Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15375 | 1y1c RC | 6387 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 -6.644 10.325 -6.437
2 2H LYS 1 2HT LYS 1 -6.405 10.043 -8.113
3 3H LYS 1 3HT LYS 1 -5.562 9.100 -6.953
4 HA LYS 1 HA LYS 1 -8.228 8.866 -7.968
5 1HB LYS 1 2HB LYS 1 -6.274 7.010 -6.588
6 2HB LYS 1 1HB LYS 1 -7.773 6.508 -7.356
7 1HG LYS 1 2HG LYS 1 -5.643 7.960 -8.884
8 2HG LYS 1 1HG LYS 1 -5.598 6.211 -8.658
9 1HD LYS 1 2HD LYS 1 -8.197 7.205 -9.546
10 2HD LYS 1 1HD LYS 1 -6.892 7.529 -10.688
11 1HE LYS 1 2HE LYS 1 -7.413 5.447 -11.408
12 2HE LYS 1 1HE LYS 1 -6.329 4.979 -10.100
13 1HZ LYS 1 1HZ LYS 1 -9.255 4.821 -10.235
14 2HZ LYS 1 2HZ LYS 1 -8.530 5.050 -8.724
15 3HZ LYS 1 3HZ LYS 1 -8.141 3.690 -9.651
16 HA PRO 2 HA PRO 2 -10.407 9.218 -4.146
17 1HB PRO 2 2HB PRO 2 -12.450 7.499 -4.544
18 2HB PRO 2 1HB PRO 2 -12.319 9.028 -5.424
19 1HG PRO 2 2HG PRO 2 -11.574 6.265 -6.312
20 2HG PRO 2 1HG PRO 2 -12.437 7.531 -7.205
21 1HD PRO 2 2HD PRO 2 -9.791 7.026 -7.555
22 2HD PRO 2 1HD PRO 2 -10.495 8.643 -7.752
23 H ASP 3 H ASP 3 -11.445 7.772 -2.396
24 HA ASP 3 HA ASP 3 -9.441 6.044 -1.392
25 1HB ASP 3 2HB ASP 3 -12.309 6.246 -0.454
26 2HB ASP 3 1HB ASP 3 -10.932 5.655 0.470
27 H ALA 4 H ALA 4 -9.073 3.978 -1.803
28 HA ALA 4 HA ALA 4 -11.244 2.373 -2.986
29 1HB ALA 4 1HB ALA 4 -8.376 1.646 -3.358
30 2HB ALA 4 2HB ALA 4 -9.056 2.967 -4.309
31 3HB ALA 4 3HB ALA 4 -9.759 1.352 -4.412
32 HA PRO 5 HA PRO 5 -11.198 0.201 0.955
33 1HB PRO 5 2HB PRO 5 -12.317 -1.831 -0.944
34 2HB PRO 5 1HB PRO 5 -12.867 -1.389 0.679
35 1HG PRO 5 2HG PRO 5 -14.129 -0.474 -1.487
36 2HG PRO 5 1HG PRO 5 -13.906 0.549 -0.057
37 1HD PRO 5 2HD PRO 5 -12.562 0.675 -2.696
38 2HD PRO 5 1HD PRO 5 -12.864 1.967 -1.518
39 H CYS 6 H CYS 6 -9.715 -1.144 1.845
40 HA CYS 6 HA CYS 6 -7.748 -2.303 0.042
41 1HB CYS 6 2HB CYS 6 -6.575 -2.774 2.336
42 2HB CYS 6 1HB CYS 6 -6.593 -1.154 1.658
43 H ILE 7 H ILE 7 -9.808 -3.730 -0.352
44 HA ILE 7 HA ILE 7 -9.261 -6.232 1.078
45 HB ILE 7 HB ILE 7 -11.977 -5.154 0.350
46 1HG1 ILE 7 2HG1 ILE 7 -11.927 -6.151 2.974
47 2HG1 ILE 7 1HG1 ILE 7 -10.419 -5.262 2.788
48 1HG2 ILE 7 1HG2 ILE 7 -12.536 -7.280 -0.060
49 2HG2 ILE 7 2HG2 ILE 7 -12.339 -7.557 1.671
50 3HG2 ILE 7 3HG2 ILE 7 -11.002 -7.881 0.568
51 1HD1 ILE 7 1HD1 ILE 7 -13.152 -4.158 2.197
52 2HD1 ILE 7 2HD1 ILE 7 -11.624 -3.278 2.151
53 3HD1 ILE 7 3HD1 ILE 7 -12.244 -3.889 3.684
54 H CYS 8 H CYS 8 -7.899 -5.865 -1.045
55 HA CYS 8 HA CYS 8 -9.232 -6.543 -3.494
56 1HB CYS 8 2HB CYS 8 -6.520 -5.828 -2.609
57 2HB CYS 8 1HB CYS 8 -6.563 -6.958 -3.954
58 H THR 9 H THR 9 -7.218 -8.152 -1.124
59 HA THR 9 HA THR 9 -8.351 -10.690 -1.551
60 HB THR 9 HB THR 9 -7.071 -10.691 -3.608
61 HG1 THR 9 1HG THR 9 -5.739 -12.515 -3.161
62 1HG2 THR 9 1HG2 THR 9 -5.125 -9.282 -2.146
63 2HG2 THR 9 2HG2 THR 9 -5.104 -9.727 -3.852
64 3HG2 THR 9 3HG2 THR 9 -4.403 -10.809 -2.652
65 H MET 10 H MET 10 -6.306 -12.319 -0.782
66 HA MET 10 HA MET 10 -5.350 -11.144 1.736
67 1HB MET 10 2HB MET 10 -7.110 -13.398 1.372
68 2HB MET 10 1HB MET 10 -5.606 -13.939 2.105
69 1HG MET 10 2HG MET 10 -7.350 -11.717 3.144
70 2HG MET 10 1HG MET 10 -7.306 -13.363 3.766
71 1HE MET 10 1HE MET 10 -5.983 -11.507 6.604
72 2HE MET 10 2HE MET 10 -5.671 -13.238 6.477
73 3HE MET 10 3HE MET 10 -7.184 -12.568 5.866
74 H GLN 11 H GLN 11 -4.310 -11.707 -1.054
75 HA GLN 11 HA GLN 11 -2.285 -13.696 -0.796
76 1HB GLN 11 2HB GLN 11 -3.424 -12.427 -2.902
77 2HB GLN 11 1HB GLN 11 -1.925 -11.519 -2.767
78 1HG GLN 11 2HG GLN 11 -1.182 -13.131 -4.150
79 2HG GLN 11 1HG GLN 11 -0.930 -13.993 -2.632
80 1HE2 GLN 11 1HE2 GLN 11 -3.082 -15.106 -1.886
81 2HE2 GLN 11 2HE2 GLN 11 -3.843 -16.068 -3.102
82 H TYR 12 H TYR 12 -1.878 -12.501 1.411
83 HA TYR 12 HA TYR 12 -0.693 -10.286 2.053
84 1HB TYR 12 2HB TYR 12 -0.722 -12.490 3.367
85 2HB TYR 12 1HB TYR 12 0.864 -12.786 2.663
86 HD1 TYR 12 1HD TYR 12 -0.819 -9.804 4.192
87 HD2 TYR 12 2HD TYR 12 2.561 -12.390 4.162
88 HE1 TYR 12 1HE TYR 12 0.220 -8.460 5.971
89 HE2 TYR 12 2HE TYR 12 3.606 -11.053 5.941
90 HH TYR 12 HH TYR 12 3.067 -8.212 6.666
91 H ASP 13 H ASP 13 0.120 -9.214 0.198
92 HA ASP 13 HA ASP 13 2.854 -10.024 -0.551
93 1HB ASP 13 2HB ASP 13 0.611 -9.385 -2.195
94 2HB ASP 13 1HB ASP 13 1.792 -8.091 -2.375
95 HA PRO 14 HA PRO 14 2.734 -6.188 2.164
96 1HB PRO 14 2HB PRO 14 5.188 -6.927 3.263
97 2HB PRO 14 1HB PRO 14 3.600 -7.171 3.996
98 1HG PRO 14 2HG PRO 14 5.279 -9.081 2.429
99 2HG PRO 14 1HG PRO 14 4.254 -9.384 3.845
100 1HD PRO 14 2HD PRO 14 3.442 -10.078 1.401
101 2HD PRO 14 1HD PRO 14 2.296 -9.395 2.577
102 H VAL 15 H VAL 15 3.090 -4.786 0.487
103 HA VAL 15 HA VAL 15 5.757 -4.671 -0.695
104 HB VAL 15 HB VAL 15 4.766 -3.176 -2.326
105 1HG1 VAL 15 1HG1 VAL 15 4.036 -5.887 -1.955
106 2HG1 VAL 15 2HG1 VAL 15 4.204 -4.994 -3.466
107 3HG1 VAL 15 3HG1 VAL 15 2.650 -5.033 -2.633
108 1HG2 VAL 15 1HG2 VAL 15 2.400 -2.625 -2.320
109 2HG2 VAL 15 2HG2 VAL 15 3.171 -2.050 -0.843
110 3HG2 VAL 15 3HG2 VAL 15 2.186 -3.513 -0.812
111 H CYS 16 H CYS 16 7.143 -3.231 -0.126
112 HA CYS 16 HA CYS 16 6.542 -1.336 1.923
113 1HB CYS 16 2HB CYS 16 8.810 -2.674 0.971
114 2HB CYS 16 1HB CYS 16 9.101 -0.967 0.730
115 H GLY 17 H GLY 17 5.816 0.648 1.639
116 1HA GLY 17 2HA GLY 17 6.260 1.861 -1.000
117 2HA GLY 17 1HA GLY 17 4.843 2.161 -0.017
118 H SER 18 H SER 18 6.931 3.859 -1.244
119 HA SER 18 HA SER 18 8.751 4.997 0.363
120 1HB SER 18 2HB SER 18 8.335 5.819 -1.900
121 2HB SER 18 1HB SER 18 6.786 6.488 -1.393
122 HG SER 18 HG SER 18 8.068 7.771 0.135
123 H ASP 19 H ASP 19 8.441 5.024 2.420
124 HA ASP 19 HA ASP 19 7.489 7.079 3.856
125 1HB ASP 19 2HB ASP 19 5.233 6.907 3.254
126 2HB ASP 19 1HB ASP 19 5.276 5.147 3.218
127 H GLY 20 H GLY 20 8.018 3.710 3.489
128 1HA GLY 20 2HA GLY 20 9.438 2.447 4.872
129 2HA GLY 20 1HA GLY 20 9.120 3.573 6.187
130 H ILE 21 H ILE 21 6.495 2.389 4.248
131 HA ILE 21 HA ILE 21 5.708 0.692 6.537
132 HB ILE 21 HB ILE 21 4.050 2.518 4.826
133 1HG1 ILE 21 2HG1 ILE 21 3.405 3.501 6.848
134 2HG1 ILE 21 1HG1 ILE 21 3.818 2.071 7.787
135 1HG2 ILE 21 1HG2 ILE 21 2.051 1.446 5.986
136 2HG2 ILE 21 2HG2 ILE 21 3.122 0.086 6.325
137 3HG2 ILE 21 3HG2 ILE 21 2.784 0.546 4.657
138 1HD1 ILE 21 1HD1 ILE 21 5.310 4.138 7.979
139 2HD1 ILE 21 2HD1 ILE 21 5.930 3.665 6.396
140 3HD1 ILE 21 3HD1 ILE 21 6.083 2.567 7.767
141 H THR 22 H THR 22 5.454 -1.390 6.146
142 HA THR 22 HA THR 22 5.476 -2.355 3.405
143 HB THR 22 HB THR 22 5.256 -4.091 5.854
144 HG1 THR 22 1HG THR 22 7.347 -2.479 5.115
145 1HG2 THR 22 1HG2 THR 22 6.781 -4.581 3.318
146 2HG2 THR 22 2HG2 THR 22 5.097 -5.058 3.536
147 3HG2 THR 22 3HG2 THR 22 6.349 -5.737 4.578
148 H TYR 23 H TYR 23 3.529 -1.984 2.511
149 HA TYR 23 HA TYR 23 1.076 -2.424 3.931
150 1HB TYR 23 2HB TYR 23 1.519 -1.888 0.997
151 2HB TYR 23 1HB TYR 23 0.023 -1.661 1.898
152 HD1 TYR 23 1HD TYR 23 -0.075 0.121 3.672
153 HD2 TYR 23 2HD TYR 23 3.207 -0.236 0.990
154 HE1 TYR 23 1HE TYR 23 0.630 2.408 4.234
155 HE2 TYR 23 2HE TYR 23 3.919 2.051 1.547
156 HH TYR 23 HH TYR 23 3.278 3.989 2.543
157 H GLY 24 H GLY 24 -0.014 -4.236 4.103
158 1HA GLY 24 2HA GLY 24 0.694 -6.746 3.468
159 2HA GLY 24 1HA GLY 24 -0.992 -6.257 3.531
160 H ASN 25 H ASN 25 -0.588 -4.424 1.273
161 HA ASN 25 HA ASN 25 0.304 -5.798 -0.997
162 1HB ASN 25 2HB ASN 25 -2.128 -6.071 -1.981
163 2HB ASN 25 1HB ASN 25 -1.369 -7.358 -1.052
164 1HD2 ASN 25 1HD2 ASN 25 -2.902 -8.326 0.076
165 2HD2 ASN 25 2HD2 ASN 25 -4.108 -7.536 1.023
166 H ALA 26 H ALA 26 -0.117 -4.685 -2.977
167 HA ALA 26 HA ALA 26 0.120 -1.961 -2.867
168 1HB ALA 26 1HB ALA 26 -1.206 -3.329 -5.192
169 2HB ALA 26 2HB ALA 26 0.515 -3.508 -4.850
170 3HB ALA 26 3HB ALA 26 -0.152 -1.915 -5.203
171 H CYS 27 H CYS 27 -2.730 -3.852 -2.583
172 HA CYS 27 HA CYS 27 -4.520 -1.647 -3.126
173 1HB CYS 27 2HB CYS 27 -4.899 -4.524 -2.357
174 2HB CYS 27 1HB CYS 27 -6.235 -3.383 -2.241
175 H MET 28 H MET 28 -3.457 -3.545 -0.309
176 HA MET 28 HA MET 28 -4.878 -2.229 1.690
177 1HB MET 28 2HB MET 28 -2.118 -3.369 1.524
178 2HB MET 28 1HB MET 28 -2.594 -2.485 2.963
179 1HG MET 28 2HG MET 28 -4.631 -4.371 2.335
180 2HG MET 28 1HG MET 28 -3.071 -5.191 2.346
181 1HE MET 28 1HE MET 28 -4.965 -2.945 5.887
182 2HE MET 28 2HE MET 28 -5.905 -3.627 4.560
183 3HE MET 28 3HE MET 28 -4.798 -2.289 4.259
184 H LEU 29 H LEU 29 -2.133 -1.436 -0.230
185 HA LEU 29 HA LEU 29 -1.222 0.930 0.893
186 1HB LEU 29 2HB LEU 29 -0.896 -0.594 -1.478
187 2HB LEU 29 1HB LEU 29 -1.189 1.054 -1.966
188 HG LEU 29 HG LEU 29 1.130 -0.103 -0.511
189 1HD1 LEU 29 1HD1 LEU 29 1.612 0.309 -2.732
190 2HD1 LEU 29 2HD1 LEU 29 2.171 1.794 -1.959
191 3HD1 LEU 29 3HD1 LEU 29 0.616 1.762 -2.787
192 1HD2 LEU 29 1HD2 LEU 29 0.491 1.499 1.114
193 2HD2 LEU 29 2HD2 LEU 29 0.072 2.688 -0.115
194 3HD2 LEU 29 3HD2 LEU 29 1.760 2.252 0.154
195 H LEU 30 H LEU 30 -3.595 0.313 -1.629
196 HA LEU 30 HA LEU 30 -4.392 2.873 -2.213
197 1HB LEU 30 2HB LEU 30 -5.765 0.227 -2.227
198 2HB LEU 30 1HB LEU 30 -6.757 1.657 -2.397
199 HG LEU 30 HG LEU 30 -4.394 1.080 -4.166
200 1HD1 LEU 30 1HD1 LEU 30 -5.981 0.263 -5.824
201 2HD1 LEU 30 2HD1 LEU 30 -7.299 0.439 -4.665
202 3HD1 LEU 30 3HD1 LEU 30 -6.015 -0.734 -4.370
203 1HD2 LEU 30 1HD2 LEU 30 -4.836 3.297 -4.497
204 2HD2 LEU 30 2HD2 LEU 30 -6.542 3.136 -4.077
205 3HD2 LEU 30 3HD2 LEU 30 -5.968 2.593 -5.654
206 H CYS 31 H CYS 31 -5.010 0.913 0.618
207 HA CYS 31 HA CYS 31 -7.047 2.655 1.692
208 1HB CYS 31 2HB CYS 31 -5.798 0.190 2.470
209 2HB CYS 31 1HB CYS 31 -5.712 1.322 3.810
210 H ALA 32 H ALA 32 -3.584 2.338 1.864
211 HA ALA 32 HA ALA 32 -3.125 4.209 3.932
212 1HB ALA 32 1HB ALA 32 -1.278 3.348 1.717
213 2HB ALA 32 2HB ALA 32 -1.498 2.500 3.247
214 3HB ALA 32 3HB ALA 32 -0.809 4.124 3.230
215 H SER 33 H SER 33 -2.680 4.484 0.422
216 HA SER 33 HA SER 33 -2.207 7.252 0.397
217 1HB SER 33 2HB SER 33 -2.717 5.152 -1.580
218 2HB SER 33 1HB SER 33 -3.363 6.721 -2.061
219 HG SER 33 HG SER 33 -1.183 6.431 -2.718
220 H ALA 34 H ALA 34 -5.061 5.462 0.906
221 HA ALA 34 HA ALA 34 -6.829 7.599 0.042
222 1HB ALA 34 1HB ALA 34 -7.421 5.262 -0.411
223 2HB ALA 34 2HB ALA 34 -8.639 6.086 0.563
224 3HB ALA 34 3HB ALA 34 -7.512 4.964 1.324
225 H ARG 35 H ARG 35 -5.763 6.115 3.082
226 HA ARG 35 HA ARG 35 -6.729 8.476 4.494
227 1HB ARG 35 2HB ARG 35 -7.803 6.973 6.239
228 2HB ARG 35 1HB ARG 35 -8.662 7.156 4.716
229 1HG ARG 35 2HG ARG 35 -8.787 4.875 5.248
230 2HG ARG 35 1HG ARG 35 -7.557 5.001 3.989
231 1HD ARG 35 2HD ARG 35 -6.891 3.495 5.825
232 2HD ARG 35 1HD ARG 35 -5.798 4.865 5.635
233 HE ARG 35 HE ARG 35 -7.892 5.251 7.588
234 1HH1 ARG 35 1HH1 ARG 35 -4.643 4.143 7.002
235 2HH1 ARG 35 2HH1 ARG 35 -4.139 4.342 8.647
236 1HH2 ARG 35 1HH2 ARG 35 -7.237 5.521 9.757
237 2HH2 ARG 35 2HH2 ARG 35 -5.614 5.121 10.214
238 H SER 36 H SER 36 -4.069 7.726 4.035
239 HA SER 36 HA SER 36 -3.151 6.565 6.553
240 1HB SER 36 2HB SER 36 -2.178 5.738 4.439
241 2HB SER 36 1HB SER 36 -1.560 7.351 4.103
242 HG SER 36 HG SER 36 -0.659 5.443 5.896
243 H ASP 37 H ASP 37 -1.600 9.093 4.641
244 HA ASP 37 HA ASP 37 -2.122 11.249 6.358
245 1HB ASP 37 2HB ASP 37 0.400 11.333 7.148
246 2HB ASP 37 1HB ASP 37 -0.811 10.457 8.078
247 H THR 38 H THR 38 0.146 9.701 4.172
248 HA THR 38 HA THR 38 0.214 12.121 2.554
249 HB THR 38 HB THR 38 2.859 11.032 2.551
250 HG1 THR 38 1HG THR 38 3.431 11.110 4.623
251 1HG2 THR 38 1HG2 THR 38 3.438 13.172 2.456
252 2HG2 THR 38 2HG2 THR 38 2.557 13.564 3.934
253 3HG2 THR 38 3HG2 THR 38 1.711 13.518 2.388
254 HA PRO 39 HA PRO 39 -0.117 9.281 -0.782
255 1HB PRO 39 2HB PRO 39 1.325 10.542 -2.726
256 2HB PRO 39 1HB PRO 39 -0.289 11.056 -2.221
257 1HG PRO 39 2HG PRO 39 2.382 12.142 -1.416
258 2HG PRO 39 1HG PRO 39 0.900 13.020 -1.839
259 1HD PRO 39 2HD PRO 39 1.660 12.651 0.719
260 2HD PRO 39 1HD PRO 39 -0.050 12.669 0.240
261 H ILE 40 H ILE 40 1.226 7.679 0.409
262 HA ILE 40 HA ILE 40 3.984 7.466 0.228
263 HB ILE 40 HB ILE 40 3.747 5.154 0.751
264 1HG1 ILE 40 2HG1 ILE 40 2.205 4.454 -0.968
265 2HG1 ILE 40 1HG1 ILE 40 1.543 4.011 0.602
266 1HG2 ILE 40 1HG2 ILE 40 3.140 5.927 2.753
267 2HG2 ILE 40 2HG2 ILE 40 1.492 5.490 2.302
268 3HG2 ILE 40 3HG2 ILE 40 2.069 7.138 2.050
269 1HD1 ILE 40 1HD1 ILE 40 0.106 6.009 0.522
270 2HD1 ILE 40 2HD1 ILE 40 -0.207 4.868 -0.787
271 3HD1 ILE 40 3HD1 ILE 40 0.713 6.341 -1.100
272 H GLU 41 H GLU 41 5.147 5.695 -1.080
273 HA GLU 41 HA GLU 41 4.017 5.322 -3.749
274 1HB GLU 41 2HB GLU 41 6.342 7.090 -3.145
275 2HB GLU 41 1HB GLU 41 6.372 6.143 -4.627
276 1HG GLU 41 2HG GLU 41 4.404 7.181 -5.436
277 2HG GLU 41 1HG GLU 41 4.090 7.943 -3.878
278 H LEU 42 H LEU 42 4.103 3.142 -3.708
279 HA LEU 42 HA LEU 42 5.661 1.356 -2.536
280 1HB LEU 42 2HB LEU 42 4.182 1.363 -4.941
281 2HB LEU 42 1HB LEU 42 5.683 0.527 -5.255
282 HG LEU 42 HG LEU 42 3.565 -0.780 -4.422
283 1HD1 LEU 42 1HD1 LEU 42 5.846 -1.686 -2.852
284 2HD1 LEU 42 2HD1 LEU 42 6.253 -1.302 -4.525
285 3HD1 LEU 42 3HD1 LEU 42 4.988 -2.479 -4.173
286 1HD2 LEU 42 1HD2 LEU 42 3.733 0.884 -2.319
287 2HD2 LEU 42 2HD2 LEU 42 4.721 -0.450 -1.729
288 3HD2 LEU 42 3HD2 LEU 42 3.054 -0.742 -2.222
289 H VAL 43 H VAL 43 7.616 0.309 -2.800
290 HA VAL 43 HA VAL 43 9.543 1.477 -4.666
291 HB VAL 43 HB VAL 43 10.348 1.184 -1.793
292 1HG1 VAL 43 1HG1 VAL 43 11.483 2.377 -4.269
293 2HG1 VAL 43 2HG1 VAL 43 12.271 1.433 -3.005
294 3HG1 VAL 43 3HG1 VAL 43 11.876 3.128 -2.721
295 1HG2 VAL 43 1HG2 VAL 43 8.978 3.509 -3.100
296 2HG2 VAL 43 2HG2 VAL 43 10.053 3.721 -1.716
297 3HG2 VAL 43 3HG2 VAL 43 8.605 2.725 -1.564
298 H HIS 44 H HIS 44 8.821 -1.019 -2.277
299 HA HIS 44 HA HIS 44 10.279 -2.922 -3.893
300 1HB HIS 44 2HB HIS 44 11.022 -3.587 -1.257
301 2HB HIS 44 1HB HIS 44 12.070 -3.075 -2.575
302 HD1 HIS 44 1HD HIS 44 12.536 -0.437 -2.707
303 HD2 HIS 44 2HD HIS 44 10.771 -1.813 0.792
304 HE1 HIS 44 1HE HIS 44 12.837 1.416 -1.034
305 HE2 HIS 44 2HE HIS 44 11.755 0.568 1.076
306 H LYS 45 H LYS 45 9.018 -4.601 -4.175
307 HA LYS 45 HA LYS 45 6.646 -5.007 -2.667
308 1HB LYS 45 2HB LYS 45 8.032 -6.731 -4.722
309 2HB LYS 45 1HB LYS 45 6.454 -7.097 -4.039
310 1HG LYS 45 2HG LYS 45 5.851 -4.700 -4.863
311 2HG LYS 45 1HG LYS 45 7.247 -4.925 -5.921
312 1HD LYS 45 2HD LYS 45 6.256 -6.661 -7.079
313 2HD LYS 45 1HD LYS 45 5.169 -7.066 -5.748
314 1HE LYS 45 2HE LYS 45 3.698 -6.064 -7.189
315 2HE LYS 45 1HE LYS 45 4.206 -4.670 -6.235
316 1HZ LYS 45 1HZ LYS 45 4.774 -5.325 -9.015
317 2HZ LYS 45 2HZ LYS 45 6.028 -4.599 -8.145
318 3HZ LYS 45 3HZ LYS 45 4.535 -3.817 -8.285
319 H GLY 46 H GLY 46 7.995 -5.063 -0.573
320 1HA GLY 46 2HA GLY 46 7.832 -7.636 0.529
321 2HA GLY 46 1HA GLY 46 9.515 -7.313 0.130
322 H ARG 47 H ARG 47 9.883 -7.467 2.460
323 HA ARG 47 HA ARG 47 8.818 -5.266 4.038
324 1HB ARG 47 2HB ARG 47 10.832 -7.265 5.032
325 2HB ARG 47 1HB ARG 47 9.631 -6.368 5.948
326 1HG ARG 47 2HG ARG 47 7.857 -7.707 4.878
327 2HG ARG 47 1HG ARG 47 9.102 -8.645 4.050
328 1HD ARG 47 2HD ARG 47 9.845 -8.640 6.741
329 2HD ARG 47 1HD ARG 47 8.102 -8.891 6.746
330 HE ARG 47 HE ARG 47 10.120 -10.651 5.571
331 1HH1 ARG 47 1HH1 ARG 47 6.750 -10.003 6.242
332 2HH1 ARG 47 2HH1 ARG 47 6.258 -11.639 5.966
333 1HH2 ARG 47 1HH2 ARG 47 9.465 -12.796 5.205
334 2HH2 ARG 47 2HH2 ARG 47 7.795 -13.223 5.380
335 H CYS 48 H CYS 48 10.162 -4.091 2.168
336 HA CYS 48 HA CYS 48 11.991 -2.829 1.597
337 1HB CYS 48 2HB CYS 48 11.477 -2.448 4.500
338 2HB CYS 48 1HB CYS 48 12.877 -1.653 3.789
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 -9.632 4.520 -11.407
2 2H LYS 1 2HT LYS 1 -10.828 5.678 -10.987
3 3H LYS 1 3HT LYS 1 -9.721 5.115 -9.802
4 HA LYS 1 HA LYS 1 -8.255 6.083 -11.935
5 1HB LYS 1 2HB LYS 1 -10.729 7.573 -11.283
6 2HB LYS 1 1HB LYS 1 -9.261 8.535 -11.380
7 1HG LYS 1 2HG LYS 1 -9.729 6.633 -13.587
8 2HG LYS 1 1HG LYS 1 -10.821 8.016 -13.486
9 1HD LYS 1 2HD LYS 1 -8.556 9.336 -13.163
10 2HD LYS 1 1HD LYS 1 -7.889 7.936 -14.005
11 1HE LYS 1 2HE LYS 1 -8.377 9.301 -15.781
12 2HE LYS 1 1HE LYS 1 -9.875 8.379 -15.658
13 1HZ LYS 1 1HZ LYS 1 -10.256 10.494 -13.984
14 2HZ LYS 1 2HZ LYS 1 -10.878 10.343 -15.549
15 3HZ LYS 1 3HZ LYS 1 -9.431 11.179 -15.293
16 HA PRO 2 HA PRO 2 -7.299 8.488 -7.894
17 1HB PRO 2 2HB PRO 2 -9.085 8.427 -5.868
18 2HB PRO 2 1HB PRO 2 -9.181 9.603 -7.183
19 1HG PRO 2 2HG PRO 2 -10.716 7.066 -6.793
20 2HG PRO 2 1HG PRO 2 -11.286 8.645 -7.362
21 1HD PRO 2 2HD PRO 2 -10.728 6.561 -9.031
22 2HD PRO 2 1HD PRO 2 -10.583 8.263 -9.513
23 H ASP 3 H ASP 3 -7.343 7.867 -5.266
24 HA ASP 3 HA ASP 3 -6.831 4.970 -5.153
25 1HB ASP 3 2HB ASP 3 -4.993 5.714 -3.435
26 2HB ASP 3 1HB ASP 3 -4.653 5.755 -5.163
27 H ALA 4 H ALA 4 -7.958 3.974 -3.611
28 HA ALA 4 HA ALA 4 -8.303 5.032 -0.998
29 1HB ALA 4 1HB ALA 4 -10.135 5.978 -2.831
30 2HB ALA 4 2HB ALA 4 -10.308 5.986 -1.076
31 3HB ALA 4 3HB ALA 4 -10.985 4.661 -2.023
32 HA PRO 5 HA PRO 5 -10.770 0.836 -1.501
33 1HB PRO 5 2HB PRO 5 -9.929 0.074 -4.240
34 2HB PRO 5 1HB PRO 5 -11.510 -0.077 -3.466
35 1HG PRO 5 2HG PRO 5 -11.061 1.774 -5.343
36 2HG PRO 5 1HG PRO 5 -12.104 2.107 -3.947
37 1HD PRO 5 2HD PRO 5 -9.282 2.962 -4.454
38 2HD PRO 5 1HD PRO 5 -10.618 3.865 -3.707
39 H CYS 6 H CYS 6 -9.940 -1.446 -1.573
40 HA CYS 6 HA CYS 6 -7.168 -1.892 -2.105
41 1HB CYS 6 2HB CYS 6 -6.494 -2.307 0.245
42 2HB CYS 6 1HB CYS 6 -6.885 -0.617 -0.060
43 H ILE 7 H ILE 7 -8.558 -3.512 -3.274
44 HA ILE 7 HA ILE 7 -8.801 -5.890 -1.583
45 HB ILE 7 HB ILE 7 -10.889 -4.952 -3.535
46 1HG1 ILE 7 2HG1 ILE 7 -10.905 -5.450 -0.551
47 2HG1 ILE 7 1HG1 ILE 7 -11.132 -3.908 -1.371
48 1HG2 ILE 7 1HG2 ILE 7 -10.157 -7.618 -2.625
49 2HG2 ILE 7 2HG2 ILE 7 -11.217 -7.127 -3.945
50 3HG2 ILE 7 3HG2 ILE 7 -11.846 -7.226 -2.301
51 1HD1 ILE 7 1HD1 ILE 7 -13.107 -5.545 -2.418
52 2HD1 ILE 7 2HD1 ILE 7 -13.308 -4.272 -1.214
53 3HD1 ILE 7 3HD1 ILE 7 -13.058 -5.941 -0.700
54 H CYS 8 H CYS 8 -6.613 -5.898 -2.834
55 HA CYS 8 HA CYS 8 -6.854 -6.866 -5.563
56 1HB CYS 8 2HB CYS 8 -4.554 -6.246 -3.725
57 2HB CYS 8 1HB CYS 8 -4.298 -7.166 -5.201
58 H THR 9 H THR 9 -6.034 -7.995 -2.358
59 HA THR 9 HA THR 9 -6.931 -10.624 -2.810
60 HB THR 9 HB THR 9 -4.931 -10.983 -4.043
61 HG1 THR 9 1HG THR 9 -4.343 -12.706 -2.984
62 1HG2 THR 9 1HG2 THR 9 -3.619 -9.409 -1.906
63 2HG2 THR 9 2HG2 THR 9 -3.386 -9.361 -3.654
64 3HG2 THR 9 3HG2 THR 9 -2.700 -10.683 -2.709
65 H MET 10 H MET 10 -7.132 -11.752 -0.902
66 HA MET 10 HA MET 10 -6.467 -10.234 1.509
67 1HB MET 10 2HB MET 10 -8.659 -11.925 0.736
68 2HB MET 10 1HB MET 10 -7.886 -12.601 2.163
69 1HG MET 10 2HG MET 10 -8.292 -9.723 2.333
70 2HG MET 10 1HG MET 10 -9.790 -10.632 2.140
71 1HE MET 10 1HE MET 10 -9.304 -13.402 4.572
72 2HE MET 10 2HE MET 10 -10.215 -12.699 3.236
73 3HE MET 10 3HE MET 10 -10.655 -12.319 4.901
74 H GLN 11 H GLN 11 -4.554 -11.719 -0.183
75 HA GLN 11 HA GLN 11 -3.816 -14.038 1.385
76 1HB GLN 11 2HB GLN 11 -2.799 -12.734 -1.106
77 2HB GLN 11 1HB GLN 11 -1.768 -13.873 -0.251
78 1HG GLN 11 2HG GLN 11 -3.331 -15.635 -0.542
79 2HG GLN 11 1HG GLN 11 -4.567 -14.523 -1.128
80 1HE2 GLN 11 1HE2 GLN 11 -4.847 -15.585 -3.064
81 2HE2 GLN 11 2HE2 GLN 11 -3.658 -15.576 -4.317
82 H TYR 12 H TYR 12 -1.158 -12.141 0.267
83 HA TYR 12 HA TYR 12 -0.653 -10.545 2.496
84 1HB TYR 12 2HB TYR 12 -0.589 -12.924 3.503
85 2HB TYR 12 1HB TYR 12 0.957 -13.077 2.677
86 HD1 TYR 12 1HD TYR 12 2.399 -13.232 4.538
87 HD2 TYR 12 2HD TYR 12 -0.359 -10.003 4.279
88 HE1 TYR 12 1HE TYR 12 3.519 -12.132 6.430
89 HE2 TYR 12 2HE TYR 12 0.754 -8.894 6.170
90 HH TYR 12 HH TYR 12 2.183 -9.640 8.160
91 H ASP 13 H ASP 13 -0.134 -9.493 0.357
92 HA ASP 13 HA ASP 13 2.604 -10.135 -0.513
93 1HB ASP 13 2HB ASP 13 0.269 -9.604 -1.998
94 2HB ASP 13 1HB ASP 13 1.270 -8.164 -2.155
95 HA PRO 14 HA PRO 14 2.735 -6.326 2.166
96 1HB PRO 14 2HB PRO 14 5.143 -6.995 3.295
97 2HB PRO 14 1HB PRO 14 3.568 -7.431 3.967
98 1HG PRO 14 2HG PRO 14 5.431 -9.069 2.292
99 2HG PRO 14 1HG PRO 14 4.490 -9.549 3.718
100 1HD PRO 14 2HD PRO 14 3.688 -10.172 1.232
101 2HD PRO 14 1HD PRO 14 2.522 -9.752 2.504
102 H VAL 15 H VAL 15 3.095 -4.873 0.571
103 HA VAL 15 HA VAL 15 5.753 -4.758 -0.665
104 HB VAL 15 HB VAL 15 4.700 -3.291 -2.313
105 1HG1 VAL 15 1HG1 VAL 15 4.737 -5.719 -2.687
106 2HG1 VAL 15 2HG1 VAL 15 3.344 -4.951 -3.447
107 3HG1 VAL 15 3HG1 VAL 15 3.146 -5.841 -1.938
108 1HG2 VAL 15 1HG2 VAL 15 2.204 -3.097 -2.323
109 2HG2 VAL 15 2HG2 VAL 15 3.009 -2.212 -1.026
110 3HG2 VAL 15 3HG2 VAL 15 2.215 -3.750 -0.685
111 H CYS 16 H CYS 16 7.085 -3.257 -0.118
112 HA CYS 16 HA CYS 16 6.406 -1.348 1.900
113 1HB CYS 16 2HB CYS 16 8.720 -2.621 0.962
114 2HB CYS 16 1HB CYS 16 8.961 -0.909 0.698
115 H GLY 17 H GLY 17 5.637 0.634 1.576
116 1HA GLY 17 2HA GLY 17 5.925 1.742 -1.132
117 2HA GLY 17 1HA GLY 17 4.572 2.068 -0.063
118 H SER 18 H SER 18 6.509 3.768 -1.483
119 HA SER 18 HA SER 18 8.417 4.985 0.011
120 1HB SER 18 2HB SER 18 8.084 5.723 -2.233
121 2HB SER 18 1HB SER 18 6.421 6.199 -1.900
122 HG SER 18 HG SER 18 8.781 7.537 -1.401
123 H ASP 19 H ASP 19 8.111 5.126 2.077
124 HA ASP 19 HA ASP 19 7.162 7.307 3.359
125 1HB ASP 19 2HB ASP 19 4.890 6.804 2.632
126 2HB ASP 19 1HB ASP 19 5.013 5.169 3.273
127 H GLY 20 H GLY 20 7.780 3.932 3.278
128 1HA GLY 20 2HA GLY 20 9.329 2.889 4.729
129 2HA GLY 20 1HA GLY 20 8.914 4.066 5.971
130 H ILE 21 H ILE 21 6.385 2.579 4.114
131 HA ILE 21 HA ILE 21 5.730 0.943 6.494
132 HB ILE 21 HB ILE 21 3.960 2.614 4.746
133 1HG1 ILE 21 2HG1 ILE 21 3.274 3.613 6.719
134 2HG1 ILE 21 1HG1 ILE 21 3.618 2.186 7.686
135 1HG2 ILE 21 1HG2 ILE 21 1.992 1.458 5.773
136 2HG2 ILE 21 2HG2 ILE 21 3.095 0.199 6.327
137 3HG2 ILE 21 3HG2 ILE 21 2.882 0.487 4.600
138 1HD1 ILE 21 1HD1 ILE 21 5.788 3.846 6.455
139 2HD1 ILE 21 2HD1 ILE 21 5.910 2.668 7.763
140 3HD1 ILE 21 3HD1 ILE 21 5.093 4.206 8.035
141 H THR 22 H THR 22 5.252 -1.151 6.235
142 HA THR 22 HA THR 22 5.444 -2.261 3.537
143 HB THR 22 HB THR 22 5.176 -4.046 5.897
144 HG1 THR 22 1HG THR 22 7.054 -3.535 6.754
145 1HG2 THR 22 1HG2 THR 22 7.033 -4.028 3.534
146 2HG2 THR 22 2HG2 THR 22 5.567 -4.995 3.704
147 3HG2 THR 22 3HG2 THR 22 6.945 -5.285 4.768
148 H TYR 23 H TYR 23 3.524 -2.043 2.596
149 HA TYR 23 HA TYR 23 1.052 -2.479 4.002
150 1HB TYR 23 2HB TYR 23 1.544 -1.989 1.067
151 2HB TYR 23 1HB TYR 23 0.025 -1.776 1.936
152 HD1 TYR 23 1HD TYR 23 -0.141 0.012 3.687
153 HD2 TYR 23 2HD TYR 23 3.220 -0.311 1.099
154 HE1 TYR 23 1HE TYR 23 0.533 2.299 4.283
155 HE2 TYR 23 2HE TYR 23 3.900 1.976 1.681
156 HH TYR 23 HH TYR 23 2.368 3.749 4.252
157 H GLY 24 H GLY 24 0.045 -4.320 4.224
158 1HA GLY 24 2HA GLY 24 0.877 -6.808 3.570
159 2HA GLY 24 1HA GLY 24 -0.825 -6.402 3.738
160 H ASN 25 H ASN 25 -0.632 -4.534 1.465
161 HA ASN 25 HA ASN 25 0.089 -6.055 -0.835
162 1HB ASN 25 2HB ASN 25 -2.845 -5.809 -0.146
163 2HB ASN 25 1HB ASN 25 -2.256 -6.216 -1.755
164 1HD2 ASN 25 1HD2 ASN 25 -3.735 -7.585 0.588
165 2HD2 ASN 25 2HD2 ASN 25 -2.981 -9.136 0.658
166 H ALA 26 H ALA 26 0.039 -4.826 -2.733
167 HA ALA 26 HA ALA 26 0.392 -2.102 -2.562
168 1HB ALA 26 1HB ALA 26 1.172 -3.056 -4.527
169 2HB ALA 26 2HB ALA 26 -0.237 -2.150 -5.077
170 3HB ALA 26 3HB ALA 26 -0.346 -3.895 -4.844
171 H CYS 27 H CYS 27 -2.518 -3.907 -2.680
172 HA CYS 27 HA CYS 27 -4.258 -1.720 -3.368
173 1HB CYS 27 2HB CYS 27 -4.540 -4.586 -2.833
174 2HB CYS 27 1HB CYS 27 -5.842 -3.618 -2.153
175 H MET 28 H MET 28 -3.483 -3.610 -0.470
176 HA MET 28 HA MET 28 -4.962 -2.267 1.430
177 1HB MET 28 2HB MET 28 -2.104 -3.253 1.584
178 2HB MET 28 1HB MET 28 -3.065 -2.793 2.976
179 1HG MET 28 2HG MET 28 -4.439 -4.714 1.322
180 2HG MET 28 1HG MET 28 -2.871 -5.309 1.861
181 1HE MET 28 1HE MET 28 -2.808 -6.687 4.269
182 2HE MET 28 2HE MET 28 -3.084 -5.565 5.602
183 3HE MET 28 3HE MET 28 -2.059 -5.090 4.248
184 H LEU 29 H LEU 29 -1.979 -1.511 -0.171
185 HA LEU 29 HA LEU 29 -1.184 0.840 1.044
186 1HB LEU 29 2HB LEU 29 -0.589 -0.635 -1.271
187 2HB LEU 29 1HB LEU 29 -0.924 0.987 -1.814
188 HG LEU 29 HG LEU 29 1.272 0.006 -0.056
189 1HD1 LEU 29 1HD1 LEU 29 1.459 2.229 -2.015
190 2HD1 LEU 29 2HD1 LEU 29 1.267 0.586 -2.623
191 3HD1 LEU 29 3HD1 LEU 29 2.644 0.992 -1.597
192 1HD2 LEU 29 1HD2 LEU 29 1.697 2.477 0.447
193 2HD2 LEU 29 2HD2 LEU 29 0.422 1.680 1.362
194 3HD2 LEU 29 3HD2 LEU 29 0.008 2.730 0.013
195 H LEU 30 H LEU 30 -3.187 0.393 -1.818
196 HA LEU 30 HA LEU 30 -3.903 3.006 -2.279
197 1HB LEU 30 2HB LEU 30 -5.235 0.371 -2.723
198 2HB LEU 30 1HB LEU 30 -6.189 1.821 -2.962
199 HG LEU 30 HG LEU 30 -3.580 1.265 -4.364
200 1HD1 LEU 30 1HD1 LEU 30 -6.295 1.124 -5.622
201 2HD1 LEU 30 2HD1 LEU 30 -5.550 -0.288 -4.874
202 3HD1 LEU 30 3HD1 LEU 30 -4.755 0.514 -6.229
203 1HD2 LEU 30 1HD2 LEU 30 -3.719 3.485 -4.686
204 2HD2 LEU 30 2HD2 LEU 30 -5.432 3.543 -4.268
205 3HD2 LEU 30 3HD2 LEU 30 -4.935 3.048 -5.886
206 H CYS 31 H CYS 31 -4.983 0.754 0.166
207 HA CYS 31 HA CYS 31 -7.120 2.437 1.122
208 1HB CYS 31 2HB CYS 31 -6.102 -0.205 1.670
209 2HB CYS 31 1HB CYS 31 -6.293 0.681 3.179
210 H ALA 32 H ALA 32 -3.738 1.959 1.717
211 HA ALA 32 HA ALA 32 -3.499 3.389 4.141
212 1HB ALA 32 1HB ALA 32 -1.588 2.507 2.025
213 2HB ALA 32 2HB ALA 32 -1.676 2.033 3.721
214 3HB ALA 32 3HB ALA 32 -1.057 3.625 3.281
215 H SER 33 H SER 33 -2.631 4.303 0.814
216 HA SER 33 HA SER 33 -2.071 6.974 1.272
217 1HB SER 33 2HB SER 33 -2.748 5.319 -1.046
218 2HB SER 33 1HB SER 33 -3.268 6.995 -1.223
219 HG SER 33 HG SER 33 -1.242 7.633 -1.278
220 H ALA 34 H ALA 34 -5.133 5.333 1.077
221 HA ALA 34 HA ALA 34 -6.760 7.620 0.665
222 1HB ALA 34 1HB ALA 34 -8.038 5.427 2.094
223 2HB ALA 34 2HB ALA 34 -7.167 4.916 0.647
224 3HB ALA 34 3HB ALA 34 -8.426 6.145 0.531
225 H ARG 35 H ARG 35 -5.641 5.991 3.609
226 HA ARG 35 HA ARG 35 -6.662 8.292 5.132
227 1HB ARG 35 2HB ARG 35 -7.187 6.586 6.988
228 2HB ARG 35 1HB ARG 35 -8.304 6.715 5.636
229 1HG ARG 35 2HG ARG 35 -8.131 4.463 5.711
230 2HG ARG 35 1HG ARG 35 -6.740 4.786 4.677
231 1HD ARG 35 2HD ARG 35 -6.363 3.195 6.610
232 2HD ARG 35 1HD ARG 35 -5.225 4.533 6.462
233 HE ARG 35 HE ARG 35 -6.023 5.398 8.441
234 1HH1 ARG 35 1HH1 ARG 35 -8.109 2.839 7.339
235 2HH1 ARG 35 2HH1 ARG 35 -8.996 2.747 8.824
236 1HH2 ARG 35 1HH2 ARG 35 -7.183 5.285 10.403
237 2HH2 ARG 35 2HH2 ARG 35 -8.471 4.141 10.564
238 H SER 36 H SER 36 -3.963 7.779 4.254
239 HA SER 36 HA SER 36 -2.563 6.886 6.640
240 1HB SER 36 2HB SER 36 -1.752 6.130 4.470
241 2HB SER 36 1HB SER 36 -1.520 7.794 3.947
242 HG SER 36 HG SER 36 -0.156 7.780 6.054
243 H ASP 37 H ASP 37 -1.228 9.434 4.679
244 HA ASP 37 HA ASP 37 -1.982 11.683 6.144
245 1HB ASP 37 2HB ASP 37 -0.072 12.066 7.585
246 2HB ASP 37 1HB ASP 37 -0.790 10.512 7.997
247 H THR 38 H THR 38 0.521 10.008 4.362
248 HA THR 38 HA THR 38 0.903 12.407 2.721
249 HB THR 38 HB THR 38 3.108 10.701 3.890
250 HG1 THR 38 1HG THR 38 3.738 12.614 4.835
251 1HG2 THR 38 1HG2 THR 38 3.311 11.541 1.401
252 2HG2 THR 38 2HG2 THR 38 4.671 11.611 2.521
253 3HG2 THR 38 3HG2 THR 38 3.715 13.059 2.204
254 HA PRO 39 HA PRO 39 0.131 9.752 -0.689
255 1HB PRO 39 2HB PRO 39 1.997 10.850 -2.454
256 2HB PRO 39 1HB PRO 39 0.340 11.413 -2.216
257 1HG PRO 39 2HG PRO 39 2.884 12.456 -1.052
258 2HG PRO 39 1HG PRO 39 1.453 13.344 -1.607
259 1HD PRO 39 2HD PRO 39 1.920 12.969 0.998
260 2HD PRO 39 1HD PRO 39 0.269 12.897 0.345
261 H ILE 40 H ILE 40 0.945 7.799 0.176
262 HA ILE 40 HA ILE 40 3.742 7.167 0.035
263 HB ILE 40 HB ILE 40 3.117 4.987 0.837
264 1HG1 ILE 40 2HG1 ILE 40 0.439 5.777 -0.203
265 2HG1 ILE 40 1HG1 ILE 40 1.267 4.228 -0.300
266 1HG2 ILE 40 1HG2 ILE 40 1.276 6.924 2.218
267 2HG2 ILE 40 2HG2 ILE 40 3.030 6.983 2.382
268 3HG2 ILE 40 3HG2 ILE 40 2.143 5.556 2.918
269 1HD1 ILE 40 1HD1 ILE 40 -0.728 4.114 1.095
270 2HD1 ILE 40 2HD1 ILE 40 -0.056 5.350 2.158
271 3HD1 ILE 40 3HD1 ILE 40 0.733 3.778 2.024
272 H GLU 41 H GLU 41 4.703 5.670 -1.396
273 HA GLU 41 HA GLU 41 3.104 4.640 -3.596
274 1HB GLU 41 2HB GLU 41 4.735 5.665 -5.270
275 2HB GLU 41 1HB GLU 41 3.539 6.745 -4.554
276 1HG GLU 41 2HG GLU 41 5.240 7.411 -2.889
277 2HG GLU 41 1HG GLU 41 6.418 6.459 -3.789
278 H LEU 42 H LEU 42 3.690 2.686 -3.797
279 HA LEU 42 HA LEU 42 5.378 1.066 -2.730
280 1HB LEU 42 2HB LEU 42 4.260 1.154 -5.348
281 2HB LEU 42 1HB LEU 42 5.847 0.434 -5.418
282 HG LEU 42 HG LEU 42 4.147 -1.280 -5.155
283 1HD1 LEU 42 1HD1 LEU 42 6.444 -1.011 -3.656
284 2HD1 LEU 42 2HD1 LEU 42 5.501 -2.486 -3.865
285 3HD1 LEU 42 3HD1 LEU 42 5.221 -1.451 -2.464
286 1HD2 LEU 42 1HD2 LEU 42 2.452 -1.202 -3.679
287 2HD2 LEU 42 2HD2 LEU 42 2.791 0.529 -3.682
288 3HD2 LEU 42 3HD2 LEU 42 3.452 -0.496 -2.408
289 H VAL 43 H VAL 43 7.432 0.361 -2.734
290 HA VAL 43 HA VAL 43 9.441 1.860 -4.241
291 HB VAL 43 HB VAL 43 10.808 1.538 -2.001
292 1HG1 VAL 43 1HG1 VAL 43 9.406 3.896 -1.471
293 2HG1 VAL 43 2HG1 VAL 43 9.356 3.689 -3.221
294 3HG1 VAL 43 3HG1 VAL 43 10.906 3.725 -2.382
295 1HG2 VAL 43 1HG2 VAL 43 7.968 1.834 -1.053
296 2HG2 VAL 43 2HG2 VAL 43 9.398 2.046 -0.043
297 3HG2 VAL 43 3HG2 VAL 43 9.044 0.470 -0.750
298 H HIS 44 H HIS 44 8.689 -0.939 -2.215
299 HA HIS 44 HA HIS 44 10.230 -2.632 -3.963
300 1HB HIS 44 2HB HIS 44 10.953 -3.487 -1.354
301 2HB HIS 44 1HB HIS 44 12.007 -2.938 -2.652
302 HD1 HIS 44 1HD HIS 44 12.654 -0.386 -2.633
303 HD2 HIS 44 2HD HIS 44 10.640 -1.737 0.737
304 HE1 HIS 44 1HE HIS 44 12.979 1.401 -0.899
305 HE2 HIS 44 2HE HIS 44 11.644 0.627 1.086
306 H LYS 45 H LYS 45 9.139 -4.422 -4.317
307 HA LYS 45 HA LYS 45 6.692 -4.958 -2.974
308 1HB LYS 45 2HB LYS 45 8.126 -5.965 -5.297
309 2HB LYS 45 1HB LYS 45 7.336 -7.256 -4.403
310 1HG LYS 45 2HG LYS 45 5.222 -6.403 -4.778
311 2HG LYS 45 1HG LYS 45 5.826 -4.776 -5.104
312 1HD LYS 45 2HD LYS 45 5.024 -5.971 -7.133
313 2HD LYS 45 1HD LYS 45 6.714 -5.472 -7.228
314 1HE LYS 45 2HE LYS 45 7.191 -7.857 -6.312
315 2HE LYS 45 1HE LYS 45 5.560 -8.209 -6.880
316 1HZ LYS 45 1HZ LYS 45 7.964 -7.938 -8.375
317 2HZ LYS 45 2HZ LYS 45 6.775 -6.883 -8.954
318 3HZ LYS 45 3HZ LYS 45 6.461 -8.543 -8.863
319 H GLY 46 H GLY 46 7.938 -5.010 -0.803
320 1HA GLY 46 2HA GLY 46 7.778 -7.590 0.247
321 2HA GLY 46 1HA GLY 46 9.473 -7.257 -0.094
322 H ARG 47 H ARG 47 9.755 -7.450 2.235
323 HA ARG 47 HA ARG 47 8.642 -5.282 3.821
324 1HB ARG 47 2HB ARG 47 10.607 -7.309 4.843
325 2HB ARG 47 1HB ARG 47 9.343 -6.456 5.720
326 1HG ARG 47 2HG ARG 47 7.820 -8.011 5.257
327 2HG ARG 47 1HG ARG 47 8.311 -8.115 3.566
328 1HD ARG 47 2HD ARG 47 8.677 -10.243 4.659
329 2HD ARG 47 1HD ARG 47 10.223 -9.514 4.228
330 HE ARG 47 HE ARG 47 9.562 -8.801 6.867
331 1HH1 ARG 47 1HH1 ARG 47 10.529 -11.565 4.984
332 2HH1 ARG 47 2HH1 ARG 47 11.326 -12.352 6.306
333 1HH2 ARG 47 1HH2 ARG 47 10.612 -9.827 8.617
334 2HH2 ARG 47 2HH2 ARG 47 11.376 -11.362 8.370
335 H CYS 48 H CYS 48 10.063 -4.100 2.012
336 HA CYS 48 HA CYS 48 11.878 -2.791 1.541
337 1HB CYS 48 2HB CYS 48 11.286 -2.513 4.435
338 2HB CYS 48 1HB CYS 48 12.734 -1.722 3.819
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 -10.059 6.267 -11.806
2 2H LYS 1 2HT LYS 1 -11.067 7.366 -10.955
3 3H LYS 1 3HT LYS 1 -10.045 6.291 -10.092
4 HA LYS 1 HA LYS 1 -8.308 7.545 -11.668
5 1HB LYS 1 2HB LYS 1 -10.699 9.047 -11.720
6 2HB LYS 1 1HB LYS 1 -9.595 9.924 -10.669
7 1HG LYS 1 2HG LYS 1 -8.331 8.999 -13.120
8 2HG LYS 1 1HG LYS 1 -9.693 10.084 -13.406
9 1HD LYS 1 2HD LYS 1 -7.602 10.760 -11.370
10 2HD LYS 1 1HD LYS 1 -7.329 11.092 -13.082
11 1HE LYS 1 2HE LYS 1 -8.938 12.714 -13.165
12 2HE LYS 1 1HE LYS 1 -9.900 11.976 -11.885
13 1HZ LYS 1 1HZ LYS 1 -7.365 13.481 -11.526
14 2HZ LYS 1 2HZ LYS 1 -8.222 12.717 -10.283
15 3HZ LYS 1 3HZ LYS 1 -8.917 14.018 -11.112
16 HA PRO 2 HA PRO 2 -8.275 9.394 -7.092
17 1HB PRO 2 2HB PRO 2 -10.393 7.632 -5.973
18 2HB PRO 2 1HB PRO 2 -10.029 9.324 -5.615
19 1HG PRO 2 2HG PRO 2 -12.142 8.670 -7.099
20 2HG PRO 2 1HG PRO 2 -11.164 10.099 -7.484
21 1HD PRO 2 2HD PRO 2 -11.211 7.420 -8.806
22 2HD PRO 2 1HD PRO 2 -11.032 9.032 -9.529
23 H ASP 3 H ASP 3 -8.170 7.982 -4.813
24 HA ASP 3 HA ASP 3 -7.129 5.320 -5.351
25 1HB ASP 3 2HB ASP 3 -5.006 5.925 -4.057
26 2HB ASP 3 1HB ASP 3 -5.121 6.518 -5.712
27 H ALA 4 H ALA 4 -7.910 4.033 -3.816
28 HA ALA 4 HA ALA 4 -7.709 4.550 -1.057
29 1HB ALA 4 1HB ALA 4 -9.607 5.577 -0.546
30 2HB ALA 4 2HB ALA 4 -10.550 4.384 -1.441
31 3HB ALA 4 3HB ALA 4 -9.895 5.795 -2.272
32 HA PRO 5 HA PRO 5 -10.639 0.610 -1.944
33 1HB PRO 5 2HB PRO 5 -9.813 0.507 -4.821
34 2HB PRO 5 1HB PRO 5 -11.317 -0.036 -4.066
35 1HG PRO 5 2HG PRO 5 -11.204 2.265 -5.417
36 2HG PRO 5 1HG PRO 5 -12.188 2.103 -3.952
37 1HD PRO 5 2HD PRO 5 -9.632 3.546 -4.358
38 2HD PRO 5 1HD PRO 5 -10.929 3.851 -3.188
39 H CYS 6 H CYS 6 -9.654 -1.207 -1.326
40 HA CYS 6 HA CYS 6 -6.957 -1.784 -2.341
41 1HB CYS 6 2HB CYS 6 -6.384 -2.532 0.008
42 2HB CYS 6 1HB CYS 6 -6.575 -0.794 -0.202
43 H ILE 7 H ILE 7 -8.119 -3.326 -3.706
44 HA ILE 7 HA ILE 7 -8.674 -5.804 -2.231
45 HB ILE 7 HB ILE 7 -10.286 -4.797 -4.565
46 1HG1 ILE 7 2HG1 ILE 7 -12.092 -5.115 -2.620
47 2HG1 ILE 7 1HG1 ILE 7 -10.692 -4.760 -1.614
48 1HG2 ILE 7 1HG2 ILE 7 -11.493 -6.993 -3.252
49 2HG2 ILE 7 2HG2 ILE 7 -9.809 -7.420 -3.555
50 3HG2 ILE 7 3HG2 ILE 7 -10.846 -6.922 -4.891
51 1HD1 ILE 7 1HD1 ILE 7 -12.071 -3.023 -3.607
52 2HD1 ILE 7 2HD1 ILE 7 -10.388 -2.726 -3.174
53 3HD1 ILE 7 3HD1 ILE 7 -11.640 -2.684 -1.931
54 H CYS 8 H CYS 8 -6.225 -5.506 -3.242
55 HA CYS 8 HA CYS 8 -6.098 -6.538 -5.946
56 1HB CYS 8 2HB CYS 8 -4.045 -5.819 -3.864
57 2HB CYS 8 1HB CYS 8 -3.602 -6.640 -5.350
58 H THR 9 H THR 9 -5.764 -7.606 -2.670
59 HA THR 9 HA THR 9 -6.268 -10.315 -3.285
60 HB THR 9 HB THR 9 -4.019 -10.440 -4.026
61 HG1 THR 9 1HG THR 9 -4.790 -12.009 -2.378
62 1HG2 THR 9 1HG2 THR 9 -2.336 -9.872 -1.935
63 2HG2 THR 9 2HG2 THR 9 -3.481 -8.531 -1.923
64 3HG2 THR 9 3HG2 THR 9 -2.564 -8.896 -3.384
65 H MET 10 H MET 10 -6.998 -11.355 -1.523
66 HA MET 10 HA MET 10 -6.900 -9.902 1.012
67 1HB MET 10 2HB MET 10 -8.700 -11.957 -0.174
68 2HB MET 10 1HB MET 10 -8.482 -12.002 1.570
69 1HG MET 10 2HG MET 10 -8.989 -9.431 1.364
70 2HG MET 10 1HG MET 10 -9.775 -9.939 -0.130
71 1HE MET 10 1HE MET 10 -12.276 -8.984 2.555
72 2HE MET 10 2HE MET 10 -10.589 -8.494 2.400
73 3HE MET 10 3HE MET 10 -11.100 -9.472 3.775
74 H GLN 11 H GLN 11 -4.653 -11.393 -0.248
75 HA GLN 11 HA GLN 11 -4.297 -13.619 1.615
76 1HB GLN 11 2HB GLN 11 -3.063 -12.793 -0.957
77 2HB GLN 11 1HB GLN 11 -2.059 -13.701 0.164
78 1HG GLN 11 2HG GLN 11 -4.522 -15.042 0.052
79 2HG GLN 11 1HG GLN 11 -4.093 -14.638 -1.609
80 1HE2 GLN 11 1HE2 GLN 11 -1.899 -15.230 -2.301
81 2HE2 GLN 11 2HE2 GLN 11 -1.208 -16.687 -1.681
82 H TYR 12 H TYR 12 -1.470 -11.981 0.472
83 HA TYR 12 HA TYR 12 -1.043 -10.154 2.529
84 1HB TYR 12 2HB TYR 12 -1.150 -12.402 3.805
85 2HB TYR 12 1HB TYR 12 0.429 -12.718 3.097
86 HD1 TYR 12 1HD TYR 12 1.465 -12.868 5.286
87 HD2 TYR 12 2HD TYR 12 -0.508 -9.303 4.058
88 HE1 TYR 12 1HE TYR 12 2.537 -11.645 7.129
89 HE2 TYR 12 2HE TYR 12 0.561 -8.073 5.896
90 HH TYR 12 HH TYR 12 1.720 -9.239 8.462
91 H ASP 13 H ASP 13 -0.300 -9.279 0.430
92 HA ASP 13 HA ASP 13 2.410 -10.199 -0.266
93 1HB ASP 13 2HB ASP 13 0.196 -9.551 -1.905
94 2HB ASP 13 1HB ASP 13 1.362 -8.246 -2.109
95 HA PRO 14 HA PRO 14 2.673 -6.308 2.278
96 1HB PRO 14 2HB PRO 14 5.093 -7.096 3.360
97 2HB PRO 14 1HB PRO 14 3.510 -7.327 4.108
98 1HG PRO 14 2HG PRO 14 5.152 -9.249 2.513
99 2HG PRO 14 1HG PRO 14 4.176 -9.542 3.967
100 1HD PRO 14 2HD PRO 14 3.291 -10.236 1.542
101 2HD PRO 14 1HD PRO 14 2.183 -9.581 2.768
102 H VAL 15 H VAL 15 3.091 -4.880 0.683
103 HA VAL 15 HA VAL 15 5.728 -4.922 -0.602
104 HB VAL 15 HB VAL 15 4.736 -3.432 -2.259
105 1HG1 VAL 15 1HG1 VAL 15 2.661 -5.376 -2.497
106 2HG1 VAL 15 2HG1 VAL 15 4.126 -6.152 -1.893
107 3HG1 VAL 15 3HG1 VAL 15 4.168 -5.244 -3.405
108 1HG2 VAL 15 1HG2 VAL 15 3.107 -2.333 -0.786
109 2HG2 VAL 15 2HG2 VAL 15 2.149 -3.813 -0.771
110 3HG2 VAL 15 3HG2 VAL 15 2.368 -2.921 -2.276
111 H CYS 16 H CYS 16 7.103 -3.381 -0.282
112 HA CYS 16 HA CYS 16 6.644 -1.475 1.789
113 1HB CYS 16 2HB CYS 16 8.857 -2.759 0.658
114 2HB CYS 16 1HB CYS 16 9.072 -1.053 0.352
115 H GLY 17 H GLY 17 5.789 0.465 1.539
116 1HA GLY 17 2HA GLY 17 5.843 1.629 -1.149
117 2HA GLY 17 1HA GLY 17 4.642 1.991 0.075
118 H SER 18 H SER 18 6.553 3.570 -1.562
119 HA SER 18 HA SER 18 8.632 4.685 -0.210
120 1HB SER 18 2HB SER 18 8.105 5.261 -2.529
121 2HB SER 18 1HB SER 18 6.650 6.106 -2.003
122 HG SER 18 HG SER 18 9.351 6.812 -1.603
123 H ASP 19 H ASP 19 8.375 4.890 1.877
124 HA ASP 19 HA ASP 19 7.581 7.248 3.035
125 1HB ASP 19 2HB ASP 19 5.264 6.134 2.363
126 2HB ASP 19 1HB ASP 19 5.535 5.219 3.842
127 H GLY 20 H GLY 20 7.980 3.815 3.232
128 1HA GLY 20 2HA GLY 20 9.796 2.964 4.593
129 2HA GLY 20 1HA GLY 20 9.337 4.136 5.824
130 H ILE 21 H ILE 21 7.047 2.207 3.952
131 HA ILE 21 HA ILE 21 6.575 0.606 6.382
132 HB ILE 21 HB ILE 21 4.483 2.097 4.820
133 1HG1 ILE 21 2HG1 ILE 21 5.672 2.284 7.558
134 2HG1 ILE 21 1HG1 ILE 21 5.271 3.570 6.423
135 1HG2 ILE 21 1HG2 ILE 21 4.139 -0.044 6.917
136 2HG2 ILE 21 2HG2 ILE 21 3.626 -0.115 5.230
137 3HG2 ILE 21 3HG2 ILE 21 2.848 1.011 6.343
138 1HD1 ILE 21 1HD1 ILE 21 3.650 2.317 8.505
139 2HD1 ILE 21 2HD1 ILE 21 2.818 2.568 6.971
140 3HD1 ILE 21 3HD1 ILE 21 3.560 3.933 7.806
141 H THR 22 H THR 22 5.466 -1.342 6.123
142 HA THR 22 HA THR 22 5.627 -2.468 3.405
143 HB THR 22 HB THR 22 5.553 -4.116 5.922
144 HG1 THR 22 1HG THR 22 7.331 -2.928 6.306
145 1HG2 THR 22 1HG2 THR 22 6.906 -4.662 3.297
146 2HG2 THR 22 2HG2 THR 22 5.279 -5.210 3.703
147 3HG2 THR 22 3HG2 THR 22 6.661 -5.779 4.640
148 H TYR 23 H TYR 23 3.638 -2.134 2.625
149 HA TYR 23 HA TYR 23 1.273 -2.501 4.226
150 1HB TYR 23 2HB TYR 23 1.559 -1.905 1.285
151 2HB TYR 23 1HB TYR 23 0.119 -1.667 2.274
152 HD1 TYR 23 1HD TYR 23 0.262 -0.015 4.211
153 HD2 TYR 23 2HD TYR 23 3.231 -0.259 1.175
154 HE1 TYR 23 1HE TYR 23 1.105 2.199 4.863
155 HE2 TYR 23 2HE TYR 23 4.077 1.959 1.815
156 HH TYR 23 HH TYR 23 4.007 3.567 3.408
157 H GLY 24 H GLY 24 0.012 -4.215 4.339
158 1HA GLY 24 2HA GLY 24 0.668 -6.748 3.665
159 2HA GLY 24 1HA GLY 24 -0.999 -6.216 3.804
160 H ASN 25 H ASN 25 -0.607 -4.337 1.561
161 HA ASN 25 HA ASN 25 0.061 -5.861 -0.739
162 1HB ASN 25 2HB ASN 25 -2.859 -5.546 -0.042
163 2HB ASN 25 1HB ASN 25 -2.311 -5.844 -1.689
164 1HD2 ASN 25 1HD2 ASN 25 -3.834 -7.372 0.483
165 2HD2 ASN 25 2HD2 ASN 25 -3.102 -8.933 0.454
166 H ALA 26 H ALA 26 0.111 -4.620 -2.622
167 HA ALA 26 HA ALA 26 0.546 -1.902 -2.421
168 1HB ALA 26 1HB ALA 26 0.275 -3.822 -4.566
169 2HB ALA 26 2HB ALA 26 1.273 -2.370 -4.478
