Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15370 | 1y1b RC | 6386 | 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 2.929 12.961 6.154
2 2H LYS 1 2HT LYS 1 1.278 13.222 5.766
3 3H LYS 1 3HT LYS 1 2.509 13.830 4.738
4 HA LYS 1 HA LYS 1 1.268 11.307 4.782
5 1HB LYS 1 2HB LYS 1 1.958 11.309 2.548
6 2HB LYS 1 1HB LYS 1 1.782 13.020 2.912
7 1HG LYS 1 2HG LYS 1 4.174 13.239 3.206
8 2HG LYS 1 1HG LYS 1 4.386 11.506 2.944
9 1HD LYS 1 2HD LYS 1 4.687 12.011 0.788
10 2HD LYS 1 1HD LYS 1 2.951 12.319 0.731
11 1HE LYS 1 2HE LYS 1 4.776 14.488 1.655
12 2HE LYS 1 1HE LYS 1 4.676 14.134 -0.069
13 1HZ LYS 1 1HZ LYS 1 2.515 15.040 1.737
14 2HZ LYS 1 2HZ LYS 1 2.186 14.345 0.231
15 3HZ LYS 1 3HZ LYS 1 3.081 15.778 0.322
16 HA PRO 2 HA PRO 2 4.271 8.603 6.542
17 1HB PRO 2 2HB PRO 2 4.073 6.587 4.606
18 2HB PRO 2 1HB PRO 2 3.108 6.716 6.077
19 1HG PRO 2 2HG PRO 2 2.432 7.514 3.290
20 2HG PRO 2 1HG PRO 2 1.383 6.859 4.560
21 1HD PRO 2 2HD PRO 2 1.332 9.458 3.898
22 2HD PRO 2 1HD PRO 2 1.123 8.927 5.581
23 H ASP 3 H ASP 3 5.934 6.861 5.291
24 HA ASP 3 HA ASP 3 7.506 8.515 3.431
25 1HB ASP 3 2HB ASP 3 9.564 7.766 4.565
26 2HB ASP 3 1HB ASP 3 8.514 8.661 5.657
27 H CYS 4 H CYS 4 9.590 6.770 3.007
28 HA CYS 4 HA CYS 4 8.219 4.580 1.612
29 1HB CYS 4 2HB CYS 4 10.882 4.884 0.664
30 2HB CYS 4 1HB CYS 4 9.380 5.200 -0.193
31 HA PRO 5 HA PRO 5 10.715 1.747 3.939
32 1HB PRO 5 2HB PRO 5 10.169 -0.480 2.500
33 2HB PRO 5 1HB PRO 5 8.965 0.328 3.505
34 1HG PRO 5 2HG PRO 5 9.115 0.158 0.598
35 2HG PRO 5 1HG PRO 5 7.772 0.688 1.618
36 1HD PRO 5 2HD PRO 5 9.747 2.296 0.189
37 2HD PRO 5 1HD PRO 5 8.231 2.809 0.955
38 H LEU 6 H LEU 6 11.982 -0.500 3.091
39 HA LEU 6 HA LEU 6 13.998 0.394 1.144
40 1HB LEU 6 2HB LEU 6 14.576 -0.955 3.785
41 2HB LEU 6 1HB LEU 6 15.766 -0.558 2.561
42 HG LEU 6 HG LEU 6 14.462 1.858 3.129
43 1HD1 LEU 6 1HD1 LEU 6 14.829 2.042 5.577
44 2HD1 LEU 6 2HD1 LEU 6 15.067 0.295 5.633
45 3HD1 LEU 6 3HD1 LEU 6 13.509 0.957 5.137
46 1HD2 LEU 6 1HD2 LEU 6 16.719 1.921 2.591
47 2HD2 LEU 6 2HD2 LEU 6 17.135 0.666 3.758
48 3HD2 LEU 6 3HD2 LEU 6 16.717 2.286 4.316
49 H ILE 7 H ILE 7 12.185 -1.116 0.118
50 HA ILE 7 HA ILE 7 11.797 -3.048 -1.020
51 HB ILE 7 HB ILE 7 14.629 -3.586 -0.146
52 1HG1 ILE 7 2HG1 ILE 7 13.445 -3.183 -2.899
53 2HG1 ILE 7 1HG1 ILE 7 14.127 -1.882 -1.927
54 1HG2 ILE 7 1HG2 ILE 7 12.668 -5.498 -1.099
55 2HG2 ILE 7 2HG2 ILE 7 14.283 -5.767 -0.444
56 3HG2 ILE 7 3HG2 ILE 7 14.076 -5.403 -2.158
57 1HD1 ILE 7 1HD1 ILE 7 15.495 -4.150 -3.288
58 2HD1 ILE 7 2HD1 ILE 7 16.231 -3.410 -1.866
59 3HD1 ILE 7 3HD1 ILE 7 15.887 -2.430 -3.291
60 H CYS 8 H CYS 8 10.144 -4.000 0.038
61 HA CYS 8 HA CYS 8 10.600 -5.337 2.556
62 1HB CYS 8 2HB CYS 8 8.403 -4.070 1.413
63 2HB CYS 8 1HB CYS 8 7.962 -5.766 1.522
64 H THR 9 H THR 9 8.518 -6.620 -0.001
65 HA THR 9 HA THR 9 10.198 -8.866 -0.525
66 HB THR 9 HB THR 9 9.608 -9.538 1.684
67 HG1 THR 9 1HG THR 9 9.221 -11.448 0.949
68 1HG2 THR 9 1HG2 THR 9 7.729 -8.147 2.170
69 2HG2 THR 9 2HG2 THR 9 7.243 -9.829 2.376
70 3HG2 THR 9 3HG2 THR 9 6.758 -8.942 0.930
71 H MET 10 H MET 10 8.755 -10.731 -1.471
72 HA MET 10 HA MET 10 6.834 -9.478 -3.314
73 1HB MET 10 2HB MET 10 7.393 -11.694 -4.634
74 2HB MET 10 1HB MET 10 8.454 -10.297 -4.731
75 1HG MET 10 2HG MET 10 8.975 -12.329 -2.627
76 2HG MET 10 1HG MET 10 9.389 -12.714 -4.297
77 1HE MET 10 1HE MET 10 12.140 -11.386 -5.317
78 2HE MET 10 2HE MET 10 11.435 -9.770 -5.369
79 3HE MET 10 3HE MET 10 10.451 -11.175 -5.778
80 H GLN 11 H GLN 11 6.689 -10.943 -0.549
81 HA GLN 11 HA GLN 11 5.017 -13.208 -1.040
82 1HB GLN 11 2HB GLN 11 6.423 -12.228 1.150
83 2HB GLN 11 1HB GLN 11 4.739 -11.996 1.597
84 1HG GLN 11 2HG GLN 11 5.956 -14.595 0.692
85 2HG GLN 11 1HG GLN 11 5.633 -14.144 2.364
86 1HE2 GLN 11 1HE2 GLN 11 4.432 -15.658 -0.360
87 2HE2 GLN 11 2HE2 GLN 11 2.777 -15.791 0.118
88 H TYR 12 H TYR 12 3.770 -11.835 -2.560
89 HA TYR 12 HA TYR 12 2.194 -9.834 -2.513
90 1HB TYR 12 2HB TYR 12 1.790 -12.480 -3.468
91 2HB TYR 12 1HB TYR 12 0.261 -11.896 -2.821
92 HD1 TYR 12 1HD TYR 12 2.861 -11.327 -5.357
93 HD2 TYR 12 2HD TYR 12 -0.943 -10.110 -3.891
94 HE1 TYR 12 1HE TYR 12 2.483 -10.044 -7.420
95 HE2 TYR 12 2HE TYR 12 -1.331 -8.824 -5.951
96 HH TYR 12 HH TYR 12 -0.489 -8.913 -8.364
97 H ASP 13 H ASP 13 1.746 -8.808 -0.648
98 HA ASP 13 HA ASP 13 -0.303 -10.021 1.088
99 1HB ASP 13 2HB ASP 13 2.266 -9.020 1.799
100 2HB ASP 13 1HB ASP 13 1.073 -7.880 2.416
101 HA PRO 14 HA PRO 14 -1.628 -6.273 -1.498
102 1HB PRO 14 2HB PRO 14 -4.169 -7.464 -1.736
103 2HB PRO 14 1HB PRO 14 -2.912 -7.401 -2.974
104 1HG PRO 14 2HG PRO 14 -3.577 -9.578 -1.050
105 2HG PRO 14 1HG PRO 14 -3.020 -9.691 -2.730
106 1HD PRO 14 2HD PRO 14 -1.350 -10.189 -0.716
107 2HD PRO 14 1HD PRO 14 -0.793 -9.284 -2.142
108 H VAL 15 H VAL 15 -2.028 -4.639 -0.213
109 HA VAL 15 HA VAL 15 -4.156 -4.885 1.794
110 HB VAL 15 HB VAL 15 -2.914 -3.116 3.046
111 1HG1 VAL 15 1HG1 VAL 15 -1.913 -4.701 4.281
112 2HG1 VAL 15 2HG1 VAL 15 -0.928 -5.259 2.929
113 3HG1 VAL 15 3HG1 VAL 15 -2.592 -5.819 3.098
114 1HG2 VAL 15 1HG2 VAL 15 -1.584 -2.483 0.939
115 2HG2 VAL 15 2HG2 VAL 15 -0.515 -3.807 1.402
116 3HG2 VAL 15 3HG2 VAL 15 -0.759 -2.445 2.496
117 H CYS 16 H CYS 16 -5.714 -3.450 1.718
118 HA CYS 16 HA CYS 16 -5.829 -1.640 -0.503
119 1HB CYS 16 2HB CYS 16 -7.663 -2.978 1.164
120 2HB CYS 16 1HB CYS 16 -7.942 -1.265 1.360
121 H GLY 17 H GLY 17 -5.039 0.356 -0.472
122 1HA GLY 17 2HA GLY 17 -4.607 1.602 2.150
123 2HA GLY 17 1HA GLY 17 -3.710 1.977 0.690
124 H SER 18 H SER 18 -5.341 3.505 2.690
125 HA SER 18 HA SER 18 -7.669 4.537 1.686
126 1HB SER 18 2HB SER 18 -6.967 5.194 3.881
127 2HB SER 18 1HB SER 18 -5.465 5.877 3.262
128 HG SER 18 HG SER 18 -7.905 6.883 2.322
129 H ASP 19 H ASP 19 -7.732 4.749 -0.398
130 HA ASP 19 HA ASP 19 -7.180 7.105 -1.681
131 1HB ASP 19 2HB ASP 19 -4.763 5.910 -1.333
132 2HB ASP 19 1HB ASP 19 -5.238 5.210 -2.877
133 H GLY 20 H GLY 20 -7.520 3.661 -1.763
134 1HA GLY 20 2HA GLY 20 -9.445 2.707 -2.840
135 2HA GLY 20 1HA GLY 20 -9.268 3.911 -4.109
136 H ILE 21 H ILE 21 -6.575 2.084 -2.708
137 HA ILE 21 HA ILE 21 -6.505 0.488 -5.183
138 HB ILE 21 HB ILE 21 -4.264 2.213 -4.165
139 1HG1 ILE 21 2HG1 ILE 21 -5.967 3.213 -5.699
140 2HG1 ILE 21 1HG1 ILE 21 -4.336 3.205 -6.362
141 1HG2 ILE 21 1HG2 ILE 21 -4.113 0.087 -6.300
142 2HG2 ILE 21 2HG2 ILE 21 -3.407 -0.032 -4.688
143 3HG2 ILE 21 3HG2 ILE 21 -2.817 1.184 -5.822
144 1HD1 ILE 21 1HD1 ILE 21 -6.728 2.083 -7.437
145 2HD1 ILE 21 2HD1 ILE 21 -5.535 0.807 -7.188
146 3HD1 ILE 21 3HD1 ILE 21 -5.129 2.216 -8.169
147 H THR 22 H THR 22 -5.632 -1.501 -5.064
148 HA THR 22 HA THR 22 -4.962 -2.504 -2.391
149 HB THR 22 HB THR 22 -5.426 -4.124 -4.900
150 HG1 THR 22 1HG THR 22 -7.314 -3.022 -4.551
151 1HG2 THR 22 1HG2 THR 22 -5.091 -4.761 -2.038
152 2HG2 THR 22 2HG2 THR 22 -4.639 -5.681 -3.472
153 3HG2 THR 22 3HG2 THR 22 -6.316 -5.665 -2.928
154 H TYR 23 H TYR 23 -2.854 -2.020 -2.080
155 HA TYR 23 HA TYR 23 -0.908 -2.277 -4.171
156 1HB TYR 23 2HB TYR 23 -0.485 -1.683 -1.242
157 2HB TYR 23 1HB TYR 23 0.624 -1.357 -2.566
158 HD1 TYR 23 1HD TYR 23 -0.002 0.341 -4.312
159 HD2 TYR 23 2HD TYR 23 -2.276 -0.182 -0.752
160 HE1 TYR 23 1HE TYR 23 -1.092 2.515 -4.690
161 HE2 TYR 23 2HE TYR 23 -3.362 1.994 -1.119
162 HH TYR 23 HH TYR 23 -3.131 3.992 -2.290
163 H GLY 24 H GLY 24 0.652 -3.736 -4.431
164 1HA GLY 24 2HA GLY 24 0.363 -6.370 -3.880
165 2HA GLY 24 1HA GLY 24 1.942 -5.626 -4.095
166 H ASN 25 H ASN 25 1.559 -3.930 -1.752
167 HA ASN 25 HA ASN 25 1.111 -5.451 0.541
168 1HB ASN 25 2HB ASN 25 3.531 -5.581 1.322
169 2HB ASN 25 1HB ASN 25 3.031 -6.750 0.106
170 1HD2 ASN 25 1HD2 ASN 25 4.376 -7.019 -1.501
171 2HD2 ASN 25 2HD2 ASN 25 5.528 -5.868 -2.078
172 H ALA 26 H ALA 26 1.310 -4.272 2.422
173 HA ALA 26 HA ALA 26 0.884 -1.565 2.308
174 1HB ALA 26 1HB ALA 26 0.687 -3.312 4.277
175 2HB ALA 26 2HB ALA 26 0.837 -1.584 4.594
176 3HB ALA 26 3HB ALA 26 2.251 -2.630 4.725
177 H CYS 27 H CYS 27 3.877 -3.306 2.236
178 HA CYS 27 HA CYS 27 5.556 -1.092 2.935
179 1HB CYS 27 2HB CYS 27 5.919 -3.849 1.985
180 2HB CYS 27 1HB CYS 27 7.158 -2.718 1.452
181 H MET 28 H MET 28 4.472 -2.573 -0.065
182 HA MET 28 HA MET 28 5.965 -0.957 -1.811
183 1HB MET 28 2HB MET 28 3.425 -2.549 -2.074
184 2HB MET 28 1HB MET 28 4.054 -1.612 -3.426
185 1HG MET 28 2HG MET 28 6.124 -3.227 -2.221
186 2HG MET 28 1HG MET 28 4.748 -4.213 -2.708
187 1HE MET 28 1HE MET 28 3.612 -3.955 -5.026
188 2HE MET 28 2HE MET 28 4.441 -3.456 -6.500
189 3HE MET 28 3HE MET 28 3.812 -2.241 -5.388
190 H LEU 29 H LEU 29 3.323 -0.332 0.211
191 HA LEU 29 HA LEU 29 2.234 1.853 -1.269
192 1HB LEU 29 2HB LEU 29 1.635 0.426 1.168
193 2HB LEU 29 1HB LEU 29 1.529 2.161 1.416
194 HG LEU 29 HG LEU 29 -0.062 0.433 -0.431
195 1HD1 LEU 29 1HD1 LEU 29 -0.497 1.854 2.025
196 2HD1 LEU 29 2HD1 LEU 29 -1.549 0.715 1.185
197 3HD1 LEU 29 3HD1 LEU 29 -1.597 2.429 0.772
198 1HD2 LEU 29 1HD2 LEU 29 -0.906 2.970 -0.982
199 2HD2 LEU 29 2HD2 LEU 29 0.162 2.013 -2.005
200 3HD2 LEU 29 3HD2 LEU 29 0.839 3.173 -0.876
201 H LEU 30 H LEU 30 4.251 1.564 1.644
202 HA LEU 30 HA LEU 30 4.593 4.241 2.186
203 1HB LEU 30 2HB LEU 30 7.013 2.501 2.308
204 2HB LEU 30 1HB LEU 30 6.423 3.668 3.472
205 HG LEU 30 HG LEU 30 5.488 0.844 3.045
206 1HD1 LEU 30 1HD1 LEU 30 7.394 1.906 4.693
207 2HD1 LEU 30 2HD1 LEU 30 6.537 0.390 4.967
208 3HD1 LEU 30 3HD1 LEU 30 5.973 1.874 5.734
209 1HD2 LEU 30 1HD2 LEU 30 3.413 1.626 3.427
210 2HD2 LEU 30 2HD2 LEU 30 3.998 3.167 4.055
211 3HD2 LEU 30 3HD2 LEU 30 3.968 1.746 5.097
212 H GLY 31 H GLY 31 6.013 2.251 -0.321
213 1HA GLY 31 2HA GLY 31 7.887 4.232 -1.222
214 2HA GLY 31 1HA GLY 31 7.350 2.816 -2.127
215 H ALA 32 H ALA 32 4.567 3.408 -1.870
216 HA ALA 32 HA ALA 32 4.233 5.096 -4.133
217 1HB ALA 32 1HB ALA 32 2.397 3.607 -2.307
218 2HB ALA 32 2HB ALA 32 2.669 3.397 -4.037
219 3HB ALA 32 3HB ALA 32 1.746 4.780 -3.451
220 H SER 33 H SER 33 2.951 5.378 -0.814
221 HA SER 33 HA SER 33 1.969 7.943 -0.982
222 1HB SER 33 2HB SER 33 2.070 6.177 1.017
223 2HB SER 33 1HB SER 33 3.403 7.212 1.530
224 HG SER 33 HG SER 33 0.973 7.658 2.073
225 H CYS 34 H CYS 34 5.242 6.852 -0.784
226 HA CYS 34 HA CYS 34 6.388 9.370 -0.079
227 1HB CYS 34 2HB CYS 34 7.320 6.704 -0.497
228 2HB CYS 34 1HB CYS 34 8.298 7.798 -1.468
229 H ARG 35 H ARG 35 5.577 7.802 -3.119
230 HA ARG 35 HA ARG 35 6.022 10.317 -4.493
231 1HB ARG 35 2HB ARG 35 7.266 8.727 -6.301
232 2HB ARG 35 1HB ARG 35 8.103 9.730 -5.126
233 1HG ARG 35 2HG ARG 35 9.102 7.914 -4.355
234 2HG ARG 35 1HG ARG 35 7.539 7.303 -3.820
235 1HD ARG 35 2HD ARG 35 9.109 6.648 -6.249
236 2HD ARG 35 1HD ARG 35 8.195 5.589 -5.177
237 HE ARG 35 HE ARG 35 6.203 6.875 -6.285
238 1HH1 ARG 35 1HH1 ARG 35 9.110 5.702 -7.820
239 2HH1 ARG 35 2HH1 ARG 35 8.356 5.485 -9.363
240 1HH2 ARG 35 1HH2 ARG 35 5.210 6.584 -8.309
241 2HH2 ARG 35 2HH2 ARG 35 6.139 5.976 -9.639
242 H SER 36 H SER 36 3.594 9.420 -4.155
243 HA SER 36 HA SER 36 2.860 7.951 -6.592
244 1HB SER 36 2HB SER 36 2.161 7.059 -4.308
245 2HB SER 36 1HB SER 36 1.067 8.437 -4.219
246 HG SER 36 HG SER 36 -0.234 7.146 -5.261
247 H ASP 37 H ASP 37 1.168 10.282 -4.518
248 HA ASP 37 HA ASP 37 1.071 12.355 -6.427
249 1HB ASP 37 2HB ASP 37 -0.506 10.405 -7.305
250 2HB ASP 37 1HB ASP 37 -1.640 11.141 -6.177
251 H THR 38 H THR 38 -0.472 10.771 -3.692
252 HA THR 38 HA THR 38 -0.604 13.331 -2.312
253 HB THR 38 HB THR 38 -3.041 12.070 -1.674
254 HG1 THR 38 1HG THR 38 -2.631 11.032 -3.799
255 1HG2 THR 38 1HG2 THR 38 -3.931 14.092 -2.031
256 2HG2 THR 38 2HG2 THR 38 -3.180 14.259 -3.618
257 3HG2 THR 38 3HG2 THR 38 -2.246 14.600 -2.160
258 HA PRO 39 HA PRO 39 0.227 10.995 1.330
259 1HB PRO 39 2HB PRO 39 -1.514 11.891 3.205
260 2HB PRO 39 1HB PRO 39 -0.175 12.872 2.601
261 1HG PRO 39 2HG PRO 39 -3.069 12.950 1.854
262 2HG PRO 39 1HG PRO 39 -1.941 14.293 2.114
263 1HD PRO 39 2HD PRO 39 -2.641 13.383 -0.357
264 2HD PRO 39 1HD PRO 39 -1.074 14.137 -0.007
265 H ILE 40 H ILE 40 -0.368 8.911 0.578
266 HA ILE 40 HA ILE 40 -3.071 7.968 0.931
267 HB ILE 40 HB ILE 40 -2.095 5.772 0.229
268 1HG1 ILE 40 2HG1 ILE 40 0.399 7.426 -0.174
269 2HG1 ILE 40 1HG1 ILE 40 0.193 6.182 1.053
270 1HG2 ILE 40 1HG2 ILE 40 -2.934 7.781 -1.267
271 2HG2 ILE 40 2HG2 ILE 40 -2.263 6.312 -1.977
272 3HG2 ILE 40 3HG2 ILE 40 -1.257 7.751 -1.814
273 1HD1 ILE 40 1HD1 ILE 40 -0.410 4.784 -1.166
274 2HD1 ILE 40 2HD1 ILE 40 1.204 4.900 -0.467
275 3HD1 ILE 40 3HD1 ILE 40 0.753 5.943 -1.815
276 H GLU 41 H GLU 41 -3.430 5.852 2.086
277 HA GLU 41 HA GLU 41 -1.694 5.390 4.383
278 1HB GLU 41 2HB GLU 41 -4.374 6.653 4.555
279 2HB GLU 41 1HB GLU 41 -4.004 5.417 5.750
280 1HG GLU 41 2HG GLU 41 -2.216 7.770 5.212
281 2HG GLU 41 1HG GLU 41 -3.500 7.785 6.421
282 H LEU 42 H LEU 42 -3.032 3.656 5.865
283 HA LEU 42 HA LEU 42 -3.873 1.559 3.971
284 1HB LEU 42 2HB LEU 42 -1.854 1.524 5.948
285 2HB LEU 42 1HB LEU 42 -3.142 0.484 6.527
286 HG LEU 42 HG LEU 42 -1.449 -0.775 5.271
287 1HD1 LEU 42 1HD1 LEU 42 -3.121 -2.132 4.773
288 2HD1 LEU 42 2HD1 LEU 42 -3.442 -1.194 3.314
289 3HD1 LEU 42 3HD1 LEU 42 -4.255 -0.782 4.824
290 1HD2 LEU 42 1HD2 LEU 42 -0.567 0.705 3.711
291 2HD2 LEU 42 2HD2 LEU 42 -2.159 1.191 3.130
292 3HD2 LEU 42 3HD2 LEU 42 -1.523 -0.405 2.729
293 H VAL 43 H VAL 43 -5.729 0.412 4.353
294 HA VAL 43 HA VAL 43 -7.301 1.235 6.706
295 HB VAL 43 HB VAL 43 -8.827 0.330 4.355
296 1HG1 VAL 43 1HG1 VAL 43 -9.684 1.232 6.587
297 2HG1 VAL 43 2HG1 VAL 43 -10.411 1.882 5.116
298 3HG1 VAL 43 3HG1 VAL 43 -9.200 2.819 5.990
299 1HG2 VAL 43 1HG2 VAL 43 -8.648 2.377 3.118
300 2HG2 VAL 43 2HG2 VAL 43 -7.028 1.709 3.323
301 3HG2 VAL 43 3HG2 VAL 43 -7.556 3.064 4.322
302 H HIS 44 H HIS 44 -6.866 -1.311 4.275
303 HA HIS 44 HA HIS 44 -7.461 -3.297 6.352
304 1HB HIS 44 2HB HIS 44 -8.417 -4.053 3.682
305 2HB HIS 44 1HB HIS 44 -9.193 -4.239 5.253
306 HD1 HIS 44 1HD HIS 44 -10.256 -1.876 6.202
307 HD2 HIS 44 2HD HIS 44 -9.581 -2.182 2.114
308 HE1 HIS 44 1HE HIS 44 -11.654 -0.070 5.153
309 HE2 HIS 44 2HE HIS 44 -11.206 -0.251 2.681
310 H LYS 45 H LYS 45 -6.106 -5.000 6.371
311 HA LYS 45 HA LYS 45 -3.911 -4.988 4.479
312 1HB LYS 45 2HB LYS 45 -3.051 -6.861 5.959
313 2HB LYS 45 1HB LYS 45 -3.229 -5.287 6.721
314 1HG LYS 45 2HG LYS 45 -5.141 -5.957 7.907
315 2HG LYS 45 1HG LYS 45 -5.360 -7.393 6.903
316 1HD LYS 45 2HD LYS 45 -3.008 -8.049 7.813
317 2HD LYS 45 1HD LYS 45 -3.377 -6.886 9.086
318 1HE LYS 45 2HE LYS 45 -5.578 -8.156 9.362
319 2HE LYS 45 1HE LYS 45 -4.835 -9.416 8.377
320 1HZ LYS 45 1HZ LYS 45 -3.387 -9.976 10.017
321 2HZ LYS 45 2HZ LYS 45 -4.655 -9.420 10.987
322 3HZ LYS 45 3HZ LYS 45 -3.327 -8.419 10.677
323 H GLY 46 H GLY 46 -5.668 -5.561 2.798
324 1HA GLY 46 2HA GLY 46 -5.182 -8.157 1.872
325 2HA GLY 46 1HA GLY 46 -6.744 -8.160 2.678
326 H ARG 47 H ARG 47 -7.867 -8.573 0.765
327 HA ARG 47 HA ARG 47 -7.650 -6.648 -1.410
328 1HB ARG 47 2HB ARG 47 -9.696 -8.827 -1.387
329 2HB ARG 47 1HB ARG 47 -8.779 -8.168 -2.735
330 1HG ARG 47 2HG ARG 47 -6.880 -9.424 -2.207
331 2HG ARG 47 1HG ARG 47 -7.465 -9.786 -0.582
332 1HD ARG 47 2HD ARG 47 -9.363 -10.702 -2.523
333 2HD ARG 47 1HD ARG 47 -7.765 -11.332 -2.916
334 HE ARG 47 HE ARG 47 -7.784 -12.565 -0.950
335 1HH1 ARG 47 1HH1 ARG 47 -10.575 -10.482 -1.126
336 2HH1 ARG 47 2HH1 ARG 47 -11.408 -11.278 0.167
337 1HH2 ARG 47 1HH2 ARG 47 -8.873 -13.611 0.757
338 2HH2 ARG 47 2HH2 ARG 47 -10.441 -13.055 1.237
339 H CYS 48 H CYS 48 -8.459 -5.240 0.657
340 HA CYS 48 HA CYS 48 -10.109 -3.960 1.575
341 1HB CYS 48 2HB CYS 48 -10.510 -4.081 -1.304
342 2HB CYS 48 1HB CYS 48 -11.998 -3.715 -0.439
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 5.828 13.459 7.280
2 2H LYS 1 2HT LYS 1 6.712 11.997 7.452
