS 29 HA CYS 29 -7.026 -3.068 3.817
207 1HB CYS 29 HB3 CYS 29 -5.537 -3.076 1.143
208 2HB CYS 29 HB2 CYS 29 -7.113 -2.507 1.669
209 H LYS 30 HN LYS 30 -7.602 -5.135 4.048
210 HA LYS 30 HA LYS 30 -6.002 -7.378 2.995
211 1HB LYS 30 HB3 LYS 30 -8.595 -7.312 4.705
212 2HB LYS 30 HB2 LYS 30 -7.626 -8.774 4.324
213 1HG LYS 30 HG2 LYS 30 -6.697 -6.390 6.110
214 2HG LYS 30 HG3 LYS 30 -7.542 -7.876 6.629
215 1HD LYS 30 HD3 LYS 30 -5.394 -8.380 7.182
216 2HD LYS 30 HD2 LYS 30 -5.597 -9.262 5.637
217 1HE LYS 30 HE2 LYS 30 -4.244 -7.421 4.494
218 2HE LYS 30 HE3 LYS 30 -4.127 -6.559 6.082
219 1HZ LYS 30 HZ1 LYS 30 -2.184 -7.869 5.622
220 2HZ LYS 30 HZ2 LYS 30 -2.999 -8.474 6.984
221 3HZ LYS 30 HZ3 LYS 30 -3.106 -9.291 5.500
222 H CYS 31 HN CYS 31 -6.638 -7.954 0.767
223 HA CYS 31 HA CYS 31 -9.163 -6.749 -0.108
224 1HB CYS 31 HB2 CYS 31 -6.932 -6.239 -1.176
225 2HB CYS 31 HB3 CYS 31 -7.150 -7.709 -2.144
226 H ASN 32 HN ASN 32 -10.400 -7.977 -2.024
227 HA ASN 32 HA ASN 32 -10.860 -10.753 -1.253
228 1HB ASN 32 HB2 ASN 32 -11.995 -9.160 0.437
229 2HB ASN 32 HB3 ASN 32 -13.066 -8.539 -0.806
230 1HD2 ASN 32 HD2 ASN 32 -14.884 -10.302 -1.418
231 2HD2 ASN 32 HD2 ASN 32 -15.062 -11.583 -0.240
232 H ARG 33 HN ARG 33 -13.410 -11.106 -2.509
233 HA ARG 33 HA ARG 33 -13.088 -10.060 -5.212
234 1HB ARG 33 HB3 ARG 33 -12.214 -12.514 -4.653
235 2HB ARG 33 HB2 ARG 33 -13.920 -12.990 -4.739
236 1HG ARG 33 HG2 ARG 33 -12.519 -13.344 -6.793
237 2HG ARG 33 HG3 ARG 33 -13.935 -12.309 -7.162
238 1HD ARG 33 HD3 ARG 33 -11.633 -11.664 -8.255
239 2HD ARG 33 HD2 ARG 33 -12.558 -10.356 -7.440
240 HE ARG 33 HE ARG 33 -11.080 -10.377 -5.528
241 1HH1 ARG 33 HH1 ARG 33 -9.717 -12.175 -8.238
242 2HH1 ARG 33 HH1 ARG 33 -8.217 -12.481 -7.405
243 1HH2 ARG 33 HH2 ARG 33 -9.217 -10.686 -4.582
244 2HH2 ARG 33 HH2 ARG 33 -7.888 -11.473 -5.381
245 H CYS 34 HN CYS 34 -14.975 -10.284 -6.550
246 HA CYS 34 HA CYS 34 -17.515 -9.876 -5.178
247 1HB CYS 34 HB2 CYS 34 -17.839 -8.115 -7.068
248 2HB CYS 34 HB3 CYS 34 -16.712 -7.665 -5.759
249 1HN NH2 35 HT1 CYS 34 -19.331 -10.409 -6.770
250 2HN NH2 35 HT2 CYS 34 -18.985 -11.576 -8.011
Start of MODEL 19
1 2H ALA 1 HN2 ALA 1 -2.721 -3.690 0.878
2 H ALA 1 HN ALA 1 -1.235 -4.007 0.109
3 3H ALA 1 HN3 ALA 1 -1.313 -3.805 1.801
4 HA ALA 1 HA ALA 1 -0.431 -1.820 0.628
5 1HB ALA 1 HB1 ALA 1 -2.102 -0.488 -0.824
6 2HB ALA 1 HB2 ALA 1 -1.833 -2.124 -1.453
7 3HB ALA 1 HB3 ALA 1 -3.330 -1.761 -0.529
8 H SER 2 HN SER 2 -1.310 0.593 1.351
9 HA SER 2 HA SER 2 -2.425 0.317 4.036
10 1HB SER 2 HB3 SER 2 -0.761 2.549 2.713
11 2HB SER 2 HB2 SER 2 -1.438 2.659 4.384
12 HG SER 2 HG SER 2 -0.095 1.140 5.051
13 H CYS 3 HN CYS 3 -3.952 1.852 4.811
14 HA CYS 3 HA CYS 3 -5.515 3.448 2.905
15 1HB CYS 3 HB2 CYS 3 -7.716 2.362 3.867
16 2HB CYS 3 HB3 CYS 3 -6.732 1.417 2.740
17 H ARG 4 HN ARG 4 -7.306 4.578 4.152
18 HA ARG 4 HA ARG 4 -6.482 5.478 6.861
19 1HB ARG 4 HB2 ARG 4 -7.662 7.160 4.574
20 2HB ARG 4 HB3 ARG 4 -7.568 7.716 6.289
21 1HG ARG 4 HG3 ARG 4 -5.197 7.385 6.383
22 2HG ARG 4 HG2 ARG 4 -5.088 6.986 4.634
23 1HD ARG 4 HD3 ARG 4 -5.644 9.367 4.025
24 2HD ARG 4 HD2 ARG 4 -5.994 9.735 5.782