170 3HB ALA 26 3HB ALA 26 -0.401 -2.256 -5.020
171 H CYS 27 H CYS 27 -2.387 -3.647 -2.637
172 HA CYS 27 HA CYS 27 -4.059 -1.411 -3.329
173 1HB CYS 27 2HB CYS 27 -4.419 -4.293 -2.870
174 2HB CYS 27 1HB CYS 27 -5.760 -3.297 -2.321
175 H MET 28 H MET 28 -3.428 -3.408 -0.454
176 HA MET 28 HA MET 28 -5.018 -2.113 1.401
177 1HB MET 28 2HB MET 28 -2.204 -3.193 1.654
178 2HB MET 28 1HB MET 28 -3.143 -2.637 3.024
179 1HG MET 28 2HG MET 28 -4.526 -4.568 1.334
180 2HG MET 28 1HG MET 28 -3.078 -5.188 2.125
181 1HE MET 28 1HE MET 28 -3.800 -6.149 5.255
182 2HE MET 28 2HE MET 28 -3.312 -4.483 5.569
183 3HE MET 28 3HE MET 28 -2.583 -5.379 4.238
184 H LEU 29 H LEU 29 -2.000 -1.331 -0.075
185 HA LEU 29 HA LEU 29 -1.239 0.965 1.278
186 1HB LEU 29 2HB LEU 29 -0.530 -0.461 -1.043
187 2HB LEU 29 1HB LEU 29 -0.801 1.183 -1.557
188 HG LEU 29 HG LEU 29 1.310 0.068 0.193
189 1HD1 LEU 29 1HD1 LEU 29 1.567 0.777 -2.217
190 2HD1 LEU 29 2HD1 LEU 29 2.705 1.498 -1.077
191 3HD1 LEU 29 3HD1 LEU 29 1.330 2.433 -1.662
192 1HD2 LEU 29 1HD2 LEU 29 -0.040 2.703 0.604
193 2HD2 LEU 29 2HD2 LEU 29 1.684 2.534 0.930
194 3HD2 LEU 29 3HD2 LEU 29 0.515 1.546 1.801
195 H LEU 30 H LEU 30 -3.051 0.624 -1.727
196 HA LEU 30 HA LEU 30 -3.738 3.249 -2.143
197 1HB LEU 30 2HB LEU 30 -5.036 0.636 -2.770
198 2HB LEU 30 1HB LEU 30 -5.977 2.098 -3.010
199 HG LEU 30 HG LEU 30 -3.260 1.690 -4.240
200 1HD1 LEU 30 1HD1 LEU 30 -5.635 1.459 -5.954
201 2HD1 LEU 30 2HD1 LEU 30 -5.374 0.113 -4.845
202 3HD1 LEU 30 3HD1 LEU 30 -4.112 0.568 -5.990
203 1HD2 LEU 30 1HD2 LEU 30 -5.362 3.429 -5.400
204 2HD2 LEU 30 2HD2 LEU 30 -3.610 3.635 -5.363
205 3HD2 LEU 30 3HD2 LEU 30 -4.570 3.984 -3.926
206 H CYS 31 H CYS 31 -4.991 0.912 0.149
207 HA CYS 31 HA CYS 31 -7.180 2.602 0.994
208 1HB CYS 31 2HB CYS 31 -6.125 -0.055 1.665
209 2HB CYS 31 1HB CYS 31 -6.702 0.831 3.071
210 H ALA 32 H ALA 32 -3.864 2.026 1.836
211 HA ALA 32 HA ALA 32 -3.778 3.349 4.321
212 1HB ALA 32 1HB ALA 32 -1.469 3.122 4.209
213 2HB ALA 32 2HB ALA 32 -1.451 3.223 2.448
214 3HB ALA 32 3HB ALA 32 -2.054 1.768 3.241
215 H SER 33 H SER 33 -2.747 4.413 1.083
216 HA SER 33 HA SER 33 -2.121 7.036 1.691
217 1HB SER 33 2HB SER 33 -3.566 6.691 -0.862
218 2HB SER 33 1HB SER 33 -1.947 7.322 -0.560
219 HG SER 33 HG SER 33 -1.465 5.451 -1.463
220 H ALA 34 H ALA 34 -5.246 5.544 1.120
221 HA ALA 34 HA ALA 34 -6.630 8.099 1.344
222 1HB ALA 34 1HB ALA 34 -7.613 6.789 -0.292
223 2HB ALA 34 2HB ALA 34 -8.670 6.532 1.094
224 3HB ALA 34 3HB ALA 34 -7.472 5.312 0.661
225 H ARG 35 H ARG 35 -5.364 6.007 3.547
226 HA ARG 35 HA ARG 35 -7.573 6.429 5.445
227 1HB ARG 35 2HB ARG 35 -5.619 4.231 5.071
228 2HB ARG 35 1HB ARG 35 -6.094 4.606 6.721
229 1HG ARG 35 2HG ARG 35 -8.391 4.180 6.234
230 2HG ARG 35 1HG ARG 35 -8.050 4.034 4.509
231 1HD ARG 35 2HD ARG 35 -8.078 1.826 5.037
232 2HD ARG 35 1HD ARG 35 -6.385 2.163 5.401
233 HE ARG 35 HE ARG 35 -8.024 2.588 7.679
234 1HH1 ARG 35 1HH1 ARG 35 -6.577 0.085 5.741
235 2HH1 ARG 35 2HH1 ARG 35 -6.496 -1.058 7.040
236 1HH2 ARG 35 1HH2 ARG 35 -7.926 1.094 9.401
237 2HH2 ARG 35 2HH2 ARG 35 -7.263 -0.481 9.125
238 H SER 36 H SER 36 -4.067 6.690 5.078
239 HA SER 36 HA SER 36 -3.777 7.825 7.721
240 1HB SER 36 2HB SER 36 -2.039 6.338 6.841
241 2HB SER 36 1HB SER 36 -1.739 7.456 5.512
242 HG SER 36 HG SER 36 -1.555 8.896 7.674
243 H ASP 37 H ASP 37 -1.720 9.320 5.444
244 HA ASP 37 HA ASP 37 -3.235 11.495 4.592
245 1HB ASP 37 2HB ASP 37 -2.495 13.238 6.187
246 2HB ASP 37 1HB ASP 37 -3.518 12.025 6.952
247 H THR 38 H THR 38 -1.062 9.776 3.758
248 HA THR 38 HA THR 38 0.758 11.850 2.826
249 HB THR 38 HB THR 38 1.658 9.383 4.318
250 HG1 THR 38 1HG THR 38 1.269 11.204 5.601
251 1HG2 THR 38 1HG2 THR 38 3.654 9.386 3.359
252 2HG2 THR 38 2HG2 THR 38 3.781 11.143 3.460
253 3HG2 THR 38 3HG2 THR 38 2.947 10.395 2.097
254 HA PRO 39 HA PRO 39 0.121 9.504 -0.876
255 1HB PRO 39 2HB PRO 39 1.870 10.807 -2.464
256 2HB PRO 39 1HB PRO 39 0.345 11.533 -1.942
257 1HG PRO 39 2HG PRO 39 3.104 11.927 -0.840
258 2HG PRO 39 1HG PRO 39 1.854 13.139 -1.183
259 1HD PRO 39 2HD PRO 39 2.326 12.176 1.313
260 2HD PRO 39 1HD PRO 39 0.721 12.706 0.773
261 H ILE 40 H ILE 40 1.062 7.540 0.080
262 HA ILE 40 HA ILE 40 3.856 7.033 -0.028
263 HB ILE 40 HB ILE 40 3.222 4.674 0.314
264 1HG1 ILE 40 2HG1 ILE 40 0.785 5.553 -0.860
265 2HG1 ILE 40 1HG1 ILE 40 1.230 3.921 -0.381
266 1HG2 ILE 40 1HG2 ILE 40 3.398 6.287 2.192
267 2HG2 ILE 40 2HG2 ILE 40 2.296 4.949 2.514
268 3HG2 ILE 40 3HG2 ILE 40 1.655 6.535 2.092
269 1HD1 ILE 40 1HD1 ILE 40 0.413 4.514 1.930
270 2HD1 ILE 40 2HD1 ILE 40 -0.819 4.399 0.672
271 3HD1 ILE 40 3HD1 ILE 40 -0.258 5.980 1.216
272 H GLU 41 H GLU 41 4.954 5.566 -1.457
273 HA GLU 41 HA GLU 41 3.606 4.994 -3.996
274 1HB GLU 41 2HB GLU 41 5.866 6.880 -3.615
275 2HB GLU 41 1HB GLU 41 5.949 5.813 -5.010
276 1HG GLU 41 2HG GLU 41 3.936 6.673 -5.905
277 2HG GLU 41 1HG GLU 41 3.559 7.528 -4.408
278 H LEU 42 H LEU 42 3.751 2.821 -3.885
279 HA LEU 42 HA LEU 42 5.362 1.099 -2.722
280 1HB LEU 42 2HB LEU 42 3.836 1.013 -5.086
281 2HB LEU 42 1HB LEU 42 5.353 0.214 -5.413
282 HG LEU 42 HG LEU 42 3.391 -1.213 -4.573
283 1HD1 LEU 42 1HD1 LEU 42 4.956 -2.736 -4.139
284 2HD1 LEU 42 2HD1 LEU 42 5.559 -1.831 -2.751
285 3HD1 LEU 42 3HD1 LEU 42 6.138 -1.448 -4.372
286 1HD2 LEU 42 1HD2 LEU 42 2.520 -0.774 -2.581
287 2HD2 LEU 42 2HD2 LEU 42 3.563 0.642 -2.463
288 3HD2 LEU 42 3HD2 LEU 42 4.107 -0.908 -1.824
289 H VAL 43 H VAL 43 7.318 0.023 -3.046
290 HA VAL 43 HA VAL 43 9.194 1.197 -4.959
291 HB VAL 43 HB VAL 43 10.224 0.825 -2.200
292 1HG1 VAL 43 1HG1 VAL 43 11.826 1.314 -3.901
293 2HG1 VAL 43 2HG1 VAL 43 11.635 2.768 -2.922
294 3HG1 VAL 43 3HG1 VAL 43 10.859 2.661 -4.502
295 1HG2 VAL 43 1HG2 VAL 43 8.115 2.172 -2.022
296 2HG2 VAL 43 2HG2 VAL 43 8.898 3.389 -3.031
297 3HG2 VAL 43 3HG2 VAL 43 9.580 2.976 -1.458
298 H HIS 44 H HIS 44 8.634 -1.270 -2.488
299 HA HIS 44 HA HIS 44 9.908 -3.240 -4.176
300 1HB HIS 44 2HB HIS 44 11.035 -3.773 -1.655
301 2HB HIS 44 1HB HIS 44 11.876 -3.266 -3.115
302 HD1 HIS 44 1HD HIS 44 12.459 -0.729 -3.323
303 HD2 HIS 44 2HD HIS 44 10.779 -1.837 0.314
304 HE1 HIS 44 1HE HIS 44 12.822 1.233 -1.794
305 HE2 HIS 44 2HE HIS 44 11.681 0.594 0.353
306 H LYS 45 H LYS 45 8.642 -4.960 -4.164
307 HA LYS 45 HA LYS 45 6.506 -5.272 -2.328
308 1HB LYS 45 2HB LYS 45 7.422 -7.599 -3.936
309 2HB LYS 45 1HB LYS 45 5.795 -6.994 -3.664
310 1HG LYS 45 2HG LYS 45 5.991 -6.369 -5.818
311 2HG LYS 45 1HG LYS 45 6.779 -4.961 -5.102
312 1HD LYS 45 2HD LYS 45 8.343 -5.545 -6.668
313 2HD LYS 45 1HD LYS 45 8.918 -6.492 -5.295
314 1HE LYS 45 2HE LYS 45 8.862 -7.803 -7.374
315 2HE LYS 45 1HE LYS 45 7.791 -8.460 -6.137
316 1HZ LYS 45 1HZ LYS 45 6.692 -6.569 -8.094
317 2HZ LYS 45 2HZ LYS 45 5.933 -7.851 -7.293
318 3HZ LYS 45 3HZ LYS 45 6.980 -8.164 -8.584
319 H GLY 46 H GLY 46 7.992 -5.149 -0.385
320 1HA GLY 46 2HA GLY 46 8.058 -7.606 0.927
321 2HA GLY 46 1HA GLY 46 9.677 -7.303 0.305
322 H ARG 47 H ARG 47 10.196 -7.309 2.657
323 HA ARG 47 HA ARG 47 9.315 -4.971 4.123
324 1HB ARG 47 2HB ARG 47 11.530 -6.561 5.241
325 2HB ARG 47 1HB ARG 47 10.031 -6.035 5.994
326 1HG ARG 47 2HG ARG 47 9.012 -7.867 4.373
327 2HG ARG 47 1HG ARG 47 10.642 -8.529 4.515
328 1HD ARG 47 2HD ARG 47 10.455 -8.675 6.889
329 2HD ARG 47 1HD ARG 47 8.942 -7.767 6.883
330 HE ARG 47 HE ARG 47 8.930 -10.260 5.403
331 1HH1 ARG 47 1HH1 ARG 47 8.232 -8.629 8.401
332 2HH1 ARG 47 2HH1 ARG 47 7.109 -9.830 8.943
333 1HH2 ARG 47 1HH2 ARG 47 7.457 -11.846 6.104
334 2HH2 ARG 47 2HH2 ARG 47 6.674 -11.667 7.640
335 H CYS 48 H CYS 48 10.381 -3.915 2.043
336 HA CYS 48 HA CYS 48 12.120 -2.730 1.125
337 1HB CYS 48 2HB CYS 48 11.924 -2.002 4.012
338 2HB CYS 48 1HB CYS 48 13.126 -1.217 2.995
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 -17.798 0.291 -5.160
2 2H LYS 1 2HT LYS 1 -18.205 1.948 -4.970
3 3H LYS 1 3HT LYS 1 -18.859 0.775 -3.903
4 HA LYS 1 HA LYS 1 -17.122 2.002 -2.860
5 1HB LYS 1 2HB LYS 1 -15.589 -0.131 -2.541
6 2HB LYS 1 1HB LYS 1 -17.235 -0.095 -1.929
7 1HG LYS 1 2HG LYS 1 -18.017 -1.342 -3.843
8 2HG LYS 1 1HG LYS 1 -16.407 -1.295 -4.563
9 1HD LYS 1 2HD LYS 1 -15.515 -2.730 -2.928
10 2HD LYS 1 1HD LYS 1 -16.893 -2.496 -1.853
11 1HE LYS 1 2HE LYS 1 -17.850 -3.512 -4.332
12 2HE LYS 1 1HE LYS 1 -16.496 -4.512 -3.811
13 1HZ LYS 1 1HZ LYS 1 -19.077 -4.048 -2.480
14 2HZ LYS 1 2HZ LYS 1 -17.727 -4.462 -1.550
15 3HZ LYS 1 3HZ LYS 1 -18.267 -5.506 -2.767
16 HA PRO 2 HA PRO 2 -14.204 3.500 -5.975
17 1HB PRO 2 2HB PRO 2 -13.202 4.850 -3.517
18 2HB PRO 2 1HB PRO 2 -13.574 5.532 -5.105
19 1HG PRO 2 2HG PRO 2 -15.212 5.914 -3.038
20 2HG PRO 2 1HG PRO 2 -15.846 5.647 -4.674
21 1HD PRO 2 2HD PRO 2 -15.725 3.771 -2.354
22 2HD PRO 2 1HD PRO 2 -16.973 3.944 -3.605
23 H ASP 3 H ASP 3 -11.644 4.077 -5.369
24 HA ASP 3 HA ASP 3 -10.572 1.467 -4.557
25 1HB ASP 3 2HB ASP 3 -9.926 3.322 -6.663
26 2HB ASP 3 1HB ASP 3 -8.511 3.058 -5.648
27 H ALA 4 H ALA 4 -10.353 1.591 -2.369
28 HA ALA 4 HA ALA 4 -8.183 3.117 -1.337
29 1HB ALA 4 1HB ALA 4 -10.977 4.002 -0.834
30 2HB ALA 4 2HB ALA 4 -9.509 4.957 -1.048
31 3HB ALA 4 3HB ALA 4 -9.804 4.120 0.477
32 HA PRO 5 HA PRO 5 -10.720 0.595 2.294
33 1HB PRO 5 2HB PRO 5 -11.604 -1.239 0.096
34 2HB PRO 5 1HB PRO 5 -12.368 -0.910 1.654
35 1HG PRO 5 2HG PRO 5 -13.119 0.262 -0.724
36 2HG PRO 5 1HG PRO 5 -13.432 0.947 0.877
37 1HD PRO 5 2HD PRO 5 -11.719 1.979 -1.183
38 2HD PRO 5 1HD PRO 5 -12.016 2.658 0.428
39 H CYS 6 H CYS 6 -9.472 -0.943 3.269
40 HA CYS 6 HA CYS 6 -7.239 -1.960 1.701
41 1HB CYS 6 2HB CYS 6 -6.982 -2.778 4.405
42 2HB CYS 6 1HB CYS 6 -6.041 -1.571 3.538
43 H ILE 7 H ILE 7 -9.334 -3.229 0.841
44 HA ILE 7 HA ILE 7 -8.915 -5.941 1.813
45 HB ILE 7 HB ILE 7 -11.588 -4.583 1.681
46 1HG1 ILE 7 2HG1 ILE 7 -10.011 -4.817 3.791
47 2HG1 ILE 7 1HG1 ILE 7 -11.755 -5.016 3.939
48 1HG2 ILE 7 1HG2 ILE 7 -12.254 -7.123 2.280
49 2HG2 ILE 7 2HG2 ILE 7 -10.895 -7.414 1.194
50 3HG2 ILE 7 3HG2 ILE 7 -12.281 -6.474 0.640
51 1HD1 ILE 7 1HD1 ILE 7 -10.570 -6.733 5.169
52 2HD1 ILE 7 2HD1 ILE 7 -9.735 -7.235 3.699
53 3HD1 ILE 7 3HD1 ILE 7 -11.482 -7.441 3.836
54 H CYS 8 H CYS 8 -7.847 -6.349 -0.109
55 HA CYS 8 HA CYS 8 -9.500 -6.280 -2.546
56 1HB CYS 8 2HB CYS 8 -6.773 -5.465 -2.030
57 2HB CYS 8 1HB CYS 8 -6.841 -6.684 -3.294
58 H THR 9 H THR 9 -7.240 -8.093 -0.602
59 HA THR 9 HA THR 9 -8.412 -10.598 -1.177
60 HB THR 9 HB THR 9 -7.259 -10.329 -3.323
61 HG1 THR 9 1HG THR 9 -5.750 -12.199 -2.989
62 1HG2 THR 9 1HG2 THR 9 -5.348 -9.225 -3.423
63 2HG2 THR 9 2HG2 THR 9 -4.578 -10.663 -2.755
64 3HG2 THR 9 3HG2 THR 9 -5.100 -9.363 -1.683
65 H MET 10 H MET 10 -6.222 -12.225 -0.771
66 HA MET 10 HA MET 10 -5.077 -11.282 1.757
67 1HB MET 10 2HB MET 10 -6.958 -13.403 1.458
68 2HB MET 10 1HB MET 10 -5.407 -14.125 1.860
69 1HG MET 10 2HG MET 10 -6.365 -11.800 3.448
70 2HG MET 10 1HG MET 10 -7.084 -13.385 3.727
71 1HE MET 10 1HE MET 10 -6.274 -12.860 6.218
72 2HE MET 10 2HE MET 10 -4.888 -13.822 6.729
73 3HE MET 10 3HE MET 10 -6.213 -14.582 5.846
74 H GLN 11 H GLN 11 -4.289 -11.694 -1.163
75 HA GLN 11 HA GLN 11 -2.271 -13.717 -1.118
76 1HB GLN 11 2HB GLN 11 -3.504 -12.130 -3.079
77 2HB GLN 11 1HB GLN 11 -1.804 -11.681 -3.109
78 1HG GLN 11 2HG GLN 11 -1.123 -13.760 -3.789
79 2HG GLN 11 1HG GLN 11 -2.522 -14.568 -3.085
80 1HE2 GLN 11 1HE2 GLN 11 -4.596 -14.228 -4.157
81 2HE2 GLN 11 2HE2 GLN 11 -4.625 -14.028 -5.873
82 H TYR 12 H TYR 12 -1.671 -12.644 1.055
83 HA TYR 12 HA TYR 12 -0.445 -10.515 1.790
84 1HB TYR 12 2HB TYR 12 -0.238 -12.894 2.793
85 2HB TYR 12 1HB TYR 12 1.297 -12.954 1.932
86 HD1 TYR 12 1HD TYR 12 -0.539 -10.518 4.101
87 HD2 TYR 12 2HD TYR 12 3.150 -12.438 3.203
88 HE1 TYR 12 1HE TYR 12 0.533 -9.313 5.957
89 HE2 TYR 12 2HE TYR 12 4.231 -11.238 5.059
90 HH TYR 12 HH TYR 12 2.373 -9.145 7.223
91 H ASP 13 H ASP 13 0.100 -9.209 0.006
92 HA ASP 13 HA ASP 13 2.743 -9.793 -1.155
93 1HB ASP 13 2HB ASP 13 0.631 -9.540 -2.685
94 2HB ASP 13 1HB ASP 13 0.807 -7.822 -2.346
95 HA PRO 14 HA PRO 14 2.711 -6.225 1.952
96 1HB PRO 14 2HB PRO 14 5.143 -7.058 3.005
97 2HB PRO 14 1HB PRO 14 3.552 -7.373 3.703
98 1HG PRO 14 2HG PRO 14 5.255 -9.135 1.998
99 2HG PRO 14 1HG PRO 14 4.227 -9.560 3.380
100 1HD PRO 14 2HD PRO 14 3.446 -10.046 0.865
101 2HD PRO 14 1HD PRO 14 2.282 -9.518 2.101
102 H VAL 15 H VAL 15 3.061 -4.752 0.344
103 HA VAL 15 HA VAL 15 5.719 -4.587 -0.857
104 HB VAL 15 HB VAL 15 4.711 -2.948 -2.347
105 1HG1 VAL 15 1HG1 VAL 15 4.440 -5.553 -2.553
106 2HG1 VAL 15 2HG1 VAL 15 3.640 -4.465 -3.689
107 3HG1 VAL 15 3HG1 VAL 15 2.733 -5.164 -2.348
108 1HG2 VAL 15 1HG2 VAL 15 2.203 -3.414 -0.748
109 2HG2 VAL 15 2HG2 VAL 15 2.279 -2.521 -2.267
110 3HG2 VAL 15 3HG2 VAL 15 3.128 -1.915 -0.844
111 H CYS 16 H CYS 16 7.135 -3.218 -0.234
112 HA CYS 16 HA CYS 16 6.600 -1.423 1.920
113 1HB CYS 16 2HB CYS 16 8.833 -2.767 0.885
114 2HB CYS 16 1HB CYS 16 9.166 -1.055 0.744
115 H GLY 17 H GLY 17 5.777 0.506 1.681
116 1HA GLY 17 2HA GLY 17 6.140 1.829 -0.899
117 2HA GLY 17 1HA GLY 17 4.842 2.164 0.220
118 H SER 18 H SER 18 7.009 3.713 -1.154
119 HA SER 18 HA SER 18 8.941 4.679 0.479
120 1HB SER 18 2HB SER 18 8.903 5.468 -1.756
121 2HB SER 18 1HB SER 18 7.265 6.094 -1.582
122 HG SER 18 HG SER 18 8.924 7.719 -1.483
123 H ASP 19 H ASP 19 8.507 4.837 2.522
124 HA ASP 19 HA ASP 19 7.732 7.139 3.729
125 1HB ASP 19 2HB ASP 19 5.424 5.787 2.737
126 2HB ASP 19 1HB ASP 19 5.393 5.687 4.494
127 H GLY 20 H GLY 20 7.975 3.710 3.720
128 1HA GLY 20 2HA GLY 20 9.344 2.577 5.303
129 2HA GLY 20 1HA GLY 20 8.889 3.780 6.504
130 H ILE 21 H ILE 21 6.618 2.222 4.311
131 HA ILE 21 HA ILE 21 5.592 0.696 6.624
132 HB ILE 21 HB ILE 21 3.982 2.333 4.678
133 1HG1 ILE 21 2HG1 ILE 21 4.960 3.561 6.576
134 2HG1 ILE 21 1HG1 ILE 21 3.203 3.494 6.678
135 1HG2 ILE 21 1HG2 ILE 21 3.171 0.137 6.533
136 2HG2 ILE 21 2HG2 ILE 21 2.656 0.453 4.876
137 3HG2 ILE 21 3HG2 ILE 21 2.059 1.463 6.192
138 1HD1 ILE 21 1HD1 ILE 21 4.246 1.262 8.077
139 2HD1 ILE 21 2HD1 ILE 21 3.362 2.649 8.711
140 3HD1 ILE 21 3HD1 ILE 21 5.122 2.701 8.598
141 H THR 22 H THR 22 5.142 -1.374 6.265
142 HA THR 22 HA THR 22 5.349 -2.380 3.529
143 HB THR 22 HB THR 22 4.992 -4.230 5.836
144 HG1 THR 22 1HG THR 22 7.344 -4.031 6.134
145 1HG2 THR 22 1HG2 THR 22 5.352 -4.988 3.478
146 2HG2 THR 22 2HG2 THR 22 6.490 -5.626 4.666
147 3HG2 THR 22 3HG2 THR 22 6.979 -4.316 3.590
148 H TYR 23 H TYR 23 3.449 -2.066 2.562
149 HA TYR 23 HA TYR 23 0.955 -2.523 3.924
150 1HB TYR 23 2HB TYR 23 1.441 -1.906 1.011
151 2HB TYR 23 1HB TYR 23 -0.052 -1.674 1.916
152 HD1 TYR 23 1HD TYR 23 3.193 -0.304 1.095
153 HD2 TYR 23 2HD TYR 23 -0.150 0.086 3.699
154 HE1 TYR 23 1HE TYR 23 3.956 1.945 1.731
155 HE2 TYR 23 2HE TYR 23 0.604 2.344 4.325
156 HH TYR 23 HH TYR 23 2.402 3.763 4.285
157 H GLY 24 H GLY 24 -0.066 -4.367 4.052
158 1HA GLY 24 2HA GLY 24 0.683 -6.838 3.352
159 2HA GLY 24 1HA GLY 24 -1.013 -6.378 3.399
160 H ASN 25 H ASN 25 -0.653 -4.483 1.215
161 HA ASN 25 HA ASN 25 0.322 -5.755 -1.082
162 1HB ASN 25 2HB ASN 25 -2.061 -6.095 -2.126
163 2HB ASN 25 1HB ASN 25 -1.312 -7.368 -1.174
164 1HD2 ASN 25 1HD2 ASN 25 -2.746 -8.353 0.059
165 2HD2 ASN 25 2HD2 ASN 25 -4.052 -7.595 0.892
166 H ALA 26 H ALA 26 -0.078 -4.587 -3.029
167 HA ALA 26 HA ALA 26 0.076 -1.864 -2.833
168 1HB ALA 26 1HB ALA 26 0.564 -2.184 -4.975
169 2HB ALA 26 2HB ALA 26 -1.161 -2.335 -5.310
170 3HB ALA 26 3HB ALA 26 -0.201 -3.772 -4.955
171 H CYS 27 H CYS 27 -2.718 -3.841 -2.668
172 HA CYS 27 HA CYS 27 -4.603 -1.726 -3.201
173 1HB CYS 27 2HB CYS 27 -4.762 -4.605 -2.590
174 2HB CYS 27 1HB CYS 27 -6.079 -3.635 -1.942
175 H MET 28 H MET 28 -3.564 -3.577 -0.353
176 HA MET 28 HA MET 28 -4.928 -2.236 1.645
177 1HB MET 28 2HB MET 28 -2.147 -3.354 1.463
178 2HB MET 28 1HB MET 28 -2.667 -2.534 2.925
179 1HG MET 28 2HG MET 28 -4.700 -4.353 2.365
180 2HG MET 28 1HG MET 28 -3.200 -5.221 2.042
181 1HE MET 28 1HE MET 28 -4.064 -6.791 3.553
182 2HE MET 28 2HE MET 28 -4.153 -6.683 5.311
183 3HE MET 28 3HE MET 28 -2.590 -6.873 4.518
184 H LEU 29 H LEU 29 -2.045 -1.468 -0.146
185 HA LEU 29 HA LEU 29 -1.216 0.902 0.992
186 1HB LEU 29 2HB LEU 29 -0.745 -0.603 -1.347
187 2HB LEU 29 1HB LEU 29 -1.063 1.027 -1.870
188 HG LEU 29 HG LEU 29 1.218 -0.046 -0.297
189 1HD1 LEU 29 1HD1 LEU 29 0.729 1.738 -2.625
190 2HD1 LEU 29 2HD1 LEU 29 1.849 0.389 -2.454
191 3HD1 LEU 29 3HD1 LEU 29 2.217 1.941 -1.702
192 1HD2 LEU 29 1HD2 LEU 29 1.744 2.330 0.391
193 2HD2 LEU 29 2HD2 LEU 29 0.449 1.547 1.285
194 3HD2 LEU 29 3HD2 LEU 29 0.064 2.716 0.031
195 H LEU 30 H LEU 30 -3.392 0.387 -1.732
196 HA LEU 30 HA LEU 30 -4.139 2.985 -2.223
197 1HB LEU 30 2HB LEU 30 -5.526 0.350 -2.472
198 2HB LEU 30 1HB LEU 30 -6.473 1.805 -2.699
199 HG LEU 30 HG LEU 30 -3.929 1.421 -4.227
200 1HD1 LEU 30 1HD1 LEU 30 -5.404 0.474 -6.061
201 2HD1 LEU 30 2HD1 LEU 30 -6.596 0.160 -4.799
202 3HD1 LEU 30 3HD1 LEU 30 -5.011 -0.609 -4.725
203 1HD2 LEU 30 1HD2 LEU 30 -5.721 2.607 -5.871
204 2HD2 LEU 30 2HD2 LEU 30 -4.620 3.483 -4.807
205 3HD2 LEU 30 3HD2 LEU 30 -6.283 3.182 -4.301
206 H CYS 31 H CYS 31 -5.019 0.838 0.384
207 HA CYS 31 HA CYS 31 -7.087 2.572 1.417
208 1HB CYS 31 2HB CYS 31 -6.856 0.027 1.804
209 2HB CYS 31 1HB CYS 31 -5.648 0.456 3.011
210 H ALA 32 H ALA 32 -3.669 2.093 1.809
211 HA ALA 32 HA ALA 32 -3.272 3.594 4.162
212 1HB ALA 32 1HB ALA 32 -1.306 3.284 1.901
213 2HB ALA 32 2HB ALA 32 -1.622 2.019 3.090
214 3HB ALA 32 3HB ALA 32 -0.957 3.569 3.606
215 H SER 33 H SER 33 -2.732 4.451 0.745
216 HA SER 33 HA SER 33 -2.386 7.216 1.237
217 1HB SER 33 2HB SER 33 -2.019 5.628 -0.933
218 2HB SER 33 1HB SER 33 -3.530 6.421 -1.378
219 HG SER 33 HG SER 33 -2.480 8.216 -1.683
220 H ALA 34 H ALA 34 -5.133 5.224 1.253
221 HA ALA 34 HA ALA 34 -7.013 7.331 0.586
222 1HB ALA 34 1HB ALA 34 -7.217 4.408 1.122
223 2HB ALA 34 2HB ALA 34 -7.743 5.333 -0.284
224 3HB ALA 34 3HB ALA 34 -8.660 5.416 1.220
225 H ARG 35 H ARG 35 -5.724 5.826 3.471
226 HA ARG 35 HA ARG 35 -7.515 7.545 5.054
227 1HB ARG 35 2HB ARG 35 -8.014 5.872 6.587
228 2HB ARG 35 1HB ARG 35 -8.068 5.023 5.048
229 1HG ARG 35 2HG ARG 35 -5.455 4.712 5.780
230 2HG ARG 35 1HG ARG 35 -6.292 4.659 7.333
231 1HD ARG 35 2HD ARG 35 -6.524 2.834 4.983
232 2HD ARG 35 1HD ARG 35 -6.347 2.445 6.693
233 HE ARG 35 HE ARG 35 -8.810 3.013 5.276
234 1HH1 ARG 35 1HH1 ARG 35 -7.216 2.661 8.352
235 2HH1 ARG 35 2HH1 ARG 35 -8.684 2.367 9.223
236 1HH2 ARG 35 1HH2 ARG 35 -10.748 2.618 6.413
237 2HH2 ARG 35 2HH2 ARG 35 -10.689 2.338 8.122
238 H SER 36 H SER 36 -4.555 7.618 4.175
239 HA SER 36 HA SER 36 -3.370 7.783 6.849
240 1HB SER 36 2HB SER 36 -2.289 6.329 5.094
241 2HB SER 36 1HB SER 36 -1.933 7.797 4.186
242 HG SER 36 HG SER 36 -0.987 7.061 6.755
243 H ASP 37 H ASP 37 -1.482 9.494 4.729
244 HA ASP 37 HA ASP 37 -2.785 11.934 4.410
245 1HB ASP 37 2HB ASP 37 -1.730 13.246 6.244
246 2HB ASP 37 1HB ASP 37 -2.905 12.064 6.814
247 H THR 38 H THR 38 -0.660 10.113 3.292
248 HA THR 38 HA THR 38 1.024 12.181 2.261
249 HB THR 38 HB THR 38 2.450 9.955 3.707
250 HG1 THR 38 1HG THR 38 2.314 12.540 4.766
251 1HG2 THR 38 1HG2 THR 38 3.268 12.428 2.309
252 2HG2 THR 38 2HG2 THR 38 4.059 10.855 2.396
253 3HG2 THR 38 3HG2 THR 38 4.163 11.970 3.758
254 HA PRO 39 HA PRO 39 0.204 9.299 -1.090
255 1HB PRO 39 2HB PRO 39 2.248 11.097 -2.320
256 2HB PRO 39 1HB PRO 39 0.700 10.544 -2.970
257 1HG PRO 39 2HG PRO 39 0.935 13.010 -2.028
258 2HG PRO 39 1HG PRO 39 -0.524 12.060 -1.695
259 1HD PRO 39 2HD PRO 39 1.778 12.692 0.102
260 2HD PRO 39 1HD PRO 39 0.048 12.567 0.485
261 H ILE 40 H ILE 40 1.217 7.470 -0.201
262 HA ILE 40 HA ILE 40 3.992 7.161 0.119
263 HB ILE 40 HB ILE 40 3.488 4.712 0.098
264 1HG1 ILE 40 2HG1 ILE 40 1.307 5.450 -1.408
265 2HG1 ILE 40 1HG1 ILE 40 1.538 3.878 -0.658
266 1HG2 ILE 40 1HG2 ILE 40 3.428 5.516 2.230
267 2HG2 ILE 40 2HG2 ILE 40 1.756 4.978 2.073
268 3HG2 ILE 40 3HG2 ILE 40 2.156 6.684 1.871
269 1HD1 ILE 40 1HD1 ILE 40 -0.068 6.193 0.381
270 2HD1 ILE 40 2HD1 ILE 40 0.314 4.764 1.341
271 3HD1 ILE 40 3HD1 ILE 40 -0.649 4.607 -0.128
272 H GLU 41 H GLU 41 5.477 5.936 -1.156
273 HA GLU 41 HA GLU 41 4.672 5.605 -3.968
274 1HB GLU 41 2HB GLU 41 6.798 7.333 -2.871
275 2HB GLU 41 1HB GLU 41 7.251 6.367 -4.271
276 1HG GLU 41 2HG GLU 41 5.337 7.285 -5.501
277 2HG GLU 41 1HG GLU 41 4.936 8.282 -4.102
278 H LEU 42 H LEU 42 4.573 3.403 -3.809
279 HA LEU 42 HA LEU 42 6.004 1.559 -2.557
280 1HB LEU 42 2HB LEU 42 4.620 1.626 -5.039
281 2HB LEU 42 1HB LEU 42 6.046 0.637 -5.212
282 HG LEU 42 HG LEU 42 3.716 -0.368 -4.430
283 1HD1 LEU 42 1HD1 LEU 42 6.280 -1.257 -4.584
284 2HD1 LEU 42 2HD1 LEU 42 4.892 -2.246 -4.132
285 3HD1 LEU 42 3HD1 LEU 42 5.908 -1.530 -2.882
286 1HD2 LEU 42 1HD2 LEU 42 5.034 0.137 -1.781
287 2HD2 LEU 42 2HD2 LEU 42 3.429 -0.515 -2.108
288 3HD2 LEU 42 3HD2 LEU 42 3.767 1.190 -2.411
289 H VAL 43 H VAL 43 7.898 0.402 -2.750
290 HA VAL 43 HA VAL 43 9.924 1.454 -4.589
291 HB VAL 43 HB VAL 43 10.696 1.048 -1.724
292 1HG1 VAL 43 1HG1 VAL 43 11.932 2.020 -4.194
293 2HG1 VAL 43 2HG1 VAL 43 12.675 1.339 -2.749
294 3HG1 VAL 43 3HG1 VAL 43 12.230 3.044 -2.791
295 1HG2 VAL 43 1HG2 VAL 43 8.865 2.696 -1.753
296 2HG2 VAL 43 2HG2 VAL 43 9.775 3.659 -2.917
297 3HG2 VAL 43 3HG2 VAL 43 10.410 3.412 -1.291
298 H HIS 44 H HIS 44 9.014 -1.008 -2.229
299 HA HIS 44 HA HIS 44 10.316 -3.004 -3.869
300 1HB HIS 44 2HB HIS 44 11.075 -3.752 -1.275
301 2HB HIS 44 1HB HIS 44 12.130 -3.232 -2.584
302 HD1 HIS 44 1HD HIS 44 12.809 -0.673 -2.588
303 HD2 HIS 44 2HD HIS 44 10.809 -1.983 0.810
304 HE1 HIS 44 1HE HIS 44 13.166 1.125 -0.866
305 HE2 HIS 44 2HE HIS 44 11.962 0.310 1.185
306 H LYS 45 H LYS 45 8.851 -4.529 -4.154
307 HA LYS 45 HA LYS 45 6.525 -4.746 -2.549
308 1HB LYS 45 2HB LYS 45 7.620 -6.651 -4.624
309 2HB LYS 45 1HB LYS 45 5.988 -6.683 -3.968
310 1HG LYS 45 2HG LYS 45 5.339 -5.273 -5.539
311 2HG LYS 45 1HG LYS 45 6.464 -4.064 -4.918
312 1HD LYS 45 2HD LYS 45 7.594 -4.234 -6.828
313 2HD LYS 45 1HD LYS 45 8.031 -5.880 -6.361
314 1HE LYS 45 2HE LYS 45 5.359 -5.836 -7.400
315 2HE LYS 45 1HE LYS 45 6.456 -5.063 -8.543
316 1HZ LYS 45 1HZ LYS 45 7.478 -6.993 -8.993
317 2HZ LYS 45 2HZ LYS 45 6.066 -7.701 -8.390
318 3HZ LYS 45 3HZ LYS 45 7.421 -7.539 -7.392
319 H GLY 46 H GLY 46 7.962 -4.972 -0.524
320 1HA GLY 46 2HA GLY 46 7.575 -7.542 0.547
321 2HA GLY 46 1HA GLY 46 9.270 -7.363 0.108
322 H ARG 47 H ARG 47 9.593 -7.622 2.468
323 HA ARG 47 HA ARG 47 8.777 -5.367 4.094
324 1HB ARG 47 2HB ARG 47 10.746 -7.310 5.157
325 2HB ARG 47 1HB ARG 47 9.313 -6.631 5.917
326 1HG ARG 47 2HG ARG 47 8.107 -8.145 4.102
327 2HG ARG 47 1HG ARG 47 9.610 -9.056 4.245
328 1HD ARG 47 2HD ARG 47 8.279 -8.207 6.755
329 2HD ARG 47 1HD ARG 47 7.506 -9.489 5.824
330 HE ARG 47 HE ARG 47 10.080 -10.306 5.976
331 1HH1 ARG 47 1HH1 ARG 47 7.761 -9.254 8.351
332 2HH1 ARG 47 2HH1 ARG 47 8.413 -10.240 9.616
333 1HH2 ARG 47 1HH2 ARG 47 10.946 -11.613 7.637
334 2HH2 ARG 47 2HH2 ARG 47 10.222 -11.583 9.210
335 H CYS 48 H CYS 48 10.069 -4.153 2.292
336 HA CYS 48 HA CYS 48 11.987 -3.058 1.626
337 1HB CYS 48 2HB CYS 48 11.575 -2.607 4.547
338 2HB CYS 48 1HB CYS 48 12.937 -1.845 3.738
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 -8.966 9.091 -9.861
2 2H LYS 1 2HT LYS 1 -7.415 9.524 -9.264
3 3H LYS 1 3HT LYS 1 -8.711 10.647 -9.191
4 HA LYS 1 HA LYS 1 -8.037 9.397 -7.110
5 1HB LYS 1 2HB LYS 1 -10.826 9.741 -8.203
6 2HB LYS 1 1HB LYS 1 -10.534 9.242 -6.543
7 1HG LYS 1 2HG LYS 1 -9.496 11.784 -7.778
8 2HG LYS 1 1HG LYS 1 -10.946 11.661 -6.778
9 1HD LYS 1 2HD LYS 1 -9.061 10.419 -5.228
10 2HD LYS 1 1HD LYS 1 -8.124 11.695 -6.008
11 1HE LYS 1 2HE LYS 1 -9.552 13.386 -5.162
12 2HE LYS 1 1HE LYS 1 -10.759 12.207 -4.648
13 1HZ LYS 1 1HZ LYS 1 -9.636 11.754 -2.767
14 2HZ LYS 1 2HZ LYS 1 -8.949 13.279 -3.016
15 3HZ LYS 1 3HZ LYS 1 -8.114 11.887 -3.494
16 HA PRO 2 HA PRO 2 -8.199 5.024 -8.639
17 1HB PRO 2 2HB PRO 2 -6.159 4.795 -6.505
18 2HB PRO 2 1HB PRO 2 -6.107 4.228 -8.177
19 1HG PRO 2 2HG PRO 2 -4.672 6.339 -7.394
20 2HG PRO 2 1HG PRO 2 -5.437 6.289 -8.994
21 1HD PRO 2 2HD PRO 2 -6.308 7.733 -6.520
22 2HD PRO 2 1HD PRO 2 -6.338 8.276 -8.211
23 H ASP 3 H ASP 3 -7.776 3.051 -6.821
24 HA ASP 3 HA ASP 3 -10.208 2.994 -5.384
25 1HB ASP 3 2HB ASP 3 -8.540 1.083 -6.277
26 2HB ASP 3 1HB ASP 3 -8.051 1.123 -4.586
27 H ALA 4 H ALA 4 -9.670 1.847 -2.967
28 HA ALA 4 HA ALA 4 -7.880 3.428 -1.399
29 1HB ALA 4 1HB ALA 4 -9.311 5.155 -1.180
30 2HB ALA 4 2HB ALA 4 -10.083 4.104 0.006
31 3HB ALA 4 3HB ALA 4 -10.712 4.187 -1.639
32 HA PRO 5 HA PRO 5 -10.893 0.635 1.577
33 1HB PRO 5 2HB PRO 5 -11.471 -1.010 -0.866
34 2HB PRO 5 1HB PRO 5 -12.429 -0.822 0.608
35 1HG PRO 5 2HG PRO 5 -12.928 0.562 -1.692
36 2HG PRO 5 1HG PRO 5 -13.337 1.161 -0.078
37 1HD PRO 5 2HD PRO 5 -11.373 2.188 -1.940
38 2HD PRO 5 1HD PRO 5 -11.865 2.857 -0.371
39 H CYS 6 H CYS 6 -9.867 -1.040 2.610
40 HA CYS 6 HA CYS 6 -7.482 -2.086 1.267
41 1HB CYS 6 2HB CYS 6 -7.283 -2.859 3.918
42 2HB CYS 6 1HB CYS 6 -6.484 -1.480 3.177
43 H ILE 7 H ILE 7 -9.521 -3.344 0.281
44 HA ILE 7 HA ILE 7 -9.256 -6.019 1.392
45 HB ILE 7 HB ILE 7 -11.884 -4.637 0.950
46 1HG1 ILE 7 2HG1 ILE 7 -10.543 -4.692 3.210
47 2HG1 ILE 7 1HG1 ILE 7 -12.283 -4.960 3.211
48 1HG2 ILE 7 1HG2 ILE 7 -11.163 -7.425 0.545
49 2HG2 ILE 7 2HG2 ILE 7 -12.639 -6.569 0.102
50 3HG2 ILE 7 3HG2 ILE 7 -12.457 -7.230 1.727
51 1HD1 ILE 7 1HD1 ILE 7 -10.827 -7.429 2.857
52 2HD1 ILE 7 2HD1 ILE 7 -12.046 -6.995 4.056
53 3HD1 ILE 7 3HD1 ILE 7 -10.352 -6.587 4.331
54 H CYS 8 H CYS 8 -7.920 -6.122 -0.539
55 HA CYS 8 HA CYS 8 -9.425 -6.223 -3.056
56 1HB CYS 8 2HB CYS 8 -6.704 -5.502 -2.318
57 2HB CYS 8 1HB CYS 8 -6.750 -6.662 -3.636
58 H THR 9 H THR 9 -7.332 -8.056 -0.943
59 HA THR 9 HA THR 9 -8.486 -10.548 -1.599
60 HB THR 9 HB THR 9 -7.214 -10.283 -3.670
61 HG1 THR 9 1HG THR 9 -6.496 -12.275 -3.618
62 1HG2 THR 9 1HG2 THR 9 -4.612 -10.568 -3.229
63 2HG2 THR 9 2HG2 THR 9 -5.026 -9.572 -1.835
64 3HG2 THR 9 3HG2 THR 9 -5.378 -8.999 -3.464
65 H MET 10 H MET 10 -6.302 -12.176 -1.126
66 HA MET 10 HA MET 10 -5.330 -11.329 1.508
67 1HB MET 10 2HB MET 10 -7.036 -13.598 0.876
68 2HB MET 10 1HB MET 10 -5.534 -14.115 1.632
69 1HG MET 10 2HG MET 10 -6.825 -11.835 2.937
70 2HG MET 10 1HG MET 10 -7.764 -13.325 2.960
71 1HE MET 10 1HE MET 10 -5.919 -12.206 6.199
72 2HE MET 10 2HE MET 10 -6.111 -11.231 4.742
73 3HE MET 10 3HE MET 10 -4.507 -11.770 5.236
74 H GLN 11 H GLN 11 -4.332 -11.551 -1.358
75 HA GLN 11 HA GLN 11 -2.319 -13.572 -1.354
76 1HB GLN 11 2HB GLN 11 -3.432 -11.981 -3.282
77 2HB GLN 11 1HB GLN 11 -1.858 -11.227 -3.067
78 1HG GLN 11 2HG GLN 11 -1.397 -13.991 -3.187
79 2HG GLN 11 1HG GLN 11 -2.553 -13.624 -4.466
80 1HE2 GLN 11 1HE2 GLN 11 -0.449 -14.450 -5.548
81 2HE2 GLN 11 2HE2 GLN 11 0.623 -13.212 -6.097
82 H TYR 12 H TYR 12 -1.874 -12.677 0.970
83 HA TYR 12 HA TYR 12 -0.625 -10.574 1.858
84 1HB TYR 12 2HB TYR 12 -0.734 -12.972 2.854
85 2HB TYR 12 1HB TYR 12 0.884 -13.146 2.190
86 HD1 TYR 12 1HD TYR 12 -0.198 -9.882 3.467
87 HD2 TYR 12 2HD TYR 12 1.793 -13.523 4.419
88 HE1 TYR 12 1HE TYR 12 0.736 -8.839 5.485
89 HE2 TYR 12 2HE TYR 12 2.731 -12.487 6.440
90 HH TYR 12 HH TYR 12 1.620 -9.542 7.680
91 H ASP 13 H ASP 13 0.243 -9.325 0.136
92 HA ASP 13 HA ASP 13 2.979 -10.122 -0.622
93 1HB ASP 13 2HB ASP 13 0.780 -9.491 -2.318
94 2HB ASP 13 1HB ASP 13 1.932 -8.164 -2.433
95 HA PRO 14 HA PRO 14 2.810 -6.318 2.134
96 1HB PRO 14 2HB PRO 14 5.259 -7.012 3.253
97 2HB PRO 14 1HB PRO 14 3.671 -7.329 3.956
98 1HG PRO 14 2HG PRO 14 5.431 -9.138 2.355
99 2HG PRO 14 1HG PRO 14 4.424 -9.512 3.767
100 1HD PRO 14 2HD PRO 14 3.632 -10.184 1.310
101 2HD PRO 14 1HD PRO 14 2.463 -9.569 2.501
102 H VAL 15 H VAL 15 3.135 -4.950 0.406
103 HA VAL 15 HA VAL 15 5.798 -4.748 -0.757
104 HB VAL 15 HB VAL 15 4.770 -3.243 -2.359
105 1HG1 VAL 15 1HG1 VAL 15 2.664 -5.144 -2.615
106 2HG1 VAL 15 2HG1 VAL 15 4.110 -5.965 -2.029
107 3HG1 VAL 15 3HG1 VAL 15 4.170 -5.033 -3.526
108 1HG2 VAL 15 1HG2 VAL 15 3.173 -1.994 -1.253
109 2HG2 VAL 15 2HG2 VAL 15 2.443 -3.411 -0.499
110 3HG2 VAL 15 3HG2 VAL 15 2.177 -3.090 -2.213
111 H CYS 16 H CYS 16 7.171 -3.317 -0.165
112 HA CYS 16 HA CYS 16 6.579 -1.434 1.906
113 1HB CYS 16 2HB CYS 16 8.851 -2.769 0.934
114 2HB CYS 16 1HB CYS 16 9.138 -1.059 0.713
115 H GLY 17 H GLY 17 5.764 0.520 1.582
116 1HA GLY 17 2HA GLY 17 6.213 1.740 -1.052
117 2HA GLY 17 1HA GLY 17 4.833 2.073 -0.023
118 H SER 18 H SER 18 6.848 3.784 -1.298
119 HA SER 18 HA SER 18 8.733 4.846 0.360
120 1HB SER 18 2HB SER 18 8.754 6.740 -1.007
121 2HB SER 18 1HB SER 18 8.064 5.516 -2.069
122 HG SER 18 HG SER 18 6.974 7.815 -1.193
123 H ASP 19 H ASP 19 8.303 4.946 2.390
124 HA ASP 19 HA ASP 19 7.284 7.147 3.648
125 1HB ASP 19 2HB ASP 19 5.071 6.165 2.687
126 2HB ASP 19 1HB ASP 19 5.245 4.943 3.938
127 H GLY 20 H GLY 20 7.934 3.767 3.573
128 1HA GLY 20 2HA GLY 20 9.507 2.759 5.042
129 2HA GLY 20 1HA GLY 20 9.011 3.893 6.296
130 H ILE 21 H ILE 21 6.739 2.247 4.201
131 HA ILE 21 HA ILE 21 5.956 0.586 6.515
132 HB ILE 21 HB ILE 21 4.078 1.954 4.604
133 1HG1 ILE 21 2HG1 ILE 21 5.381 2.868 6.998
134 2HG1 ILE 21 1HG1 ILE 21 4.285 3.742 5.935
135 1HG2 ILE 21 1HG2 ILE 21 3.564 0.202 7.001
136 2HG2 ILE 21 2HG2 ILE 21 3.181 -0.158 5.317
137 3HG2 ILE 21 3HG2 ILE 21 2.328 1.136 6.159
138 1HD1 ILE 21 1HD1 ILE 21 2.410 3.130 7.206
139 2HD1 ILE 21 2HD1 ILE 21 3.650 3.588 8.375
140 3HD1 ILE 21 3HD1 ILE 21 3.305 1.884 8.076
141 H THR 22 H THR 22 5.117 -1.421 6.142
142 HA THR 22 HA THR 22 5.493 -2.471 3.417
143 HB THR 22 HB THR 22 5.359 -4.114 5.946
144 HG1 THR 22 1HG THR 22 7.740 -4.125 5.610
145 1HG2 THR 22 1HG2 THR 22 5.320 -4.933 3.357
146 2HG2 THR 22 2HG2 THR 22 5.907 -5.890 4.716
147 3HG2 THR 22 3HG2 THR 22 7.044 -4.977 3.724
148 H TYR 23 H TYR 23 3.545 -2.165 2.512
149 HA TYR 23 HA TYR 23 1.093 -2.687 3.920
150 1HB TYR 23 2HB TYR 23 1.505 -2.081 0.995
151 2HB TYR 23 1HB TYR 23 0.032 -1.857 1.938
152 HD1 TYR 23 1HD TYR 23 3.186 -0.426 0.952
153 HD2 TYR 23 2HD TYR 23 0.019 -0.136 3.779
154 HE1 TYR 23 1HE TYR 23 3.944 1.832 1.561
155 HE2 TYR 23 2HE TYR 23 0.765 2.128 4.385
156 HH TYR 23 HH TYR 23 2.249 3.728 4.042
157 H GLY 24 H GLY 24 0.062 -4.532 4.056
158 1HA GLY 24 2HA GLY 24 0.849 -7.001 3.289
159 2HA GLY 24 1HA GLY 24 -0.847 -6.570 3.459
160 H ASN 25 H ASN 25 -0.569 -4.608 1.276
161 HA ASN 25 HA ASN 25 0.212 -5.902 -1.090
162 1HB ASN 25 2HB ASN 25 -2.294 -6.015 -1.953
163 2HB ASN 25 1HB ASN 25 -1.524 -7.385 -1.164
164 1HD2 ASN 25 1HD2 ASN 25 -2.933 -8.373 0.081
165 2HD2 ASN 25 2HD2 ASN 25 -4.076 -7.611 1.124
166 H ALA 26 H ALA 26 -0.050 -4.614 -2.923
167 HA ALA 26 HA ALA 26 0.174 -1.909 -2.652
168 1HB ALA 26 1HB ALA 26 -0.846 -3.489 -5.006
169 2HB ALA 26 2HB ALA 26 0.806 -2.950 -4.702
170 3HB ALA 26 3HB ALA 26 -0.452 -1.772 -5.076
171 H CYS 27 H CYS 27 -2.686 -3.808 -2.628
172 HA CYS 27 HA CYS 27 -4.492 -1.630 -3.133
173 1HB CYS 27 2HB CYS 27 -4.766 -4.521 -2.514
174 2HB CYS 27 1HB CYS 27 -6.113 -3.479 -2.061
175 H MET 28 H MET 28 -3.557 -3.553 -0.284
176 HA MET 28 HA MET 28 -4.994 -2.234 1.684
177 1HB MET 28 2HB MET 28 -2.263 -3.448 1.569
178 2HB MET 28 1HB MET 28 -2.713 -2.533 2.999
179 1HG MET 28 2HG MET 28 -4.785 -4.402 2.290
180 2HG MET 28 1HG MET 28 -3.236 -5.215 2.497
181 1HE MET 28 1HE MET 28 -1.658 -4.182 4.913
182 2HE MET 28 2HE MET 28 -2.204 -5.807 4.503
183 3HE MET 28 3HE MET 28 -2.487 -5.165 6.121
184 H LEU 29 H LEU 29 -2.147 -1.436 -0.091
185 HA LEU 29 HA LEU 29 -1.295 0.907 1.130
186 1HB LEU 29 2HB LEU 29 -0.790 -0.589 -1.210
187 2HB LEU 29 1HB LEU 29 -1.065 1.053 -1.723
188 HG LEU 29 HG LEU 29 1.119 -0.055 -0.030
189 1HD1 LEU 29 1HD1 LEU 29 1.445 0.332 -2.429
190 2HD1 LEU 29 2HD1 LEU 29 2.478 1.374 -1.450
191 3HD1 LEU 29 3HD1 LEU 29 1.026 2.029 -2.204
192 1HD2 LEU 29 1HD2 LEU 29 -0.046 2.703 0.160
193 2HD2 LEU 29 2HD2 LEU 29 1.651 2.393 0.519
194 3HD2 LEU 29 3HD2 LEU 29 0.391 1.603 1.461
195 H LEU 30 H LEU 30 -3.446 0.391 -1.613
196 HA LEU 30 HA LEU 30 -4.181 2.999 -2.112
197 1HB LEU 30 2HB LEU 30 -5.553 0.358 -2.399
198 2HB LEU 30 1HB LEU 30 -6.500 1.813 -2.635
199 HG LEU 30 HG LEU 30 -3.929 1.497 -4.115
200 1HD1 LEU 30 1HD1 LEU 30 -5.611 0.542 -5.943
201 2HD1 LEU 30 2HD1 LEU 30 -6.390 -0.103 -4.498
202 3HD1 LEU 30 3HD1 LEU 30 -4.709 -0.504 -4.847
203 1HD2 LEU 30 1HD2 LEU 30 -4.872 3.590 -4.475
204 2HD2 LEU 30 2HD2 LEU 30 -6.518 2.958 -4.481
205 3HD2 LEU 30 3HD2 LEU 30 -5.453 2.656 -5.854
206 H CYS 31 H CYS 31 -5.111 0.820 0.473
207 HA CYS 31 HA CYS 31 -7.205 2.554 1.458
208 1HB CYS 31 2HB CYS 31 -6.982 0.011 1.862
209 2HB CYS 31 1HB CYS 31 -5.792 0.439 3.087
210 H ALA 32 H ALA 32 -3.799 2.150 1.850
211 HA ALA 32 HA ALA 32 -3.460 3.684 4.212
212 1HB ALA 32 1HB ALA 32 -1.843 2.051 2.776
213 2HB ALA 32 2HB ALA 32 -1.276 3.180 4.005
214 3HB ALA 32 3HB ALA 32 -1.234 3.636 2.302
215 H SER 33 H SER 33 -2.640 4.426 0.827
216 HA SER 33 HA SER 33 -2.277 7.185 1.268
217 1HB SER 33 2HB SER 33 -2.492 5.400 -1.070
218 2HB SER 33 1HB SER 33 -2.971 7.072 -1.366
219 HG SER 33 HG SER 33 -0.774 7.226 0.021
220 H ALA 34 H ALA 34 -5.083 5.305 1.207
221 HA ALA 34 HA ALA 34 -6.856 7.357 0.229
222 1HB ALA 34 1HB ALA 34 -7.215 4.581 1.268
223 2HB ALA 34 2HB ALA 34 -7.639 5.256 -0.305
224 3HB ALA 34 3HB ALA 34 -8.604 5.657 1.116
225 H ARG 35 H ARG 35 -5.745 6.233 3.371
226 HA ARG 35 HA ARG 35 -7.192 8.469 4.585
227 1HB ARG 35 2HB ARG 35 -7.753 6.841 6.527
228 2HB ARG 35 1HB ARG 35 -8.772 6.856 5.094
229 1HG ARG 35 2HG ARG 35 -8.322 4.585 5.818
230 2HG ARG 35 1HG ARG 35 -7.602 4.894 4.235
231 1HD ARG 35 2HD ARG 35 -6.077 3.647 5.687
232 2HD ARG 35 1HD ARG 35 -5.425 5.232 5.273
233 HE ARG 35 HE ARG 35 -5.645 5.882 7.485
234 1HH1 ARG 35 1HH1 ARG 35 -7.099 2.758 6.977
235 2HH1 ARG 35 2HH1 ARG 35 -7.261 2.416 8.668
236 1HH2 ARG 35 1HH2 ARG 35 -5.857 5.441 9.714
237 2HH2 ARG 35 2HH2 ARG 35 -6.555 3.939 10.222
238 H SER 36 H SER 36 -4.345 7.896 4.026
239 HA SER 36 HA SER 36 -3.227 7.501 6.684
240 1HB SER 36 2HB SER 36 -2.158 6.357 4.816
241 2HB SER 36 1HB SER 36 -1.878 7.892 4.003
242 HG SER 36 HG SER 36 -0.278 8.331 5.343
243 H ASP 37 H ASP 37 -1.641 9.643 4.451
244 HA ASP 37 HA ASP 37 -2.612 12.106 5.297
245 1HB ASP 37 2HB ASP 37 -0.569 12.719 6.751
246 2HB ASP 37 1HB ASP 37 -1.862 11.781 7.491
247 H THR 38 H THR 38 0.113 10.191 4.231
248 HA THR 38 HA THR 38 0.871 12.383 2.419
249 HB THR 38 HB THR 38 2.823 10.420 3.620
250 HG1 THR 38 1HG THR 38 3.423 12.516 4.760
251 1HG2 THR 38 1HG2 THR 38 4.526 11.701 2.752
252 2HG2 THR 38 2HG2 THR 38 3.497 13.117 2.540
253 3HG2 THR 38 3HG2 THR 38 3.329 11.735 1.456
254 HA PRO 39 HA PRO 39 0.042 9.431 -0.773
255 1HB PRO 39 2HB PRO 39 1.954 11.037 -2.361
256 2HB PRO 39 1HB PRO 39 0.259 10.661 -2.685
257 1HG PRO 39 2HG PRO 39 1.018 13.107 -1.907
258 2HG PRO 39 1HG PRO 39 -0.517 12.397 -1.373
259 1HD PRO 39 2HD PRO 39 2.061 12.686 0.115
260 2HD PRO 39 1HD PRO 39 0.394 12.871 0.697
261 H ILE 40 H ILE 40 1.167 7.667 0.194
262 HA ILE 40 HA ILE 40 3.961 7.306 0.107
263 HB ILE 40 HB ILE 40 3.481 4.958 0.567
264 1HG1 ILE 40 2HG1 ILE 40 1.082 5.569 -0.878
265 2HG1 ILE 40 1HG1 ILE 40 1.675 4.000 -0.359
266 1HG2 ILE 40 1HG2 ILE 40 2.294 5.253 2.637
267 2HG2 ILE 40 2HG2 ILE 40 1.538 6.730 2.045
268 3HG2 ILE 40 3HG2 ILE 40 3.276 6.687 2.347
269 1HD1 ILE 40 1HD1 ILE 40 -0.627 4.536 0.393
270 2HD1 ILE 40 2HD1 ILE 40 0.044 5.840 1.372
271 3HD1 ILE 40 3HD1 ILE 40 0.489 4.167 1.708
272 H GLU 41 H GLU 41 5.090 5.608 -1.223
273 HA GLU 41 HA GLU 41 3.849 5.052 -3.806
274 1HB GLU 41 2HB GLU 41 5.911 7.101 -3.410
275 2HB GLU 41 1HB GLU 41 6.287 5.945 -4.679
276 1HG GLU 41 2HG GLU 41 3.693 6.535 -5.236
277 2HG GLU 41 1HG GLU 41 4.282 8.069 -4.598
278 H LEU 42 H LEU 42 4.091 2.916 -3.865
279 HA LEU 42 HA LEU 42 5.649 1.179 -2.648
280 1HB LEU 42 2HB LEU 42 4.384 1.195 -5.191
281 2HB LEU 42 1HB LEU 42 5.919 0.375 -5.338
282 HG LEU 42 HG LEU 42 3.778 -0.984 -4.743
283 1HD1 LEU 42 1HD1 LEU 42 5.197 -2.629 -4.218
284 2HD1 LEU 42 2HD1 LEU 42 5.860 -1.744 -2.843
285 3HD1 LEU 42 3HD1 LEU 42 6.458 -1.422 -4.471
286 1HD2 LEU 42 1HD2 LEU 42 2.886 -0.779 -2.708
287 2HD2 LEU 42 2HD2 LEU 42 3.733 0.766 -2.633
288 3HD2 LEU 42 3HD2 LEU 42 4.463 -0.676 -1.929
289 H VAL 43 H VAL 43 7.654 0.216 -2.803
290 HA VAL 43 HA VAL 43 9.661 1.514 -4.495
291 HB VAL 43 HB VAL 43 10.293 1.060 -1.598
292 1HG1 VAL 43 1HG1 VAL 43 11.994 2.809 -2.080
293 2HG1 VAL 43 2HG1 VAL 43 11.481 2.783 -3.767
294 3HG1 VAL 43 3HG1 VAL 43 12.190 1.342 -3.039
295 1HG2 VAL 43 1HG2 VAL 43 8.580 2.572 -1.283
296 2HG2 VAL 43 2HG2 VAL 43 8.860 3.372 -2.829
297 3HG2 VAL 43 3HG2 VAL 43 9.969 3.642 -1.485
298 H HIS 44 H HIS 44 8.866 -1.082 -2.251
299 HA HIS 44 HA HIS 44 10.322 -2.954 -3.888
300 1HB HIS 44 2HB HIS 44 11.188 -3.632 -1.300
301 2HB HIS 44 1HB HIS 44 12.173 -3.049 -2.638
302 HD1 HIS 44 1HD HIS 44 12.646 -0.452 -2.694
303 HD2 HIS 44 2HD HIS 44 10.830 -1.856 0.770
304 HE1 HIS 44 1HE HIS 44 12.889 1.402 -1.015
305 HE2 HIS 44 2HE HIS 44 11.654 0.588 1.020
306 H LYS 45 H LYS 45 9.063 -4.655 -4.110
307 HA LYS 45 HA LYS 45 6.742 -5.050 -2.526
308 1HB LYS 45 2HB LYS 45 8.048 -6.941 -4.491
309 2HB LYS 45 1HB LYS 45 6.405 -7.063 -3.879
310 1HG LYS 45 2HG LYS 45 6.012 -4.769 -4.891
311 2HG LYS 45 1HG LYS 45 7.552 -4.993 -5.724
312 1HD LYS 45 2HD LYS 45 5.923 -5.723 -7.251
313 2HD LYS 45 1HD LYS 45 6.589 -7.202 -6.558
314 1HE LYS 45 2HE LYS 45 4.695 -7.314 -5.004
315 2HE LYS 45 1HE LYS 45 4.028 -5.848 -5.719
316 1HZ LYS 45 1HZ LYS 45 3.043 -7.953 -6.559
317 2HZ LYS 45 2HZ LYS 45 4.539 -8.336 -7.250
318 3HZ LYS 45 3HZ LYS 45 3.693 -6.967 -7.773
319 H GLY 46 H GLY 46 8.084 -5.062 -0.462
320 1HA GLY 46 2HA GLY 46 7.989 -7.583 0.720
321 2HA GLY 46 1HA GLY 46 9.658 -7.291 0.243
322 H ARG 47 H ARG 47 9.797 -7.496 2.706
323 HA ARG 47 HA ARG 47 8.923 -5.174 4.172
324 1HB ARG 47 2HB ARG 47 10.911 -7.179 5.205
325 2HB ARG 47 1HB ARG 47 9.722 -6.243 6.102
326 1HG ARG 47 2HG ARG 47 7.944 -7.608 5.365
327 2HG ARG 47 1HG ARG 47 8.950 -8.377 4.135
328 1HD ARG 47 2HD ARG 47 9.577 -9.943 5.580
329 2HD ARG 47 1HD ARG 47 10.180 -8.712 6.690
330 HE ARG 47 HE ARG 47 7.398 -8.850 6.950
331 1HH1 ARG 47 1HH1 ARG 47 10.227 -10.773 7.586
332 2HH1 ARG 47 2HH1 ARG 47 9.508 -11.631 8.907
333 1HH2 ARG 47 1HH2 ARG 47 6.437 -9.974 8.690
334 2HH2 ARG 47 2HH2 ARG 47 7.352 -11.178 9.534
335 H CYS 48 H CYS 48 10.210 -4.037 2.292
336 HA CYS 48 HA CYS 48 12.065 -2.860 1.607
337 1HB CYS 48 2HB CYS 48 11.659 -2.328 4.517