3 3H LYS 1 3HT LYS 1 4.997 11.964 7.400
4 HA LYS 1 HA LYS 1 4.917 12.481 5.186
5 1HB LYS 1 2HB LYS 1 6.604 13.550 3.998
6 2HB LYS 1 1HB LYS 1 6.795 14.241 5.604
7 1HG LYS 1 2HG LYS 1 8.618 12.680 6.061
8 2HG LYS 1 1HG LYS 1 8.426 11.984 4.451
9 1HD LYS 1 2HD LYS 1 8.964 14.912 4.868
10 2HD LYS 1 1HD LYS 1 10.268 13.727 4.768
11 1HE LYS 1 2HE LYS 1 10.181 14.102 2.562
12 2HE LYS 1 1HE LYS 1 8.748 13.074 2.598
13 1HZ LYS 1 1HZ LYS 1 8.893 16.025 2.542
14 2HZ LYS 1 2HZ LYS 1 7.492 15.223 3.048
15 3HZ LYS 1 3HZ LYS 1 8.080 14.987 1.480
16 HA PRO 2 HA PRO 2 5.989 8.180 4.697
17 1HB PRO 2 2HB PRO 2 4.949 7.897 2.186
18 2HB PRO 2 1HB PRO 2 3.972 7.883 3.657
19 1HG PRO 2 2HG PRO 2 4.459 10.115 1.727
20 2HG PRO 2 1HG PRO 2 2.951 9.633 2.526
21 1HD PRO 2 2HD PRO 2 4.428 11.727 3.377
22 2HD PRO 2 1HD PRO 2 3.508 10.701 4.497
23 H ASP 3 H ASP 3 6.752 6.940 2.468
24 HA ASP 3 HA ASP 3 8.481 8.275 0.722
25 1HB ASP 3 2HB ASP 3 9.880 8.811 2.592
26 2HB ASP 3 1HB ASP 3 9.794 7.162 3.204
27 H CYS 4 H CYS 4 9.985 6.724 -0.414
28 HA CYS 4 HA CYS 4 8.616 4.155 -0.689
29 1HB CYS 4 2HB CYS 4 10.839 4.552 -2.515
30 2HB CYS 4 1HB CYS 4 9.140 4.294 -2.878
31 HA PRO 5 HA PRO 5 11.898 2.137 1.516
32 1HB PRO 5 2HB PRO 5 11.090 -0.397 1.168
33 2HB PRO 5 1HB PRO 5 10.198 0.724 2.205
34 1HG PRO 5 2HG PRO 5 9.619 -0.122 -0.607
35 2HG PRO 5 1HG PRO 5 8.500 0.076 0.754
36 1HD PRO 5 2HD PRO 5 8.855 1.951 -1.211
37 2HD PRO 5 1HD PRO 5 8.327 2.339 0.438
38 H LEU 6 H LEU 6 13.092 -0.168 0.974
39 HA LEU 6 HA LEU 6 14.054 0.048 -1.798
40 1HB LEU 6 2HB LEU 6 16.252 -0.886 -0.545
41 2HB LEU 6 1HB LEU 6 15.966 0.807 -0.894
42 HG LEU 6 HG LEU 6 14.753 0.318 1.602
43 1HD1 LEU 6 1HD1 LEU 6 17.568 -0.467 1.965
44 2HD1 LEU 6 2HD1 LEU 6 16.498 -1.705 1.307
45 3HD1 LEU 6 3HD1 LEU 6 16.127 -0.951 2.858
46 1HD2 LEU 6 1HD2 LEU 6 17.412 1.611 1.014
47 2HD2 LEU 6 2HD2 LEU 6 16.354 1.924 2.389
48 3HD2 LEU 6 3HD2 LEU 6 15.848 2.387 0.765
49 H ILE 7 H ILE 7 12.239 -1.651 -1.774
50 HA ILE 7 HA ILE 7 11.712 -3.813 -2.256
51 HB ILE 7 HB ILE 7 14.630 -4.344 -1.726
52 1HG1 ILE 7 2HG1 ILE 7 14.119 -4.620 -4.441
53 2HG1 ILE 7 1HG1 ILE 7 13.183 -3.202 -3.981
54 1HG2 ILE 7 1HG2 ILE 7 14.331 -6.511 -2.234
55 2HG2 ILE 7 2HG2 ILE 7 13.135 -6.154 -3.481
56 3HG2 ILE 7 3HG2 ILE 7 12.652 -6.205 -1.786
57 1HD1 ILE 7 1HD1 ILE 7 15.970 -3.339 -3.010
58 2HD1 ILE 7 2HD1 ILE 7 15.022 -1.958 -3.563
59 3HD1 ILE 7 3HD1 ILE 7 15.725 -3.072 -4.736
60 H CYS 8 H CYS 8 10.353 -4.119 -0.514
61 HA CYS 8 HA CYS 8 11.394 -4.802 2.069
62 1HB CYS 8 2HB CYS 8 8.961 -3.813 1.104
63 2HB CYS 8 1HB CYS 8 8.603 -5.363 1.851
64 H THR 9 H THR 9 8.795 -6.629 0.524
65 HA THR 9 HA THR 9 10.431 -9.022 0.459
66 HB THR 9 HB THR 9 9.704 -8.950 2.796
67 HG1 THR 9 1HG THR 9 8.355 -10.975 2.642
68 1HG2 THR 9 1HG2 THR 9 7.561 -8.770 3.538
69 2HG2 THR 9 2HG2 THR 9 6.869 -9.381 2.036
70 3HG2 THR 9 3HG2 THR 9 7.483 -7.730 2.118
71 H MET 10 H MET 10 9.007 -10.968 -0.178
72 HA MET 10 HA MET 10 7.220 -10.056 -2.323
73 1HB MET 10 2HB MET 10 8.358 -12.829 -2.103
74 2HB MET 10 1HB MET 10 7.772 -11.993 -3.534
75 1HG MET 10 2HG MET 10 10.023 -11.891 -3.873
76 2HG MET 10 1HG MET 10 9.754 -10.366 -3.030
77 1HE MET 10 1HE MET 10 11.764 -14.131 -1.313
78 2HE MET 10 2HE MET 10 11.532 -13.789 -3.029
79 3HE MET 10 3HE MET 10 10.143 -14.159 -2.008
80 H GLN 11 H GLN 11 6.679 -10.657 0.646
81 HA GLN 11 HA GLN 11 4.909 -12.907 0.631
82 1HB GLN 11 2HB GLN 11 5.438 -10.677 2.584
83 2HB GLN 11 1HB GLN 11 4.138 -11.832 2.844
84 1HG GLN 11 2HG GLN 11 5.739 -13.660 2.834
85 2HG GLN 11 1HG GLN 11 7.051 -12.524 2.529
86 1HE2 GLN 11 1HE2 GLN 11 5.813 -14.351 4.836
87 2HE2 GLN 11 2HE2 GLN 11 6.149 -13.397 6.237
88 H TYR 12 H TYR 12 4.059 -11.802 -1.473
89 HA TYR 12 HA TYR 12 2.537 -9.747 -1.924
90 1HB TYR 12 2HB TYR 12 2.423 -12.436 -2.812
91 2HB TYR 12 1HB TYR 12 0.771 -11.892 -2.539
92 HD1 TYR 12 1HD TYR 12 -0.319 -10.752 -4.235
93 HD2 TYR 12 2HD TYR 12 3.935 -10.753 -4.161
94 HE1 TYR 12 1HE TYR 12 -0.287 -9.551 -6.381
95 HE2 TYR 12 2HE TYR 12 3.980 -9.552 -6.306
96 HH TYR 12 HH TYR 12 0.997 -8.453 -7.859
97 H ASP 13 H ASP 13 1.715 -8.676 -0.195
98 HA ASP 13 HA ASP 13 -0.702 -9.844 1.011
99 1HB ASP 13 2HB ASP 13 1.617 -8.997 2.353
100 2HB ASP 13 1HB ASP 13 0.440 -7.711 2.605
101 HA PRO 14 HA PRO 14 -1.534 -6.120 -1.757
102 1HB PRO 14 2HB PRO 14 -4.063 -7.230 -2.302
103 2HB PRO 14 1HB PRO 14 -2.650 -7.270 -3.358
104 1HG PRO 14 2HG PRO 14 -3.663 -9.341 -1.467
105 2HG PRO 14 1HG PRO 14 -2.901 -9.544 -3.055
106 1HD PRO 14 2HD PRO 14 -1.533 -10.028 -0.822
107 2HD PRO 14 1HD PRO 14 -0.752 -9.212 -2.196
108 H VAL 15 H VAL 15 -1.724 -4.711 -0.021
109 HA VAL 15 HA VAL 15 -4.186 -4.838 1.559
110 HB VAL 15 HB VAL 15 -3.080 -3.468 3.171
111 1HG1 VAL 15 1HG1 VAL 15 -0.716 -5.056 2.797
112 2HG1 VAL 15 2HG1 VAL 15 -2.165 -6.003 2.456
113 3HG1 VAL 15 3HG1 VAL 15 -1.981 -5.202 4.018
114 1HG2 VAL 15 1HG2 VAL 15 -0.855 -2.555 2.871
115 2HG2 VAL 15 2HG2 VAL 15 -1.931 -1.975 1.601
116 3HG2 VAL 15 3HG2 VAL 15 -0.769 -3.255 1.255
117 H CYS 16 H CYS 16 -5.680 -3.379 1.374
118 HA CYS 16 HA CYS 16 -5.510 -1.391 -0.684
119 1HB CYS 16 2HB CYS 16 -7.544 -2.782 0.695
120 2HB CYS 16 1HB CYS 16 -7.791 -1.078 0.976
121 H GLY 17 H GLY 17 -4.751 0.597 -0.418
122 1HA GLY 17 2HA GLY 17 -4.458 1.563 2.330
123 2HA GLY 17 1HA GLY 17 -3.490 2.080 0.961
124 H SER 18 H SER 18 -5.112 3.477 3.016
125 HA SER 18 HA SER 18 -7.410 4.648 2.103
126 1HB SER 18 2HB SER 18 -5.197 6.151 3.521
127 2HB SER 18 1HB SER 18 -6.927 6.494 3.570
128 HG SER 18 HG SER 18 -6.893 5.272 5.278
129 H ASP 19 H ASP 19 -7.457 4.944 0.003
130 HA ASP 19 HA ASP 19 -6.863 7.334 -1.178
131 1HB ASP 19 2HB ASP 19 -4.464 6.012 -0.855
132 2HB ASP 19 1HB ASP 19 -4.922 5.556 -2.492
133 H GLY 20 H GLY 20 -7.202 3.895 -1.415
134 1HA GLY 20 2HA GLY 20 -9.119 3.007 -2.572
135 2HA GLY 20 1HA GLY 20 -8.896 4.256 -3.789
136 H ILE 21 H ILE 21 -6.263 2.333 -2.408
137 HA ILE 21 HA ILE 21 -6.175 0.805 -4.919
138 HB ILE 21 HB ILE 21 -3.919 2.474 -3.845
139 1HG1 ILE 21 2HG1 ILE 21 -5.628 3.582 -5.287
140 2HG1 ILE 21 1HG1 ILE 21 -4.013 3.583 -5.988
141 1HG2 ILE 21 1HG2 ILE 21 -2.683 1.512 -5.865
142 2HG2 ILE 21 2HG2 ILE 21 -3.907 0.243 -5.853
143 3HG2 ILE 21 3HG2 ILE 21 -2.860 0.471 -4.453
144 1HD1 ILE 21 1HD1 ILE 21 -6.428 2.623 -7.102
145 2HD1 ILE 21 2HD1 ILE 21 -5.346 1.249 -6.877
146 3HD1 ILE 21 3HD1 ILE 21 -4.815 2.645 -7.816
147 H THR 22 H THR 22 -5.375 -1.214 -4.799
148 HA THR 22 HA THR 22 -4.718 -2.236 -2.138
149 HB THR 22 HB THR 22 -5.549 -3.556 -4.718
150 HG1 THR 22 1HG THR 22 -7.327 -4.086 -3.581
151 1HG2 THR 22 1HG2 THR 22 -5.501 -5.508 -2.724
152 2HG2 THR 22 2HG2 THR 22 -3.919 -4.730 -2.674
153 3HG2 THR 22 3HG2 THR 22 -4.511 -5.430 -4.182
154 H TYR 23 H TYR 23 -2.615 -1.849 -1.751
155 HA TYR 23 HA TYR 23 -0.623 -2.122 -3.805
156 1HB TYR 23 2HB TYR 23 -0.230 -1.587 -0.865
157 2HB TYR 23 1HB TYR 23 0.882 -1.229 -2.181
158 HD1 TYR 23 1HD TYR 23 0.537 0.697 -3.614
159 HD2 TYR 23 2HD TYR 23 -2.300 -0.301 -0.607
160 HE1 TYR 23 1HE TYR 23 -0.570 2.867 -3.943
161 HE2 TYR 23 2HE TYR 23 -3.411 1.865 -0.918
162 HH TYR 23 HH TYR 23 -2.687 3.936 -3.566
163 H GLY 24 H GLY 24 0.900 -3.601 -4.013
164 1HA GLY 24 2HA GLY 24 0.475 -6.245 -3.391
165 2HA GLY 24 1HA GLY 24 2.055 -5.576 -3.771
166 H ASN 25 H ASN 25 1.685 -3.786 -1.356
167 HA ASN 25 HA ASN 25 1.529 -5.315 0.960
168 1HB ASN 25 2HB ASN 25 4.200 -5.260 -0.351
169 2HB ASN 25 1HB ASN 25 4.148 -5.103 1.400
170 1HD2 ASN 25 1HD2 ASN 25 5.188 -7.241 -0.319
171 2HD2 ASN 25 2HD2 ASN 25 4.382 -8.684 0.187
172 H ALA 26 H ALA 26 1.942 -4.123 2.849
173 HA ALA 26 HA ALA 26 1.395 -1.422 2.753
174 1HB ALA 26 1HB ALA 26 3.057 -2.545 4.979
175 2HB ALA 26 2HB ALA 26 1.385 -3.060 4.761
176 3HB ALA 26 3HB ALA 26 1.753 -1.360 5.049
177 H CYS 27 H CYS 27 4.402 -3.113 2.436
178 HA CYS 27 HA CYS 27 6.111 -0.842 2.788
179 1HB CYS 27 2HB CYS 27 6.494 -3.618 1.690
180 2HB CYS 27 1HB CYS 27 7.756 -2.406 1.538
181 H MET 28 H MET 28 4.741 -2.594 0.056
182 HA MET 28 HA MET 28 5.976 -1.074 -1.969
183 1HB MET 28 2HB MET 28 3.388 -2.643 -1.946
184 2HB MET 28 1HB MET 28 4.174 -2.031 -3.397
185 1HG MET 28 2HG MET 28 6.146 -3.456 -2.007
186 2HG MET 28 1HG MET 28 4.688 -4.441 -1.922
187 1HE MET 28 1HE MET 28 7.836 -4.071 -4.050
188 2HE MET 28 2HE MET 28 7.304 -5.548 -4.856
189 3HE MET 28 3HE MET 28 7.213 -5.420 -3.099
190 H LEU 29 H LEU 29 3.463 -0.486 0.244
191 HA LEU 29 HA LEU 29 2.007 1.464 -1.172
192 1HB LEU 29 2HB LEU 29 1.900 0.200 1.341
193 2HB LEU 29 1HB LEU 29 1.986 1.928 1.650
194 HG LEU 29 HG LEU 29 -0.062 0.439 0.061
195 1HD1 LEU 29 1HD1 LEU 29 -1.406 0.746 1.800
196 2HD1 LEU 29 2HD1 LEU 29 -0.913 2.428 1.987
197 3HD1 LEU 29 3HD1 LEU 29 0.052 1.140 2.709
198 1HD2 LEU 29 1HD2 LEU 29 0.608 3.358 0.095
199 2HD2 LEU 29 2HD2 LEU 29 -1.015 2.793 -0.280
200 3HD2 LEU 29 3HD2 LEU 29 0.344 2.306 -1.289
201 H LEU 30 H LEU 30 4.359 1.825 1.486
202 HA LEU 30 HA LEU 30 4.546 4.563 1.472
203 1HB LEU 30 2HB LEU 30 7.145 3.154 1.636
204 2HB LEU 30 1HB LEU 30 6.454 4.360 2.704
205 HG LEU 30 HG LEU 30 5.924 1.407 2.662
206 1HD1 LEU 30 1HD1 LEU 30 7.491 1.436 4.232
207 2HD1 LEU 30 2HD1 LEU 30 6.378 2.361 5.242
208 3HD1 LEU 30 3HD1 LEU 30 7.547 3.200 4.222
209 1HD2 LEU 30 1HD2 LEU 30 4.535 3.068 4.658
210 2HD2 LEU 30 2HD2 LEU 30 3.992 1.622 3.812
211 3HD2 LEU 30 3HD2 LEU 30 3.922 3.190 3.010
212 H GLY 31 H GLY 31 5.833 2.233 -0.773
213 1HA GLY 31 2HA GLY 31 7.441 4.125 -2.222
214 2HA GLY 31 1HA GLY 31 6.971 2.519 -2.774
215 H ALA 32 H ALA 32 4.188 2.846 -2.440
216 HA ALA 32 HA ALA 32 3.517 4.062 -4.916
217 1HB ALA 32 1HB ALA 32 1.194 3.696 -3.327
218 2HB ALA 32 2HB ALA 32 2.281 2.338 -3.034
219 3HB ALA 32 3HB ALA 32 1.768 2.718 -4.678
220 H SER 33 H SER 33 2.675 4.892 -1.554
221 HA SER 33 HA SER 33 1.355 7.287 -2.108
222 1HB SER 33 2HB SER 33 0.976 7.081 0.083
223 2HB SER 33 1HB SER 33 2.220 5.839 0.200
224 HG SER 33 HG SER 33 2.313 8.501 0.885
225 H CYS 34 H CYS 34 4.761 6.564 -1.997
226 HA CYS 34 HA CYS 34 5.591 9.290 -1.641
227 1HB CYS 34 2HB CYS 34 7.767 8.516 -1.716
228 2HB CYS 34 1HB CYS 34 6.912 7.080 -1.168
229 H ARG 35 H ARG 35 4.892 7.214 -4.354
230 HA ARG 35 HA ARG 35 5.665 9.379 -6.199
231 1HB ARG 35 2HB ARG 35 5.211 7.355 -7.885
232 2HB ARG 35 1HB ARG 35 6.766 7.604 -7.105
233 1HG ARG 35 2HG ARG 35 6.563 5.774 -5.804
234 2HG ARG 35 1HG ARG 35 4.817 5.953 -5.632
235 1HD ARG 35 2HD ARG 35 5.932 5.216 -8.285
236 2HD ARG 35 1HD ARG 35 5.847 3.989 -7.023
237 HE ARG 35 HE ARG 35 3.364 5.271 -7.187
238 1HH1 ARG 35 1HH1 ARG 35 5.393 3.159 -9.070
239 2HH1 ARG 35 2HH1 ARG 35 4.068 2.391 -9.877
240 1HH2 ARG 35 1HH2 ARG 35 1.611 4.271 -8.248
241 2HH2 ARG 35 2HH2 ARG 35 1.915 3.025 -9.411
242 H SER 36 H SER 36 3.087 8.688 -4.550
243 HA SER 36 HA SER 36 1.118 8.525 -6.669
244 1HB SER 36 2HB SER 36 0.731 7.271 -4.621
245 2HB SER 36 1HB SER 36 0.816 8.746 -3.666
246 HG SER 36 HG SER 36 -1.179 9.165 -4.171
247 H ASP 37 H ASP 37 0.551 10.544 -3.876
248 HA ASP 37 HA ASP 37 1.136 13.049 -4.992
249 1HB ASP 37 2HB ASP 37 -0.967 11.971 -6.329
250 2HB ASP 37 1HB ASP 37 -1.809 12.814 -5.033
251 H THR 38 H THR 38 -0.931 11.153 -2.880
252 HA THR 38 HA THR 38 -0.650 13.251 -0.837
253 HB THR 38 HB THR 38 -2.997 12.922 -1.977
254 HG1 THR 38 1HG THR 38 -2.407 14.152 -0.022
255 1HG2 THR 38 1HG2 THR 38 -4.457 11.389 -0.873
256 2HG2 THR 38 2HG2 THR 38 -3.151 10.821 0.167
257 3HG2 THR 38 3HG2 THR 38 -3.110 10.484 -1.564
258 HA PRO 39 HA PRO 39 0.861 10.209 1.941
259 1HB PRO 39 2HB PRO 39 -1.039 11.155 4.002
260 2HB PRO 39 1HB PRO 39 0.727 11.135 4.024
261 1HG PRO 39 2HG PRO 39 -0.626 13.423 3.740
262 2HG PRO 39 1HG PRO 39 0.896 13.139 2.875
263 1HD PRO 39 2HD PRO 39 -1.920 12.980 1.863
264 2HD PRO 39 1HD PRO 39 -0.474 13.643 1.072
265 H ILE 40 H ILE 40 -0.046 8.384 0.868
266 HA ILE 40 HA ILE 40 -2.677 7.439 1.418
267 HB ILE 40 HB ILE 40 -0.334 5.814 0.431
268 1HG1 ILE 40 2HG1 ILE 40 -2.235 7.634 -1.046
269 2HG1 ILE 40 1HG1 ILE 40 -0.476 7.703 -1.020
270 1HG2 ILE 40 1HG2 ILE 40 -2.004 4.294 0.882
271 2HG2 ILE 40 2HG2 ILE 40 -2.334 4.693 -0.802
272 3HG2 ILE 40 3HG2 ILE 40 -3.294 5.428 0.482
273 1HD1 ILE 40 1HD1 ILE 40 -1.168 5.156 -1.983
274 2HD1 ILE 40 2HD1 ILE 40 -0.444 6.499 -2.868
275 3HD1 ILE 40 3HD1 ILE 40 -2.198 6.320 -2.816
276 H GLU 41 H GLU 41 -3.316 5.658 2.706
277 HA GLU 41 HA GLU 41 -1.341 4.789 4.720
278 1HB GLU 41 2HB GLU 41 -4.153 5.208 5.606
279 2HB GLU 41 1HB GLU 41 -2.659 5.324 6.524
280 1HG GLU 41 2HG GLU 41 -2.165 7.462 5.562
281 2HG GLU 41 1HG GLU 41 -3.545 7.334 4.471
282 H LEU 42 H LEU 42 -2.660 3.029 6.180
283 HA LEU 42 HA LEU 42 -3.592 1.062 4.205
284 1HB LEU 42 2HB LEU 42 -1.781 0.849 6.369
285 2HB LEU 42 1HB LEU 42 -3.198 -0.090 6.799
286 HG LEU 42 HG LEU 42 -1.526 -1.489 5.698
287 1HD1 LEU 42 1HD1 LEU 42 -3.332 -1.606 3.505
288 2HD1 LEU 42 2HD1 LEU 42 -4.239 -1.225 4.968
289 3HD1 LEU 42 3HD1 LEU 42 -3.223 -2.665 4.911
290 1HD2 LEU 42 1HD2 LEU 42 -0.300 -0.698 4.032
291 2HD2 LEU 42 2HD2 LEU 42 -1.278 0.768 3.985
292 3HD2 LEU 42 3HD2 LEU 42 -1.740 -0.632 3.015
293 H VAL 43 H VAL 43 -5.620 0.284 4.258
294 HA VAL 43 HA VAL 43 -7.279 1.050 6.566
295 HB VAL 43 HB VAL 43 -7.683 2.395 4.475
296 1HG1 VAL 43 1HG1 VAL 43 -9.329 1.030 2.917
297 2HG1 VAL 43 2HG1 VAL 43 -8.308 -0.306 3.443
298 3HG1 VAL 43 3HG1 VAL 43 -7.591 1.083 2.633
299 1HG2 VAL 43 1HG2 VAL 43 -9.761 0.883 5.966
300 2HG2 VAL 43 2HG2 VAL 43 -10.259 1.870 4.591
301 3HG2 VAL 43 3HG2 VAL 43 -9.409 2.611 5.948
302 H HIS 44 H HIS 44 -6.618 -1.325 4.075
303 HA HIS 44 HA HIS 44 -7.802 -3.387 5.753
304 1HB HIS 44 2HB HIS 44 -8.467 -3.691 2.886
305 2HB HIS 44 1HB HIS 44 -9.397 -4.137 4.311
306 HD1 HIS 44 1HD HIS 44 -9.994 -1.577 5.655
307 HD2 HIS 44 2HD HIS 44 -9.946 -1.917 1.519
308 HE1 HIS 44 1HE HIS 44 -11.371 0.340 4.806
309 HE2 HIS 44 2HE HIS 44 -11.304 0.139 2.298
310 H LYS 45 H LYS 45 -6.807 -5.383 5.534
311 HA LYS 45 HA LYS 45 -4.355 -5.341 3.945
312 1HB LYS 45 2HB LYS 45 -3.766 -7.388 5.275
313 2HB LYS 45 1HB LYS 45 -3.962 -5.920 6.220
314 1HG LYS 45 2HG LYS 45 -6.482 -7.068 6.235
315 2HG LYS 45 1HG LYS 45 -5.376 -8.435 6.386
316 1HD LYS 45 2HD LYS 45 -4.391 -6.393 8.065
317 2HD LYS 45 1HD LYS 45 -6.128 -6.502 8.357
318 1HE LYS 45 2HE LYS 45 -4.847 -9.108 8.154
319 2HE LYS 45 1HE LYS 45 -4.183 -8.121 9.456
320 1HZ LYS 45 1HZ LYS 45 -6.502 -7.764 10.219
321 2HZ LYS 45 2HZ LYS 45 -5.994 -9.373 10.318
322 3HZ LYS 45 3HZ LYS 45 -7.023 -8.890 9.066
323 H GLY 46 H GLY 46 -6.094 -5.543 2.119
324 1HA GLY 46 2HA GLY 46 -5.741 -8.067 0.933
325 2HA GLY 46 1HA GLY 46 -7.364 -7.980 1.604
326 H ARG 47 H ARG 47 -8.244 -8.120 -0.503
327 HA ARG 47 HA ARG 47 -7.675 -5.943 -2.347
328 1HB ARG 47 2HB ARG 47 -9.708 -8.126 -2.745
329 2HB ARG 47 1HB ARG 47 -8.879 -7.171 -3.967
330 1HG ARG 47 2HG ARG 47 -6.824 -8.405 -2.597
331 2HG ARG 47 1HG ARG 47 -8.081 -9.640 -2.686
332 1HD ARG 47 2HD ARG 47 -8.217 -9.368 -5.093
333 2HD ARG 47 1HD ARG 47 -7.037 -8.059 -5.033
334 HE ARG 47 HE ARG 47 -5.853 -10.298 -3.884
335 1HH1 ARG 47 1HH1 ARG 47 -7.088 -9.305 -6.986
336 2HH1 ARG 47 2HH1 ARG 47 -5.996 -10.304 -7.886
337 1HH2 ARG 47 1HH2 ARG 47 -4.412 -11.620 -5.062
338 2HH2 ARG 47 2HH2 ARG 47 -4.478 -11.624 -6.792
339 H CYS 48 H CYS 48 -8.650 -4.779 -0.222
340 HA CYS 48 HA CYS 48 -10.325 -3.528 0.688
341 1HB CYS 48 2HB CYS 48 -10.440 -3.257 -2.230
342 2HB CYS 48 1HB CYS 48 -11.908 -2.753 -1.400
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 16.137 6.926 3.222
2 2H LYS 1 2HT LYS 1 15.742 8.542 2.798
3 3H LYS 1 3HT LYS 1 16.991 7.713 1.962
4 HA LYS 1 HA LYS 1 15.172 7.704 0.562
5 1HB LYS 1 2HB LYS 1 14.835 5.021 1.807
6 2HB LYS 1 1HB LYS 1 15.121 5.449 0.125
7 1HG LYS 1 2HG LYS 1 17.418 5.655 0.438