25 HE ARG 4 HE ARG 4 -3.424 8.581 5.736
26 1HH1 ARG 4 HH1 ARG 4 -4.920 11.508 4.549
27 2HH1 ARG 4 HH1 ARG 4 -3.512 12.472 4.887
28 1HH2 ARG 4 HH2 ARG 4 -1.668 9.775 6.041
29 2HH2 ARG 4 HH2 ARG 4 -1.676 11.482 5.704
30 H THR 5 HN THR 5 -9.212 5.395 4.471
31 HA THR 5 HA THR 5 -10.928 4.038 6.408
32 HB THR 5 HB THR 5 -12.848 5.102 5.098
33 HG1 THR 5 HG1 THR 5 -12.250 7.011 3.969
34 1HG2 THR 5 HG2 THR 5 -10.861 7.064 6.461
35 2HG2 THR 5 HG2 THR 5 -12.619 7.338 6.232
36 3HG2 THR 5 HG2 THR 5 -12.055 6.035 7.334
37 HA PRO 6 HA PRO 6 -10.601 0.838 3.273
38 1HB PRO 6 HB2 PRO 6 -13.615 0.385 3.302
39 2HB PRO 6 HB3 PRO 6 -12.267 -0.746 3.563
40 1HG PRO 6 HG3 PRO 6 -13.795 0.273 5.640
41 2HG PRO 6 HG2 PRO 6 -12.007 0.133 5.845
42 1HD PRO 6 HD3 PRO 6 -13.559 2.640 5.065
43 2HD PRO 6 HD2 PRO 6 -12.261 2.363 6.331
44 H LYS 7 HN LYS 7 -12.646 3.552 2.339
45 HA LYS 7 HA LYS 7 -13.038 2.793 -0.410
46 1HB LYS 7 HB3 LYS 7 -14.173 4.917 -0.677
47 2HB LYS 7 HB2 LYS 7 -14.712 3.987 0.747
48 1HG LYS 7 HG3 LYS 7 -14.710 6.041 1.688
49 2HG LYS 7 HG2 LYS 7 -13.055 5.581 2.130
50 1HD LYS 7 HD3 LYS 7 -12.527 6.846 -0.259
51 2HD LYS 7 HD2 LYS 7 -14.146 7.544 0.058
52 1HE LYS 7 HE3 LYS 7 -11.563 7.778 1.721
53 2HE LYS 7 HE2 LYS 7 -12.504 9.120 0.952
54 1HZ LYS 7 HZ1 LYS 7 -13.374 7.392 3.224
55 2HZ LYS 7 HZ2 LYS 7 -12.839 9.001 3.323
56 3HZ LYS 7 HZ3 LYS 7 -14.291 8.635 2.521
57 H ASP 8 HN ASP 8 -10.114 3.739 1.141
58 HA ASP 8 HA ASP 8 -9.091 5.206 -1.179
59 1HB ASP 8 HB3 ASP 8 -7.768 4.509 1.542
60 2HB ASP 8 HB2 ASP 8 -7.088 5.584 0.259
61 H CYS 9 HN CYS 9 -9.567 1.918 -0.359
62 HA CYS 9 HA CYS 9 -6.950 1.114 -1.437
63 1HB CYS 9 HB3 CYS 9 -7.834 0.483 0.935
64 2HB CYS 9 HB2 CYS 9 -8.748 -0.802 0.117
65 H ALA 10 HN ALA 10 -9.927 1.739 -2.666
66 HA ALA 10 HA ALA 10 -10.646 -0.461 -4.174
67 1HB ALA 10 HB1 ALA 10 -11.056 2.549 -4.674
68 2HB ALA 10 HB2 ALA 10 -11.989 1.238 -5.483
69 3HB ALA 10 HB3 ALA 10 -12.102 1.469 -3.706
70 H ASP 11 HN ASP 11 -8.655 2.354 -5.145
71 HA ASP 11 HA ASP 11 -7.959 1.435 -7.741
72 1HB ASP 11 HB2 ASP 11 -6.736 3.694 -6.043
73 2HB ASP 11 HB3 ASP 11 -6.440 3.443 -7.807
74 HA PRO 12 HA PRO 12 -3.696 -0.063 -6.074
75 1HB PRO 12 HB3 PRO 12 -3.395 -0.561 -3.283
76 2HB PRO 12 HB2 PRO 12 -2.882 0.923 -4.143
77 1HG PRO 12 HG2 PRO 12 -5.407 0.306 -2.645
78 2HG PRO 12 HG3 PRO 12 -4.400 1.815 -2.518
79 1HD PRO 12 HD2 PRO 12 -6.734 1.741 -3.985
80 2HD PRO 12 HD3 PRO 12 -5.287 2.671 -4.567
81 H CYS 13 HN CYS 13 -6.815 -1.228 -4.630
82 HA CYS 13 HA CYS 13 -6.006 -3.967 -4.487
83 1HB CYS 13 HB2 CYS 13 -7.616 -3.125 -2.926
84 2HB CYS 13 HB3 CYS 13 -8.747 -2.687 -4.233
85 H ARG 14 HN ARG 14 -7.578 -1.895 -6.963
86 HA ARG 14 HA ARG 14 -8.155 -3.873 -8.908
87 1HB ARG 14 HB3 ARG 14 -9.019 -1.449 -8.892
88 2HB ARG 14 HB2 ARG 14 -7.359 -0.864 -9.099
89 1HG ARG 14 HG2 ARG 14 -8.593 -0.689 -11.179
90 2HG ARG 14 HG3 ARG 14 -7.182 -1.777 -11.342
91 1HD ARG 14 HD2 ARG 14 -9.261 -2.634 -12.529
92 2HD ARG 14 HD3 ARG 14 -8.617 -3.812 -11.319
93 HE ARG 14 HE ARG 14 -10.471 -2.144 -9.916
94 HH1 ARG 14 HH1 ARG 14 -13.316 -2.334 -11.609