338 2HB CYS 48 1HB CYS 48 12.965 -1.525 3.655
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 -12.780 5.769 -6.144
2 2H LYS 1 2HT LYS 1 -13.923 6.692 -7.034
3 3H LYS 1 3HT LYS 1 -12.499 7.436 -6.430
4 HA LYS 1 HA LYS 1 -12.937 5.927 -8.802
5 1HB LYS 1 2HB LYS 1 -12.153 8.050 -9.190
6 2HB LYS 1 1HB LYS 1 -11.205 8.087 -7.710
7 1HG LYS 1 2HG LYS 1 -9.383 7.110 -8.688
8 2HG LYS 1 1HG LYS 1 -10.348 6.265 -9.900
9 1HD LYS 1 2HD LYS 1 -10.075 9.258 -9.883
10 2HD LYS 1 1HD LYS 1 -8.904 8.219 -10.696
11 1HE LYS 1 2HE LYS 1 -11.871 8.196 -11.235
12 2HE LYS 1 1HE LYS 1 -10.691 9.092 -12.192
13 1HZ LYS 1 1HZ LYS 1 -9.593 6.695 -12.265
14 2HZ LYS 1 2HZ LYS 1 -10.748 7.198 -13.396
15 3HZ LYS 1 3HZ LYS 1 -11.210 6.226 -12.090
16 HA PRO 2 HA PRO 2 -8.825 3.839 -7.492
17 1HB PRO 2 2HB PRO 2 -7.796 4.318 -5.053
18 2HB PRO 2 1HB PRO 2 -7.507 5.400 -6.421
19 1HG PRO 2 2HG PRO 2 -9.437 5.685 -4.155
20 2HG PRO 2 1HG PRO 2 -8.412 6.914 -4.915
21 1HD PRO 2 2HD PRO 2 -11.079 6.585 -5.467
22 2HD PRO 2 1HD PRO 2 -9.911 7.294 -6.601
23 H ASP 3 H ASP 3 -8.034 2.273 -5.544
24 HA ASP 3 HA ASP 3 -10.487 0.926 -4.639
25 1HB ASP 3 2HB ASP 3 -8.097 -0.016 -5.931
26 2HB ASP 3 1HB ASP 3 -8.285 -0.821 -4.376
27 H ALA 4 H ALA 4 -9.759 2.990 -3.059
28 HA ALA 4 HA ALA 4 -7.976 2.903 -1.087
29 1HB ALA 4 1HB ALA 4 -9.980 3.613 0.461
30 2HB ALA 4 2HB ALA 4 -10.857 3.642 -1.070
31 3HB ALA 4 3HB ALA 4 -9.428 4.653 -0.853
32 HA PRO 5 HA PRO 5 -11.079 -0.287 1.399
33 1HB PRO 5 2HB PRO 5 -11.018 -1.857 -1.165
34 2HB PRO 5 1HB PRO 5 -12.194 -1.922 0.156
35 1HG PRO 5 2HG PRO 5 -12.650 -0.502 -2.096
36 2HG PRO 5 1HG PRO 5 -13.261 0.005 -0.512
37 1HD PRO 5 2HD PRO 5 -11.195 1.238 -2.171
38 2HD PRO 5 1HD PRO 5 -12.017 1.891 -0.740
39 H CYS 6 H CYS 6 -9.701 -1.332 2.687
40 HA CYS 6 HA CYS 6 -7.156 -2.237 1.596
41 1HB CYS 6 2HB CYS 6 -7.225 -2.737 4.380
42 2HB CYS 6 1HB CYS 6 -6.317 -1.498 3.526
43 H ILE 7 H ILE 7 -9.194 -3.765 0.724
44 HA ILE 7 HA ILE 7 -8.469 -6.339 1.822
45 HB ILE 7 HB ILE 7 -11.273 -5.279 1.848
46 1HG1 ILE 7 2HG1 ILE 7 -9.480 -6.508 3.952
47 2HG1 ILE 7 1HG1 ILE 7 -10.021 -4.834 3.868
48 1HG2 ILE 7 1HG2 ILE 7 -11.492 -7.846 2.752
49 2HG2 ILE 7 2HG2 ILE 7 -10.301 -8.021 1.462
50 3HG2 ILE 7 3HG2 ILE 7 -11.882 -7.323 1.113
51 1HD1 ILE 7 1HD1 ILE 7 -11.644 -7.273 4.514
52 2HD1 ILE 7 2HD1 ILE 7 -12.367 -5.709 4.140
53 3HD1 ILE 7 3HD1 ILE 7 -11.307 -5.879 5.540
54 H CYS 8 H CYS 8 -7.532 -5.819 -0.446
55 HA CYS 8 HA CYS 8 -9.330 -6.216 -2.665
56 1HB CYS 8 2HB CYS 8 -6.547 -5.468 -2.261
57 2HB CYS 8 1HB CYS 8 -6.739 -6.611 -3.580
58 H THR 9 H THR 9 -6.908 -8.029 -0.911
59 HA THR 9 HA THR 9 -8.122 -10.531 -1.360
60 HB THR 9 HB THR 9 -7.227 -10.377 -3.588
61 HG1 THR 9 1HG THR 9 -6.674 -12.370 -3.361
62 1HG2 THR 9 1HG2 THR 9 -4.573 -9.779 -2.325
63 2HG2 THR 9 2HG2 THR 9 -5.525 -8.705 -3.349
64 3HG2 THR 9 3HG2 THR 9 -4.821 -10.173 -4.026
65 H MET 10 H MET 10 -6.809 -12.296 -0.408
66 HA MET 10 HA MET 10 -5.207 -11.221 1.780
67 1HB MET 10 2HB MET 10 -6.770 -13.701 1.328
68 2HB MET 10 1HB MET 10 -5.300 -13.887 2.275
69 1HG MET 10 2HG MET 10 -6.390 -11.722 3.468
70 2HG MET 10 1HG MET 10 -7.840 -12.586 2.959
71 1HE MET 10 1HE MET 10 -8.979 -14.050 4.753
72 2HE MET 10 2HE MET 10 -8.424 -12.571 5.538
73 3HE MET 10 3HE MET 10 -8.210 -14.130 6.337
74 H GLN 11 H GLN 11 -4.432 -11.575 -1.131
75 HA GLN 11 HA GLN 11 -2.405 -13.577 -1.185
76 1HB GLN 11 2HB GLN 11 -3.663 -11.984 -3.071
77 2HB GLN 11 1HB GLN 11 -2.021 -11.357 -3.039
78 1HG GLN 11 2HG GLN 11 -1.255 -13.758 -3.310
79 2HG GLN 11 1HG GLN 11 -2.936 -14.141 -3.680
80 1HE2 GLN 11 1HE2 GLN 11 -0.561 -14.343 -5.361
81 2HE2 GLN 11 2HE2 GLN 11 -0.877 -13.372 -6.754
82 H TYR 12 H TYR 12 -1.817 -12.570 1.067
83 HA TYR 12 HA TYR 12 -0.570 -10.463 1.853
84 1HB TYR 12 2HB TYR 12 -0.266 -13.131 2.510
85 2HB TYR 12 1HB TYR 12 1.379 -12.610 2.160
86 HD1 TYR 12 1HD TYR 12 2.291 -12.642 4.347
87 HD2 TYR 12 2HD TYR 12 -1.310 -10.503 3.593
88 HE1 TYR 12 1HE TYR 12 2.438 -11.617 6.578
89 HE2 TYR 12 2HE TYR 12 -1.172 -9.473 5.821
90 HH TYR 12 HH TYR 12 1.258 -9.114 7.535
91 H ASP 13 H ASP 13 0.004 -9.176 0.041
92 HA ASP 13 HA ASP 13 2.657 -9.801 -1.074
93 1HB ASP 13 2HB ASP 13 0.332 -9.229 -2.458
94 2HB ASP 13 1HB ASP 13 1.138 -7.665 -2.395
95 HA PRO 14 HA PRO 14 2.776 -6.272 2.047
96 1HB PRO 14 2HB PRO 14 5.208 -7.145 3.034
97 2HB PRO 14 1HB PRO 14 3.628 -7.486 3.745
98 1HG PRO 14 2HG PRO 14 5.301 -9.184 1.942
99 2HG PRO 14 1HG PRO 14 4.328 -9.658 3.347
100 1HD PRO 14 2HD PRO 14 3.454 -10.080 0.857
101 2HD PRO 14 1HD PRO 14 2.335 -9.582 2.145
102 H VAL 15 H VAL 15 3.103 -4.816 0.365
103 HA VAL 15 HA VAL 15 5.766 -4.647 -0.827
104 HB VAL 15 HB VAL 15 4.806 -3.170 -2.419
105 1HG1 VAL 15 1HG1 VAL 15 3.691 -4.741 -3.553
106 2HG1 VAL 15 2HG1 VAL 15 2.442 -4.870 -2.315
107 3HG1 VAL 15 3HG1 VAL 15 3.958 -5.754 -2.135
108 1HG2 VAL 15 1HG2 VAL 15 3.496 -1.769 -0.957
109 2HG2 VAL 15 2HG2 VAL 15 2.369 -3.092 -0.653
110 3HG2 VAL 15 3HG2 VAL 15 2.473 -2.374 -2.260
111 H CYS 16 H CYS 16 7.189 -3.303 -0.153
112 HA CYS 16 HA CYS 16 6.619 -1.481 1.979
113 1HB CYS 16 2HB CYS 16 8.867 -2.848 0.988
114 2HB CYS 16 1HB CYS 16 9.214 -1.139 0.861
115 H GLY 17 H GLY 17 5.831 0.474 1.685
116 1HA GLY 17 2HA GLY 17 6.266 1.743 -0.916
117 2HA GLY 17 1HA GLY 17 4.921 2.080 0.152
118 H SER 18 H SER 18 6.962 3.736 -1.174
119 HA SER 18 HA SER 18 8.877 4.780 0.470
120 1HB SER 18 2HB SER 18 8.900 5.644 -1.705
121 2HB SER 18 1HB SER 18 7.177 6.014 -1.679
122 HG SER 18 HG SER 18 9.242 7.366 -0.280
123 H ASP 19 H ASP 19 8.387 4.889 2.507
124 HA ASP 19 HA ASP 19 7.448 7.158 3.698
125 1HB ASP 19 2HB ASP 19 5.263 5.577 2.742
126 2HB ASP 19 1HB ASP 19 5.258 5.518 4.503
127 H GLY 20 H GLY 20 7.921 3.745 3.707
128 1HA GLY 20 2HA GLY 20 9.426 2.741 5.268
129 2HA GLY 20 1HA GLY 20 8.874 3.894 6.478
130 H ILE 21 H ILE 21 6.749 2.111 4.285
131 HA ILE 21 HA ILE 21 5.948 0.444 6.578
132 HB ILE 21 HB ILE 21 4.099 2.126 4.909
133 1HG1 ILE 21 2HG1 ILE 21 5.207 3.169 6.889
134 2HG1 ILE 21 1HG1 ILE 21 3.452 3.105 7.017
135 1HG2 ILE 21 1HG2 ILE 21 3.048 -0.007 5.065
136 2HG2 ILE 21 2HG2 ILE 21 2.275 1.041 6.253
137 3HG2 ILE 21 3HG2 ILE 21 3.463 -0.154 6.771
138 1HD1 ILE 21 1HD1 ILE 21 4.520 0.740 8.169
139 2HD1 ILE 21 2HD1 ILE 21 3.626 2.047 8.945
140 3HD1 ILE 21 3HD1 ILE 21 5.383 2.131 8.826
141 H THR 22 H THR 22 5.395 -1.590 6.153
142 HA THR 22 HA THR 22 5.505 -2.479 3.364
143 HB THR 22 HB THR 22 5.398 -4.301 5.758
144 HG1 THR 22 1HG THR 22 7.293 -3.644 6.323
145 1HG2 THR 22 1HG2 THR 22 7.023 -4.763 3.315
146 2HG2 THR 22 2HG2 THR 22 5.280 -5.028 3.256
147 3HG2 THR 22 3HG2 THR 22 6.272 -5.923 4.410
148 H TYR 23 H TYR 23 3.536 -2.101 2.556
149 HA TYR 23 HA TYR 23 1.126 -2.613 4.021
150 1HB TYR 23 2HB TYR 23 1.477 -1.945 1.102
151 2HB TYR 23 1HB TYR 23 0.027 -1.723 2.079
152 HD1 TYR 23 1HD TYR 23 0.089 -0.052 3.977
153 HD2 TYR 23 2HD TYR 23 3.190 -0.322 1.075
154 HE1 TYR 23 1HE TYR 23 0.903 2.174 4.639
155 HE2 TYR 23 2HE TYR 23 4.004 1.904 1.729
156 HH TYR 23 HH TYR 23 2.375 3.784 4.267
157 H GLY 24 H GLY 24 -0.028 -4.390 4.096
158 1HA GLY 24 2HA GLY 24 0.665 -6.883 3.354
159 2HA GLY 24 1HA GLY 24 -1.014 -6.379 3.467
160 H ASN 25 H ASN 25 -0.551 -4.436 1.270
161 HA ASN 25 HA ASN 25 0.254 -5.745 -1.057
162 1HB ASN 25 2HB ASN 25 -2.247 -5.896 -1.963
163 2HB ASN 25 1HB ASN 25 -1.455 -7.254 -1.173
164 1HD2 ASN 25 1HD2 ASN 25 -2.864 -8.279 0.084
165 2HD2 ASN 25 2HD2 ASN 25 -4.014 -7.520 1.124
166 H ALA 26 H ALA 26 -0.002 -4.493 -2.931
167 HA ALA 26 HA ALA 26 0.185 -1.784 -2.696
168 1HB ALA 26 1HB ALA 26 -0.479 -3.604 -4.939
169 2HB ALA 26 2HB ALA 26 0.836 -2.439 -4.773
170 3HB ALA 26 3HB ALA 26 -0.789 -1.885 -5.176
171 H CYS 27 H CYS 27 -2.655 -3.724 -2.670
172 HA CYS 27 HA CYS 27 -4.494 -1.580 -3.184
173 1HB CYS 27 2HB CYS 27 -4.691 -4.460 -2.619
174 2HB CYS 27 1HB CYS 27 -6.013 -3.491 -1.975
175 H MET 28 H MET 28 -3.568 -3.480 -0.318
176 HA MET 28 HA MET 28 -4.962 -2.154 1.662
177 1HB MET 28 2HB MET 28 -2.221 -3.338 1.506
178 2HB MET 28 1HB MET 28 -2.640 -2.399 2.927
179 1HG MET 28 2HG MET 28 -4.722 -4.285 2.347
180 2HG MET 28 1HG MET 28 -3.163 -5.099 2.471
181 1HE MET 28 1HE MET 28 -5.234 -5.536 5.810
182 2HE MET 28 2HE MET 28 -5.455 -5.772 4.076
183 3HE MET 28 3HE MET 28 -6.153 -4.360 4.872
184 H LEU 29 H LEU 29 -2.067 -1.363 -0.068
185 HA LEU 29 HA LEU 29 -1.262 0.995 1.117
186 1HB LEU 29 2HB LEU 29 -0.736 -0.506 -1.217
187 2HB LEU 29 1HB LEU 29 -1.024 1.130 -1.739
188 HG LEU 29 HG LEU 29 1.221 0.004 -0.180
189 1HD1 LEU 29 1HD1 LEU 29 1.302 0.757 -2.577
190 2HD1 LEU 29 2HD1 LEU 29 2.499 1.510 -1.521
191 3HD1 LEU 29 3HD1 LEU 29 1.056 2.403 -1.996
192 1HD2 LEU 29 1HD2 LEU 29 0.007 2.694 0.367
193 2HD2 LEU 29 2HD2 LEU 29 1.714 2.368 0.648
194 3HD2 LEU 29 3HD2 LEU 29 0.487 1.456 1.516
195 H LEU 30 H LEU 30 -3.350 0.484 -1.674
196 HA LEU 30 HA LEU 30 -4.088 3.088 -2.168
197 1HB LEU 30 2HB LEU 30 -5.476 0.459 -2.489
198 2HB LEU 30 1HB LEU 30 -6.388 1.927 -2.758
199 HG LEU 30 HG LEU 30 -3.929 1.028 -4.253
200 1HD1 LEU 30 1HD1 LEU 30 -5.948 1.528 -6.043
201 2HD1 LEU 30 2HD1 LEU 30 -6.795 0.792 -4.683
202 3HD1 LEU 30 3HD1 LEU 30 -5.458 -0.060 -5.454
203 1HD2 LEU 30 1HD2 LEU 30 -4.863 3.664 -3.785
204 2HD2 LEU 30 2HD2 LEU 30 -5.199 3.258 -5.468
205 3HD2 LEU 30 3HD2 LEU 30 -3.554 3.133 -4.842
206 H CYS 31 H CYS 31 -5.097 0.862 0.349
207 HA CYS 31 HA CYS 31 -7.186 2.589 1.331
208 1HB CYS 31 2HB CYS 31 -6.669 -0.037 1.733
209 2HB CYS 31 1HB CYS 31 -5.935 0.635 3.188
210 H ALA 32 H ALA 32 -3.785 2.084 1.860
211 HA ALA 32 HA ALA 32 -3.462 3.532 4.247
212 1HB ALA 32 1HB ALA 32 -1.494 3.132 1.995
213 2HB ALA 32 2HB ALA 32 -1.738 2.037 3.356
214 3HB ALA 32 3HB ALA 32 -1.101 3.659 3.631
215 H SER 33 H SER 33 -2.871 4.498 0.869
216 HA SER 33 HA SER 33 -2.467 7.228 1.444
217 1HB SER 33 2HB SER 33 -2.459 5.600 -0.855
218 2HB SER 33 1HB SER 33 -3.656 6.857 -1.164
219 HG SER 33 HG SER 33 -1.905 7.929 -1.699
220 H ALA 34 H ALA 34 -5.286 5.309 1.408
221 HA ALA 34 HA ALA 34 -7.112 7.506 0.899
222 1HB ALA 34 1HB ALA 34 -8.383 5.839 0.185
223 2HB ALA 34 2HB ALA 34 -8.533 5.275 1.850
224 3HB ALA 34 3HB ALA 34 -7.244 4.653 0.822
225 H ARG 35 H ARG 35 -5.583 6.163 3.668
226 HA ARG 35 HA ARG 35 -7.436 7.690 5.368
227 1HB ARG 35 2HB ARG 35 -7.110 5.827 7.100
228 2HB ARG 35 1HB ARG 35 -8.199 5.515 5.757
229 1HG ARG 35 2HG ARG 35 -6.972 3.820 5.012
230 2HG ARG 35 1HG ARG 35 -5.465 4.722 5.176
231 1HD ARG 35 2HD ARG 35 -6.853 2.946 7.126
232 2HD ARG 35 1HD ARG 35 -5.149 3.011 6.680
233 HE ARG 35 HE ARG 35 -6.401 4.407 8.807
234 1HH1 ARG 35 1HH1 ARG 35 -3.908 4.719 6.395
235 2HH1 ARG 35 2HH1 ARG 35 -2.976 5.846 7.321
236 1HH2 ARG 35 1HH2 ARG 35 -5.183 5.888 10.031
237 2HH2 ARG 35 2HH2 ARG 35 -3.700 6.511 9.389
238 H SER 36 H SER 36 -4.332 7.395 4.383
239 HA SER 36 HA SER 36 -3.088 7.805 6.970
240 1HB SER 36 2HB SER 36 -1.935 6.414 5.337
241 2HB SER 36 1HB SER 36 -1.912 7.743 4.182
242 HG SER 36 HG SER 36 0.041 7.353 5.543
243 H ASP 37 H ASP 37 -1.845 9.576 4.263
244 HA ASP 37 HA ASP 37 -3.141 12.016 4.560
245 1HB ASP 37 2HB ASP 37 -1.672 11.506 6.833
246 2HB ASP 37 1HB ASP 37 -0.566 12.488 5.878
247 H THR 38 H THR 38 -0.199 10.274 3.861
248 HA THR 38 HA THR 38 0.418 12.246 1.759
249 HB THR 38 HB THR 38 2.616 10.470 2.419
250 HG1 THR 38 1HG THR 38 2.990 11.256 4.488
251 1HG2 THR 38 1HG2 THR 38 2.167 13.325 1.952
252 2HG2 THR 38 2HG2 THR 38 3.502 12.282 1.459
253 3HG2 THR 38 3HG2 THR 38 3.458 12.946 3.093
254 HA PRO 39 HA PRO 39 -0.082 9.011 -1.191
255 1HB PRO 39 2HB PRO 39 1.249 10.054 -3.270
256 2HB PRO 39 1HB PRO 39 -0.244 10.788 -2.672
257 1HG PRO 39 2HG PRO 39 2.593 11.606 -2.198
258 2HG PRO 39 1HG PRO 39 1.174 12.618 -2.522
259 1HD PRO 39 2HD PRO 39 2.224 12.168 -0.015
260 2HD PRO 39 1HD PRO 39 0.539 12.629 -0.326
261 H ILE 40 H ILE 40 1.183 7.411 -0.010
262 HA ILE 40 HA ILE 40 3.905 7.109 0.051
263 HB ILE 40 HB ILE 40 3.539 4.702 0.177
264 1HG1 ILE 40 2HG1 ILE 40 1.585 5.078 -1.648
265 2HG1 ILE 40 1HG1 ILE 40 1.720 3.632 -0.662
266 1HG2 ILE 40 1HG2 ILE 40 3.076 6.081 2.143
267 2HG2 ILE 40 2HG2 ILE 40 2.028 4.664 2.084
268 3HG2 ILE 40 3HG2 ILE 40 1.397 6.246 1.629
269 1HD1 ILE 40 1HD1 ILE 40 0.141 4.654 0.951
270 2HD1 ILE 40 2HD1 ILE 40 -0.547 4.378 -0.649
271 3HD1 ILE 40 3HD1 ILE 40 -0.058 6.003 -0.168
272 H GLU 41 H GLU 41 5.385 5.869 -1.238
273 HA GLU 41 HA GLU 41 4.542 5.447 -4.024
274 1HB GLU 41 2HB GLU 41 6.725 7.219 -3.044
275 2HB GLU 41 1HB GLU 41 7.001 6.316 -4.528
276 1HG GLU 41 2HG GLU 41 5.060 7.304 -5.546
277 2HG GLU 41 1HG GLU 41 4.643 8.116 -4.038
278 H LEU 42 H LEU 42 4.583 3.259 -3.920
279 HA LEU 42 HA LEU 42 5.970 1.466 -2.599
280 1HB LEU 42 2HB LEU 42 4.911 1.495 -5.255
281 2HB LEU 42 1HB LEU 42 6.355 0.517 -5.194
282 HG LEU 42 HG LEU 42 4.070 -0.618 -4.778
283 1HD1 LEU 42 1HD1 LEU 42 5.703 -1.436 -2.536
284 2HD1 LEU 42 2HD1 LEU 42 6.658 -1.191 -3.997
285 3HD1 LEU 42 3HD1 LEU 42 5.292 -2.307 -4.014
286 1HD2 LEU 42 1HD2 LEU 42 3.912 1.308 -2.805
287 2HD2 LEU 42 2HD2 LEU 42 4.340 -0.160 -1.927
288 3HD2 LEU 42 3HD2 LEU 42 2.902 -0.131 -2.947
289 H VAL 43 H VAL 43 7.918 0.415 -2.577
290 HA VAL 43 HA VAL 43 10.108 1.654 -4.100
291 HB VAL 43 HB VAL 43 10.619 0.863 -1.274
292 1HG1 VAL 43 1HG1 VAL 43 11.747 3.078 -2.978
293 2HG1 VAL 43 2HG1 VAL 43 12.449 1.465 -2.836
294 3HG1 VAL 43 3HG1 VAL 43 12.360 2.516 -1.422
295 1HG2 VAL 43 1HG2 VAL 43 10.049 3.039 -0.434
296 2HG2 VAL 43 2HG2 VAL 43 8.628 2.319 -1.191
297 3HG2 VAL 43 3HG2 VAL 43 9.541 3.566 -2.039
298 H HIS 44 H HIS 44 9.043 -1.046 -2.090
299 HA HIS 44 HA HIS 44 10.449 -2.887 -3.809
300 1HB HIS 44 2HB HIS 44 11.148 -3.781 -1.231
301 2HB HIS 44 1HB HIS 44 12.227 -3.202 -2.495
302 HD1 HIS 44 1HD HIS 44 12.890 -0.644 -2.385
303 HD2 HIS 44 2HD HIS 44 10.845 -2.096 0.926
304 HE1 HIS 44 1HE HIS 44 13.201 1.089 -0.591
305 HE2 HIS 44 2HE HIS 44 11.845 0.257 1.351
306 H LYS 45 H LYS 45 9.101 -4.497 -4.201
307 HA LYS 45 HA LYS 45 6.705 -4.854 -2.713
308 1HB LYS 45 2HB LYS 45 6.225 -6.671 -4.234
309 2HB LYS 45 1HB LYS 45 6.880 -5.312 -5.139
310 1HG LYS 45 2HG LYS 45 9.138 -6.715 -4.610
311 2HG LYS 45 1HG LYS 45 7.948 -8.013 -4.748
312 1HD LYS 45 2HD LYS 45 7.947 -7.822 -6.964
313 2HD LYS 45 1HD LYS 45 7.519 -6.113 -6.842
314 1HE LYS 45 2HE LYS 45 10.095 -5.902 -6.248
315 2HE LYS 45 1HE LYS 45 10.178 -7.393 -7.187
316 1HZ LYS 45 1HZ LYS 45 9.494 -4.683 -8.053
317 2HZ LYS 45 2HZ LYS 45 8.732 -5.975 -8.836
318 3HZ LYS 45 3HZ LYS 45 10.420 -5.864 -8.833
319 H GLY 46 H GLY 46 8.012 -5.104 -0.638
320 1HA GLY 46 2HA GLY 46 7.730 -7.719 0.321
321 2HA GLY 46 1HA GLY 46 9.430 -7.454 -0.056
322 H ARG 47 H ARG 47 9.629 -7.803 2.328
323 HA ARG 47 HA ARG 47 8.702 -5.600 3.970
324 1HB ARG 47 2HB ARG 47 10.588 -7.758 4.885
325 2HB ARG 47 1HB ARG 47 9.432 -6.834 5.835
326 1HG ARG 47 2HG ARG 47 7.747 -8.060 4.145
327 2HG ARG 47 1HG ARG 47 9.044 -9.256 4.205
328 1HD ARG 47 2HD ARG 47 7.998 -9.990 6.049
329 2HD ARG 47 1HD ARG 47 8.772 -8.617 6.835
330 HE ARG 47 HE ARG 47 6.732 -7.516 6.893
331 1HH1 ARG 47 1HH1 ARG 47 6.469 -10.498 5.106
332 2HH1 ARG 47 2HH1 ARG 47 4.738 -10.486 5.092
333 1HH2 ARG 47 1HH2 ARG 47 4.450 -7.492 6.874
334 2HH2 ARG 47 2HH2 ARG 47 3.591 -8.777 6.092
335 H CYS 48 H CYS 48 10.100 -4.360 2.231
336 HA CYS 48 HA CYS 48 12.014 -3.192 1.727
337 1HB CYS 48 2HB CYS 48 11.462 -2.895 4.639
338 2HB CYS 48 1HB CYS 48 12.898 -2.130 3.969
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 -8.635 10.578 -10.887
2 2H LYS 1 2HT LYS 1 -8.544 9.236 -9.821
3 3H LYS 1 3HT LYS 1 -8.331 9.010 -11.510
4 HA LYS 1 HA LYS 1 -6.229 9.480 -11.421
5 1HB LYS 1 2HB LYS 1 -7.412 11.885 -10.285
6 2HB LYS 1 1HB LYS 1 -5.806 11.577 -9.640
7 1HG LYS 1 2HG LYS 1 -5.026 11.343 -12.028
8 2HG LYS 1 1HG LYS 1 -6.601 11.977 -12.508
9 1HD LYS 1 2HD LYS 1 -6.202 14.037 -11.367
10 2HD LYS 1 1HD LYS 1 -4.744 13.396 -10.606
11 1HE LYS 1 2HE LYS 1 -3.483 13.682 -12.467
12 2HE LYS 1 1HE LYS 1 -4.823 13.329 -13.558
13 1HZ LYS 1 1HZ LYS 1 -3.805 15.828 -12.809
14 2HZ LYS 1 2HZ LYS 1 -5.389 15.722 -12.227
15 3HZ LYS 1 3HZ LYS 1 -5.077 15.490 -13.872
16 HA PRO 2 HA PRO 2 -5.100 8.997 -6.788
17 1HB PRO 2 2HB PRO 2 -6.967 9.549 -4.908
18 2HB PRO 2 1HB PRO 2 -5.911 10.790 -5.592
19 1HG PRO 2 2HG PRO 2 -8.745 10.120 -6.290
20 2HG PRO 2 1HG PRO 2 -7.994 11.711 -6.068
21 1HD PRO 2 2HD PRO 2 -8.440 10.632 -8.514
22 2HD PRO 2 1HD PRO 2 -7.068 11.707 -8.177
23 H ASP 3 H ASP 3 -6.163 7.721 -4.698
24 HA ASP 3 HA ASP 3 -7.948 5.638 -5.726
25 1HB ASP 3 2HB ASP 3 -5.351 5.031 -4.300
26 2HB ASP 3 1HB ASP 3 -6.517 3.855 -4.900
27 H ALA 4 H ALA 4 -8.169 3.958 -3.694
28 HA ALA 4 HA ALA 4 -8.186 5.076 -1.112
29 1HB ALA 4 1HB ALA 4 -10.105 6.176 -1.022
30 2HB ALA 4 2HB ALA 4 -10.978 4.754 -1.594
31 3HB ALA 4 3HB ALA 4 -10.315 5.906 -2.752
32 HA PRO 5 HA PRO 5 -10.822 0.917 -1.209
33 1HB PRO 5 2HB PRO 5 -10.250 0.186 -4.038
34 2HB PRO 5 1HB PRO 5 -11.716 -0.070 -3.085
35 1HG PRO 5 2HG PRO 5 -11.619 1.829 -4.950
36 2HG PRO 5 1HG PRO 5 -12.470 2.097 -3.417
37 1HD PRO 5 2HD PRO 5 -9.808 3.112 -4.314
38 2HD PRO 5 1HD PRO 5 -11.048 3.911 -3.327
39 H CYS 6 H CYS 6 -9.976 -1.436 -1.595
40 HA CYS 6 HA CYS 6 -7.260 -1.785 -2.328
41 1HB CYS 6 2HB CYS 6 -6.341 -2.242 -0.077
42 2HB CYS 6 1HB CYS 6 -6.813 -0.557 -0.282
43 H ILE 7 H ILE 7 -8.587 -3.437 -3.430
44 HA ILE 7 HA ILE 7 -8.799 -5.827 -1.735
45 HB ILE 7 HB ILE 7 -10.763 -5.026 -3.874
46 1HG1 ILE 7 2HG1 ILE 7 -12.376 -5.200 -1.917
47 2HG1 ILE 7 1HG1 ILE 7 -10.964 -5.263 -0.867
48 1HG2 ILE 7 1HG2 ILE 7 -11.527 -7.310 -2.314
49 2HG2 ILE 7 2HG2 ILE 7 -9.949 -7.585 -3.052
50 3HG2 ILE 7 3HG2 ILE 7 -11.333 -7.168 -4.062
51 1HD1 ILE 7 1HD1 ILE 7 -12.297 -2.998 -1.773
52 2HD1 ILE 7 2HD1 ILE 7 -10.783 -3.037 -2.677
53 3HD1 ILE 7 3HD1 ILE 7 -10.759 -3.061 -0.914
54 H CYS 8 H CYS 8 -6.512 -5.623 -2.942
55 HA CYS 8 HA CYS 8 -6.568 -6.682 -5.631
56 1HB CYS 8 2HB CYS 8 -4.373 -5.992 -3.686
57 2HB CYS 8 1HB CYS 8 -4.038 -6.810 -5.205
58 H THR 9 H THR 9 -5.902 -7.776 -2.374
59 HA THR 9 HA THR 9 -6.563 -10.459 -2.945
60 HB THR 9 HB THR 9 -4.456 -10.666 -3.984
61 HG1 THR 9 1HG THR 9 -4.849 -12.331 -2.510
62 1HG2 THR 9 1HG2 THR 9 -2.857 -9.189 -3.600
63 2HG2 THR 9 2HG2 THR 9 -2.488 -10.092 -2.130
64 3HG2 THR 9 3HG2 THR 9 -3.584 -8.711 -2.065
65 H MET 10 H MET 10 -6.969 -11.584 -1.117
66 HA MET 10 HA MET 10 -6.558 -10.166 1.410
67 1HB MET 10 2HB MET 10 -8.552 -12.059 0.371
68 2HB MET 10 1HB MET 10 -8.015 -12.430 2.002
69 1HG MET 10 2HG MET 10 -10.019 -11.025 1.965
70 2HG MET 10 1HG MET 10 -8.658 -10.239 2.764
71 1HE MET 10 1HE MET 10 -11.406 -10.099 0.678
72 2HE MET 10 2HE MET 10 -11.231 -8.793 -0.495
73 3HE MET 10 3HE MET 10 -11.415 -8.419 1.219
74 H GLN 11 H GLN 11 -4.477 -11.578 -0.155
75 HA GLN 11 HA GLN 11 -3.869 -13.909 1.486
76 1HB GLN 11 2HB GLN 11 -2.855 -12.783 -1.072
77 2HB GLN 11 1HB GLN 11 -1.768 -13.796 -0.134
78 1HG GLN 11 2HG GLN 11 -3.344 -15.623 -0.204
79 2HG GLN 11 1HG GLN 11 -4.522 -14.609 -1.036
80 1HE2 GLN 11 1HE2 GLN 11 -3.150 -17.142 -1.781
81 2HE2 GLN 11 2HE2 GLN 11 -2.447 -16.830 -3.328
82 H TYR 12 H TYR 12 -1.195 -12.071 0.287
83 HA TYR 12 HA TYR 12 -0.642 -10.438 2.478
84 1HB TYR 12 2HB TYR 12 -0.452 -13.057 3.249
85 2HB TYR 12 1HB TYR 12 1.208 -12.706 2.782
86 HD1 TYR 12 1HD TYR 12 -1.441 -12.044 5.194
87 HD2 TYR 12 2HD TYR 12 2.506 -11.001 3.993
88 HE1 TYR 12 1HE TYR 12 -1.069 -10.964 7.371
89 HE2 TYR 12 2HE TYR 12 2.888 -9.918 6.168
90 HH TYR 12 HH TYR 12 0.303 -9.465 8.473
91 H ASP 13 H ASP 13 -0.097 -9.312 0.450
92 HA ASP 13 HA ASP 13 2.585 -10.037 -0.536
93 1HB ASP 13 2HB ASP 13 0.271 -9.557 -2.000
94 2HB ASP 13 1HB ASP 13 1.147 -8.034 -2.105
95 HA PRO 14 HA PRO 14 2.726 -6.249 2.237
96 1HB PRO 14 2HB PRO 14 5.176 -7.025 3.268
97 2HB PRO 14 1HB PRO 14 3.605 -7.310 4.023
98 1HG PRO 14 2HG PRO 14 5.273 -9.148 2.361
99 2HG PRO 14 1HG PRO 14 4.300 -9.507 3.799
100 1HD PRO 14 2HD PRO 14 3.440 -10.131 1.343
101 2HD PRO 14 1HD PRO 14 2.315 -9.556 2.593
102 H VAL 15 H VAL 15 3.066 -4.829 0.564
103 HA VAL 15 HA VAL 15 5.694 -4.767 -0.720
104 HB VAL 15 HB VAL 15 4.694 -3.212 -2.284
105 1HG1 VAL 15 1HG1 VAL 15 2.491 -4.945 -2.573
106 2HG1 VAL 15 2HG1 VAL 15 3.817 -5.898 -1.905
107 3HG1 VAL 15 3HG1 VAL 15 4.041 -5.009 -3.412
108 1HG2 VAL 15 1HG2 VAL 15 2.296 -3.375 -0.483
109 2HG2 VAL 15 2HG2 VAL 15 2.224 -2.747 -2.129
110 3HG2 VAL 15 3HG2 VAL 15 3.230 -1.945 -0.922
111 H CYS 16 H CYS 16 7.131 -3.331 -0.255
112 HA CYS 16 HA CYS 16 6.699 -1.471 1.876
113 1HB CYS 16 2HB CYS 16 8.877 -2.823 0.739
114 2HB CYS 16 1HB CYS 16 9.182 -1.115 0.517
115 H GLY 17 H GLY 17 5.857 0.483 1.615
116 1HA GLY 17 2HA GLY 17 6.123 1.714 -1.033
117 2HA GLY 17 1HA GLY 17 4.801 2.016 0.077
118 H SER 18 H SER 18 6.829 3.683 -1.327
119 HA SER 18 HA SER 18 8.756 4.813 0.182
120 1HB SER 18 2HB SER 18 6.857 5.929 -1.831
121 2HB SER 18 1HB SER 18 7.841 7.063 -0.910
122 HG SER 18 HG SER 18 8.727 4.946 -2.569
123 H ASP 19 H ASP 19 8.485 4.878 2.256
124 HA ASP 19 HA ASP 19 7.587 7.017 3.642
125 1HB ASP 19 2HB ASP 19 5.309 6.709 3.026
126 2HB ASP 19 1HB ASP 19 5.391 4.971 3.299
127 H GLY 20 H GLY 20 8.148 3.639 3.404
128 1HA GLY 20 2HA GLY 20 9.665 2.488 4.795
129 2HA GLY 20 1HA GLY 20 9.319 3.641 6.080
130 H ILE 21 H ILE 21 6.690 2.339 4.244
131 HA ILE 21 HA ILE 21 6.027 0.643 6.576
132 HB ILE 21 HB ILE 21 4.244 2.369 4.884
133 1HG1 ILE 21 2HG1 ILE 21 3.683 3.455 6.857
134 2HG1 ILE 21 1HG1 ILE 21 4.102 2.072 7.859
135 1HG2 ILE 21 1HG2 ILE 21 2.329 1.299 6.114
136 2HG2 ILE 21 2HG2 ILE 21 3.451 0.023 6.591
137 3HG2 ILE 21 3HG2 ILE 21 3.096 0.295 4.885
138 1HD1 ILE 21 1HD1 ILE 21 6.382 2.555 7.761
139 2HD1 ILE 21 2HD1 ILE 21 5.597 4.117 7.977
140 3HD1 ILE 21 3HD1 ILE 21 6.184 3.639 6.384
141 H THR 22 H THR 22 5.559 -1.427 6.245
142 HA THR 22 HA THR 22 5.578 -2.436 3.504
143 HB THR 22 HB THR 22 5.426 -4.183 5.940
144 HG1 THR 22 1HG THR 22 7.706 -2.818 4.969
145 1HG2 THR 22 1HG2 THR 22 5.316 -5.227 3.730
146 2HG2 THR 22 2HG2 THR 22 6.760 -5.699 4.625
147 3HG2 THR 22 3HG2 THR 22 6.876 -4.511 3.327
148 H TYR 23 H TYR 23 3.612 -2.079 2.682
149 HA TYR 23 HA TYR 23 1.197 -2.500 4.179
150 1HB TYR 23 2HB TYR 23 1.568 -1.933 1.242
151 2HB TYR 23 1HB TYR 23 0.106 -1.681 2.193
152 HD1 TYR 23 1HD TYR 23 0.151 0.037 4.051
153 HD2 TYR 23 2HD TYR 23 3.279 -0.313 1.189
154 HE1 TYR 23 1HE TYR 23 0.961 2.277 4.665
155 HE2 TYR 23 2HE TYR 23 4.093 1.925 1.790
156 HH TYR 23 HH TYR 23 3.732 3.750 3.005
157 H GLY 24 H GLY 24 0.088 -4.298 4.362
158 1HA GLY 24 2HA GLY 24 0.765 -6.798 3.666
159 2HA GLY 24 1HA GLY 24 -0.916 -6.298 3.785
160 H ASN 25 H ASN 25 -0.643 -4.431 1.583
161 HA ASN 25 HA ASN 25 0.127 -5.878 -0.745
162 1HB ASN 25 2HB ASN 25 -2.824 -5.691 -0.113
163 2HB ASN 25 1HB ASN 25 -2.196 -6.041 -1.719
164 1HD2 ASN 25 1HD2 ASN 25 -3.677 -7.496 0.597
165 2HD2 ASN 25 2HD2 ASN 25 -2.903 -9.036 0.622
166 H ALA 26 H ALA 26 0.054 -4.621 -2.629
167 HA ALA 26 HA ALA 26 0.403 -1.902 -2.406
168 1HB ALA 26 1HB ALA 26 -0.285 -1.911 -4.919
169 2HB ALA 26 2HB ALA 26 -0.339 -3.661 -4.710
170 3HB ALA 26 3HB ALA 26 1.161 -2.783 -4.408
171 H CYS 27 H CYS 27 -2.497 -3.726 -2.546
172 HA CYS 27 HA CYS 27 -4.251 -1.541 -3.166
173 1HB CYS 27 2HB CYS 27 -4.519 -4.416 -2.683
174 2HB CYS 27 1HB CYS 27 -5.827 -3.465 -1.991
175 H MET 28 H MET 28 -3.497 -3.492 -0.299
176 HA MET 28 HA MET 28 -4.968 -2.191 1.630
177 1HB MET 28 2HB MET 28 -2.099 -3.146 1.748
178 2HB MET 28 1HB MET 28 -3.052 -2.720 3.155
179 1HG MET 28 2HG MET 28 -4.620 -4.546 1.775
180 2HG MET 28 1HG MET 28 -2.978 -5.179 1.670
181 1HE MET 28 1HE MET 28 -4.359 -7.061 2.633
182 2HE MET 28 2HE MET 28 -5.628 -6.624 3.778
183 3HE MET 28 3HE MET 28 -4.175 -7.450 4.344
184 H LEU 29 H LEU 29 -2.010 -1.375 0.023
185 HA LEU 29 HA LEU 29 -1.261 0.981 1.286
186 1HB LEU 29 2HB LEU 29 -0.575 -0.509 -1.007
187 2HB LEU 29 1HB LEU 29 -0.882 1.114 -1.561
188 HG LEU 29 HG LEU 29 1.292 0.079 0.163
189 1HD1 LEU 29 1HD1 LEU 29 2.649 1.320 -1.239
190 2HD1 LEU 29 2HD1 LEU 29 1.370 2.469 -1.628
191 3HD1 LEU 29 3HD1 LEU 29 1.339 0.847 -2.321
192 1HD2 LEU 29 1HD2 LEU 29 1.682 2.487 0.912
193 2HD2 LEU 29 2HD2 LEU 29 0.412 1.595 1.733
194 3HD2 LEU 29 3HD2 LEU 29 -0.003 2.765 0.497
195 H LEU 30 H LEU 30 -3.173 0.469 -1.629
196 HA LEU 30 HA LEU 30 -3.891 3.058 -2.189
197 1HB LEU 30 2HB LEU 30 -5.348 0.444 -2.488
198 2HB LEU 30 1HB LEU 30 -6.126 1.944 -2.941
199 HG LEU 30 HG LEU 30 -3.855 0.519 -4.237
200 1HD1 LEU 30 1HD1 LEU 30 -6.533 1.415 -4.898
201 2HD1 LEU 30 2HD1 LEU 30 -5.521 0.198 -5.676
202 3HD1 LEU 30 3HD1 LEU 30 -5.344 1.899 -6.107
203 1HD2 LEU 30 1HD2 LEU 30 -4.285 3.499 -4.378
204 2HD2 LEU 30 2HD2 LEU 30 -3.246 2.570 -5.459
205 3HD2 LEU 30 3HD2 LEU 30 -2.866 2.668 -3.740
206 H CYS 31 H CYS 31 -5.069 0.858 0.268
207 HA CYS 31 HA CYS 31 -7.193 2.596 1.132
208 1HB CYS 31 2HB CYS 31 -6.066 -0.002 1.949
209 2HB CYS 31 1HB CYS 31 -6.657 0.974 3.289
210 H ALA 32 H ALA 32 -3.831 2.063 1.878
211 HA ALA 32 HA ALA 32 -3.642 3.528 4.271
212 1HB ALA 32 1HB ALA 32 -1.363 3.275 4.093
213 2HB ALA 32 2HB ALA 32 -1.375 3.447 2.338
214 3HB ALA 32 3HB ALA 32 -1.928 1.946 3.082
215 H SER 33 H SER 33 -2.848 4.458 0.924
216 HA SER 33 HA SER 33 -2.229 7.116 1.379
217 1HB SER 33 2HB SER 33 -3.838 6.463 -1.052
218 2HB SER 33 1HB SER 33 -2.361 7.414 -0.905
219 HG SER 33 HG SER 33 -2.665 4.781 -1.453
220 H ALA 34 H ALA 34 -5.360 5.560 1.115
221 HA ALA 34 HA ALA 34 -6.763 8.107 1.245
222 1HB ALA 34 1HB ALA 34 -7.958 6.803 -0.159
223 2HB ALA 34 2HB ALA 34 -8.754 6.349 1.348
224 3HB ALA 34 3HB ALA 34 -7.507 5.308 0.663
225 H ARG 35 H ARG 35 -5.398 6.146 3.566
226 HA ARG 35 HA ARG 35 -7.460 6.947 5.517
227 1HB ARG 35 2HB ARG 35 -7.143 4.980 6.754
228 2HB ARG 35 1HB ARG 35 -7.177 4.452 5.078
229 1HG ARG 35 2HG ARG 35 -4.568 4.742 5.295
230 2HG ARG 35 1HG ARG 35 -4.925 4.509 7.007
231 1HD ARG 35 2HD ARG 35 -5.200 2.620 4.729
232 2HD ARG 35 1HD ARG 35 -4.620 2.334 6.368
233 HE ARG 35 HE ARG 35 -7.344 2.177 5.429
234 1HH1 ARG 35 1HH1 ARG 35 -5.256 2.518 8.196
235 2HH1 ARG 35 2HH1 ARG 35 -6.432 1.921 9.318
236 1HH2 ARG 35 1HH2 ARG 35 -8.898 1.387 6.900
237 2HH2 ARG 35 2HH2 ARG 35 -8.502 1.281 8.583
238 H SER 36 H SER 36 -4.146 7.133 4.662
239 HA SER 36 HA SER 36 -3.304 7.902 7.329
240 1HB SER 36 2HB SER 36 -1.812 6.514 5.987
241 2HB SER 36 1HB SER 36 -1.760 7.745 4.730
242 HG SER 36 HG SER 36 -0.675 7.826 7.334
243 H ASP 37 H ASP 37 -1.914 9.563 4.618
244 HA ASP 37 HA ASP 37 -3.482 11.853 4.519
245 1HB ASP 37 2HB ASP 37 -2.099 13.416 5.880
246 2HB ASP 37 1HB ASP 37 -2.959 12.218 6.843
247 H THR 38 H THR 38 -0.319 10.391 4.298
248 HA THR 38 HA THR 38 0.423 12.316 2.201
249 HB THR 38 HB THR 38 2.080 12.253 3.926
250 HG1 THR 38 1HG THR 38 3.655 12.090 2.558
251 1HG2 THR 38 1HG2 THR 38 1.927 10.364 5.182
252 2HG2 THR 38 2HG2 THR 38 3.323 9.956 4.186
253 3HG2 THR 38 3HG2 THR 38 1.733 9.311 3.782
254 HA PRO 39 HA PRO 39 -0.222 9.109 -0.769
255 1HB PRO 39 2HB PRO 39 1.004 10.262 -2.880
256 2HB PRO 39 1HB PRO 39 -0.545 10.838 -2.254
257 1HG PRO 39 2HG PRO 39 2.207 11.916 -1.779
258 2HG PRO 39 1HG PRO 39 0.706 12.795 -2.119
259 1HD PRO 39 2HD PRO 39 1.726 12.522 0.386
260 2HD PRO 39 1HD PRO 39 -0.013 12.665 0.060
261 H ILE 40 H ILE 40 1.124 7.503 0.237
262 HA ILE 40 HA ILE 40 3.889 7.328 0.150
263 HB ILE 40 HB ILE 40 3.600 4.903 0.339
264 1HG1 ILE 40 2HG1 ILE 40 1.503 5.214 -1.337
265 2HG1 ILE 40 1HG1 ILE 40 1.744 3.783 -0.348
266 1HG2 ILE 40 1HG2 ILE 40 1.733 5.043 2.216
267 2HG2 ILE 40 2HG2 ILE 40 1.959 6.772 1.959
268 3HG2 ILE 40 3HG2 ILE 40 3.327 5.764 2.431
269 1HD1 ILE 40 1HD1 ILE 40 -0.094 6.099 0.159
270 2HD1 ILE 40 2HD1 ILE 40 0.293 4.895 1.389
271 3HD1 ILE 40 3HD1 ILE 40 -0.510 4.408 -0.102
272 H GLU 41 H GLU 41 5.117 5.660 -1.203
273 HA GLU 41 HA GLU 41 4.095 5.387 -3.926
274 1HB GLU 41 2HB GLU 41 6.373 7.142 -3.161
275 2HB GLU 41 1HB GLU 41 6.525 6.205 -4.642
276 1HG GLU 41 2HG GLU 41 4.598 7.227 -5.582
277 2HG GLU 41 1HG GLU 41 4.183 7.992 -4.048
278 H LEU 42 H LEU 42 4.134 3.192 -3.859
279 HA LEU 42 HA LEU 42 5.608 1.367 -2.672
280 1HB LEU 42 2HB LEU 42 4.277 1.425 -5.163
281 2HB LEU 42 1HB LEU 42 5.784 0.574 -5.385
282 HG LEU 42 HG LEU 42 3.927 -0.947 -4.859
283 1HD1 LEU 42 1HD1 LEU 42 5.387 -2.296 -3.879
284 2HD1 LEU 42 2HD1 LEU 42 5.380 -1.331 -2.403
285 3HD1 LEU 42 3HD1 LEU 42 6.469 -0.912 -3.726
286 1HD2 LEU 42 1HD2 LEU 42 3.694 -0.432 -2.065
287 2HD2 LEU 42 2HD2 LEU 42 2.433 -0.465 -3.300
288 3HD2 LEU 42 3HD2 LEU 42 3.301 1.034 -2.963
289 H VAL 43 H VAL 43 7.565 0.312 -2.835
290 HA VAL 43 HA VAL 43 9.602 1.558 -4.543
291 HB VAL 43 HB VAL 43 10.537 0.839 -1.854
292 1HG1 VAL 43 1HG1 VAL 43 11.715 1.991 -3.917
293 2HG1 VAL 43 2HG1 VAL 43 12.147 2.414 -2.262
294 3HG1 VAL 43 3HG1 VAL 43 11.052 3.448 -3.178
295 1HG2 VAL 43 1HG2 VAL 43 8.557 3.009 -2.296
296 2HG2 VAL 43 2HG2 VAL 43 9.851 3.236 -1.120
297 3HG2 VAL 43 3HG2 VAL 43 8.723 1.893 -0.941
298 H HIS 44 H HIS 44 8.734 -1.119 -2.411
299 HA HIS 44 HA HIS 44 10.015 -2.970 -4.205
300 1HB HIS 44 2HB HIS 44 10.963 -3.809 -1.682
301 2HB HIS 44 1HB HIS 44 11.911 -3.262 -3.061
302 HD1 HIS 44 1HD HIS 44 12.621 -0.721 -3.063
303 HD2 HIS 44 2HD HIS 44 10.829 -2.058 0.439
304 HE1 HIS 44 1HE HIS 44 13.064 1.071 -1.354
305 HE2 HIS 44 2HE HIS 44 11.875 0.298 0.714
306 H LYS 45 H LYS 45 8.676 -4.606 -4.443
307 HA LYS 45 HA LYS 45 6.409 -4.962 -2.775
308 1HB LYS 45 2HB LYS 45 7.523 -6.811 -4.890
309 2HB LYS 45 1HB LYS 45 5.907 -6.886 -4.203
310 1HG LYS 45 2HG LYS 45 6.146 -4.277 -5.119
311 2HG LYS 45 1HG LYS 45 6.924 -5.262 -6.361
312 1HD LYS 45 2HD LYS 45 4.838 -6.753 -6.197
313 2HD LYS 45 1HD LYS 45 4.101 -5.392 -5.348
314 1HE LYS 45 2HE LYS 45 3.505 -4.742 -7.419
315 2HE LYS 45 1HE LYS 45 5.155 -4.129 -7.491
316 1HZ LYS 45 1HZ LYS 45 5.365 -6.754 -8.223
317 2HZ LYS 45 2HZ LYS 45 5.396 -5.421 -9.264
318 3HZ LYS 45 3HZ LYS 45 3.943 -6.239 -8.981
319 H GLY 46 H GLY 46 7.877 -5.143 -0.790
320 1HA GLY 46 2HA GLY 46 7.681 -7.733 0.254
321 2HA GLY 46 1HA GLY 46 9.347 -7.471 -0.252
322 H ARG 47 H ARG 47 9.821 -7.718 2.061
323 HA ARG 47 HA ARG 47 8.973 -5.499 3.736
324 1HB ARG 47 2HB ARG 47 10.806 -7.807 4.412
325 2HB ARG 47 1HB ARG 47 10.087 -6.676 5.552
326 1HG ARG 47 2HG ARG 47 7.943 -7.562 5.256
327 2HG ARG 47 1HG ARG 47 8.401 -8.400 3.773
328 1HD ARG 47 2HD ARG 47 8.697 -9.217 6.573
329 2HD ARG 47 1HD ARG 47 8.554 -10.194 5.116
330 HE ARG 47 HE ARG 47 10.874 -10.134 4.860
331 1HH1 ARG 47 1HH1 ARG 47 9.856 -8.282 7.641
332 2HH1 ARG 47 2HH1 ARG 47 11.440 -8.225 8.336
333 1HH2 ARG 47 1HH2 ARG 47 12.953 -10.058 5.777
334 2HH2 ARG 47 2HH2 ARG 47 13.197 -9.232 7.279
335 H CYS 48 H CYS 48 10.230 -4.323 1.842
336 HA CYS 48 HA CYS 48 12.072 -3.138 1.164
337 1HB CYS 48 2HB CYS 48 11.758 -2.791 4.101
338 2HB CYS 48 1HB CYS 48 13.144 -2.043 3.317
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 -12.391 5.814 -10.451
2 2H LYS 1 2HT LYS 1 -10.988 5.745 -11.438
3 3H LYS 1 3HT LYS 1 -11.133 6.956 -10.230
4 HA LYS 1 HA LYS 1 -11.420 4.300 -9.240
5 1HB LYS 1 2HB LYS 1 -9.365 4.857 -11.155
6 2HB LYS 1 1HB LYS 1 -8.621 4.656 -9.576
7 1HG LYS 1 2HG LYS 1 -10.348 2.558 -9.625
8 2HG LYS 1 1HG LYS 1 -9.892 2.685 -11.325
9 1HD LYS 1 2HD LYS 1 -7.471 2.853 -10.386
10 2HD LYS 1 1HD LYS 1 -8.176 2.132 -8.937
11 1HE LYS 1 2HE LYS 1 -7.629 0.212 -10.008
12 2HE LYS 1 1HE LYS 1 -9.198 0.478 -10.768
13 1HZ LYS 1 1HZ LYS 1 -6.508 1.000 -11.878
14 2HZ LYS 1 2HZ LYS 1 -7.885 1.737 -12.528
15 3HZ LYS 1 3HZ LYS 1 -7.751 0.051 -12.525
16 HA PRO 2 HA PRO 2 -10.308 7.939 -6.463
17 1HB PRO 2 2HB PRO 2 -12.507 7.767 -4.875
18 2HB PRO 2 1HB PRO 2 -12.461 8.736 -6.354
19 1HG PRO 2 2HG PRO 2 -13.582 5.993 -5.919
20 2HG PRO 2 1HG PRO 2 -14.276 7.355 -6.820
21 1HD PRO 2 2HD PRO 2 -13.018 5.302 -8.046
22 2HD PRO 2 1HD PRO 2 -12.957 6.961 -8.674
23 H ASP 3 H ASP 3 -10.819 7.724 -3.839
24 HA ASP 3 HA ASP 3 -8.991 6.117 -2.735
25 1HB ASP 3 2HB ASP 3 -10.749 5.913 -0.748
26 2HB ASP 3 1HB ASP 3 -9.971 7.443 -1.141
27 H ALA 4 H ALA 4 -8.804 4.029 -1.942
28 HA ALA 4 HA ALA 4 -10.951 2.154 -2.653
29 1HB ALA 4 1HB ALA 4 -8.920 0.586 -3.228
30 2HB ALA 4 2HB ALA 4 -8.109 2.123 -3.530
31 3HB ALA 4 3HB ALA 4 -9.572 1.708 -4.423
32 HA PRO 5 HA PRO 5 -10.545 1.060 1.666
33 1HB PRO 5 2HB PRO 5 -11.653 -1.474 0.529
34 2HB PRO 5 1HB PRO 5 -12.163 -0.568 1.958
35 1HG PRO 5 2HG PRO 5 -13.558 -0.426 -0.307
36 2HG PRO 5 1HG PRO 5 -13.322 1.007 0.711
37 1HD PRO 5 2HD PRO 5 -12.057 0.299 -1.886
38 2HD PRO 5 1HD PRO 5 -12.447 1.895 -1.215
39 H CYS 6 H CYS 6 -9.842 -1.166 2.764
40 HA CYS 6 HA CYS 6 -7.355 -1.950 1.417
41 1HB CYS 6 2HB CYS 6 -7.173 -2.777 4.079
42 2HB CYS 6 1HB CYS 6 -6.360 -1.401 3.343
43 H ILE 7 H ILE 7 -9.428 -3.255 0.465
44 HA ILE 7 HA ILE 7 -8.974 -5.955 1.451
45 HB ILE 7 HB ILE 7 -11.687 -4.731 1.080
46 1HG1 ILE 7 2HG1 ILE 7 -11.830 -5.787 3.495
47 2HG1 ILE 7 1HG1 ILE 7 -10.079 -5.628 3.430
48 1HG2 ILE 7 1HG2 ILE 7 -11.906 -7.347 2.091
49 2HG2 ILE 7 2HG2 ILE 7 -10.788 -7.438 0.731
50 3HG2 ILE 7 3HG2 ILE 7 -12.403 -6.767 0.501
51 1HD1 ILE 7 1HD1 ILE 7 -11.151 -3.181 2.553
52 2HD1 ILE 7 2HD1 ILE 7 -10.283 -3.521 4.050
53 3HD1 ILE 7 3HD1 ILE 7 -12.042 -3.651 4.002
54 H CYS 8 H CYS 8 -7.816 -6.308 -0.442
55 HA CYS 8 HA CYS 8 -9.358 -6.231 -2.948
56 1HB CYS 8 2HB CYS 8 -6.632 -5.525 -2.265
57 2HB CYS 8 1HB CYS 8 -6.684 -6.698 -3.570
58 H THR 9 H THR 9 -7.151 -8.132 -0.998
59 HA THR 9 HA THR 9 -8.372 -10.601 -1.645
60 HB THR 9 HB THR 9 -7.259 -10.413 -3.750
61 HG1 THR 9 1HG THR 9 -6.717 -12.404 -3.499
62 1HG2 THR 9 1HG2 THR 9 -4.524 -10.263 -2.712
63 2HG2 THR 9 2HG2 THR 9 -5.467 -8.778 -2.617
64 3HG2 THR 9 3HG2 THR 9 -5.229 -9.573 -4.172
65 H MET 10 H MET 10 -6.371 -12.355 -1.165
66 HA MET 10 HA MET 10 -5.284 -11.484 1.423
67 1HB MET 10 2HB MET 10 -6.941 -13.763 0.768
68 2HB MET 10 1HB MET 10 -5.396 -14.298 1.417
69 1HG MET 10 2HG MET 10 -5.870 -13.585 3.482
70 2HG MET 10 1HG MET 10 -6.643 -12.109 2.906
71 1HE MET 10 1HE MET 10 -8.688 -11.653 3.731
72 2HE MET 10 2HE MET 10 -10.143 -12.649 3.678
73 3HE MET 10 3HE MET 10 -9.411 -12.075 2.178
74 H GLN 11 H GLN 11 -4.297 -11.588 -1.449
75 HA GLN 11 HA GLN 11 -2.225 -13.530 -1.559
76 1HB GLN 11 2HB GLN 11 -2.880 -11.045 -3.102
77 2HB GLN 11 1HB GLN 11 -1.325 -11.828 -3.332
78 1HG GLN 11 2HG GLN 11 -2.815 -13.965 -3.663
79 2HG GLN 11 1HG GLN 11 -4.051 -12.769 -4.051
80 1HE2 GLN 11 1HE2 GLN 11 -4.226 -12.397 -6.133
81 2HE2 GLN 11 2HE2 GLN 11 -2.945 -12.435 -7.293
82 H TYR 12 H TYR 12 -1.824 -12.752 0.852
83 HA TYR 12 HA TYR 12 -0.604 -10.662 1.839
84 1HB TYR 12 2HB TYR 12 -0.733 -12.912 2.931
85 2HB TYR 12 1HB TYR 12 0.720 -13.370 2.049
86 HD1 TYR 12 1HD TYR 12 0.222 -9.989 3.408
87 HD2 TYR 12 2HD TYR 12 2.039 -13.787 4.028
88 HE1 TYR 12 1HE TYR 12 1.603 -9.028 5.201
89 HE2 TYR 12 2HE TYR 12 3.425 -12.836 5.823
90 HH TYR 12 HH TYR 12 4.294 -10.547 6.464
91 H ASP 13 H ASP 13 0.278 -9.355 0.193
92 HA ASP 13 HA ASP 13 3.021 -10.115 -0.567
93 1HB ASP 13 2HB ASP 13 0.861 -9.564 -2.298
94 2HB ASP 13 1HB ASP 13 1.894 -8.139 -2.348
95 HA PRO 14 HA PRO 14 2.890 -6.369 2.197
96 1HB PRO 14 2HB PRO 14 5.380 -6.985 3.244
97 2HB PRO 14 1HB PRO 14 3.827 -7.404 3.974
98 1HG PRO 14 2HG PRO 14 5.643 -9.076 2.288
99 2HG PRO 14 1HG PRO 14 4.689 -9.538 3.711
100 1HD PRO 14 2HD PRO 14 3.884 -10.173 1.237
101 2HD PRO 14 1HD PRO 14 2.716 -9.699 2.488
102 H VAL 15 H VAL 15 3.140 -4.888 0.607
103 HA VAL 15 HA VAL 15 5.713 -4.644 -0.755
104 HB VAL 15 HB VAL 15 4.542 -3.014 -2.162
105 1HG1 VAL 15 1HG1 VAL 15 2.856 -5.488 -1.968
106 2HG1 VAL 15 2HG1 VAL 15 4.507 -5.513 -2.588
107 3HG1 VAL 15 3HG1 VAL 15 3.271 -4.559 -3.409
108 1HG2 VAL 15 1HG2 VAL 15 2.184 -2.590 -1.948
109 2HG2 VAL 15 2HG2 VAL 15 2.975 -2.207 -0.418
110 3HG2 VAL 15 3HG2 VAL 15 2.072 -3.713 -0.592
111 H CYS 16 H CYS 16 7.122 -3.218 -0.244
112 HA CYS 16 HA CYS 16 6.690 -1.440 1.948
113 1HB CYS 16 2HB CYS 16 8.875 -2.719 0.764
114 2HB CYS 16 1HB CYS 16 9.152 -1.004 0.568
115 H GLY 17 H GLY 17 5.798 0.472 1.779
116 1HA GLY 17 2HA GLY 17 5.942 1.826 -0.810
117 2HA GLY 17 1HA GLY 17 4.699 2.095 0.388
118 H SER 18 H SER 18 6.786 3.714 -1.094
119 HA SER 18 HA SER 18 8.726 4.741 0.518
120 1HB SER 18 2HB SER 18 7.071 5.992 -1.657
121 2HB SER 18 1HB SER 18 8.282 6.938 -0.794
122 HG SER 18 HG SER 18 8.609 5.061 -2.728
123 H ASP 19 H ASP 19 8.254 4.946 2.562
124 HA ASP 19 HA ASP 19 7.404 7.308 3.648
125 1HB ASP 19 2HB ASP 19 5.158 7.096 3.050
126 2HB ASP 19 1HB ASP 19 5.167 5.347 3.249
127 H GLY 20 H GLY 20 7.773 3.888 3.839
128 1HA GLY 20 2HA GLY 20 9.314 2.984 5.456
129 2HA GLY 20 1HA GLY 20 8.702 4.160 6.614
130 H ILE 21 H ILE 21 6.612 2.342 4.440
131 HA ILE 21 HA ILE 21 5.805 0.698 6.754
132 HB ILE 21 HB ILE 21 3.934 2.214 4.945
133 1HG1 ILE 21 2HG1 ILE 21 5.092 3.444 6.838
134 2HG1 ILE 21 1HG1 ILE 21 3.332 3.473 6.871
135 1HG2 ILE 21 1HG2 ILE 21 3.549 -0.201 6.491
136 2HG2 ILE 21 2HG2 ILE 21 2.474 0.578 5.330
137 3HG2 ILE 21 3HG2 ILE 21 2.471 1.092 7.017
138 1HD1 ILE 21 1HD1 ILE 21 4.815 2.948 9.014
139 2HD1 ILE 21 2HD1 ILE 21 4.659 1.309 8.381
140 3HD1 ILE 21 3HD1 ILE 21 3.216 2.247 8.765
141 H THR 22 H THR 22 5.241 -1.354 6.366
142 HA THR 22 HA THR 22 5.468 -2.305 3.599
143 HB THR 22 HB THR 22 5.372 -4.106 6.001
144 HG1 THR 22 1HG THR 22 7.467 -2.436 5.194
145 1HG2 THR 22 1HG2 THR 22 6.836 -4.318 3.384
146 2HG2 THR 22 2HG2 THR 22 5.331 -5.141 3.793
147 3HG2 THR 22 3HG2 THR 22 6.813 -5.523 4.670
148 H TYR 23 H TYR 23 3.505 -2.079 2.728
149 HA TYR 23 HA TYR 23 1.090 -2.644 4.179
150 1HB TYR 23 2HB TYR 23 1.469 -2.051 1.246
151 2HB TYR 23 1HB TYR 23 -0.012 -1.867 2.185
152 HD1 TYR 23 1HD TYR 23 -0.238 -0.010 3.784
153 HD2 TYR 23 2HD TYR 23 3.273 -0.473 1.427
154 HE1 TYR 23 1HE TYR 23 0.460 2.274 4.373
155 HE2 TYR 23 2HE TYR 23 3.976 1.806 2.012
156 HH TYR 23 HH TYR 23 3.528 3.623 3.207
157 H GLY 24 H GLY 24 0.003 -4.489 4.250
158 1HA GLY 24 2HA GLY 24 0.943 -6.936 3.488
159 2HA GLY 24 1HA GLY 24 -0.764 -6.587 3.709
160 H ASN 25 H ASN 25 -0.488 -4.564 1.478
161 HA ASN 25 HA ASN 25 0.176 -5.940 -0.882
162 1HB ASN 25 2HB ASN 25 -2.557 -5.774 -1.406
163 2HB ASN 25 1HB ASN 25 -1.625 -7.247 -1.165
164 1HD2 ASN 25 1HD2 ASN 25 -3.505 -8.244 -0.317
165 2HD2 ASN 25 2HD2 ASN 25 -4.032 -7.914 1.292
166 H ALA 26 H ALA 26 -0.002 -4.665 -2.701
167 HA ALA 26 HA ALA 26 0.232 -1.948 -2.470
168 1HB ALA 26 1HB ALA 26 0.155 -1.820 -4.804
169 2HB ALA 26 2HB ALA 26 -0.963 -3.178 -4.933