8 2HG LYS 1 1HG LYS 1 17.262 5.797 2.190
9 1HD LYS 1 2HD LYS 1 16.737 3.494 2.418
10 2HD LYS 1 1HD LYS 1 16.517 3.304 0.677
11 1HE LYS 1 2HE LYS 1 18.628 2.358 1.206
12 2HE LYS 1 1HE LYS 1 18.945 3.900 0.413
13 1HZ LYS 1 1HZ LYS 1 18.848 3.648 3.359
14 2HZ LYS 1 2HZ LYS 1 19.522 4.894 2.434
15 3HZ LYS 1 3HZ LYS 1 20.273 3.380 2.486
16 HA PRO 2 HA PRO 2 11.612 8.847 3.256
17 1HB PRO 2 2HB PRO 2 10.763 9.630 0.501
18 2HB PRO 2 1HB PRO 2 10.589 10.509 2.025
19 1HG PRO 2 2HG PRO 2 12.463 11.211 0.280
20 2HG PRO 2 1HG PRO 2 12.802 11.216 2.022
21 1HD PRO 2 2HD PRO 2 13.659 9.271 -0.070
22 2HD PRO 2 1HD PRO 2 14.520 9.826 1.380
23 H ASP 3 H ASP 3 9.124 8.676 2.282
24 HA ASP 3 HA ASP 3 8.597 5.895 2.277
25 1HB ASP 3 2HB ASP 3 7.073 8.358 2.393
26 2HB ASP 3 1HB ASP 3 6.271 7.129 1.420
27 H CYS 4 H CYS 4 10.237 5.959 0.190
28 HA CYS 4 HA CYS 4 8.441 5.833 -2.136
29 1HB CYS 4 2HB CYS 4 10.954 7.132 -1.823
30 2HB CYS 4 1HB CYS 4 11.164 5.819 -2.975
31 HA PRO 5 HA PRO 5 9.202 1.563 -2.625
32 1HB PRO 5 2HB PRO 5 9.435 1.213 -5.292
33 2HB PRO 5 1HB PRO 5 7.912 1.665 -4.518
34 1HG PRO 5 2HG PRO 5 9.886 3.377 -5.969
35 2HG PRO 5 1HG PRO 5 8.115 3.419 -6.017
36 1HD PRO 5 2HD PRO 5 9.642 5.141 -4.542
37 2HD PRO 5 1HD PRO 5 7.976 4.701 -4.125
38 H LEU 6 H LEU 6 10.644 -0.104 -3.056
39 HA LEU 6 HA LEU 6 13.024 -0.061 -4.420
40 1HB LEU 6 2HB LEU 6 13.337 1.761 -2.474
41 2HB LEU 6 1HB LEU 6 13.789 0.325 -1.577
42 HG LEU 6 HG LEU 6 15.071 0.899 -4.223
43 1HD1 LEU 6 1HD1 LEU 6 16.644 2.336 -3.330
44 2HD1 LEU 6 2HD1 LEU 6 16.279 1.870 -1.668
45 3HD1 LEU 6 3HD1 LEU 6 15.154 2.890 -2.565
46 1HD2 LEU 6 1HD2 LEU 6 16.962 -0.169 -2.656
47 2HD2 LEU 6 2HD2 LEU 6 15.831 -1.139 -3.599
48 3HD2 LEU 6 3HD2 LEU 6 15.529 -0.850 -1.886
49 H ILE 7 H ILE 7 10.990 -1.830 -3.821
50 HA ILE 7 HA ILE 7 10.612 -4.010 -3.302
51 HB ILE 7 HB ILE 7 13.618 -4.043 -3.067
52 1HG1 ILE 7 2HG1 ILE 7 12.052 -5.429 -5.199
53 2HG1 ILE 7 1HG1 ILE 7 12.222 -3.680 -5.296
54 1HG2 ILE 7 1HG2 ILE 7 13.484 -6.470 -3.080
55 2HG2 ILE 7 2HG2 ILE 7 11.722 -6.389 -3.087
56 3HG2 ILE 7 3HG2 ILE 7 12.626 -5.815 -1.685
57 1HD1 ILE 7 1HD1 ILE 7 14.177 -3.987 -6.273
58 2HD1 ILE 7 2HD1 ILE 7 14.088 -5.728 -5.999
59 3HD1 ILE 7 3HD1 ILE 7 14.784 -4.674 -4.766
60 H CYS 8 H CYS 8 9.865 -5.000 -1.524
61 HA CYS 8 HA CYS 8 11.154 -4.476 1.051
62 1HB CYS 8 2HB CYS 8 8.740 -3.292 0.233
63 2HB CYS 8 1HB CYS 8 8.338 -4.510 1.430
64 H THR 9 H THR 9 8.031 -5.984 0.436
65 HA THR 9 HA THR 9 9.154 -8.508 1.434
66 HB THR 9 HB THR 9 6.646 -8.903 2.008
67 HG1 THR 9 1HG THR 9 5.833 -6.670 2.627
68 1HG2 THR 9 1HG2 THR 9 7.095 -8.423 4.147
69 2HG2 THR 9 2HG2 THR 9 7.604 -6.776 3.778
70 3HG2 THR 9 3HG2 THR 9 8.721 -8.120 3.535
71 H MET 10 H MET 10 8.965 -10.287 0.216
72 HA MET 10 HA MET 10 7.547 -10.034 -2.331
73 1HB MET 10 2HB MET 10 9.848 -11.657 -1.364
74 2HB MET 10 1HB MET 10 8.824 -12.375 -2.600
75 1HG MET 10 2HG MET 10 9.672 -11.087 -4.198
76 2HG MET 10 1HG MET 10 9.543 -9.631 -3.213
77 1HE MET 10 1HE MET 10 11.353 -12.545 -4.410
78 2HE MET 10 2HE MET 10 12.183 -12.984 -2.918
79 3HE MET 10 3HE MET 10 13.064 -12.168 -4.209
80 H GLN 11 H GLN 11 6.475 -10.669 0.455
81 HA GLN 11 HA GLN 11 5.190 -13.244 -0.110
82 1HB GLN 11 2HB GLN 11 4.992 -11.707 2.474
83 2HB GLN 11 1HB GLN 11 4.710 -13.421 2.202
84 1HG GLN 11 2HG GLN 11 6.991 -13.894 2.056
85 2HG GLN 11 1HG GLN 11 7.415 -12.202 1.796
86 1HE2 GLN 11 1HE2 GLN 11 5.545 -14.009 4.216
87 2HE2 GLN 11 2HE2 GLN 11 6.347 -13.333 5.589
88 H TYR 12 H TYR 12 4.030 -12.013 -1.779
89 HA TYR 12 HA TYR 12 2.459 -10.011 -1.963
90 1HB TYR 12 2HB TYR 12 2.159 -12.672 -2.870
91 2HB TYR 12 1HB TYR 12 0.573 -12.120 -2.341
92 HD1 TYR 12 1HD TYR 12 -0.617 -10.427 -3.539
93 HD2 TYR 12 2HD TYR 12 3.340 -11.484 -4.689
94 HE1 TYR 12 1HE TYR 12 -0.902 -9.184 -5.640
95 HE2 TYR 12 2HE TYR 12 3.067 -10.243 -6.794
96 HH TYR 12 HH TYR 12 0.209 -9.346 -8.043
97 H ASP 13 H ASP 13 1.803 -8.882 -0.247
98 HA ASP 13 HA ASP 13 -0.408 -10.016 1.333
99 1HB ASP 13 2HB ASP 13 2.032 -9.317 2.392
100 2HB ASP 13 1HB ASP 13 1.110 -7.831 2.599
101 HA PRO 14 HA PRO 14 -1.441 -6.344 -1.439
102 1HB PRO 14 2HB PRO 14 -3.991 -7.457 -1.835
103 2HB PRO 14 1HB PRO 14 -2.636 -7.510 -2.965
104 1HG PRO 14 2HG PRO 14 -3.544 -9.556 -0.993
105 2HG PRO 14 1HG PRO 14 -2.874 -9.780 -2.621
106 1HD PRO 14 2HD PRO 14 -1.378 -10.236 -0.462
107 2HD PRO 14 1HD PRO 14 -0.680 -9.441 -1.892
108 H VAL 15 H VAL 15 -1.834 -4.672 -0.160
109 HA VAL 15 HA VAL 15 -4.123 -4.812 1.672
110 HB VAL 15 HB VAL 15 -2.969 -3.300 3.130
111 1HG1 VAL 15 1HG1 VAL 15 -1.988 -5.031 4.106
112 2HG1 VAL 15 2HG1 VAL 15 -0.658 -4.945 2.952
113 3HG1 VAL 15 3HG1 VAL 15 -2.084 -5.915 2.582
114 1HG2 VAL 15 1HG2 VAL 15 -1.789 -1.896 1.635
115 2HG2 VAL 15 2HG2 VAL 15 -0.850 -3.250 1.009
116 3HG2 VAL 15 3HG2 VAL 15 -0.580 -2.675 2.654
117 H CYS 16 H CYS 16 -5.644 -3.387 1.401
118 HA CYS 16 HA CYS 16 -5.488 -1.523 -0.772
119 1HB CYS 16 2HB CYS 16 -7.524 -2.836 0.698
120 2HB CYS 16 1HB CYS 16 -7.778 -1.115 0.841
121 H GLY 17 H GLY 17 -4.947 0.568 -0.645
122 1HA GLY 17 2HA GLY 17 -4.521 1.631 2.051
123 2HA GLY 17 1HA GLY 17 -3.680 2.173 0.611
124 H SER 18 H SER 18 -5.393 3.408 2.774
125 HA SER 18 HA SER 18 -7.777 4.383 1.840
126 1HB SER 18 2HB SER 18 -6.019 4.967 3.984
127 2HB SER 18 1HB SER 18 -6.376 6.500 3.189
128 HG SER 18 HG SER 18 -8.090 6.347 4.436
129 H ASP 19 H ASP 19 -7.819 4.802 -0.232
130 HA ASP 19 HA ASP 19 -7.402 7.313 -1.243
131 1HB ASP 19 2HB ASP 19 -4.967 6.815 -0.980
132 2HB ASP 19 1HB ASP 19 -5.156 5.461 -2.089
133 H GLY 20 H GLY 20 -7.515 3.884 -1.722
134 1HA GLY 20 2HA GLY 20 -9.392 2.992 -2.972
135 2HA GLY 20 1HA GLY 20 -9.151 4.292 -4.134
136 H ILE 21 H ILE 21 -6.530 2.426 -2.681
137 HA ILE 21 HA ILE 21 -6.205 1.027 -5.254
138 HB ILE 21 HB ILE 21 -4.072 2.612 -3.845
139 1HG1 ILE 21 2HG1 ILE 21 -5.829 3.630 -5.522
140 2HG1 ILE 21 1HG1 ILE 21 -4.132 4.088 -5.618
141 1HG2 ILE 21 1HG2 ILE 21 -2.636 1.829 -5.779
142 2HG2 ILE 21 2HG2 ILE 21 -3.870 0.602 -6.069
143 3HG2 ILE 21 3HG2 ILE 21 -2.999 0.631 -4.536
144 1HD1 ILE 21 1HD1 ILE 21 -5.560 3.349 -7.735
145 2HD1 ILE 21 2HD1 ILE 21 -4.971 1.765 -7.233
146 3HD1 ILE 21 3HD1 ILE 21 -3.826 3.055 -7.601
147 H THR 22 H THR 22 -5.623 -1.035 -5.119
148 HA THR 22 HA THR 22 -5.004 -2.164 -2.489
149 HB THR 22 HB THR 22 -5.642 -3.519 -5.122
150 HG1 THR 22 1HG THR 22 -7.628 -3.940 -4.149
151 1HG2 THR 22 1HG2 THR 22 -6.055 -5.514 -3.659
152 2HG2 THR 22 2HG2 THR 22 -5.195 -4.655 -2.382
153 3HG2 THR 22 3HG2 THR 22 -4.363 -5.064 -3.882
154 H TYR 23 H TYR 23 -2.883 -1.896 -2.071
155 HA TYR 23 HA TYR 23 -0.916 -2.056 -4.145
156 1HB TYR 23 2HB TYR 23 -0.517 -1.780 -1.162
157 2HB TYR 23 1HB TYR 23 0.641 -1.400 -2.430
158 HD1 TYR 23 1HD TYR 23 0.477 0.651 -3.695
159 HD2 TYR 23 2HD TYR 23 -2.582 -0.412 -0.936
160 HE1 TYR 23 1HE TYR 23 -0.536 2.879 -3.959
161 HE2 TYR 23 2HE TYR 23 -3.588 1.817 -1.182
162 HH TYR 23 HH TYR 23 -1.988 4.383 -2.845
163 H GLY 24 H GLY 24 1.081 -3.330 -3.801
164 1HA GLY 24 2HA GLY 24 0.349 -6.110 -3.608
165 2HA GLY 24 1HA GLY 24 1.937 -5.476 -4.019
166 H ASN 25 H ASN 25 1.472 -3.785 -1.444
167 HA ASN 25 HA ASN 25 1.463 -5.473 0.748
168 1HB ASN 25 2HB ASN 25 4.098 -5.184 -0.603
169 2HB ASN 25 1HB ASN 25 4.088 -5.104 1.155
170 1HD2 ASN 25 1HD2 ASN 25 5.251 -7.121 -0.613
171 2HD2 ASN 25 2HD2 ASN 25 4.522 -8.619 -0.162
172 H ALA 26 H ALA 26 1.799 -4.366 2.719
173 HA ALA 26 HA ALA 26 1.095 -1.704 2.780
174 1HB ALA 26 1HB ALA 26 1.759 -3.656 4.679
175 2HB ALA 26 2HB ALA 26 1.073 -2.060 4.982
176 3HB ALA 26 3HB ALA 26 2.822 -2.288 5.012
177 H CYS 27 H CYS 27 4.184 -3.193 2.322
178 HA CYS 27 HA CYS 27 5.758 -0.822 2.696
179 1HB CYS 27 2HB CYS 27 6.232 -3.612 2.052
180 2HB CYS 27 1HB CYS 27 7.195 -2.535 1.059
181 H MET 28 H MET 28 4.524 -2.655 -0.053
182 HA MET 28 HA MET 28 5.659 -1.118 -2.085
183 1HB MET 28 2HB MET 28 3.045 -2.639 -1.988
184 2HB MET 28 1HB MET 28 3.713 -1.942 -3.460
185 1HG MET 28 2HG MET 28 5.629 -3.596 -2.032
186 2HG MET 28 1HG MET 28 4.176 -4.480 -2.497
187 1HE MET 28 1HE MET 28 3.641 -5.279 -4.833
188 2HE MET 28 2HE MET 28 4.184 -4.469 -6.304
189 3HE MET 28 3HE MET 28 3.161 -3.612 -5.150
190 H LEU 29 H LEU 29 2.974 -0.619 0.033
191 HA LEU 29 HA LEU 29 1.709 1.455 -1.309
192 1HB LEU 29 2HB LEU 29 1.305 0.031 0.982
193 2HB LEU 29 1HB LEU 29 1.719 1.621 1.599
194 HG LEU 29 HG LEU 29 -0.619 0.740 0.053
195 1HD1 LEU 29 1HD1 LEU 29 -0.130 1.621 2.612
196 2HD1 LEU 29 2HD1 LEU 29 -1.715 1.515 1.843
197 3HD1 LEU 29 3HD1 LEU 29 -0.821 3.036 1.819
198 1HD2 LEU 29 1HD2 LEU 29 0.538 3.519 -0.105
199 2HD2 LEU 29 2HD2 LEU 29 -1.098 3.089 -0.598
200 3HD2 LEU 29 3HD2 LEU 29 0.284 2.409 -1.444
201 H LEU 30 H LEU 30 4.118 1.521 1.311
202 HA LEU 30 HA LEU 30 4.268 4.230 1.661
203 1HB LEU 30 2HB LEU 30 6.445 3.955 2.542
204 2HB LEU 30 1HB LEU 30 5.580 2.478 2.919
205 HG LEU 30 HG LEU 30 6.792 1.917 0.505
206 1HD1 LEU 30 1HD1 LEU 30 8.095 4.040 0.838
207 2HD1 LEU 30 2HD1 LEU 30 9.063 2.578 0.643
208 3HD1 LEU 30 3HD1 LEU 30 8.830 3.275 2.246
209 1HD2 LEU 30 1HD2 LEU 30 8.326 1.190 2.892
210 2HD2 LEU 30 2HD2 LEU 30 7.579 0.165 1.667
211 3HD2 LEU 30 3HD2 LEU 30 6.604 0.819 2.982
212 H GLY 31 H GLY 31 5.662 2.222 -0.866
213 1HA GLY 31 2HA GLY 31 7.127 4.297 -2.151
214 2HA GLY 31 1HA GLY 31 6.609 2.786 -2.892
215 H ALA 32 H ALA 32 3.839 3.141 -2.345
216 HA ALA 32 HA ALA 32 3.017 4.495 -4.650
217 1HB ALA 32 1HB ALA 32 0.742 4.210 -3.727
218 2HB ALA 32 2HB ALA 32 1.458 3.681 -2.204
219 3HB ALA 32 3HB ALA 32 1.698 2.729 -3.669
220 H SER 33 H SER 33 2.947 5.453 -1.237
221 HA SER 33 HA SER 33 1.676 7.913 -1.541
222 1HB SER 33 2HB SER 33 3.620 8.153 0.524
223 2HB SER 33 1HB SER 33 1.889 7.855 0.686
224 HG SER 33 HG SER 33 3.127 6.194 1.645
225 H CYS 34 H CYS 34 5.156 7.163 -1.479
226 HA CYS 34 HA CYS 34 5.944 9.865 -1.999
227 1HB CYS 34 2HB CYS 34 7.536 8.442 -0.954
228 2HB CYS 34 1HB CYS 34 7.410 7.258 -2.246
229 H ARG 35 H ARG 35 5.297 7.112 -4.102
230 HA ARG 35 HA ARG 35 6.412 8.287 -6.431
231 1HB ARG 35 2HB ARG 35 4.465 6.026 -6.021
232 2HB ARG 35 1HB ARG 35 4.966 6.546 -7.623
233 1HG ARG 35 2HG ARG 35 6.677 5.365 -5.452
234 2HG ARG 35 1HG ARG 35 6.306 4.684 -7.033
235 1HD ARG 35 2HD ARG 35 7.457 7.244 -7.430
236 2HD ARG 35 1HD ARG 35 8.462 6.374 -6.275
237 HE ARG 35 HE ARG 35 8.975 4.814 -7.924
238 1HH1 ARG 35 1HH1 ARG 35 6.651 7.144 -9.082
239 2HH1 ARG 35 2HH1 ARG 35 6.857 6.711 -10.746
240 1HH2 ARG 35 1HH2 ARG 35 9.242 4.236 -10.112
241 2HH2 ARG 35 2HH2 ARG 35 8.328 5.058 -11.332
242 H SER 36 H SER 36 3.253 8.416 -4.943
243 HA SER 36 HA SER 36 2.111 9.794 -7.224
244 1HB SER 36 2HB SER 36 0.746 8.172 -5.997
245 2HB SER 36 1HB SER 36 0.917 9.117 -4.524
246 HG SER 36 HG SER 36 -0.024 10.881 -5.938
247 H ASP 37 H ASP 37 1.337 10.779 -3.968
248 HA ASP 37 HA ASP 37 2.998 12.985 -3.670
249 1HB ASP 37 2HB ASP 37 1.134 13.415 -5.725
250 2HB ASP 37 1HB ASP 37 0.514 14.306 -4.338
251 H THR 38 H THR 38 -0.176 11.594 -3.223
252 HA THR 38 HA THR 38 -0.584 12.985 -0.705
253 HB THR 38 HB THR 38 -2.578 12.810 -1.924
254 HG1 THR 38 1HG THR 38 -3.638 12.058 -0.299
255 1HG2 THR 38 1HG2 THR 38 -2.230 11.318 -3.649
256 2HG2 THR 38 2HG2 THR 38 -3.409 10.478 -2.641
257 3HG2 THR 38 3HG2 THR 38 -1.705 10.029 -2.567
258 HA PRO 39 HA PRO 39 1.182 9.635 1.627
259 1HB PRO 39 2HB PRO 39 -0.110 10.687 4.002
260 2HB PRO 39 1HB PRO 39 1.599 10.718 3.568
261 1HG PRO 39 2HG PRO 39 0.035 12.947 3.665
262 2HG PRO 39 1HG PRO 39 1.451 12.791 2.612
263 1HD PRO 39 2HD PRO 39 -1.453 12.510 1.944
264 2HD PRO 39 1HD PRO 39 -0.143 13.269 1.013
265 H ILE 40 H ILE 40 -0.759 8.461 0.352
266 HA ILE 40 HA ILE 40 -3.169 7.834 1.446
267 HB ILE 40 HB ILE 40 -3.131 5.780 0.260
268 1HG1 ILE 40 2HG1 ILE 40 -1.173 4.699 1.041
269 2HG1 ILE 40 1HG1 ILE 40 -0.926 4.921 -0.688
270 1HG2 ILE 40 1HG2 ILE 40 -1.244 7.163 -1.516
271 2HG2 ILE 40 2HG2 ILE 40 -2.586 8.143 -0.925
272 3HG2 ILE 40 3HG2 ILE 40 -2.906 6.647 -1.803
273 1HD1 ILE 40 1HD1 ILE 40 0.319 6.435 1.576
274 2HD1 ILE 40 2HD1 ILE 40 0.354 7.018 -0.088
275 3HD1 ILE 40 3HD1 ILE 40 1.109 5.478 0.323
276 H GLU 41 H GLU 41 -3.827 5.753 2.612
277 HA GLU 41 HA GLU 41 -1.811 5.049 4.652
278 1HB GLU 41 2HB GLU 41 -4.680 5.335 5.444
279 2HB GLU 41 1HB GLU 41 -3.234 5.448 6.437
280 1HG GLU 41 2HG GLU 41 -2.700 7.600 5.396
281 2HG GLU 41 1HG GLU 41 -4.174 7.488 4.436
282 H LEU 42 H LEU 42 -2.969 3.216 6.126
283 HA LEU 42 HA LEU 42 -3.799 1.163 4.191
284 1HB LEU 42 2HB LEU 42 -1.834 1.117 6.227
285 2HB LEU 42 1HB LEU 42 -3.126 0.046 6.739
286 HG LEU 42 HG LEU 42 -1.412 -1.185 5.511
287 1HD1 LEU 42 1HD1 LEU 42 -3.343 -1.458 3.445
288 2HD1 LEU 42 2HD1 LEU 42 -4.185 -1.152 4.963
289 3HD1 LEU 42 3HD1 LEU 42 -3.057 -2.503 4.836
290 1HD2 LEU 42 1HD2 LEU 42 -1.495 1.099 3.811
291 2HD2 LEU 42 2HD2 LEU 42 -1.885 -0.333 2.858
292 3HD2 LEU 42 3HD2 LEU 42 -0.379 -0.267 3.774
293 H VAL 43 H VAL 43 -5.737 0.198 4.373
294 HA VAL 43 HA VAL 43 -7.287 0.748 6.812
295 HB VAL 43 HB VAL 43 -8.060 2.225 5.045
296 1HG1 VAL 43 1HG1 VAL 43 -9.218 1.146 3.049
297 2HG1 VAL 43 2HG1 VAL 43 -8.318 -0.310 3.467
298 3HG1 VAL 43 3HG1 VAL 43 -7.454 1.168 3.048
299 1HG2 VAL 43 1HG2 VAL 43 -9.793 1.659 6.486
300 2HG2 VAL 43 2HG2 VAL 43 -9.874 0.000 5.892
301 3HG2 VAL 43 3HG2 VAL 43 -10.464 1.327 4.890
302 H HIS 44 H HIS 44 -6.890 -1.371 4.003
303 HA HIS 44 HA HIS 44 -7.970 -3.573 5.634
304 1HB HIS 44 2HB HIS 44 -8.297 -3.734 2.687
305 2HB HIS 44 1HB HIS 44 -9.341 -4.338 3.970
306 HD1 HIS 44 1HD HIS 44 -10.444 -2.115 5.387
307 HD2 HIS 44 2HD HIS 44 -9.487 -1.724 1.367
308 HE1 HIS 44 1HE HIS 44 -11.779 -0.154 4.567
309 HE2 HIS 44 2HE HIS 44 -11.137 0.107 2.147
310 H LYS 45 H LYS 45 -6.389 -4.971 6.043
311 HA LYS 45 HA LYS 45 -3.998 -5.066 4.458
312 1HB LYS 45 2HB LYS 45 -4.971 -6.424 6.935
313 2HB LYS 45 1HB LYS 45 -3.619 -7.133 6.063
314 1HG LYS 45 2HG LYS 45 -2.932 -4.475 6.220
315 2HG LYS 45 1HG LYS 45 -3.714 -4.785 7.771
316 1HD LYS 45 2HD LYS 45 -1.644 -6.665 6.691
317 2HD LYS 45 1HD LYS 45 -1.170 -5.197 7.547
318 1HE LYS 45 2HE LYS 45 -3.160 -6.356 9.123
319 2HE LYS 45 1HE LYS 45 -2.153 -7.701 8.591
320 1HZ LYS 45 1HZ LYS 45 -1.611 -6.083 10.682
321 2HZ LYS 45 2HZ LYS 45 -0.652 -5.406 9.464
322 3HZ LYS 45 3HZ LYS 45 -0.471 -7.037 9.874
323 H GLY 46 H GLY 46 -5.836 -5.616 2.659
324 1HA GLY 46 2HA GLY 46 -5.124 -8.188 1.697
325 2HA GLY 46 1HA GLY 46 -6.766 -8.206 2.324
326 H ARG 47 H ARG 47 -7.740 -8.539 0.337
327 HA ARG 47 HA ARG 47 -7.255 -6.615 -1.800
328 1HB ARG 47 2HB ARG 47 -9.417 -8.357 -2.438
329 2HB ARG 47 1HB ARG 47 -7.804 -8.319 -3.133
330 1HG ARG 47 2HG ARG 47 -7.018 -9.815 -1.351
331 2HG ARG 47 1HG ARG 47 -8.659 -9.884 -0.709
332 1HD ARG 47 2HD ARG 47 -7.686 -10.871 -3.383
333 2HD ARG 47 1HD ARG 47 -8.309 -11.834 -2.044
334 HE ARG 47 HE ARG 47 -10.404 -10.273 -2.593
335 1HH1 ARG 47 1HH1 ARG 47 -8.306 -12.116 -4.671
336 2HH1 ARG 47 2HH1 ARG 47 -9.526 -12.408 -5.865
337 1HH2 ARG 47 1HH2 ARG 47 -12.025 -10.652 -4.160
338 2HH2 ARG 47 2HH2 ARG 47 -11.640 -11.576 -5.575
339 H CYS 48 H CYS 48 -8.170 -5.125 0.097
340 HA CYS 48 HA CYS 48 -9.825 -3.749 0.848
341 1HB CYS 48 2HB CYS 48 -10.049 -3.998 -2.027
342 2HB CYS 48 1HB CYS 48 -11.608 -3.630 -1.299
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 4.634 8.079 10.035
2 2H LYS 1 2HT LYS 1 3.708 9.505 10.274
3 3H LYS 1 3HT LYS 1 5.420 9.559 10.392
4 HA LYS 1 HA LYS 1 3.824 9.010 7.981
5 1HB LYS 1 2HB LYS 1 5.074 11.387 9.206
6 2HB LYS 1 1HB LYS 1 5.386 11.184 7.487
7 1HG LYS 1 2HG LYS 1 3.428 12.603 7.963
8 2HG LYS 1 1HG LYS 1 3.031 11.173 7.006
9 1HD LYS 1 2HD LYS 1 1.969 10.123 8.792
10 2HD LYS 1 1HD LYS 1 2.766 11.143 9.991
11 1HE LYS 1 2HE LYS 1 1.432 13.029 9.370