95 HH1 ARG 14 HH1 ARG 14 -12.281 -1.339 -10.649
96 HH2 ARG 14 HH2 ARG 14 -12.495 -4.481 -12.315
97 HH2 ARG 14 HH2 ARG 14 -10.873 -4.852 -11.791
98 H LYS 15 HN LYS 15 -5.102 -2.669 -7.872
99 HA LYS 15 HA LYS 15 -3.769 -3.476 -10.332
100 1HB LYS 15 HB2 LYS 15 -3.389 -1.263 -9.248
101 2HB LYS 15 HB3 LYS 15 -2.665 -2.057 -7.826
102 1HG LYS 15 HG3 LYS 15 -0.815 -2.937 -9.333
103 2HG LYS 15 HG2 LYS 15 -1.629 -2.173 -10.751
104 1HD LYS 15 HD3 LYS 15 -1.393 0.064 -9.557
105 2HD LYS 15 HD2 LYS 15 -0.510 -0.806 -8.248
106 1HE LYS 15 HE3 LYS 15 1.284 -1.464 -9.885
107 2HE LYS 15 HE2 LYS 15 0.403 -0.578 -11.198
108 1HZ LYS 15 HZ1 LYS 15 0.637 1.438 -9.912
109 2HZ LYS 15 HZ2 LYS 15 1.460 0.606 -8.682
110 3HZ LYS 15 HZ3 LYS 15 2.149 0.735 -10.230
111 H GLU 16 HN GLU 16 -3.720 -4.227 -6.741
112 HA GLU 16 HA GLU 16 -1.845 -6.428 -7.136
113 1HB GLU 16 HB3 GLU 16 -1.852 -6.838 -4.679
114 2HB GLU 16 HB2 GLU 16 -1.519 -5.130 -5.015
115 1HG GLU 16 HG3 GLU 16 -4.082 -4.782 -4.726
116 2HG GLU 16 HG2 GLU 16 -4.188 -6.435 -4.053
117 H THR 17 HN THR 17 -5.419 -6.312 -6.541
118 HA THR 17 HA THR 17 -5.331 -9.239 -7.044
119 HB THR 17 HB THR 17 -5.875 -8.778 -4.698
120 HG1 THR 17 HG1 THR 17 -6.656 -10.599 -6.257
121 H GLY 18 HN GLY 18 -6.962 -6.172 -7.858
122 1HA GLY 18 HA1 GLY 18 -7.308 -5.860 -10.132
123 2HA GLY 18 HA2 GLY 18 -7.751 -7.528 -10.386
124 H CYS 19 HN CYS 19 -9.305 -6.470 -7.647
125 HA CYS 19 HA CYS 19 -11.585 -5.265 -9.094
126 1HB CYS 19 HB2 CYS 19 -11.606 -7.933 -7.638
127 2HB CYS 19 HB3 CYS 19 -13.010 -6.873 -7.365
128 HA PRO 20 HA PRO 20 -10.927 -2.746 -5.535
129 1HB PRO 20 HB3 PRO 20 -12.848 -0.807 -5.981
130 2HB PRO 20 HB2 PRO 20 -11.764 -1.301 -7.323
131 1HG PRO 20 HG3 PRO 20 -14.488 -2.221 -6.814
132 2HG PRO 20 HG2 PRO 20 -13.840 -1.566 -8.368
133 1HD PRO 20 HD3 PRO 20 -13.969 -4.360 -7.768
134 2HD PRO 20 HD2 PRO 20 -12.733 -3.592 -8.857
135 H TYR 21 HN TYR 21 -12.276 -5.135 -4.480
136 HA TYR 21 HA TYR 21 -14.365 -4.032 -2.640
137 1HB TYR 21 HB3 TYR 21 -13.689 -7.055 -3.287
138 2HB TYR 21 HB2 TYR 21 -14.700 -6.467 -1.943
139 HD1 TYR 21 HD1 TYR 21 -15.101 -4.844 -5.364
140 HD2 TYR 21 HD2 TYR 21 -16.390 -7.867 -2.564
141 HE1 TYR 21 HE1 TYR 21 -17.120 -5.245 -6.696
142 HE2 TYR 21 HE2 TYR 21 -18.377 -8.265 -3.886
143 HH TYR 21 HH TYR 21 -19.022 -6.486 -6.920
144 H GLY 22 HN GLY 22 -13.274 -3.090 -0.765
145 1HA GLY 22 HA1 GLY 22 -11.505 -5.052 0.602
146 2HA GLY 22 HA2 GLY 22 -10.797 -3.471 0.102
147 H LYS 23 HN LYS 23 -10.758 -4.501 2.710
148 HA LYS 23 HA LYS 23 -12.462 -2.664 4.239
149 1HB LYS 23 HB3 LYS 23 -11.678 -5.610 4.669
150 2HB LYS 23 HB2 LYS 23 -12.331 -4.603 6.008
151 1HG LYS 23 HG3 LYS 23 -14.506 -4.467 5.081
152 2HG LYS 23 HG2 LYS 23 -13.945 -4.830 3.425
153 1HD LYS 23 HD3 LYS 23 -15.158 -6.706 4.176
154 2HD LYS 23 HD2 LYS 23 -13.431 -7.160 3.994
155 1HE LYS 23 HE3 LYS 23 -13.148 -7.102 6.496
156 2HE LYS 23 HE2 LYS 23 -14.863 -6.544 6.681
157 1HZ LYS 23 HZ1 LYS 23 -14.639 -8.902 6.990
158 2HZ LYS 23 HZ2 LYS 23 -15.579 -8.573 5.615
159 3HZ LYS 23 HZ3 LYS 23 -13.973 -9.097 5.439
160 H CYS 24 HN CYS 24 -11.263 -1.538 5.813
161 HA CYS 24 HA CYS 24 -8.322 -1.752 5.693