170 3HB ALA 26 3HB ALA 26 0.719 -3.460 -4.486
171 H CYS 27 H CYS 27 -2.617 -3.861 -2.501
172 HA CYS 27 HA CYS 27 -4.421 -1.703 -3.082
173 1HB CYS 27 2HB CYS 27 -4.666 -4.591 -2.507
174 2HB CYS 27 1HB CYS 27 -6.029 -3.591 -2.014
175 H MET 28 H MET 28 -3.551 -3.613 -0.193
176 HA MET 28 HA MET 28 -5.092 -2.272 1.697
177 1HB MET 28 2HB MET 28 -2.424 -3.596 1.721
178 2HB MET 28 1HB MET 28 -2.815 -2.572 3.084
179 1HG MET 28 2HG MET 28 -4.888 -3.857 3.452
180 2HG MET 28 1HG MET 28 -4.396 -4.957 2.168
181 1HE MET 28 1HE MET 28 -4.088 -6.345 6.000
182 2HE MET 28 2HE MET 28 -4.608 -7.049 4.468
183 3HE MET 28 3HE MET 28 -5.286 -5.513 5.007
184 H LEU 29 H LEU 29 -2.222 -1.488 -0.024
185 HA LEU 29 HA LEU 29 -1.418 0.863 1.241
186 1HB LEU 29 2HB LEU 29 -0.790 -0.654 -1.062
187 2HB LEU 29 1HB LEU 29 -1.030 0.993 -1.585
188 HG LEU 29 HG LEU 29 1.025 -0.104 0.286
189 1HD1 LEU 29 1HD1 LEU 29 2.472 1.367 -1.112
190 2HD1 LEU 29 2HD1 LEU 29 1.055 1.750 -2.090
191 3HD1 LEU 29 3HD1 LEU 29 1.657 0.094 -2.021
192 1HD2 LEU 29 1HD2 LEU 29 1.584 2.311 0.804
193 2HD2 LEU 29 2HD2 LEU 29 0.146 1.676 1.590
194 3HD2 LEU 29 3HD2 LEU 29 -0.014 2.720 0.187
195 H LEU 30 H LEU 30 -3.446 0.273 -1.580
196 HA LEU 30 HA LEU 30 -4.181 2.857 -2.175
197 1HB LEU 30 2HB LEU 30 -5.566 0.221 -2.409
198 2HB LEU 30 1HB LEU 30 -6.496 1.675 -2.691
199 HG LEU 30 HG LEU 30 -4.020 0.838 -4.193
200 1HD1 LEU 30 1HD1 LEU 30 -6.127 1.114 -5.956
201 2HD1 LEU 30 2HD1 LEU 30 -6.852 0.322 -4.556
202 3HD1 LEU 30 3HD1 LEU 30 -5.457 -0.403 -5.355
203 1HD2 LEU 30 1HD2 LEU 30 -5.777 3.273 -4.441
204 2HD2 LEU 30 2HD2 LEU 30 -4.629 2.759 -5.676
205 3HD2 LEU 30 3HD2 LEU 30 -4.053 3.221 -4.075
206 H CYS 31 H CYS 31 -5.145 0.760 0.458
207 HA CYS 31 HA CYS 31 -7.283 2.464 1.363
208 1HB CYS 31 2HB CYS 31 -7.022 -0.009 1.928
209 2HB CYS 31 1HB CYS 31 -5.754 0.477 3.050
210 H ALA 32 H ALA 32 -3.862 2.126 1.928
211 HA ALA 32 HA ALA 32 -3.661 3.897 4.131
212 1HB ALA 32 1HB ALA 32 -1.868 2.376 3.767
213 2HB ALA 32 2HB ALA 32 -1.235 3.994 3.463
214 3HB ALA 32 3HB ALA 32 -1.647 2.941 2.111
215 H SER 33 H SER 33 -2.771 4.322 0.713
216 HA SER 33 HA SER 33 -2.319 7.063 0.778
217 1HB SER 33 2HB SER 33 -2.538 5.045 -1.211
218 2HB SER 33 1HB SER 33 -3.577 6.379 -1.711
219 HG SER 33 HG SER 33 -0.859 6.641 -0.930
220 H ALA 34 H ALA 34 -5.255 5.324 1.063
221 HA ALA 34 HA ALA 34 -7.001 7.391 0.134
222 1HB ALA 34 1HB ALA 34 -8.500 5.689 1.734
223 2HB ALA 34 2HB ALA 34 -7.244 4.668 1.037
224 3HB ALA 34 3HB ALA 34 -8.303 5.605 -0.016
225 H ARG 35 H ARG 35 -5.960 6.306 3.366
226 HA ARG 35 HA ARG 35 -6.953 8.860 4.410
227 1HB ARG 35 2HB ARG 35 -8.221 7.938 6.129
228 2HB ARG 35 1HB ARG 35 -8.608 6.927 4.746
229 1HG ARG 35 2HG ARG 35 -6.553 6.186 6.814
230 2HG ARG 35 1HG ARG 35 -8.247 5.710 6.898
231 1HD ARG 35 2HD ARG 35 -6.163 4.914 4.901
232 2HD ARG 35 1HD ARG 35 -7.176 3.883 5.912
233 HE ARG 35 HE ARG 35 -7.857 5.016 3.359
234 1HH1 ARG 35 1HH1 ARG 35 -9.095 3.752 6.359
235 2HH1 ARG 35 2HH1 ARG 35 -10.634 3.317 5.691
236 1HH2 ARG 35 1HH2 ARG 35 -9.881 4.450 2.470
237 2HH2 ARG 35 2HH2 ARG 35 -11.081 3.714 3.481
238 H SER 36 H SER 36 -4.251 7.832 3.885
239 HA SER 36 HA SER 36 -3.101 7.300 6.473
240 1HB SER 36 2HB SER 36 -2.108 6.261 4.517
241 2HB SER 36 1HB SER 36 -1.823 7.836 3.782
242 HG SER 36 HG SER 36 0.028 6.889 4.863
243 H ASP 37 H ASP 37 -1.544 9.568 4.332
244 HA ASP 37 HA ASP 37 -2.328 11.985 5.464
245 1HB ASP 37 2HB ASP 37 -0.774 10.505 7.265
246 2HB ASP 37 1HB ASP 37 0.326 11.702 6.592
247 H THR 38 H THR 38 0.236 10.059 4.074
248 HA THR 38 HA THR 38 0.856 12.271 2.250
249 HB THR 38 HB THR 38 3.272 10.900 2.578
250 HG1 THR 38 1HG THR 38 2.520 10.049 4.537
251 1HG2 THR 38 1HG2 THR 38 2.271 13.572 3.420
252 2HG2 THR 38 2HG2 THR 38 3.502 13.150 2.229
253 3HG2 THR 38 3HG2 THR 38 3.860 13.027 3.952
254 HA PRO 39 HA PRO 39 -0.010 9.176 -0.805
255 1HB PRO 39 2HB PRO 39 1.553 10.364 -2.787
256 2HB PRO 39 1HB PRO 39 -0.145 10.722 -2.458
257 1HG PRO 39 2HG PRO 39 2.306 12.184 -1.577
258 2HG PRO 39 1HG PRO 39 0.734 12.829 -2.085
259 1HD PRO 39 2HD PRO 39 1.413 12.740 0.496
260 2HD PRO 39 1HD PRO 39 -0.251 12.387 -0.022
261 H ILE 40 H ILE 40 1.125 7.433 0.102
262 HA ILE 40 HA ILE 40 3.898 7.123 0.179
263 HB ILE 40 HB ILE 40 3.434 4.703 0.332
264 1HG1 ILE 40 2HG1 ILE 40 1.245 5.292 -1.228
265 2HG1 ILE 40 1HG1 ILE 40 1.525 3.766 -0.405
266 1HG2 ILE 40 1HG2 ILE 40 1.973 6.696 1.992
267 2HG2 ILE 40 2HG2 ILE 40 3.324 5.645 2.418
268 3HG2 ILE 40 3HG2 ILE 40 1.696 4.978 2.284
269 1HD1 ILE 40 1HD1 ILE 40 -0.732 4.598 -0.027
270 2HD1 ILE 40 2HD1 ILE 40 -0.073 6.076 0.677
271 3HD1 ILE 40 3HD1 ILE 40 0.182 4.526 1.479
272 H GLU 41 H GLU 41 5.302 5.884 -1.157
273 HA GLU 41 HA GLU 41 4.338 5.404 -3.893
274 1HB GLU 41 2HB GLU 41 6.491 7.242 -3.035
275 2HB GLU 41 1HB GLU 41 6.857 6.222 -4.421
276 1HG GLU 41 2HG GLU 41 4.667 7.026 -5.406
277 2HG GLU 41 1HG GLU 41 4.660 8.241 -4.129
278 H LEU 42 H LEU 42 4.368 3.225 -3.749
279 HA LEU 42 HA LEU 42 5.937 1.504 -2.442
280 1HB LEU 42 2HB LEU 42 4.370 1.366 -4.789
281 2HB LEU 42 1HB LEU 42 5.842 0.476 -5.070
282 HG LEU 42 HG LEU 42 3.686 -0.676 -4.058
283 1HD1 LEU 42 1HD1 LEU 42 6.399 -1.281 -4.250
284 2HD1 LEU 42 2HD1 LEU 42 5.068 -2.405 -3.974
285 3HD1 LEU 42 3HD1 LEU 42 5.940 -1.716 -2.604
286 1HD2 LEU 42 1HD2 LEU 42 5.089 -0.226 -1.488
287 2HD2 LEU 42 2HD2 LEU 42 3.389 -0.565 -1.809
288 3HD2 LEU 42 3HD2 LEU 42 4.030 1.057 -2.069
289 H VAL 43 H VAL 43 7.844 0.408 -2.693
290 HA VAL 43 HA VAL 43 9.738 1.481 -4.656
291 HB VAL 43 HB VAL 43 11.369 1.085 -2.520
292 1HG1 VAL 43 1HG1 VAL 43 11.856 2.975 -3.667
293 2HG1 VAL 43 2HG1 VAL 43 11.010 3.719 -2.310
294 3HG1 VAL 43 3HG1 VAL 43 10.162 3.439 -3.831
295 1HG2 VAL 43 1HG2 VAL 43 9.024 0.987 -1.263
296 2HG2 VAL 43 2HG2 VAL 43 9.266 2.734 -1.258
297 3HG2 VAL 43 3HG2 VAL 43 10.470 1.674 -0.525
298 H HIS 44 H HIS 44 8.938 -1.050 -2.326
299 HA HIS 44 HA HIS 44 10.128 -3.007 -4.080
300 1HB HIS 44 2HB HIS 44 11.005 -3.810 -1.524
301 2HB HIS 44 1HB HIS 44 11.993 -3.347 -2.905
302 HD1 HIS 44 1HD HIS 44 12.943 -0.930 -2.921
303 HD2 HIS 44 2HD HIS 44 10.811 -1.930 0.499
304 HE1 HIS 44 1HE HIS 44 13.474 0.871 -1.252
305 HE2 HIS 44 2HE HIS 44 12.053 0.331 0.754
306 H LYS 45 H LYS 45 8.739 -4.605 -4.283
307 HA LYS 45 HA LYS 45 6.433 -4.821 -2.641
308 1HB LYS 45 2HB LYS 45 5.970 -6.868 -4.003
309 2HB LYS 45 1HB LYS 45 6.254 -5.416 -4.952
310 1HG LYS 45 2HG LYS 45 7.690 -6.637 -6.126
311 2HG LYS 45 1HG LYS 45 8.766 -6.520 -4.732
312 1HD LYS 45 2HD LYS 45 8.547 -8.693 -4.274
313 2HD LYS 45 1HD LYS 45 6.788 -8.608 -4.388
314 1HE LYS 45 2HE LYS 45 6.819 -8.982 -6.715
315 2HE LYS 45 1HE LYS 45 8.551 -8.666 -6.821
316 1HZ LYS 45 1HZ LYS 45 7.597 -11.098 -6.806
317 2HZ LYS 45 2HZ LYS 45 7.665 -10.883 -5.129
318 3HZ LYS 45 3HZ LYS 45 9.070 -10.730 -6.059
319 H GLY 46 H GLY 46 7.939 -5.010 -0.646
320 1HA GLY 46 2HA GLY 46 7.583 -7.568 0.460
321 2HA GLY 46 1HA GLY 46 9.265 -7.396 -0.033
322 H ARG 47 H ARG 47 9.803 -7.573 2.238
323 HA ARG 47 HA ARG 47 8.992 -5.331 3.905
324 1HB ARG 47 2HB ARG 47 10.977 -7.374 4.809
325 2HB ARG 47 1HB ARG 47 9.732 -6.543 5.732
326 1HG ARG 47 2HG ARG 47 8.299 -8.018 3.892
327 2HG ARG 47 1HG ARG 47 9.630 -9.084 4.345
328 1HD ARG 47 2HD ARG 47 8.661 -7.861 6.711
329 2HD ARG 47 1HD ARG 47 7.267 -8.448 5.806
330 HE ARG 47 HE ARG 47 7.945 -10.607 6.203
331 1HH1 ARG 47 1HH1 ARG 47 10.498 -8.403 7.074
332 2HH1 ARG 47 2HH1 ARG 47 11.455 -9.616 7.856
333 1HH2 ARG 47 1HH2 ARG 47 9.197 -12.211 7.228
334 2HH2 ARG 47 2HH2 ARG 47 10.716 -11.782 7.941
335 H CYS 48 H CYS 48 10.206 -4.167 2.016
336 HA CYS 48 HA CYS 48 12.054 -3.043 1.260
337 1HB CYS 48 2HB CYS 48 11.799 -2.588 4.191
338 2HB CYS 48 1HB CYS 48 13.148 -1.851 3.335
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 -11.021 4.673 -7.924
2 2H LYS 1 2HT LYS 1 -10.985 6.386 -8.003
3 3H LYS 1 3HT LYS 1 -10.922 5.594 -6.482
4 HA LYS 1 HA LYS 1 -8.859 4.484 -7.674
5 1HB LYS 1 2HB LYS 1 -9.611 6.691 -9.295
6 2HB LYS 1 1HB LYS 1 -8.120 7.133 -8.476
7 1HG LYS 1 2HG LYS 1 -6.928 5.380 -9.444
8 2HG LYS 1 1HG LYS 1 -8.396 4.509 -9.893
9 1HD LYS 1 2HD LYS 1 -8.432 5.519 -11.874
10 2HD LYS 1 1HD LYS 1 -8.422 7.104 -11.099
11 1HE LYS 1 2HE LYS 1 -5.847 5.655 -11.179
12 2HE LYS 1 1HE LYS 1 -6.468 6.239 -12.723
13 1HZ LYS 1 1HZ LYS 1 -6.031 7.901 -10.299
14 2HZ LYS 1 2HZ LYS 1 -6.612 8.460 -11.784
15 3HZ LYS 1 3HZ LYS 1 -5.032 7.870 -11.665
16 HA PRO 2 HA PRO 2 -7.289 7.822 -4.667
17 1HB PRO 2 2HB PRO 2 -8.538 10.140 -4.357
18 2HB PRO 2 1HB PRO 2 -7.628 9.820 -5.842
19 1HG PRO 2 2HG PRO 2 -10.582 9.596 -5.355
20 2HG PRO 2 1HG PRO 2 -9.735 10.362 -6.711
21 1HD PRO 2 2HD PRO 2 -10.772 7.821 -6.788
22 2HD PRO 2 1HD PRO 2 -9.407 8.362 -7.787
23 H ASP 3 H ASP 3 -9.307 5.886 -4.127
24 HA ASP 3 HA ASP 3 -9.759 6.368 -1.387
25 1HB ASP 3 2HB ASP 3 -11.572 7.764 -2.753
26 2HB ASP 3 1HB ASP 3 -12.389 6.204 -2.780
27 H ALA 4 H ALA 4 -8.535 4.300 -2.343
28 HA ALA 4 HA ALA 4 -10.446 2.106 -2.688
29 1HB ALA 4 1HB ALA 4 -8.963 1.531 -4.249
30 2HB ALA 4 2HB ALA 4 -7.918 1.027 -2.920
31 3HB ALA 4 3HB ALA 4 -7.746 2.639 -3.615
32 HA PRO 5 HA PRO 5 -9.926 1.061 1.620
33 1HB PRO 5 2HB PRO 5 -11.081 -1.529 0.817
34 2HB PRO 5 1HB PRO 5 -11.683 -0.344 1.978
35 1HG PRO 5 2HG PRO 5 -12.875 -0.724 -0.400
36 2HG PRO 5 1HG PRO 5 -12.794 0.874 0.365
37 1HD PRO 5 2HD PRO 5 -11.159 -0.243 -1.878
38 2HD PRO 5 1HD PRO 5 -11.818 1.393 -1.666
39 H CYS 6 H CYS 6 -9.444 -1.400 2.614
40 HA CYS 6 HA CYS 6 -6.940 -2.215 1.300
41 1HB CYS 6 2HB CYS 6 -6.667 -3.014 3.927
42 2HB CYS 6 1HB CYS 6 -5.946 -1.575 3.214
43 H ILE 7 H ILE 7 -9.112 -3.443 0.414
44 HA ILE 7 HA ILE 7 -8.760 -6.140 1.448
45 HB ILE 7 HB ILE 7 -11.408 -4.746 1.216
46 1HG1 ILE 7 2HG1 ILE 7 -11.302 -6.087 3.623
47 2HG1 ILE 7 1HG1 ILE 7 -9.642 -5.535 3.415
48 1HG2 ILE 7 1HG2 ILE 7 -12.318 -6.700 0.646
49 2HG2 ILE 7 2HG2 ILE 7 -11.774 -7.360 2.189
50 3HG2 ILE 7 3HG2 ILE 7 -10.752 -7.504 0.759
51 1HD1 ILE 7 1HD1 ILE 7 -11.718 -4.083 4.467
52 2HD1 ILE 7 2HD1 ILE 7 -11.588 -3.468 2.820
53 3HD1 ILE 7 3HD1 ILE 7 -10.184 -3.435 3.887
54 H CYS 8 H CYS 8 -7.577 -5.710 -0.746
55 HA CYS 8 HA CYS 8 -9.303 -5.954 -3.069
56 1HB CYS 8 2HB CYS 8 -6.509 -5.300 -2.547
57 2HB CYS 8 1HB CYS 8 -6.699 -6.412 -3.895
58 H THR 9 H THR 9 -7.134 -7.863 -1.129
59 HA THR 9 HA THR 9 -8.354 -10.322 -1.785
60 HB THR 9 HB THR 9 -7.180 -10.212 -3.852
61 HG1 THR 9 1HG THR 9 -6.949 -12.229 -2.993
62 1HG2 THR 9 1HG2 THR 9 -5.113 -9.420 -4.249
63 2HG2 THR 9 2HG2 THR 9 -4.484 -9.974 -2.696
64 3HG2 THR 9 3HG2 THR 9 -5.453 -8.502 -2.781
65 H MET 10 H MET 10 -6.487 -12.119 -1.153
66 HA MET 10 HA MET 10 -5.368 -11.167 1.395
67 1HB MET 10 2HB MET 10 -7.111 -13.450 0.819
68 2HB MET 10 1HB MET 10 -5.651 -13.912 1.683
69 1HG MET 10 2HG MET 10 -7.020 -11.550 2.750
70 2HG MET 10 1HG MET 10 -7.931 -13.054 2.853
71 1HE MET 10 1HE MET 10 -5.627 -15.406 4.741
72 2HE MET 10 2HE MET 10 -6.789 -15.208 3.429
73 3HE MET 10 3HE MET 10 -7.279 -14.899 5.093
74 H GLN 11 H GLN 11 -4.390 -11.539 -1.465
75 HA GLN 11 HA GLN 11 -2.450 -13.625 -1.396
76 1HB GLN 11 2HB GLN 11 -3.162 -11.398 -3.210
77 2HB GLN 11 1HB GLN 11 -1.491 -11.939 -3.284
78 1HG GLN 11 2HG GLN 11 -3.792 -13.850 -3.486
79 2HG GLN 11 1HG GLN 11 -3.143 -13.006 -4.891
80 1HE2 GLN 11 1HE2 GLN 11 -3.092 -15.854 -3.448
81 2HE2 GLN 11 2HE2 GLN 11 -1.487 -16.383 -3.807
82 H TYR 12 H TYR 12 -1.985 -12.697 0.907
83 HA TYR 12 HA TYR 12 -0.722 -10.683 1.871
84 1HB TYR 12 2HB TYR 12 -0.700 -12.872 2.977
85 2HB TYR 12 1HB TYR 12 0.588 -13.407 1.905
86 HD1 TYR 12 1HD TYR 12 2.490 -13.701 3.191
87 HD2 TYR 12 2HD TYR 12 0.119 -10.221 3.795
88 HE1 TYR 12 1HE TYR 12 4.164 -12.843 4.775
89 HE2 TYR 12 2HE TYR 12 1.787 -9.351 5.378
90 HH TYR 12 HH TYR 12 4.774 -10.234 5.577
91 H ASP 13 H ASP 13 0.000 -9.323 0.136
92 HA ASP 13 HA ASP 13 2.730 -9.979 -0.765
93 1HB ASP 13 2HB ASP 13 0.440 -9.282 -2.304
94 2HB ASP 13 1HB ASP 13 1.561 -7.927 -2.385
95 HA PRO 14 HA PRO 14 2.716 -6.308 2.133
96 1HB PRO 14 2HB PRO 14 5.123 -7.052 3.260
97 2HB PRO 14 1HB PRO 14 3.532 -7.445 3.916
98 1HG PRO 14 2HG PRO 14 5.371 -9.117 2.264
99 2HG PRO 14 1HG PRO 14 4.347 -9.589 3.633
100 1HD PRO 14 2HD PRO 14 3.648 -10.127 1.091
101 2HD PRO 14 1HD PRO 14 2.438 -9.712 2.324
102 H VAL 15 H VAL 15 3.078 -4.916 0.413
103 HA VAL 15 HA VAL 15 5.772 -4.770 -0.703
104 HB VAL 15 HB VAL 15 4.801 -3.320 -2.380
105 1HG1 VAL 15 1HG1 VAL 15 2.736 -5.421 -2.317
106 2HG1 VAL 15 2HG1 VAL 15 4.411 -5.966 -2.231
107 3HG1 VAL 15 3HG1 VAL 15 3.873 -4.984 -3.594
108 1HG2 VAL 15 1HG2 VAL 15 3.053 -2.051 -1.864
109 2HG2 VAL 15 2HG2 VAL 15 2.722 -3.015 -0.424
110 3HG2 VAL 15 3HG2 VAL 15 2.042 -3.491 -1.981
111 H CYS 16 H CYS 16 7.126 -3.320 -0.103
112 HA CYS 16 HA CYS 16 6.452 -1.405 1.904
113 1HB CYS 16 2HB CYS 16 8.755 -2.751 1.064
114 2HB CYS 16 1HB CYS 16 9.062 -1.050 0.803
115 H GLY 17 H GLY 17 5.757 0.588 1.588
116 1HA GLY 17 2HA GLY 17 6.150 1.733 -1.086
117 2HA GLY 17 1HA GLY 17 4.806 2.115 -0.029
118 H SER 18 H SER 18 6.813 3.734 -1.402
119 HA SER 18 HA SER 18 8.754 4.827 0.186
120 1HB SER 18 2HB SER 18 8.806 5.626 -1.990
121 2HB SER 18 1HB SER 18 7.068 5.916 -2.035
122 HG SER 18 HG SER 18 7.564 7.897 -1.585
123 H ASP 19 H ASP 19 8.280 5.040 2.229
124 HA ASP 19 HA ASP 19 7.332 7.389 3.287
125 1HB ASP 19 2HB ASP 19 5.139 6.087 2.367
126 2HB ASP 19 1HB ASP 19 5.236 5.412 3.991
127 H GLY 20 H GLY 20 7.763 3.964 3.540
128 1HA GLY 20 2HA GLY 20 9.445 3.168 5.102
129 2HA GLY 20 1HA GLY 20 8.795 4.311 6.272
130 H ILE 21 H ILE 21 6.818 2.310 4.127
131 HA ILE 21 HA ILE 21 6.136 0.654 6.466
132 HB ILE 21 HB ILE 21 4.157 2.123 4.746
133 1HG1 ILE 21 2HG1 ILE 21 5.344 2.544 7.407
134 2HG1 ILE 21 1HG1 ILE 21 4.601 3.700 6.311
135 1HG2 ILE 21 1HG2 ILE 21 3.646 0.105 6.932
136 2HG2 ILE 21 2HG2 ILE 21 3.386 -0.151 5.206
137 3HG2 ILE 21 3HG2 ILE 21 2.420 1.040 6.076
138 1HD1 ILE 21 1HD1 ILE 21 3.141 3.781 8.045
139 2HD1 ILE 21 2HD1 ILE 21 3.393 2.094 8.485
140 3HD1 ILE 21 3HD1 ILE 21 2.396 2.501 7.089
141 H THR 22 H THR 22 5.243 -1.347 6.081
142 HA THR 22 HA THR 22 5.546 -2.349 3.328
143 HB THR 22 HB THR 22 5.466 -4.059 5.814
144 HG1 THR 22 1HG THR 22 7.220 -2.638 6.018
145 1HG2 THR 22 1HG2 THR 22 5.155 -5.283 3.774
146 2HG2 THR 22 2HG2 THR 22 6.755 -5.625 4.433
147 3HG2 THR 22 3HG2 THR 22 6.582 -4.527 3.062
148 H TYR 23 H TYR 23 3.576 -2.074 2.465
149 HA TYR 23 HA TYR 23 1.171 -2.565 3.955
150 1HB TYR 23 2HB TYR 23 1.517 -1.961 1.023
151 2HB TYR 23 1HB TYR 23 0.060 -1.741 1.990
152 HD1 TYR 23 1HD TYR 23 0.087 -0.035 3.854
153 HD2 TYR 23 2HD TYR 23 3.216 -0.323 0.985
154 HE1 TYR 23 1HE TYR 23 0.884 2.199 4.501
155 HE2 TYR 23 2HE TYR 23 4.015 1.911 1.620
156 HH TYR 23 HH TYR 23 2.306 3.853 4.046
157 H GLY 24 H GLY 24 0.134 -4.392 4.136
158 1HA GLY 24 2HA GLY 24 0.891 -6.865 3.361
159 2HA GLY 24 1HA GLY 24 -0.798 -6.430 3.580
160 H ASN 25 H ASN 25 -0.611 -4.472 1.382
161 HA ASN 25 HA ASN 25 0.024 -5.919 -0.991
162 1HB ASN 25 2HB ASN 25 -2.877 -5.649 -0.194
163 2HB ASN 25 1HB ASN 25 -2.361 -5.974 -1.845
164 1HD2 ASN 25 1HD2 ASN 25 -3.801 -7.492 0.440
165 2HD2 ASN 25 2HD2 ASN 25 -3.046 -9.042 0.399
166 H ALA 26 H ALA 26 -0.032 -4.636 -2.847
167 HA ALA 26 HA ALA 26 0.375 -1.924 -2.602
168 1HB ALA 26 1HB ALA 26 0.797 -2.054 -4.790
169 2HB ALA 26 2HB ALA 26 -0.863 -2.531 -5.148
170 3HB ALA 26 3HB ALA 26 0.328 -3.752 -4.699
171 H CYS 27 H CYS 27 -2.567 -3.701 -2.773
172 HA CYS 27 HA CYS 27 -4.293 -1.468 -3.283
173 1HB CYS 27 2HB CYS 27 -4.579 -4.363 -2.873
174 2HB CYS 27 1HB CYS 27 -5.894 -3.410 -2.198
175 H MET 28 H MET 28 -3.472 -3.506 -0.488
176 HA MET 28 HA MET 28 -4.924 -2.235 1.492
177 1HB MET 28 2HB MET 28 -2.074 -3.256 1.568
178 2HB MET 28 1HB MET 28 -3.001 -2.821 2.990
179 1HG MET 28 2HG MET 28 -4.498 -4.657 1.392
180 2HG MET 28 1HG MET 28 -2.888 -5.301 1.703
181 1HE MET 28 1HE MET 28 -2.912 -6.877 4.655
182 2HE MET 28 2HE MET 28 -2.951 -6.969 2.894
183 3HE MET 28 3HE MET 28 -4.364 -7.451 3.834
184 H LEU 29 H LEU 29 -1.970 -1.437 -0.137
185 HA LEU 29 HA LEU 29 -1.123 0.857 1.153
186 1HB LEU 29 2HB LEU 29 -0.605 -0.521 -1.245
187 2HB LEU 29 1HB LEU 29 -0.934 1.128 -1.702
188 HG LEU 29 HG LEU 29 1.303 0.035 -0.072
189 1HD1 LEU 29 1HD1 LEU 29 1.260 2.308 -2.033
190 2HD1 LEU 29 2HD1 LEU 29 1.412 0.624 -2.536
191 3HD1 LEU 29 3HD1 LEU 29 2.639 1.350 -1.496
192 1HD2 LEU 29 1HD2 LEU 29 0.544 1.612 1.484
193 2HD2 LEU 29 2HD2 LEU 29 0.035 2.734 0.230
194 3HD2 LEU 29 3HD2 LEU 29 1.750 2.491 0.550
195 H LEU 30 H LEU 30 -3.236 0.515 -1.648
196 HA LEU 30 HA LEU 30 -3.945 3.148 -2.002
197 1HB LEU 30 2HB LEU 30 -5.315 0.540 -2.473
198 2HB LEU 30 1HB LEU 30 -6.277 1.998 -2.594
199 HG LEU 30 HG LEU 30 -3.788 1.409 -4.188
200 1HD1 LEU 30 1HD1 LEU 30 -5.075 0.362 -5.661
201 2HD1 LEU 30 2HD1 LEU 30 -6.172 1.742 -5.737
202 3HD1 LEU 30 3HD1 LEU 30 -6.421 0.483 -4.528
203 1HD2 LEU 30 1HD2 LEU 30 -3.741 3.647 -4.351
204 2HD2 LEU 30 2HD2 LEU 30 -5.403 3.828 -3.788
205 3HD2 LEU 30 3HD2 LEU 30 -5.082 3.419 -5.474
206 H CYS 31 H CYS 31 -4.930 0.835 0.431
207 HA CYS 31 HA CYS 31 -7.022 2.468 1.541
208 1HB CYS 31 2HB CYS 31 -6.686 -0.092 1.803
209 2HB CYS 31 1HB CYS 31 -5.529 0.337 3.057
210 H ALA 32 H ALA 32 -3.598 2.043 1.964
211 HA ALA 32 HA ALA 32 -3.278 3.468 4.381
212 1HB ALA 32 1HB ALA 32 -0.904 3.644 3.690
213 2HB ALA 32 2HB ALA 32 -1.345 2.959 2.126
214 3HB ALA 32 3HB ALA 32 -1.532 1.998 3.592
215 H SER 33 H SER 33 -2.580 4.423 1.025
216 HA SER 33 HA SER 33 -2.161 7.137 1.533
217 1HB SER 33 2HB SER 33 -1.778 5.790 -0.646
218 2HB SER 33 1HB SER 33 -3.469 6.150 -0.999
219 HG SER 33 HG SER 33 -2.925 8.384 -0.772
220 H ALA 34 H ALA 34 -5.032 5.280 1.580
221 HA ALA 34 HA ALA 34 -6.837 7.462 1.079
222 1HB ALA 34 1HB ALA 34 -7.008 4.655 1.127
223 2HB ALA 34 2HB ALA 34 -8.242 5.817 0.641
224 3HB ALA 34 3HB ALA 34 -8.156 5.268 2.316
225 H ARG 35 H ARG 35 -6.162 5.461 3.973
226 HA ARG 35 HA ARG 35 -7.498 7.521 5.568
227 1HB ARG 35 2HB ARG 35 -8.150 5.921 7.023
228 2HB ARG 35 1HB ARG 35 -7.885 4.877 5.640
229 1HG ARG 35 2HG ARG 35 -5.557 5.290 7.417
230 2HG ARG 35 1HG ARG 35 -6.911 4.385 8.080
231 1HD ARG 35 2HD ARG 35 -6.274 2.588 6.966
232 2HD ARG 35 1HD ARG 35 -6.430 3.457 5.440
233 HE ARG 35 HE ARG 35 -4.064 4.283 6.057
234 1HH1 ARG 35 1HH1 ARG 35 -5.322 1.081 6.685
235 2HH1 ARG 35 2HH1 ARG 35 -3.761 0.335 6.667
236 1HH2 ARG 35 1HH2 ARG 35 -2.021 3.293 6.021
237 2HH2 ARG 35 2HH2 ARG 35 -1.890 1.586 6.285
238 H SER 36 H SER 36 -4.536 7.351 4.529
239 HA SER 36 HA SER 36 -3.203 7.683 7.103
240 1HB SER 36 2HB SER 36 -2.177 6.235 5.349
241 2HB SER 36 1HB SER 36 -2.002 7.656 4.323
242 HG SER 36 HG SER 36 -0.821 8.536 6.256
243 H ASP 37 H ASP 37 -1.582 9.418 4.738
244 HA ASP 37 HA ASP 37 -2.962 11.830 4.597
245 1HB ASP 37 2HB ASP 37 -1.763 13.180 6.284
246 2HB ASP 37 1HB ASP 37 -2.758 11.924 7.015
247 H THR 38 H THR 38 -0.987 10.064 3.184
248 HA THR 38 HA THR 38 0.539 12.177 1.996
249 HB THR 38 HB THR 38 2.516 10.230 2.556
250 HG1 THR 38 1HG THR 38 1.586 11.253 4.987
251 1HG2 THR 38 1HG2 THR 38 2.394 12.950 2.439
252 2HG2 THR 38 2HG2 THR 38 3.787 12.010 2.971
253 3HG2 THR 38 3HG2 THR 38 2.656 12.658 4.159
254 HA PRO 39 HA PRO 39 0.075 9.365 -1.382
255 1HB PRO 39 2HB PRO 39 1.651 10.570 -3.194
256 2HB PRO 39 1HB PRO 39 0.134 11.298 -2.650
257 1HG PRO 39 2HG PRO 39 2.940 11.930 -1.836
258 2HG PRO 39 1HG PRO 39 1.586 13.032 -2.143
259 1HD PRO 39 2HD PRO 39 2.408 12.226 0.363
260 2HD PRO 39 1HD PRO 39 0.776 12.810 -0.020
261 H ILE 40 H ILE 40 1.162 7.576 -0.261
262 HA ILE 40 HA ILE 40 3.944 7.211 -0.236
263 HB ILE 40 HB ILE 40 3.432 4.812 0.076
264 1HG1 ILE 40 2HG1 ILE 40 1.076 5.485 -1.305
265 2HG1 ILE 40 1HG1 ILE 40 1.511 3.915 -0.646
266 1HG2 ILE 40 1HG2 ILE 40 2.430 5.051 2.218
267 2HG2 ILE 40 2HG2 ILE 40 1.628 6.548 1.743
268 3HG2 ILE 40 3HG2 ILE 40 3.382 6.505 1.921
269 1HD1 ILE 40 1HD1 ILE 40 0.447 4.615 1.500
270 2HD1 ILE 40 2HD1 ILE 40 -0.660 4.468 0.135
271 3HD1 ILE 40 3HD1 ILE 40 -0.129 6.062 0.672
272 H GLU 41 H GLU 41 5.273 5.829 -1.524
273 HA GLU 41 HA GLU 41 4.213 5.190 -4.196
274 1HB GLU 41 2HB GLU 41 6.436 7.041 -3.532
275 2HB GLU 41 1HB GLU 41 6.678 5.968 -4.905
276 1HG GLU 41 2HG GLU 41 4.562 6.802 -5.873
277 2HG GLU 41 1HG GLU 41 4.442 7.946 -4.538
278 H LEU 42 H LEU 42 4.318 3.009 -4.081
279 HA LEU 42 HA LEU 42 5.739 1.252 -2.735
280 1HB LEU 42 2HB LEU 42 4.632 1.236 -5.361
281 2HB LEU 42 1HB LEU 42 6.117 0.320 -5.355
282 HG LEU 42 HG LEU 42 3.994 -0.989 -4.925
283 1HD1 LEU 42 1HD1 LEU 42 5.339 -2.508 -4.031
284 2HD1 LEU 42 2HD1 LEU 42 5.507 -1.572 -2.545
285 3HD1 LEU 42 3HD1 LEU 42 6.570 -1.251 -3.915
286 1HD2 LEU 42 1HD2 LEU 42 4.076 -0.277 -2.088
287 2HD2 LEU 42 2HD2 LEU 42 2.699 -0.608 -3.139
288 3HD2 LEU 42 3HD2 LEU 42 3.447 0.990 -3.140
289 H VAL 43 H VAL 43 7.722 0.178 -2.776
290 HA VAL 43 HA VAL 43 9.840 1.353 -4.421
291 HB VAL 43 HB VAL 43 10.368 0.954 -1.497
292 1HG1 VAL 43 1HG1 VAL 43 12.323 1.111 -2.856
293 2HG1 VAL 43 2HG1 VAL 43 12.144 2.646 -2.008
294 3HG1 VAL 43 3HG1 VAL 43 11.689 2.517 -3.707
295 1HG2 VAL 43 1HG2 VAL 43 9.417 3.501 -2.803
296 2HG2 VAL 43 2HG2 VAL 43 10.003 3.350 -1.147
297 3HG2 VAL 43 3HG2 VAL 43 8.517 2.536 -1.634
298 H HIS 44 H HIS 44 8.889 -1.187 -2.160
299 HA HIS 44 HA HIS 44 10.394 -3.099 -3.711
300 1HB HIS 44 2HB HIS 44 11.055 -3.761 -1.048
301 2HB HIS 44 1HB HIS 44 12.145 -3.274 -2.340
302 HD1 HIS 44 1HD HIS 44 12.685 -0.673 -2.474
303 HD2 HIS 44 2HD HIS 44 10.733 -1.941 0.966
304 HE1 HIS 44 1HE HIS 44 12.944 1.210 -0.828
305 HE2 HIS 44 2HE HIS 44 11.652 0.472 1.202
306 H LYS 45 H LYS 45 9.181 -4.827 -3.973
307 HA LYS 45 HA LYS 45 6.740 -5.189 -2.562
308 1HB LYS 45 2HB LYS 45 6.432 -7.144 -3.936
309 2HB LYS 45 1HB LYS 45 7.107 -5.861 -4.931
310 1HG LYS 45 2HG LYS 45 9.384 -7.010 -4.282
311 2HG LYS 45 1HG LYS 45 8.336 -8.409 -4.027
312 1HD LYS 45 2HD LYS 45 7.828 -6.952 -6.520
313 2HD LYS 45 1HD LYS 45 9.430 -7.686 -6.420
314 1HE LYS 45 2HE LYS 45 8.272 -9.821 -5.732
315 2HE LYS 45 1HE LYS 45 6.754 -9.041 -6.176
316 1HZ LYS 45 1HZ LYS 45 7.148 -9.382 -8.325
317 2HZ LYS 45 2HZ LYS 45 8.384 -10.436 -7.852
318 3HZ LYS 45 3HZ LYS 45 8.743 -8.827 -8.224
319 H GLY 46 H GLY 46 8.028 -5.154 -0.419
320 1HA GLY 46 2HA GLY 46 7.818 -7.670 0.787
321 2HA GLY 46 1HA GLY 46 9.514 -7.382 0.417
322 H ARG 47 H ARG 47 9.595 -7.534 2.844
323 HA ARG 47 HA ARG 47 8.594 -5.225 4.263
324 1HB ARG 47 2HB ARG 47 10.503 -7.297 5.335
325 2HB ARG 47 1HB ARG 47 9.404 -6.267 6.242
326 1HG ARG 47 2HG ARG 47 7.522 -7.503 5.574
327 2HG ARG 47 1HG ARG 47 8.418 -8.325 4.293
328 1HD ARG 47 2HD ARG 47 9.144 -9.909 5.689
329 2HD ARG 47 1HD ARG 47 9.614 -8.726 6.908
330 HE ARG 47 HE ARG 47 6.868 -8.876 7.031
331 1HH1 ARG 47 1HH1 ARG 47 9.541 -11.075 7.415
332 2HH1 ARG 47 2HH1 ARG 47 8.713 -12.086 8.552
333 1HH2 ARG 47 1HH2 ARG 47 5.769 -10.203 8.526
334 2HH2 ARG 47 2HH2 ARG 47 6.570 -11.592 9.183
335 H CYS 48 H CYS 48 10.024 -4.113 2.422
336 HA CYS 48 HA CYS 48 11.915 -2.923 1.882
337 1HB CYS 48 2HB CYS 48 11.269 -2.404 4.743
338 2HB CYS 48 1HB CYS 48 12.697 -1.646 4.048
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 -5.770 5.650 -4.365
2 2H LYS 1 2HT LYS 1 -4.209 6.277 -4.705
3 3H LYS 1 3HT LYS 1 -5.155 5.596 -5.965
4 HA LYS 1 HA LYS 1 -5.140 8.209 -4.881
5 1HB LYS 1 2HB LYS 1 -4.802 8.020 -7.167
6 2HB LYS 1 1HB LYS 1 -5.990 6.744 -7.349
7 1HG LYS 1 2HG LYS 1 -7.120 8.444 -8.336
8 2HG LYS 1 1HG LYS 1 -7.651 8.705 -6.676
9 1HD LYS 1 2HD LYS 1 -5.403 10.167 -6.655
10 2HD LYS 1 1HD LYS 1 -5.821 10.301 -8.365
11 1HE LYS 1 2HE LYS 1 -7.572 11.636 -7.952
12 2HE LYS 1 1HE LYS 1 -8.091 10.680 -6.564
13 1HZ LYS 1 1HZ LYS 1 -6.490 13.072 -6.651
14 2HZ LYS 1 2HZ LYS 1 -5.839 11.864 -5.664
15 3HZ LYS 1 3HZ LYS 1 -7.408 12.430 -5.382
16 HA PRO 2 HA PRO 2 -9.916 7.852 -4.779
17 1HB PRO 2 2HB PRO 2 -11.087 5.504 -5.462
18 2HB PRO 2 1HB PRO 2 -10.687 6.752 -6.648
19 1HG PRO 2 2HG PRO 2 -9.182 4.260 -5.940
20 2HG PRO 2 1HG PRO 2 -9.526 4.943 -7.541
21 1HD PRO 2 2HD PRO 2 -7.136 5.260 -6.318
22 2HD PRO 2 1HD PRO 2 -7.832 6.497 -7.384
23 H ASP 3 H ASP 3 -11.637 6.581 -3.462
24 HA ASP 3 HA ASP 3 -10.388 5.789 -1.003
25 1HB ASP 3 2HB ASP 3 -13.328 5.601 -1.659
26 2HB ASP 3 1HB ASP 3 -12.583 5.765 -0.072
27 H ALA 4 H ALA 4 -9.276 3.946 -2.207
28 HA ALA 4 HA ALA 4 -10.924 1.623 -2.720
29 1HB ALA 4 1HB ALA 4 -8.254 2.481 -3.377
30 2HB ALA 4 2HB ALA 4 -9.249 1.232 -4.125
31 3HB ALA 4 3HB ALA 4 -8.244 0.840 -2.731
32 HA PRO 5 HA PRO 5 -10.922 0.385 1.596
33 1HB PRO 5 2HB PRO 5 -11.623 -2.193 0.267
34 2HB PRO 5 1HB PRO 5 -12.410 -1.375 1.622
35 1HG PRO 5 2HG PRO 5 -13.494 -1.331 -0.811
36 2HG PRO 5 1HG PRO 5 -13.555 0.095 0.243
37 1HD PRO 5 2HD PRO 5 -11.848 -0.430 -2.144
38 2HD PRO 5 1HD PRO 5 -12.546 1.097 -1.566
39 H CYS 6 H CYS 6 -9.955 -1.526 2.802
40 HA CYS 6 HA CYS 6 -7.355 -2.154 1.599
41 1HB CYS 6 2HB CYS 6 -7.314 -2.884 4.316
42 2HB CYS 6 1HB CYS 6 -6.511 -1.512 3.569
43 H ILE 7 H ILE 7 -9.359 -3.661 0.633
44 HA ILE 7 HA ILE 7 -8.624 -6.294 1.605
45 HB ILE 7 HB ILE 7 -11.427 -5.232 1.621
46 1HG1 ILE 7 2HG1 ILE 7 -9.697 -6.670 3.638
47 2HG1 ILE 7 1HG1 ILE 7 -10.265 -5.005 3.714
48 1HG2 ILE 7 1HG2 ILE 7 -12.049 -7.179 0.668
49 2HG2 ILE 7 2HG2 ILE 7 -11.730 -7.862 2.262
50 3HG2 ILE 7 3HG2 ILE 7 -10.499 -7.951 1.003
51 1HD1 ILE 7 1HD1 ILE 7 -12.623 -6.152 3.653
52 2HD1 ILE 7 2HD1 ILE 7 -11.712 -6.010 5.156
53 3HD1 ILE 7 3HD1 ILE 7 -11.716 -7.534 4.267
54 H CYS 8 H CYS 8 -7.557 -5.968 -0.536
55 HA CYS 8 HA CYS 8 -9.287 -6.153 -2.863
56 1HB CYS 8 2HB CYS 8 -6.521 -5.458 -2.332
57 2HB CYS 8 1HB CYS 8 -6.660 -6.592 -3.667
58 H THR 9 H THR 9 -6.988 -8.091 -1.068
59 HA THR 9 HA THR 9 -8.245 -10.543 -1.689
60 HB THR 9 HB THR 9 -7.208 -10.313 -3.847
61 HG1 THR 9 1HG THR 9 -6.954 -12.373 -3.384
62 1HG2 THR 9 1HG2 THR 9 -5.474 -8.876 -3.876
63 2HG2 THR 9 2HG2 THR 9 -4.563 -10.378 -3.741
64 3HG2 THR 9 3HG2 THR 9 -4.869 -9.401 -2.305
65 H MET 10 H MET 10 -6.511 -12.392 -1.131
66 HA MET 10 HA MET 10 -5.245 -11.502 1.362
67 1HB MET 10 2HB MET 10 -6.656 -14.002 0.566
68 2HB MET 10 1HB MET 10 -5.295 -14.167 1.666
69 1HG MET 10 2HG MET 10 -6.585 -13.597 3.361
70 2HG MET 10 1HG MET 10 -6.911 -12.041 2.603
71 1HE MET 10 1HE MET 10 -8.544 -15.133 4.026
72 2HE MET 10 2HE MET 10 -7.861 -15.812 2.548
73 3HE MET 10 3HE MET 10 -9.611 -15.716 2.748
74 H GLN 11 H GLN 11 -4.315 -11.596 -1.536
75 HA GLN 11 HA GLN 11 -2.210 -13.521 -1.629
76 1HB GLN 11 2HB GLN 11 -3.427 -11.818 -3.450
77 2HB GLN 11 1HB GLN 11 -1.809 -11.154 -3.284
78 1HG GLN 11 2HG GLN 11 -1.875 -14.059 -3.597
79 2HG GLN 11 1HG GLN 11 -2.528 -13.168 -4.970
80 1HE2 GLN 11 1HE2 GLN 11 0.214 -12.935 -2.724
81 2HE2 GLN 11 2HE2 GLN 11 1.396 -12.587 -3.934
82 H TYR 12 H TYR 12 -1.780 -12.666 0.727
83 HA TYR 12 HA TYR 12 -0.617 -10.475 1.587
84 1HB TYR 12 2HB TYR 12 -0.675 -12.873 2.634
85 2HB TYR 12 1HB TYR 12 0.982 -12.965 2.042
86 HD1 TYR 12 1HD TYR 12 2.620 -12.416 3.564
87 HD2 TYR 12 2HD TYR 12 -1.171 -10.513 3.877
88 HE1 TYR 12 1HE TYR 12 3.402 -11.199 5.551
89 HE2 TYR 12 2HE TYR 12 -0.401 -9.289 5.866
90 HH TYR 12 HH TYR 12 2.591 -8.793 6.672
91 H ASP 13 H ASP 13 0.271 -9.228 -0.062
92 HA ASP 13 HA ASP 13 2.994 -10.020 -0.863
93 1HB ASP 13 2HB ASP 13 0.786 -9.320 -2.518
94 2HB ASP 13 1HB ASP 13 1.942 -7.995 -2.599
95 HA PRO 14 HA PRO 14 2.867 -6.333 2.046
96 1HB PRO 14 2HB PRO 14 5.338 -7.089 3.088
97 2HB PRO 14 1HB PRO 14 3.760 -7.412 3.811
98 1HG PRO 14 2HG PRO 14 5.467 -9.181 2.118
99 2HG PRO 14 1HG PRO 14 4.471 -9.594 3.528
100 1HD PRO 14 2HD PRO 14 3.638 -10.164 1.056
101 2HD PRO 14 1HD PRO 14 2.494 -9.578 2.284
102 H VAL 15 H VAL 15 3.175 -4.852 0.432
103 HA VAL 15 HA VAL 15 5.808 -4.621 -0.795
104 HB VAL 15 HB VAL 15 4.755 -3.009 -2.283
105 1HG1 VAL 15 1HG1 VAL 15 4.251 -5.717 -2.223
106 2HG1 VAL 15 2HG1 VAL 15 3.965 -4.637 -3.588
107 3HG1 VAL 15 3HG1 VAL 15 2.656 -5.003 -2.464
108 1HG2 VAL 15 1HG2 VAL 15 2.309 -2.608 -2.147
109 2HG2 VAL 15 2HG2 VAL 15 3.214 -1.939 -0.790
110 3HG2 VAL 15 3HG2 VAL 15 2.306 -3.437 -0.590
111 H CYS 16 H CYS 16 7.214 -3.285 -0.065
112 HA CYS 16 HA CYS 16 6.622 -1.478 2.068
113 1HB CYS 16 2HB CYS 16 8.856 -2.843 1.092
114 2HB CYS 16 1HB CYS 16 9.225 -1.142 0.933
115 H GLY 17 H GLY 17 5.848 0.490 1.813
116 1HA GLY 17 2HA GLY 17 6.292 1.807 -0.760
117 2HA GLY 17 1HA GLY 17 4.957 2.143 0.319
118 H SER 18 H SER 18 7.053 3.775 -0.970
119 HA SER 18 HA SER 18 8.955 4.724 0.759
120 1HB SER 18 2HB SER 18 9.017 5.485 -1.499
121 2HB SER 18 1HB SER 18 7.384 6.137 -1.390
122 HG SER 18 HG SER 18 8.113 7.806 -0.186
123 H ASP 19 H ASP 19 8.399 4.895 2.760
124 HA ASP 19 HA ASP 19 7.469 7.222 3.866
125 1HB ASP 19 2HB ASP 19 5.256 6.781 3.008
126 2HB ASP 19 1HB ASP 19 5.289 5.133 3.625
127 H GLY 20 H GLY 20 7.928 3.809 3.978
128 1HA GLY 20 2HA GLY 20 9.452 2.913 5.610
129 2HA GLY 20 1HA GLY 20 8.770 4.035 6.781
130 H ILE 21 H ILE 21 6.831 2.157 4.496
131 HA ILE 21 HA ILE 21 6.049 0.412 6.732
132 HB ILE 21 HB ILE 21 4.142 2.026 5.058
133 1HG1 ILE 21 2HG1 ILE 21 5.138 3.242 6.935
134 2HG1 ILE 21 1HG1 ILE 21 3.432 2.926 7.240
135 1HG2 ILE 21 1HG2 ILE 21 3.539 -0.130 7.080
136 2HG2 ILE 21 2HG2 ILE 21 3.304 -0.250 5.337
137 3HG2 ILE 21 3HG2 ILE 21 2.349 0.895 6.278
138 1HD1 ILE 21 1HD1 ILE 21 3.901 1.823 9.102
139 2HD1 ILE 21 2HD1 ILE 21 5.564 2.384 8.924
140 3HD1 ILE 21 3HD1 ILE 21 5.090 0.810 8.283
141 H THR 22 H THR 22 5.294 -1.588 6.234
142 HA THR 22 HA THR 22 5.557 -2.409 3.422
143 HB THR 22 HB THR 22 5.572 -4.213 5.847
144 HG1 THR 22 1HG THR 22 7.742 -4.058 5.877
145 1HG2 THR 22 1HG2 THR 22 5.121 -5.283 3.667
146 2HG2 THR 22 2HG2 THR 22 6.617 -5.826 4.428
147 3HG2 THR 22 3HG2 THR 22 6.672 -4.678 3.090
148 H TYR 23 H TYR 23 3.575 -2.095 2.603
149 HA TYR 23 HA TYR 23 1.179 -2.715 4.049
150 1HB TYR 23 2HB TYR 23 1.512 -1.998 1.139
151 2HB TYR 23 1HB TYR 23 0.058 -1.822 2.122
152 HD1 TYR 23 1HD TYR 23 0.070 -0.151 4.017
153 HD2 TYR 23 2HD TYR 23 3.194 -0.349 1.136
154 HE1 TYR 23 1HE TYR 23 0.840 2.084 4.698
155 HE2 TYR 23 2HE TYR 23 3.966 1.882 1.808
156 HH TYR 23 HH TYR 23 3.578 3.660 3.082
157 H GLY 24 H GLY 24 0.154 -4.583 4.122
158 1HA GLY 24 2HA GLY 24 1.016 -6.991 3.234
159 2HA GLY 24 1HA GLY 24 -0.685 -6.632 3.479
160 H ASN 25 H ASN 25 -0.491 -4.545 1.353
161 HA ASN 25 HA ASN 25 0.204 -5.773 -1.083
162 1HB ASN 25 2HB ASN 25 -2.454 -5.760 -1.704
163 2HB ASN 25 1HB ASN 25 -1.542 -7.202 -1.259
164 1HD2 ASN 25 1HD2 ASN 25 -3.184 -8.304 -0.251
165 2HD2 ASN 25 2HD2 ASN 25 -3.937 -7.751 1.199
166 H ALA 26 H ALA 26 -0.059 -4.410 -2.833
167 HA ALA 26 HA ALA 26 0.130 -1.714 -2.476
168 1HB ALA 26 1HB ALA 26 -0.125 -1.452 -4.809
169 2HB ALA 26 2HB ALA 26 -1.122 -2.901 -4.940
170 3HB ALA 26 3HB ALA 26 0.599 -3.044 -4.580
171 H CYS 27 H CYS 27 -2.708 -3.655 -2.509
172 HA CYS 27 HA CYS 27 -4.539 -1.477 -2.904
173 1HB CYS 27 2HB CYS 27 -4.782 -4.393 -2.415
174 2HB CYS 27 1HB CYS 27 -6.136 -3.385 -1.908
175 H MET 28 H MET 28 -3.557 -3.504 -0.135
176 HA MET 28 HA MET 28 -5.010 -2.237 1.873
177 1HB MET 28 2HB MET 28 -2.352 -3.568 1.724
178 2HB MET 28 1HB MET 28 -2.645 -2.559 3.123
179 1HG MET 28 2HG MET 28 -4.577 -3.826 3.754
180 2HG MET 28 1HG MET 28 -4.461 -4.803 2.295
181 1HE MET 28 1HE MET 28 -4.634 -5.028 5.415
182 2HE MET 28 2HE MET 28 -3.122 -5.328 6.273
183 3HE MET 28 3HE MET 28 -4.014 -6.674 5.561
184 H LEU 29 H LEU 29 -2.215 -1.392 0.060
185 HA LEU 29 HA LEU 29 -1.331 0.905 1.355
186 1HB LEU 29 2HB LEU 29 -0.873 -0.513 -1.058
187 2HB LEU 29 1HB LEU 29 -1.125 1.160 -1.483
188 HG LEU 29 HG LEU 29 1.054 -0.067 0.142
189 1HD1 LEU 29 1HD1 LEU 29 0.920 2.029 -2.026
190 2HD1 LEU 29 2HD1 LEU 29 1.483 0.365 -2.193
191 3HD1 LEU 29 3HD1 LEU 29 2.402 1.514 -1.220
192 1HD2 LEU 29 1HD2 LEU 29 1.631 2.359 0.769
193 2HD2 LEU 29 2HD2 LEU 29 0.378 1.544 1.697
194 3HD2 LEU 29 3HD2 LEU 29 -0.066 2.699 0.448
195 H LEU 30 H LEU 30 -3.546 0.439 -1.348
196 HA LEU 30 HA LEU 30 -4.310 3.054 -1.774
197 1HB LEU 30 2HB LEU 30 -5.695 0.419 -2.081
198 2HB LEU 30 1HB LEU 30 -6.643 1.880 -2.246
199 HG LEU 30 HG LEU 30 -4.162 1.336 -3.862
200 1HD1 LEU 30 1HD1 LEU 30 -6.830 0.224 -4.110
201 2HD1 LEU 30 2HD1 LEU 30 -5.341 -0.210 -4.947
202 3HD1 LEU 30 3HD1 LEU 30 -6.337 1.115 -5.550
203 1HD2 LEU 30 1HD2 LEU 30 -6.400 3.137 -4.666
204 2HD2 LEU 30 2HD2 LEU 30 -4.691 3.203 -5.095
205 3HD2 LEU 30 3HD2 LEU 30 -5.218 3.704 -3.488
206 H CYS 31 H CYS 31 -5.139 0.811 0.782
207 HA CYS 31 HA CYS 31 -7.208 2.505 1.888
208 1HB CYS 31 2HB CYS 31 -7.138 0.018 2.238
209 2HB CYS 31 1HB CYS 31 -5.714 0.248 3.246
210 H ALA 32 H ALA 32 -3.787 2.045 2.195
211 HA ALA 32 HA ALA 32 -3.369 3.513 4.581
212 1HB ALA 32 1HB ALA 32 -1.698 2.406 2.423
213 2HB ALA 32 2HB ALA 32 -1.471 2.355 4.172
214 3HB ALA 32 3HB ALA 32 -1.029 3.803 3.267
215 H SER 33 H SER 33 -2.745 4.365 1.180
216 HA SER 33 HA SER 33 -2.266 7.080 1.556
217 1HB SER 33 2HB SER 33 -2.536 5.350 -0.635
218 2HB SER 33 1HB SER 33 -3.750 6.604 -0.893
219 HG SER 33 HG SER 33 -2.213 8.086 -1.072
220 H ALA 34 H ALA 34 -5.212 5.280 1.638
221 HA ALA 34 HA ALA 34 -6.939 7.585 1.364
222 1HB ALA 34 1HB ALA 34 -8.263 5.944 0.638
223 2HB ALA 34 2HB ALA 34 -8.476 5.495 2.330
224 3HB ALA 34 3HB ALA 34 -7.239 4.702 1.358
225 H ARG 35 H ARG 35 -5.232 6.061 3.884
226 HA ARG 35 HA ARG 35 -7.071 7.022 5.939
227 1HB ARG 35 2HB ARG 35 -4.712 5.173 5.970
228 2HB ARG 35 1HB ARG 35 -5.339 5.858 7.461
229 1HG ARG 35 2HG ARG 35 -7.460 4.810 7.134
230 2HG ARG 35 1HG ARG 35 -7.004 4.284 5.513
231 1HD ARG 35 2HD ARG 35 -6.871 2.477 7.199
232 2HD ARG 35 1HD ARG 35 -5.333 2.806 6.407
233 HE ARG 35 HE ARG 35 -4.523 3.751 8.396
234 1HH1 ARG 35 1HH1 ARG 35 -7.793 2.568 8.760
235 2HH1 ARG 35 2HH1 ARG 35 -7.729 2.570 10.489
236 1HH2 ARG 35 1HH2 ARG 35 -4.451 3.762 10.666
237 2HH2 ARG 35 2HH2 ARG 35 -5.837 3.252 11.571
238 H SER 36 H SER 36 -3.682 7.409 4.946
239 HA SER 36 HA SER 36 -3.228 9.415 6.960
240 1HB SER 36 2HB SER 36 -1.406 7.924 6.320
241 2HB SER 36 1HB SER 36 -1.491 8.498 4.655
242 HG SER 36 HG SER 36 -0.921 10.140 6.900
243 H ASP 37 H ASP 37 -1.890 10.121 3.867
244 HA ASP 37 HA ASP 37 -3.816 11.783 2.764
245 1HB ASP 37 2HB ASP 37 -2.546 13.988 3.479
246 2HB ASP 37 1HB ASP 37 -3.841 13.322 4.469
247 H THR 38 H THR 38 -0.466 11.015 3.292
248 HA THR 38 HA THR 38 0.342 12.337 0.821
249 HB THR 38 HB THR 38 2.071 12.725 2.237
250 HG1 THR 38 1HG THR 38 3.423 11.660 1.050
251 1HG2 THR 38 1HG2 THR 38 1.342 10.183 3.643
252 2HG2 THR 38 2HG2 THR 38 1.294 11.837 4.254
253 3HG2 THR 38 3HG2 THR 38 2.845 11.047 3.970
254 HA PRO 39 HA PRO 39 -0.325 8.569 -1.456
255 1HB PRO 39 2HB PRO 39 1.290 9.911 -3.524
256 2HB PRO 39 1HB PRO 39 -0.369 9.315 -3.604
257 1HG PRO 39 2HG PRO 39 0.182 11.939 -3.521
258 2HG PRO 39 1HG PRO 39 -1.252 11.259 -2.733
259 1HD PRO 39 2HD PRO 39 1.347 12.121 -1.524
260 2HD PRO 39 1HD PRO 39 -0.307 12.327 -0.911
261 H ILE 40 H ILE 40 1.109 7.339 -0.076
262 HA ILE 40 HA ILE 40 3.793 7.229 0.074
263 HB ILE 40 HB ILE 40 3.538 4.683 0.091
264 1HG1 ILE 40 2HG1 ILE 40 1.258 5.215 -1.318
265 2HG1 ILE 40 1HG1 ILE 40 1.576 3.708 -0.472
266 1HG2 ILE 40 1HG2 ILE 40 1.919 4.895 2.162
267 2HG2 ILE 40 2HG2 ILE 40 2.178 6.618 1.893
268 3HG2 ILE 40 3HG2 ILE 40 3.553 5.557 2.203
269 1HD1 ILE 40 1HD1 ILE 40 0.187 6.018 0.843
270 2HD1 ILE 40 2HD1 ILE 40 0.228 4.330 1.346
271 3HD1 ILE 40 3HD1 ILE 40 -0.675 4.798 -0.094
272 H GLU 41 H GLU 41 5.470 6.065 -1.085
273 HA GLU 41 HA GLU 41 4.791 5.600 -3.915
274 1HB GLU 41 2HB GLU 41 6.959 7.285 -2.756
275 2HB GLU 41 1HB GLU 41 7.282 6.419 -4.254
276 1HG GLU 41 2HG GLU 41 5.299 7.461 -5.257
277 2HG GLU 41 1HG GLU 41 5.042 8.364 -3.766
278 H LEU 42 H LEU 42 4.732 3.419 -3.794
279 HA LEU 42 HA LEU 42 6.065 1.585 -2.433
280 1HB LEU 42 2HB LEU 42 4.952 1.637 -5.063
281 2HB LEU 42 1HB LEU 42 6.365 0.612 -5.037
282 HG LEU 42 HG LEU 42 3.969 -0.358 -4.522
283 1HD1 LEU 42 1HD1 LEU 42 5.843 -1.427 -2.566
284 2HD1 LEU 42 2HD1 LEU 42 6.536 -1.223 -4.175
285 3HD1 LEU 42 3HD1 LEU 42 5.084 -2.200 -3.957
286 1HD2 LEU 42 1HD2 LEU 42 3.811 1.380 -2.600
287 2HD2 LEU 42 2HD2 LEU 42 4.817 0.230 -1.718
288 3HD2 LEU 42 3HD2 LEU 42 3.240 -0.268 -2.331
289 H VAL 43 H VAL 43 7.979 0.490 -2.416
290 HA VAL 43 HA VAL 43 10.195 1.673 -3.939
291 HB VAL 43 HB VAL 43 11.482 1.012 -1.707
292 1HG1 VAL 43 1HG1 VAL 43 10.544 3.570 -1.107
293 2HG1 VAL 43 2HG1 VAL 43 10.459 3.436 -2.864
294 3HG1 VAL 43 3HG1 VAL 43 11.987 3.151 -2.031
295 1HG2 VAL 43 1HG2 VAL 43 10.127 1.786 0.240
296 2HG2 VAL 43 2HG2 VAL 43 9.595 0.256 -0.456
297 3HG2 VAL 43 3HG2 VAL 43 8.707 1.739 -0.803
298 H HIS 44 H HIS 44 9.130 -1.053 -1.948
299 HA HIS 44 HA HIS 44 10.426 -2.873 -3.785
300 1HB HIS 44 2HB HIS 44 10.947 -3.914 -1.194
301 2HB HIS 44 1HB HIS 44 12.102 -3.471 -2.445
302 HD1 HIS 44 1HD HIS 44 13.107 -1.036 -2.301
303 HD2 HIS 44 2HD HIS 44 10.807 -2.215 0.951
304 HE1 HIS 44 1HE HIS 44 13.627 0.617 -0.478
305 HE2 HIS 44 2HE HIS 44 12.129 -0.039 1.435
306 H LYS 45 H LYS 45 9.066 -4.420 -4.288
307 HA LYS 45 HA LYS 45 6.562 -4.711 -2.976
308 1HB LYS 45 2HB LYS 45 6.059 -6.361 -4.630
309 2HB LYS 45 1HB LYS 45 6.970 -5.083 -5.422
310 1HG LYS 45 2HG LYS 45 8.416 -6.579 -6.163
311 2HG LYS 45 1HG LYS 45 8.834 -6.999 -4.500
312 1HD LYS 45 2HD LYS 45 8.155 -9.020 -5.491
313 2HD LYS 45 1HD LYS 45 6.771 -8.493 -4.532
314 1HE LYS 45 2HE LYS 45 5.478 -8.450 -6.339
315 2HE LYS 45 1HE LYS 45 6.603 -7.374 -7.163
316 1HZ LYS 45 1HZ LYS 45 6.131 -9.598 -8.245
317 2HZ LYS 45 2HZ LYS 45 7.062 -10.292 -7.015
318 3HZ LYS 45 3HZ LYS 45 7.760 -9.172 -8.073
319 H GLY 46 H GLY 46 8.012 -5.098 -0.886
320 1HA GLY 46 2HA GLY 46 7.423 -7.736 -0.029
321 2HA GLY 46 1HA GLY 46 9.151 -7.561 -0.318
322 H ARG 47 H ARG 47 9.382 -7.964 2.001
323 HA ARG 47 HA ARG 47 8.445 -5.826 3.736
324 1HB ARG 47 2HB ARG 47 10.242 -7.987 4.735
325 2HB ARG 47 1HB ARG 47 8.882 -7.208 5.530
326 1HG ARG 47 2HG ARG 47 7.332 -8.454 4.118
327 2HG ARG 47 1HG ARG 47 8.693 -9.226 3.301
328 1HD ARG 47 2HD ARG 47 7.704 -10.670 5.026
329 2HD ARG 47 1HD ARG 47 9.386 -10.270 5.373
330 HE ARG 47 HE ARG 47 8.119 -8.405 6.786
331 1HH1 ARG 47 1HH1 ARG 47 7.518 -11.821 6.492
332 2HH1 ARG 47 2HH1 ARG 47 6.876 -11.980 8.093
333 1HH2 ARG 47 1HH2 ARG 47 7.279 -8.601 8.902
334 2HH2 ARG 47 2HH2 ARG 47 6.742 -10.150 9.463
335 H CYS 48 H CYS 48 9.948 -4.561 2.109
336 HA CYS 48 HA CYS 48 11.904 -3.432 1.728
337 1HB CYS 48 2HB CYS 48 11.243 -3.263 4.610