12 2HE LYS 1 1HE LYS 1 0.764 12.167 7.986
13 1HZ LYS 1 1HZ LYS 1 -0.902 11.647 9.346
14 2HZ LYS 1 2HZ LYS 1 -0.052 12.111 10.733
15 3HZ LYS 1 3HZ LYS 1 0.160 10.561 10.093
16 HA PRO 2 HA PRO 2 7.975 6.950 7.570
17 1HB PRO 2 2HB PRO 2 7.041 4.719 6.353
18 2HB PRO 2 1HB PRO 2 7.076 4.901 8.110
19 1HG PRO 2 2HG PRO 2 4.789 5.279 6.212
20 2HG PRO 2 1HG PRO 2 4.814 4.455 7.783
21 1HD PRO 2 2HD PRO 2 3.875 6.977 7.478
22 2HD PRO 2 1HD PRO 2 4.679 6.431 8.965
23 H ASP 3 H ASP 3 8.640 5.656 5.394
24 HA ASP 3 HA ASP 3 7.552 6.926 3.019
25 1HB ASP 3 2HB ASP 3 9.832 7.994 4.312
26 2HB ASP 3 1HB ASP 3 10.411 7.172 2.866
27 H CYS 4 H CYS 4 8.860 6.132 1.040
28 HA CYS 4 HA CYS 4 8.534 3.559 0.506
29 1HB CYS 4 2HB CYS 4 11.208 4.184 -0.451
30 2HB CYS 4 1HB CYS 4 9.732 3.910 -1.362
31 HA PRO 5 HA PRO 5 11.207 1.292 3.215
32 1HB PRO 5 2HB PRO 5 10.360 -1.149 2.600
33 2HB PRO 5 1HB PRO 5 9.265 0.015 3.355
34 1HG PRO 5 2HG PRO 5 9.408 -0.888 0.522
35 2HG PRO 5 1HG PRO 5 7.996 -0.418 1.482
36 1HD PRO 5 2HD PRO 5 9.419 1.196 -0.361
37 2HD PRO 5 1HD PRO 5 8.151 1.724 0.759
38 H LEU 6 H LEU 6 12.481 2.214 0.862
39 HA LEU 6 HA LEU 6 13.970 1.586 -0.829
40 1HB LEU 6 2HB LEU 6 14.970 1.088 1.895
41 2HB LEU 6 1HB LEU 6 15.917 0.355 0.615
42 HG LEU 6 HG LEU 6 15.190 3.265 0.511
43 1HD1 LEU 6 1HD1 LEU 6 16.542 3.786 2.184
44 2HD1 LEU 6 2HD1 LEU 6 17.860 2.881 1.438
45 3HD1 LEU 6 3HD1 LEU 6 16.744 2.070 2.537
46 1HD2 LEU 6 1HD2 LEU 6 16.202 2.978 -1.462
47 2HD2 LEU 6 2HD2 LEU 6 16.856 1.408 -1.000
48 3HD2 LEU 6 3HD2 LEU 6 17.699 2.886 -0.535
49 H ILE 7 H ILE 7 12.214 -0.118 -1.485
50 HA ILE 7 HA ILE 7 11.813 -2.149 -2.431
51 HB ILE 7 HB ILE 7 14.761 -2.554 -1.932
52 1HG1 ILE 7 2HG1 ILE 7 14.347 -2.395 -4.648
53 2HG1 ILE 7 1HG1 ILE 7 13.185 -1.231 -4.020
54 1HG2 ILE 7 1HG2 ILE 7 14.198 -4.270 -3.921
55 2HG2 ILE 7 2HG2 ILE 7 12.683 -4.343 -3.020
56 3HG2 ILE 7 3HG2 ILE 7 14.206 -4.726 -2.217
57 1HD1 ILE 7 1HD1 ILE 7 16.109 -1.119 -4.117
58 2HD1 ILE 7 2HD1 ILE 7 15.391 -0.574 -2.600
59 3HD1 ILE 7 3HD1 ILE 7 14.915 0.180 -4.122
60 H CYS 8 H CYS 8 10.454 -3.162 -1.055
61 HA CYS 8 HA CYS 8 11.475 -4.320 1.397
62 1HB CYS 8 2HB CYS 8 9.047 -3.199 0.631
63 2HB CYS 8 1HB CYS 8 8.714 -4.885 0.988
64 H THR 9 H THR 9 8.949 -5.785 -0.574
65 HA THR 9 HA THR 9 10.535 -7.933 -1.519
66 HB THR 9 HB THR 9 10.619 -8.528 0.842
67 HG1 THR 9 1HG THR 9 10.488 -10.472 0.105
68 1HG2 THR 9 1HG2 THR 9 8.889 -8.608 2.268
69 2HG2 THR 9 2HG2 THR 9 7.761 -9.171 1.035
70 3HG2 THR 9 3HG2 THR 9 8.173 -7.460 1.136
71 H MET 10 H MET 10 8.490 -9.949 -1.250
72 HA MET 10 HA MET 10 6.507 -8.848 -3.119
73 1HB MET 10 2HB MET 10 7.874 -11.477 -2.883
74 2HB MET 10 1HB MET 10 6.204 -11.493 -3.433
75 1HG MET 10 2HG MET 10 6.727 -10.667 -5.440
76 2HG MET 10 1HG MET 10 7.881 -9.513 -4.776
77 1HE MET 10 1HE MET 10 7.587 -12.987 -6.710
78 2HE MET 10 2HE MET 10 9.088 -12.518 -7.509
79 3HE MET 10 3HE MET 10 7.755 -11.369 -7.391
80 H GLN 11 H GLN 11 6.897 -11.101 -0.428
81 HA GLN 11 HA GLN 11 5.068 -12.264 0.625
82 1HB GLN 11 2HB GLN 11 6.220 -9.886 1.741
83 2HB GLN 11 1HB GLN 11 4.554 -10.031 2.276
84 1HG GLN 11 2HG GLN 11 5.499 -11.260 3.902
85 2HG GLN 11 1HG GLN 11 5.353 -12.542 2.700
86 1HE2 GLN 11 1HE2 GLN 11 7.570 -10.047 3.867
87 2HE2 GLN 11 2HE2 GLN 11 9.018 -10.939 3.560
88 H TYR 12 H TYR 12 3.593 -12.081 -1.338
89 HA TYR 12 HA TYR 12 1.777 -10.268 -1.983
90 1HB TYR 12 2HB TYR 12 1.819 -13.098 -2.097
91 2HB TYR 12 1HB TYR 12 0.218 -12.613 -1.545
92 HD1 TYR 12 1HD TYR 12 -1.302 -11.459 -2.990
93 HD2 TYR 12 2HD TYR 12 2.645 -12.353 -4.304
94 HE1 TYR 12 1HE TYR 12 -1.945 -10.877 -5.290
95 HE2 TYR 12 2HE TYR 12 2.013 -11.776 -6.609
96 HH TYR 12 HH TYR 12 -0.594 -10.035 -7.418
97 H ASP 13 H ASP 13 1.297 -8.819 -0.423
98 HA ASP 13 HA ASP 13 -0.720 -9.663 1.538
99 1HB ASP 13 2HB ASP 13 1.601 -9.132 2.527
100 2HB ASP 13 1HB ASP 13 1.266 -7.460 2.090
101 HA PRO 14 HA PRO 14 -1.931 -6.330 -1.644
102 1HB PRO 14 2HB PRO 14 -4.481 -7.533 -1.751
103 2HB PRO 14 1HB PRO 14 -3.209 -7.652 -2.970
104 1HG PRO 14 2HG PRO 14 -3.920 -9.541 -0.776
105 2HG PRO 14 1HG PRO 14 -3.335 -9.887 -2.415
106 1HD PRO 14 2HD PRO 14 -1.706 -10.112 -0.320
107 2HD PRO 14 1HD PRO 14 -1.116 -9.421 -1.849
108 H VAL 15 H VAL 15 -1.812 -4.909 0.185
109 HA VAL 15 HA VAL 15 -4.085 -4.863 1.996
110 HB VAL 15 HB VAL 15 -2.864 -3.191 3.215
111 1HG1 VAL 15 1HG1 VAL 15 -0.580 -4.919 2.540
112 2HG1 VAL 15 2HG1 VAL 15 -2.070 -5.753 2.981
113 3HG1 VAL 15 3HG1 VAL 15 -1.340 -4.601 4.099
114 1HG2 VAL 15 1HG2 VAL 15 -0.687 -2.341 2.432
115 2HG2 VAL 15 2HG2 VAL 15 -2.017 -1.874 1.371
116 3HG2 VAL 15 3HG2 VAL 15 -0.933 -3.185 0.904
117 H CYS 16 H CYS 16 -5.741 -3.614 1.773
118 HA CYS 16 HA CYS 16 -5.957 -1.862 -0.488
119 1HB CYS 16 2HB CYS 16 -7.713 -3.280 1.208
120 2HB CYS 16 1HB CYS 16 -8.095 -1.580 1.356
121 H GLY 17 H GLY 17 -5.167 0.127 -0.453
122 1HA GLY 17 2HA GLY 17 -4.920 1.466 2.140
123 2HA GLY 17 1HA GLY 17 -3.996 1.858 0.704
124 H SER 18 H SER 18 -5.757 3.357 2.598
125 HA SER 18 HA SER 18 -8.110 4.209 1.472
126 1HB SER 18 2HB SER 18 -7.827 5.118 3.563
127 2HB SER 18 1HB SER 18 -6.113 5.433 3.305
128 HG SER 18 HG SER 18 -8.336 6.977 2.625
129 H ASP 19 H ASP 19 -8.096 4.372 -0.611
130 HA ASP 19 HA ASP 19 -7.599 6.750 -1.911
131 1HB ASP 19 2HB ASP 19 -5.182 5.412 -1.549
132 2HB ASP 19 1HB ASP 19 -5.652 4.986 -3.192
133 H GLY 20 H GLY 20 -7.804 3.289 -1.980
134 1HA GLY 20 2HA GLY 20 -9.775 2.327 -3.043
135 2HA GLY 20 1HA GLY 20 -9.509 3.448 -4.373
136 H ILE 21 H ILE 21 -6.933 1.674 -2.717
137 HA ILE 21 HA ILE 21 -6.750 -0.077 -5.073
138 HB ILE 21 HB ILE 21 -4.499 1.615 -4.027
139 1HG1 ILE 21 2HG1 ILE 21 -6.388 1.810 -6.283
140 2HG1 ILE 21 1HG1 ILE 21 -5.495 3.075 -5.450
141 1HG2 ILE 21 1HG2 ILE 21 -4.465 -0.459 -6.218
142 2HG2 ILE 21 2HG2 ILE 21 -3.745 -0.646 -4.620
143 3HG2 ILE 21 3HG2 ILE 21 -3.115 0.567 -5.733
144 1HD1 ILE 21 1HD1 ILE 21 -3.541 2.631 -6.753
145 2HD1 ILE 21 2HD1 ILE 21 -4.917 2.827 -7.840
146 3HD1 ILE 21 3HD1 ILE 21 -4.296 1.215 -7.484
147 H THR 22 H THR 22 -5.530 -1.945 -4.863
148 HA THR 22 HA THR 22 -5.038 -2.805 -2.087
149 HB THR 22 HB THR 22 -5.699 -4.454 -4.543
150 HG1 THR 22 1HG THR 22 -7.552 -3.571 -3.770
151 1HG2 THR 22 1HG2 THR 22 -4.512 -6.014 -3.414
152 2HG2 THR 22 2HG2 THR 22 -6.055 -6.188 -2.577
153 3HG2 THR 22 3HG2 THR 22 -4.759 -5.237 -1.850
154 H TYR 23 H TYR 23 -2.939 -2.274 -1.817
155 HA TYR 23 HA TYR 23 -0.990 -2.650 -3.876
156 1HB TYR 23 2HB TYR 23 -0.567 -1.900 -0.986
157 2HB TYR 23 1HB TYR 23 0.525 -1.613 -2.338
158 HD1 TYR 23 1HD TYR 23 -2.387 -0.429 -0.555
159 HD2 TYR 23 2HD TYR 23 -0.165 -0.026 -4.159
160 HE1 TYR 23 1HE TYR 23 -3.556 1.678 -1.034
161 HE2 TYR 23 2HE TYR 23 -1.321 2.090 -4.637
162 HH TYR 23 HH TYR 23 -2.512 3.889 -3.289
163 H GLY 24 H GLY 24 0.467 -4.150 -4.131
164 1HA GLY 24 2HA GLY 24 0.218 -6.740 -3.350
165 2HA GLY 24 1HA GLY 24 1.763 -6.026 -3.787
166 H ASN 25 H ASN 25 1.457 -4.152 -1.471
167 HA ASN 25 HA ASN 25 1.319 -5.541 0.920
168 1HB ASN 25 2HB ASN 25 3.787 -5.670 1.466
169 2HB ASN 25 1HB ASN 25 3.207 -6.850 0.295
170 1HD2 ASN 25 1HD2 ASN 25 4.408 -7.098 -1.428
171 2HD2 ASN 25 2HD2 ASN 25 5.490 -5.929 -2.097
172 H ALA 26 H ALA 26 1.759 -4.291 2.718
173 HA ALA 26 HA ALA 26 1.261 -1.595 2.524
174 1HB ALA 26 1HB ALA 26 0.901 -2.203 4.662
175 2HB ALA 26 2HB ALA 26 2.575 -1.696 4.891
176 3HB ALA 26 3HB ALA 26 2.195 -3.402 4.650
177 H CYS 27 H CYS 27 4.246 -3.297 2.140
178 HA CYS 27 HA CYS 27 5.958 -1.039 2.570
179 1HB CYS 27 2HB CYS 27 6.348 -3.768 1.384
180 2HB CYS 27 1HB CYS 27 7.550 -2.521 1.159
181 H MET 28 H MET 28 4.464 -2.602 -0.204
182 HA MET 28 HA MET 28 5.785 -1.115 -2.193
183 1HB MET 28 2HB MET 28 3.247 -2.709 -2.058
184 2HB MET 28 1HB MET 28 3.648 -1.804 -3.514
185 1HG MET 28 2HG MET 28 5.973 -3.206 -2.803
186 2HG MET 28 1HG MET 28 4.638 -4.340 -2.615
187 1HE MET 28 1HE MET 28 6.669 -2.349 -5.795
188 2HE MET 28 2HE MET 28 6.990 -4.074 -5.977
189 3HE MET 28 3HE MET 28 7.216 -3.295 -4.411
190 H LEU 29 H LEU 29 3.280 -0.375 -0.001
191 HA LEU 29 HA LEU 29 2.143 1.770 -1.503
192 1HB LEU 29 2HB LEU 29 1.690 0.488 1.054
193 2HB LEU 29 1HB LEU 29 1.593 2.235 1.186
194 HG LEU 29 HG LEU 29 -0.102 0.381 -0.430
195 1HD1 LEU 29 1HD1 LEU 29 -1.624 0.862 1.099
196 2HD1 LEU 29 2HD1 LEU 29 -1.421 2.590 0.810
197 3HD1 LEU 29 3HD1 LEU 29 -0.396 1.765 1.986
198 1HD2 LEU 29 1HD2 LEU 29 0.659 3.167 -1.052
199 2HD2 LEU 29 2HD2 LEU 29 -1.044 2.749 -1.215
200 3HD2 LEU 29 3HD2 LEU 29 0.175 1.861 -2.127
201 H LEU 30 H LEU 30 4.310 1.587 1.306
202 HA LEU 30 HA LEU 30 4.750 4.281 1.675
203 1HB LEU 30 2HB LEU 30 6.725 2.002 1.893
204 2HB LEU 30 1HB LEU 30 7.044 3.626 2.473
205 HG LEU 30 HG LEU 30 4.854 1.812 3.476
206 1HD1 LEU 30 1HD1 LEU 30 7.467 1.492 3.985
207 2HD1 LEU 30 2HD1 LEU 30 6.200 1.145 5.161
208 3HD1 LEU 30 3HD1 LEU 30 7.065 2.682 5.223
209 1HD2 LEU 30 1HD2 LEU 30 5.662 4.619 4.139
210 2HD2 LEU 30 2HD2 LEU 30 4.862 3.596 5.332
211 3HD2 LEU 30 3HD2 LEU 30 4.055 3.972 3.809
212 H GLY 31 H GLY 31 5.972 2.125 -0.789
213 1HA GLY 31 2HA GLY 31 7.849 4.022 -1.871
214 2HA GLY 31 1HA GLY 31 7.314 2.527 -2.635
215 H ALA 32 H ALA 32 4.486 3.289 -2.251
216 HA ALA 32 HA ALA 32 4.165 4.755 -4.708
217 1HB ALA 32 1HB ALA 32 2.484 3.109 -2.959
218 2HB ALA 32 2HB ALA 32 2.515 3.233 -4.718
219 3HB ALA 32 3HB ALA 32 1.645 4.436 -3.764
220 H SER 33 H SER 33 3.021 5.227 -1.358
221 HA SER 33 HA SER 33 1.932 7.783 -1.778
222 1HB SER 33 2HB SER 33 1.214 7.358 0.301
223 2HB SER 33 1HB SER 33 2.342 6.011 0.438
224 HG SER 33 HG SER 33 3.742 7.260 1.469
225 H CYS 34 H CYS 34 5.182 6.712 -1.252
226 HA CYS 34 HA CYS 34 6.176 9.340 -0.567
227 1HB CYS 34 2HB CYS 34 8.260 8.328 -0.235
228 2HB CYS 34 1HB CYS 34 7.111 7.081 0.237
229 H ARG 35 H ARG 35 5.940 7.335 -3.430
230 HA ARG 35 HA ARG 35 7.522 9.284 -4.944
231 1HB ARG 35 2HB ARG 35 6.533 6.527 -5.680
232 2HB ARG 35 1HB ARG 35 7.423 7.582 -6.770
233 1HG ARG 35 2HG ARG 35 8.369 6.053 -4.411
234 2HG ARG 35 1HG ARG 35 9.127 6.296 -5.985
235 1HD ARG 35 2HD ARG 35 8.927 8.311 -3.751
236 2HD ARG 35 1HD ARG 35 10.381 7.459 -4.270
237 HE ARG 35 HE ARG 35 9.293 8.865 -6.451
238 1HH1 ARG 35 1HH1 ARG 35 10.928 9.417 -3.429
239 2HH1 ARG 35 2HH1 ARG 35 11.661 10.899 -3.944
240 1HH2 ARG 35 1HH2 ARG 35 10.255 10.816 -7.147
241 2HH2 ARG 35 2HH2 ARG 35 11.281 11.694 -6.062
242 H SER 36 H SER 36 4.418 9.028 -4.061
243 HA SER 36 HA SER 36 3.259 9.635 -6.662
244 1HB SER 36 2HB SER 36 2.073 8.069 -5.200
245 2HB SER 36 1HB SER 36 1.951 9.303 -3.952
246 HG SER 36 HG SER 36 0.781 9.374 -6.538
247 H ASP 37 H ASP 37 1.895 11.108 -3.833
248 HA ASP 37 HA ASP 37 3.174 13.574 -3.813
249 1HB ASP 37 2HB ASP 37 2.188 13.577 -6.186
250 2HB ASP 37 1HB ASP 37 0.622 13.758 -5.403
251 H THR 38 H THR 38 0.228 11.742 -3.431
252 HA THR 38 HA THR 38 -0.496 13.420 -1.121
253 HB THR 38 HB THR 38 -2.279 11.720 -2.878
254 HG1 THR 38 1HG THR 38 -2.165 13.506 -3.997
255 1HG2 THR 38 1HG2 THR 38 -2.864 12.035 -0.351
256 2HG2 THR 38 2HG2 THR 38 -4.098 12.225 -1.597
257 3HG2 THR 38 3HG2 THR 38 -3.342 13.648 -0.881
258 HA PRO 39 HA PRO 39 1.103 9.781 1.050
259 1HB PRO 39 2HB PRO 39 -0.197 11.386 3.212
260 2HB PRO 39 1HB PRO 39 1.378 10.582 3.200
261 1HG PRO 39 2HG PRO 39 1.204 13.216 2.864
262 2HG PRO 39 1HG PRO 39 2.371 12.256 1.937
263 1HD PRO 39 2HD PRO 39 -0.189 13.491 1.058
264 2HD PRO 39 1HD PRO 39 1.302 13.203 0.141
265 H ILE 40 H ILE 40 -0.394 8.291 0.185
266 HA ILE 40 HA ILE 40 -3.120 8.162 0.845
267 HB ILE 40 HB ILE 40 -3.065 5.909 -0.015
268 1HG1 ILE 40 2HG1 ILE 40 -0.354 5.989 0.950
269 2HG1 ILE 40 1HG1 ILE 40 -1.311 4.598 0.462
270 1HG2 ILE 40 1HG2 ILE 40 -1.116 7.454 -1.693
271 2HG2 ILE 40 2HG2 ILE 40 -2.803 7.943 -1.530
272 3HG2 ILE 40 3HG2 ILE 40 -2.403 6.368 -2.217
273 1HD1 ILE 40 1HD1 ILE 40 0.910 5.006 -0.719
274 2HD1 ILE 40 2HD1 ILE 40 0.084 6.321 -1.552
275 3HD1 ILE 40 3HD1 ILE 40 -0.498 4.665 -1.723
276 H GLU 41 H GLU 41 -3.922 5.971 1.954
277 HA GLU 41 HA GLU 41 -2.355 5.538 4.404
278 1HB GLU 41 2HB GLU 41 -5.085 6.663 4.191
279 2HB GLU 41 1HB GLU 41 -4.818 5.484 5.469
280 1HG GLU 41 2HG GLU 41 -2.648 7.112 5.735
281 2HG GLU 41 1HG GLU 41 -3.899 8.245 5.224
282 H LEU 42 H LEU 42 -3.731 3.780 5.783
283 HA LEU 42 HA LEU 42 -4.317 1.591 3.898
284 1HB LEU 42 2HB LEU 42 -2.318 1.730 5.898
285 2HB LEU 42 1HB LEU 42 -3.524 0.584 6.456
286 HG LEU 42 HG LEU 42 -1.688 -0.499 5.206
287 1HD1 LEU 42 1HD1 LEU 42 -3.415 -1.400 3.334
288 2HD1 LEU 42 2HD1 LEU 42 -4.529 -0.668 4.489
289 3HD1 LEU 42 3HD1 LEU 42 -3.410 -1.924 5.018
290 1HD2 LEU 42 1HD2 LEU 42 -1.638 -0.186 2.739
291 2HD2 LEU 42 2HD2 LEU 42 -1.106 1.227 3.650
292 3HD2 LEU 42 3HD2 LEU 42 -2.719 1.193 2.937
293 H VAL 43 H VAL 43 -6.115 0.392 4.215
294 HA VAL 43 HA VAL 43 -7.792 1.105 6.529
295 HB VAL 43 HB VAL 43 -9.563 0.059 4.732
296 1HG1 VAL 43 1HG1 VAL 43 -9.431 2.271 6.152
297 2HG1 VAL 43 2HG1 VAL 43 -10.533 2.132 4.782
298 3HG1 VAL 43 3HG1 VAL 43 -8.996 2.977 4.595
299 1HG2 VAL 43 1HG2 VAL 43 -8.101 -0.073 2.884
300 2HG2 VAL 43 2HG2 VAL 43 -7.423 1.524 3.207
301 3HG2 VAL 43 3HG2 VAL 43 -9.078 1.370 2.615
302 H HIS 44 H HIS 44 -7.226 -1.513 4.185
303 HA HIS 44 HA HIS 44 -7.589 -3.437 6.379
304 1HB HIS 44 2HB HIS 44 -8.489 -4.465 3.801
305 2HB HIS 44 1HB HIS 44 -9.279 -4.528 5.373
306 HD1 HIS 44 1HD HIS 44 -10.703 -2.356 6.026
307 HD2 HIS 44 2HD HIS 44 -9.543 -2.643 2.046
308 HE1 HIS 44 1HE HIS 44 -12.151 -0.719 4.782
309 HE2 HIS 44 2HE HIS 44 -11.492 -0.974 2.364
310 H LYS 45 H LYS 45 -6.406 -5.358 6.215
311 HA LYS 45 HA LYS 45 -4.059 -5.150 4.490
312 1HB LYS 45 2HB LYS 45 -4.639 -7.064 6.761
313 2HB LYS 45 1HB LYS 45 -3.109 -6.915 5.908
314 1HG LYS 45 2HG LYS 45 -3.030 -4.526 6.694
315 2HG LYS 45 1HG LYS 45 -4.408 -4.908 7.729
316 1HD LYS 45 2HD LYS 45 -2.533 -6.956 8.146
317 2HD LYS 45 1HD LYS 45 -1.613 -5.449 8.139
318 1HE LYS 45 2HE LYS 45 -2.504 -6.191 10.382
319 2HE LYS 45 1HE LYS 45 -2.899 -4.542 9.901
320 1HZ LYS 45 1HZ LYS 45 -4.868 -6.437 9.050
321 2HZ LYS 45 2HZ LYS 45 -5.060 -5.003 9.927
322 3HZ LYS 45 3HZ LYS 45 -4.669 -6.438 10.730
323 H GLY 46 H GLY 46 -5.993 -5.687 2.822
324 1HA GLY 46 2HA GLY 46 -5.331 -8.181 1.706
325 2HA GLY 46 1HA GLY 46 -6.866 -8.331 2.550
326 H ARG 47 H ARG 47 -7.856 -8.782 0.520
327 HA ARG 47 HA ARG 47 -7.861 -6.730 -1.512
328 1HB ARG 47 2HB ARG 47 -9.739 -9.067 -1.467
329 2HB ARG 47 1HB ARG 47 -9.030 -8.243 -2.850
330 1HG ARG 47 2HG ARG 47 -6.869 -9.210 -2.364
331 2HG ARG 47 1HG ARG 47 -7.510 -9.967 -0.904
332 1HD ARG 47 2HD ARG 47 -7.820 -11.750 -2.233
333 2HD ARG 47 1HD ARG 47 -9.251 -10.877 -2.778
334 HE ARG 47 HE ARG 47 -6.783 -11.281 -4.245
335 1HH1 ARG 47 1HH1 ARG 47 -9.802 -9.559 -4.008
336 2HH1 ARG 47 2HH1 ARG 47 -9.827 -9.115 -5.682
337 1HH2 ARG 47 1HH2 ARG 47 -6.808 -10.701 -6.448
338 2HH2 ARG 47 2HH2 ARG 47 -8.126 -9.765 -7.069
339 H CYS 48 H CYS 48 -8.681 -5.378 0.537
340 HA CYS 48 HA CYS 48 -10.380 -4.250 1.580
341 1HB CYS 48 2HB CYS 48 -10.865 -4.281 -1.323
342 2HB CYS 48 1HB CYS 48 -12.255 -3.814 -0.348
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 5.660 11.914 7.051
2 2H LYS 1 2HT LYS 1 5.470 13.349 7.973
3 3H LYS 1 3HT LYS 1 6.461 12.076 8.557
4 HA LYS 1 HA LYS 1 6.994 14.129 6.617
5 1HB LYS 1 2HB LYS 1 7.952 13.583 9.016
6 2HB LYS 1 1HB LYS 1 8.990 12.482 8.120
7 1HG LYS 1 2HG LYS 1 10.266 14.400 8.238
8 2HG LYS 1 1HG LYS 1 9.509 14.545 6.650
9 1HD LYS 1 2HD LYS 1 7.688 15.731 8.365
10 2HD LYS 1 1HD LYS 1 9.256 16.241 8.995
11 1HE LYS 1 2HE LYS 1 8.238 16.573 6.177
12 2HE LYS 1 1HE LYS 1 8.473 17.848 7.371
13 1HZ LYS 1 1HZ LYS 1 10.840 17.423 7.326
14 2HZ LYS 1 2HZ LYS 1 10.286 17.752 5.763
15 3HZ LYS 1 3HZ LYS 1 10.630 16.161 6.219
16 HA PRO 2 HA PRO 2 9.181 10.414 4.559