162 1HB CYS 24 HB3 CYS 24 -9.758 0.426 5.437
163 2HB CYS 24 HB2 CYS 24 -9.974 0.387 7.186
164 H MET 25 HN MET 25 -7.110 -2.769 7.316
165 HA MET 25 HA MET 25 -8.477 -3.351 9.920
166 1HB MET 25 HB2 MET 25 -6.366 -5.084 8.462
167 2HB MET 25 HB3 MET 25 -6.940 -5.346 10.127
168 1HG MET 25 HG2 MET 25 -9.237 -5.894 9.348
169 2HG MET 25 HG3 MET 25 -8.776 -5.557 7.663
170 1HE MET 25 HE1 MET 25 -7.468 -9.157 10.305
171 2HE MET 25 HE2 MET 25 -6.915 -7.498 10.695
172 3HE MET 25 HE3 MET 25 -8.669 -7.891 10.722
173 H ASN 26 HN ASN 26 -7.809 -1.162 10.234
174 HA ASN 26 HA ASN 26 -6.735 0.346 11.418
175 1HB ASN 26 HB2 ASN 26 -6.462 -1.615 13.012
176 2HB ASN 26 HB3 ASN 26 -4.775 -1.801 12.448
177 1HD2 ASN 26 HD2 ASN 26 -3.466 0.342 12.719
178 2HD2 ASN 26 HD2 ASN 26 -3.747 1.201 14.231
179 H ARG 27 HN ARG 27 -6.185 0.849 8.953
180 HA ARG 27 HA ARG 27 -4.964 2.160 7.742
181 1HB ARG 27 HB3 ARG 27 -2.550 1.843 9.553
182 2HB ARG 27 HB2 ARG 27 -2.658 2.969 8.165
183 1HG ARG 27 HG2 ARG 27 -4.218 4.404 9.284
184 2HG ARG 27 HG3 ARG 27 -4.749 3.118 10.401
185 1HD ARG 27 HD2 ARG 27 -3.421 4.743 11.659
186 2HD ARG 27 HD3 ARG 27 -2.603 3.119 11.603
187 HE ARG 27 HE ARG 27 -1.803 4.939 9.401
188 1HH1 ARG 27 HH1 ARG 27 -1.111 4.214 12.794
189 2HH1 ARG 27 HH1 ARG 27 0.542 4.690 12.633
190 1HH2 ARG 27 HH2 ARG 27 0.277 5.600 9.326
191 2HH2 ARG 27 HH2 ARG 27 1.305 5.511 10.733
192 H LYS 28 HN LYS 28 -4.217 -1.088 8.234
193 HA LYS 28 HA LYS 28 -2.783 -1.324 5.642
194 1HB LYS 28 HB3 LYS 28 -1.973 -2.371 7.959
195 2HB LYS 28 HB2 LYS 28 -3.162 -3.648 7.623
196 1HG LYS 28 HG3 LYS 28 -0.719 -2.716 5.918
197 2HG LYS 28 HG2 LYS 28 -0.786 -4.163 6.985
198 1HD LYS 28 HD3 LYS 28 -2.485 -5.214 5.415
199 2HD LYS 28 HD2 LYS 28 -2.350 -3.763 4.383
200 1HE LYS 28 HE3 LYS 28 0.166 -4.239 4.129
201 2HE LYS 28 HE2 LYS 28 -0.143 -5.839 4.916
202 1HZ LYS 28 HZ1 LYS 28 -1.460 -4.783 2.454
203 2HZ LYS 28 HZ2 LYS 28 -0.227 -5.950 2.517
204 3HZ LYS 28 HZ3 LYS 28 -1.757 -6.293 3.170
205 H CYS 29 HN CYS 29 -3.843 -2.389 3.941
206 HA CYS 29 HA CYS 29 -6.699 -2.998 4.250
207 1HB CYS 29 HB2 CYS 29 -4.947 -3.323 1.714
208 2HB CYS 29 HB3 CYS 29 -6.738 -3.308 1.807
209 H LYS 30 HN LYS 30 -7.659 -4.983 3.796
210 HA LYS 30 HA LYS 30 -6.043 -7.305 3.054
211 1HB LYS 30 HB2 LYS 30 -6.806 -7.585 5.482
212 2HB LYS 30 HB3 LYS 30 -8.466 -7.177 4.988
213 1HG LYS 30 HG3 LYS 30 -8.449 -9.484 5.283
214 2HG LYS 30 HG2 LYS 30 -8.467 -9.328 3.511
215 1HD LYS 30 HD3 LYS 30 -6.000 -9.974 5.293
216 2HD LYS 30 HD2 LYS 30 -7.037 -11.167 4.444
217 1HE LYS 30 HE2 LYS 30 -5.124 -9.171 3.096
218 2HE LYS 30 HE3 LYS 30 -5.003 -10.967 3.171
219 1HZ LYS 30 HZ1 LYS 30 -7.149 -9.410 1.823
220 2HZ LYS 30 HZ2 LYS 30 -5.850 -10.205 1.074
221 3HZ LYS 30 HZ3 LYS 30 -7.038 -11.102 1.893
222 H CYS 31 HN CYS 31 -7.072 -8.057 0.952
223 HA CYS 31 HA CYS 31 -9.546 -6.478 0.353
224 1HB CYS 31 HB2 CYS 31 -7.138 -5.789 -0.660
225 2HB CYS 31 HB3 CYS 31 -7.553 -7.007 -1.880
226 H ASN 32 HN ASN 32 -10.892 -7.252 -1.326
227 HA ASN 32 HA ASN 32 -11.121 -10.223 -1.194
228 1HB ASN 32 HB3 ASN 32 -13.401 -8.117 -1.456