338 2HB CYS 48 1HB CYS 48 12.806 -2.622 4.111
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 -6.673 9.553 -10.150
2 2H LYS 1 2HT LYS 1 -5.180 8.892 -10.679
3 3H LYS 1 3HT LYS 1 -5.292 9.637 -9.138
4 HA LYS 1 HA LYS 1 -6.797 7.245 -9.942
5 1HB LYS 1 2HB LYS 1 -4.063 7.458 -9.552
6 2HB LYS 1 1HB LYS 1 -4.656 6.946 -7.978
7 1HG LYS 1 2HG LYS 1 -4.763 4.866 -8.715
8 2HG LYS 1 1HG LYS 1 -5.963 5.359 -9.911
9 1HD LYS 1 2HD LYS 1 -4.466 5.348 -11.599
10 2HD LYS 1 1HD LYS 1 -3.175 6.007 -10.593
11 1HE LYS 1 2HE LYS 1 -2.569 3.913 -9.783
12 2HE LYS 1 1HE LYS 1 -4.119 3.193 -10.211
13 1HZ LYS 1 1HZ LYS 1 -1.817 3.792 -11.938
14 2HZ LYS 1 2HZ LYS 1 -3.368 3.739 -12.610
15 3HZ LYS 1 3HZ LYS 1 -2.735 2.376 -11.833
16 HA PRO 2 HA PRO 2 -9.019 8.921 -6.362
17 1HB PRO 2 2HB PRO 2 -10.952 6.957 -6.464
18 2HB PRO 2 1HB PRO 2 -11.014 8.474 -7.366
19 1HG PRO 2 2HG PRO 2 -10.158 5.759 -8.277
20 2HG PRO 2 1HG PRO 2 -11.111 6.983 -9.137
21 1HD PRO 2 2HD PRO 2 -8.511 6.588 -9.669
22 2HD PRO 2 1HD PRO 2 -9.236 8.208 -9.726
23 H ASP 3 H ASP 3 -10.089 7.618 -4.442
24 HA ASP 3 HA ASP 3 -7.947 6.095 -3.266
25 1HB ASP 3 2HB ASP 3 -10.669 6.692 -2.097
26 2HB ASP 3 1HB ASP 3 -9.219 6.210 -1.222
27 H ALA 4 H ALA 4 -8.418 4.055 -2.069
28 HA ALA 4 HA ALA 4 -10.544 2.411 -3.187
29 1HB ALA 4 1HB ALA 4 -9.284 1.265 -4.609
30 2HB ALA 4 2HB ALA 4 -8.181 0.826 -3.304
31 3HB ALA 4 3HB ALA 4 -7.914 2.307 -4.223
32 HA PRO 5 HA PRO 5 -10.626 0.705 0.874
33 1HB PRO 5 2HB PRO 5 -11.434 -1.849 0.336
34 2HB PRO 5 1HB PRO 5 -12.517 -0.453 0.306
35 1HG PRO 5 2HG PRO 5 -11.151 -1.842 -1.967
36 2HG PRO 5 1HG PRO 5 -12.819 -1.247 -1.859
37 1HD PRO 5 2HD PRO 5 -10.905 0.120 -3.170
38 2HD PRO 5 1HD PRO 5 -12.196 0.945 -2.271
39 H CYS 6 H CYS 6 -9.895 -1.348 2.107
40 HA CYS 6 HA CYS 6 -7.247 -2.129 1.094
41 1HB CYS 6 2HB CYS 6 -7.187 -2.588 3.827
42 2HB CYS 6 1HB CYS 6 -6.452 -1.229 2.988
43 H ILE 7 H ILE 7 -9.359 -3.588 0.268
44 HA ILE 7 HA ILE 7 -8.803 -6.146 1.536
45 HB ILE 7 HB ILE 7 -11.543 -4.957 1.255
46 1HG1 ILE 7 2HG1 ILE 7 -10.457 -6.405 3.647
47 2HG1 ILE 7 1HG1 ILE 7 -10.012 -4.726 3.357
48 1HG2 ILE 7 1HG2 ILE 7 -12.396 -6.970 0.817
49 2HG2 ILE 7 2HG2 ILE 7 -11.701 -7.581 2.318
50 3HG2 ILE 7 3HG2 ILE 7 -10.776 -7.670 0.819
51 1HD1 ILE 7 1HD1 ILE 7 -11.979 -5.174 4.899
52 2HD1 ILE 7 2HD1 ILE 7 -12.874 -5.606 3.443
53 3HD1 ILE 7 3HD1 ILE 7 -12.210 -3.982 3.620
54 H CYS 8 H CYS 8 -7.647 -5.798 -0.679
55 HA CYS 8 HA CYS 8 -9.287 -6.265 -3.008
56 1HB CYS 8 2HB CYS 8 -6.530 -5.554 -2.448
57 2HB CYS 8 1HB CYS 8 -6.643 -6.798 -3.684
58 H THR 9 H THR 9 -7.129 -8.058 -0.923
59 HA THR 9 HA THR 9 -8.379 -10.547 -1.414
60 HB THR 9 HB THR 9 -7.117 -10.376 -3.536
61 HG1 THR 9 1HG THR 9 -6.080 -12.380 -3.338
62 1HG2 THR 9 1HG2 THR 9 -4.951 -9.604 -1.775
63 2HG2 THR 9 2HG2 THR 9 -5.138 -9.379 -3.514
64 3HG2 THR 9 3HG2 THR 9 -4.512 -10.903 -2.882
65 H MET 10 H MET 10 -6.342 -12.261 -0.804
66 HA MET 10 HA MET 10 -5.271 -11.209 1.722
67 1HB MET 10 2HB MET 10 -6.938 -13.584 1.224
68 2HB MET 10 1HB MET 10 -5.495 -13.913 2.174
69 1HG MET 10 2HG MET 10 -7.689 -13.290 3.375
70 2HG MET 10 1HG MET 10 -6.173 -12.574 3.920
71 1HE MET 10 1HE MET 10 -7.623 -9.308 4.573
72 2HE MET 10 2HE MET 10 -6.853 -10.794 5.128
73 3HE MET 10 3HE MET 10 -8.610 -10.706 4.998
74 H GLN 11 H GLN 11 -4.310 -11.662 -1.124
75 HA GLN 11 HA GLN 11 -2.343 -13.719 -1.023
76 1HB GLN 11 2HB GLN 11 -2.523 -11.287 -2.815
77 2HB GLN 11 1HB GLN 11 -1.474 -12.674 -3.078
78 1HG GLN 11 2HG GLN 11 -4.317 -13.319 -2.758
79 2HG GLN 11 1HG GLN 11 -3.923 -12.357 -4.182
80 1HE2 GLN 11 1HE2 GLN 11 -4.655 -14.262 -5.340
81 2HE2 GLN 11 2HE2 GLN 11 -3.548 -15.560 -5.614
82 H TYR 12 H TYR 12 -1.873 -12.709 1.265
83 HA TYR 12 HA TYR 12 -0.610 -10.656 2.144
84 1HB TYR 12 2HB TYR 12 -0.563 -13.119 3.038
85 2HB TYR 12 1HB TYR 12 1.060 -13.129 2.356
86 HD1 TYR 12 1HD TYR 12 2.590 -12.987 4.081
87 HD2 TYR 12 2HD TYR 12 -0.868 -10.511 4.200
88 HE1 TYR 12 1HE TYR 12 3.452 -11.890 6.105
89 HE2 TYR 12 2HE TYR 12 -0.016 -9.407 6.224
90 HH TYR 12 HH TYR 12 2.898 -9.299 7.172
91 H ASP 13 H ASP 13 0.092 -9.368 0.360
92 HA ASP 13 HA ASP 13 2.833 -10.023 -0.510
93 1HB ASP 13 2HB ASP 13 0.623 -9.672 -2.148
94 2HB ASP 13 1HB ASP 13 1.410 -8.097 -2.190
95 HA PRO 14 HA PRO 14 2.687 -6.207 2.184
96 1HB PRO 14 2HB PRO 14 5.132 -6.804 3.330
97 2HB PRO 14 1HB PRO 14 3.558 -7.213 4.018
98 1HG PRO 14 2HG PRO 14 5.438 -8.914 2.436
99 2HG PRO 14 1HG PRO 14 4.440 -9.346 3.838
100 1HD PRO 14 2HD PRO 14 3.731 -10.039 1.341
101 2HD PRO 14 1HD PRO 14 2.519 -9.579 2.556
102 H VAL 15 H VAL 15 3.017 -4.744 0.605
103 HA VAL 15 HA VAL 15 5.631 -4.589 -0.703
104 HB VAL 15 HB VAL 15 4.514 -2.956 -2.172
105 1HG1 VAL 15 1HG1 VAL 15 4.148 -5.731 -2.061
106 2HG1 VAL 15 2HG1 VAL 15 4.017 -4.685 -3.474
107 3HG1 VAL 15 3HG1 VAL 15 2.586 -5.047 -2.508
108 1HG2 VAL 15 1HG2 VAL 15 1.926 -3.724 -0.865
109 2HG2 VAL 15 2HG2 VAL 15 2.227 -2.435 -2.030
110 3HG2 VAL 15 3HG2 VAL 15 2.829 -2.290 -0.380
111 H CYS 16 H CYS 16 7.033 -3.133 -0.251
112 HA CYS 16 HA CYS 16 6.589 -1.291 1.892
113 1HB CYS 16 2HB CYS 16 8.787 -2.604 0.760
114 2HB CYS 16 1HB CYS 16 9.061 -0.894 0.528
115 H GLY 17 H GLY 17 5.747 0.641 1.666
116 1HA GLY 17 2HA GLY 17 5.920 1.900 -0.970
117 2HA GLY 17 1HA GLY 17 4.656 2.211 0.194
118 H SER 18 H SER 18 6.750 3.776 -1.315
119 HA SER 18 HA SER 18 8.697 4.891 0.184
120 1HB SER 18 2HB SER 18 8.624 5.741 -1.972
121 2HB SER 18 1HB SER 18 6.882 6.017 -1.913
122 HG SER 18 HG SER 18 7.682 8.007 -1.691
123 H ASP 19 H ASP 19 8.340 5.066 2.263
124 HA ASP 19 HA ASP 19 7.515 7.370 3.442
125 1HB ASP 19 2HB ASP 19 5.230 5.690 2.745
126 2HB ASP 19 1HB ASP 19 5.303 6.029 4.471
127 H GLY 20 H GLY 20 7.911 3.955 3.526
128 1HA GLY 20 2HA GLY 20 9.414 2.943 5.080
129 2HA GLY 20 1HA GLY 20 8.938 4.153 6.268
130 H ILE 21 H ILE 21 6.573 2.587 4.234
131 HA ILE 21 HA ILE 21 5.700 1.048 6.600
132 HB ILE 21 HB ILE 21 3.864 2.251 4.548
133 1HG1 ILE 21 2HG1 ILE 21 5.266 3.846 6.092
134 2HG1 ILE 21 1HG1 ILE 21 3.543 4.126 5.863
135 1HG2 ILE 21 1HG2 ILE 21 2.836 0.405 5.608
136 2HG2 ILE 21 2HG2 ILE 21 2.188 1.846 6.392
137 3HG2 ILE 21 3HG2 ILE 21 3.435 0.891 7.194
138 1HD1 ILE 21 1HD1 ILE 21 3.105 3.800 8.017
139 2HD1 ILE 21 2HD1 ILE 21 4.845 3.949 8.265
140 3HD1 ILE 21 3HD1 ILE 21 4.112 2.354 8.093
141 H THR 22 H THR 22 4.993 -1.004 6.329
142 HA THR 22 HA THR 22 5.353 -2.167 3.656
143 HB THR 22 HB THR 22 4.980 -3.880 6.069
144 HG1 THR 22 1HG THR 22 6.486 -2.547 6.914
145 1HG2 THR 22 1HG2 THR 22 6.674 -4.034 3.598
146 2HG2 THR 22 2HG2 THR 22 5.306 -5.051 4.045
147 3HG2 THR 22 3HG2 THR 22 6.817 -5.158 4.949
148 H TYR 23 H TYR 23 3.460 -1.923 2.649
149 HA TYR 23 HA TYR 23 0.941 -2.304 3.987
150 1HB TYR 23 2HB TYR 23 1.520 -1.892 1.054
151 2HB TYR 23 1HB TYR 23 -0.018 -1.635 1.875
152 HD1 TYR 23 1HD TYR 23 -0.355 0.324 3.297
153 HD2 TYR 23 2HD TYR 23 3.368 -0.342 1.347
154 HE1 TYR 23 1HE TYR 23 0.339 2.624 3.833
155 HE2 TYR 23 2HE TYR 23 4.065 1.954 1.880
156 HH TYR 23 HH TYR 23 3.558 3.717 3.434
157 H GLY 24 H GLY 24 -0.049 -4.168 4.252
158 1HA GLY 24 2HA GLY 24 0.805 -6.657 3.640
159 2HA GLY 24 1HA GLY 24 -0.901 -6.260 3.787
160 H ASN 25 H ASN 25 -0.694 -4.425 1.487
161 HA ASN 25 HA ASN 25 0.037 -5.980 -0.789
162 1HB ASN 25 2HB ASN 25 -2.893 -5.732 -0.093
163 2HB ASN 25 1HB ASN 25 -2.310 -6.163 -1.698
164 1HD2 ASN 25 1HD2 ASN 25 -3.777 -7.523 0.685
165 2HD2 ASN 25 2HD2 ASN 25 -2.997 -9.058 0.773
166 H ALA 26 H ALA 26 -0.009 -4.796 -2.704
167 HA ALA 26 HA ALA 26 0.307 -2.065 -2.600
168 1HB ALA 26 1HB ALA 26 0.205 -4.043 -4.632
169 2HB ALA 26 2HB ALA 26 0.885 -2.417 -4.718
170 3HB ALA 26 3HB ALA 26 -0.805 -2.690 -5.145
171 H CYS 27 H CYS 27 -2.576 -3.943 -2.725
172 HA CYS 27 HA CYS 27 -4.349 -1.797 -3.410
173 1HB CYS 27 2HB CYS 27 -4.578 -4.666 -2.800
174 2HB CYS 27 1HB CYS 27 -5.939 -3.694 -2.257
175 H MET 28 H MET 28 -3.565 -3.625 -0.457
176 HA MET 28 HA MET 28 -5.115 -2.242 1.374
177 1HB MET 28 2HB MET 28 -2.288 -3.285 1.575
178 2HB MET 28 1HB MET 28 -3.152 -2.627 2.948
179 1HG MET 28 2HG MET 28 -4.857 -4.525 1.787
180 2HG MET 28 1HG MET 28 -3.254 -5.256 1.851
181 1HE MET 28 1HE MET 28 -2.751 -6.721 3.560
182 2HE MET 28 2HE MET 28 -4.457 -7.156 3.676
183 3HE MET 28 3HE MET 28 -3.525 -6.847 5.140
184 H LEU 29 H LEU 29 -2.164 -1.506 -0.263
185 HA LEU 29 HA LEU 29 -1.383 0.885 0.916
186 1HB LEU 29 2HB LEU 29 -0.739 -0.670 -1.345
187 2HB LEU 29 1HB LEU 29 -1.034 0.946 -1.929
188 HG LEU 29 HG LEU 29 1.082 -0.003 -0.035
189 1HD1 LEU 29 1HD1 LEU 29 0.970 1.527 -2.610
190 2HD1 LEU 29 2HD1 LEU 29 1.829 0.031 -2.251
191 3HD1 LEU 29 3HD1 LEU 29 2.397 1.560 -1.578
192 1HD2 LEU 29 1HD2 LEU 29 0.097 2.829 -0.365
193 2HD2 LEU 29 2HD2 LEU 29 1.613 2.380 0.413
194 3HD2 LEU 29 3HD2 LEU 29 0.082 1.878 1.114
195 H LEU 30 H LEU 30 -3.402 0.257 -1.905
196 HA LEU 30 HA LEU 30 -4.098 2.832 -2.560
197 1HB LEU 30 2HB LEU 30 -5.478 0.195 -2.769
198 2HB LEU 30 1HB LEU 30 -6.433 1.633 -3.064
199 HG LEU 30 HG LEU 30 -3.944 0.810 -4.551
200 1HD1 LEU 30 1HD1 LEU 30 -5.689 0.802 -6.457
201 2HD1 LEU 30 2HD1 LEU 30 -6.871 0.667 -5.154
202 3HD1 LEU 30 3HD1 LEU 30 -5.628 -0.569 -5.348
203 1HD2 LEU 30 1HD2 LEU 30 -5.422 3.346 -4.400
204 2HD2 LEU 30 2HD2 LEU 30 -5.077 2.773 -6.031
205 3HD2 LEU 30 3HD2 LEU 30 -3.758 3.026 -4.889
206 H CYS 31 H CYS 31 -5.140 0.814 0.108
207 HA CYS 31 HA CYS 31 -7.235 2.608 0.953
208 1HB CYS 31 2HB CYS 31 -6.867 0.066 1.537
209 2HB CYS 31 1HB CYS 31 -5.876 0.717 2.841
210 H ALA 32 H ALA 32 -3.829 2.173 1.531
211 HA ALA 32 HA ALA 32 -3.570 3.934 3.736
212 1HB ALA 32 1HB ALA 32 -1.130 4.039 2.756
213 2HB ALA 32 2HB ALA 32 -1.703 2.678 1.791
214 3HB ALA 32 3HB ALA 32 -1.726 2.583 3.552
215 H SER 33 H SER 33 -2.651 4.366 0.322
216 HA SER 33 HA SER 33 -2.141 7.081 0.396
217 1HB SER 33 2HB SER 33 -1.932 5.366 -1.567
218 2HB SER 33 1HB SER 33 -3.569 5.885 -1.964
219 HG SER 33 HG SER 33 -1.782 7.926 -1.463
220 H ALA 34 H ALA 34 -5.132 5.396 0.637
221 HA ALA 34 HA ALA 34 -6.809 7.607 -0.079
222 1HB ALA 34 1HB ALA 34 -7.633 5.394 -0.457
223 2HB ALA 34 2HB ALA 34 -8.639 6.155 0.775
224 3HB ALA 34 3HB ALA 34 -7.415 4.973 1.242
225 H ARG 35 H ARG 35 -5.740 6.158 2.976
226 HA ARG 35 HA ARG 35 -6.261 8.645 4.344
227 1HB ARG 35 2HB ARG 35 -7.628 7.224 6.110
228 2HB ARG 35 1HB ARG 35 -8.417 8.001 4.745
229 1HG ARG 35 2HG ARG 35 -9.271 5.786 4.930
230 2HG ARG 35 1HG ARG 35 -8.235 5.851 3.502
231 1HD ARG 35 2HD ARG 35 -7.559 3.880 4.497
232 2HD ARG 35 1HD ARG 35 -6.384 5.033 5.130
233 HE ARG 35 HE ARG 35 -8.253 5.082 7.035
234 1HH1 ARG 35 1HH1 ARG 35 -6.728 2.417 5.390
235 2HH1 ARG 35 2HH1 ARG 35 -6.864 1.338 6.739
236 1HH2 ARG 35 1HH2 ARG 35 -8.435 3.668 8.818
237 2HH2 ARG 35 2HH2 ARG 35 -7.835 2.049 8.687
238 H SER 36 H SER 36 -3.844 7.569 4.032
239 HA SER 36 HA SER 36 -3.219 5.991 6.409
240 1HB SER 36 2HB SER 36 -2.272 5.340 4.200
241 2HB SER 36 1HB SER 36 -1.377 6.856 4.171
242 HG SER 36 HG SER 36 -0.668 4.584 5.308
243 H ASP 37 H ASP 37 -1.301 8.549 4.884
244 HA ASP 37 HA ASP 37 -1.580 10.406 7.004
245 1HB ASP 37 2HB ASP 37 -0.231 8.646 8.153
246 2HB ASP 37 1HB ASP 37 1.040 8.899 6.961
247 H THR 38 H THR 38 0.401 9.186 4.366
248 HA THR 38 HA THR 38 0.518 11.835 3.216
249 HB THR 38 HB THR 38 3.200 10.741 3.161
250 HG1 THR 38 1HG THR 38 3.678 10.757 5.264
251 1HG2 THR 38 1HG2 THR 38 3.163 13.144 4.596
252 2HG2 THR 38 2HG2 THR 38 1.922 13.290 3.351
253 3HG2 THR 38 3HG2 THR 38 3.582 12.898 2.900
254 HA PRO 39 HA PRO 39 0.367 9.759 -0.645
255 1HB PRO 39 2HB PRO 39 2.635 11.425 -1.585
256 2HB PRO 39 1HB PRO 39 1.004 11.269 -2.246
257 1HG PRO 39 2HG PRO 39 1.732 13.458 -0.910
258 2HG PRO 39 1HG PRO 39 0.104 12.779 -0.734
259 1HD PRO 39 2HD PRO 39 2.447 12.589 1.117
260 2HD PRO 39 1HD PRO 39 0.725 12.804 1.496
261 H ILE 40 H ILE 40 1.156 7.709 -0.001
262 HA ILE 40 HA ILE 40 3.962 7.166 0.158
263 HB ILE 40 HB ILE 40 3.306 4.854 0.412
264 1HG1 ILE 40 2HG1 ILE 40 1.106 5.652 -1.177
265 2HG1 ILE 40 1HG1 ILE 40 1.497 4.035 -0.615
266 1HG2 ILE 40 1HG2 ILE 40 1.808 6.939 1.933
267 2HG2 ILE 40 2HG2 ILE 40 3.147 5.915 2.451
268 3HG2 ILE 40 3HG2 ILE 40 1.531 5.233 2.284
269 1HD1 ILE 40 1HD1 ILE 40 0.209 4.546 1.468
270 2HD1 ILE 40 2HD1 ILE 40 -0.751 4.501 -0.011
271 3HD1 ILE 40 3HD1 ILE 40 -0.300 6.051 0.702
272 H GLU 41 H GLU 41 5.149 5.751 -1.250
273 HA GLU 41 HA GLU 41 4.020 5.316 -3.918
274 1HB GLU 41 2HB GLU 41 6.263 7.153 -3.264
275 2HB GLU 41 1HB GLU 41 6.434 6.159 -4.705
276 1HG GLU 41 2HG GLU 41 4.745 7.216 -5.810
277 2HG GLU 41 1HG GLU 41 3.896 7.648 -4.325
278 H LEU 42 H LEU 42 4.109 3.121 -3.745
279 HA LEU 42 HA LEU 42 5.750 1.433 -2.532
280 1HB LEU 42 2HB LEU 42 4.115 1.250 -4.810
281 2HB LEU 42 1HB LEU 42 5.613 0.440 -5.190
282 HG LEU 42 HG LEU 42 3.551 -0.822 -4.077
283 1HD1 LEU 42 1HD1 LEU 42 4.980 -2.523 -4.089
284 2HD1 LEU 42 2HD1 LEU 42 5.995 -1.781 -2.852
285 3HD1 LEU 42 3HD1 LEU 42 6.217 -1.353 -4.548
286 1HD2 LEU 42 1HD2 LEU 42 3.417 -0.794 -1.812
287 2HD2 LEU 42 2HD2 LEU 42 4.013 0.849 -2.046
288 3HD2 LEU 42 3HD2 LEU 42 5.130 -0.438 -1.603
289 H VAL 43 H VAL 43 7.650 0.333 -2.845
290 HA VAL 43 HA VAL 43 9.512 1.407 -4.831
291 HB VAL 43 HB VAL 43 11.076 1.077 -2.536
292 1HG1 VAL 43 1HG1 VAL 43 11.457 2.623 -4.402
293 2HG1 VAL 43 2HG1 VAL 43 11.569 3.429 -2.838
294 3HG1 VAL 43 3HG1 VAL 43 10.123 3.624 -3.829
295 1HG2 VAL 43 1HG2 VAL 43 10.144 2.342 -0.817
296 2HG2 VAL 43 2HG2 VAL 43 8.801 1.338 -1.363
297 3HG2 VAL 43 3HG2 VAL 43 8.902 3.026 -1.866
298 H HIS 44 H HIS 44 8.856 -1.018 -2.345
299 HA HIS 44 HA HIS 44 10.081 -3.024 -4.030
300 1HB HIS 44 2HB HIS 44 10.996 -3.695 -1.454
301 2HB HIS 44 1HB HIS 44 11.963 -3.243 -2.852
302 HD1 HIS 44 1HD HIS 44 12.840 -0.803 -2.949
303 HD2 HIS 44 2HD HIS 44 10.736 -1.748 0.506
304 HE1 HIS 44 1HE HIS 44 13.322 1.066 -1.338
305 HE2 HIS 44 2HE HIS 44 12.027 0.484 0.742
306 H LYS 45 H LYS 45 8.730 -4.653 -4.154
307 HA LYS 45 HA LYS 45 6.437 -4.868 -2.507
308 1HB LYS 45 2HB LYS 45 7.616 -6.827 -4.481
309 2HB LYS 45 1HB LYS 45 6.020 -6.969 -3.757
310 1HG LYS 45 2HG LYS 45 5.488 -4.722 -4.763
311 2HG LYS 45 1HG LYS 45 7.000 -4.865 -5.664
312 1HD LYS 45 2HD LYS 45 5.741 -7.297 -6.077
313 2HD LYS 45 1HD LYS 45 4.425 -6.123 -6.135
314 1HE LYS 45 2HE LYS 45 6.036 -4.792 -7.682
315 2HE LYS 45 1HE LYS 45 6.846 -6.346 -7.880
316 1HZ LYS 45 1HZ LYS 45 4.571 -7.236 -8.480
317 2HZ LYS 45 2HZ LYS 45 5.298 -6.216 -9.614
318 3HZ LYS 45 3HZ LYS 45 4.070 -5.626 -8.612
319 H GLY 46 H GLY 46 7.801 -4.891 -0.464
320 1HA GLY 46 2HA GLY 46 7.557 -7.344 0.817
321 2HA GLY 46 1HA GLY 46 9.234 -7.200 0.297
322 H ARG 47 H ARG 47 9.547 -7.270 2.704
323 HA ARG 47 HA ARG 47 8.826 -4.846 4.106
324 1HB ARG 47 2HB ARG 47 10.635 -7.072 5.058
325 2HB ARG 47 1HB ARG 47 9.828 -5.862 6.047
326 1HG ARG 47 2HG ARG 47 7.740 -6.847 5.774
327 2HG ARG 47 1HG ARG 47 8.254 -7.762 4.355
328 1HD ARG 47 2HD ARG 47 9.860 -8.968 5.928
329 2HD ARG 47 1HD ARG 47 8.931 -8.249 7.243
330 HE ARG 47 HE ARG 47 7.089 -9.462 5.592
331 1HH1 ARG 47 1HH1 ARG 47 9.859 -10.446 7.460
332 2HH1 ARG 47 2HH1 ARG 47 9.257 -12.045 7.750
333 1HH2 ARG 47 1HH2 ARG 47 6.286 -11.562 5.969
334 2HH2 ARG 47 2HH2 ARG 47 7.225 -12.680 6.902
335 H CYS 48 H CYS 48 10.084 -3.853 2.156
336 HA CYS 48 HA CYS 48 11.964 -2.830 1.331
337 1HB CYS 48 2HB CYS 48 11.775 -2.170 4.238
338 2HB CYS 48 1HB CYS 48 13.046 -1.458 3.251
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 -8.151 6.211 -7.860
2 2H LYS 1 2HT LYS 1 -7.193 5.603 -9.147
3 3H LYS 1 3HT LYS 1 -7.952 7.135 -9.289
4 HA LYS 1 HA LYS 1 -5.491 6.396 -8.072
5 1HB LYS 1 2HB LYS 1 -6.648 8.399 -9.721
6 2HB LYS 1 1HB LYS 1 -6.008 9.207 -8.297
7 1HG LYS 1 2HG LYS 1 -4.022 7.408 -9.068
8 2HG LYS 1 1HG LYS 1 -4.620 8.120 -10.568
9 1HD LYS 1 2HD LYS 1 -4.177 10.003 -8.343
10 2HD LYS 1 1HD LYS 1 -2.726 9.252 -9.011
11 1HE LYS 1 2HE LYS 1 -3.085 11.273 -10.213
12 2HE LYS 1 1HE LYS 1 -3.530 9.945 -11.284
13 1HZ LYS 1 1HZ LYS 1 -5.517 11.409 -9.648
14 2HZ LYS 1 2HZ LYS 1 -5.806 10.368 -10.949
15 3HZ LYS 1 3HZ LYS 1 -5.103 11.883 -11.219
16 HA PRO 2 HA PRO 2 -7.219 9.420 -4.629
17 1HB PRO 2 2HB PRO 2 -10.127 9.021 -5.000
18 2HB PRO 2 1HB PRO 2 -9.228 10.507 -4.676
19 1HG PRO 2 2HG PRO 2 -10.278 10.018 -7.088
20 2HG PRO 2 1HG PRO 2 -8.719 10.844 -6.906
21 1HD PRO 2 2HD PRO 2 -9.286 8.005 -7.658
22 2HD PRO 2 1HD PRO 2 -8.049 9.114 -8.287
23 H ASP 3 H ASP 3 -9.131 8.897 -2.783
24 HA ASP 3 HA ASP 3 -8.294 6.636 -1.482
25 1HB ASP 3 2HB ASP 3 -10.161 6.878 -0.025
26 2HB ASP 3 1HB ASP 3 -9.744 8.504 -0.561
27 H ALA 4 H ALA 4 -8.240 4.647 -2.297
28 HA ALA 4 HA ALA 4 -10.679 3.611 -3.589
29 1HB ALA 4 1HB ALA 4 -7.960 3.692 -4.526
30 2HB ALA 4 2HB ALA 4 -9.428 3.226 -5.383
31 3HB ALA 4 3HB ALA 4 -8.542 2.030 -4.438
32 HA PRO 5 HA PRO 5 -10.899 0.450 -0.538
33 1HB PRO 5 2HB PRO 5 -11.723 -1.666 -2.085
34 2HB PRO 5 1HB PRO 5 -12.792 -0.380 -1.515
35 1HG PRO 5 2HG PRO 5 -11.464 -0.702 -4.177
36 2HG PRO 5 1HG PRO 5 -13.116 -0.174 -3.805
37 1HD PRO 5 2HD PRO 5 -11.189 1.582 -4.453
38 2HD PRO 5 1HD PRO 5 -12.439 1.974 -3.254
39 H CYS 6 H CYS 6 -9.888 -1.499 0.174
40 HA CYS 6 HA CYS 6 -7.478 -2.184 -1.376
41 1HB CYS 6 2HB CYS 6 -6.586 -2.883 0.936
42 2HB CYS 6 1HB CYS 6 -6.696 -1.161 0.583
43 H ILE 7 H ILE 7 -8.987 -3.752 -2.438
44 HA ILE 7 HA ILE 7 -8.953 -6.259 -0.917
45 HB ILE 7 HB ILE 7 -11.280 -5.261 -2.548
46 1HG1 ILE 7 2HG1 ILE 7 -11.813 -6.190 0.157
47 2HG1 ILE 7 1HG1 ILE 7 -10.649 -4.869 0.143
48 1HG2 ILE 7 1HG2 ILE 7 -12.020 -7.600 -1.250
49 2HG2 ILE 7 2HG2 ILE 7 -10.406 -7.941 -1.875
50 3HG2 ILE 7 3HG2 ILE 7 -11.683 -7.415 -2.972
51 1HD1 ILE 7 1HD1 ILE 7 -13.054 -4.514 -1.524
52 2HD1 ILE 7 2HD1 ILE 7 -12.178 -3.355 -0.524
53 3HD1 ILE 7 3HD1 ILE 7 -13.289 -4.503 0.224
54 H CYS 8 H CYS 8 -6.945 -5.870 -2.548
55 HA CYS 8 HA CYS 8 -7.488 -6.718 -5.251
56 1HB CYS 8 2HB CYS 8 -4.978 -6.218 -3.655
57 2HB CYS 8 1HB CYS 8 -4.919 -6.901 -5.270
58 H THR 9 H THR 9 -6.311 -8.076 -2.268
59 HA THR 9 HA THR 9 -7.115 -10.707 -2.889
60 HB THR 9 HB THR 9 -5.214 -10.904 -4.256
61 HG1 THR 9 1HG THR 9 -4.564 -12.640 -3.308
62 1HG2 THR 9 1HG2 THR 9 -3.978 -9.062 -2.387
63 2HG2 THR 9 2HG2 THR 9 -3.636 -9.352 -4.092
64 3HG2 THR 9 3HG2 THR 9 -2.930 -10.398 -2.860
65 H MET 10 H MET 10 -7.184 -11.958 -1.058
66 HA MET 10 HA MET 10 -6.476 -10.578 1.407
67 1HB MET 10 2HB MET 10 -8.342 -12.774 0.668
68 2HB MET 10 1HB MET 10 -7.653 -12.829 2.285
69 1HG MET 10 2HG MET 10 -8.475 -10.530 2.669
70 2HG MET 10 1HG MET 10 -9.252 -10.580 1.087
71 1HE MET 10 1HE MET 10 -10.721 -13.677 1.064
72 2HE MET 10 2HE MET 10 -10.955 -12.076 0.363
73 3HE MET 10 3HE MET 10 -12.207 -12.782 1.386
74 H GLN 11 H GLN 11 -4.572 -11.924 -0.514
75 HA GLN 11 HA GLN 11 -3.565 -14.192 0.929
76 1HB GLN 11 2HB GLN 11 -2.657 -12.646 -1.476
77 2HB GLN 11 1HB GLN 11 -1.597 -13.831 -0.727
78 1HG GLN 11 2HG GLN 11 -4.292 -14.829 -1.223
79 2HG GLN 11 1HG GLN 11 -3.433 -14.340 -2.683
80 1HE2 GLN 11 1HE2 GLN 11 -0.858 -14.986 -2.068
81 2HE2 GLN 11 2HE2 GLN 11 -0.709 -16.697 -1.873
82 H TYR 12 H TYR 12 -1.037 -12.144 -0.110
83 HA TYR 12 HA TYR 12 -0.636 -10.520 2.108
84 1HB TYR 12 2HB TYR 12 -0.485 -12.925 3.112
85 2HB TYR 12 1HB TYR 12 1.117 -12.938 2.380
86 HD1 TYR 12 1HD TYR 12 1.253 -13.339 5.106
87 HD2 TYR 12 2HD TYR 12 0.644 -9.628 3.115
88 HE1 TYR 12 1HE TYR 12 2.146 -12.148 7.062
89 HE2 TYR 12 2HE TYR 12 1.535 -8.428 5.065
90 HH TYR 12 HH TYR 12 1.713 -8.974 7.638
91 H ASP 13 H ASP 13 -0.068 -9.388 0.087
92 HA ASP 13 HA ASP 13 2.665 -9.996 -0.820
93 1HB ASP 13 2HB ASP 13 0.326 -9.384 -2.269
94 2HB ASP 13 1HB ASP 13 1.339 -7.947 -2.367
95 HA PRO 14 HA PRO 14 2.769 -6.319 2.066
96 1HB PRO 14 2HB PRO 14 5.219 -7.070 3.095
97 2HB PRO 14 1HB PRO 14 3.650 -7.426 3.820
98 1HG PRO 14 2HG PRO 14 5.406 -9.154 2.144
99 2HG PRO 14 1HG PRO 14 4.394 -9.588 3.534
100 1HD PRO 14 2HD PRO 14 3.656 -10.132 1.001
101 2HD PRO 14 1HD PRO 14 2.473 -9.713 2.255
102 H VAL 15 H VAL 15 3.086 -4.860 0.409
103 HA VAL 15 HA VAL 15 5.739 -4.696 -0.823
104 HB VAL 15 HB VAL 15 4.724 -3.184 -2.397
105 1HG1 VAL 15 1HG1 VAL 15 3.511 -5.824 -1.905
106 2HG1 VAL 15 2HG1 VAL 15 4.354 -5.211 -3.327
107 3HG1 VAL 15 3HG1 VAL 15 2.669 -4.775 -3.045
108 1HG2 VAL 15 1HG2 VAL 15 2.172 -3.471 -0.829
109 2HG2 VAL 15 2HG2 VAL 15 2.395 -2.532 -2.306
110 3HG2 VAL 15 3HG2 VAL 15 3.213 -2.048 -0.821
111 H CYS 16 H CYS 16 7.112 -3.208 -0.334
112 HA CYS 16 HA CYS 16 6.594 -1.411 1.829
113 1HB CYS 16 2HB CYS 16 8.830 -2.671 0.717
114 2HB CYS 16 1HB CYS 16 9.087 -0.954 0.518
115 H GLY 17 H GLY 17 5.747 0.531 1.641
116 1HA GLY 17 2HA GLY 17 5.961 1.862 -0.958
117 2HA GLY 17 1HA GLY 17 4.670 2.129 0.193
118 H SER 18 H SER 18 6.811 3.765 -1.206
119 HA SER 18 HA SER 18 8.707 4.812 0.417
120 1HB SER 18 2HB SER 18 8.488 5.581 -1.865
121 2HB SER 18 1HB SER 18 6.914 6.294 -1.518
122 HG SER 18 HG SER 18 8.563 7.333 0.221
123 H ASP 19 H ASP 19 8.288 4.917 2.462
124 HA ASP 19 HA ASP 19 7.385 7.143 3.733
125 1HB ASP 19 2HB ASP 19 5.145 5.837 2.708
126 2HB ASP 19 1HB ASP 19 5.194 5.326 4.392
127 H GLY 20 H GLY 20 7.824 3.731 3.619
128 1HA GLY 20 2HA GLY 20 9.323 2.626 5.096
129 2HA GLY 20 1HA GLY 20 8.877 3.774 6.353
130 H ILE 21 H ILE 21 6.417 2.363 4.328
131 HA ILE 21 HA ILE 21 5.659 0.656 6.623
132 HB ILE 21 HB ILE 21 3.967 2.485 4.967
133 1HG1 ILE 21 2HG1 ILE 21 3.146 3.228 7.063
134 2HG1 ILE 21 1HG1 ILE 21 3.758 1.804 7.895
135 1HG2 ILE 21 1HG2 ILE 21 2.877 0.346 4.668
136 2HG2 ILE 21 2HG2 ILE 21 1.938 1.339 5.784
137 3HG2 ILE 21 3HG2 ILE 21 2.950 0.034 6.403
138 1HD1 ILE 21 1HD1 ILE 21 5.890 2.611 7.990
139 2HD1 ILE 21 2HD1 ILE 21 4.963 4.105 8.102
140 3HD1 ILE 21 3HD1 ILE 21 5.688 3.631 6.566
141 H THR 22 H THR 22 5.404 -1.422 6.235
142 HA THR 22 HA THR 22 5.488 -2.383 3.484
143 HB THR 22 HB THR 22 5.307 -4.165 5.900
144 HG1 THR 22 1HG THR 22 7.720 -4.059 5.713
145 1HG2 THR 22 1HG2 THR 22 6.360 -4.415 3.128
146 2HG2 THR 22 2HG2 THR 22 5.313 -5.498 4.045
147 3HG2 THR 22 3HG2 THR 22 7.033 -5.407 4.422
148 H TYR 23 H TYR 23 3.533 -2.091 2.584
149 HA TYR 23 HA TYR 23 1.094 -2.606 4.012
150 1HB TYR 23 2HB TYR 23 1.491 -2.015 1.081
151 2HB TYR 23 1HB TYR 23 0.018 -1.799 2.024
152 HD1 TYR 23 1HD TYR 23 -0.179 0.040 3.621
153 HD2 TYR 23 2HD TYR 23 3.340 -0.471 1.289
154 HE1 TYR 23 1HE TYR 23 0.558 2.297 4.246
155 HE2 TYR 23 2HE TYR 23 4.085 1.784 1.906
156 HH TYR 23 HH TYR 23 2.385 3.691 4.303
157 H GLY 24 H GLY 24 0.104 -4.472 4.186
158 1HA GLY 24 2HA GLY 24 0.975 -6.909 3.376
159 2HA GLY 24 1HA GLY 24 -0.724 -6.551 3.651
160 H ASN 25 H ASN 25 -0.614 -4.540 1.446
161 HA ASN 25 HA ASN 25 -0.002 -5.926 -0.945
162 1HB ASN 25 2HB ASN 25 -2.800 -5.702 -1.272
163 2HB ASN 25 1HB ASN 25 -1.837 -7.175 -1.239
164 1HD2 ASN 25 1HD2 ASN 25 -3.647 -8.243 -0.317
165 2HD2 ASN 25 2HD2 ASN 25 -4.016 -8.070 1.359
166 H ALA 26 H ALA 26 -0.220 -4.639 -2.756
167 HA ALA 26 HA ALA 26 0.006 -1.923 -2.537
168 1HB ALA 26 1HB ALA 26 -1.330 -3.077 -4.955
169 2HB ALA 26 2HB ALA 26 0.346 -3.483 -4.586
170 3HB ALA 26 3HB ALA 26 -0.118 -1.801 -4.850
171 H CYS 27 H CYS 27 -2.835 -3.860 -2.501
172 HA CYS 27 HA CYS 27 -4.713 -1.750 -2.961
173 1HB CYS 27 2HB CYS 27 -4.830 -4.607 -2.528
174 2HB CYS 27 1HB CYS 27 -6.024 -3.762 -1.547
175 H MET 28 H MET 28 -3.762 -3.643 -0.101
176 HA MET 28 HA MET 28 -5.117 -2.223 1.855
177 1HB MET 28 2HB MET 28 -2.451 -3.586 1.768
178 2HB MET 28 1HB MET 28 -2.880 -2.655 3.185
179 1HG MET 28 2HG MET 28 -4.992 -3.986 3.349
180 2HG MET 28 1HG MET 28 -4.336 -5.045 2.109
181 1HE MET 28 1HE MET 28 -4.985 -4.490 5.538
182 2HE MET 28 2HE MET 28 -4.007 -5.681 6.394
183 3HE MET 28 3HE MET 28 -5.167 -6.206 5.174
184 H LEU 29 H LEU 29 -2.306 -1.546 -0.009
185 HA LEU 29 HA LEU 29 -1.351 0.770 1.214
186 1HB LEU 29 2HB LEU 29 -0.906 -0.749 -1.127
187 2HB LEU 29 1HB LEU 29 -1.143 0.906 -1.632
188 HG LEU 29 HG LEU 29 1.006 -0.242 0.092
189 1HD1 LEU 29 1HD1 LEU 29 2.365 1.199 -1.426
190 2HD1 LEU 29 2HD1 LEU 29 0.883 1.585 -2.299
191 3HD1 LEU 29 3HD1 LEU 29 1.469 -0.077 -2.251
192 1HD2 LEU 29 1HD2 LEU 29 1.679 2.066 0.647
193 2HD2 LEU 29 2HD2 LEU 29 0.156 1.622 1.394
194 3HD2 LEU 29 3HD2 LEU 29 0.166 2.656 -0.029
195 H LEU 30 H LEU 30 -3.493 0.289 -1.538
196 HA LEU 30 HA LEU 30 -4.167 2.904 -2.062
197 1HB LEU 30 2HB LEU 30 -5.683 0.319 -2.254
198 2HB LEU 30 1HB LEU 30 -6.490 1.829 -2.621
199 HG LEU 30 HG LEU 30 -3.908 1.281 -3.988
200 1HD1 LEU 30 1HD1 LEU 30 -6.059 0.231 -5.555
201 2HD1 LEU 30 2HD1 LEU 30 -5.969 -0.626 -4.016
202 3HD1 LEU 30 3HD1 LEU 30 -4.552 -0.545 -5.064
203 1HD2 LEU 30 1HD2 LEU 30 -5.770 2.178 -5.800
204 2HD2 LEU 30 2HD2 LEU 30 -4.614 3.180 -4.922
205 3HD2 LEU 30 3HD2 LEU 30 -6.252 2.975 -4.302
206 H CYS 31 H CYS 31 -5.154 0.742 0.497
207 HA CYS 31 HA CYS 31 -7.181 2.491 1.554
208 1HB CYS 31 2HB CYS 31 -6.009 -0.112 2.250
209 2HB CYS 31 1HB CYS 31 -6.416 0.874 3.652
210 H ALA 32 H ALA 32 -3.773 1.931 1.994
211 HA ALA 32 HA ALA 32 -3.367 3.471 4.322
212 1HB ALA 32 1HB ALA 32 -1.112 3.461 2.501
213 2HB ALA 32 2HB ALA 32 -1.810 1.856 2.709
214 3HB ALA 32 3HB ALA 32 -1.261 2.767 4.115
215 H SER 33 H SER 33 -2.672 4.214 0.913
216 HA SER 33 HA SER 33 -2.026 6.900 1.260
217 1HB SER 33 2HB SER 33 -1.932 5.316 -0.853
218 2HB SER 33 1HB SER 33 -3.504 6.040 -1.199
219 HG SER 33 HG SER 33 -1.295 7.059 -1.886
220 H ALA 34 H ALA 34 -5.103 5.325 1.361
221 HA ALA 34 HA ALA 34 -6.584 7.788 0.932
222 1HB ALA 34 1HB ALA 34 -8.550 6.456 0.991
223 2HB ALA 34 2HB ALA 34 -7.685 5.102 1.718
224 3HB ALA 34 3HB ALA 34 -7.344 5.575 0.054
225 H ARG 35 H ARG 35 -5.267 6.112 3.634
226 HA ARG 35 HA ARG 35 -6.832 7.865 5.410
227 1HB ARG 35 2HB ARG 35 -6.992 6.075 7.068
228 2HB ARG 35 1HB ARG 35 -7.777 5.622 5.561
229 1HG ARG 35 2HG ARG 35 -6.642 3.708 5.844
230 2HG ARG 35 1HG ARG 35 -5.313 4.627 5.133
231 1HD ARG 35 2HD ARG 35 -4.872 3.328 7.302
232 2HD ARG 35 1HD ARG 35 -4.295 4.990 7.187
233 HE ARG 35 HE ARG 35 -5.770 5.587 8.840
234 1HH1 ARG 35 1HH1 ARG 35 -6.569 2.412 7.658
235 2HH1 ARG 35 2HH1 ARG 35 -7.711 2.085 8.919
236 1HH2 ARG 35 1HH2 ARG 35 -7.271 5.171 10.506
237 2HH2 ARG 35 2HH2 ARG 35 -8.111 3.657 10.540
238 H SER 36 H SER 36 -3.949 7.712 4.291
239 HA SER 36 HA SER 36 -2.466 7.530 6.791
240 1HB SER 36 2HB SER 36 -1.547 6.431 4.804
241 2HB SER 36 1HB SER 36 -1.495 7.972 3.957
242 HG SER 36 HG SER 36 0.252 6.927 5.759
243 H ASP 37 H ASP 37 -1.450 9.741 4.308
244 HA ASP 37 HA ASP 37 -2.552 12.126 5.227
245 1HB ASP 37 2HB ASP 37 -0.526 13.050 6.413
246 2HB ASP 37 1HB ASP 37 -1.403 11.813 7.308
247 H THR 38 H THR 38 0.223 10.467 3.908
248 HA THR 38 HA THR 38 0.395 12.491 1.787
249 HB THR 38 HB THR 38 2.258 12.667 3.536
250 HG1 THR 38 1HG THR 38 2.417 13.496 1.390
251 1HG2 THR 38 1HG2 THR 38 3.963 11.138 3.651
252 2HG2 THR 38 2HG2 THR 38 3.544 10.390 2.110
253 3HG2 THR 38 3HG2 THR 38 2.549 10.090 3.536
254 HA PRO 39 HA PRO 39 -0.328 8.952 -0.785
255 1HB PRO 39 2HB PRO 39 1.157 10.616 -2.762
256 2HB PRO 39 1HB PRO 39 -0.416 9.823 -2.913
257 1HG PRO 39 2HG PRO 39 -0.257 12.453 -2.548
258 2HG PRO 39 1HG PRO 39 -1.521 11.499 -1.749
259 1HD PRO 39 2HD PRO 39 0.990 12.652 -0.615
260 2HD PRO 39 1HD PRO 39 -0.613 12.484 0.131
261 H ILE 40 H ILE 40 1.119 7.492 0.226
262 HA ILE 40 HA ILE 40 3.885 7.503 0.090
263 HB ILE 40 HB ILE 40 3.812 5.136 0.551
264 1HG1 ILE 40 2HG1 ILE 40 2.145 4.602 -1.232
265 2HG1 ILE 40 1HG1 ILE 40 1.833 3.805 0.300
266 1HG2 ILE 40 1HG2 ILE 40 1.422 5.608 2.058
267 2HG2 ILE 40 2HG2 ILE 40 2.401 7.075 2.014
268 3HG2 ILE 40 3HG2 ILE 40 3.096 5.567 2.607
269 1HD1 ILE 40 1HD1 ILE 40 0.376 6.120 -0.912
270 2HD1 ILE 40 2HD1 ILE 40 0.200 5.670 0.784
271 3HD1 ILE 40 3HD1 ILE 40 -0.252 4.529 -0.483
272 H GLU 41 H GLU 41 5.182 5.782 -1.178
273 HA GLU 41 HA GLU 41 4.149 5.371 -3.882
274 1HB GLU 41 2HB GLU 41 6.350 7.233 -3.181
275 2HB GLU 41 1HB GLU 41 6.583 6.225 -4.603
276 1HG GLU 41 2HG GLU 41 4.413 7.055 -5.476
277 2HG GLU 41 1HG GLU 41 4.333 8.160 -4.104
278 H LEU 42 H LEU 42 4.267 3.199 -3.841
279 HA LEU 42 HA LEU 42 5.829 1.462 -2.583
280 1HB LEU 42 2HB LEU 42 4.447 1.420 -5.083
281 2HB LEU 42 1HB LEU 42 5.917 0.489 -5.205
282 HG LEU 42 HG LEU 42 3.578 -0.548 -4.393
283 1HD1 LEU 42 1HD1 LEU 42 4.792 -2.406 -4.203
284 2HD1 LEU 42 2HD1 LEU 42 5.797 -1.727 -2.922
285 3HD1 LEU 42 3HD1 LEU 42 6.174 -1.389 -4.611
286 1HD2 LEU 42 1HD2 LEU 42 4.930 -0.267 -1.765
287 2HD2 LEU 42 2HD2 LEU 42 3.233 -0.558 -2.137
288 3HD2 LEU 42 3HD2 LEU 42 3.916 1.059 -2.329
289 H VAL 43 H VAL 43 7.766 0.408 -2.810
290 HA VAL 43 HA VAL 43 9.738 1.577 -4.637
291 HB VAL 43 HB VAL 43 10.476 1.159 -1.757
292 1HG1 VAL 43 1HG1 VAL 43 12.292 1.273 -3.384
293 2HG1 VAL 43 2HG1 VAL 43 12.305 2.686 -2.328
294 3HG1 VAL 43 3HG1 VAL 43 11.680 2.820 -3.971
295 1HG2 VAL 43 1HG2 VAL 43 9.078 2.843 -1.256
296 2HG2 VAL 43 2HG2 VAL 43 8.937 3.362 -2.936
297 3HG2 VAL 43 3HG2 VAL 43 10.332 3.854 -1.974
298 H HIS 44 H HIS 44 8.819 -1.019 -2.444
299 HA HIS 44 HA HIS 44 10.207 -2.916 -4.091
300 1HB HIS 44 2HB HIS 44 11.095 -3.640 -1.518
301 2HB HIS 44 1HB HIS 44 12.074 -3.104 -2.880
302 HD1 HIS 44 1HD HIS 44 12.759 -0.582 -2.923
303 HD2 HIS 44 2HD HIS 44 10.769 -1.791 0.515
304 HE1 HIS 44 1HE HIS 44 13.082 1.288 -1.272
305 HE2 HIS 44 2HE HIS 44 11.774 0.585 0.760
306 H LYS 45 H LYS 45 8.906 -4.593 -4.288
307 HA LYS 45 HA LYS 45 6.583 -4.895 -2.692
308 1HB LYS 45 2HB LYS 45 7.855 -6.620 -4.807
309 2HB LYS 45 1HB LYS 45 6.366 -7.077 -3.993
310 1HG LYS 45 2HG LYS 45 5.767 -4.554 -4.773
311 2HG LYS 45 1HG LYS 45 6.843 -5.067 -6.074
312 1HD LYS 45 2HD LYS 45 4.783 -7.015 -5.245
313 2HD LYS 45 1HD LYS 45 4.196 -5.557 -6.047
314 1HE LYS 45 2HE LYS 45 4.963 -6.222 -8.037
315 2HE LYS 45 1HE LYS 45 6.519 -6.708 -7.365
316 1HZ LYS 45 1HZ LYS 45 4.200 -8.405 -6.811
317 2HZ LYS 45 2HZ LYS 45 5.820 -8.833 -7.043
318 3HZ LYS 45 3HZ LYS 45 4.849 -8.449 -8.374
319 H GLY 46 H GLY 46 7.947 -4.945 -0.637
320 1HA GLY 46 2HA GLY 46 7.718 -7.436 0.581
321 2HA GLY 46 1HA GLY 46 9.396 -7.256 0.083
322 H ARG 47 H ARG 47 9.635 -7.409 2.515
323 HA ARG 47 HA ARG 47 8.881 -5.044 3.985
324 1HB ARG 47 2HB ARG 47 10.860 -7.052 5.006
325 2HB ARG 47 1HB ARG 47 9.671 -6.115 5.900
326 1HG ARG 47 2HG ARG 47 7.892 -7.499 5.148
327 2HG ARG 47 1HG ARG 47 8.943 -8.321 3.991
328 1HD ARG 47 2HD ARG 47 8.416 -9.538 6.177
329 2HD ARG 47 1HD ARG 47 10.099 -9.459 5.670
330 HE ARG 47 HE ARG 47 10.519 -7.879 7.372
331 1HH1 ARG 47 1HH1 ARG 47 7.238 -9.093 7.460
332 2HH1 ARG 47 2HH1 ARG 47 6.967 -8.574 9.088
333 1HH2 ARG 47 1HH2 ARG 47 10.148 -7.199 9.505
334 2HH2 ARG 47 2HH2 ARG 47 8.612 -7.502 10.247
335 H CYS 48 H CYS 48 10.143 -3.968 2.054
336 HA CYS 48 HA CYS 48 12.004 -2.862 1.295
337 1HB CYS 48 2HB CYS 48 11.757 -2.316 4.220
338 2HB CYS 48 1HB CYS 48 13.041 -1.549 3.291
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 -18.210 4.486 -3.546
2 2H LYS 1 2HT LYS 1 -17.749 3.009 -4.290
3 3H LYS 1 3HT LYS 1 -17.210 4.504 -4.938
4 HA LYS 1 HA LYS 1 -16.137 4.882 -2.720
5 1HB LYS 1 2HB LYS 1 -16.862 1.960 -2.630
6 2HB LYS 1 1HB LYS 1 -15.523 2.609 -1.693
7 1HG LYS 1 2HG LYS 1 -18.438 3.300 -1.459
8 2HG LYS 1 1HG LYS 1 -17.411 2.508 -0.264
9 1HD LYS 1 2HD LYS 1 -16.047 4.817 -0.668
10 2HD LYS 1 1HD LYS 1 -17.707 5.361 -0.915
11 1HE LYS 1 2HE LYS 1 -18.326 4.901 1.247
12 2HE LYS 1 1HE LYS 1 -17.102 3.648 1.443
13 1HZ LYS 1 1HZ LYS 1 -15.501 5.158 1.974
14 2HZ LYS 1 2HZ LYS 1 -16.850 5.974 2.585
15 3HZ LYS 1 3HZ LYS 1 -16.206 6.414 1.084
16 HA PRO 2 HA PRO 2 -13.271 4.165 -6.240
17 1HB PRO 2 2HB PRO 2 -11.776 6.073 -4.507
18 2HB PRO 2 1HB PRO 2 -12.025 6.102 -6.256
19 1HG PRO 2 2HG PRO 2 -13.380 7.754 -4.672
20 2HG PRO 2 1HG PRO 2 -14.160 6.994 -6.071
21 1HD PRO 2 2HD PRO 2 -14.415 6.341 -3.170
22 2HD PRO 2 1HD PRO 2 -15.642 6.287 -4.453
23 H ASP 3 H ASP 3 -10.597 4.251 -5.758
24 HA ASP 3 HA ASP 3 -10.181 1.799 -4.314
25 1HB ASP 3 2HB ASP 3 -7.932 3.491 -5.347
26 2HB ASP 3 1HB ASP 3 -8.071 1.737 -5.290
27 H ALA 4 H ALA 4 -10.122 1.841 -2.163
28 HA ALA 4 HA ALA 4 -8.128 3.393 -0.819
29 1HB ALA 4 1HB ALA 4 -9.505 5.155 -0.514
30 2HB ALA 4 2HB ALA 4 -10.105 4.164 0.816
31 3HB ALA 4 3HB ALA 4 -10.967 4.191 -0.723
32 HA PRO 5 HA PRO 5 -10.799 0.654 2.491
33 1HB PRO 5 2HB PRO 5 -11.680 -1.036 0.177
34 2HB PRO 5 1HB PRO 5 -12.461 -0.786 1.742
35 1HG PRO 5 2HG PRO 5 -13.194 0.526 -0.545
36 2HG PRO 5 1HG PRO 5 -13.446 1.165 1.085
37 1HD PRO 5 2HD PRO 5 -11.685 2.153 -0.985
38 2HD PRO 5 1HD PRO 5 -12.014 2.852 0.611
39 H CYS 6 H CYS 6 -9.610 -0.979 3.392
40 HA CYS 6 HA CYS 6 -7.388 -1.959 1.776
41 1HB CYS 6 2HB CYS 6 -6.992 -2.854 4.394
42 2HB CYS 6 1HB CYS 6 -6.199 -1.500 3.603
43 H ILE 7 H ILE 7 -9.438 -3.210 0.875
44 HA ILE 7 HA ILE 7 -9.049 -5.937 1.796
45 HB ILE 7 HB ILE 7 -11.730 -4.592 1.658
46 1HG1 ILE 7 2HG1 ILE 7 -10.532 -4.481 3.810
47 2HG1 ILE 7 1HG1 ILE 7 -11.987 -5.465 3.929
48 1HG2 ILE 7 1HG2 ILE 7 -10.987 -7.477 1.405
49 2HG2 ILE 7 2HG2 ILE 7 -12.213 -6.556 0.533
50 3HG2 ILE 7 3HG2 ILE 7 -12.495 -7.037 2.207
51 1HD1 ILE 7 1HD1 ILE 7 -10.223 -6.535 5.130
52 2HD1 ILE 7 2HD1 ILE 7 -9.150 -6.439 3.733
53 3HD1 ILE 7 3HD1 ILE 7 -10.571 -7.483 3.684
54 H CYS 8 H CYS 8 -7.949 -6.182 -0.167
55 HA CYS 8 HA CYS 8 -9.615 -6.063 -2.591
56 1HB CYS 8 2HB CYS 8 -6.864 -5.324 -2.029
57 2HB CYS 8 1HB CYS 8 -6.975 -6.454 -3.370
58 H THR 9 H THR 9 -7.328 -7.947 -0.746
59 HA THR 9 HA THR 9 -8.498 -10.434 -1.401
60 HB THR 9 HB THR 9 -7.420 -10.119 -3.549
61 HG1 THR 9 1HG THR 9 -7.308 -12.217 -2.780
62 1HG2 THR 9 1HG2 THR 9 -5.591 -8.896 -3.716
63 2HG2 THR 9 2HG2 THR 9 -4.701 -10.274 -3.074
64 3HG2 THR 9 3HG2 THR 9 -5.279 -9.013 -1.986
65 H MET 10 H MET 10 -6.308 -12.071 -1.108
66 HA MET 10 HA MET 10 -5.143 -11.259 1.463
67 1HB MET 10 2HB MET 10 -6.793 -13.597 0.848
68 2HB MET 10 1HB MET 10 -5.255 -14.023 1.587
69 1HG MET 10 2HG MET 10 -5.728 -12.562 3.465
70 2HG MET 10 1HG MET 10 -7.245 -12.067 2.716
71 1HE MET 10 1HE MET 10 -9.661 -13.588 3.728
72 2HE MET 10 2HE MET 10 -8.585 -12.376 4.425
73 3HE MET 10 3HE MET 10 -8.976 -13.837 5.334
74 H GLN 11 H GLN 11 -4.347 -11.368 -1.466
75 HA GLN 11 HA GLN 11 -2.316 -13.338 -1.718
76 1HB GLN 11 2HB GLN 11 -3.569 -11.683 -3.464
77 2HB GLN 11 1HB GLN 11 -2.037 -10.842 -3.273
78 1HG GLN 11 2HG GLN 11 -0.931 -12.351 -4.479
79 2HG GLN 11 1HG GLN 11 -1.736 -13.708 -3.693
80 1HE2 GLN 11 1HE2 GLN 11 -3.213 -11.039 -5.450
81 2HE2 GLN 11 2HE2 GLN 11 -3.897 -12.005 -6.708
82 H TYR 12 H TYR 12 -1.713 -12.623 0.623
83 HA TYR 12 HA TYR 12 -0.429 -10.600 1.620
84 1HB TYR 12 2HB TYR 12 -0.223 -13.323 2.039
85 2HB TYR 12 1HB TYR 12 1.441 -12.835 1.738
86 HD1 TYR 12 1HD TYR 12 0.464 -13.942 4.339
87 HD2 TYR 12 2HD TYR 12 0.712 -9.934 2.934
88 HE1 TYR 12 1HE TYR 12 0.643 -13.146 6.658
89 HE2 TYR 12 2HE TYR 12 0.892 -9.128 5.249
90 HH TYR 12 HH TYR 12 0.066 -10.192 7.638
91 H ASP 13 H ASP 13 0.246 -9.159 -0.025
92 HA ASP 13 HA ASP 13 2.919 -9.775 -1.099
93 1HB ASP 13 2HB ASP 13 0.779 -9.388 -2.678
94 2HB ASP 13 1HB ASP 13 1.235 -7.706 -2.425
95 HA PRO 14 HA PRO 14 2.813 -6.252 2.051
96 1HB PRO 14 2HB PRO 14 5.260 -7.084 3.079
97 2HB PRO 14 1HB PRO 14 3.674 -7.418 3.777
98 1HG PRO 14 2HG PRO 14 5.381 -9.142 2.037
99 2HG PRO 14 1HG PRO 14 4.360 -9.597 3.414
100 1HD PRO 14 2HD PRO 14 3.567 -10.052 0.901
101 2HD PRO 14 1HD PRO 14 2.407 -9.533 2.145
102 H VAL 15 H VAL 15 3.113 -4.862 0.306
103 HA VAL 15 HA VAL 15 5.771 -4.608 -0.846
104 HB VAL 15 HB VAL 15 4.735 -3.040 -2.371
105 1HG1 VAL 15 1HG1 VAL 15 4.143 -4.824 -3.552
106 2HG1 VAL 15 2HG1 VAL 15 2.587 -4.832 -2.721
107 3HG1 VAL 15 3HG1 VAL 15 3.939 -5.760 -2.071
108 1HG2 VAL 15 1HG2 VAL 15 2.272 -2.621 -2.231
109 2HG2 VAL 15 2HG2 VAL 15 3.219 -1.879 -0.941
110 3HG2 VAL 15 3HG2 VAL 15 2.305 -3.353 -0.627
111 H CYS 16 H CYS 16 7.179 -3.281 -0.130
112 HA CYS 16 HA CYS 16 6.585 -1.442 1.976
113 1HB CYS 16 2HB CYS 16 8.845 -2.811 1.025
114 2HB CYS 16 1HB CYS 16 9.191 -1.104 0.871
115 H GLY 17 H GLY 17 5.786 0.500 1.661
116 1HA GLY 17 2HA GLY 17 6.256 1.764 -0.936
117 2HA GLY 17 1HA GLY 17 4.904 2.112 0.115
118 H SER 18 H SER 18 7.018 3.718 -1.192
119 HA SER 18 HA SER 18 8.901 4.754 0.482
120 1HB SER 18 2HB SER 18 8.884 5.511 -1.773
121 2HB SER 18 1HB SER 18 7.226 6.092 -1.642
122 HG SER 18 HG SER 18 8.791 7.272 0.207
123 H ASP 19 H ASP 19 8.360 4.871 2.499
124 HA ASP 19 HA ASP 19 7.386 7.163 3.658
125 1HB ASP 19 2HB ASP 19 5.207 6.051 2.598
126 2HB ASP 19 1HB ASP 19 5.270 5.089 4.070
127 H GLY 20 H GLY 20 7.888 3.745 3.707
128 1HA GLY 20 2HA GLY 20 9.438 2.795 5.270
129 2HA GLY 20 1HA GLY 20 8.851 3.938 6.474
130 H ILE 21 H ILE 21 6.723 2.164 4.294
131 HA ILE 21 HA ILE 21 5.973 0.451 6.575
132 HB ILE 21 HB ILE 21 4.069 2.075 4.902
133 1HG1 ILE 21 2HG1 ILE 21 5.293 3.089 6.919
134 2HG1 ILE 21 1HG1 ILE 21 3.537 3.225 6.891
135 1HG2 ILE 21 1HG2 ILE 21 2.845 0.154 5.102
136 2HG2 ILE 21 2HG2 ILE 21 2.423 0.941 6.622
137 3HG2 ILE 21 3HG2 ILE 21 3.643 -0.331 6.597
138 1HD1 ILE 21 1HD1 ILE 21 3.282 1.926 8.703
139 2HD1 ILE 21 2HD1 ILE 21 4.954 2.396 9.017
140 3HD1 ILE 21 3HD1 ILE 21 4.602 0.847 8.250
141 H THR 22 H THR 22 5.330 -1.575 6.138
142 HA THR 22 HA THR 22 5.512 -2.459 3.347
143 HB THR 22 HB THR 22 5.410 -4.229 5.788
144 HG1 THR 22 1HG THR 22 7.592 -4.121 5.907
145 1HG2 THR 22 1HG2 THR 22 6.520 -5.851 4.423
146 2HG2 THR 22 2HG2 THR 22 6.652 -4.700 3.094
147 3HG2 THR 22 3HG2 THR 22 5.070 -5.294 3.588
148 H TYR 23 H TYR 23 3.547 -2.129 2.485
149 HA TYR 23 HA TYR 23 1.128 -2.672 3.937
150 1HB TYR 23 2HB TYR 23 1.472 -1.977 1.024
151 2HB TYR 23 1HB TYR 23 0.026 -1.767 2.011
152 HD1 TYR 23 1HD TYR 23 0.096 -0.103 3.920
153 HD2 TYR 23 2HD TYR 23 3.158 -0.334 0.976
154 HE1 TYR 23 1HE TYR 23 0.893 2.131 4.574
155 HE2 TYR 23 2HE TYR 23 3.957 1.899 1.625
156 HH TYR 23 HH TYR 23 2.192 3.901 3.884
157 H GLY 24 H GLY 24 0.068 -4.507 4.018
158 1HA GLY 24 2HA GLY 24 0.813 -6.958 3.190
159 2HA GLY 24 1HA GLY 24 -0.878 -6.508 3.355
160 H ASN 25 H ASN 25 -0.526 -4.495 1.199
161 HA ASN 25 HA ASN 25 0.270 -5.723 -1.180
162 1HB ASN 25 2HB ASN 25 -2.158 -5.989 -2.109
163 2HB ASN 25 1HB ASN 25 -1.416 -7.293 -1.192
164 1HD2 ASN 25 1HD2 ASN 25 -2.843 -8.230 0.067
165 2HD2 ASN 25 2HD2 ASN 25 -4.075 -7.433 0.979
166 H ALA 26 H ALA 26 -0.141 -4.475 -3.052
167 HA ALA 26 HA ALA 26 0.042 -1.764 -2.790
168 1HB ALA 26 1HB ALA 26 -0.407 -1.584 -5.135
169 2HB ALA 26 2HB ALA 26 -1.254 -3.132 -5.142
170 3HB ALA 26 3HB ALA 26 0.486 -3.081 -4.862
171 H CYS 27 H CYS 27 -2.779 -3.722 -2.609