17 1HB PRO 2 2HB PRO 2 8.822 7.936 5.490
18 2HB PRO 2 1HB PRO 2 9.949 9.052 6.270
19 1HG PRO 2 2HG PRO 2 7.186 8.271 7.085
20 2HG PRO 2 1HG PRO 2 8.618 8.540 8.092
21 1HD PRO 2 2HD PRO 2 6.583 10.384 7.685
22 2HD PRO 2 1HD PRO 2 8.220 10.780 8.240
23 H ASP 3 H ASP 3 8.581 8.566 3.107
24 HA ASP 3 HA ASP 3 5.993 7.573 2.824
25 1HB ASP 3 2HB ASP 3 5.527 9.040 0.662
26 2HB ASP 3 1HB ASP 3 4.994 9.567 2.256
27 H CYS 4 H CYS 4 8.475 6.490 2.593
28 HA CYS 4 HA CYS 4 8.378 5.416 -0.080
29 1HB CYS 4 2HB CYS 4 10.191 7.527 0.521
30 2HB CYS 4 1HB CYS 4 11.131 6.052 0.334
31 HA PRO 5 HA PRO 5 9.926 1.999 2.263
32 1HB PRO 5 2HB PRO 5 9.880 0.169 0.325
33 2HB PRO 5 1HB PRO 5 8.390 0.915 0.909
34 1HG PRO 5 2HG PRO 5 9.874 1.382 -1.617
35 2HG PRO 5 1HG PRO 5 8.138 1.506 -1.292
36 1HD PRO 5 2HD PRO 5 10.038 3.623 -1.383
37 2HD PRO 5 1HD PRO 5 8.331 3.730 -0.914
38 H LEU 6 H LEU 6 11.411 -0.065 1.350
39 HA LEU 6 HA LEU 6 13.834 0.793 0.068
40 1HB LEU 6 2HB LEU 6 15.298 0.285 1.989
41 2HB LEU 6 1HB LEU 6 14.271 1.678 2.277
42 HG LEU 6 HG LEU 6 13.638 -1.084 3.308
43 1HD1 LEU 6 1HD1 LEU 6 14.531 0.950 5.214
44 2HD1 LEU 6 2HD1 LEU 6 15.785 0.373 4.117
45 3HD1 LEU 6 3HD1 LEU 6 14.902 -0.772 5.129
46 1HD2 LEU 6 1HD2 LEU 6 11.668 0.184 3.267
47 2HD2 LEU 6 2HD2 LEU 6 12.501 1.656 3.767
48 3HD2 LEU 6 3HD2 LEU 6 12.265 0.341 4.919
49 H ILE 7 H ILE 7 12.174 -1.092 -0.801
50 HA ILE 7 HA ILE 7 12.029 -3.259 -1.478
51 HB ILE 7 HB ILE 7 14.833 -3.402 -0.377
52 1HG1 ILE 7 2HG1 ILE 7 14.546 -1.822 -2.240
53 2HG1 ILE 7 1HG1 ILE 7 15.509 -3.213 -2.728
54 1HG2 ILE 7 1HG2 ILE 7 14.691 -5.369 -2.232
55 2HG2 ILE 7 2HG2 ILE 7 13.064 -5.434 -1.553
56 3HG2 ILE 7 3HG2 ILE 7 14.467 -5.621 -0.501
57 1HD1 ILE 7 1HD1 ILE 7 12.579 -2.848 -3.307
58 2HD1 ILE 7 2HD1 ILE 7 13.603 -4.172 -3.860
59 3HD1 ILE 7 3HD1 ILE 7 13.894 -2.531 -4.438
60 H CYS 8 H CYS 8 10.382 -3.736 0.009
61 HA CYS 8 HA CYS 8 11.026 -4.668 2.642
62 1HB CYS 8 2HB CYS 8 8.735 -3.689 1.373
63 2HB CYS 8 1HB CYS 8 8.352 -5.330 1.875
64 H THR 9 H THR 9 8.918 -6.384 0.375
65 HA THR 9 HA THR 9 10.601 -8.678 0.221
66 HB THR 9 HB THR 9 9.982 -8.988 2.517
67 HG1 THR 9 1HG THR 9 9.697 -11.003 2.076
68 1HG2 THR 9 1HG2 THR 9 7.152 -8.588 1.597
69 2HG2 THR 9 2HG2 THR 9 8.048 -7.656 2.797
70 3HG2 THR 9 3HG2 THR 9 7.579 -9.321 3.144
71 H MET 10 H MET 10 9.113 -10.677 -0.403
72 HA MET 10 HA MET 10 7.259 -9.697 -2.467
73 1HB MET 10 2HB MET 10 7.858 -11.550 -3.825
74 2HB MET 10 1HB MET 10 9.368 -10.891 -3.211
75 1HG MET 10 2HG MET 10 8.889 -12.714 -1.315
76 2HG MET 10 1HG MET 10 8.068 -13.482 -2.672
77 1HE MET 10 1HE MET 10 10.852 -15.264 -1.651
78 2HE MET 10 2HE MET 10 10.584 -13.812 -0.685
79 3HE MET 10 3HE MET 10 12.126 -14.052 -1.508
80 H GLN 11 H GLN 11 6.823 -10.439 0.427
81 HA GLN 11 HA GLN 11 5.249 -12.846 0.367
82 1HB GLN 11 2HB GLN 11 5.929 -10.778 2.407
83 2HB GLN 11 1HB GLN 11 4.505 -11.772 2.681
84 1HG GLN 11 2HG GLN 11 7.248 -12.880 2.140
85 2HG GLN 11 1HG GLN 11 6.589 -12.609 3.753
86 1HE2 GLN 11 1HE2 GLN 11 6.710 -14.796 4.255
87 2HE2 GLN 11 2HE2 GLN 11 5.612 -15.953 3.592
88 H TYR 12 H TYR 12 4.200 -11.672 -1.603
89 HA TYR 12 HA TYR 12 2.532 -9.740 -1.903
90 1HB TYR 12 2HB TYR 12 2.459 -12.428 -2.791
91 2HB TYR 12 1HB TYR 12 0.812 -11.960 -2.378
92 HD1 TYR 12 1HD TYR 12 3.684 -10.159 -3.949
93 HD2 TYR 12 2HD TYR 12 -0.377 -11.384 -4.270
94 HE1 TYR 12 1HE TYR 12 3.496 -8.956 -6.084
95 HE2 TYR 12 2HE TYR 12 -0.576 -10.184 -6.408
96 HH TYR 12 HH TYR 12 1.992 -9.174 -8.192
97 H ASP 13 H ASP 13 1.774 -8.685 -0.154
98 HA ASP 13 HA ASP 13 -0.488 -9.941 1.249
99 1HB ASP 13 2HB ASP 13 1.902 -8.926 2.396
100 2HB ASP 13 1HB ASP 13 0.627 -7.773 2.779
101 HA PRO 14 HA PRO 14 -1.621 -6.299 -1.507
102 1HB PRO 14 2HB PRO 14 -4.144 -7.481 -1.873
103 2HB PRO 14 1HB PRO 14 -2.794 -7.517 -3.010
104 1HG PRO 14 2HG PRO 14 -3.636 -9.553 -1.000
105 2HG PRO 14 1HG PRO 14 -2.981 -9.788 -2.633
106 1HD PRO 14 2HD PRO 14 -1.447 -10.181 -0.495
107 2HD PRO 14 1HD PRO 14 -0.785 -9.373 -1.935
108 H VAL 15 H VAL 15 -1.892 -4.716 -0.026
109 HA VAL 15 HA VAL 15 -4.181 -4.897 1.802
110 HB VAL 15 HB VAL 15 -3.053 -3.134 3.087
111 1HG1 VAL 15 1HG1 VAL 15 -2.345 -5.806 2.941
112 2HG1 VAL 15 2HG1 VAL 15 -1.965 -4.692 4.254
113 3HG1 VAL 15 3HG1 VAL 15 -0.804 -4.950 2.952
114 1HG2 VAL 15 1HG2 VAL 15 -0.792 -3.458 1.124
115 2HG2 VAL 15 2HG2 VAL 15 -0.791 -2.431 2.558
116 3HG2 VAL 15 3HG2 VAL 15 -1.876 -2.070 1.215
117 H CYS 16 H CYS 16 -5.812 -3.576 1.577
118 HA CYS 16 HA CYS 16 -5.891 -1.809 -0.680
119 1HB CYS 16 2HB CYS 16 -7.760 -3.181 0.932
120 2HB CYS 16 1HB CYS 16 -8.099 -1.471 1.069
121 H GLY 17 H GLY 17 -5.034 0.136 -0.606
122 1HA GLY 17 2HA GLY 17 -4.717 1.435 1.983
123 2HA GLY 17 1HA GLY 17 -3.882 1.868 0.502
124 H SER 18 H SER 18 -5.679 3.188 2.608
125 HA SER 18 HA SER 18 -8.007 4.118 1.413
126 1HB SER 18 2HB SER 18 -6.560 4.654 3.792
127 2HB SER 18 1HB SER 18 -6.844 6.205 3.000
128 HG SER 18 HG SER 18 -8.808 4.258 3.633
129 H ASP 19 H ASP 19 -7.692 4.516 -0.635
130 HA ASP 19 HA ASP 19 -7.043 7.114 -1.476
131 1HB ASP 19 2HB ASP 19 -4.719 5.929 -1.127
132 2HB ASP 19 1HB ASP 19 -5.121 5.114 -2.636
133 H GLY 20 H GLY 20 -7.402 3.714 -2.183
134 1HA GLY 20 2HA GLY 20 -9.510 3.283 -3.477
135 2HA GLY 20 1HA GLY 20 -8.828 4.388 -4.662
136 H ILE 21 H ILE 21 -6.744 2.131 -2.925
137 HA ILE 21 HA ILE 21 -6.860 0.309 -5.198
138 HB ILE 21 HB ILE 21 -4.792 2.301 -4.879
139 1HG1 ILE 21 2HG1 ILE 21 -4.434 0.781 -7.210
140 2HG1 ILE 21 1HG1 ILE 21 -6.165 0.780 -6.893
141 1HG2 ILE 21 1HG2 ILE 21 -3.775 -0.490 -5.383
142 2HG2 ILE 21 2HG2 ILE 21 -3.600 0.346 -3.840
143 3HG2 ILE 21 3HG2 ILE 21 -2.839 1.000 -5.289
144 1HD1 ILE 21 1HD1 ILE 21 -4.642 2.775 -8.112
145 2HD1 ILE 21 2HD1 ILE 21 -5.114 3.411 -6.535
146 3HD1 ILE 21 3HD1 ILE 21 -6.346 2.835 -7.659
147 H THR 22 H THR 22 -5.305 -1.481 -5.027
148 HA THR 22 HA THR 22 -4.978 -2.388 -2.237
149 HB THR 22 HB THR 22 -5.785 -3.951 -4.696
150 HG1 THR 22 1HG THR 22 -7.685 -3.793 -3.859
151 1HG2 THR 22 1HG2 THR 22 -5.934 -5.899 -3.121
152 2HG2 THR 22 2HG2 THR 22 -4.942 -4.967 -2.001
153 3HG2 THR 22 3HG2 THR 22 -4.305 -5.412 -3.585
154 H TYR 23 H TYR 23 -2.846 -1.960 -1.954
155 HA TYR 23 HA TYR 23 -0.914 -2.457 -4.020
156 1HB TYR 23 2HB TYR 23 -0.398 -1.675 -1.157
157 2HB TYR 23 1HB TYR 23 0.637 -1.416 -2.553
158 HD1 TYR 23 1HD TYR 23 -2.436 -0.350 -0.863
159 HD2 TYR 23 2HD TYR 23 0.167 0.362 -4.150
160 HE1 TYR 23 1HE TYR 23 -3.591 1.773 -1.305
161 HE2 TYR 23 2HE TYR 23 -0.971 2.496 -4.591
162 HH TYR 23 HH TYR 23 -3.654 3.611 -2.549
163 H GLY 24 H GLY 24 0.508 -4.013 -4.203
164 1HA GLY 24 2HA GLY 24 0.114 -6.563 -3.328
165 2HA GLY 24 1HA GLY 24 1.698 -5.945 -3.778
166 H ASN 25 H ASN 25 1.559 -3.950 -1.607
167 HA ASN 25 HA ASN 25 1.359 -5.284 0.864
168 1HB ASN 25 2HB ASN 25 4.085 -5.111 -0.386
169 2HB ASN 25 1HB ASN 25 3.897 -5.102 1.361
170 1HD2 ASN 25 1HD2 ASN 25 5.091 -7.044 -0.560
171 2HD2 ASN 25 2HD2 ASN 25 4.337 -8.552 -0.182
172 H ALA 26 H ALA 26 1.636 -3.926 2.622
173 HA ALA 26 HA ALA 26 1.117 -1.236 2.282
174 1HB ALA 26 1HB ALA 26 2.488 -2.561 4.625
175 2HB ALA 26 2HB ALA 26 0.747 -2.379 4.401
176 3HB ALA 26 3HB ALA 26 1.760 -0.954 4.639
177 H CYS 27 H CYS 27 4.120 -2.971 2.244
178 HA CYS 27 HA CYS 27 5.832 -0.697 2.517
179 1HB CYS 27 2HB CYS 27 6.313 -3.480 1.443
180 2HB CYS 27 1HB CYS 27 7.573 -2.275 1.662
181 H MET 28 H MET 28 4.578 -2.629 -0.156
182 HA MET 28 HA MET 28 5.928 -1.273 -2.216
183 1HB MET 28 2HB MET 28 3.313 -2.793 -2.179
184 2HB MET 28 1HB MET 28 4.093 -2.220 -3.650
185 1HG MET 28 2HG MET 28 6.108 -3.580 -2.338
186 2HG MET 28 1HG MET 28 4.676 -4.553 -2.021
187 1HE MET 28 1HE MET 28 7.343 -3.685 -5.026
188 2HE MET 28 2HE MET 28 6.209 -2.382 -4.669
189 3HE MET 28 3HE MET 28 6.074 -3.280 -6.182
190 H LEU 29 H LEU 29 3.372 -0.478 -0.129
191 HA LEU 29 HA LEU 29 2.074 1.484 -1.706
192 1HB LEU 29 2HB LEU 29 1.816 0.349 0.899
193 2HB LEU 29 1HB LEU 29 1.857 2.099 1.054
194 HG LEU 29 HG LEU 29 -0.087 0.413 -0.469
195 1HD1 LEU 29 1HD1 LEU 29 -1.008 0.671 1.584
196 2HD1 LEU 29 2HD1 LEU 29 -1.554 2.183 0.859
197 3HD1 LEU 29 3HD1 LEU 29 -0.136 2.168 1.909
198 1HD2 LEU 29 1HD2 LEU 29 0.629 3.295 -0.819
199 2HD2 LEU 29 2HD2 LEU 29 -1.009 2.735 -1.135
200 3HD2 LEU 29 3HD2 LEU 29 0.343 2.068 -2.044
201 H LEU 30 H LEU 30 4.564 1.566 0.818
202 HA LEU 30 HA LEU 30 4.952 4.281 1.020
203 1HB LEU 30 2HB LEU 30 6.866 1.969 1.139
204 2HB LEU 30 1HB LEU 30 7.455 3.613 1.282
205 HG LEU 30 HG LEU 30 5.214 2.993 3.058
206 1HD1 LEU 30 1HD1 LEU 30 6.154 1.414 4.404
207 2HD1 LEU 30 2HD1 LEU 30 7.801 1.837 3.938
208 3HD1 LEU 30 3HD1 LEU 30 6.793 0.883 2.849
209 1HD2 LEU 30 1HD2 LEU 30 6.968 3.990 4.676
210 2HD2 LEU 30 2HD2 LEU 30 6.237 5.033 3.454
211 3HD2 LEU 30 3HD2 LEU 30 7.858 4.381 3.204
212 H GLY 31 H GLY 31 5.957 2.038 -1.474
213 1HA GLY 31 2HA GLY 31 7.539 3.939 -2.933
214 2HA GLY 31 1HA GLY 31 6.930 2.405 -3.548
215 H ALA 32 H ALA 32 4.194 3.010 -2.832
216 HA ALA 32 HA ALA 32 3.381 4.327 -5.221
217 1HB ALA 32 1HB ALA 32 2.114 2.853 -3.038
218 2HB ALA 32 2HB ALA 32 1.749 2.864 -4.763
219 3HB ALA 32 3HB ALA 32 1.116 4.138 -3.719
220 H SER 33 H SER 33 2.884 5.114 -1.772
221 HA SER 33 HA SER 33 1.713 7.603 -2.109
222 1HB SER 33 2HB SER 33 1.674 7.292 0.124
223 2HB SER 33 1HB SER 33 3.034 6.171 0.058
224 HG SER 33 HG SER 33 3.131 8.470 1.120
225 H CYS 34 H CYS 34 5.103 6.685 -2.044
226 HA CYS 34 HA CYS 34 6.275 9.217 -2.103
227 1HB CYS 34 2HB CYS 34 7.161 6.600 -2.185
228 2HB CYS 34 1HB CYS 34 7.645 7.230 -3.755
229 H ARG 35 H ARG 35 5.044 7.186 -4.709
230 HA ARG 35 HA ARG 35 5.945 8.903 -6.806
231 1HB ARG 35 2HB ARG 35 3.968 6.627 -6.754
232 2HB ARG 35 1HB ARG 35 4.405 7.490 -8.221
233 1HG ARG 35 2HG ARG 35 6.438 6.516 -8.357
234 2HG ARG 35 1HG ARG 35 6.639 6.437 -6.605
235 1HD ARG 35 2HD ARG 35 4.633 4.697 -6.873
236 2HD ARG 35 1HD ARG 35 5.365 4.515 -8.467
237 HE ARG 35 HE ARG 35 7.373 4.379 -6.507
238 1HH1 ARG 35 1HH1 ARG 35 4.667 2.556 -7.716
239 2HH1 ARG 35 2HH1 ARG 35 5.337 1.021 -7.276
240 1HH2 ARG 35 1HH2 ARG 35 8.267 2.367 -5.921
241 2HH2 ARG 35 2HH2 ARG 35 7.384 0.913 -6.249
242 H SER 36 H SER 36 3.144 8.887 -4.768
243 HA SER 36 HA SER 36 1.581 10.488 -6.602
244 1HB SER 36 2HB SER 36 0.437 8.847 -5.208
245 2HB SER 36 1HB SER 36 1.038 9.631 -3.749
246 HG SER 36 HG SER 36 -0.269 11.339 -5.444
247 H ASP 37 H ASP 37 1.470 11.349 -3.253
248 HA ASP 37 HA ASP 37 3.318 13.423 -3.149
249 1HB ASP 37 2HB ASP 37 1.324 15.232 -3.276
250 2HB ASP 37 1HB ASP 37 2.350 14.830 -4.650
251 H THR 38 H THR 38 0.206 12.152 -2.209
252 HA THR 38 HA THR 38 0.414 13.413 0.422
253 HB THR 38 HB THR 38 -1.834 13.380 0.503
254 HG1 THR 38 1HG THR 38 -1.980 11.157 0.809
255 1HG2 THR 38 1HG2 THR 38 -2.866 13.819 -1.463
256 2HG2 THR 38 2HG2 THR 38 -2.099 12.468 -2.297
257 3HG2 THR 38 3HG2 THR 38 -1.187 13.944 -1.986
258 HA PRO 39 HA PRO 39 1.516 9.623 2.380
259 1HB PRO 39 2HB PRO 39 0.491 9.936 4.839
260 2HB PRO 39 1HB PRO 39 1.796 10.971 4.242
261 1HG PRO 39 2HG PRO 39 -1.138 11.533 4.413
262 2HG PRO 39 1HG PRO 39 0.227 12.589 4.813
263 1HD PRO 39 2HD PRO 39 -1.162 12.710 2.450
264 2HD PRO 39 1HD PRO 39 0.524 13.230 2.635
265 H ILE 40 H ILE 40 0.168 8.297 0.974
266 HA ILE 40 HA ILE 40 -2.425 7.608 1.116
267 HB ILE 40 HB ILE 40 -0.110 6.415 0.101
268 1HG1 ILE 40 2HG1 ILE 40 -2.469 4.864 -0.494
269 2HG1 ILE 40 1HG1 ILE 40 -2.843 6.585 -0.482
270 1HG2 ILE 40 1HG2 ILE 40 -1.607 4.442 1.812
271 2HG2 ILE 40 2HG2 ILE 40 0.096 4.887 1.926
272 3HG2 ILE 40 3HG2 ILE 40 -0.491 3.998 0.524
273 1HD1 ILE 40 1HD1 ILE 40 -0.541 5.424 -2.016
274 2HD1 ILE 40 2HD1 ILE 40 -1.244 7.034 -2.158
275 3HD1 ILE 40 3HD1 ILE 40 -2.156 5.622 -2.694
276 H GLU 41 H GLU 41 -3.709 6.057 2.280
277 HA GLU 41 HA GLU 41 -2.635 5.458 4.965
278 1HB GLU 41 2HB GLU 41 -5.397 6.321 4.132
279 2HB GLU 41 1HB GLU 41 -5.094 5.537 5.675
280 1HG GLU 41 2HG GLU 41 -3.274 7.738 5.211
281 2HG GLU 41 1HG GLU 41 -4.961 8.245 5.130
282 H LEU 42 H LEU 42 -4.263 3.697 5.998
283 HA LEU 42 HA LEU 42 -4.615 1.586 3.977
284 1HB LEU 42 2HB LEU 42 -2.801 1.585 6.157
285 2HB LEU 42 1HB LEU 42 -4.064 0.425 6.529
286 HG LEU 42 HG LEU 42 -2.117 -0.594 5.382
287 1HD1 LEU 42 1HD1 LEU 42 -3.811 -2.003 4.972
288 2HD1 LEU 42 2HD1 LEU 42 -3.691 -1.379 3.327
289 3HD1 LEU 42 3HD1 LEU 42 -4.891 -0.716 4.435
290 1HD2 LEU 42 1HD2 LEU 42 -1.194 0.796 3.855
291 2HD2 LEU 42 2HD2 LEU 42 -2.738 1.537 3.434
292 3HD2 LEU 42 3HD2 LEU 42 -2.303 -0.037 2.767
293 H VAL 43 H VAL 43 -6.443 0.413 4.086
294 HA VAL 43 HA VAL 43 -8.320 1.089 6.250
295 HB VAL 43 HB VAL 43 -9.412 0.021 3.721
296 1HG1 VAL 43 1HG1 VAL 43 -10.985 0.605 5.366
297 2HG1 VAL 43 2HG1 VAL 43 -11.036 1.925 4.196
298 3HG1 VAL 43 3HG1 VAL 43 -10.171 2.130 5.719
299 1HG2 VAL 43 1HG2 VAL 43 -7.819 2.508 3.842
300 2HG2 VAL 43 2HG2 VAL 43 -9.363 2.594 2.995
301 3HG2 VAL 43 3HG2 VAL 43 -8.140 1.430 2.484
302 H HIS 44 H HIS 44 -7.322 -1.480 4.020
303 HA HIS 44 HA HIS 44 -7.937 -3.453 6.084
304 1HB HIS 44 2HB HIS 44 -8.763 -4.420 3.466
305 2HB HIS 44 1HB HIS 44 -9.629 -4.459 5.000
306 HD1 HIS 44 1HD HIS 44 -11.028 -2.276 5.591
307 HD2 HIS 44 2HD HIS 44 -9.603 -2.500 1.698
308 HE1 HIS 44 1HE HIS 44 -12.292 -0.525 4.310
309 HE2 HIS 44 2HE HIS 44 -11.508 -0.765 1.930
310 H LYS 45 H LYS 45 -6.307 -4.828 6.291
311 HA LYS 45 HA LYS 45 -4.104 -4.782 4.467
312 1HB LYS 45 2HB LYS 45 -4.297 -6.920 6.518
313 2HB LYS 45 1HB LYS 45 -2.934 -5.895 6.087
314 1HG LYS 45 2HG LYS 45 -3.331 -4.758 7.947
315 2HG LYS 45 1HG LYS 45 -4.795 -4.146 7.173
316 1HD LYS 45 2HD LYS 45 -6.035 -5.211 8.677
317 2HD LYS 45 1HD LYS 45 -5.346 -6.752 8.157
318 1HE LYS 45 2HE LYS 45 -4.944 -6.562 10.492
319 2HE LYS 45 1HE LYS 45 -3.404 -6.283 9.677
320 1HZ LYS 45 1HZ LYS 45 -4.151 -4.713 11.569
321 2HZ LYS 45 2HZ LYS 45 -5.120 -3.998 10.382
322 3HZ LYS 45 3HZ LYS 45 -3.441 -4.053 10.181
323 H GLY 46 H GLY 46 -5.903 -5.480 2.771
324 1HA GLY 46 2HA GLY 46 -5.147 -8.037 1.841
325 2HA GLY 46 1HA GLY 46 -6.740 -8.133 2.579
326 H ARG 47 H ARG 47 -7.663 -8.659 0.551
327 HA ARG 47 HA ARG 47 -7.508 -6.686 -1.577
328 1HB ARG 47 2HB ARG 47 -9.376 -9.023 -1.642
329 2HB ARG 47 1HB ARG 47 -8.494 -8.265 -2.961
330 1HG ARG 47 2HG ARG 47 -6.437 -9.269 -2.236
331 2HG ARG 47 1HG ARG 47 -7.220 -9.915 -0.790
332 1HD ARG 47 2HD ARG 47 -7.751 -10.677 -3.657
333 2HD ARG 47 1HD ARG 47 -7.022 -11.680 -2.402
334 HE ARG 47 HE ARG 47 -9.553 -10.902 -1.521
335 1HH1 ARG 47 1HH1 ARG 47 -8.120 -12.849 -4.025
336 2HH1 ARG 47 2HH1 ARG 47 -9.470 -13.929 -4.139
337 1HH2 ARG 47 1HH2 ARG 47 -11.338 -12.313 -1.662
338 2HH2 ARG 47 2HH2 ARG 47 -11.301 -13.624 -2.794
339 H CYS 48 H CYS 48 -8.496 -5.312 0.383
340 HA CYS 48 HA CYS 48 -10.274 -4.173 1.255
341 1HB CYS 48 2HB CYS 48 -10.578 -4.348 -1.653
342 2HB CYS 48 1HB CYS 48 -12.070 -3.957 -0.805
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 6.653 9.590 9.727
2 2H LYS 1 2HT LYS 1 5.170 10.283 10.241
3 3H LYS 1 3HT LYS 1 6.075 11.021 8.983
4 HA LYS 1 HA LYS 1 4.510 8.551 8.951
5 1HB LYS 1 2HB LYS 1 4.662 10.669 6.837
6 2HB LYS 1 1HB LYS 1 3.312 9.628 7.274
7 1HG LYS 1 2HG LYS 1 2.909 10.904 9.273
8 2HG LYS 1 1HG LYS 1 4.347 11.884 8.977
9 1HD LYS 1 2HD LYS 1 3.284 12.587 6.804
10 2HD LYS 1 1HD LYS 1 1.807 11.798 7.361
11 1HE LYS 1 2HE LYS 1 1.390 13.382 8.941
12 2HE LYS 1 1HE LYS 1 3.100 13.720 9.210
13 1HZ LYS 1 1HZ LYS 1 1.391 15.291 7.823
14 2HZ LYS 1 2HZ LYS 1 2.188 14.456 6.586
15 3HZ LYS 1 3HZ LYS 1 3.079 15.351 7.711
16 HA PRO 2 HA PRO 2 7.409 6.385 6.455
17 1HB PRO 2 2HB PRO 2 5.714 5.298 4.566
18 2HB PRO 2 1HB PRO 2 5.976 4.635 6.182
19 1HG PRO 2 2HG PRO 2 3.756 6.365 5.177
20 2HG PRO 2 1HG PRO 2 3.690 4.988 6.293
21 1HD PRO 2 2HD PRO 2 3.559 7.521 7.174