229 2HB ASN 32 HB2 ASN 32 -13.583 -9.827 -1.033
230 1HD2 ASN 32 HD2 ASN 32 -12.203 -10.451 1.037
231 2HD2 ASN 32 HD2 ASN 32 -12.474 -9.300 2.323
232 H ARG 33 HN ARG 33 -12.737 -11.091 -2.909
233 HA ARG 33 HA ARG 33 -11.993 -10.126 -5.559
234 1HB ARG 33 HB2 ARG 33 -12.656 -12.261 -6.381
235 2HB ARG 33 HB3 ARG 33 -11.669 -12.554 -4.929
236 1HG ARG 33 HG3 ARG 33 -14.773 -12.821 -5.097
237 2HG ARG 33 HG2 ARG 33 -13.541 -14.103 -5.157
238 1HD ARG 33 HD3 ARG 33 -14.404 -14.261 -2.989
239 2HD ARG 33 HD2 ARG 33 -12.796 -13.441 -2.766
240 HE ARG 33 HE ARG 33 -14.800 -11.355 -3.108
241 1HH1 ARG 33 HH1 ARG 33 -13.769 -13.729 -0.665
242 2HH1 ARG 33 HH1 ARG 33 -14.656 -12.937 0.596
243 1HH2 ARG 33 HH2 ARG 33 -16.226 -10.784 -1.600
244 2HH2 ARG 33 HH2 ARG 33 -15.919 -11.117 0.080
245 H CYS 34 HN CYS 34 -13.642 -9.719 -7.109
246 HA CYS 34 HA CYS 34 -16.052 -8.479 -6.192
247 1HB CYS 34 HB2 CYS 34 -16.334 -8.231 -8.802
248 2HB CYS 34 HB3 CYS 34 -15.077 -7.322 -7.937
249 1HN NH2 35 HT1 CYS 34 -17.626 -10.034 -5.454
250 2HN NH2 35 HT2 CYS 34 -18.295 -11.212 -6.566
Start of MODEL 20
1 2H ALA 1 HN2 ALA 1 -0.812 -3.489 1.649
2 H ALA 1 HN ALA 1 -2.203 -3.695 0.726
3 3H ALA 1 HN3 ALA 1 -0.674 -3.723 -0.034
4 HA ALA 1 HA ALA 1 -0.375 -1.399 0.418
5 1HB ALA 1 HB1 ALA 1 -2.329 -0.407 -0.913
6 2HB ALA 1 HB2 ALA 1 -1.790 -1.952 -1.613
7 3HB ALA 1 HB3 ALA 1 -3.286 -1.899 -0.598
8 H SER 2 HN SER 2 -1.144 0.690 1.360
9 HA SER 2 HA SER 2 -2.276 0.418 3.986
10 1HB SER 2 HB3 SER 2 -1.121 2.806 4.079
11 2HB SER 2 HB2 SER 2 -0.100 1.355 3.896
12 HG SER 2 HG SER 2 -0.747 3.282 1.967
13 H CYS 3 HN CYS 3 -4.097 1.593 4.737
14 HA CYS 3 HA CYS 3 -5.515 3.324 2.765
15 1HB CYS 3 HB2 CYS 3 -7.753 2.297 3.575
16 2HB CYS 3 HB3 CYS 3 -6.662 1.278 2.653
17 H ARG 4 HN ARG 4 -7.468 4.364 4.089
18 HA ARG 4 HA ARG 4 -6.519 5.528 6.640
19 1HB ARG 4 HB2 ARG 4 -7.695 7.028 4.190
20 2HB ARG 4 HB3 ARG 4 -7.526 7.755 5.816
21 1HG ARG 4 HG3 ARG 4 -5.171 6.741 4.079
22 2HG ARG 4 HG2 ARG 4 -5.850 8.399 4.190
23 1HD ARG 4 HD3 ARG 4 -3.980 8.513 5.552
24 2HD ARG 4 HD2 ARG 4 -5.391 8.380 6.691
25 HE ARG 4 HE ARG 4 -4.258 5.699 6.188
26 1HH1 ARG 4 HH1 ARG 4 -3.587 8.716 7.841
27 2HH1 ARG 4 HH1 ARG 4 -2.554 7.970 9.020
28 1HH2 ARG 4 HH2 ARG 4 -2.891 4.807 7.766
29 2HH2 ARG 4 HH2 ARG 4 -2.154 5.817 8.967
30 H THR 5 HN THR 5 -9.264 5.303 4.303
31 HA THR 5 HA THR 5 -10.962 4.032 6.258
32 HB THR 5 HB THR 5 -12.908 5.182 5.118
33 HG1 THR 5 HG1 THR 5 -12.233 7.193 4.048
34 1HG2 THR 5 HG2 THR 5 -12.580 7.418 6.221
35 2HG2 THR 5 HG2 THR 5 -11.957 6.108 7.282
36 3HG2 THR 5 HG2 THR 5 -10.812 7.126 6.339
37 HA PRO 6 HA PRO 6 -10.858 0.978 2.937
38 1HB PRO 6 HB3 PRO 6 -13.948 1.042 2.916
39 2HB PRO 6 HB2 PRO 6 -12.860 -0.392 2.977
40 1HG PRO 6 HG3 PRO 6 -13.995 0.441 5.279
41 2HG PRO 6 HG2 PRO 6 -12.190 0.208 5.270
42 1HD PRO 6 HD3 PRO 6 -13.667 2.868 4.832
43 2HD PRO 6 HD2 PRO 6 -12.390 2.421 6.069
44 H LYS 7 HN LYS 7 -12.584 3.834 2.159
45 HA LYS 7 HA LYS 7 -13.118 3.532 -0.625
46 1HB LYS 7 HB3 LYS 7 -14.365 5.068 0.927
47 2HB LYS 7 HB2 LYS 7 -12.896 6.097 1.099
48 1HG LYS 7 HG3 LYS 7 -13.057 6.666 -1.331
49 2HG LYS 7 HG2 LYS 7 -14.456 5.554 -1.499