172 HA CYS 27 HA CYS 27 -4.634 -1.546 -2.995
173 1HB CYS 27 2HB CYS 27 -4.850 -4.452 -2.508
174 2HB CYS 27 1HB CYS 27 -6.146 -3.472 -1.829
175 H MET 28 H MET 28 -3.570 -3.555 -0.257
176 HA MET 28 HA MET 28 -4.877 -2.307 1.839
177 1HB MET 28 2HB MET 28 -2.159 -3.492 1.500
178 2HB MET 28 1HB MET 28 -2.489 -2.602 2.974
179 1HG MET 28 2HG MET 28 -4.659 -4.268 2.789
180 2HG MET 28 1HG MET 28 -3.342 -5.268 2.180
181 1HE MET 28 1HE MET 28 -5.307 -5.394 4.712
182 2HE MET 28 2HE MET 28 -4.994 -3.856 5.516
183 3HE MET 28 3HE MET 28 -4.466 -5.363 6.262
184 H LEU 29 H LEU 29 -2.128 -1.437 -0.062
185 HA LEU 29 HA LEU 29 -1.229 0.875 1.179
186 1HB LEU 29 2HB LEU 29 -0.843 -0.547 -1.233
187 2HB LEU 29 1HB LEU 29 -1.154 1.110 -1.678
188 HG LEU 29 HG LEU 29 1.150 -0.056 -0.207
189 1HD1 LEU 29 1HD1 LEU 29 1.406 0.487 -2.540
190 2HD1 LEU 29 2HD1 LEU 29 2.343 1.634 -1.582
191 3HD1 LEU 29 3HD1 LEU 29 0.791 2.117 -2.266
192 1HD2 LEU 29 1HD2 LEU 29 1.699 2.343 0.500
193 2HD2 LEU 29 2HD2 LEU 29 0.510 1.468 1.459
194 3HD2 LEU 29 3HD2 LEU 29 -0.019 2.663 0.284
195 H LEU 30 H LEU 30 -3.503 0.427 -1.475
196 HA LEU 30 HA LEU 30 -4.271 3.036 -1.872
197 1HB LEU 30 2HB LEU 30 -5.657 0.404 -2.154
198 2HB LEU 30 1HB LEU 30 -6.619 1.861 -2.287
199 HG LEU 30 HG LEU 30 -4.168 1.360 -3.961
200 1HD1 LEU 30 1HD1 LEU 30 -5.363 -0.264 -4.937
201 2HD1 LEU 30 2HD1 LEU 30 -6.279 1.062 -5.655
202 3HD1 LEU 30 3HD1 LEU 30 -6.874 0.267 -4.197
203 1HD2 LEU 30 1HD2 LEU 30 -5.340 3.036 -5.438
204 2HD2 LEU 30 2HD2 LEU 30 -4.721 3.665 -3.911
205 3HD2 LEU 30 3HD2 LEU 30 -6.443 3.328 -4.091
206 H CYS 31 H CYS 31 -5.035 0.824 0.722
207 HA CYS 31 HA CYS 31 -7.064 2.557 1.850
208 1HB CYS 31 2HB CYS 31 -7.142 0.114 2.252
209 2HB CYS 31 1HB CYS 31 -5.610 0.213 3.113
210 H ALA 32 H ALA 32 -3.642 2.021 2.126
211 HA ALA 32 HA ALA 32 -3.177 3.464 4.509
212 1HB ALA 32 1HB ALA 32 -0.877 3.408 3.930
213 2HB ALA 32 2HB ALA 32 -1.246 3.176 2.221
214 3HB ALA 32 3HB ALA 32 -1.571 1.884 3.378
215 H SER 33 H SER 33 -2.741 4.381 1.093
216 HA SER 33 HA SER 33 -2.295 7.131 1.658
217 1HB SER 33 2HB SER 33 -2.377 5.439 -0.661
218 2HB SER 33 1HB SER 33 -3.350 6.879 -0.963
219 HG SER 33 HG SER 33 -1.601 8.138 -0.703
220 H ALA 34 H ALA 34 -5.095 5.206 1.588
221 HA ALA 34 HA ALA 34 -6.901 7.406 0.989
222 1HB ALA 34 1HB ALA 34 -7.489 5.316 0.020
223 2HB ALA 34 2HB ALA 34 -8.664 5.653 1.292
224 3HB ALA 34 3HB ALA 34 -7.368 4.491 1.573
225 H ARG 35 H ARG 35 -5.544 5.892 3.775
226 HA ARG 35 HA ARG 35 -7.521 7.291 5.455
227 1HB ARG 35 2HB ARG 35 -7.141 5.598 7.183
228 2HB ARG 35 1HB ARG 35 -7.733 4.878 5.692
229 1HG ARG 35 2HG ARG 35 -6.065 3.422 5.955
230 2HG ARG 35 1HG ARG 35 -5.028 4.723 5.363
231 1HD ARG 35 2HD ARG 35 -4.322 3.577 7.517
232 2HD ARG 35 1HD ARG 35 -4.373 5.339 7.522
233 HE ARG 35 HE ARG 35 -5.979 5.231 9.137
234 1HH1 ARG 35 1HH1 ARG 35 -5.850 2.162 7.496
235 2HH1 ARG 35 2HH1 ARG 35 -6.981 1.398 8.562
236 1HH2 ARG 35 1HH2 ARG 35 -7.464 4.233 10.551
237 2HH2 ARG 35 2HH2 ARG 35 -7.897 2.574 10.300
238 H SER 36 H SER 36 -4.474 7.612 4.397
239 HA SER 36 HA SER 36 -3.424 8.488 6.987
240 1HB SER 36 2HB SER 36 -2.116 6.828 5.621
241 2HB SER 36 1HB SER 36 -1.890 8.086 4.411
242 HG SER 36 HG SER 36 -1.183 9.223 6.612
243 H ASP 37 H ASP 37 -1.675 9.892 4.519
244 HA ASP 37 HA ASP 37 -3.217 12.051 3.689
245 1HB ASP 37 2HB ASP 37 -2.022 12.329 6.386
246 2HB ASP 37 1HB ASP 37 -1.824 13.706 5.304
247 H THR 38 H THR 38 -1.121 10.272 2.809
248 HA THR 38 HA THR 38 0.534 12.196 1.474
249 HB THR 38 HB THR 38 1.612 11.667 3.780
250 HG1 THR 38 1HG THR 38 3.572 12.016 2.871
251 1HG2 THR 38 1HG2 THR 38 1.456 9.256 3.732
252 2HG2 THR 38 2HG2 THR 38 3.145 9.764 3.746
253 3HG2 THR 38 3HG2 THR 38 2.406 9.204 2.246
254 HA PRO 39 HA PRO 39 -0.076 8.937 -1.490
255 1HB PRO 39 2HB PRO 39 1.435 10.016 -3.478
256 2HB PRO 39 1HB PRO 39 -0.191 10.585 -3.085
257 1HG PRO 39 2HG PRO 39 2.459 11.723 -2.276
258 2HG PRO 39 1HG PRO 39 1.007 12.568 -2.849
259 1HD PRO 39 2HD PRO 39 1.651 12.435 -0.231
260 2HD PRO 39 1HD PRO 39 -0.036 12.436 -0.790
261 H ILE 40 H ILE 40 1.124 7.348 -0.274
262 HA ILE 40 HA ILE 40 3.874 7.134 -0.075
263 HB ILE 40 HB ILE 40 3.469 4.649 -0.005
264 1HG1 ILE 40 2HG1 ILE 40 1.206 5.299 -1.448
265 2HG1 ILE 40 1HG1 ILE 40 1.526 3.746 -0.691
266 1HG2 ILE 40 1HG2 ILE 40 2.041 6.608 1.739
267 2HG2 ILE 40 2HG2 ILE 40 3.475 5.641 2.079
268 3HG2 ILE 40 3HG2 ILE 40 1.887 4.878 2.042
269 1HD1 ILE 40 1HD1 ILE 40 0.290 4.441 1.282
270 2HD1 ILE 40 2HD1 ILE 40 -0.701 4.570 -0.171
271 3HD1 ILE 40 3HD1 ILE 40 -0.002 6.019 0.551
272 H GLU 41 H GLU 41 5.413 5.861 -1.294
273 HA GLU 41 HA GLU 41 4.605 5.351 -4.078
274 1HB GLU 41 2HB GLU 41 6.798 7.134 -3.119
275 2HB GLU 41 1HB GLU 41 7.032 6.234 -4.613
276 1HG GLU 41 2HG GLU 41 5.305 7.333 -5.695
277 2HG GLU 41 1HG GLU 41 4.557 7.850 -4.186
278 H LEU 42 H LEU 42 4.659 3.180 -3.940
279 HA LEU 42 HA LEU 42 6.058 1.400 -2.600
280 1HB LEU 42 2HB LEU 42 5.008 1.435 -5.273
281 2HB LEU 42 1HB LEU 42 6.422 0.418 -5.172
282 HG LEU 42 HG LEU 42 3.968 -0.508 -4.724
283 1HD1 LEU 42 1HD1 LEU 42 5.024 -2.399 -4.148
284 2HD1 LEU 42 2HD1 LEU 42 5.917 -1.624 -2.837
285 3HD1 LEU 42 3HD1 LEU 42 6.480 -1.468 -4.502
286 1HD2 LEU 42 1HD2 LEU 42 4.842 -0.070 -1.907
287 2HD2 LEU 42 2HD2 LEU 42 3.240 -0.442 -2.544
288 3HD2 LEU 42 3HD2 LEU 42 3.908 1.180 -2.728
289 H VAL 43 H VAL 43 8.009 0.348 -2.587
290 HA VAL 43 HA VAL 43 10.172 1.527 -4.171
291 HB VAL 43 HB VAL 43 11.479 1.069 -1.869
292 1HG1 VAL 43 1HG1 VAL 43 11.864 3.071 -2.984
293 2HG1 VAL 43 2HG1 VAL 43 11.141 3.589 -1.462
294 3HG1 VAL 43 3HG1 VAL 43 10.163 3.535 -2.929
295 1HG2 VAL 43 1HG2 VAL 43 10.186 2.005 -0.012
296 2HG2 VAL 43 2HG2 VAL 43 9.469 0.516 -0.624
297 3HG2 VAL 43 3HG2 VAL 43 8.762 2.075 -1.050
298 H HIS 44 H HIS 44 9.165 -1.085 -2.007
299 HA HIS 44 HA HIS 44 10.505 -3.000 -3.706
300 1HB HIS 44 2HB HIS 44 11.194 -3.863 -1.114
301 2HB HIS 44 1HB HIS 44 12.281 -3.341 -2.397
302 HD1 HIS 44 1HD HIS 44 13.179 -0.909 -2.271
303 HD2 HIS 44 2HD HIS 44 10.827 -2.052 0.958
304 HE1 HIS 44 1HE HIS 44 13.558 0.845 -0.514
305 HE2 HIS 44 2HE HIS 44 12.024 0.209 1.376
306 H LYS 45 H LYS 45 9.108 -4.574 -4.060
307 HA LYS 45 HA LYS 45 6.721 -4.859 -2.545
308 1HB LYS 45 2HB LYS 45 6.414 -6.926 -3.994
309 2HB LYS 45 1HB LYS 45 6.568 -5.393 -4.840
310 1HG LYS 45 2HG LYS 45 8.743 -5.875 -5.556
311 2HG LYS 45 1HG LYS 45 8.926 -7.191 -4.394
312 1HD LYS 45 2HD LYS 45 6.702 -7.467 -6.313
313 2HD LYS 45 1HD LYS 45 8.325 -7.555 -7.001
314 1HE LYS 45 2HE LYS 45 8.323 -9.108 -4.638
315 2HE LYS 45 1HE LYS 45 6.875 -9.540 -5.548
316 1HZ LYS 45 1HZ LYS 45 9.310 -10.571 -5.988
317 2HZ LYS 45 2HZ LYS 45 9.281 -9.328 -7.135
318 3HZ LYS 45 3HZ LYS 45 8.077 -10.516 -7.145
319 H GLY 46 H GLY 46 8.008 -5.104 -0.475
320 1HA GLY 46 2HA GLY 46 7.703 -7.693 0.530
321 2HA GLY 46 1HA GLY 46 9.407 -7.441 0.160
322 H ARG 47 H ARG 47 9.570 -7.728 2.557
323 HA ARG 47 HA ARG 47 8.648 -5.467 4.118
324 1HB ARG 47 2HB ARG 47 10.489 -7.584 5.172
325 2HB ARG 47 1HB ARG 47 9.226 -6.691 6.013
326 1HG ARG 47 2HG ARG 47 7.760 -8.294 5.608
327 2HG ARG 47 1HG ARG 47 8.069 -8.192 3.876
328 1HD ARG 47 2HD ARG 47 8.650 -10.376 4.319
329 2HD ARG 47 1HD ARG 47 10.205 -9.559 4.448
330 HE ARG 47 HE ARG 47 8.821 -9.763 6.951
331 1HH1 ARG 47 1HH1 ARG 47 10.929 -11.394 4.714
332 2HH1 ARG 47 2HH1 ARG 47 11.615 -12.434 5.917
333 1HH2 ARG 47 1HH2 ARG 47 9.714 -11.132 8.545
334 2HH2 ARG 47 2HH2 ARG 47 10.921 -12.289 8.092
335 H CYS 48 H CYS 48 10.051 -4.303 2.388
336 HA CYS 48 HA CYS 48 11.968 -3.170 1.836
337 1HB CYS 48 2HB CYS 48 11.415 -2.754 4.732
338 2HB CYS 48 1HB CYS 48 12.854 -2.021 4.034
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 -7.820 7.904 -12.416
2 2H LYS 1 2HT LYS 1 -9.041 8.035 -11.217
3 3H LYS 1 3HT LYS 1 -9.114 6.781 -12.386
4 HA LYS 1 HA LYS 1 -7.734 5.497 -11.308
5 1HB LYS 1 2HB LYS 1 -5.735 6.531 -10.076
6 2HB LYS 1 1HB LYS 1 -5.778 6.697 -11.827
7 1HG LYS 1 2HG LYS 1 -5.937 8.929 -11.738
8 2HG LYS 1 1HG LYS 1 -7.048 8.897 -10.368
9 1HD LYS 1 2HD LYS 1 -5.391 9.124 -8.862
10 2HD LYS 1 1HD LYS 1 -4.310 8.042 -9.743
11 1HE LYS 1 2HE LYS 1 -4.747 10.495 -11.200
12 2HE LYS 1 1HE LYS 1 -4.147 10.822 -9.575
13 1HZ LYS 1 1HZ LYS 1 -2.645 10.096 -11.739
14 2HZ LYS 1 2HZ LYS 1 -2.740 8.677 -10.824
15 3HZ LYS 1 3HZ LYS 1 -2.137 10.094 -10.125
16 HA PRO 2 HA PRO 2 -9.828 5.683 -7.392
17 1HB PRO 2 2HB PRO 2 -8.958 3.355 -6.369
18 2HB PRO 2 1HB PRO 2 -10.096 3.408 -7.722
19 1HG PRO 2 2HG PRO 2 -7.124 3.003 -7.764
20 2HG PRO 2 1HG PRO 2 -8.383 2.103 -8.633
21 1HD PRO 2 2HD PRO 2 -6.922 4.068 -9.799
22 2HD PRO 2 1HD PRO 2 -8.606 3.731 -10.252
23 H ASP 3 H ASP 3 -9.258 5.388 -5.014
24 HA ASP 3 HA ASP 3 -6.641 5.439 -4.059
25 1HB ASP 3 2HB ASP 3 -6.670 7.975 -3.436
26 2HB ASP 3 1HB ASP 3 -6.124 7.480 -5.035
27 H ALA 4 H ALA 4 -8.469 4.086 -2.915
28 HA ALA 4 HA ALA 4 -8.760 5.161 -0.326
29 1HB ALA 4 1HB ALA 4 -10.924 5.647 -2.195
30 2HB ALA 4 2HB ALA 4 -10.623 6.343 -0.603
31 3HB ALA 4 3HB ALA 4 -11.454 4.793 -0.745
32 HA PRO 5 HA PRO 5 -11.111 0.882 -0.560
33 1HB PRO 5 2HB PRO 5 -10.563 0.134 -3.377
34 2HB PRO 5 1HB PRO 5 -12.035 -0.075 -2.424
35 1HG PRO 5 2HG PRO 5 -11.882 1.782 -4.341
36 2HG PRO 5 1HG PRO 5 -12.768 2.081 -2.833
37 1HD PRO 5 2HD PRO 5 -10.067 3.051 -3.674
38 2HD PRO 5 1HD PRO 5 -11.340 3.893 -2.769
39 H CYS 6 H CYS 6 -10.217 -1.443 -0.997
40 HA CYS 6 HA CYS 6 -7.494 -1.714 -1.736
41 1HB CYS 6 2HB CYS 6 -6.570 -2.194 0.506
42 2HB CYS 6 1HB CYS 6 -7.077 -0.516 0.335
43 H ILE 7 H ILE 7 -8.931 -3.345 -2.837
44 HA ILE 7 HA ILE 7 -8.846 -5.811 -1.264
45 HB ILE 7 HB ILE 7 -11.194 -4.941 -2.932
46 1HG1 ILE 7 2HG1 ILE 7 -11.216 -5.686 -0.015
47 2HG1 ILE 7 1HG1 ILE 7 -10.865 -4.039 -0.530
48 1HG2 ILE 7 1HG2 ILE 7 -12.106 -7.160 -1.915
49 2HG2 ILE 7 2HG2 ILE 7 -10.399 -7.564 -1.734
50 3HG2 ILE 7 3HG2 ILE 7 -11.060 -7.220 -3.332
51 1HD1 ILE 7 1HD1 ILE 7 -13.003 -3.619 -1.090
52 2HD1 ILE 7 2HD1 ILE 7 -13.319 -4.913 0.067
53 3HD1 ILE 7 3HD1 ILE 7 -13.293 -5.262 -1.662
54 H CYS 8 H CYS 8 -6.852 -5.814 -2.673
55 HA CYS 8 HA CYS 8 -7.308 -6.453 -5.464
56 1HB CYS 8 2HB CYS 8 -4.895 -6.071 -3.726
57 2HB CYS 8 1HB CYS 8 -4.730 -6.899 -5.268
58 H THR 9 H THR 9 -6.111 -8.014 -2.549
59 HA THR 9 HA THR 9 -7.227 -10.527 -3.163
60 HB THR 9 HB THR 9 -5.481 -10.723 -4.791
61 HG1 THR 9 1HG THR 9 -5.148 -12.669 -4.133
62 1HG2 THR 9 1HG2 THR 9 -3.376 -10.017 -4.620
63 2HG2 THR 9 2HG2 THR 9 -3.208 -10.611 -2.968
64 3HG2 THR 9 3HG2 THR 9 -3.981 -9.055 -3.272
65 H MET 10 H MET 10 -6.568 -12.195 -1.584
66 HA MET 10 HA MET 10 -5.897 -10.937 0.975
67 1HB MET 10 2HB MET 10 -7.424 -13.366 0.159
68 2HB MET 10 1HB MET 10 -6.561 -13.438 1.689
69 1HG MET 10 2HG MET 10 -8.715 -12.735 2.242
70 2HG MET 10 1HG MET 10 -7.736 -11.270 2.283
71 1HE MET 10 1HE MET 10 -10.797 -11.327 2.292
72 2HE MET 10 2HE MET 10 -11.105 -12.619 1.133
73 3HE MET 10 3HE MET 10 -11.616 -10.971 0.771
74 H GLN 11 H GLN 11 -4.071 -11.654 -1.275
75 HA GLN 11 HA GLN 11 -2.420 -13.778 -0.179
76 1HB GLN 11 2HB GLN 11 -2.852 -12.618 -2.751
77 2HB GLN 11 1HB GLN 11 -1.150 -12.450 -2.347
78 1HG GLN 11 2HG GLN 11 -1.655 -14.511 -3.594
79 2HG GLN 11 1HG GLN 11 -0.935 -14.817 -2.014
80 1HE2 GLN 11 1HE2 GLN 11 -3.255 -15.808 -4.086
81 2HE2 GLN 11 2HE2 GLN 11 -4.349 -16.555 -2.976
82 H TYR 12 H TYR 12 -2.269 -12.234 1.760
83 HA TYR 12 HA TYR 12 -1.133 -9.973 2.249
84 1HB TYR 12 2HB TYR 12 -1.326 -11.971 3.847
85 2HB TYR 12 1HB TYR 12 0.329 -12.348 3.379
86 HD1 TYR 12 1HD TYR 12 -1.509 -9.211 4.273
87 HD2 TYR 12 2HD TYR 12 1.857 -11.718 4.979
88 HE1 TYR 12 1HE TYR 12 -0.675 -7.610 5.941
89 HE2 TYR 12 2HE TYR 12 2.699 -10.122 6.652
90 HH TYR 12 HH TYR 12 1.516 -6.988 6.962
91 H ASP 13 H ASP 13 -0.108 -9.167 0.372
92 HA ASP 13 HA ASP 13 2.671 -10.061 -0.006
93 1HB ASP 13 2HB ASP 13 0.604 -9.454 -1.885
94 2HB ASP 13 1HB ASP 13 1.852 -8.222 -2.039
95 HA PRO 14 HA PRO 14 2.586 -6.085 2.425
96 1HB PRO 14 2HB PRO 14 4.967 -6.744 3.674
97 2HB PRO 14 1HB PRO 14 3.350 -7.031 4.324
98 1HG PRO 14 2HG PRO 14 5.168 -8.909 2.869
99 2HG PRO 14 1HG PRO 14 4.129 -9.216 4.275
100 1HD PRO 14 2HD PRO 14 3.392 -10.006 1.837
101 2HD PRO 14 1HD PRO 14 2.198 -9.342 2.974
102 H VAL 15 H VAL 15 2.989 -4.827 0.626
103 HA VAL 15 HA VAL 15 5.699 -4.755 -0.459
104 HB VAL 15 HB VAL 15 4.812 -3.542 -2.269
105 1HG1 VAL 15 1HG1 VAL 15 3.817 -5.313 -3.162
106 2HG1 VAL 15 2HG1 VAL 15 2.379 -5.054 -2.174
107 3HG1 VAL 15 3HG1 VAL 15 3.720 -6.011 -1.545
108 1HG2 VAL 15 1HG2 VAL 15 3.497 -1.929 -0.989
109 2HG2 VAL 15 2HG2 VAL 15 2.275 -3.167 -0.691
110 3HG2 VAL 15 3HG2 VAL 15 2.567 -2.592 -2.333
111 H CYS 16 H CYS 16 7.060 -3.255 0.003
112 HA CYS 16 HA CYS 16 6.446 -1.268 1.963
113 1HB CYS 16 2HB CYS 16 8.727 -2.629 1.064
114 2HB CYS 16 1HB CYS 16 9.006 -0.934 0.743
115 H GLY 17 H GLY 17 5.616 0.642 1.549
116 1HA GLY 17 2HA GLY 17 5.943 1.706 -1.163
117 2HA GLY 17 1HA GLY 17 4.609 2.088 -0.094
118 H SER 18 H SER 18 6.599 3.668 -1.583
119 HA SER 18 HA SER 18 8.528 4.896 -0.124
120 1HB SER 18 2HB SER 18 8.434 5.642 -2.321
121 2HB SER 18 1HB SER 18 6.685 5.869 -2.274
122 HG SER 18 HG SER 18 8.266 7.777 -2.152
123 H ASP 19 H ASP 19 8.134 5.117 1.938
124 HA ASP 19 HA ASP 19 7.201 7.439 3.029
125 1HB ASP 19 2HB ASP 19 4.993 6.004 2.168
126 2HB ASP 19 1HB ASP 19 5.094 5.589 3.876
127 H GLY 20 H GLY 20 7.705 4.033 3.234
128 1HA GLY 20 2HA GLY 20 9.292 3.134 4.779
129 2HA GLY 20 1HA GLY 20 8.807 4.373 5.931
130 H ILE 21 H ILE 21 6.552 2.468 3.991
131 HA ILE 21 HA ILE 21 5.858 0.982 6.443
132 HB ILE 21 HB ILE 21 3.923 2.467 4.681
133 1HG1 ILE 21 2HG1 ILE 21 5.063 3.833 6.378
134 2HG1 ILE 21 1HG1 ILE 21 3.351 3.654 6.747
135 1HG2 ILE 21 1HG2 ILE 21 2.650 0.632 5.112
136 2HG2 ILE 21 2HG2 ILE 21 2.341 1.538 6.593
137 3HG2 ILE 21 3HG2 ILE 21 3.527 0.234 6.589
138 1HD1 ILE 21 1HD1 ILE 21 4.205 1.655 8.212
139 2HD1 ILE 21 2HD1 ILE 21 4.268 3.315 8.805
140 3HD1 ILE 21 3HD1 ILE 21 5.722 2.555 8.157
141 H THR 22 H THR 22 5.232 -1.081 6.207
142 HA THR 22 HA THR 22 5.369 -2.223 3.517
143 HB THR 22 HB THR 22 5.167 -3.781 6.088
144 HG1 THR 22 1HG THR 22 6.966 -2.731 6.540
145 1HG2 THR 22 1HG2 THR 22 6.784 -4.565 3.718
146 2HG2 THR 22 2HG2 THR 22 5.038 -4.808 3.702
147 3HG2 THR 22 3HG2 THR 22 6.024 -5.571 4.950
148 H TYR 23 H TYR 23 3.423 -1.960 2.583
149 HA TYR 23 HA TYR 23 0.968 -2.358 4.046
150 1HB TYR 23 2HB TYR 23 1.380 -1.854 1.102
151 2HB TYR 23 1HB TYR 23 -0.096 -1.601 2.029
152 HD1 TYR 23 1HD TYR 23 -0.062 0.142 3.882
153 HD2 TYR 23 2HD TYR 23 3.018 -0.181 0.966
154 HE1 TYR 23 1HE TYR 23 0.702 2.407 4.441
155 HE2 TYR 23 2HE TYR 23 3.786 2.085 1.517
156 HH TYR 23 HH TYR 23 2.362 3.915 4.177
157 H GLY 24 H GLY 24 -0.093 -4.188 4.233
158 1HA GLY 24 2HA GLY 24 0.686 -6.672 3.530
159 2HA GLY 24 1HA GLY 24 -1.008 -6.231 3.692
160 H ASN 25 H ASN 25 -0.730 -4.321 1.435
161 HA ASN 25 HA ASN 25 -0.019 -5.795 -0.890
162 1HB ASN 25 2HB ASN 25 -2.941 -5.665 -0.160
163 2HB ASN 25 1HB ASN 25 -2.386 -5.938 -1.807
164 1HD2 ASN 25 1HD2 ASN 25 -3.768 -7.534 0.449
165 2HD2 ASN 25 2HD2 ASN 25 -2.946 -9.048 0.408
166 H ALA 26 H ALA 26 -0.244 -4.601 -2.834
167 HA ALA 26 HA ALA 26 0.090 -1.866 -2.681
168 1HB ALA 26 1HB ALA 26 0.564 -2.180 -4.832
169 2HB ALA 26 2HB ALA 26 -1.148 -2.428 -5.179
170 3HB ALA 26 3HB ALA 26 -0.127 -3.800 -4.752
171 H CYS 27 H CYS 27 -2.787 -3.730 -2.589
172 HA CYS 27 HA CYS 27 -4.586 -1.540 -3.142
173 1HB CYS 27 2HB CYS 27 -4.820 -4.429 -2.735
174 2HB CYS 27 1HB CYS 27 -6.101 -3.507 -1.953
175 H MET 28 H MET 28 -3.679 -3.540 -0.353
176 HA MET 28 HA MET 28 -5.106 -2.237 1.639
177 1HB MET 28 2HB MET 28 -2.349 -3.439 1.585
178 2HB MET 28 1HB MET 28 -2.998 -2.732 3.045
179 1HG MET 28 2HG MET 28 -3.246 -5.261 2.665
180 2HG MET 28 1HG MET 28 -4.597 -4.336 3.316
181 1HE MET 28 1HE MET 28 -6.939 -6.471 1.380
182 2HE MET 28 2HE MET 28 -7.053 -4.999 2.346
183 3HE MET 28 3HE MET 28 -6.014 -6.322 2.874
184 H LEU 29 H LEU 29 -2.269 -1.449 -0.147
185 HA LEU 29 HA LEU 29 -1.352 0.838 1.137
186 1HB LEU 29 2HB LEU 29 -0.906 -0.570 -1.268
187 2HB LEU 29 1HB LEU 29 -1.211 1.092 -1.713
188 HG LEU 29 HG LEU 29 1.010 -0.033 -0.063
189 1HD1 LEU 29 1HD1 LEU 29 2.382 1.147 -1.568
190 2HD1 LEU 29 2HD1 LEU 29 1.043 2.152 -2.125
191 3HD1 LEU 29 3HD1 LEU 29 1.110 0.446 -2.568
192 1HD2 LEU 29 1HD2 LEU 29 1.506 2.462 0.406
193 2HD2 LEU 29 2HD2 LEU 29 0.318 1.635 1.410
194 3HD2 LEU 29 3HD2 LEU 29 -0.215 2.689 0.110
195 H LEU 30 H LEU 30 -3.560 0.428 -1.577
196 HA LEU 30 HA LEU 30 -4.309 3.052 -1.939
197 1HB LEU 30 2HB LEU 30 -5.658 0.424 -2.352
198 2HB LEU 30 1HB LEU 30 -6.644 1.868 -2.457
199 HG LEU 30 HG LEU 30 -4.170 1.349 -4.098
200 1HD1 LEU 30 1HD1 LEU 30 -5.407 0.260 -5.584
201 2HD1 LEU 30 2HD1 LEU 30 -6.651 1.511 -5.558
202 3HD1 LEU 30 3HD1 LEU 30 -6.691 0.203 -4.376
203 1HD2 LEU 30 1HD2 LEU 30 -5.033 3.759 -3.511
204 2HD2 LEU 30 2HD2 LEU 30 -6.235 3.395 -4.749
205 3HD2 LEU 30 3HD2 LEU 30 -4.518 3.357 -5.149
206 H CYS 31 H CYS 31 -5.219 0.728 0.545
207 HA CYS 31 HA CYS 31 -7.263 2.421 1.679
208 1HB CYS 31 2HB CYS 31 -6.128 -0.207 2.215
209 2HB CYS 31 1HB CYS 31 -6.351 0.714 3.699
210 H ALA 32 H ALA 32 -3.845 1.962 1.987
211 HA ALA 32 HA ALA 32 -3.432 3.411 4.379
212 1HB ALA 32 1HB ALA 32 -1.832 2.032 2.476
213 2HB ALA 32 2HB ALA 32 -1.394 2.571 4.096
214 3HB ALA 32 3HB ALA 32 -1.155 3.642 2.716
215 H SER 33 H SER 33 -2.745 4.305 1.004
216 HA SER 33 HA SER 33 -2.177 6.955 1.320
217 1HB SER 33 2HB SER 33 -3.262 5.310 -0.851
218 2HB SER 33 1HB SER 33 -3.756 7.000 -0.949
219 HG SER 33 HG SER 33 -1.585 7.595 -0.915
220 H ALA 34 H ALA 34 -5.265 5.355 1.561
221 HA ALA 34 HA ALA 34 -6.808 7.782 1.574
222 1HB ALA 34 1HB ALA 34 -8.400 6.324 1.091
223 2HB ALA 34 2HB ALA 34 -8.318 5.727 2.748
224 3HB ALA 34 3HB ALA 34 -7.338 4.974 1.491
225 H ARG 35 H ARG 35 -5.168 5.894 4.014
226 HA ARG 35 HA ARG 35 -6.066 7.838 6.014
227 1HB ARG 35 2HB ARG 35 -6.878 6.297 7.536
228 2HB ARG 35 1HB ARG 35 -7.439 5.632 6.009
229 1HG ARG 35 2HG ARG 35 -4.885 4.539 6.472
230 2HG ARG 35 1HG ARG 35 -5.773 4.436 7.993
231 1HD ARG 35 2HD ARG 35 -6.973 3.566 5.380
232 2HD ARG 35 1HD ARG 35 -5.986 2.484 6.361
233 HE ARG 35 HE ARG 35 -8.238 3.768 7.684
234 1HH1 ARG 35 1HH1 ARG 35 -6.955 0.921 6.128
235 2HH1 ARG 35 2HH1 ARG 35 -8.127 -0.143 6.830
236 1HH2 ARG 35 1HH2 ARG 35 -9.782 2.371 8.607
237 2HH2 ARG 35 2HH2 ARG 35 -9.734 0.680 8.236
238 H SER 36 H SER 36 -3.520 7.629 4.736
239 HA SER 36 HA SER 36 -1.829 6.607 6.907
240 1HB SER 36 2HB SER 36 -1.522 5.765 4.519
241 2HB SER 36 1HB SER 36 -0.882 7.360 4.144
242 HG SER 36 HG SER 36 0.341 6.559 6.328
243 H ASP 37 H ASP 37 -1.184 9.105 4.474
244 HA ASP 37 HA ASP 37 -1.411 11.335 6.110
245 1HB ASP 37 2HB ASP 37 0.527 9.994 7.236
246 2HB ASP 37 1HB ASP 37 1.492 10.617 5.901
247 H THR 38 H THR 38 0.794 9.928 3.712
248 HA THR 38 HA THR 38 0.174 12.174 1.931
249 HB THR 38 HB THR 38 2.801 11.563 1.318
250 HG1 THR 38 1HG THR 38 2.435 11.532 4.125
251 1HG2 THR 38 1HG2 THR 38 3.271 13.732 1.787
252 2HG2 THR 38 2HG2 THR 38 2.329 13.733 3.277
253 3HG2 THR 38 3HG2 THR 38 1.511 13.822 1.717
254 HA PRO 39 HA PRO 39 -0.228 9.277 -1.346
255 1HB PRO 39 2HB PRO 39 1.271 10.341 -3.370
256 2HB PRO 39 1HB PRO 39 -0.304 10.977 -2.883
257 1HG PRO 39 2HG PRO 39 2.436 11.942 -2.158
258 2HG PRO 39 1HG PRO 39 1.002 12.882 -2.613
259 1HD PRO 39 2HD PRO 39 1.769 12.607 -0.046
260 2HD PRO 39 1HD PRO 39 0.057 12.695 -0.510
261 H ILE 40 H ILE 40 0.894 7.548 -0.284
262 HA ILE 40 HA ILE 40 3.666 7.141 -0.355
263 HB ILE 40 HB ILE 40 3.124 4.773 0.078
264 1HG1 ILE 40 2HG1 ILE 40 0.705 5.504 -1.246
265 2HG1 ILE 40 1HG1 ILE 40 1.210 3.910 -0.707
266 1HG2 ILE 40 1HG2 ILE 40 1.842 5.167 2.177
267 2HG2 ILE 40 2HG2 ILE 40 1.545 6.817 1.632
268 3HG2 ILE 40 3HG2 ILE 40 3.192 6.277 1.948
269 1HD1 ILE 40 1HD1 ILE 40 0.144 4.229 1.413
270 2HD1 ILE 40 2HD1 ILE 40 -1.007 4.611 0.133
271 3HD1 ILE 40 3HD1 ILE 40 -0.216 5.911 1.025
272 H GLU 41 H GLU 41 4.928 5.708 -1.664
273 HA GLU 41 HA GLU 41 3.740 4.933 -4.238
274 1HB GLU 41 2HB GLU 41 5.837 6.967 -3.825
275 2HB GLU 41 1HB GLU 41 6.168 5.795 -5.094
276 1HG GLU 41 2HG GLU 41 3.916 6.341 -6.051
277 2HG GLU 41 1HG GLU 41 3.821 7.661 -4.885
278 H LEU 42 H LEU 42 3.966 2.776 -4.082
279 HA LEU 42 HA LEU 42 5.512 1.118 -2.763
280 1HB LEU 42 2HB LEU 42 4.311 0.995 -5.343
281 2HB LEU 42 1HB LEU 42 5.834 0.144 -5.378
282 HG LEU 42 HG LEU 42 3.948 -1.349 -4.885
283 1HD1 LEU 42 1HD1 LEU 42 5.391 -2.579 -3.750
284 2HD1 LEU 42 2HD1 LEU 42 5.145 -1.595 -2.308
285 3HD1 LEU 42 3HD1 LEU 42 6.377 -1.143 -3.485
286 1HD2 LEU 42 1HD2 LEU 42 3.026 0.734 -3.342
287 2HD2 LEU 42 2HD2 LEU 42 3.558 -0.454 -2.152
288 3HD2 LEU 42 3HD2 LEU 42 2.373 -0.903 -3.378
289 H VAL 43 H VAL 43 7.525 0.149 -2.826
290 HA VAL 43 HA VAL 43 9.542 1.315 -4.590
291 HB VAL 43 HB VAL 43 9.621 2.675 -2.557
292 1HG1 VAL 43 1HG1 VAL 43 10.600 1.471 -0.496
293 2HG1 VAL 43 2HG1 VAL 43 9.932 0.015 -1.230
294 3HG1 VAL 43 3HG1 VAL 43 8.869 1.357 -0.811
295 1HG2 VAL 43 1HG2 VAL 43 12.055 2.236 -2.011
296 2HG2 VAL 43 2HG2 VAL 43 11.664 2.503 -3.709
297 3HG2 VAL 43 3HG2 VAL 43 11.951 0.867 -3.118
298 H HIS 44 H HIS 44 8.739 -1.138 -2.184
299 HA HIS 44 HA HIS 44 10.132 -3.121 -3.749
300 1HB HIS 44 2HB HIS 44 10.939 -3.753 -1.127
301 2HB HIS 44 1HB HIS 44 11.962 -3.298 -2.483
302 HD1 HIS 44 1HD HIS 44 12.684 -0.783 -2.617
303 HD2 HIS 44 2HD HIS 44 10.673 -1.861 0.854
304 HE1 HIS 44 1HE HIS 44 13.103 1.085 -0.995
305 HE2 HIS 44 2HE HIS 44 11.724 0.503 1.024
306 H LYS 45 H LYS 45 8.779 -4.763 -3.929
307 HA LYS 45 HA LYS 45 6.463 -4.995 -2.305
308 1HB LYS 45 2HB LYS 45 5.993 -7.018 -3.598
309 2HB LYS 45 1HB LYS 45 6.465 -5.688 -4.645
310 1HG LYS 45 2HG LYS 45 8.783 -6.663 -4.660
311 2HG LYS 45 1HG LYS 45 8.105 -8.076 -3.850
312 1HD LYS 45 2HD LYS 45 6.437 -8.187 -5.765
313 2HD LYS 45 1HD LYS 45 7.466 -7.016 -6.590
314 1HE LYS 45 2HE LYS 45 8.892 -8.607 -7.201
315 2HE LYS 45 1HE LYS 45 9.048 -9.176 -5.540
316 1HZ LYS 45 1HZ LYS 45 6.668 -10.167 -6.168
317 2HZ LYS 45 2HZ LYS 45 8.112 -11.012 -6.414
318 3HZ LYS 45 3HZ LYS 45 7.386 -10.186 -7.700
319 H GLY 46 H GLY 46 7.828 -5.020 -0.275
320 1HA GLY 46 2HA GLY 46 7.630 -7.512 0.974
321 2HA GLY 46 1HA GLY 46 9.311 -7.269 0.507
322 H ARG 47 H ARG 47 9.431 -7.397 2.981
323 HA ARG 47 HA ARG 47 8.593 -4.997 4.344
324 1HB ARG 47 2HB ARG 47 10.390 -7.205 5.360
325 2HB ARG 47 1HB ARG 47 9.567 -5.988 6.329
326 1HG ARG 47 2HG ARG 47 7.423 -6.923 5.778
327 2HG ARG 47 1HG ARG 47 8.170 -8.064 4.657
328 1HD ARG 47 2HD ARG 47 7.521 -8.793 7.099
329 2HD ARG 47 1HD ARG 47 8.995 -9.385 6.333
330 HE ARG 47 HE ARG 47 10.249 -8.105 7.796
331 1HH1 ARG 47 1HH1 ARG 47 6.863 -7.370 8.125
332 2HH1 ARG 47 2HH1 ARG 47 7.067 -6.469 9.591
333 1HH2 ARG 47 1HH2 ARG 47 10.534 -6.923 9.724
334 2HH2 ARG 47 2HH2 ARG 47 9.156 -6.215 10.502
335 H CYS 48 H CYS 48 9.962 -3.996 2.433
336 HA CYS 48 HA CYS 48 11.845 -2.883 1.755
337 1HB CYS 48 2HB CYS 48 11.378 -2.262 4.629
338 2HB CYS 48 1HB CYS 48 12.794 -1.577 3.840
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 -6.719 6.976 -12.912
2 2H LYS 1 2HT LYS 1 -7.926 6.621 -11.745
3 3H LYS 1 3HT LYS 1 -6.913 5.372 -12.343
4 HA LYS 1 HA LYS 1 -5.241 5.886 -11.038
5 1HB LYS 1 2HB LYS 1 -5.627 8.352 -12.246
6 2HB LYS 1 1HB LYS 1 -5.750 8.717 -10.531
7 1HG LYS 1 2HG LYS 1 -3.572 7.650 -10.162
8 2HG LYS 1 1HG LYS 1 -3.446 7.339 -11.894
9 1HD LYS 1 2HD LYS 1 -4.053 10.063 -11.649
10 2HD LYS 1 1HD LYS 1 -2.835 9.732 -10.417
11 1HE LYS 1 2HE LYS 1 -1.384 10.044 -12.105
12 2HE LYS 1 1HE LYS 1 -1.805 8.384 -12.526
13 1HZ LYS 1 1HZ LYS 1 -3.724 10.051 -13.665
14 2HZ LYS 1 2HZ LYS 1 -2.552 9.125 -14.457
15 3HZ LYS 1 3HZ LYS 1 -2.214 10.725 -14.024
16 HA PRO 2 HA PRO 2 -8.555 5.811 -7.782
17 1HB PRO 2 2HB PRO 2 -7.841 3.390 -6.777
18 2HB PRO 2 1HB PRO 2 -8.954 3.577 -8.136
19 1HG PRO 2 2HG PRO 2 -6.034 2.922 -8.155
20 2HG PRO 2 1HG PRO 2 -7.347 2.214 -9.114
21 1HD PRO 2 2HD PRO 2 -5.659 4.083 -10.109
22 2HD PRO 2 1HD PRO 2 -7.356 3.962 -10.621
23 H ASP 3 H ASP 3 -8.206 5.305 -5.370
24 HA ASP 3 HA ASP 3 -5.677 5.268 -4.192
25 1HB ASP 3 2HB ASP 3 -5.227 7.532 -3.628
26 2HB ASP 3 1HB ASP 3 -5.564 7.524 -5.356
27 H ALA 4 H ALA 4 -7.889 3.939 -3.522
28 HA ALA 4 HA ALA 4 -8.348 4.785 -0.822
29 1HB ALA 4 1HB ALA 4 -10.157 6.017 -1.271
30 2HB ALA 4 2HB ALA 4 -10.969 4.467 -1.494
31 3HB ALA 4 3HB ALA 4 -10.335 5.339 -2.890
32 HA PRO 5 HA PRO 5 -10.688 0.578 -1.493
33 1HB PRO 5 2HB PRO 5 -10.446 -0.413 -4.071
34 2HB PRO 5 1HB PRO 5 -11.873 0.406 -3.430
35 1HG PRO 5 2HG PRO 5 -9.663 1.491 -5.120
36 2HG PRO 5 1HG PRO 5 -11.401 1.836 -5.186
37 1HD PRO 5 2HD PRO 5 -9.666 3.557 -4.076
38 2HD PRO 5 1HD PRO 5 -11.299 3.328 -3.413
39 H CYS 6 H CYS 6 -9.704 -1.392 -1.136
40 HA CYS 6 HA CYS 6 -7.007 -1.793 -2.199
41 1HB CYS 6 2HB CYS 6 -6.231 -2.448 0.099
42 2HB CYS 6 1HB CYS 6 -6.580 -0.734 -0.095
43 H ILE 7 H ILE 7 -8.224 -3.378 -3.469
44 HA ILE 7 HA ILE 7 -8.491 -5.893 -1.976
45 HB ILE 7 HB ILE 7 -10.362 -4.983 -4.155
46 1HG1 ILE 7 2HG1 ILE 7 -11.760 -5.583 -1.783
47 2HG1 ILE 7 1HG1 ILE 7 -10.393 -4.584 -1.297
48 1HG2 ILE 7 1HG2 ILE 7 -10.250 -7.283 -4.396
49 2HG2 ILE 7 2HG2 ILE 7 -11.594 -7.098 -3.268
50 3HG2 ILE 7 3HG2 ILE 7 -9.996 -7.553 -2.672
51 1HD1 ILE 7 1HD1 ILE 7 -11.469 -3.366 -3.577
52 2HD1 ILE 7 2HD1 ILE 7 -11.553 -2.807 -1.906
53 3HD1 ILE 7 3HD1 ILE 7 -12.839 -3.821 -2.563
54 H CYS 8 H CYS 8 -6.182 -5.686 -3.012
55 HA CYS 8 HA CYS 8 -6.129 -6.505 -5.802
56 1HB CYS 8 2HB CYS 8 -4.031 -5.807 -3.762
57 2HB CYS 8 1HB CYS 8 -3.602 -6.569 -5.284
58 H THR 9 H THR 9 -5.616 -7.761 -2.607
59 HA THR 9 HA THR 9 -6.041 -10.449 -3.390
60 HB THR 9 HB THR 9 -3.862 -10.629 -4.098
61 HG1 THR 9 1HG THR 9 -3.126 -11.074 -1.470
62 1HG2 THR 9 1HG2 THR 9 -2.661 -9.152 -1.814
63 2HG2 THR 9 2HG2 THR 9 -3.278 -8.278 -3.215
64 3HG2 THR 9 3HG2 THR 9 -1.997 -9.472 -3.416
65 H MET 10 H MET 10 -6.884 -11.503 -1.693
66 HA MET 10 HA MET 10 -6.841 -10.188 0.887
67 1HB MET 10 2HB MET 10 -8.316 -12.646 -0.075
68 2HB MET 10 1HB MET 10 -8.526 -11.891 1.494
69 1HG MET 10 2HG MET 10 -8.858 -10.029 -0.711
70 2HG MET 10 1HG MET 10 -9.996 -11.374 -0.761
71 1HE MET 10 1HE MET 10 -10.527 -12.307 1.653
72 2HE MET 10 2HE MET 10 -11.865 -11.383 2.337
73 3HE MET 10 3HE MET 10 -10.278 -11.335 3.105
74 H GLN 11 H GLN 11 -4.536 -11.704 -0.401
75 HA GLN 11 HA GLN 11 -4.140 -13.847 1.542
76 1HB GLN 11 2HB GLN 11 -2.805 -13.037 -1.010
77 2HB GLN 11 1HB GLN 11 -1.922 -14.027 0.145
78 1HG GLN 11 2HG GLN 11 -2.849 -15.752 -0.912
79 2HG GLN 11 1HG GLN 11 -4.305 -15.340 -0.007
80 1HE2 GLN 11 1HE2 GLN 11 -3.122 -15.990 -2.996
81 2HE2 GLN 11 2HE2 GLN 11 -4.338 -15.235 -3.963
82 H TYR 12 H TYR 12 -1.340 -12.184 0.369
83 HA TYR 12 HA TYR 12 -1.007 -10.244 2.332
84 1HB TYR 12 2HB TYR 12 -0.963 -12.634 3.583
85 2HB TYR 12 1HB TYR 12 0.741 -12.480 3.167
86 HD1 TYR 12 1HD TYR 12 0.511 -9.313 3.350
87 HD2 TYR 12 2HD TYR 12 -0.401 -12.533 5.976
88 HE1 TYR 12 1HE TYR 12 0.848 -7.826 5.280
89 HE2 TYR 12 2HE TYR 12 -0.069 -11.055 7.914
90 HH TYR 12 HH TYR 12 0.383 -8.994 8.604
91 H ASP 13 H ASP 13 -0.197 -9.336 0.369
92 HA ASP 13 HA ASP 13 2.516 -10.234 -0.346
93 1HB ASP 13 2HB ASP 13 0.317 -9.639 -1.984
94 2HB ASP 13 1HB ASP 13 1.384 -8.245 -2.132
95 HA PRO 14 HA PRO 14 2.714 -6.363 2.267
96 1HB PRO 14 2HB PRO 14 5.149 -7.153 3.343
97 2HB PRO 14 1HB PRO 14 3.567 -7.369 4.096
98 1HG PRO 14 2HG PRO 14 5.204 -9.308 2.528
99 2HG PRO 14 1HG PRO 14 4.194 -9.587 3.959
100 1HD PRO 14 2HD PRO 14 3.361 -10.280 1.505
101 2HD PRO 14 1HD PRO 14 2.231 -9.637 2.715
102 H VAL 15 H VAL 15 3.153 -4.876 0.732
103 HA VAL 15 HA VAL 15 5.799 -4.906 -0.532
104 HB VAL 15 HB VAL 15 4.826 -3.394 -2.185
105 1HG1 VAL 15 1HG1 VAL 15 3.848 -5.032 -3.439
106 2HG1 VAL 15 2HG1 VAL 15 2.857 -5.610 -2.100
107 3HG1 VAL 15 3HG1 VAL 15 4.570 -6.022 -2.170
108 1HG2 VAL 15 1HG2 VAL 15 2.282 -3.750 -0.621
109 2HG2 VAL 15 2HG2 VAL 15 2.384 -3.006 -2.217
110 3HG2 VAL 15 3HG2 VAL 15 3.191 -2.255 -0.840
111 H CYS 16 H CYS 16 7.167 -3.356 -0.174
112 HA CYS 16 HA CYS 16 6.669 -1.453 1.902
113 1HB CYS 16 2HB CYS 16 8.879 -2.763 0.806
114 2HB CYS 16 1HB CYS 16 9.135 -1.061 0.502
115 H GLY 17 H GLY 17 5.858 0.528 1.630
116 1HA GLY 17 2HA GLY 17 5.961 1.650 -1.075
117 2HA GLY 17 1HA GLY 17 4.723 2.018 0.106
118 H SER 18 H SER 18 6.662 3.590 -1.507
119 HA SER 18 HA SER 18 8.689 4.740 -0.097
120 1HB SER 18 2HB SER 18 6.788 5.953 -2.102
121 2HB SER 18 1HB SER 18 8.182 6.826 -1.465
122 HG SER 18 HG SER 18 8.256 5.348 -3.514
123 H ASP 19 H ASP 19 8.388 5.016 1.962
124 HA ASP 19 HA ASP 19 7.573 7.374 3.057
125 1HB ASP 19 2HB ASP 19 5.292 5.787 2.396
126 2HB ASP 19 1HB ASP 19 5.434 5.825 4.151
127 H GLY 20 H GLY 20 7.968 3.956 3.285
128 1HA GLY 20 2HA GLY 20 9.606 3.054 4.783
129 2HA GLY 20 1HA GLY 20 9.149 4.287 5.952
130 H ILE 21 H ILE 21 6.841 2.388 4.062
131 HA ILE 21 HA ILE 21 6.238 0.869 6.514
132 HB ILE 21 HB ILE 21 4.231 2.406 4.882
133 1HG1 ILE 21 2HG1 ILE 21 5.627 3.541 6.718
134 2HG1 ILE 21 1HG1 ILE 21 3.877 3.712 6.814
135 1HG2 ILE 21 1HG2 ILE 21 3.937 0.035 6.571
136 2HG2 ILE 21 2HG2 ILE 21 2.852 0.701 5.352
137 3HG2 ILE 21 3HG2 ILE 21 2.850 1.358 6.988
138 1HD1 ILE 21 1HD1 ILE 21 4.589 1.388 8.257
139 2HD1 ILE 21 2HD1 ILE 21 3.931 2.907 8.869
140 3HD1 ILE 21 3HD1 ILE 21 5.677 2.686 8.749
141 H THR 22 H THR 22 5.641 -1.197 6.255
142 HA THR 22 HA THR 22 5.612 -2.250 3.529
143 HB THR 22 HB THR 22 5.462 -4.070 5.878
144 HG1 THR 22 1HG THR 22 7.468 -2.218 5.489
145 1HG2 THR 22 1HG2 THR 22 7.262 -4.149 3.478
146 2HG2 THR 22 2HG2 THR 22 5.655 -4.875 3.530
147 3HG2 THR 22 3HG2 THR 22 6.918 -5.449 4.618
148 H TYR 23 H TYR 23 3.648 -2.035 2.696
149 HA TYR 23 HA TYR 23 1.256 -2.456 4.256
150 1HB TYR 23 2HB TYR 23 1.567 -1.928 1.302
151 2HB TYR 23 1HB TYR 23 0.117 -1.693 2.276
152 HD1 TYR 23 1HD TYR 23 3.295 -0.308 1.251
153 HD2 TYR 23 2HD TYR 23 0.106 0.091 4.039
154 HE1 TYR 23 1HE TYR 23 4.085 1.945 1.818
155 HE2 TYR 23 2HE TYR 23 0.879 2.355 4.600
156 HH TYR 23 HH TYR 23 2.837 3.710 4.502
157 H GLY 24 H GLY 24 0.138 -4.276 4.404
158 1HA GLY 24 2HA GLY 24 0.992 -6.754 3.706
159 2HA GLY 24 1HA GLY 24 -0.709 -6.355 3.887
160 H ASN 25 H ASN 25 -0.616 -4.447 1.695
161 HA ASN 25 HA ASN 25 0.091 -5.915 -0.653
162 1HB ASN 25 2HB ASN 25 -2.728 -5.387 -0.969
163 2HB ASN 25 1HB ASN 25 -1.853 -6.893 -1.198
164 1HD2 ASN 25 1HD2 ASN 25 -3.808 -7.878 -0.420
165 2HD2 ASN 25 2HD2 ASN 25 -4.088 -8.005 1.278
166 H ALA 26 H ALA 26 0.100 -4.665 -2.494
167 HA ALA 26 HA ALA 26 0.501 -1.949 -2.286
168 1HB ALA 26 1HB ALA 26 1.008 -2.093 -4.456
169 2HB ALA 26 2HB ALA 26 -0.611 -2.655 -4.876
170 3HB ALA 26 3HB ALA 26 0.608 -3.807 -4.330
171 H CYS 27 H CYS 27 -2.430 -3.704 -2.452
172 HA CYS 27 HA CYS 27 -4.095 -1.464 -3.147
173 1HB CYS 27 2HB CYS 27 -4.471 -4.340 -2.701
174 2HB CYS 27 1HB CYS 27 -5.793 -3.342 -2.110
175 H MET 28 H MET 28 -3.472 -3.452 -0.252
176 HA MET 28 HA MET 28 -5.041 -2.087 1.578
177 1HB MET 28 2HB MET 28 -2.321 -3.364 1.804
178 2HB MET 28 1HB MET 28 -3.031 -2.529 3.169
179 1HG MET 28 2HG MET 28 -5.084 -3.993 2.810
180 2HG MET 28 1HG MET 28 -4.035 -4.989 1.810
181 1HE MET 28 1HE MET 28 -4.876 -5.355 6.007
182 2HE MET 28 2HE MET 28 -5.228 -6.558 4.767
183 3HE MET 28 3HE MET 28 -5.775 -4.895 4.562
184 H LEU 29 H LEU 29 -2.087 -1.343 -0.010
185 HA LEU 29 HA LEU 29 -1.257 0.955 1.323
186 1HB LEU 29 2HB LEU 29 -0.616 -0.507 -1.004
187 2HB LEU 29 1HB LEU 29 -0.865 1.144 -1.513
188 HG LEU 29 HG LEU 29 1.197 0.024 0.319
189 1HD1 LEU 29 1HD1 LEU 29 1.583 0.461 -2.119
190 2HD1 LEU 29 2HD1 LEU 29 2.678 1.324 -1.038
191 3HD1 LEU 29 3HD1 LEU 29 1.328 2.174 -1.789
192 1HD2 LEU 29 1HD2 LEU 29 -0.006 2.764 0.404
193 2HD2 LEU 29 2HD2 LEU 29 1.678 2.509 0.852
194 3HD2 LEU 29 3HD2 LEU 29 0.393 1.696 1.740
195 H LEU 30 H LEU 30 -3.175 0.538 -1.598
196 HA LEU 30 HA LEU 30 -3.879 3.156 -2.067
197 1HB LEU 30 2HB LEU 30 -5.217 0.521 -2.531
198 2HB LEU 30 1HB LEU 30 -6.143 1.984 -2.810
199 HG LEU 30 HG LEU 30 -3.467 1.566 -4.105
200 1HD1 LEU 30 1HD1 LEU 30 -6.045 0.870 -5.460
201 2HD1 LEU 30 2HD1 LEU 30 -5.160 -0.332 -4.520
202 3HD1 LEU 30 3HD1 LEU 30 -4.396 0.439 -5.911
203 1HD2 LEU 30 1HD2 LEU 30 -5.827 3.360 -4.518
204 2HD2 LEU 30 2HD2 LEU 30 -4.722 3.013 -5.848
205 3HD2 LEU 30 3HD2 LEU 30 -4.119 3.775 -4.375
206 H CYS 31 H CYS 31 -5.001 0.878 0.335
207 HA CYS 31 HA CYS 31 -7.168 2.549 1.253
208 1HB CYS 31 2HB CYS 31 -6.010 -0.064 1.973
209 2HB CYS 31 1HB CYS 31 -6.627 0.855 3.342
210 H ALA 32 H ALA 32 -3.805 2.051 1.941
211 HA ALA 32 HA ALA 32 -3.629 3.449 4.386
212 1HB ALA 32 1HB ALA 32 -1.772 2.151 4.037
213 2HB ALA 32 2HB ALA 32 -1.162 3.721 3.513
214 3HB ALA 32 3HB ALA 32 -1.695 2.538 2.318
215 H SER 33 H SER 33 -2.686 4.417 1.088
216 HA SER 33 HA SER 33 -2.115 7.071 1.575
217 1HB SER 33 2HB SER 33 -2.702 5.450 -0.735
218 2HB SER 33 1HB SER 33 -3.481 7.024 -0.901
219 HG SER 33 HG SER 33 -1.584 7.952 -1.064
220 H ALA 34 H ALA 34 -5.223 5.491 1.226
221 HA ALA 34 HA ALA 34 -6.657 8.024 1.341
222 1HB ALA 34 1HB ALA 34 -8.620 6.209 1.419
223 2HB ALA 34 2HB ALA 34 -7.344 5.230 0.695
224 3HB ALA 34 3HB ALA 34 -7.847 6.734 -0.076
225 H ARG 35 H ARG 35 -5.322 5.980 3.613
226 HA ARG 35 HA ARG 35 -7.454 6.453 5.568
227 1HB ARG 35 2HB ARG 35 -5.590 4.318 5.153
228 2HB ARG 35 1HB ARG 35 -5.350 4.988 6.757
229 1HG ARG 35 2HG ARG 35 -7.122 3.899 7.502
230 2HG ARG 35 1HG ARG 35 -8.145 4.708 6.313
231 1HD ARG 35 2HD ARG 35 -7.571 3.005 4.657
232 2HD ARG 35 1HD ARG 35 -6.532 2.204 5.835
233 HE ARG 35 HE ARG 35 -9.399 2.059 5.668
234 1HH1 ARG 35 1HH1 ARG 35 -6.635 1.753 7.772
235 2HH1 ARG 35 2HH1 ARG 35 -7.435 0.688 8.880
236 1HH2 ARG 35 1HH2 ARG 35 -10.458 0.655 7.123
237 2HH2 ARG 35 2HH2 ARG 35 -9.608 0.065 8.512
238 H SER 36 H SER 36 -3.937 6.842 5.240
239 HA SER 36 HA SER 36 -3.798 8.432 7.634
240 1HB SER 36 2HB SER 36 -1.942 6.968 7.087
241 2HB SER 36 1HB SER 36 -1.709 7.786 5.543
242 HG SER 36 HG SER 36 -0.383 8.984 6.651
243 H ASP 37 H ASP 37 -1.932 9.515 4.921
244 HA ASP 37 HA ASP 37 -3.561 11.538 3.915
245 1HB ASP 37 2HB ASP 37 -3.258 12.240 6.401
246 2HB ASP 37 1HB ASP 37 -1.638 12.717 5.902
247 H THR 38 H THR 38 -0.369 10.365 4.681
248 HA THR 38 HA THR 38 0.983 12.057 2.791
249 HB THR 38 HB THR 38 2.550 9.764 3.427
250 HG1 THR 38 1HG THR 38 1.427 9.249 5.187
251 1HG2 THR 38 1HG2 THR 38 3.430 12.027 3.119
252 2HG2 THR 38 2HG2 THR 38 3.935 11.316 4.651
253 3HG2 THR 38 3HG2 THR 38 2.650 12.523 4.620
254 HA PRO 39 HA PRO 39 0.137 9.532 -0.756
255 1HB PRO 39 2HB PRO 39 1.765 10.793 -2.496
256 2HB PRO 39 1HB PRO 39 0.264 11.524 -1.915
257 1HG PRO 39 2HG PRO 39 3.078 12.007 -1.018
258 2HG PRO 39 1HG PRO 39 1.780 13.179 -1.311
259 1HD PRO 39 2HD PRO 39 2.467 12.291 1.176
260 2HD PRO 39 1HD PRO 39 0.830 12.827 0.750
261 H ILE 40 H ILE 40 1.120 7.597 0.121
262 HA ILE 40 HA ILE 40 3.926 7.135 -0.021
263 HB ILE 40 HB ILE 40 3.353 4.798 0.420
264 1HG1 ILE 40 2HG1 ILE 40 0.932 5.541 -0.869
265 2HG1 ILE 40 1HG1 ILE 40 1.420 3.945 -0.323
266 1HG2 ILE 40 1HG2 ILE 40 2.071 5.162 2.541
267 2HG2 ILE 40 2HG2 ILE 40 1.836 6.837 2.038
268 3HG2 ILE 40 3HG2 ILE 40 3.464 6.224 2.331
269 1HD1 ILE 40 1HD1 ILE 40 0.440 4.445 1.886
270 2HD1 ILE 40 2HD1 ILE 40 -0.739 4.498 0.575
271 3HD1 ILE 40 3HD1 ILE 40 -0.111 5.998 1.257
272 H GLU 41 H GLU 41 4.999 5.616 -1.441
273 HA GLU 41 HA GLU 41 3.617 4.951 -3.927
274 1HB GLU 41 2HB GLU 41 5.610 7.070 -3.673
275 2HB GLU 41 1HB GLU 41 6.039 5.871 -4.886
276 1HG GLU 41 2HG GLU 41 3.400 6.325 -5.425
277 2HG GLU 41 1HG GLU 41 3.963 7.917 -4.918
278 H LEU 42 H LEU 42 3.872 2.811 -3.841
279 HA LEU 42 HA LEU 42 5.493 1.147 -2.651
280 1HB LEU 42 2HB LEU 42 4.078 1.017 -5.079
281 2HB LEU 42 1HB LEU 42 5.627 0.254 -5.333
282 HG LEU 42 HG LEU 42 3.648 -1.204 -4.551
283 1HD1 LEU 42 1HD1 LEU 42 5.860 -1.703 -2.698
284 2HD1 LEU 42 2HD1 LEU 42 6.350 -1.466 -4.376
285 3HD1 LEU 42 3HD1 LEU 42 5.185 -2.726 -3.967
286 1HD2 LEU 42 1HD2 LEU 42 3.633 0.657 -2.489
287 2HD2 LEU 42 2HD2 LEU 42 4.364 -0.783 -1.780
288 3HD2 LEU 42 3HD2 LEU 42 2.772 -0.882 -2.532
289 H VAL 43 H VAL 43 7.472 0.172 -2.826
290 HA VAL 43 HA VAL 43 9.452 1.424 -4.598
291 HB VAL 43 HB VAL 43 10.247 0.818 -1.786
292 1HG1 VAL 43 1HG1 VAL 43 11.172 2.894 -3.770
293 2HG1 VAL 43 2HG1 VAL 43 11.945 1.333 -3.492
294 3HG1 VAL 43 3HG1 VAL 43 11.909 2.541 -2.207
295 1HG2 VAL 43 1HG2 VAL 43 8.614 2.233 -1.109
296 2HG2 VAL 43 2HG2 VAL 43 8.533 3.062 -2.664
297 3HG2 VAL 43 3HG2 VAL 43 9.840 3.426 -1.537
298 H HIS 44 H HIS 44 8.610 -1.244 -2.458
299 HA HIS 44 HA HIS 44 9.990 -3.083 -4.182
300 1HB HIS 44 2HB HIS 44 10.824 -3.834 -1.571
301 2HB HIS 44 1HB HIS 44 11.825 -3.398 -2.951
302 HD1 HIS 44 1HD HIS 44 12.432 -0.794 -3.152
303 HD2 HIS 44 2HD HIS 44 10.792 -2.017 0.462
304 HE1 HIS 44 1HE HIS 44 12.879 1.086 -1.542
305 HE2 HIS 44 2HE HIS 44 11.866 0.333 0.635
306 H LYS 45 H LYS 45 8.784 -4.835 -4.397
307 HA LYS 45 HA LYS 45 6.406 -5.180 -2.877
308 1HB LYS 45 2HB LYS 45 7.719 -6.572 -5.145
309 2HB LYS 45 1HB LYS 45 6.568 -7.508 -4.203
310 1HG LYS 45 2HG LYS 45 4.811 -6.422 -5.052
311 2HG LYS 45 1HG LYS 45 5.603 -4.849 -4.928
312 1HD LYS 45 2HD LYS 45 5.890 -4.878 -7.133
313 2HD LYS 45 1HD LYS 45 6.974 -6.257 -6.934
314 1HE LYS 45 2HE LYS 45 3.983 -6.415 -7.282
315 2HE LYS 45 1HE LYS 45 5.175 -6.708 -8.547
316 1HZ LYS 45 1HZ LYS 45 4.328 -8.756 -7.504
317 2HZ LYS 45 2HZ LYS 45 4.990 -8.267 -6.027
318 3HZ LYS 45 3HZ LYS 45 6.004 -8.589 -7.343
319 H GLY 46 H GLY 46 7.922 -5.206 -0.830
320 1HA GLY 46 2HA GLY 46 7.630 -7.735 0.362
321 2HA GLY 46 1HA GLY 46 9.314 -7.525 -0.106
322 H ARG 47 H ARG 47 9.703 -7.658 2.243
323 HA ARG 47 HA ARG 47 8.837 -5.350 3.781
324 1HB ARG 47 2HB ARG 47 10.750 -7.477 4.722
325 2HB ARG 47 1HB ARG 47 9.713 -6.439 5.691
326 1HG ARG 47 2HG ARG 47 7.748 -7.621 4.653
327 2HG ARG 47 1HG ARG 47 8.904 -8.770 3.976
328 1HD ARG 47 2HD ARG 47 9.295 -8.290 6.823
329 2HD ARG 47 1HD ARG 47 7.703 -8.947 6.446
330 HE ARG 47 HE ARG 47 9.232 -10.610 5.075
331 1HH1 ARG 47 1HH1 ARG 47 9.656 -9.361 8.301
332 2HH1 ARG 47 2HH1 ARG 47 10.512 -10.756 8.866
333 1HH2 ARG 47 1HH2 ARG 47 10.355 -12.450 5.812
334 2HH2 ARG 47 2HH2 ARG 47 10.908 -12.512 7.453
335 H CYS 48 H CYS 48 10.158 -4.259 1.864
336 HA CYS 48 HA CYS 48 12.011 -3.097 1.195
337 1HB CYS 48 2HB CYS 48 11.687 -2.694 4.121
338 2HB CYS 48 1HB CYS 48 13.109 -2.000 3.344