22 2HD PRO 2 1HD PRO 2 4.393 6.255 8.099
23 H ASP 3 H ASP 3 7.434 5.853 3.805
24 HA ASP 3 HA ASP 3 6.844 8.040 2.111
25 1HB ASP 3 2HB ASP 3 8.965 9.053 1.809
26 2HB ASP 3 1HB ASP 3 8.703 8.997 3.549
27 H CYS 4 H CYS 4 9.076 7.792 0.403
28 HA CYS 4 HA CYS 4 8.361 5.902 -1.375
29 1HB CYS 4 2HB CYS 4 11.274 6.463 -0.855
30 2HB CYS 4 1HB CYS 4 10.494 6.097 -2.392
31 HA PRO 5 HA PRO 5 9.598 1.959 0.162
32 1HB PRO 5 2HB PRO 5 9.978 0.561 -2.075
33 2HB PRO 5 1HB PRO 5 8.404 1.256 -1.684
34 1HG PRO 5 2HG PRO 5 10.424 2.145 -3.668
35 2HG PRO 5 1HG PRO 5 8.661 2.287 -3.720
36 1HD PRO 5 2HD PRO 5 10.528 4.286 -2.959
37 2HD PRO 5 1HD PRO 5 8.763 4.372 -2.840
38 H LEU 6 H LEU 6 11.190 0.085 -0.188
39 HA LEU 6 HA LEU 6 13.809 0.684 -1.137
40 1HB LEU 6 2HB LEU 6 14.986 0.672 0.974
41 2HB LEU 6 1HB LEU 6 13.818 1.981 0.959
42 HG LEU 6 HG LEU 6 13.115 -0.647 2.218
43 1HD1 LEU 6 1HD1 LEU 6 14.973 1.430 3.250
44 2HD1 LEU 6 2HD1 LEU 6 14.987 -0.318 3.483
45 3HD1 LEU 6 3HD1 LEU 6 13.841 0.681 4.375
46 1HD2 LEU 6 1HD2 LEU 6 11.785 1.779 1.815
47 2HD2 LEU 6 2HD2 LEU 6 12.209 1.749 3.528
48 3HD2 LEU 6 3HD2 LEU 6 11.270 0.430 2.828
49 H ILE 7 H ILE 7 11.997 -1.326 -1.669
50 HA ILE 7 HA ILE 7 11.815 -3.583 -1.890
51 HB ILE 7 HB ILE 7 14.683 -3.502 -0.957
52 1HG1 ILE 7 2HG1 ILE 7 13.683 -3.899 -3.770
53 2HG1 ILE 7 1HG1 ILE 7 13.954 -2.288 -3.110
54 1HG2 ILE 7 1HG2 ILE 7 13.438 -5.717 -0.724
55 2HG2 ILE 7 2HG2 ILE 7 14.942 -5.730 -1.644
56 3HG2 ILE 7 3HG2 ILE 7 13.393 -5.741 -2.487
57 1HD1 ILE 7 1HD1 ILE 7 15.819 -3.363 -4.480
58 2HD1 ILE 7 2HD1 ILE 7 16.101 -4.370 -3.060
59 3HD1 ILE 7 3HD1 ILE 7 16.249 -2.616 -2.942
60 H CYS 8 H CYS 8 10.262 -3.773 -0.218
61 HA CYS 8 HA CYS 8 11.154 -4.382 2.459
62 1HB CYS 8 2HB CYS 8 8.802 -3.355 1.353
63 2HB CYS 8 1HB CYS 8 8.374 -4.887 2.101
64 H THR 9 H THR 9 8.839 -6.112 0.391
65 HA THR 9 HA THR 9 10.300 -8.560 0.542
66 HB THR 9 HB THR 9 9.410 -8.473 2.840
67 HG1 THR 9 1HG THR 9 8.445 -10.529 2.780
68 1HG2 THR 9 1HG2 THR 9 7.407 -7.566 3.157
69 2HG2 THR 9 2HG2 THR 9 6.762 -9.126 2.647
70 3HG2 THR 9 3HG2 THR 9 6.928 -7.816 1.478
71 H MET 10 H MET 10 9.367 -10.249 -0.690
72 HA MET 10 HA MET 10 7.375 -9.283 -2.603
73 1HB MET 10 2HB MET 10 9.753 -10.733 -2.906
74 2HB MET 10 1HB MET 10 8.466 -11.891 -3.220
75 1HG MET 10 2HG MET 10 8.591 -11.089 -5.305
76 2HG MET 10 1HG MET 10 7.586 -9.793 -4.660
77 1HE MET 10 1HE MET 10 11.986 -9.564 -5.891
78 2HE MET 10 2HE MET 10 10.781 -10.734 -6.433
79 3HE MET 10 3HE MET 10 11.423 -10.825 -4.793
80 H GLN 11 H GLN 11 6.810 -10.288 0.149
81 HA GLN 11 HA GLN 11 5.400 -12.779 -0.254
82 1HB GLN 11 2HB GLN 11 6.423 -11.379 1.977
83 2HB GLN 11 1HB GLN 11 4.678 -11.424 2.186
84 1HG GLN 11 2HG GLN 11 5.301 -13.996 1.415
85 2HG GLN 11 1HG GLN 11 6.643 -13.537 2.460
86 1HE2 GLN 11 1HE2 GLN 11 5.728 -12.176 4.436
87 2HE2 GLN 11 2HE2 GLN 11 4.461 -12.979 5.295
88 H TYR 12 H TYR 12 4.296 -11.559 -2.073
89 HA TYR 12 HA TYR 12 2.599 -9.660 -2.320
90 1HB TYR 12 2HB TYR 12 2.533 -12.332 -3.251
91 2HB TYR 12 1HB TYR 12 0.888 -11.890 -2.800
92 HD1 TYR 12 1HD TYR 12 -0.410 -11.046 -4.495
93 HD2 TYR 12 2HD TYR 12 3.777 -10.287 -4.565
94 HE1 TYR 12 1HE TYR 12 -0.673 -9.815 -6.606
95 HE2 TYR 12 2HE TYR 12 3.522 -9.052 -6.676
96 HH TYR 12 HH TYR 12 0.684 -7.915 -7.810
97 H ASP 13 H ASP 13 1.834 -8.622 -0.568
98 HA ASP 13 HA ASP 13 -0.384 -9.922 0.867
99 1HB ASP 13 2HB ASP 13 1.978 -9.056 2.031
100 2HB ASP 13 1HB ASP 13 0.885 -7.702 2.294
101 HA PRO 14 HA PRO 14 -1.584 -6.199 -1.788
102 1HB PRO 14 2HB PRO 14 -4.056 -7.448 -2.278
103 2HB PRO 14 1HB PRO 14 -2.682 -7.377 -3.385
104 1HG PRO 14 2HG PRO 14 -3.503 -9.552 -1.516
105 2HG PRO 14 1HG PRO 14 -2.796 -9.670 -3.139
106 1HD PRO 14 2HD PRO 14 -1.312 -10.132 -0.973
107 2HD PRO 14 1HD PRO 14 -0.636 -9.243 -2.358
108 H VAL 15 H VAL 15 -1.892 -4.761 -0.144
109 HA VAL 15 HA VAL 15 -4.231 -5.129 1.595
110 HB VAL 15 HB VAL 15 -3.150 -3.475 3.057
111 1HG1 VAL 15 1HG1 VAL 15 -2.168 -5.177 4.094
112 2HG1 VAL 15 2HG1 VAL 15 -0.874 -5.206 2.897
113 3HG1 VAL 15 3HG1 VAL 15 -2.353 -6.125 2.620
114 1HG2 VAL 15 1HG2 VAL 15 -1.230 -2.359 2.579
115 2HG2 VAL 15 2HG2 VAL 15 -1.830 -2.580 0.936
116 3HG2 VAL 15 3HG2 VAL 15 -0.595 -3.663 1.577
117 H CYS 16 H CYS 16 -5.789 -3.660 1.682
118 HA CYS 16 HA CYS 16 -5.991 -1.806 -0.496
119 1HB CYS 16 2HB CYS 16 -7.758 -3.187 1.203
120 2HB CYS 16 1HB CYS 16 -8.022 -1.478 1.459
121 H GLY 17 H GLY 17 -5.145 0.156 -0.444
122 1HA GLY 17 2HA GLY 17 -4.618 1.368 2.168
123 2HA GLY 17 1HA GLY 17 -3.833 1.806 0.663
124 H SER 18 H SER 18 -5.510 3.138 2.859
125 HA SER 18 HA SER 18 -7.875 4.146 1.879
126 1HB SER 18 2HB SER 18 -6.306 6.175 3.275
127 2HB SER 18 1HB SER 18 -7.820 5.405 3.748
128 HG SER 18 HG SER 18 -6.274 4.813 5.230
129 H ASP 19 H ASP 19 -7.814 4.503 -0.213
130 HA ASP 19 HA ASP 19 -7.262 7.027 -1.225
131 1HB ASP 19 2HB ASP 19 -4.956 6.761 -1.333
132 2HB ASP 19 1HB ASP 19 -5.065 5.017 -1.540
133 H GLY 20 H GLY 20 -7.509 3.593 -1.736
134 1HA GLY 20 2HA GLY 20 -9.594 2.880 -2.851
135 2HA GLY 20 1HA GLY 20 -9.219 4.077 -4.083
136 H ILE 21 H ILE 21 -6.805 1.973 -2.555
137 HA ILE 21 HA ILE 21 -6.787 0.332 -4.984
138 HB ILE 21 HB ILE 21 -4.504 2.059 -4.092
139 1HG1 ILE 21 2HG1 ILE 21 -6.207 1.802 -6.546
140 2HG1 ILE 21 1HG1 ILE 21 -5.802 3.245 -5.622
141 1HG2 ILE 21 1HG2 ILE 21 -4.428 -0.310 -5.953
142 2HG2 ILE 21 2HG2 ILE 21 -3.539 -0.110 -4.443
143 3HG2 ILE 21 3HG2 ILE 21 -3.151 0.901 -5.836
144 1HD1 ILE 21 1HD1 ILE 21 -3.511 3.126 -6.473
145 2HD1 ILE 21 2HD1 ILE 21 -4.700 3.267 -7.767
146 3HD1 ILE 21 3HD1 ILE 21 -3.950 1.708 -7.423
147 H THR 22 H THR 22 -5.449 -1.524 -4.911
148 HA THR 22 HA THR 22 -4.973 -2.521 -2.180
149 HB THR 22 HB THR 22 -5.601 -4.030 -4.729
150 HG1 THR 22 1HG THR 22 -7.288 -2.886 -3.371
151 1HG2 THR 22 1HG2 THR 22 -5.590 -6.049 -3.501
152 2HG2 THR 22 2HG2 THR 22 -5.328 -5.199 -1.977
153 3HG2 THR 22 3HG2 THR 22 -4.049 -5.250 -3.190
154 H TYR 23 H TYR 23 -2.871 -1.982 -1.863
155 HA TYR 23 HA TYR 23 -0.911 -2.283 -3.933
156 1HB TYR 23 2HB TYR 23 -0.488 -1.600 -1.027
157 2HB TYR 23 1HB TYR 23 0.594 -1.272 -2.375
158 HD1 TYR 23 1HD TYR 23 -2.523 -0.300 -0.728
159 HD2 TYR 23 2HD TYR 23 0.083 0.492 -3.996
160 HE1 TYR 23 1HE TYR 23 -3.724 1.797 -1.166
161 HE2 TYR 23 2HE TYR 23 -1.103 2.600 -4.432
162 HH TYR 23 HH TYR 23 -2.584 4.100 -3.564
163 H GLY 24 H GLY 24 0.546 -3.765 -4.212
164 1HA GLY 24 2HA GLY 24 0.294 -6.370 -3.491
165 2HA GLY 24 1HA GLY 24 1.848 -5.646 -3.885
166 H ASN 25 H ASN 25 1.603 -3.804 -1.596
167 HA ASN 25 HA ASN 25 1.458 -5.329 0.772
168 1HB ASN 25 2HB ASN 25 4.173 -4.871 -0.428
169 2HB ASN 25 1HB ASN 25 3.971 -5.019 1.312
170 1HD2 ASN 25 1HD2 ASN 25 5.283 -6.710 -0.791
171 2HD2 ASN 25 2HD2 ASN 25 4.645 -8.293 -0.529
172 H ALA 26 H ALA 26 1.607 -4.089 2.624
173 HA ALA 26 HA ALA 26 0.953 -1.398 2.448
174 1HB ALA 26 1HB ALA 26 2.182 -2.938 4.731
175 2HB ALA 26 2HB ALA 26 0.470 -2.615 4.455
176 3HB ALA 26 3HB ALA 26 1.561 -1.294 4.874
177 H CYS 27 H CYS 27 4.001 -3.004 2.443
178 HA CYS 27 HA CYS 27 5.631 -0.730 2.985
179 1HB CYS 27 2HB CYS 27 6.122 -3.513 2.015
180 2HB CYS 27 1HB CYS 27 7.360 -2.299 1.751
181 H MET 28 H MET 28 4.467 -2.415 0.133
182 HA MET 28 HA MET 28 5.930 -0.872 -1.738
183 1HB MET 28 2HB MET 28 3.373 -2.464 -2.022
184 2HB MET 28 1HB MET 28 4.317 -1.833 -3.368
185 1HG MET 28 2HG MET 28 5.966 -3.366 -1.555
186 2HG MET 28 1HG MET 28 4.594 -4.309 -2.135
187 1HE MET 28 1HE MET 28 7.731 -5.409 -4.304
188 2HE MET 28 2HE MET 28 6.411 -6.021 -3.307
189 3HE MET 28 3HE MET 28 7.642 -4.975 -2.598
190 H LEU 29 H LEU 29 3.277 -0.252 0.258
191 HA LEU 29 HA LEU 29 1.965 1.668 -1.353
192 1HB LEU 29 2HB LEU 29 1.547 0.403 1.137
193 2HB LEU 29 1HB LEU 29 1.544 2.136 1.424
194 HG LEU 29 HG LEU 29 -0.276 0.514 -0.276
195 1HD1 LEU 29 1HD1 LEU 29 -1.377 2.737 1.184
196 2HD1 LEU 29 2HD1 LEU 29 -0.445 1.673 2.236
197 3HD1 LEU 29 3HD1 LEU 29 -1.775 1.022 1.278
198 1HD2 LEU 29 1HD2 LEU 29 0.232 2.146 -1.846
199 2HD2 LEU 29 2HD2 LEU 29 0.493 3.379 -0.622
200 3HD2 LEU 29 3HD2 LEU 29 -1.144 2.853 -1.004
201 H LEU 30 H LEU 30 3.871 2.052 1.648
202 HA LEU 30 HA LEU 30 4.035 4.809 1.547
203 1HB LEU 30 2HB LEU 30 6.117 4.654 2.830
204 2HB LEU 30 1HB LEU 30 4.890 3.569 3.452
205 HG LEU 30 HG LEU 30 6.573 2.221 1.527
206 1HD1 LEU 30 1HD1 LEU 30 7.921 4.090 3.188
207 2HD1 LEU 30 2HD1 LEU 30 8.609 2.895 2.088
208 3HD1 LEU 30 3HD1 LEU 30 8.290 2.466 3.768
209 1HD2 LEU 30 1HD2 LEU 30 5.962 1.825 4.450
210 2HD2 LEU 30 2HD2 LEU 30 6.828 0.670 3.437
211 3HD2 LEU 30 3HD2 LEU 30 5.146 1.067 3.082
212 H GLY 31 H GLY 31 5.716 2.393 -0.317
213 1HA GLY 31 2HA GLY 31 7.595 4.213 -1.489
214 2HA GLY 31 1HA GLY 31 7.217 2.595 -2.065
215 H ALA 32 H ALA 32 4.375 3.112 -2.175
216 HA ALA 32 HA ALA 32 4.227 4.175 -4.822
217 1HB ALA 32 1HB ALA 32 1.737 3.802 -4.449
218 2HB ALA 32 2HB ALA 32 2.191 3.125 -2.883
219 3HB ALA 32 3HB ALA 32 2.780 2.382 -4.370
220 H SER 33 H SER 33 2.717 5.133 -1.730
221 HA SER 33 HA SER 33 1.512 7.468 -2.494
222 1HB SER 33 2HB SER 33 2.716 8.058 -0.007
223 2HB SER 33 1HB SER 33 1.085 7.450 -0.289
224 HG SER 33 HG SER 33 2.379 6.125 1.123
225 H CYS 34 H CYS 34 4.898 6.817 -1.978
226 HA CYS 34 HA CYS 34 5.787 9.521 -2.018
227 1HB CYS 34 2HB CYS 34 7.390 8.115 -1.123
228 2HB CYS 34 1HB CYS 34 7.094 6.854 -2.314
229 H ARG 35 H ARG 35 5.633 7.021 -4.531
230 HA ARG 35 HA ARG 35 6.747 8.525 -6.610
231 1HB ARG 35 2HB ARG 35 4.683 6.323 -6.788
232 2HB ARG 35 1HB ARG 35 5.673 6.906 -8.119
233 1HG ARG 35 2HG ARG 35 6.735 5.624 -5.612
234 2HG ARG 35 1HG ARG 35 6.503 4.803 -7.156
235 1HD ARG 35 2HD ARG 35 8.083 7.295 -7.228
236 2HD ARG 35 1HD ARG 35 8.824 5.933 -6.391
237 HE ARG 35 HE ARG 35 8.941 4.771 -8.404
238 1HH1 ARG 35 1HH1 ARG 35 7.336 7.842 -8.825
239 2HH1 ARG 35 2HH1 ARG 35 7.460 7.811 -10.551
240 1HH2 ARG 35 1HH2 ARG 35 9.112 4.734 -10.673
241 2HH2 ARG 35 2HH2 ARG 35 8.469 6.046 -11.601
242 H SER 36 H SER 36 3.566 8.567 -5.229
243 HA SER 36 HA SER 36 2.435 10.026 -7.463
244 1HB SER 36 2HB SER 36 1.087 8.345 -6.277
245 2HB SER 36 1HB SER 36 1.217 9.284 -4.793
246 HG SER 36 HG SER 36 0.280 10.642 -7.023
247 H ASP 37 H ASP 37 1.242 11.098 -4.449
248 HA ASP 37 HA ASP 37 2.979 13.183 -3.819
249 1HB ASP 37 2HB ASP 37 1.697 15.102 -4.770
250 2HB ASP 37 1HB ASP 37 2.487 14.111 -5.992
251 H THR 38 H THR 38 1.213 11.257 -2.594
252 HA THR 38 HA THR 38 -0.047 12.997 -0.678
253 HB THR 38 HB THR 38 -2.025 11.026 -1.436
254 HG1 THR 38 1HG THR 38 -2.552 12.319 -3.409
255 1HG2 THR 38 1HG2 THR 38 -2.198 14.027 -1.521
256 2HG2 THR 38 2HG2 THR 38 -2.447 13.052 -0.073
257 3HG2 THR 38 3HG2 THR 38 -3.533 12.876 -1.451
258 HA PRO 39 HA PRO 39 1.512 9.559 1.701
259 1HB PRO 39 2HB PRO 39 0.220 10.872 3.983
260 2HB PRO 39 1HB PRO 39 1.933 10.559 3.693
261 1HG PRO 39 2HG PRO 39 0.886 13.043 3.593
262 2HG PRO 39 1HG PRO 39 2.243 12.540 2.568
263 1HD PRO 39 2HD PRO 39 -0.655 12.827 1.873
264 2HD PRO 39 1HD PRO 39 0.786 13.253 0.923
265 H ILE 40 H ILE 40 -0.331 8.383 0.487
266 HA ILE 40 HA ILE 40 -2.877 8.017 1.431
267 HB ILE 40 HB ILE 40 -2.756 5.737 0.472
268 1HG1 ILE 40 2HG1 ILE 40 0.103 6.244 0.795
269 2HG1 ILE 40 1HG1 ILE 40 -0.752 4.717 0.623
270 1HG2 ILE 40 1HG2 ILE 40 -2.240 6.462 -1.838
271 2HG2 ILE 40 2HG2 ILE 40 -1.562 7.952 -1.183
272 3HG2 ILE 40 3HG2 ILE 40 -3.276 7.594 -0.970
273 1HD1 ILE 40 1HD1 ILE 40 -0.112 6.514 -1.698
274 2HD1 ILE 40 2HD1 ILE 40 -0.667 4.840 -1.740
275 3HD1 ILE 40 3HD1 ILE 40 0.948 5.219 -1.143
276 H GLU 41 H GLU 41 -3.602 5.763 2.412
277 HA GLU 41 HA GLU 41 -1.867 5.071 4.681
278 1HB GLU 41 2HB GLU 41 -4.750 5.940 4.887
279 2HB GLU 41 1HB GLU 41 -3.874 5.147 6.189
280 1HG GLU 41 2HG GLU 41 -2.799 7.016 6.763
281 2HG GLU 41 1HG GLU 41 -2.498 7.475 5.087
282 H LEU 42 H LEU 42 -3.232 3.286 6.034
283 HA LEU 42 HA LEU 42 -4.070 1.274 4.048
284 1HB LEU 42 2HB LEU 42 -2.017 1.152 6.000
285 2HB LEU 42 1HB LEU 42 -3.289 0.063 6.522
286 HG LEU 42 HG LEU 42 -1.590 -1.096 5.183
287 1HD1 LEU 42 1HD1 LEU 42 -4.399 -1.111 4.747
288 2HD1 LEU 42 2HD1 LEU 42 -3.248 -2.439 4.607
289 3HD1 LEU 42 3HD1 LEU 42 -3.588 -1.416 3.211
290 1HD2 LEU 42 1HD2 LEU 42 -1.957 -0.438 2.595
291 2HD2 LEU 42 2HD2 LEU 42 -0.654 0.199 3.598
292 3HD2 LEU 42 3HD2 LEU 42 -2.121 1.147 3.353
293 H VAL 43 H VAL 43 -5.915 0.104 4.432
294 HA VAL 43 HA VAL 43 -7.439 0.827 6.847
295 HB VAL 43 HB VAL 43 -8.888 0.109 4.345
296 1HG1 VAL 43 1HG1 VAL 43 -9.483 2.082 6.547
297 2HG1 VAL 43 2HG1 VAL 43 -10.064 0.418 6.492
298 3HG1 VAL 43 3HG1 VAL 43 -10.580 1.573 5.264
299 1HG2 VAL 43 1HG2 VAL 43 -7.297 2.574 4.753
300 2HG2 VAL 43 2HG2 VAL 43 -8.906 2.752 4.055
301 3HG2 VAL 43 3HG2 VAL 43 -7.711 1.724 3.265
302 H HIS 44 H HIS 44 -6.947 -1.612 4.331
303 HA HIS 44 HA HIS 44 -7.558 -3.690 6.299
304 1HB HIS 44 2HB HIS 44 -8.616 -4.350 3.656
305 2HB HIS 44 1HB HIS 44 -9.370 -4.509 5.240
306 HD1 HIS 44 1HD HIS 44 -10.475 -2.236 6.194
307 HD2 HIS 44 2HD HIS 44 -9.563 -2.290 2.145
308 HE1 HIS 44 1HE HIS 44 -11.754 -0.319 5.191
309 HE2 HIS 44 2HE HIS 44 -11.187 -0.367 2.738
310 H LYS 45 H LYS 45 -6.569 -5.692 5.899
311 HA LYS 45 HA LYS 45 -4.244 -5.512 4.143
312 1HB LYS 45 2HB LYS 45 -4.964 -7.105 6.549
313 2HB LYS 45 1HB LYS 45 -3.865 -7.849 5.396
314 1HG LYS 45 2HG LYS 45 -2.162 -6.493 5.946
315 2HG LYS 45 1HG LYS 45 -3.207 -5.084 6.138
316 1HD LYS 45 2HD LYS 45 -2.878 -5.332 8.336
317 2HD LYS 45 1HD LYS 45 -3.971 -6.712 8.222
318 1HE LYS 45 2HE LYS 45 -2.099 -7.582 9.302
319 2HE LYS 45 1HE LYS 45 -1.874 -8.066 7.622
320 1HZ LYS 45 1HZ LYS 45 -0.425 -6.095 7.353
321 2HZ LYS 45 2HZ LYS 45 0.181 -7.223 8.459
322 3HZ LYS 45 3HZ LYS 45 -0.551 -5.804 9.015
323 H GLY 46 H GLY 46 -6.103 -5.712 2.398
324 1HA GLY 46 2HA GLY 46 -5.700 -8.097 1.026
325 2HA GLY 46 1HA GLY 46 -7.203 -8.279 1.917
326 H ARG 47 H ARG 47 -8.448 -8.386 0.048
327 HA ARG 47 HA ARG 47 -8.389 -6.165 -1.819
328 1HB ARG 47 2HB ARG 47 -10.468 -8.314 -1.883
329 2HB ARG 47 1HB ARG 47 -9.709 -7.459 -3.219
330 1HG ARG 47 2HG ARG 47 -7.664 -8.700 -2.904
331 2HG ARG 47 1HG ARG 47 -8.335 -9.496 -1.480
332 1HD ARG 47 2HD ARG 47 -8.686 -11.096 -3.092
333 2HD ARG 47 1HD ARG 47 -10.218 -10.225 -3.130
334 HE ARG 47 HE ARG 47 -9.754 -9.659 -5.285
335 1HH1 ARG 47 1HH1 ARG 47 -6.752 -10.375 -3.671
336 2HH1 ARG 47 2HH1 ARG 47 -5.791 -10.187 -5.099
337 1HH2 ARG 47 1HH2 ARG 47 -8.497 -9.414 -7.172
338 2HH2 ARG 47 2HH2 ARG 47 -6.782 -9.643 -7.089
339 H CYS 48 H CYS 48 -8.962 -4.978 0.411
340 HA CYS 48 HA CYS 48 -10.489 -3.825 1.662
341 1HB CYS 48 2HB CYS 48 -11.270 -3.639 -1.184
342 2HB CYS 48 1HB CYS 48 -12.453 -3.058 -0.014
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 13.606 6.244 8.288
2 2H LYS 1 2HT LYS 1 14.127 7.230 6.984
3 3H LYS 1 3HT LYS 1 14.959 5.773 7.348
4 HA LYS 1 HA LYS 1 13.692 5.275 5.523
5 1HB LYS 1 2HB LYS 1 12.329 4.451 8.090
6 2HB LYS 1 1HB LYS 1 11.911 3.767 6.524
7 1HG LYS 1 2HG LYS 1 14.744 3.719 7.472
8 2HG LYS 1 1HG LYS 1 13.583 2.528 8.063
9 1HD LYS 1 2HD LYS 1 13.114 1.812 5.796
10 2HD LYS 1 1HD LYS 1 14.179 3.064 5.153
11 1HE LYS 1 2HE LYS 1 15.461 1.339 7.131
12 2HE LYS 1 1HE LYS 1 14.897 0.471 5.704
13 1HZ LYS 1 1HZ LYS 1 16.306 1.625 4.332
14 2HZ LYS 1 2HZ LYS 1 17.247 1.532 5.735
15 3HZ LYS 1 3HZ LYS 1 16.423 2.962 5.366
16 HA PRO 2 HA PRO 2 10.685 8.846 5.433
17 1HB PRO 2 2HB PRO 2 11.396 8.511 2.568
18 2HB PRO 2 1HB PRO 2 11.275 9.986 3.533
19 1HG PRO 2 2HG PRO 2 13.654 8.995 2.849
20 2HG PRO 2 1HG PRO 2 13.391 9.719 4.448
21 1HD PRO 2 2HD PRO 2 13.576 6.838 3.673
22 2HD PRO 2 1HD PRO 2 14.177 7.657 5.131
23 H ASP 3 H ASP 3 9.189 8.988 3.118
24 HA ASP 3 HA ASP 3 7.372 6.763 3.478
25 1HB ASP 3 2HB ASP 3 7.179 9.197 1.700
26 2HB ASP 3 1HB ASP 3 5.886 8.035 1.983