50 1HD LYS 7 HD3 LYS 7 -15.760 6.923 0.122
51 2HD LYS 7 HD2 LYS 7 -14.324 7.966 0.418
52 1HE LYS 7 HE3 LYS 7 -14.387 8.778 -1.948
53 2HE LYS 7 HE2 LYS 7 -15.823 7.721 -2.276
54 1HZ LYS 7 HZ1 LYS 7 -17.017 8.913 -0.568
55 2HZ LYS 7 HZ2 LYS 7 -15.673 9.903 -0.260
56 3HZ LYS 7 HZ3 LYS 7 -16.448 9.969 -1.769
57 H ASP 8 HN ASP 8 -10.110 4.124 1.093
58 HA ASP 8 HA ASP 8 -8.845 5.550 -1.140
59 1HB ASP 8 HB3 ASP 8 -7.947 4.749 1.699
60 2HB ASP 8 HB2 ASP 8 -6.877 5.624 0.538
61 H CYS 9 HN CYS 9 -9.481 2.240 -0.552
62 HA CYS 9 HA CYS 9 -6.853 1.537 -1.732
63 1HB CYS 9 HB3 CYS 9 -7.544 0.840 0.683
64 2HB CYS 9 HB2 CYS 9 -8.380 -0.509 -0.091
65 H ALA 10 HN ALA 10 -9.864 1.968 -2.834
66 HA ALA 10 HA ALA 10 -10.563 -0.208 -4.321
67 1HB ALA 10 HB1 ALA 10 -10.980 2.786 -4.918
68 2HB ALA 10 HB2 ALA 10 -11.959 1.422 -5.576
69 3HB ALA 10 HB3 ALA 10 -11.968 1.773 -3.817
70 H ASP 11 HN ASP 11 -8.480 2.534 -5.281
71 HA ASP 11 HA ASP 11 -7.833 1.467 -7.873
72 1HB ASP 11 HB2 ASP 11 -6.841 3.975 -6.424
73 2HB ASP 11 HB3 ASP 11 -6.482 3.554 -8.147
74 HA PRO 12 HA PRO 12 -3.617 0.028 -6.138
75 1HB PRO 12 HB3 PRO 12 -3.312 -0.291 -3.336
76 2HB PRO 12 HB2 PRO 12 -2.801 1.167 -4.226
77 1HG PRO 12 HG3 PRO 12 -5.415 0.597 -2.848
78 2HG PRO 12 HG2 PRO 12 -4.404 2.061 -2.567
79 1HD PRO 12 HD2 PRO 12 -6.586 2.159 -4.188
80 2HD PRO 12 HD3 PRO 12 -5.049 2.944 -4.753
81 H CYS 13 HN CYS 13 -6.771 -0.962 -4.375
82 HA CYS 13 HA CYS 13 -5.925 -3.692 -4.490
83 1HB CYS 13 HB2 CYS 13 -7.350 -2.993 -2.620
84 2HB CYS 13 HB3 CYS 13 -8.739 -2.907 -3.719
85 H ARG 14 HN ARG 14 -7.564 -1.622 -6.802
86 HA ARG 14 HA ARG 14 -8.290 -3.624 -8.692
87 1HB ARG 14 HB3 ARG 14 -9.102 -1.185 -8.712
88 2HB ARG 14 HB2 ARG 14 -7.427 -0.653 -8.964
89 1HG ARG 14 HG3 ARG 14 -8.574 -0.403 -10.959
90 2HG ARG 14 HG2 ARG 14 -7.327 -1.687 -11.192
91 1HD ARG 14 HD2 ARG 14 -9.460 -2.305 -12.371
92 2HD ARG 14 HD3 ARG 14 -9.224 -3.426 -11.005
93 HE ARG 14 HE ARG 14 -11.168 -2.475 -9.932
94 HH1 ARG 14 HH1 ARG 14 -13.407 -0.240 -11.362
95 HH1 ARG 14 HH1 ARG 14 -13.143 -1.356 -10.055
96 HH2 ARG 14 HH2 ARG 14 -11.825 0.224 -12.789
97 HH2 ARG 14 HH2 ARG 14 -10.261 -0.523 -12.649
98 H LYS 15 HN LYS 15 -5.233 -2.565 -7.645
99 HA LYS 15 HA LYS 15 -3.875 -3.479 -10.050
100 1HB LYS 15 HB2 LYS 15 -2.854 -1.884 -7.618
101 2HB LYS 15 HB3 LYS 15 -1.806 -2.383 -8.967
102 1HG LYS 15 HG3 LYS 15 -4.216 -0.524 -9.121
103 2HG LYS 15 HG2 LYS 15 -2.485 -0.046 -9.174
104 1HD LYS 15 HD3 LYS 15 -2.347 -1.362 -11.393
105 2HD LYS 15 HD2 LYS 15 -4.126 -1.656 -11.220
106 1HE LYS 15 HE3 LYS 15 -4.556 0.803 -11.212
107 2HE LYS 15 HE2 LYS 15 -2.790 1.108 -11.507
108 1HZ LYS 15 HZ1 LYS 15 -4.073 1.120 -13.520
109 2HZ LYS 15 HZ2 LYS 15 -2.982 -0.182 -13.526
110 3HZ LYS 15 HZ3 LYS 15 -4.632 -0.459 -13.236
111 H GLU 16 HN GLU 16 -3.837 -4.042 -6.432
112 HA GLU 16 HA GLU 16 -1.996 -6.267 -6.656
113 1HB GLU 16 HB3 GLU 16 -2.092 -6.670 -4.216
114 2HB GLU 16 HB2 GLU 16 -1.761 -4.955 -4.532
115 1HG GLU 16 HG2 GLU 16 -4.245 -4.584 -4.259
116 2HG GLU 16 HG3 GLU 16 -4.474 -6.256 -3.646
117 H THR 17 HN THR 17 -5.565 -6.111 -6.401