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 -15.353 11.913 -6.360
2 2H LYS 1 2HT LYS 1 -15.866 10.281 -6.232
3 3H LYS 1 3HT LYS 1 -14.922 10.783 -7.574
4 HA LYS 1 HA LYS 1 -13.028 10.772 -6.457
5 1HB LYS 1 2HB LYS 1 -12.871 11.283 -4.058
6 2HB LYS 1 1HB LYS 1 -13.757 12.531 -4.924
7 1HG LYS 1 2HG LYS 1 -15.709 10.741 -4.090
8 2HG LYS 1 1HG LYS 1 -14.594 10.859 -2.728
9 1HD LYS 1 2HD LYS 1 -15.956 13.154 -4.136
10 2HD LYS 1 1HD LYS 1 -16.339 12.534 -2.530
11 1HE LYS 1 2HE LYS 1 -14.928 14.084 -1.764
12 2HE LYS 1 1HE LYS 1 -13.643 13.038 -2.367
13 1HZ LYS 1 1HZ LYS 1 -14.237 15.624 -3.174
14 2HZ LYS 1 2HZ LYS 1 -14.652 14.623 -4.473
15 3HZ LYS 1 3HZ LYS 1 -13.085 14.578 -3.838
16 HA PRO 2 HA PRO 2 -14.258 6.373 -5.845
17 1HB PRO 2 2HB PRO 2 -11.547 6.049 -6.993
18 2HB PRO 2 1HB PRO 2 -13.067 5.284 -7.467
19 1HG PRO 2 2HG PRO 2 -11.957 7.197 -8.966
20 2HG PRO 2 1HG PRO 2 -13.715 7.079 -8.776
21 1HD PRO 2 2HD PRO 2 -11.790 8.963 -7.475
22 2HD PRO 2 1HD PRO 2 -13.430 9.269 -8.086
23 H ASP 3 H ASP 3 -12.361 4.570 -5.197
24 HA ASP 3 HA ASP 3 -10.349 5.341 -3.430
25 1HB ASP 3 2HB ASP 3 -12.726 5.977 -2.288
26 2HB ASP 3 1HB ASP 3 -12.521 4.329 -1.701
27 H ALA 4 H ALA 4 -9.383 3.548 -2.316
28 HA ALA 4 HA ALA 4 -10.414 0.919 -3.149
29 1HB ALA 4 1HB ALA 4 -7.673 0.599 -3.030
30 2HB ALA 4 2HB ALA 4 -7.876 2.172 -3.801
31 3HB ALA 4 3HB ALA 4 -8.643 0.744 -4.496
32 HA PRO 5 HA PRO 5 -10.355 0.774 1.429
33 1HB PRO 5 2HB PRO 5 -11.283 -1.941 0.582
34 2HB PRO 5 1HB PRO 5 -11.896 -0.897 1.870
35 1HG PRO 5 2HG PRO 5 -13.200 -1.104 -0.443
36 2HG PRO 5 1HG PRO 5 -13.076 0.452 0.398
37 1HD PRO 5 2HD PRO 5 -11.678 -0.495 -2.051
38 2HD PRO 5 1HD PRO 5 -12.160 1.148 -1.587
39 H CYS 6 H CYS 6 -9.546 -1.160 2.868
40 HA CYS 6 HA CYS 6 -6.985 -2.032 1.726
41 1HB CYS 6 2HB CYS 6 -6.861 -2.426 4.486
42 2HB CYS 6 1HB CYS 6 -6.098 -1.130 3.572
43 H ILE 7 H ILE 7 -9.110 -3.520 1.012
44 HA ILE 7 HA ILE 7 -8.454 -6.065 2.231
45 HB ILE 7 HB ILE 7 -11.221 -4.908 2.209
46 1HG1 ILE 7 2HG1 ILE 7 -9.899 -4.368 4.184
47 2HG1 ILE 7 1HG1 ILE 7 -11.180 -5.499 4.608
48 1HG2 ILE 7 1HG2 ILE 7 -10.442 -7.606 1.737
49 2HG2 ILE 7 2HG2 ILE 7 -12.069 -6.946 1.893
50 3HG2 ILE 7 3HG2 ILE 7 -11.211 -7.521 3.323
51 1HD1 ILE 7 1HD1 ILE 7 -9.616 -7.319 4.667
52 2HD1 ILE 7 2HD1 ILE 7 -9.023 -6.005 5.682
53 3HD1 ILE 7 3HD1 ILE 7 -8.321 -6.273 4.087
54 H CYS 8 H CYS 8 -7.538 -5.712 -0.089
55 HA CYS 8 HA CYS 8 -9.398 -6.130 -2.246
56 1HB CYS 8 2HB CYS 8 -6.623 -5.436 -1.947
57 2HB CYS 8 1HB CYS 8 -6.795 -6.752 -3.098
58 H THR 9 H THR 9 -7.021 -8.010 -0.487
59 HA THR 9 HA THR 9 -8.413 -10.447 -0.758
60 HB THR 9 HB THR 9 -7.651 -10.482 -3.018
61 HG1 THR 9 1HG THR 9 -7.372 -12.468 -2.091
62 1HG2 THR 9 1HG2 THR 9 -5.650 -9.850 -3.833
63 2HG2 THR 9 2HG2 THR 9 -4.778 -10.349 -2.385
64 3HG2 THR 9 3HG2 THR 9 -5.675 -8.832 -2.393
65 H MET 10 H MET 10 -6.515 -12.292 -0.389
66 HA MET 10 HA MET 10 -4.998 -11.279 1.916
67 1HB MET 10 2HB MET 10 -6.802 -13.501 1.691
68 2HB MET 10 1HB MET 10 -5.190 -14.107 2.053
69 1HG MET 10 2HG MET 10 -5.219 -13.307 4.141
70 2HG MET 10 1HG MET 10 -6.000 -11.802 3.660
71 1HE MET 10 1HE MET 10 -6.304 -13.413 6.239
72 2HE MET 10 2HE MET 10 -6.656 -15.067 5.739
73 3HE MET 10 3HE MET 10 -7.906 -14.096 6.514
74 H GLN 11 H GLN 11 -4.440 -11.571 -1.050
75 HA GLN 11 HA GLN 11 -2.439 -13.558 -1.350
76 1HB GLN 11 2HB GLN 11 -3.814 -12.035 -3.097
77 2HB GLN 11 1HB GLN 11 -2.309 -11.129 -3.042
78 1HG GLN 11 2HG GLN 11 -2.097 -12.626 -4.836
79 2HG GLN 11 1HG GLN 11 -1.126 -13.302 -3.530
80 1HE2 GLN 11 1HE2 GLN 11 -2.863 -14.286 -5.939
81 2HE2 GLN 11 2HE2 GLN 11 -3.675 -15.656 -5.271
82 H TYR 12 H TYR 12 -1.654 -12.758 0.884
83 HA TYR 12 HA TYR 12 -0.324 -10.757 1.778
84 1HB TYR 12 2HB TYR 12 -0.010 -13.432 2.181
85 2HB TYR 12 1HB TYR 12 1.589 -12.983 1.595
86 HD1 TYR 12 1HD TYR 12 -0.735 -10.943 3.655
87 HD2 TYR 12 2HD TYR 12 2.904 -13.144 3.528
88 HE1 TYR 12 1HE TYR 12 -0.157 -10.105 5.894
89 HE2 TYR 12 2HE TYR 12 3.492 -12.313 5.766
90 HH TYR 12 HH TYR 12 1.560 -11.204 7.881
91 H ASP 13 H ASP 13 0.098 -9.256 0.081
92 HA ASP 13 HA ASP 13 2.671 -9.724 -1.279
93 1HB ASP 13 2HB ASP 13 0.148 -8.980 -2.371
94 2HB ASP 13 1HB ASP 13 1.203 -7.574 -2.485
95 HA PRO 14 HA PRO 14 2.793 -6.298 1.980
96 1HB PRO 14 2HB PRO 14 5.239 -7.152 2.940
97 2HB PRO 14 1HB PRO 14 3.668 -7.538 3.649
98 1HG PRO 14 2HG PRO 14 5.374 -9.166 1.817
99 2HG PRO 14 1HG PRO 14 4.399 -9.687 3.204
100 1HD PRO 14 2HD PRO 14 3.559 -10.062 0.683
101 2HD PRO 14 1HD PRO 14 2.421 -9.651 1.984
102 H VAL 15 H VAL 15 3.097 -4.788 0.365
103 HA VAL 15 HA VAL 15 5.725 -4.567 -0.892
104 HB VAL 15 HB VAL 15 4.683 -2.909 -2.311
105 1HG1 VAL 15 1HG1 VAL 15 3.342 -4.329 -3.586
106 2HG1 VAL 15 2HG1 VAL 15 2.713 -5.154 -2.159
107 3HG1 VAL 15 3HG1 VAL 15 4.379 -5.427 -2.672
108 1HG2 VAL 15 1HG2 VAL 15 2.274 -2.401 -2.112
109 2HG2 VAL 15 2HG2 VAL 15 3.213 -1.839 -0.729
110 3HG2 VAL 15 3HG2 VAL 15 2.242 -3.305 -0.598
111 H CYS 16 H CYS 16 7.170 -3.233 -0.242
112 HA CYS 16 HA CYS 16 6.687 -1.480 1.968
113 1HB CYS 16 2HB CYS 16 8.883 -2.841 0.882
114 2HB CYS 16 1HB CYS 16 9.249 -1.134 0.769
115 H GLY 17 H GLY 17 5.861 0.461 1.751
116 1HA GLY 17 2HA GLY 17 6.241 1.834 -0.802
117 2HA GLY 17 1HA GLY 17 4.930 2.138 0.316
118 H SER 18 H SER 18 7.058 3.753 -1.019
119 HA SER 18 HA SER 18 8.971 4.729 0.668
120 1HB SER 18 2HB SER 18 9.045 5.540 -1.539
121 2HB SER 18 1HB SER 18 7.356 6.051 -1.500
122 HG SER 18 HG SER 18 9.334 7.604 -1.145
123 H ASP 19 H ASP 19 8.403 4.837 2.699
124 HA ASP 19 HA ASP 19 7.533 7.175 3.839
125 1HB ASP 19 2HB ASP 19 5.309 6.608 2.859
126 2HB ASP 19 1HB ASP 19 5.302 5.124 3.805
127 H GLY 20 H GLY 20 7.866 3.741 3.919
128 1HA GLY 20 2HA GLY 20 9.353 2.755 5.531
129 2HA GLY 20 1HA GLY 20 8.752 3.910 6.715
130 H ILE 21 H ILE 21 6.691 2.151 4.447
131 HA ILE 21 HA ILE 21 5.808 0.470 6.702
132 HB ILE 21 HB ILE 21 4.031 2.191 4.989
133 1HG1 ILE 21 2HG1 ILE 21 5.026 3.227 7.005
134 2HG1 ILE 21 1HG1 ILE 21 3.276 3.081 7.128
135 1HG2 ILE 21 1HG2 ILE 21 2.867 0.163 5.021
136 2HG2 ILE 21 2HG2 ILE 21 2.178 1.079 6.361
137 3HG2 ILE 21 3HG2 ILE 21 3.354 -0.195 6.677
138 1HD1 ILE 21 1HD1 ILE 21 3.639 1.000 8.468
139 2HD1 ILE 21 2HD1 ILE 21 4.198 2.490 9.228
140 3HD1 ILE 21 3HD1 ILE 21 5.358 1.391 8.481
141 H THR 22 H THR 22 5.353 -1.580 6.234
142 HA THR 22 HA THR 22 5.499 -2.424 3.433
143 HB THR 22 HB THR 22 5.321 -4.341 5.734
144 HG1 THR 22 1HG THR 22 7.064 -3.481 6.521
145 1HG2 THR 22 1HG2 THR 22 5.324 -5.233 3.466
146 2HG2 THR 22 2HG2 THR 22 6.766 -5.709 4.365
147 3HG2 THR 22 3HG2 THR 22 6.863 -4.428 3.155
148 H TYR 23 H TYR 23 3.545 -2.091 2.578
149 HA TYR 23 HA TYR 23 1.116 -2.617 4.006
150 1HB TYR 23 2HB TYR 23 1.515 -1.960 1.090
151 2HB TYR 23 1HB TYR 23 0.043 -1.745 2.037
152 HD1 TYR 23 1HD TYR 23 3.336 -0.409 1.251
153 HD2 TYR 23 2HD TYR 23 -0.067 0.027 3.769
154 HE1 TYR 23 1HE TYR 23 4.132 1.819 1.928
155 HE2 TYR 23 2HE TYR 23 0.717 2.263 4.439
156 HH TYR 23 HH TYR 23 2.578 3.624 4.481
157 H GLY 24 H GLY 24 0.042 -4.438 4.116
158 1HA GLY 24 2HA GLY 24 0.797 -6.911 3.361
159 2HA GLY 24 1HA GLY 24 -0.895 -6.459 3.502
160 H ASN 25 H ASN 25 -0.570 -4.510 1.314
161 HA ASN 25 HA ASN 25 0.245 -5.806 -1.034
162 1HB ASN 25 2HB ASN 25 -2.254 -5.972 -1.914
163 2HB ASN 25 1HB ASN 25 -1.461 -7.321 -1.110
164 1HD2 ASN 25 1HD2 ASN 25 -2.790 -8.317 0.220
165 2HD2 ASN 25 2HD2 ASN 25 -3.969 -7.562 1.230
166 H ALA 26 H ALA 26 -0.049 -4.548 -2.899
167 HA ALA 26 HA ALA 26 0.120 -1.833 -2.645
168 1HB ALA 26 1HB ALA 26 0.793 -2.513 -4.718
169 2HB ALA 26 2HB ALA 26 -0.809 -1.900 -5.124
170 3HB ALA 26 3HB ALA 26 -0.556 -3.631 -4.912
171 H CYS 27 H CYS 27 -2.692 -3.808 -2.628
172 HA CYS 27 HA CYS 27 -4.576 -1.710 -3.157
173 1HB CYS 27 2HB CYS 27 -4.711 -4.576 -2.464
174 2HB CYS 27 1HB CYS 27 -6.050 -3.596 -1.873
175 H MET 28 H MET 28 -3.561 -3.499 -0.253
176 HA MET 28 HA MET 28 -4.954 -2.090 1.685
177 1HB MET 28 2HB MET 28 -2.212 -3.313 1.592
178 2HB MET 28 1HB MET 28 -2.716 -2.411 3.015
179 1HG MET 28 2HG MET 28 -4.740 -4.305 2.252
180 2HG MET 28 1HG MET 28 -3.182 -5.098 2.482
181 1HE MET 28 1HE MET 28 -6.156 -5.040 5.003
182 2HE MET 28 2HE MET 28 -4.870 -6.120 5.542
183 3HE MET 28 3HE MET 28 -5.294 -6.040 3.833
184 H LEU 29 H LEU 29 -2.041 -1.434 -0.081
185 HA LEU 29 HA LEU 29 -1.157 0.929 1.034
186 1HB LEU 29 2HB LEU 29 -0.716 -0.626 -1.285
187 2HB LEU 29 1HB LEU 29 -0.970 1.009 -1.824
188 HG LEU 29 HG LEU 29 1.276 -0.152 -0.290
189 1HD1 LEU 29 1HD1 LEU 29 1.897 0.358 -2.435
190 2HD1 LEU 29 2HD1 LEU 29 2.302 1.875 -1.631
191 3HD1 LEU 29 3HD1 LEU 29 0.800 1.733 -2.540
192 1HD2 LEU 29 1HD2 LEU 29 1.903 2.126 0.529
193 2HD2 LEU 29 2HD2 LEU 29 0.524 1.419 1.354
194 3HD2 LEU 29 3HD2 LEU 29 0.271 2.661 0.135
195 H LEU 30 H LEU 30 -3.311 0.411 -1.703
196 HA LEU 30 HA LEU 30 -3.986 3.019 -2.247
197 1HB LEU 30 2HB LEU 30 -5.442 0.421 -2.495
198 2HB LEU 30 1HB LEU 30 -6.320 1.907 -2.771
199 HG LEU 30 HG LEU 30 -3.775 1.281 -4.238
200 1HD1 LEU 30 1HD1 LEU 30 -6.574 0.660 -5.167
201 2HD1 LEU 30 2HD1 LEU 30 -5.410 -0.538 -4.599
202 3HD1 LEU 30 3HD1 LEU 30 -5.075 0.395 -6.058
203 1HD2 LEU 30 1HD2 LEU 30 -5.144 3.598 -4.052
204 2HD2 LEU 30 2HD2 LEU 30 -5.948 2.864 -5.440
205 3HD2 LEU 30 3HD2 LEU 30 -4.202 3.121 -5.465
206 H CYS 31 H CYS 31 -5.018 0.894 0.348
207 HA CYS 31 HA CYS 31 -7.037 2.726 1.313
208 1HB CYS 31 2HB CYS 31 -6.853 0.140 1.712
209 2HB CYS 31 1HB CYS 31 -5.786 0.611 3.031
210 H ALA 32 H ALA 32 -3.656 2.132 1.765
211 HA ALA 32 HA ALA 32 -3.267 3.608 4.144
212 1HB ALA 32 1HB ALA 32 -1.661 1.964 3.013
213 2HB ALA 32 2HB ALA 32 -0.968 3.420 3.726
214 3HB ALA 32 3HB ALA 32 -1.207 3.320 1.982
215 H SER 33 H SER 33 -2.694 4.426 0.733
216 HA SER 33 HA SER 33 -2.155 7.158 1.153
217 1HB SER 33 2HB SER 33 -2.176 5.419 -1.020
218 2HB SER 33 1HB SER 33 -3.443 6.584 -1.403
219 HG SER 33 HG SER 33 -1.516 7.403 -2.154
220 H ALA 34 H ALA 34 -5.071 5.369 1.211
221 HA ALA 34 HA ALA 34 -6.776 7.643 0.625
222 1HB ALA 34 1HB ALA 34 -7.319 5.379 -0.198
223 2HB ALA 34 2HB ALA 34 -8.606 6.090 0.776
224 3HB ALA 34 3HB ALA 34 -7.551 4.860 1.472
225 H ARG 35 H ARG 35 -6.072 5.571 3.417
226 HA ARG 35 HA ARG 35 -7.727 7.294 5.098
227 1HB ARG 35 2HB ARG 35 -8.332 5.255 5.821
228 2HB ARG 35 1HB ARG 35 -6.899 4.492 5.151
229 1HG ARG 35 2HG ARG 35 -6.832 6.057 7.716
230 2HG ARG 35 1HG ARG 35 -7.229 4.340 7.658
231 1HD ARG 35 2HD ARG 35 -5.091 3.765 7.426
232 2HD ARG 35 1HD ARG 35 -4.846 4.933 6.130
233 HE ARG 35 HE ARG 35 -4.783 6.529 8.248
234 1HH1 ARG 35 1HH1 ARG 35 -3.281 3.427 7.730
235 2HH1 ARG 35 2HH1 ARG 35 -1.927 3.767 8.757
236 1HH2 ARG 35 1HH2 ARG 35 -2.998 6.986 9.598
237 2HH2 ARG 35 2HH2 ARG 35 -1.766 5.788 9.815
238 H SER 36 H SER 36 -4.494 7.123 4.219
239 HA SER 36 HA SER 36 -3.460 7.867 6.815
240 1HB SER 36 2HB SER 36 -2.104 6.446 5.354
241 2HB SER 36 1HB SER 36 -2.098 7.698 4.115
242 HG SER 36 HG SER 36 -0.325 7.427 5.938
243 H ASP 37 H ASP 37 -2.047 9.544 4.189
244 HA ASP 37 HA ASP 37 -3.581 11.839 4.010
245 1HB ASP 37 2HB ASP 37 -2.887 11.830 6.530
246 2HB ASP 37 1HB ASP 37 -1.332 12.386 5.919
247 H THR 38 H THR 38 -0.459 10.321 4.003
248 HA THR 38 HA THR 38 0.508 12.272 2.023
249 HB THR 38 HB THR 38 2.216 12.266 3.526
250 HG1 THR 38 1HG THR 38 3.711 10.436 2.961
251 1HG2 THR 38 1HG2 THR 38 1.257 10.880 5.210
252 2HG2 THR 38 2HG2 THR 38 2.896 10.312 4.893
253 3HG2 THR 38 3HG2 THR 38 1.517 9.432 4.237
254 HA PRO 39 HA PRO 39 0.090 9.157 -1.083
255 1HB PRO 39 2HB PRO 39 1.575 10.308 -3.019
256 2HB PRO 39 1HB PRO 39 -0.005 10.942 -2.544
257 1HG PRO 39 2HG PRO 39 2.728 11.878 -1.753
258 2HG PRO 39 1HG PRO 39 1.311 12.835 -2.226
259 1HD PRO 39 2HD PRO 39 2.047 12.454 0.367
260 2HD PRO 39 1HD PRO 39 0.362 12.694 -0.137
261 H ILE 40 H ILE 40 1.270 7.486 0.041
262 HA ILE 40 HA ILE 40 4.037 7.270 0.206
263 HB ILE 40 HB ILE 40 3.690 4.852 0.411
264 1HG1 ILE 40 2HG1 ILE 40 1.646 5.190 -1.362
265 2HG1 ILE 40 1HG1 ILE 40 1.879 3.751 -0.380
266 1HG2 ILE 40 1HG2 ILE 40 3.308 6.220 2.359
267 2HG2 ILE 40 2HG2 ILE 40 2.134 4.905 2.330
268 3HG2 ILE 40 3HG2 ILE 40 1.647 6.532 1.854
269 1HD1 ILE 40 1HD1 ILE 40 -0.405 4.396 -0.231
270 2HD1 ILE 40 2HD1 ILE 40 0.032 6.057 0.167
271 3HD1 ILE 40 3HD1 ILE 40 0.357 4.761 1.318
272 H GLU 41 H GLU 41 5.523 5.961 -1.064
273 HA GLU 41 HA GLU 41 4.666 5.554 -3.846
274 1HB GLU 41 2HB GLU 41 6.876 7.281 -2.856
275 2HB GLU 41 1HB GLU 41 7.150 6.370 -4.336
276 1HG GLU 41 2HG GLU 41 5.258 7.400 -5.389
277 2HG GLU 41 1HG GLU 41 4.806 8.198 -3.884
278 H LEU 42 H LEU 42 4.668 3.373 -3.776
279 HA LEU 42 HA LEU 42 6.101 1.560 -2.475
280 1HB LEU 42 2HB LEU 42 4.844 1.610 -5.044
281 2HB LEU 42 1HB LEU 42 6.268 0.605 -5.093
282 HG LEU 42 HG LEU 42 3.853 -0.328 -4.435
283 1HD1 LEU 42 1HD1 LEU 42 6.414 -1.273 -4.467
284 2HD1 LEU 42 2HD1 LEU 42 4.973 -2.233 -4.130
285 3HD1 LEU 42 3HD1 LEU 42 5.923 -1.571 -2.799
286 1HD2 LEU 42 1HD2 LEU 42 3.501 -0.488 -2.109
287 2HD2 LEU 42 2HD2 LEU 42 3.837 1.215 -2.423
288 3HD2 LEU 42 3HD2 LEU 42 5.090 0.178 -1.742
289 H VAL 43 H VAL 43 8.016 0.447 -2.614
290 HA VAL 43 HA VAL 43 10.085 1.587 -4.351
291 HB VAL 43 HB VAL 43 10.318 2.761 -2.231
292 1HG1 VAL 43 1HG1 VAL 43 9.420 1.405 -0.588
293 2HG1 VAL 43 2HG1 VAL 43 11.150 1.312 -0.264
294 3HG1 VAL 43 3HG1 VAL 43 10.338 -0.007 -1.107
295 1HG2 VAL 43 1HG2 VAL 43 12.460 0.772 -2.923
296 2HG2 VAL 43 2HG2 VAL 43 12.693 2.036 -1.716
297 3HG2 VAL 43 3HG2 VAL 43 12.345 2.467 -3.390
298 H HIS 44 H HIS 44 9.098 -1.012 -2.176
299 HA HIS 44 HA HIS 44 10.378 -2.913 -3.928
300 1HB HIS 44 2HB HIS 44 11.045 -3.865 -1.356
301 2HB HIS 44 1HB HIS 44 12.139 -3.383 -2.647
302 HD1 HIS 44 1HD HIS 44 13.086 -0.948 -2.539
303 HD2 HIS 44 2HD HIS 44 10.873 -2.128 0.768
304 HE1 HIS 44 1HE HIS 44 13.609 0.735 -0.751
305 HE2 HIS 44 2HE HIS 44 12.316 -0.032 1.265
306 H LYS 45 H LYS 45 8.937 -4.432 -4.322
307 HA LYS 45 HA LYS 45 6.534 -4.658 -2.822
308 1HB LYS 45 2HB LYS 45 7.569 -6.625 -4.862
309 2HB LYS 45 1HB LYS 45 5.898 -6.356 -4.386
310 1HG LYS 45 2HG LYS 45 5.678 -4.508 -5.675
311 2HG LYS 45 1HG LYS 45 7.369 -4.037 -5.485
312 1HD LYS 45 2HD LYS 45 6.865 -4.728 -7.786
313 2HD LYS 45 1HD LYS 45 8.050 -5.793 -7.027
314 1HE LYS 45 2HE LYS 45 6.306 -7.429 -6.568
315 2HE LYS 45 1HE LYS 45 5.096 -6.357 -7.274
316 1HZ LYS 45 1HZ LYS 45 5.777 -6.817 -9.371
317 2HZ LYS 45 2HZ LYS 45 6.244 -8.275 -8.652
318 3HZ LYS 45 3HZ LYS 45 7.392 -7.066 -8.933
319 H GLY 46 H GLY 46 7.945 -5.023 -0.781
320 1HA GLY 46 2HA GLY 46 7.445 -7.633 0.145
321 2HA GLY 46 1HA GLY 46 9.157 -7.474 -0.233
322 H ARG 47 H ARG 47 9.504 -7.811 2.080
323 HA ARG 47 HA ARG 47 8.663 -5.617 3.794
324 1HB ARG 47 2HB ARG 47 10.316 -8.055 4.481
325 2HB ARG 47 1HB ARG 47 9.616 -6.917 5.625
326 1HG ARG 47 2HG ARG 47 7.416 -7.666 4.244
327 2HG ARG 47 1HG ARG 47 8.376 -9.144 4.179
328 1HD ARG 47 2HD ARG 47 6.976 -9.229 6.126
329 2HD ARG 47 1HD ARG 47 8.645 -9.008 6.647
330 HE ARG 47 HE ARG 47 7.514 -6.481 6.440
331 1HH1 ARG 47 1HH1 ARG 47 7.053 -9.387 8.300
332 2HH1 ARG 47 2HH1 ARG 47 6.439 -8.558 9.691
333 1HH2 ARG 47 1HH2 ARG 47 6.708 -5.373 8.272
334 2HH2 ARG 47 2HH2 ARG 47 6.247 -6.275 9.677
335 H CYS 48 H CYS 48 10.066 -4.407 2.077
336 HA CYS 48 HA CYS 48 12.012 -3.322 1.531
337 1HB CYS 48 2HB CYS 48 11.551 -3.037 4.458
338 2HB CYS 48 1HB CYS 48 13.002 -2.324 3.761
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 -9.426 11.495 -10.011
2 2H LYS 1 2HT LYS 1 -10.045 11.720 -8.426
3 3H LYS 1 3HT LYS 1 -11.100 11.285 -9.708
4 HA LYS 1 HA LYS 1 -10.840 9.312 -8.715
5 1HB LYS 1 2HB LYS 1 -8.416 9.407 -10.516
6 2HB LYS 1 1HB LYS 1 -9.402 8.001 -10.136
7 1HG LYS 1 2HG LYS 1 -11.291 8.998 -11.319
8 2HG LYS 1 1HG LYS 1 -10.309 10.418 -11.690
9 1HD LYS 1 2HD LYS 1 -8.704 8.443 -12.609
10 2HD LYS 1 1HD LYS 1 -10.293 7.731 -12.897
11 1HE LYS 1 2HE LYS 1 -9.929 8.882 -14.862
12 2HE LYS 1 1HE LYS 1 -10.850 10.056 -13.923
13 1HZ LYS 1 1HZ LYS 1 -9.037 11.381 -13.624
14 2HZ LYS 1 2HZ LYS 1 -8.649 10.727 -15.135
15 3HZ LYS 1 3HZ LYS 1 -7.927 10.109 -13.737
16 HA PRO 2 HA PRO 2 -7.547 9.964 -5.597
17 1HB PRO 2 2HB PRO 2 -9.044 9.581 -3.423
18 2HB PRO 2 1HB PRO 2 -9.119 11.102 -4.321
19 1HG PRO 2 2HG PRO 2 -11.006 8.781 -4.365
20 2HG PRO 2 1HG PRO 2 -11.366 10.517 -4.364
21 1HD PRO 2 2HD PRO 2 -11.346 8.908 -6.616
22 2HD PRO 2 1HD PRO 2 -11.153 10.671 -6.631
23 H ASP 3 H ASP 3 -6.991 8.484 -3.653
24 HA ASP 3 HA ASP 3 -7.382 5.685 -4.489
25 1HB ASP 3 2HB ASP 3 -5.219 5.448 -2.978
26 2HB ASP 3 1HB ASP 3 -5.100 5.944 -4.662
27 H ALA 4 H ALA 4 -8.195 4.240 -3.055
28 HA ALA 4 HA ALA 4 -8.157 4.715 -0.224
29 1HB ALA 4 1HB ALA 4 -10.847 4.416 -0.430
30 2HB ALA 4 2HB ALA 4 -10.500 5.436 -1.826
31 3HB ALA 4 3HB ALA 4 -10.020 5.958 -0.211
32 HA PRO 5 HA PRO 5 -10.761 0.598 -1.200
33 1HB PRO 5 2HB PRO 5 -9.869 0.515 -4.056
34 2HB PRO 5 1HB PRO 5 -11.355 -0.104 -3.326
35 1HG PRO 5 2HG PRO 5 -11.346 2.188 -4.697
36 2HG PRO 5 1HG PRO 5 -12.346 1.985 -3.248
37 1HD PRO 5 2HD PRO 5 -9.863 3.560 -3.622
38 2HD PRO 5 1HD PRO 5 -11.202 3.807 -2.484
39 H CYS 6 H CYS 6 -9.835 -1.519 -1.248
40 HA CYS 6 HA CYS 6 -7.119 -1.918 -2.067
41 1HB CYS 6 2HB CYS 6 -6.230 -2.386 0.196
42 2HB CYS 6 1HB CYS 6 -6.686 -0.698 -0.008
43 H ILE 7 H ILE 7 -8.583 -3.494 -3.164
44 HA ILE 7 HA ILE 7 -8.765 -5.931 -1.533
45 HB ILE 7 HB ILE 7 -10.818 -5.004 -3.534
46 1HG1 ILE 7 2HG1 ILE 7 -10.955 -3.880 -1.335
47 2HG1 ILE 7 1HG1 ILE 7 -12.341 -4.926 -1.627
48 1HG2 ILE 7 1HG2 ILE 7 -11.530 -7.107 -3.704
49 2HG2 ILE 7 2HG2 ILE 7 -11.542 -7.304 -1.952
50 3HG2 ILE 7 3HG2 ILE 7 -10.061 -7.603 -2.863
51 1HD1 ILE 7 1HD1 ILE 7 -11.676 -6.463 -0.044
52 2HD1 ILE 7 2HD1 ILE 7 -11.198 -4.931 0.686
53 3HD1 ILE 7 3HD1 ILE 7 -9.990 -5.947 -0.100
54 H CYS 8 H CYS 8 -6.555 -5.620 -2.925
55 HA CYS 8 HA CYS 8 -6.776 -6.585 -5.626
56 1HB CYS 8 2HB CYS 8 -4.490 -5.995 -3.761
57 2HB CYS 8 1HB CYS 8 -4.214 -6.805 -5.296
58 H THR 9 H THR 9 -5.982 -7.877 -2.470
59 HA THR 9 HA THR 9 -6.740 -10.505 -3.147
60 HB THR 9 HB THR 9 -4.683 -10.672 -4.321
61 HG1 THR 9 1HG THR 9 -4.730 -12.526 -3.304
62 1HG2 THR 9 1HG2 THR 9 -2.496 -10.309 -3.145
63 2HG2 THR 9 2HG2 THR 9 -3.406 -9.429 -1.918
64 3HG2 THR 9 3HG2 THR 9 -3.390 -8.854 -3.585
65 H MET 10 H MET 10 -6.944 -11.801 -1.360
66 HA MET 10 HA MET 10 -6.449 -10.470 1.200
67 1HB MET 10 2HB MET 10 -8.524 -12.191 0.188
68 2HB MET 10 1HB MET 10 -7.779 -12.942 1.593
69 1HG MET 10 2HG MET 10 -9.754 -11.524 2.102
70 2HG MET 10 1HG MET 10 -8.285 -11.067 2.964
71 1HE MET 10 1HE MET 10 -9.245 -7.807 3.078
72 2HE MET 10 2HE MET 10 -7.556 -7.895 2.578
73 3HE MET 10 3HE MET 10 -8.233 -9.143 3.625
74 H GLN 11 H GLN 11 -4.410 -11.715 -0.539
75 HA GLN 11 HA GLN 11 -3.625 -14.126 0.872
76 1HB GLN 11 2HB GLN 11 -2.680 -12.652 -1.534
77 2HB GLN 11 1HB GLN 11 -1.523 -13.681 -0.701
78 1HG GLN 11 2HG GLN 11 -3.432 -15.456 -0.860
79 2HG GLN 11 1HG GLN 11 -4.004 -14.422 -2.167
80 1HE2 GLN 11 1HE2 GLN 11 -2.851 -17.173 -2.117
81 2HE2 GLN 11 2HE2 GLN 11 -1.547 -17.128 -3.249
82 H TYR 12 H TYR 12 -1.043 -12.031 -0.057
83 HA TYR 12 HA TYR 12 -0.639 -10.570 2.270
84 1HB TYR 12 2HB TYR 12 -0.317 -13.257 2.811
85 2HB TYR 12 1HB TYR 12 1.332 -12.720 2.513
86 HD1 TYR 12 1HD TYR 12 -1.702 -11.888 4.505
87 HD2 TYR 12 2HD TYR 12 2.536 -11.664 4.210
88 HE1 TYR 12 1HE TYR 12 -1.599 -10.980 6.789
89 HE2 TYR 12 2HE TYR 12 2.653 -10.757 6.493
90 HH TYR 12 HH TYR 12 0.502 -11.020 8.691
91 H ASP 13 H ASP 13 -0.119 -9.341 0.258
92 HA ASP 13 HA ASP 13 2.628 -9.862 -0.655
93 1HB ASP 13 2HB ASP 13 0.280 -9.253 -2.097
94 2HB ASP 13 1HB ASP 13 1.283 -7.805 -2.166
95 HA PRO 14 HA PRO 14 2.658 -6.207 2.270
96 1HB PRO 14 2HB PRO 14 5.038 -6.976 3.418
97 2HB PRO 14 1HB PRO 14 3.439 -7.376 4.051
98 1HG PRO 14 2HG PRO 14 5.290 -9.032 2.390
99 2HG PRO 14 1HG PRO 14 4.266 -9.519 3.754
100 1HD PRO 14 2HD PRO 14 3.574 -10.023 1.204
101 2HD PRO 14 1HD PRO 14 2.361 -9.632 2.441
102 H VAL 15 H VAL 15 3.038 -4.837 0.530
103 HA VAL 15 HA VAL 15 5.735 -4.731 -0.577
104 HB VAL 15 HB VAL 15 4.782 -3.256 -2.255
105 1HG1 VAL 15 1HG1 VAL 15 4.374 -5.914 -2.087
106 2HG1 VAL 15 2HG1 VAL 15 3.897 -4.934 -3.473
107 3HG1 VAL 15 3HG1 VAL 15 2.712 -5.344 -2.234
108 1HG2 VAL 15 1HG2 VAL 15 3.146 -1.955 -1.337
109 2HG2 VAL 15 2HG2 VAL 15 2.450 -3.292 -0.422
110 3HG2 VAL 15 3HG2 VAL 15 2.147 -3.158 -2.153
111 H CYS 16 H CYS 16 7.102 -3.249 -0.075
112 HA CYS 16 HA CYS 16 6.502 -1.330 1.957
113 1HB CYS 16 2HB CYS 16 8.766 -2.679 1.020
114 2HB CYS 16 1HB CYS 16 9.063 -0.978 0.744
115 H GLY 17 H GLY 17 5.737 0.633 1.633
116 1HA GLY 17 2HA GLY 17 6.093 1.787 -1.043
117 2HA GLY 17 1HA GLY 17 4.722 2.109 0.000
118 H SER 18 H SER 18 6.692 3.813 -1.346
119 HA SER 18 HA SER 18 8.580 4.990 0.196
120 1HB SER 18 2HB SER 18 8.493 5.968 -1.888
121 2HB SER 18 1HB SER 18 6.732 6.027 -1.904
122 HG SER 18 HG SER 18 7.529 8.106 -1.654
123 H ASP 19 H ASP 19 8.260 5.107 2.246
124 HA ASP 19 HA ASP 19 7.252 7.256 3.552
125 1HB ASP 19 2HB ASP 19 4.999 6.767 2.889
126 2HB ASP 19 1HB ASP 19 5.174 5.069 3.319
127 H GLY 20 H GLY 20 7.940 3.891 3.421
128 1HA GLY 20 2HA GLY 20 9.556 2.893 4.840
129 2HA GLY 20 1HA GLY 20 9.093 4.021 6.108
130 H ILE 21 H ILE 21 6.675 2.372 4.183
131 HA ILE 21 HA ILE 21 6.185 0.611 6.504
132 HB ILE 21 HB ILE 21 4.326 2.539 5.235
133 1HG1 ILE 21 2HG1 ILE 21 3.489 2.712 7.515
134 2HG1 ILE 21 1HG1 ILE 21 4.440 1.311 7.997
135 1HG2 ILE 21 1HG2 ILE 21 3.365 -0.133 6.253
136 2HG2 ILE 21 2HG2 ILE 21 3.261 0.449 4.590
137 3HG2 ILE 21 3HG2 ILE 21 2.338 1.247 5.864
138 1HD1 ILE 21 1HD1 ILE 21 5.203 3.865 8.357
139 2HD1 ILE 21 2HD1 ILE 21 5.970 3.516 6.809
140 3HD1 ILE 21 3HD1 ILE 21 6.320 2.509 8.213
141 H THR 22 H THR 22 5.383 -1.403 6.143
142 HA THR 22 HA THR 22 5.500 -2.343 3.364
143 HB THR 22 HB THR 22 5.506 -4.028 5.874
144 HG1 THR 22 1HG THR 22 7.328 -2.477 5.583
145 1HG2 THR 22 1HG2 THR 22 5.935 -5.825 4.603
146 2HG2 THR 22 2HG2 THR 22 6.881 -4.907 3.431
147 3HG2 THR 22 3HG2 THR 22 5.119 -4.877 3.360
148 H TYR 23 H TYR 23 3.513 -2.008 2.560
149 HA TYR 23 HA TYR 23 1.126 -2.490 4.078
150 1HB TYR 23 2HB TYR 23 1.453 -1.902 1.140
151 2HB TYR 23 1HB TYR 23 -0.008 -1.692 2.104
152 HD1 TYR 23 1HD TYR 23 3.098 -0.236 1.050
153 HD2 TYR 23 2HD TYR 23 0.035 0.019 3.992
154 HE1 TYR 23 1HE TYR 23 3.876 2.012 1.649
155 HE2 TYR 23 2HE TYR 23 0.798 2.280 4.591
156 HH TYR 23 HH TYR 23 2.499 3.772 4.370
157 H GLY 24 H GLY 24 0.070 -4.313 4.274
158 1HA GLY 24 2HA GLY 24 0.777 -6.797 3.552
159 2HA GLY 24 1HA GLY 24 -0.910 -6.327 3.705
160 H ASN 25 H ASN 25 -0.689 -4.440 1.487
161 HA ASN 25 HA ASN 25 0.048 -5.896 -0.847
162 1HB ASN 25 2HB ASN 25 -2.889 -5.729 -0.156
163 2HB ASN 25 1HB ASN 25 -2.299 -6.060 -1.780
164 1HD2 ASN 25 1HD2 ASN 25 -3.766 -7.563 0.466
165 2HD2 ASN 25 2HD2 ASN 25 -2.970 -9.092 0.493
166 H ALA 26 H ALA 26 -0.057 -4.649 -2.745
167 HA ALA 26 HA ALA 26 0.303 -1.931 -2.544
168 1HB ALA 26 1HB ALA 26 -0.184 -3.817 -4.726
169 2HB ALA 26 2HB ALA 26 0.959 -2.478 -4.618
170 3HB ALA 26 3HB ALA 26 -0.715 -2.172 -5.078
171 H CYS 27 H CYS 27 -2.613 -3.735 -2.611
172 HA CYS 27 HA CYS 27 -4.367 -1.522 -3.176
173 1HB CYS 27 2HB CYS 27 -4.635 -4.412 -2.744
174 2HB CYS 27 1HB CYS 27 -5.936 -3.467 -2.030
175 H MET 28 H MET 28 -3.557 -3.543 -0.370
176 HA MET 28 HA MET 28 -4.980 -2.274 1.621
177 1HB MET 28 2HB MET 28 -2.123 -3.266 1.656
178 2HB MET 28 1HB MET 28 -3.032 -2.849 3.092
179 1HG MET 28 2HG MET 28 -4.611 -4.656 1.627
180 2HG MET 28 1HG MET 28 -2.973 -5.304 1.665
181 1HE MET 28 1HE MET 28 -4.336 -7.451 3.155
182 2HE MET 28 2HE MET 28 -3.418 -7.384 4.659
183 3HE MET 28 3HE MET 28 -2.618 -7.057 3.122
184 H LEU 29 H LEU 29 -2.068 -1.456 -0.057
185 HA LEU 29 HA LEU 29 -1.214 0.845 1.228
186 1HB LEU 29 2HB LEU 29 -0.688 -0.552 -1.156
187 2HB LEU 29 1HB LEU 29 -1.029 1.092 -1.631
188 HG LEU 29 HG LEU 29 1.217 0.027 0.003
189 1HD1 LEU 29 1HD1 LEU 29 1.093 2.257 -2.013
190 2HD1 LEU 29 2HD1 LEU 29 1.372 0.570 -2.444
191 3HD1 LEU 29 3HD1 LEU 29 2.526 1.421 -1.417
192 1HD2 LEU 29 1HD2 LEU 29 0.480 1.602 1.553
193 2HD2 LEU 29 2HD2 LEU 29 -0.109 2.687 0.307
194 3HD2 LEU 29 3HD2 LEU 29 1.623 2.519 0.577
195 H LEU 30 H LEU 30 -3.279 0.511 -1.609
196 HA LEU 30 HA LEU 30 -3.992 3.130 -1.975
197 1HB LEU 30 2HB LEU 30 -5.396 0.523 -2.412
198 2HB LEU 30 1HB LEU 30 -6.298 2.010 -2.635
199 HG LEU 30 HG LEU 30 -3.681 1.737 -4.024
200 1HD1 LEU 30 1HD1 LEU 30 -4.517 -0.352 -4.633
201 2HD1 LEU 30 2HD1 LEU 30 -5.023 0.708 -5.949
202 3HD1 LEU 30 3HD1 LEU 30 -6.180 0.231 -4.707
203 1HD2 LEU 30 1HD2 LEU 30 -4.416 3.501 -5.170
204 2HD2 LEU 30 2HD2 LEU 30 -5.724 3.606 -3.991
205 3HD2 LEU 30 3HD2 LEU 30 -5.967 2.731 -5.504
206 H CYS 31 H CYS 31 -5.054 0.817 0.431
207 HA CYS 31 HA CYS 31 -7.116 2.522 1.513
208 1HB CYS 31 2HB CYS 31 -5.964 -0.125 2.126
209 2HB CYS 31 1HB CYS 31 -6.523 0.776 3.530
210 H ALA 32 H ALA 32 -3.733 1.899 2.039
211 HA ALA 32 HA ALA 32 -3.400 3.247 4.492
212 1HB ALA 32 1HB ALA 32 -1.784 1.787 2.771
213 2HB ALA 32 2HB ALA 32 -1.298 2.535 4.293
214 3HB ALA 32 3HB ALA 32 -1.081 3.405 2.774
215 H SER 33 H SER 33 -2.710 4.275 1.155
216 HA SER 33 HA SER 33 -1.985 6.895 1.666
217 1HB SER 33 2HB SER 33 -2.183 5.474 -0.581
218 2HB SER 33 1HB SER 33 -3.697 6.367 -0.719
219 HG SER 33 HG SER 33 -2.545 7.980 -1.375
220 H ALA 34 H ALA 34 -5.162 5.433 1.553
221 HA ALA 34 HA ALA 34 -6.543 7.970 1.629
222 1HB ALA 34 1HB ALA 34 -7.308 5.127 1.462
223 2HB ALA 34 2HB ALA 34 -7.912 6.523 0.570
224 3HB ALA 34 3HB ALA 34 -8.477 6.214 2.212
225 H ARG 35 H ARG 35 -5.125 5.918 3.972
226 HA ARG 35 HA ARG 35 -6.818 7.085 6.079
227 1HB ARG 35 2HB ARG 35 -6.454 5.212 7.393
228 2HB ARG 35 1HB ARG 35 -6.535 4.530 5.774
229 1HG ARG 35 2HG ARG 35 -4.064 4.538 5.691
230 2HG ARG 35 1HG ARG 35 -4.043 5.108 7.362
231 1HD ARG 35 2HD ARG 35 -5.221 2.515 6.369
232 2HD ARG 35 1HD ARG 35 -3.716 2.700 7.270
233 HE ARG 35 HE ARG 35 -5.479 3.802 8.948
234 1HH1 ARG 35 1HH1 ARG 35 -5.559 0.815 7.164
235 2HH1 ARG 35 2HH1 ARG 35 -6.538 -0.009 8.333
236 1HH2 ARG 35 1HH2 ARG 35 -6.767 2.725 10.498
237 2HH2 ARG 35 2HH2 ARG 35 -7.223 1.076 10.227
238 H SER 36 H SER 36 -3.626 7.127 4.805
239 HA SER 36 HA SER 36 -2.390 7.987 7.267
240 1HB SER 36 2HB SER 36 -1.084 6.653 5.722
241 2HB SER 36 1HB SER 36 -1.332 7.831 4.437
242 HG SER 36 HG SER 36 0.158 8.140 6.825
243 H ASP 37 H ASP 37 -1.529 9.672 4.362
244 HA ASP 37 HA ASP 37 -3.117 11.950 4.560
245 1HB ASP 37 2HB ASP 37 -2.185 12.341 6.743
246 2HB ASP 37 1HB ASP 37 -0.548 12.090 6.147
247 H THR 38 H THR 38 -0.021 10.528 3.786
248 HA THR 38 HA THR 38 0.224 12.383 1.511
249 HB THR 38 HB THR 38 2.097 12.492 3.129
250 HG1 THR 38 1HG THR 38 3.744 11.836 1.437
251 1HG2 THR 38 1HG2 THR 38 3.425 10.766 3.731
252 2HG2 THR 38 2HG2 THR 38 3.139 9.875 2.237
253 3HG2 THR 38 3HG2 THR 38 1.917 9.880 3.508
254 HA PRO 39 HA PRO 39 -0.474 8.984 -1.196
255 1HB PRO 39 2HB PRO 39 0.797 9.894 -3.416
256 2HB PRO 39 1HB PRO 39 -0.751 10.538 -2.860
257 1HG PRO 39 2HG PRO 39 2.005 11.641 -2.478
258 2HG PRO 39 1HG PRO 39 0.507 12.492 -2.900
259 1HD PRO 39 2HD PRO 39 1.515 12.473 -0.386
260 2HD PRO 39 1HD PRO 39 -0.228 12.541 -0.717
261 H ILE 40 H ILE 40 0.950 7.580 0.144
262 HA ILE 40 HA ILE 40 3.644 7.238 -0.028
263 HB ILE 40 HB ILE 40 3.180 4.763 0.212
264 1HG1 ILE 40 2HG1 ILE 40 0.642 5.641 -0.792
265 2HG1 ILE 40 1HG1 ILE 40 1.197 4.000 -0.498
266 1HG2 ILE 40 1HG2 ILE 40 1.956 6.832 2.005
267 2HG2 ILE 40 2HG2 ILE 40 3.470 5.950 2.203
268 3HG2 ILE 40 3HG2 ILE 40 1.932 5.119 2.425
269 1HD1 ILE 40 1HD1 ILE 40 0.391 4.095 1.769
270 2HD1 ILE 40 2HD1 ILE 40 -0.902 4.546 0.659
271 3HD1 ILE 40 3HD1 ILE 40 -0.051 5.792 1.573
272 H GLU 41 H GLU 41 4.992 5.775 -1.330
273 HA GLU 41 HA GLU 41 3.883 5.157 -3.985
274 1HB GLU 41 2HB GLU 41 6.147 7.018 -3.404
275 2HB GLU 41 1HB GLU 41 6.192 6.049 -4.872
276 1HG GLU 41 2HG GLU 41 4.325 7.089 -5.769
277 2HG GLU 41 1HG GLU 41 3.780 7.681 -4.201
278 H LEU 42 H LEU 42 4.080 2.996 -3.936
279 HA LEU 42 HA LEU 42 5.598 1.267 -2.668
280 1HB LEU 42 2HB LEU 42 4.404 1.252 -5.253
281 2HB LEU 42 1HB LEU 42 5.926 0.398 -5.323
282 HG LEU 42 HG LEU 42 3.865 -1.002 -4.839
283 1HD1 LEU 42 1HD1 LEU 42 5.252 -2.509 -3.974
284 2HD1 LEU 42 2HD1 LEU 42 5.551 -1.531 -2.537
285 3HD1 LEU 42 3HD1 LEU 42 6.479 -1.241 -4.009
286 1HD2 LEU 42 1HD2 LEU 42 4.029 -0.379 -1.994
287 2HD2 LEU 42 2HD2 LEU 42 2.622 -0.673 -3.015
288 3HD2 LEU 42 3HD2 LEU 42 3.365 0.926 -2.975
289 H VAL 43 H VAL 43 7.588 0.261 -2.782
290 HA VAL 43 HA VAL 43 9.653 1.509 -4.444
291 HB VAL 43 HB VAL 43 10.252 1.011 -1.545
292 1HG1 VAL 43 1HG1 VAL 43 12.032 2.668 -1.998
293 2HG1 VAL 43 2HG1 VAL 43 11.504 2.734 -3.679
294 3HG1 VAL 43 3HG1 VAL 43 12.150 1.233 -3.017
295 1HG2 VAL 43 1HG2 VAL 43 8.833 2.657 -1.005
296 2HG2 VAL 43 2HG2 VAL 43 8.661 3.186 -2.679
297 3HG2 VAL 43 3HG2 VAL 43 10.038 3.728 -1.720
298 H HIS 44 H HIS 44 8.728 -1.094 -2.256
299 HA HIS 44 HA HIS 44 10.180 -2.977 -3.887
300 1HB HIS 44 2HB HIS 44 10.833 -3.720 -1.229
301 2HB HIS 44 1HB HIS 44 11.929 -3.275 -2.533
302 HD1 HIS 44 1HD HIS 44 12.477 -0.639 -2.695
303 HD2 HIS 44 2HD HIS 44 10.711 -1.954 0.824
304 HE1 HIS 44 1HE HIS 44 12.856 1.205 -1.027
305 HE2 HIS 44 2HE HIS 44 11.747 0.407 1.086
306 H LYS 45 H LYS 45 8.894 -4.650 -4.216
307 HA LYS 45 HA LYS 45 6.465 -4.978 -2.770
308 1HB LYS 45 2HB LYS 45 5.964 -6.725 -4.285
309 2HB LYS 45 1HB LYS 45 6.860 -5.531 -5.212
310 1HG LYS 45 2HG LYS 45 8.281 -7.102 -5.833
311 2HG LYS 45 1HG LYS 45 8.747 -7.339 -4.147
312 1HD LYS 45 2HD LYS 45 8.029 -9.451 -4.633
313 2HD LYS 45 1HD LYS 45 6.500 -8.743 -4.109
314 1HE LYS 45 2HE LYS 45 6.584 -8.107 -6.780
315 2HE LYS 45 1HE LYS 45 7.320 -9.709 -6.740
316 1HZ LYS 45 1HZ LYS 45 5.336 -10.615 -6.453
317 2HZ LYS 45 2HZ LYS 45 4.623 -9.092 -6.639
318 3HZ LYS 45 3HZ LYS 45 5.023 -9.656 -5.095
319 H GLY 46 H GLY 46 7.915 -5.105 -0.696
320 1HA GLY 46 2HA GLY 46 7.580 -7.695 0.373
321 2HA GLY 46 1HA GLY 46 9.280 -7.431 0.003
322 H ARG 47 H ARG 47 9.611 -7.635 2.331
323 HA ARG 47 HA ARG 47 8.604 -5.426 3.935
324 1HB ARG 47 2HB ARG 47 10.547 -7.451 4.978
325 2HB ARG 47 1HB ARG 47 9.241 -6.627 5.819
326 1HG ARG 47 2HG ARG 47 7.611 -8.040 4.913
327 2HG ARG 47 1HG ARG 47 8.701 -8.636 3.661
328 1HD ARG 47 2HD ARG 47 8.671 -10.391 5.165
329 2HD ARG 47 1HD ARG 47 10.114 -9.502 5.653
330 HE ARG 47 HE ARG 47 9.096 -9.021 7.646
331 1HH1 ARG 47 1HH1 ARG 47 6.695 -10.110 5.375
332 2HH1 ARG 47 2HH1 ARG 47 5.428 -10.192 6.553
333 1HH2 ARG 47 1HH2 ARG 47 7.438 -9.122 9.208
334 2HH2 ARG 47 2HH2 ARG 47 5.850 -9.627 8.734
335 H CYS 48 H CYS 48 9.996 -4.219 2.147
336 HA CYS 48 HA CYS 48 11.883 -3.020 1.624
337 1HB CYS 48 2HB CYS 48 11.305 -2.678 4.515
338 2HB CYS 48 1HB CYS 48 12.797 -1.971 3.898
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 -7.665 12.505 -8.436
2 2H LYS 1 2HT LYS 1 -9.214 12.120 -7.807
3 3H LYS 1 3HT LYS 1 -8.550 11.191 -9.088
4 HA LYS 1 HA LYS 1 -7.057 10.153 -7.769
5 1HB LYS 1 2HB LYS 1 -6.054 12.093 -6.781
6 2HB LYS 1 1HB LYS 1 -7.517 12.463 -5.879
7 1HG LYS 1 2HG LYS 1 -7.200 10.570 -4.456
8 2HG LYS 1 1HG LYS 1 -5.856 9.993 -5.444
9 1HD LYS 1 2HD LYS 1 -4.410 11.280 -4.343
10 2HD LYS 1 1HD LYS 1 -5.406 12.713 -4.602
11 1HE LYS 1 2HE LYS 1 -6.663 12.306 -2.640
12 2HE LYS 1 1HE LYS 1 -6.016 10.674 -2.476
13 1HZ LYS 1 1HZ LYS 1 -4.096 11.426 -1.574
14 2HZ LYS 1 2HZ LYS 1 -5.091 12.703 -1.083
15 3HZ LYS 1 3HZ LYS 1 -4.102 12.878 -2.444
16 HA PRO 2 HA PRO 2 -11.248 8.584 -6.460
17 1HB PRO 2 2HB PRO 2 -9.765 6.108 -7.201
18 2HB PRO 2 1HB PRO 2 -11.425 6.583 -7.581
19 1HG PRO 2 2HG PRO 2 -9.521 6.704 -9.436
20 2HG PRO 2 1HG PRO 2 -10.769 7.959 -9.331
21 1HD PRO 2 2HD PRO 2 -7.911 8.048 -8.474
22 2HD PRO 2 1HD PRO 2 -8.918 9.327 -9.181
23 H ASP 3 H ASP 3 -11.371 6.226 -5.195
24 HA ASP 3 HA ASP 3 -9.324 6.210 -3.103
25 1HB ASP 3 2HB ASP 3 -12.246 6.748 -2.735
26 2HB ASP 3 1HB ASP 3 -11.365 5.883 -1.480
27 H ALA 4 H ALA 4 -8.810 4.206 -2.398
28 HA ALA 4 HA ALA 4 -10.580 1.983 -3.172
29 1HB ALA 4 1HB ALA 4 -8.032 0.918 -3.256
30 2HB ALA 4 2HB ALA 4 -7.848 2.506 -4.001
31 3HB ALA 4 3HB ALA 4 -9.026 1.362 -4.645
32 HA PRO 5 HA PRO 5 -10.365 1.255 1.262
33 1HB PRO 5 2HB PRO 5 -11.490 -1.342 0.334
34 2HB PRO 5 1HB PRO 5 -12.062 -0.258 1.608
35 1HG PRO 5 2HG PRO 5 -13.323 -0.379 -0.731
36 2HG PRO 5 1HG PRO 5 -13.111 1.168 0.110
37 1HD PRO 5 2HD PRO 5 -11.659 0.085 -2.265
38 2HD PRO 5 1HD PRO 5 -12.145 1.754 -1.901
39 H CYS 6 H CYS 6 -9.962 -1.231 2.317
40 HA CYS 6 HA CYS 6 -7.336 -1.981 1.224
41 1HB CYS 6 2HB CYS 6 -7.376 -2.830 3.880
42 2HB CYS 6 1HB CYS 6 -6.496 -1.454 3.226
43 H ILE 7 H ILE 7 -9.364 -3.279 0.102
44 HA ILE 7 HA ILE 7 -8.966 -5.973 1.105
45 HB ILE 7 HB ILE 7 -11.658 -4.685 0.826
46 1HG1 ILE 7 2HG1 ILE 7 -10.229 -6.165 3.036
47 2HG1 ILE 7 1HG1 ILE 7 -10.765 -4.488 3.033
48 1HG2 ILE 7 1HG2 ILE 7 -12.078 -7.354 1.495
49 2HG2 ILE 7 2HG2 ILE 7 -10.876 -7.408 0.206
50 3HG2 ILE 7 3HG2 ILE 7 -12.418 -6.596 -0.060
51 1HD1 ILE 7 1HD1 ILE 7 -12.098 -6.348 4.311
52 2HD1 ILE 7 2HD1 ILE 7 -12.803 -6.624 2.718
53 3HD1 ILE 7 3HD1 ILE 7 -12.932 -5.038 3.477
54 H CYS 8 H CYS 8 -7.753 -6.235 -0.786
55 HA CYS 8 HA CYS 8 -9.308 -6.284 -3.290
56 1HB CYS 8 2HB CYS 8 -6.569 -5.460 -2.642
57 2HB CYS 8 1HB CYS 8 -6.674 -6.535 -4.030
58 H THR 9 H THR 9 -7.074 -7.973 -1.220
59 HA THR 9 HA THR 9 -8.057 -10.537 -1.874
60 HB THR 9 HB THR 9 -6.830 -10.373 -3.898
61 HG1 THR 9 1HG THR 9 -6.189 -12.302 -3.413
62 1HG2 THR 9 1HG2 THR 9 -5.383 -8.438 -3.066
63 2HG2 THR 9 2HG2 THR 9 -4.676 -9.585 -4.205
64 3HG2 THR 9 3HG2 THR 9 -4.292 -9.697 -2.487
65 H MET 10 H MET 10 -6.434 -12.251 -0.961
66 HA MET 10 HA MET 10 -5.299 -11.139 1.509
67 1HB MET 10 2HB MET 10 -6.855 -13.625 0.953
68 2HB MET 10 1HB MET 10 -5.611 -13.695 2.190
69 1HG MET 10 2HG MET 10 -6.687 -12.105 3.527
70 2HG MET 10 1HG MET 10 -7.723 -11.572 2.204
71 1HE MET 10 1HE MET 10 -10.657 -13.768 2.158
72 2HE MET 10 2HE MET 10 -9.350 -14.124 1.029
73 3HE MET 10 3HE MET 10 -9.707 -12.453 1.466
74 H GLN 11 H GLN 11 -4.232 -11.696 -1.288
75 HA GLN 11 HA GLN 11 -2.295 -13.787 -0.972
76 1HB GLN 11 2HB GLN 11 -3.337 -12.426 -3.121
77 2HB GLN 11 1HB GLN 11 -1.726 -11.735 -2.992
78 1HG GLN 11 2HG GLN 11 -1.621 -14.595 -2.740
79 2HG GLN 11 1HG GLN 11 -2.458 -14.128 -4.218
80 1HE2 GLN 11 1HE2 GLN 11 -1.244 -12.044 -5.184
81 2HE2 GLN 11 2HE2 GLN 11 0.441 -12.315 -5.450
82 H TYR 12 H TYR 12 -1.875 -12.581 1.211
83 HA TYR 12 HA TYR 12 -0.642 -10.456 1.942
84 1HB TYR 12 2HB TYR 12 -0.613 -12.608 3.223
85 2HB TYR 12 1HB TYR 12 0.834 -13.061 2.329
86 HD1 TYR 12 1HD TYR 12 2.783 -12.815 3.526
87 HD2 TYR 12 2HD TYR 12 -0.360 -10.020 4.158
88 HE1 TYR 12 1HE TYR 12 4.176 -11.630 5.171
89 HE2 TYR 12 2HE TYR 12 1.022 -8.827 5.804
90 HH TYR 12 HH TYR 12 4.148 -9.001 6.048
91 H ASP 13 H ASP 13 0.075 -9.302 0.075
92 HA ASP 13 HA ASP 13 2.812 -10.017 -0.760
93 1HB ASP 13 2HB ASP 13 0.532 -9.428 -2.336
94 2HB ASP 13 1HB ASP 13 1.604 -8.037 -2.469
95 HA PRO 14 HA PRO 14 2.681 -6.232 2.044
96 1HB PRO 14 2HB PRO 14 5.115 -6.970 3.171
97 2HB PRO 14 1HB PRO 14 3.520 -7.262 3.869
98 1HG PRO 14 2HG PRO 14 5.257 -9.096 2.270
99 2HG PRO 14 1HG PRO 14 4.238 -9.456 3.678
100 1HD PRO 14 2HD PRO 14 3.446 -10.111 1.216
101 2HD PRO 14 1HD PRO 14 2.283 -9.484 2.406
102 H VAL 15 H VAL 15 3.045 -4.838 0.357
103 HA VAL 15 HA VAL 15 5.731 -4.677 -0.781
104 HB VAL 15 HB VAL 15 4.737 -3.170 -2.409
105 1HG1 VAL 15 1HG1 VAL 15 4.443 -5.792 -2.421
106 2HG1 VAL 15 2HG1 VAL 15 3.714 -4.777 -3.665
107 3HG1 VAL 15 3HG1 VAL 15 2.736 -5.359 -2.317
108 1HG2 VAL 15 1HG2 VAL 15 2.254 -3.465 -0.743
109 2HG2 VAL 15 2HG2 VAL 15 2.251 -2.828 -2.388
110 3HG2 VAL 15 3HG2 VAL 15 3.137 -1.985 -1.118
111 H CYS 16 H CYS 16 7.097 -3.251 -0.141
112 HA CYS 16 HA CYS 16 6.419 -1.357 1.889
113 1HB CYS 16 2HB CYS 16 8.723 -2.710 1.045
114 2HB CYS 16 1HB CYS 16 9.041 -1.004 0.817
115 H GLY 17 H GLY 17 5.671 0.610 1.554
116 1HA GLY 17 2HA GLY 17 6.080 1.740 -1.114
117 2HA GLY 17 1HA GLY 17 4.725 2.109 -0.073
118 H SER 18 H SER 18 6.694 3.745 -1.482
119 HA SER 18 HA SER 18 8.610 4.940 0.046
120 1HB SER 18 2HB SER 18 8.600 5.790 -2.091
121 2HB SER 18 1HB SER 18 6.841 5.879 -2.159
122 HG SER 18 HG SER 18 8.682 7.701 -1.111
123 H ASP 19 H ASP 19 8.146 5.097 2.115
124 HA ASP 19 HA ASP 19 7.198 7.398 3.228
125 1HB ASP 19 2HB ASP 19 4.963 7.033 2.535
126 2HB ASP 19 1HB ASP 19 5.033 5.318 2.929
127 H GLY 20 H GLY 20 7.728 4.001 3.376
128 1HA GLY 20 2HA GLY 20 9.220 3.059 4.972
129 2HA GLY 20 1HA GLY 20 8.697 4.278 6.129
130 H ILE 21 H ILE 21 6.503 2.467 4.063
131 HA ILE 21 HA ILE 21 5.667 0.936 6.445
132 HB ILE 21 HB ILE 21 3.852 2.443 4.577
133 1HG1 ILE 21 2HG1 ILE 21 4.964 3.703 6.442
134 2HG1 ILE 21 1HG1 ILE 21 3.205 3.690 6.525
135 1HG2 ILE 21 1HG2 ILE 21 2.037 1.526 6.082
136 2HG2 ILE 21 2HG2 ILE 21 3.232 0.364 6.656
137 3HG2 ILE 21 3HG2 ILE 21 2.766 0.381 4.955
138 1HD1 ILE 21 1HD1 ILE 21 3.916 3.329 8.714
139 2HD1 ILE 21 2HD1 ILE 21 5.166 2.189 8.216
140 3HD1 ILE 21 3HD1 ILE 21 3.467 1.728 8.126
141 H THR 22 H THR 22 5.116 -1.130 6.149
142 HA THR 22 HA THR 22 5.352 -2.210 3.438
143 HB THR 22 HB THR 22 5.069 -3.993 5.809
144 HG1 THR 22 1HG THR 22 6.552 -2.297 6.424
145 1HG2 THR 22 1HG2 THR 22 5.421 -4.868 3.511
146 2HG2 THR 22 2HG2 THR 22 6.648 -5.366 4.675
147 3HG2 THR 22 3HG2 THR 22 7.003 -4.089 3.512
148 H TYR 23 H TYR 23 3.451 -2.044 2.457
149 HA TYR 23 HA TYR 23 0.966 -2.497 3.857
150 1HB TYR 23 2HB TYR 23 1.430 -1.958 0.927
151 2HB TYR 23 1HB TYR 23 -0.058 -1.712 1.837
152 HD1 TYR 23 1HD TYR 23 -0.212 0.134 3.480
153 HD2 TYR 23 2HD TYR 23 3.230 -0.384 1.034
154 HE1 TYR 23 1HE TYR 23 0.533 2.408 4.048
155 HE2 TYR 23 2HE TYR 23 3.981 1.888 1.593
156 HH TYR 23 HH TYR 23 3.391 3.840 2.549
157 H GLY 24 H GLY 24 0.012 -4.388 4.049
158 1HA GLY 24 2HA GLY 24 0.876 -6.829 3.279
159 2HA GLY 24 1HA GLY 24 -0.832 -6.459 3.484
160 H ASN 25 H ASN 25 -0.693 -4.489 1.291
161 HA ASN 25 HA ASN 25 0.014 -5.900 -1.084
162 1HB ASN 25 2HB ASN 25 -2.915 -5.706 -0.354
163 2HB ASN 25 1HB ASN 25 -2.331 -6.074 -1.973
164 1HD2 ASN 25 1HD2 ASN 25 -3.776 -7.516 0.391
165 2HD2 ASN 25 2HD2 ASN 25 -3.010 -9.061 0.398
166 H ALA 26 H ALA 26 -0.050 -4.592 -2.917
167 HA ALA 26 HA ALA 26 0.238 -1.875 -2.656
168 1HB ALA 26 1HB ALA 26 0.829 -2.156 -4.782
169 2HB ALA 26 2HB ALA 26 -0.876 -2.270 -5.215
170 3HB ALA 26 3HB ALA 26 0.033 -3.730 -4.827