27 H CYS 4 H CYS 4 9.732 5.850 2.420
28 HA CYS 4 HA CYS 4 8.800 4.757 -0.090
29 1HB CYS 4 2HB CYS 4 11.616 5.739 -0.046
30 2HB CYS 4 1HB CYS 4 10.547 5.474 -1.419
31 HA PRO 5 HA PRO 5 11.063 1.346 1.663
32 1HB PRO 5 2HB PRO 5 10.203 -0.520 -0.030
33 2HB PRO 5 1HB PRO 5 9.073 0.308 1.046
34 1HG PRO 5 2HG PRO 5 9.449 0.602 -1.872
35 2HG PRO 5 1HG PRO 5 8.011 0.912 -0.886
36 1HD PRO 5 2HD PRO 5 9.973 2.805 -1.828
37 2HD PRO 5 1HD PRO 5 8.510 3.119 -0.878
38 H LEU 6 H LEU 6 12.267 -0.667 0.576
39 HA LEU 6 HA LEU 6 13.903 0.128 -1.699
40 1HB LEU 6 2HB LEU 6 14.906 0.754 0.691
41 2HB LEU 6 1HB LEU 6 15.381 -0.933 0.659
42 HG LEU 6 HG LEU 6 16.434 -0.394 -1.631
43 1HD1 LEU 6 1HD1 LEU 6 17.056 2.299 -0.925
44 2HD1 LEU 6 2HD1 LEU 6 15.305 2.118 -1.036
45 3HD1 LEU 6 3HD1 LEU 6 16.326 1.677 -2.405
46 1HD2 LEU 6 1HD2 LEU 6 17.390 0.182 1.090
47 2HD2 LEU 6 2HD2 LEU 6 18.329 0.912 -0.214
48 3HD2 LEU 6 3HD2 LEU 6 18.088 -0.835 -0.171
49 H ILE 7 H ILE 7 12.187 -1.653 -2.169
50 HA ILE 7 HA ILE 7 11.799 -3.791 -2.844
51 HB ILE 7 HB ILE 7 14.750 -4.096 -2.285
52 1HG1 ILE 7 2HG1 ILE 7 13.754 -2.565 -4.180
53 2HG1 ILE 7 1HG1 ILE 7 15.131 -3.610 -4.513
54 1HG2 ILE 7 1HG2 ILE 7 14.251 -6.293 -2.275
55 2HG2 ILE 7 2HG2 ILE 7 14.181 -6.079 -4.025
56 3HG2 ILE 7 3HG2 ILE 7 12.696 -6.051 -3.072
57 1HD1 ILE 7 1HD1 ILE 7 13.325 -3.593 -6.249
58 2HD1 ILE 7 2HD1 ILE 7 12.293 -4.409 -5.074
59 3HD1 ILE 7 3HD1 ILE 7 13.773 -5.184 -5.637
60 H CYS 8 H CYS 8 10.425 -4.176 -1.077
61 HA CYS 8 HA CYS 8 11.478 -5.139 1.401
62 1HB CYS 8 2HB CYS 8 9.062 -4.038 0.564
63 2HB CYS 8 1HB CYS 8 8.682 -5.655 1.136
64 H THR 9 H THR 9 8.920 -6.740 -0.442
65 HA THR 9 HA THR 9 10.423 -9.116 -0.873
66 HB THR 9 HB THR 9 10.229 -9.377 1.510
67 HG1 THR 9 1HG THR 9 8.651 -11.250 1.474
68 1HG2 THR 9 1HG2 THR 9 7.437 -8.528 1.070
69 2HG2 THR 9 2HG2 THR 9 8.527 -8.202 2.417
70 3HG2 THR 9 3HG2 THR 9 7.718 -9.765 2.295
71 H MET 10 H MET 10 8.732 -11.039 -1.160
72 HA MET 10 HA MET 10 6.625 -9.964 -2.906
73 1HB MET 10 2HB MET 10 7.359 -12.821 -3.124
74 2HB MET 10 1HB MET 10 7.007 -11.651 -4.386
75 1HG MET 10 2HG MET 10 9.221 -12.039 -4.764
76 2HG MET 10 1HG MET 10 9.312 -10.645 -3.688
77 1HE MET 10 1HE MET 10 12.309 -11.963 -2.954
78 2HE MET 10 2HE MET 10 11.486 -12.270 -4.483
79 3HE MET 10 3HE MET 10 12.037 -13.620 -3.490
80 H GLN 11 H GLN 11 6.789 -10.797 0.107
81 HA GLN 11 HA GLN 11 4.950 -12.927 0.438
82 1HB GLN 11 2HB GLN 11 5.933 -10.723 2.238
83 2HB GLN 11 1HB GLN 11 4.672 -11.829 2.764
84 1HG GLN 11 2HG GLN 11 7.399 -12.678 1.824
85 2HG GLN 11 1HG GLN 11 6.942 -12.463 3.513
86 1HE2 GLN 11 1HE2 GLN 11 5.103 -13.773 4.271
87 2HE2 GLN 11 2HE2 GLN 11 4.927 -15.375 3.646
88 H TYR 12 H TYR 12 3.689 -11.870 -1.405
89 HA TYR 12 HA TYR 12 2.179 -9.809 -1.673
90 1HB TYR 12 2HB TYR 12 1.680 -12.600 -2.135
91 2HB TYR 12 1HB TYR 12 0.181 -11.773 -1.731
92 HD1 TYR 12 1HD TYR 12 1.310 -13.019 -4.434
93 HD2 TYR 12 2HD TYR 12 0.870 -9.073 -2.909
94 HE1 TYR 12 1HE TYR 12 1.167 -12.153 -6.730
95 HE2 TYR 12 2HE TYR 12 0.724 -8.195 -5.201
96 HH TYR 12 HH TYR 12 0.129 -9.012 -7.452
97 H ASP 13 H ASP 13 1.798 -8.522 0.053
98 HA ASP 13 HA ASP 13 -0.271 -9.442 1.935
99 1HB ASP 13 2HB ASP 13 2.280 -8.405 2.525
100 2HB ASP 13 1HB ASP 13 1.154 -7.089 2.847
101 HA PRO 14 HA PRO 14 -1.636 -6.138 -1.175
102 1HB PRO 14 2HB PRO 14 -4.147 -7.395 -1.297
103 2HB PRO 14 1HB PRO 14 -2.864 -7.501 -2.504
104 1HG PRO 14 2HG PRO 14 -3.559 -9.384 -0.303
105 2HG PRO 14 1HG PRO 14 -2.959 -9.732 -1.936
106 1HD PRO 14 2HD PRO 14 -1.346 -9.910 0.180
107 2HD PRO 14 1HD PRO 14 -0.753 -9.245 -1.360
108 H VAL 15 H VAL 15 -1.810 -4.470 0.231
109 HA VAL 15 HA VAL 15 -4.090 -4.495 2.075
110 HB VAL 15 HB VAL 15 -2.894 -2.786 3.349
111 1HG1 VAL 15 1HG1 VAL 15 -1.832 -4.339 4.547
112 2HG1 VAL 15 2HG1 VAL 15 -0.727 -4.717 3.225
113 3HG1 VAL 15 3HG1 VAL 15 -2.320 -5.470 3.285
114 1HG2 VAL 15 1HG2 VAL 15 -1.234 -2.725 0.991
115 2HG2 VAL 15 2HG2 VAL 15 -0.273 -2.909 2.459
116 3HG2 VAL 15 3HG2 VAL 15 -1.381 -1.546 2.294
117 H CYS 16 H CYS 16 -5.695 -3.254 1.590
118 HA CYS 16 HA CYS 16 -5.522 -1.404 -0.595
119 1HB CYS 16 2HB CYS 16 -7.556 -2.848 0.728
120 2HB CYS 16 1HB CYS 16 -7.932 -1.148 0.882
121 H GLY 17 H GLY 17 -4.766 0.588 -0.370
122 1HA GLY 17 2HA GLY 17 -4.742 1.769 2.292
123 2HA GLY 17 1HA GLY 17 -3.810 2.321 0.912
124 H SER 18 H SER 18 -5.820 3.475 2.897
125 HA SER 18 HA SER 18 -8.134 4.274 1.684
126 1HB SER 18 2HB SER 18 -8.387 5.551 3.525
127 2HB SER 18 1HB SER 18 -6.832 4.902 4.044
128 HG SER 18 HG SER 18 -7.474 7.419 3.316
129 H ASP 19 H ASP 19 -8.001 4.664 -0.362
130 HA ASP 19 HA ASP 19 -7.644 7.188 -1.382
131 1HB ASP 19 2HB ASP 19 -5.129 5.866 -1.012
132 2HB ASP 19 1HB ASP 19 -5.435 6.008 -2.739
133 H GLY 20 H GLY 20 -7.524 3.751 -1.793
134 1HA GLY 20 2HA GLY 20 -9.205 2.715 -3.186
135 2HA GLY 20 1HA GLY 20 -8.972 4.026 -4.336
136 H ILE 21 H ILE 21 -6.343 2.378 -2.654
137 HA ILE 21 HA ILE 21 -5.696 1.032 -5.196
138 HB ILE 21 HB ILE 21 -3.807 2.719 -3.572
139 1HG1 ILE 21 2HG1 ILE 21 -5.258 3.953 -5.129
140 2HG1 ILE 21 1HG1 ILE 21 -3.575 3.997 -5.649
141 1HG2 ILE 21 1HG2 ILE 21 -3.284 0.745 -5.775
142 2HG2 ILE 21 2HG2 ILE 21 -2.530 0.844 -4.183
143 3HG2 ILE 21 3HG2 ILE 21 -2.168 2.062 -5.407
144 1HD1 ILE 21 1HD1 ILE 21 -4.209 2.007 -7.143
145 2HD1 ILE 21 2HD1 ILE 21 -4.755 3.619 -7.606
146 3HD1 ILE 21 3HD1 ILE 21 -5.874 2.496 -6.832
147 H THR 22 H THR 22 -5.258 -1.029 -4.974
148 HA THR 22 HA THR 22 -4.704 -2.141 -2.331
149 HB THR 22 HB THR 22 -5.118 -3.583 -4.962
150 HG1 THR 22 1HG THR 22 -7.163 -3.298 -4.676
151 1HG2 THR 22 1HG2 THR 22 -5.690 -5.506 -3.589
152 2HG2 THR 22 2HG2 THR 22 -5.315 -4.585 -2.133
153 3HG2 THR 22 3HG2 THR 22 -4.037 -4.972 -3.285
154 H TYR 23 H TYR 23 -2.605 -1.734 -1.859
155 HA TYR 23 HA TYR 23 -0.539 -1.973 -3.833
156 1HB TYR 23 2HB TYR 23 -0.212 -1.601 -0.855
157 2HB TYR 23 1HB TYR 23 0.920 -1.165 -2.127
158 HD1 TYR 23 1HD TYR 23 -2.345 -0.336 -0.629
159 HD2 TYR 23 2HD TYR 23 0.699 0.910 -3.324
160 HE1 TYR 23 1HE TYR 23 -3.421 1.863 -0.807
161 HE2 TYR 23 2HE TYR 23 -0.368 3.125 -3.497
162 HH TYR 23 HH TYR 23 -2.354 4.376 -1.479
163 H GLY 24 H GLY 24 1.177 -3.400 -3.845
164 1HA GLY 24 2HA GLY 24 0.567 -6.094 -3.380
165 2HA GLY 24 1HA GLY 24 2.175 -5.465 -3.712
166 H ASN 25 H ASN 25 1.493 -3.737 -1.176
167 HA ASN 25 HA ASN 25 1.254 -5.135 1.093
168 1HB ASN 25 2HB ASN 25 3.703 -5.560 1.735
169 2HB ASN 25 1HB ASN 25 2.942 -6.708 0.640
170 1HD2 ASN 25 1HD2 ASN 25 4.307 -7.352 -0.857
171 2HD2 ASN 25 2HD2 ASN 25 5.470 -6.363 -1.667
172 H ALA 26 H ALA 26 1.974 -4.012 2.981
173 HA ALA 26 HA ALA 26 1.755 -1.294 2.895
174 1HB ALA 26 1HB ALA 26 3.131 -1.431 5.128
175 2HB ALA 26 2HB ALA 26 2.941 -3.168 4.888
176 3HB ALA 26 3HB ALA 26 1.518 -2.134 5.019
177 H CYS 27 H CYS 27 4.514 -3.246 2.199
178 HA CYS 27 HA CYS 27 6.449 -1.123 2.427
179 1HB CYS 27 2HB CYS 27 6.547 -3.881 1.206
180 2HB CYS 27 1HB CYS 27 7.889 -2.755 1.116
181 H MET 28 H MET 28 4.768 -2.784 -0.186
182 HA MET 28 HA MET 28 5.914 -1.340 -2.304
183 1HB MET 28 2HB MET 28 3.316 -2.846 -1.989
184 2HB MET 28 1HB MET 28 3.827 -2.135 -3.519
185 1HG MET 28 2HG MET 28 5.975 -3.680 -2.421
186 2HG MET 28 1HG MET 28 4.508 -4.655 -2.456
187 1HE MET 28 1HE MET 28 2.942 -3.481 -4.448
188 2HE MET 28 2HE MET 28 3.195 -4.681 -5.715
189 3HE MET 28 3HE MET 28 3.610 -2.991 -6.006
190 H LEU 29 H LEU 29 3.578 -0.633 0.077
191 HA LEU 29 HA LEU 29 2.191 1.466 -1.205
192 1HB LEU 29 2HB LEU 29 2.201 0.165 1.317
193 2HB LEU 29 1HB LEU 29 2.371 1.886 1.605
194 HG LEU 29 HG LEU 29 0.143 0.482 0.166
195 1HD1 LEU 29 1HD1 LEU 29 -1.195 1.148 1.933
196 2HD1 LEU 29 2HD1 LEU 29 -0.061 2.396 2.450
197 3HD1 LEU 29 3HD1 LEU 29 0.313 0.696 2.728
198 1HD2 LEU 29 1HD2 LEU 29 0.704 3.432 0.405
199 2HD2 LEU 29 2HD2 LEU 29 -0.814 2.738 -0.154
200 3HD2 LEU 29 3HD2 LEU 29 0.663 2.487 -1.081
201 H LEU 30 H LEU 30 4.911 1.355 1.065
202 HA LEU 30 HA LEU 30 5.404 4.039 1.369
203 1HB LEU 30 2HB LEU 30 7.330 1.730 1.136
204 2HB LEU 30 1HB LEU 30 7.862 3.359 1.507
205 HG LEU 30 HG LEU 30 5.714 2.496 3.255
206 1HD1 LEU 30 1HD1 LEU 30 7.929 1.078 4.279
207 2HD1 LEU 30 2HD1 LEU 30 7.678 0.532 2.622
208 3HD1 LEU 30 3HD1 LEU 30 6.358 0.442 3.788
209 1HD2 LEU 30 1HD2 LEU 30 8.387 3.774 3.435
210 2HD2 LEU 30 2HD2 LEU 30 7.713 3.042 4.891
211 3HD2 LEU 30 3HD2 LEU 30 6.827 4.316 4.054
212 H GLY 31 H GLY 31 6.190 1.904 -1.304
213 1HA GLY 31 2HA GLY 31 7.750 3.770 -2.785
214 2HA GLY 31 1HA GLY 31 6.907 2.372 -3.455
215 H ALA 32 H ALA 32 4.348 3.094 -2.487
216 HA ALA 32 HA ALA 32 3.464 4.779 -4.597
217 1HB ALA 32 1HB ALA 32 1.349 4.151 -3.983
218 2HB ALA 32 2HB ALA 32 1.736 4.141 -2.263
219 3HB ALA 32 3HB ALA 32 2.282 2.822 -3.296
220 H SER 33 H SER 33 3.081 5.125 -1.071
221 HA SER 33 HA SER 33 2.279 7.748 -0.980
222 1HB SER 33 2HB SER 33 2.346 6.423 1.037
223 2HB SER 33 1HB SER 33 4.098 6.263 0.929
224 HG SER 33 HG SER 33 3.448 7.881 2.424
225 H CYS 34 H CYS 34 5.511 6.460 -1.379
226 HA CYS 34 HA CYS 34 7.041 8.741 -1.021
227 1HB CYS 34 2HB CYS 34 7.867 6.370 -1.457
228 2HB CYS 34 1HB CYS 34 7.599 6.696 -3.163
229 H ARG 35 H ARG 35 5.516 7.553 -3.996
230 HA ARG 35 HA ARG 35 5.576 10.299 -5.029
231 1HB ARG 35 2HB ARG 35 6.624 7.928 -6.573
232 2HB ARG 35 1HB ARG 35 6.455 9.563 -7.195
233 1HG ARG 35 2HG ARG 35 8.391 10.204 -6.308
234 2HG ARG 35 1HG ARG 35 8.011 9.471 -4.748
235 1HD ARG 35 2HD ARG 35 9.779 8.164 -5.336
236 2HD ARG 35 1HD ARG 35 8.486 7.243 -6.104
237 HE ARG 35 HE ARG 35 9.564 9.208 -7.859
238 1HH1 ARG 35 1HH1 ARG 35 10.160 6.056 -6.505
239 2HH1 ARG 35 2HH1 ARG 35 11.125 5.521 -7.840
240 1HH2 ARG 35 1HH2 ARG 35 10.830 8.515 -9.623
241 2HH2 ARG 35 2HH2 ARG 35 11.504 6.918 -9.615
242 H SER 36 H SER 36 3.293 9.235 -4.140
243 HA SER 36 HA SER 36 1.869 8.129 -6.445
244 1HB SER 36 2HB SER 36 1.589 7.105 -4.159
245 2HB SER 36 1HB SER 36 0.791 8.595 -3.658
246 HG SER 36 HG SER 36 -0.937 7.691 -4.429
247 H ASP 37 H ASP 37 0.889 10.432 -3.939
248 HA ASP 37 HA ASP 37 0.645 12.693 -5.549
249 1HB ASP 37 2HB ASP 37 -1.215 10.912 -6.383
250 2HB ASP 37 1HB ASP 37 -2.127 11.738 -5.123
251 H THR 38 H THR 38 -0.704 10.822 -2.907
252 HA THR 38 HA THR 38 -0.391 13.077 -1.121
253 HB THR 38 HB THR 38 -2.865 12.717 -2.288
254 HG1 THR 38 1HG THR 38 -2.536 14.585 -1.296
255 1HG2 THR 38 1HG2 THR 38 -3.200 11.722 0.519
256 2HG2 THR 38 2HG2 THR 38 -3.145 10.637 -0.871
257 3HG2 THR 38 3HG2 THR 38 -4.409 11.862 -0.756
258 HA PRO 39 HA PRO 39 0.723 10.031 1.844
259 1HB PRO 39 2HB PRO 39 -0.679 10.846 4.082
260 2HB PRO 39 1HB PRO 39 0.852 11.545 3.545
261 1HG PRO 39 2HG PRO 39 -1.937 12.536 3.124
262 2HG PRO 39 1HG PRO 39 -0.464 13.452 3.495
263 1HD PRO 39 2HD PRO 39 -1.477 13.363 1.012
264 2HD PRO 39 1HD PRO 39 0.276 13.391 1.299
265 H ILE 40 H ILE 40 -0.398 8.297 0.759
266 HA ILE 40 HA ILE 40 -3.111 7.683 1.183
267 HB ILE 40 HB ILE 40 -2.490 5.408 0.409
268 1HG1 ILE 40 2HG1 ILE 40 0.213 6.497 0.937
269 2HG1 ILE 40 1HG1 ILE 40 -0.380 4.847 1.074
270 1HG2 ILE 40 1HG2 ILE 40 -1.761 6.116 -1.845
271 2HG2 ILE 40 2HG2 ILE 40 -1.431 7.723 -1.200
272 3HG2 ILE 40 3HG2 ILE 40 -3.080 7.096 -1.205
273 1HD1 ILE 40 1HD1 ILE 40 0.529 6.284 -1.399
274 2HD1 ILE 40 2HD1 ILE 40 -0.333 4.745 -1.438
275 3HD1 ILE 40 3HD1 ILE 40 1.235 4.860 -0.638
276 H GLU 41 H GLU 41 -4.113 6.233 2.570
277 HA GLU 41 HA GLU 41 -2.521 5.498 4.944
278 1HB GLU 41 2HB GLU 41 -5.510 5.909 4.857
279 2HB GLU 41 1HB GLU 41 -4.496 5.726 6.283
280 1HG GLU 41 2HG GLU 41 -3.581 7.928 4.690
281 2HG GLU 41 1HG GLU 41 -5.300 8.094 5.044
282 H LEU 42 H LEU 42 -3.958 3.699 6.206
283 HA LEU 42 HA LEU 42 -4.370 1.537 4.243
284 1HB LEU 42 2HB LEU 42 -2.647 1.650 6.493
285 2HB LEU 42 1HB LEU 42 -3.919 0.504 6.873
286 HG LEU 42 HG LEU 42 -1.832 -0.462 5.819
287 1HD1 LEU 42 1HD1 LEU 42 -4.488 -1.167 5.550
288 2HD1 LEU 42 2HD1 LEU 42 -3.088 -2.181 5.195
289 3HD1 LEU 42 3HD1 LEU 42 -3.853 -1.250 3.906
290 1HD2 LEU 42 1HD2 LEU 42 -2.252 1.577 3.974
291 2HD2 LEU 42 2HD2 LEU 42 -2.668 0.089 3.122
292 3HD2 LEU 42 3HD2 LEU 42 -1.081 0.264 3.869
293 H VAL 43 H VAL 43 -6.229 0.380 4.321
294 HA VAL 43 HA VAL 43 -8.123 1.042 6.480
295 HB VAL 43 HB VAL 43 -9.016 0.311 3.710
296 1HG1 VAL 43 1HG1 VAL 43 -10.549 0.296 5.739
297 2HG1 VAL 43 2HG1 VAL 43 -11.082 1.242 4.349
298 3HG1 VAL 43 3HG1 VAL 43 -10.377 2.051 5.748
299 1HG2 VAL 43 1HG2 VAL 43 -7.998 2.184 2.986
300 2HG2 VAL 43 2HG2 VAL 43 -7.813 2.836 4.615
301 3HG2 VAL 43 3HG2 VAL 43 -9.352 3.000 3.768
302 H HIS 44 H HIS 44 -7.352 -1.368 3.992
303 HA HIS 44 HA HIS 44 -8.130 -3.467 5.895
304 1HB HIS 44 2HB HIS 44 -8.677 -4.181 3.117
305 2HB HIS 44 1HB HIS 44 -9.689 -4.366 4.545
306 HD1 HIS 44 1HD HIS 44 -10.998 -2.091 5.274
307 HD2 HIS 44 2HD HIS 44 -9.514 -2.249 1.396
308 HE1 HIS 44 1HE HIS 44 -12.221 -0.292 4.011
309 HE2 HIS 44 2HE HIS 44 -11.300 -0.399 1.669
310 H LYS 45 H LYS 45 -6.916 -5.335 5.828
311 HA LYS 45 HA LYS 45 -4.402 -5.109 4.363
312 1HB LYS 45 2HB LYS 45 -3.950 -7.249 5.853
313 2HB LYS 45 1HB LYS 45 -3.830 -5.626 6.518
314 1HG LYS 45 2HG LYS 45 -5.870 -5.809 7.640
315 2HG LYS 45 1HG LYS 45 -6.375 -7.200 6.678
316 1HD LYS 45 2HD LYS 45 -4.414 -8.440 7.708
317 2HD LYS 45 1HD LYS 45 -4.279 -7.089 8.836
318 1HE LYS 45 2HE LYS 45 -5.580 -8.794 9.886
319 2HE LYS 45 1HE LYS 45 -6.665 -7.472 9.460
320 1HZ LYS 45 1HZ LYS 45 -6.573 -9.256 7.309
321 2HZ LYS 45 2HZ LYS 45 -7.885 -8.897 8.314
322 3HZ LYS 45 3HZ LYS 45 -6.836 -10.164 8.713
323 H GLY 46 H GLY 46 -6.125 -5.600 2.495
324 1HA GLY 46 2HA GLY 46 -5.384 -8.136 1.464
325 2HA GLY 46 1HA GLY 46 -7.052 -8.175 2.021
326 H ARG 47 H ARG 47 -7.854 -8.474 -0.073
327 HA ARG 47 HA ARG 47 -7.313 -6.425 -2.067
328 1HB ARG 47 2HB ARG 47 -9.321 -8.614 -2.443
329 2HB ARG 47 1HB ARG 47 -8.274 -7.849 -3.631
330 1HG ARG 47 2HG ARG 47 -6.375 -9.046 -2.848
331 2HG ARG 47 1HG ARG 47 -7.259 -9.643 -1.442
332 1HD ARG 47 2HD ARG 47 -8.293 -10.251 -4.171
333 2HD ARG 47 1HD ARG 47 -6.906 -11.155 -3.562
334 HE ARG 47 HE ARG 47 -8.957 -11.134 -1.627
335 1HH1 ARG 47 1HH1 ARG 47 -8.158 -12.521 -4.722
336 2HH1 ARG 47 2HH1 ARG 47 -9.110 -13.947 -4.474
337 1HH2 ARG 47 1HH2 ARG 47 -10.213 -13.006 -1.291
338 2HH2 ARG 47 2HH2 ARG 47 -10.281 -14.220 -2.524
339 H CYS 48 H CYS 48 -8.390 -5.052 -0.164
340 HA CYS 48 HA CYS 48 -10.172 -3.835 0.604
341 1HB CYS 48 2HB CYS 48 -10.124 -3.776 -2.318
342 2HB CYS 48 1HB CYS 48 -11.696 -3.366 -1.644
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 8.490 4.586 9.741
2 2H LYS 1 2HT LYS 1 9.924 4.366 8.825
3 3H LYS 1 3HT LYS 1 8.459 4.797 8.042
4 HA LYS 1 HA LYS 1 8.627 6.769 9.737
5 1HB LYS 1 2HB LYS 1 10.744 5.875 10.643
6 2HB LYS 1 1HB LYS 1 11.475 6.018 9.050
7 1HG LYS 1 2HG LYS 1 12.152 8.037 9.667
8 2HG LYS 1 1HG LYS 1 10.465 8.545 9.552
9 1HD LYS 1 2HD LYS 1 11.134 7.191 12.059
10 2HD LYS 1 1HD LYS 1 12.012 8.700 11.803
11 1HE LYS 1 2HE LYS 1 9.151 8.823 11.165
12 2HE LYS 1 1HE LYS 1 9.511 8.512 12.863
13 1HZ LYS 1 1HZ LYS 1 11.075 10.620 11.638
14 2HZ LYS 1 2HZ LYS 1 10.322 10.571 13.151
15 3HZ LYS 1 3HZ LYS 1 9.419 10.950 11.772
16 HA PRO 2 HA PRO 2 10.226 8.141 5.431
17 1HB PRO 2 2HB PRO 2 10.895 6.279 3.612
18 2HB PRO 2 1HB PRO 2 12.035 6.839 4.842
19 1HG PRO 2 2HG PRO 2 10.420 4.330 4.753
20 2HG PRO 2 1HG PRO 2 12.088 4.572 5.299
21 1HD PRO 2 2HD PRO 2 9.902 4.376 6.967
22 2HD PRO 2 1HD PRO 2 11.430 5.162 7.401
23 H ASP 3 H ASP 3 9.512 7.677 2.957
24 HA ASP 3 HA ASP 3 6.962 6.332 2.740
25 1HB ASP 3 2HB ASP 3 7.204 9.327 2.795
26 2HB ASP 3 1HB ASP 3 5.930 8.548 1.861
27 H CYS 4 H CYS 4 9.037 5.546 1.385
28 HA CYS 4 HA CYS 4 8.371 6.087 -1.342
29 1HB CYS 4 2HB CYS 4 11.006 7.024 -0.227
30 2HB CYS 4 1HB CYS 4 10.771 6.701 -1.940