118 HA THR 17 HA THR 17 -5.518 -9.069 -6.757
119 HB THR 17 HB THR 17 -7.812 -9.322 -6.100
120 HG1 THR 17 HG1 THR 17 -7.771 -6.717 -4.994
121 H GLY 18 HN GLY 18 -7.236 -6.055 -7.637
122 1HA GLY 18 HA1 GLY 18 -7.601 -5.571 -10.014
123 2HA GLY 18 HA2 GLY 18 -8.138 -7.247 -10.207
124 H CYS 19 HN CYS 19 -9.238 -6.911 -7.282
125 HA CYS 19 HA CYS 19 -11.863 -5.796 -8.160
126 1HB CYS 19 HB2 CYS 19 -11.131 -7.834 -5.945
127 2HB CYS 19 HB3 CYS 19 -12.791 -7.257 -6.302
128 HA PRO 20 HA PRO 20 -10.722 -2.650 -5.185
129 1HB PRO 20 HB2 PRO 20 -12.622 -0.796 -5.876
130 2HB PRO 20 HB3 PRO 20 -11.371 -1.286 -7.061
131 1HG PRO 20 HG2 PRO 20 -14.229 -2.335 -6.699
132 2HG PRO 20 HG3 PRO 20 -13.534 -1.640 -8.209
133 1HD PRO 20 HD2 PRO 20 -13.541 -4.388 -7.659
134 2HD PRO 20 HD3 PRO 20 -12.151 -3.620 -8.533
135 H TYR 21 HN TYR 21 -11.884 -4.816 -4.088
136 HA TYR 21 HA TYR 21 -14.193 -4.071 -2.336
137 1HB TYR 21 HB2 TYR 21 -13.112 -6.827 -3.354
138 2HB TYR 21 HB3 TYR 21 -14.307 -6.784 -2.081
139 HD1 TYR 21 HD1 TYR 21 -15.826 -8.034 -3.013
140 HD2 TYR 21 HD2 TYR 21 -14.593 -4.552 -5.225
141 HE1 TYR 21 HE1 TYR 21 -17.598 -8.427 -4.642
142 HE2 TYR 21 HE2 TYR 21 -16.328 -4.950 -6.860
143 HH TYR 21 HH TYR 21 -18.460 -7.813 -6.646
144 H GLY 22 HN GLY 22 -12.553 -2.849 -0.838
145 1HA GLY 22 HA1 GLY 22 -11.096 -4.893 0.815
146 2HA GLY 22 HA2 GLY 22 -10.285 -3.387 0.288
147 H LYS 23 HN LYS 23 -10.590 -4.527 3.010
148 HA LYS 23 HA LYS 23 -12.315 -2.510 4.288
149 1HB LYS 23 HB3 LYS 23 -11.593 -5.420 5.056
150 2HB LYS 23 HB2 LYS 23 -12.299 -4.242 6.218
151 1HG LYS 23 HG3 LYS 23 -14.347 -4.023 4.821
152 2HG LYS 23 HG2 LYS 23 -13.708 -5.252 3.677
153 1HD LYS 23 HD3 LYS 23 -15.254 -6.322 5.160
154 2HD LYS 23 HD2 LYS 23 -13.609 -6.933 5.537
155 1HE LYS 23 HE3 LYS 23 -13.551 -5.467 7.602
156 2HE LYS 23 HE2 LYS 23 -15.152 -4.763 7.142
157 1HZ LYS 23 HZ1 LYS 23 -14.606 -7.615 7.770
158 2HZ LYS 23 HZ2 LYS 23 -15.349 -6.475 8.786
159 3HZ LYS 23 HZ3 LYS 23 -16.111 -6.952 7.345
160 H CYS 24 HN CYS 24 -11.331 -1.436 6.061
161 HA CYS 24 HA CYS 24 -8.392 -1.507 6.078
162 1HB CYS 24 HB3 CYS 24 -9.867 0.553 5.364
163 2HB CYS 24 HB2 CYS 24 -10.148 0.816 7.088
164 H MET 25 HN MET 25 -7.601 -2.738 7.667
165 HA MET 25 HA MET 25 -8.514 -2.342 10.456
166 1HB MET 25 HB2 MET 25 -7.972 -5.062 9.055
167 2HB MET 25 HB3 MET 25 -8.033 -4.860 10.835
168 1HG MET 25 HG2 MET 25 -10.349 -4.225 8.944
169 2HG MET 25 HG3 MET 25 -10.121 -5.785 9.774
170 1HE MET 25 HE1 MET 25 -9.279 -5.427 12.645
171 2HE MET 25 HE2 MET 25 -10.879 -5.258 13.440
172 3HE MET 25 HE3 MET 25 -10.685 -6.372 12.048
173 H ASN 26 HN ASN 26 -6.713 -1.725 11.634
174 HA ASN 26 HA ASN 26 -4.678 -0.944 12.011
175 1HB ASN 26 HB2 ASN 26 -4.022 -3.822 11.150
176 2HB ASN 26 HB3 ASN 26 -2.723 -2.745 11.783
177 1HD2 ASN 26 HD2 ASN 26 -2.913 -1.846 13.889
178 2HD2 ASN 26 HD2 ASN 26 -4.070 -2.459 15.044
179 H ARG 27 HN ARG 27 -5.587 0.069 9.743
180 HA ARG 27 HA ARG 27 -5.335 1.156 7.918
181 1HB ARG 27 HB2 ARG 27 -3.378 2.635 7.573
182 2HB ARG 27 HB3 ARG 27 -4.321 2.826 9.059
183 1HG ARG 27 HG3 ARG 27 -1.881 1.053 9.142
184 2HG ARG 27 HG2 ARG 27 -1.659 2.833 9.025