171 H CYS 27 H CYS 27 -2.646 -3.751 -2.822
172 HA CYS 27 HA CYS 27 -4.427 -1.557 -3.350
173 1HB CYS 27 2HB CYS 27 -4.660 -4.457 -2.938
174 2HB CYS 27 1HB CYS 27 -5.995 -3.525 -2.272
175 H MET 28 H MET 28 -3.615 -3.587 -0.537
176 HA MET 28 HA MET 28 -5.107 -2.312 1.417
177 1HB MET 28 2HB MET 28 -2.286 -3.388 1.483
178 2HB MET 28 1HB MET 28 -3.117 -2.824 2.918
179 1HG MET 28 2HG MET 28 -4.871 -4.614 1.686
180 2HG MET 28 1HG MET 28 -3.278 -5.363 1.610
181 1HE MET 28 1HE MET 28 -4.225 -7.406 4.469
182 2HE MET 28 2HE MET 28 -2.581 -6.998 3.979
183 3HE MET 28 3HE MET 28 -3.835 -7.218 2.759
184 H LEU 29 H LEU 29 -2.190 -1.503 -0.240
185 HA LEU 29 HA LEU 29 -1.335 0.791 1.062
186 1HB LEU 29 2HB LEU 29 -0.808 -0.601 -1.328
187 2HB LEU 29 1HB LEU 29 -1.128 1.051 -1.788
188 HG LEU 29 HG LEU 29 1.060 -0.014 -0.048
189 1HD1 LEU 29 1HD1 LEU 29 1.451 0.171 -2.445
190 2HD1 LEU 29 2HD1 LEU 29 2.437 1.328 -1.548
191 3HD1 LEU 29 3HD1 LEU 29 0.986 1.872 -2.393
192 1HD2 LEU 29 1HD2 LEU 29 0.168 1.796 1.247
193 2HD2 LEU 29 2HD2 LEU 29 0.022 2.810 -0.182
194 3HD2 LEU 29 3HD2 LEU 29 1.614 2.376 0.431
195 H LEU 30 H LEU 30 -3.434 0.419 -1.745
196 HA LEU 30 HA LEU 30 -4.139 3.035 -2.148
197 1HB LEU 30 2HB LEU 30 -5.516 0.424 -2.566
198 2HB LEU 30 1HB LEU 30 -6.482 1.878 -2.705
199 HG LEU 30 HG LEU 30 -3.962 1.378 -4.275
200 1HD1 LEU 30 1HD1 LEU 30 -6.505 1.358 -5.711
201 2HD1 LEU 30 2HD1 LEU 30 -6.311 0.011 -4.588
202 3HD1 LEU 30 3HD1 LEU 30 -5.111 0.285 -5.851
203 1HD2 LEU 30 1HD2 LEU 30 -5.232 3.176 -5.714
204 2HD2 LEU 30 2HD2 LEU 30 -4.229 3.653 -4.345
205 3HD2 LEU 30 3HD2 LEU 30 -5.981 3.565 -4.166
206 H CYS 31 H CYS 31 -5.150 0.801 0.356
207 HA CYS 31 HA CYS 31 -7.176 2.602 1.384
208 1HB CYS 31 2HB CYS 31 -7.093 0.020 1.666
209 2HB CYS 31 1HB CYS 31 -5.952 0.354 2.965
210 H ALA 32 H ALA 32 -3.820 1.875 1.870
211 HA ALA 32 HA ALA 32 -3.401 3.264 4.285
212 1HB ALA 32 1HB ALA 32 -1.000 3.400 3.383
213 2HB ALA 32 2HB ALA 32 -1.604 2.431 2.038
214 3HB ALA 32 3HB ALA 32 -1.684 1.802 3.684
215 H SER 33 H SER 33 -2.685 4.199 0.926
216 HA SER 33 HA SER 33 -2.047 6.866 1.436
217 1HB SER 33 2HB SER 33 -2.312 5.247 -0.830
218 2HB SER 33 1HB SER 33 -3.465 6.557 -1.082
219 HG SER 33 HG SER 33 -1.656 7.987 -0.525
220 H ALA 34 H ALA 34 -5.113 5.259 1.318
221 HA ALA 34 HA ALA 34 -6.708 7.595 0.931
222 1HB ALA 34 1HB ALA 34 -7.563 5.455 0.266
223 2HB ALA 34 2HB ALA 34 -8.594 6.115 1.534
224 3HB ALA 34 3HB ALA 34 -7.431 4.845 1.915
225 H ARG 35 H ARG 35 -5.540 5.873 3.785
226 HA ARG 35 HA ARG 35 -6.728 8.015 5.418
227 1HB ARG 35 2HB ARG 35 -6.562 5.808 7.114
228 2HB ARG 35 1HB ARG 35 -8.020 6.523 6.448
229 1HG ARG 35 2HG ARG 35 -8.413 4.487 5.634
230 2HG ARG 35 1HG ARG 35 -7.217 4.891 4.406
231 1HD ARG 35 2HD ARG 35 -7.003 3.111 6.766
232 2HD ARG 35 1HD ARG 35 -6.346 2.915 5.143
233 HE ARG 35 HE ARG 35 -4.837 4.895 6.014
234 1HH1 ARG 35 1HH1 ARG 35 -5.828 1.987 7.663
235 2HH1 ARG 35 2HH1 ARG 35 -4.410 1.913 8.652
236 1HH2 ARG 35 1HH2 ARG 35 -2.966 4.802 7.314
237 2HH2 ARG 35 2HH2 ARG 35 -2.784 3.512 8.456
238 H SER 36 H SER 36 -3.976 7.641 4.352
239 HA SER 36 HA SER 36 -2.438 7.117 6.767
240 1HB SER 36 2HB SER 36 -1.650 6.149 4.669
241 2HB SER 36 1HB SER 36 -1.533 7.750 3.949
242 HG SER 36 HG SER 36 0.058 6.570 5.941
243 H ASP 37 H ASP 37 -1.353 9.480 4.447
244 HA ASP 37 HA ASP 37 -2.215 11.834 5.659
245 1HB ASP 37 2HB ASP 37 -0.299 10.502 7.236
246 2HB ASP 37 1HB ASP 37 0.554 11.837 6.466
247 H THR 38 H THR 38 0.319 10.130 3.954
248 HA THR 38 HA THR 38 0.501 12.363 2.066
249 HB THR 38 HB THR 38 2.428 12.613 3.532
250 HG1 THR 38 1HG THR 38 3.202 13.147 1.642
251 1HG2 THR 38 1HG2 THR 38 2.523 9.748 3.415
252 2HG2 THR 38 2HG2 THR 38 3.371 10.861 4.489
253 3HG2 THR 38 3HG2 THR 38 4.068 10.446 2.923
254 HA PRO 39 HA PRO 39 -0.020 9.299 -1.047
255 1HB PRO 39 2HB PRO 39 1.694 10.330 -2.966
256 2HB PRO 39 1HB PRO 39 0.027 10.852 -2.709
257 1HG PRO 39 2HG PRO 39 2.572 12.089 -1.750
258 2HG PRO 39 1HG PRO 39 1.099 12.873 -2.354
259 1HD PRO 39 2HD PRO 39 1.651 12.771 0.266
260 2HD PRO 39 1HD PRO 39 -0.014 12.618 -0.334
261 H ILE 40 H ILE 40 0.976 7.526 0.000
262 HA ILE 40 HA ILE 40 3.825 7.178 -0.093
263 HB ILE 40 HB ILE 40 3.504 5.177 1.081
264 1HG1 ILE 40 2HG1 ILE 40 1.901 4.105 -0.400
265 2HG1 ILE 40 1HG1 ILE 40 1.328 4.027 1.262
266 1HG2 ILE 40 1HG2 ILE 40 1.176 6.893 1.917
267 2HG2 ILE 40 2HG2 ILE 40 2.861 7.235 2.312
268 3HG2 ILE 40 3HG2 ILE 40 2.091 5.772 2.925
269 1HD1 ILE 40 1HD1 ILE 40 0.310 5.699 -0.997
270 2HD1 ILE 40 2HD1 ILE 40 -0.033 6.114 0.682
271 3HD1 ILE 40 3HD1 ILE 40 -0.561 4.563 0.031
272 H GLU 41 H GLU 41 4.972 6.282 -1.666
273 HA GLU 41 HA GLU 41 3.549 5.033 -3.915
274 1HB GLU 41 2HB GLU 41 6.481 5.575 -3.968
275 2HB GLU 41 1HB GLU 41 5.309 5.635 -5.277
276 1HG GLU 41 2HG GLU 41 5.082 7.627 -3.085
277 2HG GLU 41 1HG GLU 41 6.369 7.820 -4.275
278 H LEU 42 H LEU 42 5.843 3.627 -4.869
279 HA LEU 42 HA LEU 42 6.040 1.500 -2.843
280 1HB LEU 42 2HB LEU 42 5.126 1.351 -5.570
281 2HB LEU 42 1HB LEU 42 6.487 0.291 -5.299
282 HG LEU 42 HG LEU 42 4.205 -0.745 -4.972
283 1HD1 LEU 42 1HD1 LEU 42 6.591 -0.970 -3.404
284 2HD1 LEU 42 2HD1 LEU 42 5.464 -2.225 -3.920
285 3HD1 LEU 42 3HD1 LEU 42 5.176 -1.344 -2.421
286 1HD2 LEU 42 1HD2 LEU 42 3.690 -0.101 -2.343
287 2HD2 LEU 42 2HD2 LEU 42 2.770 0.441 -3.748
288 3HD2 LEU 42 3HD2 LEU 42 4.051 1.456 -3.086
289 H VAL 43 H VAL 43 7.979 0.349 -2.717
290 HA VAL 43 HA VAL 43 10.219 1.424 -4.285
291 HB VAL 43 HB VAL 43 10.604 0.973 -1.352
292 1HG1 VAL 43 1HG1 VAL 43 12.006 2.700 -3.392
293 2HG1 VAL 43 2HG1 VAL 43 12.578 1.152 -2.770
294 3HG1 VAL 43 3HG1 VAL 43 12.457 2.545 -1.695
295 1HG2 VAL 43 1HG2 VAL 43 10.089 3.204 -0.814
296 2HG2 VAL 43 2HG2 VAL 43 8.725 2.620 -1.766
297 3HG2 VAL 43 3HG2 VAL 43 9.939 3.662 -2.510
298 H HIS 44 H HIS 44 8.993 -1.117 -2.175
299 HA HIS 44 HA HIS 44 10.489 -3.075 -3.652
300 1HB HIS 44 2HB HIS 44 11.095 -3.773 -0.989
301 2HB HIS 44 1HB HIS 44 12.220 -3.300 -2.259
302 HD1 HIS 44 1HD HIS 44 12.939 -0.767 -2.305
303 HD2 HIS 44 2HD HIS 44 10.692 -1.909 0.997
304 HE1 HIS 44 1HE HIS 44 13.174 1.114 -0.651
305 HE2 HIS 44 2HE HIS 44 11.714 0.454 1.286
306 H LYS 45 H LYS 45 9.175 -4.728 -3.957
307 HA LYS 45 HA LYS 45 6.719 -4.974 -2.543
308 1HB LYS 45 2HB LYS 45 6.284 -6.869 -3.962
309 2HB LYS 45 1HB LYS 45 7.031 -5.605 -4.929
310 1HG LYS 45 2HG LYS 45 9.236 -6.872 -4.401
311 2HG LYS 45 1HG LYS 45 8.157 -8.218 -4.035
312 1HD LYS 45 2HD LYS 45 8.327 -6.698 -6.635
313 2HD LYS 45 1HD LYS 45 8.876 -8.348 -6.341
314 1HE LYS 45 2HE LYS 45 6.835 -9.173 -6.672
315 2HE LYS 45 1HE LYS 45 6.113 -8.003 -5.569
316 1HZ LYS 45 1HZ LYS 45 5.176 -7.155 -7.387
317 2HZ LYS 45 2HZ LYS 45 6.204 -7.993 -8.436
318 3HZ LYS 45 3HZ LYS 45 6.699 -6.521 -7.766
319 H GLY 46 H GLY 46 8.001 -5.063 -0.413
320 1HA GLY 46 2HA GLY 46 7.662 -7.607 0.726
321 2HA GLY 46 1HA GLY 46 9.374 -7.365 0.396
322 H ARG 47 H ARG 47 9.576 -7.513 2.768
323 HA ARG 47 HA ARG 47 8.545 -5.237 4.244
324 1HB ARG 47 2HB ARG 47 10.491 -7.087 5.514
325 2HB ARG 47 1HB ARG 47 9.007 -6.399 6.160
326 1HG ARG 47 2HG ARG 47 7.775 -7.975 4.594
327 2HG ARG 47 1HG ARG 47 9.328 -8.780 4.364
328 1HD ARG 47 2HD ARG 47 9.469 -9.058 6.837
329 2HD ARG 47 1HD ARG 47 7.832 -8.413 6.954
330 HE ARG 47 HE ARG 47 7.455 -10.423 5.260
331 1HH1 ARG 47 1HH1 ARG 47 9.266 -10.294 8.232
332 2HH1 ARG 47 2HH1 ARG 47 8.995 -11.959 8.622
333 1HH2 ARG 47 1HH2 ARG 47 7.093 -12.617 5.764
334 2HH2 ARG 47 2HH2 ARG 47 7.761 -13.281 7.217
335 H CYS 48 H CYS 48 9.956 -4.073 2.466
336 HA CYS 48 HA CYS 48 11.868 -2.918 1.921
337 1HB CYS 48 2HB CYS 48 11.224 -2.401 4.782
338 2HB CYS 48 1HB CYS 48 12.652 -1.650 4.083
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 -6.989 11.303 -9.709
2 2H LYS 1 2HT LYS 1 -7.464 12.693 -8.821
3 3H LYS 1 3HT LYS 1 -8.511 11.337 -8.920
4 HA LYS 1 HA LYS 1 -6.189 10.331 -7.959
5 1HB LYS 1 2HB LYS 1 -6.795 13.087 -6.911
6 2HB LYS 1 1HB LYS 1 -5.987 11.893 -5.907
7 1HG LYS 1 2HG LYS 1 -4.397 11.700 -7.991
8 2HG LYS 1 1HG LYS 1 -5.004 13.323 -8.317
9 1HD LYS 1 2HD LYS 1 -3.219 13.859 -7.001
10 2HD LYS 1 1HD LYS 1 -4.440 13.643 -5.744
11 1HE LYS 1 2HE LYS 1 -3.518 11.100 -6.049
12 2HE LYS 1 1HE LYS 1 -2.060 12.042 -6.366
13 1HZ LYS 1 1HZ LYS 1 -3.509 12.991 -4.089
14 2HZ LYS 1 2HZ LYS 1 -1.876 12.570 -4.228
15 3HZ LYS 1 3HZ LYS 1 -3.032 11.376 -3.913
16 HA PRO 2 HA PRO 2 -10.337 9.260 -6.105
17 1HB PRO 2 2HB PRO 2 -10.344 6.666 -6.859
18 2HB PRO 2 1HB PRO 2 -10.913 7.960 -7.918
19 1HG PRO 2 2HG PRO 2 -8.267 6.559 -7.896
20 2HG PRO 2 1HG PRO 2 -9.289 6.996 -9.278
21 1HD PRO 2 2HD PRO 2 -7.128 8.458 -8.529
22 2HD PRO 2 1HD PRO 2 -8.563 9.181 -9.286
23 H ASP 3 H ASP 3 -10.716 7.045 -4.791
24 HA ASP 3 HA ASP 3 -8.287 6.391 -3.284
25 1HB ASP 3 2HB ASP 3 -10.495 7.970 -2.318
26 2HB ASP 3 1HB ASP 3 -10.386 6.471 -1.399
27 H ALA 4 H ALA 4 -8.482 4.412 -2.010
28 HA ALA 4 HA ALA 4 -10.711 2.669 -2.764
29 1HB ALA 4 1HB ALA 4 -9.518 1.450 -4.180
30 2HB ALA 4 2HB ALA 4 -8.328 1.122 -2.919
31 3HB ALA 4 3HB ALA 4 -8.149 2.537 -3.956
32 HA PRO 5 HA PRO 5 -10.340 1.250 1.403
33 1HB PRO 5 2HB PRO 5 -11.507 -1.178 1.202
34 2HB PRO 5 1HB PRO 5 -12.428 0.325 1.077
35 1HG PRO 5 2HG PRO 5 -11.432 -1.473 -1.096
36 2HG PRO 5 1HG PRO 5 -13.004 -0.667 -0.942
37 1HD PRO 5 2HD PRO 5 -10.992 0.271 -2.522
38 2HD PRO 5 1HD PRO 5 -12.202 1.323 -1.760
39 H CYS 6 H CYS 6 -9.992 -1.291 2.337
40 HA CYS 6 HA CYS 6 -7.366 -2.056 1.252
41 1HB CYS 6 2HB CYS 6 -7.405 -2.947 3.884
42 2HB CYS 6 1HB CYS 6 -6.527 -1.554 3.268
43 H ILE 7 H ILE 7 -9.449 -3.263 0.116
44 HA ILE 7 HA ILE 7 -9.148 -5.995 1.068
45 HB ILE 7 HB ILE 7 -11.782 -4.593 0.781
46 1HG1 ILE 7 2HG1 ILE 7 -10.571 -4.698 2.998
47 2HG1 ILE 7 1HG1 ILE 7 -12.198 -5.373 3.001
48 1HG2 ILE 7 1HG2 ILE 7 -12.568 -6.433 -0.238
49 2HG2 ILE 7 2HG2 ILE 7 -12.388 -7.229 1.325
50 3HG2 ILE 7 3HG2 ILE 7 -11.107 -7.353 0.120
51 1HD1 ILE 7 1HD1 ILE 7 -11.382 -7.246 3.835
52 2HD1 ILE 7 2HD1 ILE 7 -9.743 -6.602 3.737
53 3HD1 ILE 7 3HD1 ILE 7 -10.432 -7.474 2.367
54 H CYS 8 H CYS 8 -7.842 -6.062 -0.850
55 HA CYS 8 HA CYS 8 -9.337 -6.030 -3.379
56 1HB CYS 8 2HB CYS 8 -6.613 -5.362 -2.602
57 2HB CYS 8 1HB CYS 8 -6.665 -6.465 -3.970
58 H THR 9 H THR 9 -7.303 -7.946 -1.303
59 HA THR 9 HA THR 9 -8.452 -10.409 -2.064
60 HB THR 9 HB THR 9 -7.113 -10.155 -4.072
61 HG1 THR 9 1HG THR 9 -7.039 -12.229 -3.595
62 1HG2 THR 9 1HG2 THR 9 -4.538 -10.313 -3.661
63 2HG2 THR 9 2HG2 THR 9 -4.948 -9.450 -2.178
64 3HG2 THR 9 3HG2 THR 9 -5.354 -8.752 -3.745
65 H MET 10 H MET 10 -6.342 -12.086 -1.479
66 HA MET 10 HA MET 10 -5.480 -11.228 1.190
67 1HB MET 10 2HB MET 10 -7.150 -13.523 0.468
68 2HB MET 10 1HB MET 10 -5.733 -13.981 1.401
69 1HG MET 10 2HG MET 10 -7.677 -11.844 2.238
70 2HG MET 10 1HG MET 10 -7.778 -13.528 2.749
71 1HE MET 10 1HE MET 10 -6.729 -10.945 5.509
72 2HE MET 10 2HE MET 10 -7.159 -12.625 5.831
73 3HE MET 10 3HE MET 10 -8.068 -11.695 4.640
74 H GLN 11 H GLN 11 -4.357 -11.530 -1.634
75 HA GLN 11 HA GLN 11 -2.367 -13.573 -1.485
76 1HB GLN 11 2HB GLN 11 -2.680 -11.139 -3.246
77 2HB GLN 11 1HB GLN 11 -1.332 -12.256 -3.400
78 1HG GLN 11 2HG GLN 11 -3.718 -13.779 -3.386
79 2HG GLN 11 1HG GLN 11 -3.928 -12.442 -4.517
80 1HE2 GLN 11 1HE2 GLN 11 -2.650 -15.506 -4.060
81 2HE2 GLN 11 2HE2 GLN 11 -1.679 -15.597 -5.486
82 H TYR 12 H TYR 12 -2.043 -12.629 0.857
83 HA TYR 12 HA TYR 12 -0.845 -10.504 1.764
84 1HB TYR 12 2HB TYR 12 -0.917 -12.991 2.716
85 2HB TYR 12 1HB TYR 12 0.793 -12.925 2.301
86 HD1 TYR 12 1HD TYR 12 0.615 -9.734 2.878
87 HD2 TYR 12 2HD TYR 12 -0.139 -13.290 5.089
88 HE1 TYR 12 1HE TYR 12 1.076 -8.523 4.968
89 HE2 TYR 12 2HE TYR 12 0.319 -12.089 7.186
90 HH TYR 12 HH TYR 12 0.156 -9.359 7.818
91 H ASP 13 H ASP 13 0.094 -9.267 0.134
92 HA ASP 13 HA ASP 13 2.845 -10.063 -0.556
93 1HB ASP 13 2HB ASP 13 0.705 -9.445 -2.307
94 2HB ASP 13 1HB ASP 13 1.827 -8.088 -2.376
95 HA PRO 14 HA PRO 14 2.753 -6.281 2.190
96 1HB PRO 14 2HB PRO 14 5.192 -6.987 3.305
97 2HB PRO 14 1HB PRO 14 3.606 -7.341 3.996
98 1HG PRO 14 2HG PRO 14 5.397 -9.091 2.364
99 2HG PRO 14 1HG PRO 14 4.396 -9.507 3.768
100 1HD PRO 14 2HD PRO 14 3.622 -10.135 1.286
101 2HD PRO 14 1HD PRO 14 2.444 -9.596 2.503
102 H VAL 15 H VAL 15 3.096 -4.882 0.473
103 HA VAL 15 HA VAL 15 5.769 -4.700 -0.694
104 HB VAL 15 HB VAL 15 4.801 -3.322 -2.357
105 1HG1 VAL 15 1HG1 VAL 15 2.414 -4.916 -2.323
106 2HG1 VAL 15 2HG1 VAL 15 3.812 -5.883 -1.853
107 3HG1 VAL 15 3HG1 VAL 15 3.813 -5.021 -3.392
108 1HG2 VAL 15 1HG2 VAL 15 3.492 -1.776 -1.207
109 2HG2 VAL 15 2HG2 VAL 15 2.524 -3.035 -0.439
110 3HG2 VAL 15 3HG2 VAL 15 2.320 -2.689 -2.156
111 H CYS 16 H CYS 16 7.151 -3.281 -0.070
112 HA CYS 16 HA CYS 16 6.525 -1.427 2.015
113 1HB CYS 16 2HB CYS 16 8.807 -2.741 1.054
114 2HB CYS 16 1HB CYS 16 9.100 -1.028 0.853
115 H GLY 17 H GLY 17 5.710 0.534 1.693
116 1HA GLY 17 2HA GLY 17 6.074 1.736 -0.954
117 2HA GLY 17 1HA GLY 17 4.755 2.097 0.140
118 H SER 18 H SER 18 6.773 3.721 -1.275
119 HA SER 18 HA SER 18 8.710 4.799 0.332
120 1HB SER 18 2HB SER 18 8.531 5.417 -2.013
121 2HB SER 18 1HB SER 18 6.986 6.209 -1.718
122 HG SER 18 HG SER 18 9.468 7.194 -1.441
123 H ASP 19 H ASP 19 8.218 4.991 2.351
124 HA ASP 19 HA ASP 19 7.281 7.329 3.442
125 1HB ASP 19 2HB ASP 19 5.055 6.513 2.545
126 2HB ASP 19 1HB ASP 19 5.168 5.175 3.684
127 H GLY 20 H GLY 20 7.775 3.916 3.616
128 1HA GLY 20 2HA GLY 20 9.391 3.046 5.169
129 2HA GLY 20 1HA GLY 20 8.809 4.215 6.350
130 H ILE 21 H ILE 21 6.654 2.345 4.278
131 HA ILE 21 HA ILE 21 6.018 0.671 6.617
132 HB ILE 21 HB ILE 21 3.989 2.181 4.984
133 1HG1 ILE 21 2HG1 ILE 21 5.302 3.483 6.699
134 2HG1 ILE 21 1HG1 ILE 21 3.561 3.459 6.964
135 1HG2 ILE 21 1HG2 ILE 21 2.595 0.535 5.544
136 2HG2 ILE 21 2HG2 ILE 21 2.731 1.112 7.205
137 3HG2 ILE 21 3HG2 ILE 21 3.773 -0.192 6.637
138 1HD1 ILE 21 1HD1 ILE 21 3.763 2.419 8.929
139 2HD1 ILE 21 2HD1 ILE 21 5.445 2.942 8.850
140 3HD1 ILE 21 3HD1 ILE 21 5.004 1.316 8.331
141 H THR 22 H THR 22 5.367 -1.367 6.235
142 HA THR 22 HA THR 22 5.466 -2.296 3.456
143 HB THR 22 HB THR 22 5.416 -4.048 5.907
144 HG1 THR 22 1HG THR 22 7.166 -2.769 6.256
145 1HG2 THR 22 1HG2 THR 22 5.121 -5.142 3.720
146 2HG2 THR 22 2HG2 THR 22 6.598 -5.635 4.546
147 3HG2 THR 22 3HG2 THR 22 6.675 -4.485 3.212
148 H TYR 23 H TYR 23 3.504 -2.097 2.585
149 HA TYR 23 HA TYR 23 1.104 -2.610 4.098
150 1HB TYR 23 2HB TYR 23 1.424 -1.966 1.170
151 2HB TYR 23 1HB TYR 23 -0.024 -1.764 2.154
152 HD1 TYR 23 1HD TYR 23 0.024 -0.069 4.041
153 HD2 TYR 23 2HD TYR 23 3.103 -0.319 1.115
154 HE1 TYR 23 1HE TYR 23 0.822 2.166 4.687
155 HE2 TYR 23 2HE TYR 23 3.901 1.915 1.750
156 HH TYR 23 HH TYR 23 3.759 3.545 3.322
157 H GLY 24 H GLY 24 0.087 -4.470 4.230
158 1HA GLY 24 2HA GLY 24 0.919 -6.905 3.401
159 2HA GLY 24 1HA GLY 24 -0.780 -6.522 3.639
160 H ASN 25 H ASN 25 -0.622 -4.501 1.472
161 HA ASN 25 HA ASN 25 0.026 -5.895 -0.924
162 1HB ASN 25 2HB ASN 25 -2.881 -5.682 -0.133
163 2HB ASN 25 1HB ASN 25 -2.355 -5.961 -1.789
164 1HD2 ASN 25 1HD2 ASN 25 -3.814 -7.553 0.409
165 2HD2 ASN 25 2HD2 ASN 25 -3.037 -9.091 0.351
166 H ALA 26 H ALA 26 -0.044 -4.600 -2.752
167 HA ALA 26 HA ALA 26 0.299 -1.881 -2.481
168 1HB ALA 26 1HB ALA 26 -0.548 -3.550 -4.832
169 2HB ALA 26 2HB ALA 26 1.028 -2.833 -4.498
170 3HB ALA 26 3HB ALA 26 -0.328 -1.806 -4.966
171 H CYS 27 H CYS 27 -2.598 -3.741 -2.679
172 HA CYS 27 HA CYS 27 -4.357 -1.528 -3.176
173 1HB CYS 27 2HB CYS 27 -4.619 -4.443 -2.792
174 2HB CYS 27 1HB CYS 27 -5.982 -3.486 -2.226
175 H MET 28 H MET 28 -3.515 -3.597 -0.404
176 HA MET 28 HA MET 28 -5.043 -2.383 1.570
177 1HB MET 28 2HB MET 28 -2.183 -3.371 1.670
178 2HB MET 28 1HB MET 28 -3.113 -2.934 3.089
179 1HG MET 28 2HG MET 28 -4.634 -4.769 1.547
180 2HG MET 28 1HG MET 28 -3.009 -5.416 1.768
181 1HE MET 28 1HE MET 28 -2.632 -6.728 4.850
182 2HE MET 28 2HE MET 28 -2.681 -6.925 3.097
183 3HE MET 28 3HE MET 28 -3.978 -7.583 4.095
184 H LEU 29 H LEU 29 -2.122 -1.529 -0.044
185 HA LEU 29 HA LEU 29 -1.296 0.767 1.276
186 1HB LEU 29 2HB LEU 29 -0.746 -0.617 -1.124
187 2HB LEU 29 1HB LEU 29 -1.046 1.043 -1.568
188 HG LEU 29 HG LEU 29 1.142 -0.090 0.111
189 1HD1 LEU 29 1HD1 LEU 29 1.147 2.135 -1.914
190 2HD1 LEU 29 2HD1 LEU 29 1.356 0.436 -2.342
191 3HD1 LEU 29 3HD1 LEU 29 2.529 1.233 -1.291
192 1HD2 LEU 29 1HD2 LEU 29 -0.107 2.617 0.360
193 2HD2 LEU 29 2HD2 LEU 29 1.605 2.379 0.693
194 3HD2 LEU 29 3HD2 LEU 29 0.394 1.510 1.631
195 H LEU 30 H LEU 30 -3.402 0.364 -1.527
196 HA LEU 30 HA LEU 30 -4.117 2.982 -1.950
197 1HB LEU 30 2HB LEU 30 -5.519 0.376 -2.339
198 2HB LEU 30 1HB LEU 30 -6.455 1.843 -2.509
199 HG LEU 30 HG LEU 30 -3.985 1.135 -4.086
200 1HD1 LEU 30 1HD1 LEU 30 -5.455 0.834 -5.956
201 2HD1 LEU 30 2HD1 LEU 30 -6.851 1.321 -4.995
202 3HD1 LEU 30 3HD1 LEU 30 -6.013 -0.187 -4.632
203 1HD2 LEU 30 1HD2 LEU 30 -3.855 3.259 -4.702
204 2HD2 LEU 30 2HD2 LEU 30 -5.122 3.655 -3.541
205 3HD2 LEU 30 3HD2 LEU 30 -5.544 3.251 -5.205
206 H CYS 31 H CYS 31 -5.116 0.737 0.553
207 HA CYS 31 HA CYS 31 -7.169 2.477 1.600
208 1HB CYS 31 2HB CYS 31 -7.115 -0.025 1.947
209 2HB CYS 31 1HB CYS 31 -5.763 0.224 3.047
210 H ALA 32 H ALA 32 -3.767 1.918 2.070
211 HA ALA 32 HA ALA 32 -3.416 3.394 4.455
212 1HB ALA 32 1HB ALA 32 -1.185 3.418 2.547
213 2HB ALA 32 2HB ALA 32 -1.805 1.814 2.940
214 3HB ALA 32 3HB ALA 32 -1.234 2.880 4.226
215 H SER 33 H SER 33 -2.743 4.239 1.063
216 HA SER 33 HA SER 33 -2.188 6.942 1.463
217 1HB SER 33 2HB SER 33 -2.708 5.193 -0.780
218 2HB SER 33 1HB SER 33 -3.507 6.746 -1.025
219 HG SER 33 HG SER 33 -1.119 6.366 -1.618
220 H ALA 34 H ALA 34 -5.168 5.217 1.540
221 HA ALA 34 HA ALA 34 -6.830 7.556 1.162
222 1HB ALA 34 1HB ALA 34 -7.986 5.038 2.205
223 2HB ALA 34 2HB ALA 34 -7.266 4.993 0.596
224 3HB ALA 34 3HB ALA 34 -8.573 6.124 0.945
225 H ARG 35 H ARG 35 -5.301 6.008 3.830
226 HA ARG 35 HA ARG 35 -6.888 7.690 5.655
227 1HB ARG 35 2HB ARG 35 -7.261 5.986 7.177
228 2HB ARG 35 1HB ARG 35 -7.428 5.140 5.645
229 1HG ARG 35 2HG ARG 35 -4.973 4.521 5.900
230 2HG ARG 35 1HG ARG 35 -5.126 5.075 7.567
231 1HD ARG 35 2HD ARG 35 -6.940 3.011 6.339
232 2HD ARG 35 1HD ARG 35 -5.452 2.602 7.191
233 HE ARG 35 HE ARG 35 -6.678 4.069 9.028
234 1HH1 ARG 35 1HH1 ARG 35 -7.928 1.552 6.970
235 2HH1 ARG 35 2HH1 ARG 35 -9.130 1.041 8.106
236 1HH2 ARG 35 1HH2 ARG 35 -8.262 3.410 10.529
237 2HH2 ARG 35 2HH2 ARG 35 -9.325 2.102 10.128
238 H SER 36 H SER 36 -4.073 7.701 4.397
239 HA SER 36 HA SER 36 -2.491 7.735 6.854
240 1HB SER 36 2HB SER 36 -1.648 6.430 4.937
241 2HB SER 36 1HB SER 36 -1.569 7.898 3.976
242 HG SER 36 HG SER 36 0.014 7.100 6.147
243 H ASP 37 H ASP 37 -1.533 9.674 4.129
244 HA ASP 37 HA ASP 37 -2.680 12.119 4.792
245 1HB ASP 37 2HB ASP 37 -1.474 11.894 6.916
246 2HB ASP 37 1HB ASP 37 0.043 11.691 6.044
247 H THR 38 H THR 38 0.086 10.368 3.567
248 HA THR 38 HA THR 38 0.305 12.341 1.392
249 HB THR 38 HB THR 38 2.271 12.682 2.650
250 HG1 THR 38 1HG THR 38 3.605 12.379 1.061
251 1HG2 THR 38 1HG2 THR 38 2.975 9.779 2.681
252 2HG2 THR 38 2HG2 THR 38 1.995 10.493 3.963
253 3HG2 THR 38 3HG2 THR 38 3.624 11.097 3.656
254 HA PRO 39 HA PRO 39 -0.305 8.937 -1.335
255 1HB PRO 39 2HB PRO 39 1.010 9.823 -3.539
256 2HB PRO 39 1HB PRO 39 -0.545 10.481 -3.020
257 1HG PRO 39 2HG PRO 39 2.210 11.574 -2.605
258 2HG PRO 39 1HG PRO 39 0.721 12.429 -3.048
259 1HD PRO 39 2HD PRO 39 1.709 12.410 -0.522
260 2HD PRO 39 1HD PRO 39 -0.028 12.511 -0.874
261 H ILE 40 H ILE 40 0.993 7.429 -0.101
262 HA ILE 40 HA ILE 40 3.725 7.135 -0.129
263 HB ILE 40 HB ILE 40 3.301 4.687 0.134
264 1HG1 ILE 40 2HG1 ILE 40 0.950 5.304 -1.240
265 2HG1 ILE 40 1HG1 ILE 40 1.376 3.755 -0.531
266 1HG2 ILE 40 1HG2 ILE 40 3.300 6.208 2.048
267 2HG2 ILE 40 2HG2 ILE 40 2.153 4.890 2.273
268 3HG2 ILE 40 3HG2 ILE 40 1.576 6.494 1.821
269 1HD1 ILE 40 1HD1 ILE 40 0.268 4.447 1.557
270 2HD1 ILE 40 2HD1 ILE 40 -0.826 4.406 0.175
271 3HD1 ILE 40 3HD1 ILE 40 -0.215 5.949 0.769
272 H GLU 41 H GLU 41 5.192 5.971 -1.432
273 HA GLU 41 HA GLU 41 4.185 5.239 -4.105
274 1HB GLU 41 2HB GLU 41 6.362 7.140 -3.398
275 2HB GLU 41 1HB GLU 41 6.597 6.118 -4.810
276 1HG GLU 41 2HG GLU 41 4.486 6.945 -5.743
277 2HG GLU 41 1HG GLU 41 4.293 7.994 -4.340
278 H LEU 42 H LEU 42 4.345 3.077 -4.007
279 HA LEU 42 HA LEU 42 5.769 1.353 -2.643
280 1HB LEU 42 2HB LEU 42 4.790 1.327 -5.338
281 2HB LEU 42 1HB LEU 42 6.248 0.378 -5.201
282 HG LEU 42 HG LEU 42 4.148 -0.934 -4.890
283 1HD1 LEU 42 1HD1 LEU 42 5.202 -1.408 -2.302
284 2HD1 LEU 42 2HD1 LEU 42 6.536 -0.973 -3.370
285 3HD1 LEU 42 3HD1 LEU 42 5.475 -2.317 -3.789
286 1HD2 LEU 42 1HD2 LEU 42 3.940 0.773 -2.418
287 2HD2 LEU 42 2HD2 LEU 42 3.016 -0.703 -2.696
288 3HD2 LEU 42 3HD2 LEU 42 2.792 0.689 -3.754
289 H VAL 43 H VAL 43 7.761 0.397 -2.546
290 HA VAL 43 HA VAL 43 9.928 1.700 -4.032
291 HB VAL 43 HB VAL 43 11.226 1.251 -1.787
292 1HG1 VAL 43 1HG1 VAL 43 11.189 3.408 -2.761
293 2HG1 VAL 43 2HG1 VAL 43 10.660 3.606 -1.089
294 3HG1 VAL 43 3HG1 VAL 43 9.476 3.614 -2.396
295 1HG2 VAL 43 1HG2 VAL 43 8.394 1.651 -0.862
296 2HG2 VAL 43 2HG2 VAL 43 9.815 1.815 0.169
297 3HG2 VAL 43 3HG2 VAL 43 9.426 0.255 -0.557
298 H HIS 44 H HIS 44 9.030 -1.042 -1.966
299 HA HIS 44 HA HIS 44 10.417 -2.842 -3.747
300 1HB HIS 44 2HB HIS 44 11.191 -3.721 -1.177
301 2HB HIS 44 1HB HIS 44 12.228 -3.152 -2.480
302 HD1 HIS 44 1HD HIS 44 13.102 -0.729 -2.327
303 HD2 HIS 44 2HD HIS 44 10.750 -1.897 0.892
304 HE1 HIS 44 1HE HIS 44 13.417 1.052 -0.585
305 HE2 HIS 44 2HE HIS 44 11.855 0.417 1.275
306 H LYS 45 H LYS 45 9.167 -4.534 -4.075
307 HA LYS 45 HA LYS 45 6.775 -4.944 -2.599
308 1HB LYS 45 2HB LYS 45 7.890 -7.062 -4.390
309 2HB LYS 45 1HB LYS 45 6.226 -6.533 -4.189
310 1HG LYS 45 2HG LYS 45 7.473 -4.297 -5.198
311 2HG LYS 45 1HG LYS 45 8.258 -5.627 -6.054
312 1HD LYS 45 2HD LYS 45 6.016 -6.508 -6.645
313 2HD LYS 45 1HD LYS 45 5.293 -5.090 -5.880
314 1HE LYS 45 2HE LYS 45 6.446 -3.636 -7.457
315 2HE LYS 45 1HE LYS 45 7.220 -5.035 -8.202
316 1HZ LYS 45 1HZ LYS 45 4.557 -3.997 -8.565
317 2HZ LYS 45 2HZ LYS 45 4.599 -5.670 -8.321
318 3HZ LYS 45 3HZ LYS 45 5.484 -4.978 -9.584
319 H GLY 46 H GLY 46 8.032 -5.099 -0.488
320 1HA GLY 46 2HA GLY 46 7.849 -7.701 0.520
321 2HA GLY 46 1HA GLY 46 9.543 -7.378 0.165
322 H ARG 47 H ARG 47 9.908 -7.579 2.476
323 HA ARG 47 HA ARG 47 8.805 -5.419 4.098
324 1HB ARG 47 2HB ARG 47 10.833 -7.221 5.292
325 2HB ARG 47 1HB ARG 47 9.310 -6.647 5.953
326 1HG ARG 47 2HG ARG 47 8.115 -8.387 5.081
327 2HG ARG 47 1HG ARG 47 9.231 -8.633 3.740
328 1HD ARG 47 2HD ARG 47 10.752 -9.127 6.011
329 2HD ARG 47 1HD ARG 47 9.188 -9.862 6.358
330 HE ARG 47 HE ARG 47 9.828 -11.538 4.966
331 1HH1 ARG 47 1HH1 ARG 47 11.280 -8.585 3.822
332 2HH1 ARG 47 2HH1 ARG 47 12.078 -9.345 2.487
333 1HH2 ARG 47 1HH2 ARG 47 10.872 -12.545 3.210
334 2HH2 ARG 47 2HH2 ARG 47 11.848 -11.596 2.139
335 H CYS 48 H CYS 48 10.125 -4.172 2.330
336 HA CYS 48 HA CYS 48 11.980 -2.941 1.769
337 1HB CYS 48 2HB CYS 48 11.424 -2.556 4.667
338 2HB CYS 48 1HB CYS 48 12.835 -1.765 3.971
Start of MODEL 20
1 1H LYS 1 1HT LYS 1 -12.968 8.370 -7.396
2 2H LYS 1 2HT LYS 1 -11.831 7.436 -6.515
3 3H LYS 1 3HT LYS 1 -11.510 7.868 -8.144
4 HA LYS 1 HA LYS 1 -10.440 9.591 -7.424
5 1HB LYS 1 2HB LYS 1 -13.281 10.165 -7.007
6 2HB LYS 1 1HB LYS 1 -12.224 11.168 -6.024
7 1HG LYS 1 2HG LYS 1 -12.587 12.370 -8.004
8 2HG LYS 1 1HG LYS 1 -10.963 11.693 -8.152
9 1HD LYS 1 2HD LYS 1 -11.883 11.246 -10.231
10 2HD LYS 1 1HD LYS 1 -12.161 9.736 -9.360
11 1HE LYS 1 2HE LYS 1 -14.337 11.565 -8.925
12 2HE LYS 1 1HE LYS 1 -14.060 11.342 -10.651
13 1HZ LYS 1 1HZ LYS 1 -14.302 8.998 -10.407
14 2HZ LYS 1 2HZ LYS 1 -15.631 9.726 -9.658
15 3HZ LYS 1 3HZ LYS 1 -14.366 9.109 -8.720
16 HA PRO 2 HA PRO 2 -10.762 9.796 -2.654
17 1HB PRO 2 2HB PRO 2 -12.878 8.669 -1.407
18 2HB PRO 2 1HB PRO 2 -12.928 10.310 -2.060
19 1HG PRO 2 2HG PRO 2 -13.982 7.769 -3.241
20 2HG PRO 2 1HG PRO 2 -14.741 9.370 -3.176
21 1HD PRO 2 2HD PRO 2 -13.484 8.415 -5.390
22 2HD PRO 2 1HD PRO 2 -13.553 10.143 -4.988
23 H ASP 3 H ASP 3 -11.168 8.038 -0.680
24 HA ASP 3 HA ASP 3 -9.292 6.162 -0.766
25 1HB ASP 3 2HB ASP 3 -11.947 5.436 0.455
26 2HB ASP 3 1HB ASP 3 -10.332 5.038 1.029
27 H ALA 4 H ALA 4 -8.876 4.251 -1.686
28 HA ALA 4 HA ALA 4 -10.969 3.123 -3.418
29 1HB ALA 4 1HB ALA 4 -8.047 3.502 -3.755
30 2HB ALA 4 2HB ALA 4 -9.358 3.702 -4.918
31 3HB ALA 4 3HB ALA 4 -8.789 2.085 -4.500
32 HA PRO 5 HA PRO 5 -11.212 -0.139 -0.336
33 1HB PRO 5 2HB PRO 5 -12.145 -1.448 -2.870
34 2HB PRO 5 1HB PRO 5 -12.821 -1.555 -1.238
35 1HG PRO 5 2HG PRO 5 -13.908 0.042 -3.098
36 2HG PRO 5 1HG PRO 5 -13.863 0.499 -1.387
37 1HD PRO 5 2HD PRO 5 -12.340 1.596 -3.660
38 2HD PRO 5 1HD PRO 5 -12.694 2.325 -2.081
39 H CYS 6 H CYS 6 -9.472 -1.174 0.263
40 HA CYS 6 HA CYS 6 -7.501 -2.088 -1.643
41 1HB CYS 6 2HB CYS 6 -6.315 -2.803 0.514
42 2HB CYS 6 1HB CYS 6 -6.586 -1.079 0.281
43 H ILE 7 H ILE 7 -8.933 -3.697 -2.640
44 HA ILE 7 HA ILE 7 -8.863 -6.210 -1.119
45 HB ILE 7 HB ILE 7 -11.089 -5.354 -2.960
46 1HG1 ILE 7 2HG1 ILE 7 -10.921 -4.304 -0.604
47 2HG1 ILE 7 1HG1 ILE 7 -12.451 -5.039 -1.072
48 1HG2 ILE 7 1HG2 ILE 7 -10.313 -7.921 -1.715
49 2HG2 ILE 7 2HG2 ILE 7 -11.158 -7.603 -3.230
50 3HG2 ILE 7 3HG2 ILE 7 -12.032 -7.521 -1.700
51 1HD1 ILE 7 1HD1 ILE 7 -11.739 -7.098 0.138
52 2HD1 ILE 7 2HD1 ILE 7 -11.974 -5.681 1.163
53 3HD1 ILE 7 3HD1 ILE 7 -10.344 -6.196 0.731
54 H CYS 8 H CYS 8 -6.778 -5.695 -2.687
55 HA CYS 8 HA CYS 8 -7.172 -6.622 -5.385
56 1HB CYS 8 2HB CYS 8 -4.765 -5.931 -3.715
57 2HB CYS 8 1HB CYS 8 -4.593 -6.671 -5.299
58 H THR 9 H THR 9 -6.086 -7.892 -2.331
59 HA THR 9 HA THR 9 -6.657 -10.572 -3.010
60 HB THR 9 HB THR 9 -4.664 -10.698 -4.196
61 HG1 THR 9 1HG THR 9 -3.365 -12.005 -2.955
62 1HG2 THR 9 1HG2 THR 9 -3.818 -8.445 -3.348
63 2HG2 THR 9 2HG2 THR 9 -2.628 -9.683 -3.747
64 3HG2 THR 9 3HG2 THR 9 -3.051 -9.377 -2.063
65 H MET 10 H MET 10 -6.895 -11.780 -1.199
66 HA MET 10 HA MET 10 -6.371 -10.424 1.327
67 1HB MET 10 2HB MET 10 -8.178 -12.651 0.468
68 2HB MET 10 1HB MET 10 -7.722 -12.519 2.159
69 1HG MET 10 2HG MET 10 -8.575 -10.183 2.140
70 2HG MET 10 1HG MET 10 -9.168 -10.468 0.503
71 1HE MET 10 1HE MET 10 -12.015 -9.847 2.129
72 2HE MET 10 2HE MET 10 -12.532 -11.160 1.071
73 3HE MET 10 3HE MET 10 -11.261 -10.054 0.548
74 H GLN 11 H GLN 11 -4.368 -11.859 -0.447
75 HA GLN 11 HA GLN 11 -3.610 -14.110 1.205
76 1HB GLN 11 2HB GLN 11 -3.012 -13.222 -1.463
77 2HB GLN 11 1HB GLN 11 -1.522 -13.565 -0.600
78 1HG GLN 11 2HG GLN 11 -3.829 -15.476 -0.786
79 2HG GLN 11 1HG GLN 11 -2.424 -15.496 -1.851
80 1HE2 GLN 11 1HE2 GLN 11 -3.354 -17.555 -0.033
81 2HE2 GLN 11 2HE2 GLN 11 -2.063 -17.848 1.077
82 H TYR 12 H TYR 12 -1.013 -12.098 0.016
83 HA TYR 12 HA TYR 12 -0.559 -10.501 2.237
84 1HB TYR 12 2HB TYR 12 -0.394 -12.831 3.300
85 2HB TYR 12 1HB TYR 12 1.122 -12.994 2.421
86 HD1 TYR 12 1HD TYR 12 -0.415 -10.163 4.324
87 HD2 TYR 12 2HD TYR 12 2.887 -12.809 3.891
88 HE1 TYR 12 1HE TYR 12 0.755 -8.990 6.142
89 HE2 TYR 12 2HE TYR 12 4.067 -11.646 5.707
90 HH TYR 12 HH TYR 12 2.666 -8.793 7.280
91 H ASP 13 H ASP 13 0.006 -9.279 0.290
92 HA ASP 13 HA ASP 13 2.717 -9.907 -0.677
93 1HB ASP 13 2HB ASP 13 0.349 -9.256 -2.101
94 2HB ASP 13 1HB ASP 13 1.436 -7.879 -2.253
95 HA PRO 14 HA PRO 14 2.732 -6.195 2.208
96 1HB PRO 14 2HB PRO 14 5.155 -6.956 3.303
97 2HB PRO 14 1HB PRO 14 3.567 -7.286 4.001
98 1HG PRO 14 2HG PRO 14 5.323 -9.060 2.360
99 2HG PRO 14 1HG PRO 14 4.306 -9.464 3.757
100 1HD PRO 14 2HD PRO 14 3.544 -10.049 1.253
101 2HD PRO 14 1HD PRO 14 2.367 -9.536 2.481
102 H VAL 15 H VAL 15 3.061 -4.876 0.415
103 HA VAL 15 HA VAL 15 5.727 -4.738 -0.747
104 HB VAL 15 HB VAL 15 4.738 -3.258 -2.378
105 1HG1 VAL 15 1HG1 VAL 15 4.276 -5.874 -2.264
106 2HG1 VAL 15 2HG1 VAL 15 3.637 -4.857 -3.556
107 3HG1 VAL 15 3HG1 VAL 15 2.608 -5.302 -2.195
108 1HG2 VAL 15 1HG2 VAL 15 2.216 -3.444 -0.742
109 2HG2 VAL 15 2HG2 VAL 15 2.360 -2.659 -2.315
110 3HG2 VAL 15 3HG2 VAL 15 3.236 -2.018 -0.926
111 H CYS 16 H CYS 16 7.135 -3.334 -0.152
112 HA CYS 16 HA CYS 16 6.559 -1.430 1.898
113 1HB CYS 16 2HB CYS 16 8.809 -2.799 0.936
114 2HB CYS 16 1HB CYS 16 9.129 -1.095 0.709
115 H GLY 17 H GLY 17 5.740 0.502 1.547
116 1HA GLY 17 2HA GLY 17 6.105 1.683 -1.102
117 2HA GLY 17 1HA GLY 17 4.812 2.085 0.009
118 H SER 18 H SER 18 6.905 3.606 -1.448
119 HA SER 18 HA SER 18 8.880 4.627 0.123
120 1HB SER 18 2HB SER 18 7.177 5.959 -1.979
121 2HB SER 18 1HB SER 18 8.540 6.777 -1.214
122 HG SER 18 HG SER 18 8.511 4.752 -3.086
123 H ASP 19 H ASP 19 8.452 4.852 2.159
124 HA ASP 19 HA ASP 19 7.640 7.213 3.266
125 1HB ASP 19 2HB ASP 19 5.371 5.613 2.487
126 2HB ASP 19 1HB ASP 19 5.413 5.770 4.240
127 H GLY 20 H GLY 20 7.975 3.786 3.434
128 1HA GLY 20 2HA GLY 20 9.498 2.823 5.013
129 2HA GLY 20 1HA GLY 20 8.983 4.038 6.179
130 H ILE 21 H ILE 21 6.728 2.308 4.108
131 HA ILE 21 HA ILE 21 5.917 0.746 6.479
132 HB ILE 21 HB ILE 21 4.064 2.245 4.639
133 1HG1 ILE 21 2HG1 ILE 21 5.344 3.469 6.510
134 2HG1 ILE 21 1HG1 ILE 21 3.597 3.671 6.450
135 1HG2 ILE 21 1HG2 ILE 21 2.253 1.372 6.023
136 2HG2 ILE 21 2HG2 ILE 21 3.415 0.432 6.960
137 3HG2 ILE 21 3HG2 ILE 21 3.151 0.061 5.256
138 1HD1 ILE 21 1HD1 ILE 21 3.473 3.005 8.549
139 2HD1 ILE 21 2HD1 ILE 21 5.215 2.733 8.582
140 3HD1 ILE 21 3HD1 ILE 21 4.129 1.435 8.087
141 H THR 22 H THR 22 5.251 -1.291 6.167
142 HA THR 22 HA THR 22 5.455 -2.360 3.444
143 HB THR 22 HB THR 22 5.281 -4.009 5.957
144 HG1 THR 22 1HG THR 22 7.008 -2.579 6.248
145 1HG2 THR 22 1HG2 THR 22 5.103 -5.140 3.762
146 2HG2 THR 22 2HG2 THR 22 6.485 -5.657 4.728
147 3HG2 THR 22 3HG2 THR 22 6.719 -4.549 3.375
148 H TYR 23 H TYR 23 3.507 -2.081 2.534
149 HA TYR 23 HA TYR 23 1.061 -2.550 3.983
150 1HB TYR 23 2HB TYR 23 1.443 -1.983 1.049
151 2HB TYR 23 1HB TYR 23 -0.013 -1.729 2.008
152 HD1 TYR 23 1HD TYR 23 3.186 -0.387 1.015
153 HD2 TYR 23 2HD TYR 23 -0.020 0.047 3.773
154 HE1 TYR 23 1HE TYR 23 3.989 1.862 1.583
155 HE2 TYR 23 2HE TYR 23 0.767 2.306 4.334
156 HH TYR 23 HH TYR 23 3.437 3.811 2.608
157 H GLY 24 H GLY 24 0.047 -4.410 4.136
158 1HA GLY 24 2HA GLY 24 0.885 -6.852 3.323
159 2HA GLY 24 1HA GLY 24 -0.813 -6.466 3.568
160 H ASN 25 H ASN 25 -0.609 -4.443 1.366
161 HA ASN 25 HA ASN 25 0.013 -5.842 -1.016
162 1HB ASN 25 2HB ASN 25 -2.790 -5.533 -1.360
163 2HB ASN 25 1HB ASN 25 -1.850 -7.020 -1.390
164 1HD2 ASN 25 1HD2 ASN 25 -3.551 -8.178 -0.456
165 2HD2 ASN 25 2HD2 ASN 25 -3.944 -8.029 1.216
166 H ALA 26 H ALA 26 -0.178 -4.546 -2.851
167 HA ALA 26 HA ALA 26 0.117 -1.833 -2.625
168 1HB ALA 26 1HB ALA 26 0.660 -2.267 -4.748
169 2HB ALA 26 2HB ALA 26 -1.058 -2.105 -5.114
170 3HB ALA 26 3HB ALA 26 -0.369 -3.698 -4.800
171 H CYS 27 H CYS 27 -2.763 -3.688 -2.574
172 HA CYS 27 HA CYS 27 -4.589 -1.523 -3.049
173 1HB CYS 27 2HB CYS 27 -4.773 -4.395 -2.630
174 2HB CYS 27 1HB CYS 27 -5.995 -3.512 -1.725
175 H MET 28 H MET 28 -3.696 -3.502 -0.222
176 HA MET 28 HA MET 28 -5.053 -2.134 1.757
177 1HB MET 28 2HB MET 28 -2.406 -3.515 1.644
178 2HB MET 28 1HB MET 28 -2.777 -2.566 3.060
179 1HG MET 28 2HG MET 28 -4.901 -3.844 3.311
180 2HG MET 28 1HG MET 28 -4.325 -4.923 2.048
181 1HE MET 28 1HE MET 28 -3.734 -4.376 6.223
182 2HE MET 28 2HE MET 28 -3.408 -3.065 5.087
183 3HE MET 28 3HE MET 28 -2.070 -3.951 5.820
184 H LEU 29 H LEU 29 -2.267 -1.362 -0.102
185 HA LEU 29 HA LEU 29 -1.323 0.907 1.213
186 1HB LEU 29 2HB LEU 29 -0.871 -0.509 -1.185
187 2HB LEU 29 1HB LEU 29 -1.130 1.159 -1.630
188 HG LEU 29 HG LEU 29 1.021 -0.021 0.073
189 1HD1 LEU 29 1HD1 LEU 29 1.358 0.322 -2.353
190 2HD1 LEU 29 2HD1 LEU 29 2.445 1.307 -1.373
191 3HD1 LEU 29 3HD1 LEU 29 1.032 2.041 -2.131
192 1HD2 LEU 29 1HD2 LEU 29 0.290 1.701 1.500
193 2HD2 LEU 29 2HD2 LEU 29 -0.061 2.780 0.159
194 3HD2 LEU 29 3HD2 LEU 29 1.609 2.418 0.584
195 H LEU 30 H LEU 30 -3.493 0.539 -1.536
196 HA LEU 30 HA LEU 30 -4.231 3.169 -1.886
197 1HB LEU 30 2HB LEU 30 -5.543 0.534 -2.334
198 2HB LEU 30 1HB LEU 30 -6.569 1.953 -2.399
199 HG LEU 30 HG LEU 30 -4.102 1.527 -4.076
200 1HD1 LEU 30 1HD1 LEU 30 -6.811 1.626 -5.268
201 2HD1 LEU 30 2HD1 LEU 30 -6.363 0.152 -4.408
202 3HD1 LEU 30 3HD1 LEU 30 -5.384 0.715 -5.763
203 1HD2 LEU 30 1HD2 LEU 30 -5.057 3.906 -3.408
204 2HD2 LEU 30 2HD2 LEU 30 -6.190 3.542 -4.711
205 3HD2 LEU 30 3HD2 LEU 30 -4.456 3.568 -5.031
206 H CYS 31 H CYS 31 -5.057 0.890 0.618
207 HA CYS 31 HA CYS 31 -7.156 2.551 1.737
208 1HB CYS 31 2HB CYS 31 -5.883 -0.051 2.414
209 2HB CYS 31 1HB CYS 31 -6.556 0.866 3.754
210 H ALA 32 H ALA 32 -3.750 2.027 2.077
211 HA ALA 32 HA ALA 32 -3.349 3.404 4.519
212 1HB ALA 32 1HB ALA 32 -1.575 2.032 4.034
213 2HB ALA 32 2HB ALA 32 -0.947 3.586 3.486
214 3HB ALA 32 3HB ALA 32 -1.597 2.437 2.317
215 H SER 33 H SER 33 -2.629 4.331 1.152
216 HA SER 33 HA SER 33 -1.997 6.997 1.660
217 1HB SER 33 2HB SER 33 -2.666 5.385 -0.680
218 2HB SER 33 1HB SER 33 -3.225 7.051 -0.832
219 HG SER 33 HG SER 33 -1.159 7.770 -0.591
220 H ALA 34 H ALA 34 -5.101 5.410 1.321
221 HA ALA 34 HA ALA 34 -6.539 7.943 1.375
222 1HB ALA 34 1HB ALA 34 -7.464 6.351 -0.108
223 2HB ALA 34 2HB ALA 34 -8.557 6.430 1.274
224 3HB ALA 34 3HB ALA 34 -7.430 5.082 1.117
225 H ARG 35 H ARG 35 -5.125 5.999 3.634
226 HA ARG 35 HA ARG 35 -7.209 6.349 5.655
227 1HB ARG 35 2HB ARG 35 -4.910 4.555 5.302
228 2HB ARG 35 1HB ARG 35 -5.119 5.142 6.945
229 1HG ARG 35 2HG ARG 35 -7.401 4.294 6.975
230 2HG ARG 35 1HG ARG 35 -7.221 3.735 5.310
231 1HD ARG 35 2HD ARG 35 -6.399 1.818 6.068
232 2HD ARG 35 1HD ARG 35 -5.037 2.699 6.759
233 HE ARG 35 HE ARG 35 -7.336 2.786 8.448
234 1HH1 ARG 35 1HH1 ARG 35 -4.648 0.800 7.471
235 2HH1 ARG 35 2HH1 ARG 35 -4.604 -0.097 8.952
236 1HH2 ARG 35 1HH2 ARG 35 -7.288 1.609 10.404
237 2HH2 ARG 35 2HH2 ARG 35 -6.106 0.360 10.618
238 H SER 36 H SER 36 -3.754 7.043 5.213
239 HA SER 36 HA SER 36 -3.777 8.850 7.475
240 1HB SER 36 2HB SER 36 -1.847 7.395 7.152
241 2HB SER 36 1HB SER 36 -1.559 8.092 5.561
242 HG SER 36 HG SER 36 -1.547 10.165 6.973
243 H ASP 37 H ASP 37 -1.822 9.719 4.745
244 HA ASP 37 HA ASP 37 -3.490 11.508 3.428
245 1HB ASP 37 2HB ASP 37 -2.730 13.663 4.394
246 2HB ASP 37 1HB ASP 37 -3.679 12.701 5.523
247 H THR 38 H THR 38 -0.287 10.589 4.445
248 HA THR 38 HA THR 38 1.079 12.176 2.480
249 HB THR 38 HB THR 38 2.617 9.934 3.464
250 HG1 THR 38 1HG THR 38 1.864 9.815 5.401
251 1HG2 THR 38 1HG2 THR 38 2.812 12.855 3.376
252 2HG2 THR 38 2HG2 THR 38 4.040 11.620 3.101
253 3HG2 THR 38 3HG2 THR 38 3.613 12.088 4.747
254 HA PRO 39 HA PRO 39 0.015 9.342 -0.847
255 1HB PRO 39 2HB PRO 39 1.966 11.077 -2.257
256 2HB PRO 39 1HB PRO 39 0.314 10.643 -2.707
257 1HG PRO 39 2HG PRO 39 0.887 13.077 -1.777
258 2HG PRO 39 1HG PRO 39 -0.624 12.259 -1.336
259 1HD PRO 39 2HD PRO 39 1.876 12.620 0.265
260 2HD PRO 39 1HD PRO 39 0.181 12.683 0.791
261 H ILE 40 H ILE 40 1.093 7.510 -0.031
262 HA ILE 40 HA ILE 40 3.918 7.226 -0.024
263 HB ILE 40 HB ILE 40 3.436 4.813 0.261
264 1HG1 ILE 40 2HG1 ILE 40 1.017 5.527 -1.008
265 2HG1 ILE 40 1HG1 ILE 40 1.498 3.936 -0.443
266 1HG2 ILE 40 1HG2 ILE 40 2.053 6.855 1.961
267 2HG2 ILE 40 2HG2 ILE 40 3.554 5.983 2.271
268 3HG2 ILE 40 3HG2 ILE 40 2.008 5.143 2.378
269 1HD1 ILE 40 1HD1 ILE 40 0.219 5.912 1.402
270 2HD1 ILE 40 2HD1 ILE 40 0.311 4.156 1.545
271 3HD1 ILE 40 3HD1 ILE 40 -0.743 4.889 0.336
272 H GLU 41 H GLU 41 5.164 5.764 -1.389
273 HA GLU 41 HA GLU 41 3.981 5.205 -4.017
274 1HB GLU 41 2HB GLU 41 6.266 7.036 -3.460
275 2HB GLU 41 1HB GLU 41 6.350 6.024 -4.896
276 1HG GLU 41 2HG GLU 41 4.483 7.029 -5.862
277 2HG GLU 41 1HG GLU 41 3.950 7.719 -4.330
278 H LEU 42 H LEU 42 4.131 3.029 -3.981
279 HA LEU 42 HA LEU 42 5.622 1.269 -2.728
280 1HB LEU 42 2HB LEU 42 4.436 1.279 -5.318
281 2HB LEU 42 1HB LEU 42 5.937 0.388 -5.372
282 HG LEU 42 HG LEU 42 3.766 -0.901 -4.852
283 1HD1 LEU 42 1HD1 LEU 42 6.421 -1.316 -4.228
284 2HD1 LEU 42 2HD1 LEU 42 5.129 -2.514 -4.165
285 3HD1 LEU 42 3HD1 LEU 42 5.578 -1.624 -2.710
286 1HD2 LEU 42 1HD2 LEU 42 3.312 0.925 -2.999
287 2HD2 LEU 42 2HD2 LEU 42 4.285 -0.172 -2.019
288 3HD2 LEU 42 3HD2 LEU 42 2.809 -0.752 -2.788
289 H VAL 43 H VAL 43 7.613 0.293 -2.782
290 HA VAL 43 HA VAL 43 9.671 1.548 -4.445
291 HB VAL 43 HB VAL 43 9.640 2.736 -2.286
292 1HG1 VAL 43 1HG1 VAL 43 8.931 1.246 -0.675
293 2HG1 VAL 43 2HG1 VAL 43 10.655 1.375 -0.338
294 3HG1 VAL 43 3HG1 VAL 43 10.030 -0.021 -1.214
295 1HG2 VAL 43 1HG2 VAL 43 11.699 2.747 -3.433
296 2HG2 VAL 43 2HG2 VAL 43 12.059 1.087 -2.959
297 3HG2 VAL 43 3HG2 VAL 43 12.079 2.373 -1.752
298 H HIS 44 H HIS 44 8.786 -1.092 -2.279
299 HA HIS 44 HA HIS 44 10.249 -2.931 -3.945
300 1HB HIS 44 2HB HIS 44 10.943 -3.751 -1.328
301 2HB HIS 44 1HB HIS 44 12.016 -3.263 -2.634
302 HD1 HIS 44 1HD HIS 44 12.708 -0.699 -2.662
303 HD2 HIS 44 2HD HIS 44 10.772 -2.017 0.766
304 HE1 HIS 44 1HE HIS 44 13.146 1.063 -0.929
305 HE2 HIS 44 2HE HIS 44 11.853 0.314 1.095
306 H LYS 45 H LYS 45 9.013 -4.632 -4.270
307 HA LYS 45 HA LYS 45 6.591 -5.021 -2.827
308 1HB LYS 45 2HB LYS 45 7.886 -6.151 -5.191
309 2HB LYS 45 1HB LYS 45 6.979 -7.341 -4.270
310 1HG LYS 45 2HG LYS 45 5.083 -6.602 -5.130
311 2HG LYS 45 1HG LYS 45 5.403 -4.981 -4.511
312 1HD LYS 45 2HD LYS 45 5.379 -4.449 -6.709
313 2HD LYS 45 1HD LYS 45 7.054 -4.999 -6.633
314 1HE LYS 45 2HE LYS 45 6.534 -6.446 -8.243
315 2HE LYS 45 1HE LYS 45 5.598 -7.321 -7.033
316 1HZ LYS 45 1HZ LYS 45 3.689 -5.865 -7.644
317 2HZ LYS 45 2HZ LYS 45 4.188 -6.911 -8.876
318 3HZ LYS 45 3HZ LYS 45 4.609 -5.274 -8.937
319 H GLY 46 H GLY 46 7.953 -5.146 -0.723
320 1HA GLY 46 2HA GLY 46 7.690 -7.739 0.321
321 2HA GLY 46 1HA GLY 46 9.386 -7.459 -0.051
322 H ARG 47 H ARG 47 9.725 -7.677 2.276
323 HA ARG 47 HA ARG 47 8.700 -5.490 3.898
324 1HB ARG 47 2HB ARG 47 10.648 -7.558 4.874
325 2HB ARG 47 1HB ARG 47 9.429 -6.675 5.783
326 1HG ARG 47 2HG ARG 47 7.723 -8.053 5.106
327 2HG ARG 47 1HG ARG 47 8.564 -8.548 3.635
328 1HD ARG 47 2HD ARG 47 9.599 -10.249 4.664
329 2HD ARG 47 1HD ARG 47 9.959 -9.283 6.096
330 HE ARG 47 HE ARG 47 7.648 -10.980 5.664
331 1HH1 ARG 47 1HH1 ARG 47 9.129 -8.476 7.577
332 2HH1 ARG 47 2HH1 ARG 47 8.124 -8.758 8.960
333 1HH2 ARG 47 1HH2 ARG 47 6.317 -11.358 7.476
334 2HH2 ARG 47 2HH2 ARG 47 6.525 -10.398 8.902
335 H CYS 48 H CYS 48 10.116 -4.323 2.061
336 HA CYS 48 HA CYS 48 11.976 -3.085 1.560
337 1HB CYS 48 2HB CYS 48 11.416 -2.771 4.459
338 2HB CYS 48 1HB CYS 48 12.871 -2.018 3.817