185 1HD ARG 27 HD2 ARG 27 -2.933 3.205 11.145
186 2HD ARG 27 HD3 ARG 27 -3.278 1.433 11.286
187 HE ARG 27 HE ARG 27 -0.445 2.424 10.991
188 1HH1 ARG 27 HH1 ARG 27 -2.806 1.041 13.060
189 2HH1 ARG 27 HH1 ARG 27 -1.641 0.492 14.244
190 1HH2 ARG 27 HH2 ARG 27 1.034 1.605 12.362
191 2HH2 ARG 27 HH2 ARG 27 0.554 0.586 13.687
192 H LYS 28 HN LYS 28 -4.809 -1.658 7.667
193 HA LYS 28 HA LYS 28 -3.399 -1.720 5.060
194 1HB LYS 28 HB2 LYS 28 -3.776 -3.934 7.206
195 2HB LYS 28 HB3 LYS 28 -3.204 -4.278 5.567
196 1HG LYS 28 HG3 LYS 28 -1.769 -2.432 7.549
197 2HG LYS 28 HG2 LYS 28 -1.396 -4.153 7.212
198 1HD LYS 28 HD3 LYS 28 -1.160 -1.862 5.143
199 2HD LYS 28 HD2 LYS 28 0.175 -2.691 6.008
200 1HE LYS 28 HE3 LYS 28 -0.446 -4.867 4.883
201 2HE LYS 28 HE2 LYS 28 -1.768 -4.015 3.988
202 1HZ LYS 28 HZ1 LYS 28 -0.136 -2.608 2.968
203 2HZ LYS 28 HZ2 LYS 28 1.124 -3.392 3.795
204 3HZ LYS 28 HZ3 LYS 28 0.186 -4.248 2.666
205 H CYS 29 HN CYS 29 -4.372 -2.560 3.277
206 HA CYS 29 HA CYS 29 -7.239 -2.921 3.390
207 1HB CYS 29 HB3 CYS 29 -5.871 -3.211 0.688
208 2HB CYS 29 HB2 CYS 29 -7.370 -2.476 1.242
209 H LYS 30 HN LYS 30 -7.851 -4.778 4.124
210 HA LYS 30 HA LYS 30 -6.750 -7.356 3.299
211 1HB LYS 30 HB3 LYS 30 -8.989 -6.629 5.305
212 2HB LYS 30 HB2 LYS 30 -8.231 -8.243 5.101
213 1HG LYS 30 HG2 LYS 30 -6.809 -5.678 6.095
214 2HG LYS 30 HG3 LYS 30 -7.440 -6.986 7.134
215 1HD LYS 30 HD3 LYS 30 -5.261 -7.429 4.988
216 2HD LYS 30 HD2 LYS 30 -4.903 -6.966 6.676
217 1HE LYS 30 HE2 LYS 30 -6.447 -9.542 5.960
218 2HE LYS 30 HE3 LYS 30 -4.666 -9.429 6.256
219 1HZ LYS 30 HZ1 LYS 30 -5.858 -10.078 8.216
220 2HZ LYS 30 HZ2 LYS 30 -5.114 -8.568 8.442
221 3HZ LYS 30 HZ3 LYS 30 -6.791 -8.660 8.184
222 H CYS 31 HN CYS 31 -7.425 -7.851 1.243
223 HA CYS 31 HA CYS 31 -9.897 -6.648 0.289
224 1HB CYS 31 HB3 CYS 31 -7.440 -6.316 -0.636
225 2HB CYS 31 HB2 CYS 31 -7.772 -7.807 -1.527
226 H ASN 32 HN ASN 32 -11.454 -7.552 -0.987
227 HA ASN 32 HA ASN 32 -11.797 -10.507 -0.931
228 1HB ASN 32 HB3 ASN 32 -13.698 -8.111 -0.712
229 2HB ASN 32 HB2 ASN 32 -14.359 -9.464 -1.634
230 1HD2 ASN 32 HD2 ASN 32 -15.397 -11.133 -0.393
231 2HD2 ASN 32 HD2 ASN 32 -15.173 -11.168 1.347
232 H ARG 33 HN ARG 33 -13.044 -11.333 -2.542
233 HA ARG 33 HA ARG 33 -11.867 -11.099 -5.102
234 1HB ARG 33 HB3 ARG 33 -13.421 -13.417 -4.928
235 2HB ARG 33 HB2 ARG 33 -11.811 -13.219 -4.225
236 1HG ARG 33 HG3 ARG 33 -13.175 -14.381 -2.757
237 2HG ARG 33 HG2 ARG 33 -12.911 -12.851 -1.924
238 1HD ARG 33 HD2 ARG 33 -15.468 -13.817 -3.411
239 2HD ARG 33 HD3 ARG 33 -15.164 -13.826 -1.619
240 HE ARG 33 HE ARG 33 -15.092 -11.155 -3.055
241 1HH1 ARG 33 HH1 ARG 33 -17.235 -13.353 -1.340
242 2HH1 ARG 33 HH1 ARG 33 -18.575 -12.288 -1.587
243 1HH2 ARG 33 HH2 ARG 33 -16.720 -10.065 -3.459
244 2HH2 ARG 33 HH2 ARG 33 -18.229 -10.304 -2.590
245 H CYS 34 HN CYS 34 -13.110 -11.179 -7.146
246 HA CYS 34 HA CYS 34 -15.905 -10.772 -7.167
247 1HB CYS 34 HB3 CYS 34 -15.997 -8.642 -8.253
248 2HB CYS 34 HB2 CYS 34 -14.973 -8.379 -6.818
249 1HN NH2 35 HT1 CYS 34 -16.537 -10.959 -9.647
250 2HN NH2 35 HT2 CYS 34 -15.382 -11.799 -10.654