31 HA PRO 5 HA PRO 5 9.606 1.988 -2.183
32 1HB PRO 5 2HB PRO 5 11.544 2.423 -4.189
33 2HB PRO 5 1HB PRO 5 9.822 2.116 -4.427
34 1HG PRO 5 2HG PRO 5 11.304 4.691 -4.416
35 2HG PRO 5 1HG PRO 5 9.864 4.222 -5.339
36 1HD PRO 5 2HD PRO 5 9.704 5.870 -3.230
37 2HD PRO 5 1HD PRO 5 8.434 4.676 -3.569
38 H LEU 6 H LEU 6 10.987 0.580 -1.300
39 HA LEU 6 HA LEU 6 13.794 1.110 -1.052
40 1HB LEU 6 2HB LEU 6 12.542 2.345 0.868
41 2HB LEU 6 1HB LEU 6 12.356 0.742 1.553
42 HG LEU 6 HG LEU 6 15.095 1.086 0.838
43 1HD1 LEU 6 1HD1 LEU 6 15.159 2.972 2.822
44 2HD1 LEU 6 2HD1 LEU 6 13.798 3.502 1.833
45 3HD1 LEU 6 3HD1 LEU 6 15.389 3.284 1.102
46 1HD2 LEU 6 1HD2 LEU 6 13.521 0.723 3.361
47 2HD2 LEU 6 2HD2 LEU 6 15.272 0.940 3.402
48 3HD2 LEU 6 3HD2 LEU 6 14.571 -0.423 2.529
49 H ILE 7 H ILE 7 12.461 -0.881 -2.348
50 HA ILE 7 HA ILE 7 11.935 -3.150 -2.372
51 HB ILE 7 HB ILE 7 14.818 -3.080 -1.491
52 1HG1 ILE 7 2HG1 ILE 7 14.548 -3.646 -4.242
53 2HG1 ILE 7 1HG1 ILE 7 13.485 -2.280 -3.916
54 1HG2 ILE 7 1HG2 ILE 7 14.705 -5.298 -1.452
55 2HG2 ILE 7 2HG2 ILE 7 14.356 -5.259 -3.181
56 3HG2 ILE 7 3HG2 ILE 7 13.033 -5.272 -2.014
57 1HD1 ILE 7 1HD1 ILE 7 15.866 -1.765 -4.610
58 2HD1 ILE 7 2HD1 ILE 7 16.340 -2.326 -3.007
59 3HD1 ILE 7 3HD1 ILE 7 15.258 -0.944 -3.174
60 H CYS 8 H CYS 8 10.552 -4.025 -0.946
61 HA CYS 8 HA CYS 8 11.515 -4.545 1.766
62 1HB CYS 8 2HB CYS 8 9.099 -3.509 0.860
63 2HB CYS 8 1HB CYS 8 8.739 -5.114 1.479
64 H THR 9 H THR 9 9.023 -6.248 -0.078
65 HA THR 9 HA THR 9 10.613 -8.614 -0.330
66 HB THR 9 HB THR 9 10.187 -8.923 1.967
67 HG1 THR 9 1HG THR 9 8.617 -10.683 1.931
68 1HG2 THR 9 1HG2 THR 9 8.190 -7.233 1.879
69 2HG2 THR 9 2HG2 THR 9 8.290 -8.470 3.134
70 3HG2 THR 9 3HG2 THR 9 7.240 -8.712 1.736
71 H MET 10 H MET 10 8.964 -10.565 -0.773
72 HA MET 10 HA MET 10 7.037 -9.535 -2.746
73 1HB MET 10 2HB MET 10 8.144 -12.297 -2.957
74 2HB MET 10 1HB MET 10 7.612 -11.205 -4.227
75 1HG MET 10 2HG MET 10 9.662 -9.802 -3.617
76 2HG MET 10 1HG MET 10 10.215 -11.232 -2.747
77 1HE MET 10 1HE MET 10 12.425 -12.133 -4.355
78 2HE MET 10 2HE MET 10 11.654 -13.480 -5.192
79 3HE MET 10 3HE MET 10 11.188 -13.089 -3.537
80 H GLN 11 H GLN 11 6.965 -10.600 0.224
81 HA GLN 11 HA GLN 11 5.256 -12.858 0.185
82 1HB GLN 11 2HB GLN 11 4.760 -12.221 2.548
83 2HB GLN 11 1HB GLN 11 6.477 -12.347 2.195
84 1HG GLN 11 2HG GLN 11 6.806 -10.279 2.889
85 2HG GLN 11 1HG GLN 11 5.634 -9.670 1.722
86 1HE2 GLN 11 1HE2 GLN 11 6.377 -9.840 4.917
87 2HE2 GLN 11 2HE2 GLN 11 4.814 -9.556 5.594
88 H TYR 12 H TYR 12 4.088 -11.711 -1.676
89 HA TYR 12 HA TYR 12 2.440 -9.770 -1.947
90 1HB TYR 12 2HB TYR 12 2.221 -12.508 -2.654
91 2HB TYR 12 1HB TYR 12 0.629 -11.952 -2.153
92 HD1 TYR 12 1HD TYR 12 -0.736 -11.069 -3.781
93 HD2 TYR 12 2HD TYR 12 3.481 -10.766 -4.271
94 HE1 TYR 12 1HE TYR 12 -1.073 -10.020 -5.979
95 HE2 TYR 12 2HE TYR 12 3.154 -9.716 -6.471
96 HH TYR 12 HH TYR 12 0.431 -8.357 -7.477
97 H ASP 13 H ASP 13 1.870 -8.605 -0.168
98 HA ASP 13 HA ASP 13 -0.276 -9.745 1.498
99 1HB ASP 13 2HB ASP 13 2.197 -8.593 2.322
100 2HB ASP 13 1HB ASP 13 0.917 -7.467 2.762
101 HA PRO 14 HA PRO 14 -1.671 -6.294 -1.369
102 1HB PRO 14 2HB PRO 14 -4.196 -7.513 -1.525
103 2HB PRO 14 1HB PRO 14 -2.917 -7.604 -2.738
104 1HG PRO 14 2HG PRO 14 -3.629 -9.536 -0.581
105 2HG PRO 14 1HG PRO 14 -3.063 -9.852 -2.232
106 1HD PRO 14 2HD PRO 14 -1.414 -10.120 -0.151
107 2HD PRO 14 1HD PRO 14 -0.836 -9.419 -1.680
108 H VAL 15 H VAL 15 -1.935 -4.613 -0.062
109 HA VAL 15 HA VAL 15 -4.129 -4.696 1.887
110 HB VAL 15 HB VAL 15 -2.840 -2.962 3.121
111 1HG1 VAL 15 1HG1 VAL 15 -0.980 -4.614 3.840
112 2HG1 VAL 15 2HG1 VAL 15 -1.767 -5.720 2.715
113 3HG1 VAL 15 3HG1 VAL 15 -2.668 -5.064 4.082
114 1HG2 VAL 15 1HG2 VAL 15 -0.988 -2.031 2.313
115 2HG2 VAL 15 2HG2 VAL 15 -1.317 -2.871 0.797
116 3HG2 VAL 15 3HG2 VAL 15 -0.264 -3.610 2.002
117 H CYS 16 H CYS 16 -5.702 -3.365 1.568
118 HA CYS 16 HA CYS 16 -5.621 -1.469 -0.583
119 1HB CYS 16 2HB CYS 16 -7.602 -2.888 0.847
120 2HB CYS 16 1HB CYS 16 -7.916 -1.182 1.065
121 H GLY 17 H GLY 17 -4.826 0.517 -0.367
122 1HA GLY 17 2HA GLY 17 -4.660 1.638 2.329
123 2HA GLY 17 1HA GLY 17 -3.690 2.136 0.956
124 H SER 18 H SER 18 -5.497 3.484 2.934
125 HA SER 18 HA SER 18 -7.799 4.489 1.843
126 1HB SER 18 2HB SER 18 -7.068 4.955 4.152
127 2HB SER 18 1HB SER 18 -5.779 5.988 3.532
128 HG SER 18 HG SER 18 -8.330 6.611 4.015
129 H ASP 19 H ASP 19 -7.699 4.801 -0.249
130 HA ASP 19 HA ASP 19 -7.172 7.274 -1.327
131 1HB ASP 19 2HB ASP 19 -4.742 6.149 -0.862
132 2HB ASP 19 1HB ASP 19 -5.061 5.548 -2.487
133 H GLY 20 H GLY 20 -7.357 3.834 -1.679
134 1HA GLY 20 2HA GLY 20 -9.155 2.903 -2.984
135 2HA GLY 20 1HA GLY 20 -8.895 4.187 -4.158
136 H ILE 21 H ILE 21 -6.277 2.402 -2.608
137 HA ILE 21 HA ILE 21 -5.880 0.967 -5.154
138 HB ILE 21 HB ILE 21 -3.780 2.562 -3.703
139 1HG1 ILE 21 2HG1 ILE 21 -5.315 3.815 -5.211
140 2HG1 ILE 21 1HG1 ILE 21 -3.641 3.838 -5.756
141 1HG2 ILE 21 1HG2 ILE 21 -2.433 1.751 -5.804
142 2HG2 ILE 21 2HG2 ILE 21 -3.575 0.407 -5.754
143 3HG2 ILE 21 3HG2 ILE 21 -2.544 0.740 -4.363
144 1HD1 ILE 21 1HD1 ILE 21 -5.967 2.345 -6.898
145 2HD1 ILE 21 2HD1 ILE 21 -4.306 1.864 -7.244
146 3HD1 ILE 21 3HD1 ILE 21 -4.870 3.474 -7.692
147 H THR 22 H THR 22 -5.249 -1.075 -5.010
148 HA THR 22 HA THR 22 -4.743 -2.189 -2.352
149 HB THR 22 HB THR 22 -5.267 -3.592 -4.985
150 HG1 THR 22 1HG THR 22 -7.275 -4.083 -3.662
151 1HG2 THR 22 1HG2 THR 22 -4.010 -4.831 -3.092
152 2HG2 THR 22 2HG2 THR 22 -5.382 -5.607 -3.886
153 3HG2 THR 22 3HG2 THR 22 -5.589 -4.854 -2.305
154 H TYR 23 H TYR 23 -2.650 -1.787 -1.911
155 HA TYR 23 HA TYR 23 -0.581 -2.035 -3.870
156 1HB TYR 23 2HB TYR 23 -0.313 -1.688 -0.881
157 2HB TYR 23 1HB TYR 23 0.873 -1.280 -2.114
158 HD1 TYR 23 1HD TYR 23 0.632 0.737 -3.460
159 HD2 TYR 23 2HD TYR 23 -2.337 -0.332 -0.605
160 HE1 TYR 23 1HE TYR 23 -0.392 2.963 -3.695
161 HE2 TYR 23 2HE TYR 23 -3.363 1.893 -0.830
162 HH TYR 23 HH TYR 23 -1.936 4.366 -2.936
163 H GLY 24 H GLY 24 1.218 -3.425 -3.770
164 1HA GLY 24 2HA GLY 24 0.552 -6.144 -3.387
165 2HA GLY 24 1HA GLY 24 2.165 -5.525 -3.710
166 H ASN 25 H ASN 25 1.438 -3.829 -1.155
167 HA ASN 25 HA ASN 25 1.216 -5.302 1.081
168 1HB ASN 25 2HB ASN 25 3.639 -5.634 1.781
169 2HB ASN 25 1HB ASN 25 3.012 -6.757 0.579
170 1HD2 ASN 25 1HD2 ASN 25 4.400 -7.181 -0.962
171 2HD2 ASN 25 2HD2 ASN 25 5.575 -6.093 -1.610
172 H ALA 26 H ALA 26 1.774 -4.173 2.993
173 HA ALA 26 HA ALA 26 1.415 -1.462 2.923
174 1HB ALA 26 1HB ALA 26 2.211 -1.406 5.234
175 2HB ALA 26 2HB ALA 26 2.910 -3.012 5.036
176 3HB ALA 26 3HB ALA 26 1.162 -2.795 4.952
177 H CYS 27 H CYS 27 4.311 -3.271 2.428
178 HA CYS 27 HA CYS 27 6.118 -1.082 2.819
179 1HB CYS 27 2HB CYS 27 6.386 -3.849 1.699
180 2HB CYS 27 1HB CYS 27 7.641 -2.661 1.416
181 H MET 28 H MET 28 4.629 -2.681 0.063
182 HA MET 28 HA MET 28 5.903 -1.141 -1.923
183 1HB MET 28 2HB MET 28 3.400 -2.812 -1.826
184 2HB MET 28 1HB MET 28 3.862 -1.941 -3.284
185 1HG MET 28 2HG MET 28 6.172 -3.283 -2.464
186 2HG MET 28 1HG MET 28 4.858 -4.434 -2.240
187 1HE MET 28 1HE MET 28 7.540 -3.830 -4.582
188 2HE MET 28 2HE MET 28 6.849 -2.209 -4.652
189 3HE MET 28 3HE MET 28 6.843 -3.231 -6.089
190 H LEU 29 H LEU 29 3.450 -0.516 0.341
191 HA LEU 29 HA LEU 29 2.040 1.493 -1.036
192 1HB LEU 29 2HB LEU 29 1.874 0.174 1.431
193 2HB LEU 29 1HB LEU 29 2.042 1.884 1.800
194 HG LEU 29 HG LEU 29 -0.091 0.526 0.208
195 1HD1 LEU 29 1HD1 LEU 29 -0.095 0.905 2.775
196 2HD1 LEU 29 2HD1 LEU 29 -1.540 1.287 1.837
197 3HD1 LEU 29 3HD1 LEU 29 -0.450 2.577 2.344
198 1HD2 LEU 29 1HD2 LEU 29 0.676 3.431 0.256
199 2HD2 LEU 29 2HD2 LEU 29 -0.933 2.879 -0.198
200 3HD2 LEU 29 3HD2 LEU 29 0.468 2.384 -1.142
201 H LEU 30 H LEU 30 4.452 1.710 1.594
202 HA LEU 30 HA LEU 30 4.682 4.466 1.604
203 1HB LEU 30 2HB LEU 30 6.924 4.203 2.505
204 2HB LEU 30 1HB LEU 30 5.834 3.038 3.232
205 HG LEU 30 HG LEU 30 7.082 1.834 0.955
206 1HD1 LEU 30 1HD1 LEU 30 9.212 2.356 2.902
207 2HD1 LEU 30 2HD1 LEU 30 8.761 3.744 1.912
208 3HD1 LEU 30 3HD1 LEU 30 9.281 2.242 1.144
209 1HD2 LEU 30 1HD2 LEU 30 6.075 0.765 2.980
210 2HD2 LEU 30 2HD2 LEU 30 7.497 1.284 3.885
211 3HD2 LEU 30 3HD2 LEU 30 7.671 0.156 2.540
212 H GLY 31 H GLY 31 6.015 2.098 -0.603
213 1HA GLY 31 2HA GLY 31 7.650 3.955 -2.057
214 2HA GLY 31 1HA GLY 31 7.165 2.350 -2.598
215 H ALA 32 H ALA 32 4.339 2.978 -2.101
216 HA ALA 32 HA ALA 32 3.699 4.056 -4.676
217 1HB ALA 32 1HB ALA 32 2.504 2.196 -3.278
218 2HB ALA 32 2HB ALA 32 1.568 3.273 -4.312
219 3HB ALA 32 3HB ALA 32 1.642 3.565 -2.575
220 H SER 33 H SER 33 2.789 4.996 -1.350
221 HA SER 33 HA SER 33 1.522 7.361 -1.797
222 1HB SER 33 2HB SER 33 2.197 6.205 0.441
223 2HB SER 33 1HB SER 33 3.637 7.217 0.343
224 HG SER 33 HG SER 33 1.951 8.204 1.535
225 H CYS 34 H CYS 34 4.941 6.683 -1.917
226 HA CYS 34 HA CYS 34 5.896 9.326 -2.215
227 1HB CYS 34 2HB CYS 34 7.233 7.282 -1.656
228 2HB CYS 34 1HB CYS 34 7.133 6.815 -3.341
229 H ARG 35 H ARG 35 5.206 6.822 -4.631
230 HA ARG 35 HA ARG 35 5.737 8.574 -6.838
231 1HB ARG 35 2HB ARG 35 4.386 5.871 -6.805
232 2HB ARG 35 1HB ARG 35 4.994 6.703 -8.230
233 1HG ARG 35 2HG ARG 35 6.555 5.493 -5.971
234 2HG ARG 35 1HG ARG 35 6.618 5.101 -7.690
235 1HD ARG 35 2HD ARG 35 7.702 7.511 -6.269
236 2HD ARG 35 1HD ARG 35 8.556 6.360 -7.296
237 HE ARG 35 HE ARG 35 6.496 7.810 -8.673
238 1HH1 ARG 35 1HH1 ARG 35 9.820 7.880 -7.632
239 2HH1 ARG 35 2HH1 ARG 35 10.314 8.995 -8.862
240 1HH2 ARG 35 1HH2 ARG 35 7.140 9.279 -10.294
241 2HH2 ARG 35 2HH2 ARG 35 8.792 9.790 -10.371
242 H SER 36 H SER 36 3.066 8.215 -4.810
243 HA SER 36 HA SER 36 1.057 8.764 -6.803
244 1HB SER 36 2HB SER 36 0.442 7.410 -4.895
245 2HB SER 36 1HB SER 36 0.929 8.685 -3.782
246 HG SER 36 HG SER 36 -1.436 8.371 -4.578
247 H ASP 37 H ASP 37 0.944 10.539 -3.821
248 HA ASP 37 HA ASP 37 2.068 12.968 -4.593
249 1HB ASP 37 2HB ASP 37 -0.583 12.436 -5.717
250 2HB ASP 37 1HB ASP 37 -0.510 13.936 -4.799
251 H THR 38 H THR 38 -0.442 11.275 -2.850
252 HA THR 38 HA THR 38 -0.123 13.164 -0.611
253 HB THR 38 HB THR 38 -2.468 11.656 -0.213
254 HG1 THR 38 1HG THR 38 -2.378 12.749 -2.825
255 1HG2 THR 38 1HG2 THR 38 -3.178 13.658 0.371
256 2HG2 THR 38 2HG2 THR 38 -3.137 14.180 -1.313
257 3HG2 THR 38 3HG2 THR 38 -1.709 14.370 -0.296
258 HA PRO 39 HA PRO 39 1.178 9.823 1.943
259 1HB PRO 39 2HB PRO 39 0.185 10.483 4.351
260 2HB PRO 39 1HB PRO 39 1.442 11.449 3.567
261 1HG PRO 39 2HG PRO 39 -1.505 11.943 3.724
262 2HG PRO 39 1HG PRO 39 -0.166 13.091 3.905
263 1HD PRO 39 2HD PRO 39 -1.619 12.785 1.599
264 2HD PRO 39 1HD PRO 39 0.056 13.368 1.642
265 H ILE 40 H ILE 40 -0.347 8.371 0.653
266 HA ILE 40 HA ILE 40 -2.909 7.711 1.418
267 HB ILE 40 HB ILE 40 -2.406 5.431 0.496
268 1HG1 ILE 40 2HG1 ILE 40 0.340 6.637 0.394
269 2HG1 ILE 40 1HG1 ILE 40 -0.145 5.036 0.947
270 1HG2 ILE 40 1HG2 ILE 40 -1.350 7.352 -1.485
271 2HG2 ILE 40 2HG2 ILE 40 -2.917 7.724 -0.765
272 3HG2 ILE 40 3HG2 ILE 40 -2.677 6.199 -1.619
273 1HD1 ILE 40 1HD1 ILE 40 -0.760 4.555 -1.463
274 2HD1 ILE 40 2HD1 ILE 40 0.958 4.695 -1.090
275 3HD1 ILE 40 3HD1 ILE 40 0.112 6.034 -1.867
276 H GLU 41 H GLU 41 -3.769 5.980 2.668
277 HA GLU 41 HA GLU 41 -2.021 5.146 4.898
278 1HB GLU 41 2HB GLU 41 -4.942 5.375 5.364
279 2HB GLU 41 1HB GLU 41 -3.600 5.681 6.459
280 1HG GLU 41 2HG GLU 41 -3.209 7.694 4.768
281 2HG GLU 41 1HG GLU 41 -4.945 7.486 4.547
282 H LEU 42 H LEU 42 -3.452 3.375 6.212
283 HA LEU 42 HA LEU 42 -4.090 1.302 4.220
284 1HB LEU 42 2HB LEU 42 -2.293 1.253 6.410
285 2HB LEU 42 1HB LEU 42 -3.626 0.188 6.812
286 HG LEU 42 HG LEU 42 -1.560 -0.791 5.596
287 1HD1 LEU 42 1HD1 LEU 42 -3.900 -1.635 4.067
288 2HD1 LEU 42 2HD1 LEU 42 -4.172 -1.567 5.809
289 3HD1 LEU 42 3HD1 LEU 42 -2.864 -2.554 5.158
290 1HD2 LEU 42 1HD2 LEU 42 -1.272 -0.429 3.371
291 2HD2 LEU 42 2HD2 LEU 42 -1.941 1.141 3.815
292 3HD2 LEU 42 3HD2 LEU 42 -2.979 -0.086 3.092
293 H VAL 43 H VAL 43 -6.047 0.365 4.270
294 HA VAL 43 HA VAL 43 -7.822 1.069 6.510
295 HB VAL 43 HB VAL 43 -9.549 0.387 4.517
296 1HG1 VAL 43 1HG1 VAL 43 -8.611 3.213 4.683
297 2HG1 VAL 43 2HG1 VAL 43 -9.312 2.445 6.108
298 3HG1 VAL 43 3HG1 VAL 43 -10.254 2.573 4.623
299 1HG2 VAL 43 1HG2 VAL 43 -8.750 1.787 2.552
300 2HG2 VAL 43 2HG2 VAL 43 -7.994 0.207 2.759
301 3HG2 VAL 43 3HG2 VAL 43 -7.139 1.666 3.258
302 H HIS 44 H HIS 44 -7.346 -1.389 3.986
303 HA HIS 44 HA HIS 44 -8.087 -3.435 5.959
304 1HB HIS 44 2HB HIS 44 -8.874 -4.157 3.249
305 2HB HIS 44 1HB HIS 44 -9.800 -4.232 4.744
306 HD1 HIS 44 1HD HIS 44 -11.003 -1.929 5.452
307 HD2 HIS 44 2HD HIS 44 -9.581 -2.146 1.554
308 HE1 HIS 44 1HE HIS 44 -12.166 -0.078 4.210
309 HE2 HIS 44 2HE HIS 44 -11.215 -0.167 1.877
310 H LYS 45 H LYS 45 -7.020 -5.388 5.795
311 HA LYS 45 HA LYS 45 -4.564 -5.308 4.233
312 1HB LYS 45 2HB LYS 45 -5.543 -6.974 6.529
313 2HB LYS 45 1HB LYS 45 -4.151 -7.486 5.585
314 1HG LYS 45 2HG LYS 45 -2.922 -6.259 6.965
315 2HG LYS 45 1HG LYS 45 -3.608 -4.842 6.168
316 1HD LYS 45 2HD LYS 45 -4.233 -4.308 8.272
317 2HD LYS 45 1HD LYS 45 -5.577 -5.394 7.917
318 1HE LYS 45 2HE LYS 45 -4.867 -6.941 9.379
319 2HE LYS 45 1HE LYS 45 -3.180 -6.748 8.904
320 1HZ LYS 45 1HZ LYS 45 -3.739 -4.436 10.210
321 2HZ LYS 45 2HZ LYS 45 -2.933 -5.767 10.872
322 3HZ LYS 45 3HZ LYS 45 -4.598 -5.586 11.109
323 H GLY 46 H GLY 46 -6.124 -5.569 2.288
324 1HA GLY 46 2HA GLY 46 -5.685 -8.027 1.093
325 2HA GLY 46 1HA GLY 46 -7.293 -8.106 1.799
326 H ARG 47 H ARG 47 -8.042 -8.359 -0.403
327 HA ARG 47 HA ARG 47 -7.747 -6.162 -2.237
328 1HB ARG 47 2HB ARG 47 -9.776 -8.365 -2.492
329 2HB ARG 47 1HB ARG 47 -8.958 -7.469 -3.767
330 1HG ARG 47 2HG ARG 47 -6.812 -8.562 -2.805
331 2HG ARG 47 1HG ARG 47 -7.940 -9.707 -2.078
332 1HD ARG 47 2HD ARG 47 -8.800 -9.453 -4.709
333 2HD ARG 47 1HD ARG 47 -7.040 -9.483 -4.820
334 HE ARG 47 HE ARG 47 -8.769 -11.655 -4.065
335 1HH1 ARG 47 1HH1 ARG 47 -5.556 -10.337 -3.848
336 2HH1 ARG 47 2HH1 ARG 47 -4.804 -11.871 -3.562
337 1HH2 ARG 47 1HH2 ARG 47 -7.794 -13.681 -3.689
338 2HH2 ARG 47 2HH2 ARG 47 -6.077 -13.775 -3.475
339 H CYS 48 H CYS 48 -8.644 -4.936 -0.114
340 HA CYS 48 HA CYS 48 -10.321 -3.723 0.853
341 1HB CYS 48 2HB CYS 48 -10.556 -3.525 -2.068
342 2HB CYS 48 1HB CYS 48 -12.002 -3.036 -1.190
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 11.480 12.925 4.694
2 2H LYS 1 2HT LYS 1 10.822 11.690 5.685
3 3H LYS 1 3HT LYS 1 9.928 13.125 5.393
4 HA LYS 1 HA LYS 1 8.987 12.201 3.698
5 1HB LYS 1 2HB LYS 1 11.656 12.777 2.872
6 2HB LYS 1 1HB LYS 1 11.167 11.273 2.107
7 1HG LYS 1 2HG LYS 1 9.193 12.364 1.193
8 2HG LYS 1 1HG LYS 1 9.658 13.874 1.980
9 1HD LYS 1 2HD LYS 1 11.758 12.671 0.325
10 2HD LYS 1 1HD LYS 1 10.321 13.170 -0.570
11 1HE LYS 1 2HE LYS 1 10.705 15.311 1.057
12 2HE LYS 1 1HE LYS 1 12.366 14.787 0.784
13 1HZ LYS 1 1HZ LYS 1 11.201 16.433 -0.847
14 2HZ LYS 1 2HZ LYS 1 10.570 15.015 -1.522
15 3HZ LYS 1 3HZ LYS 1 12.244 15.238 -1.435
16 HA PRO 2 HA PRO 2 9.968 7.845 5.052
17 1HB PRO 2 2HB PRO 2 8.192 7.479 6.993
18 2HB PRO 2 1HB PRO 2 9.679 8.386 7.309
19 1HG PRO 2 2HG PRO 2 6.920 9.412 6.749
20 2HG PRO 2 1HG PRO 2 8.082 9.952 7.973
21 1HD PRO 2 2HD PRO 2 7.693 11.182 5.533
22 2HD PRO 2 1HD PRO 2 9.181 11.304 6.492
23 H ASP 3 H ASP 3 8.386 8.908 2.922
24 HA ASP 3 HA ASP 3 6.086 7.071 2.919
25 1HB ASP 3 2HB ASP 3 6.477 9.504 1.169
26 2HB ASP 3 1HB ASP 3 5.026 8.513 1.293
27 H CYS 4 H CYS 4 8.638 6.100 2.399
28 HA CYS 4 HA CYS 4 8.233 5.095 -0.282
29 1HB CYS 4 2HB CYS 4 10.932 6.225 0.422
30 2HB CYS 4 1HB CYS 4 10.339 5.721 -1.157
31 HA PRO 5 HA PRO 5 10.010 1.566 1.724
32 1HB PRO 5 2HB PRO 5 9.756 -0.158 -0.306
33 2HB PRO 5 1HB PRO 5 8.344 0.528 0.503
34 1HG PRO 5 2HG PRO 5 9.450 1.114 -2.174
35 2HG PRO 5 1HG PRO 5 7.795 1.299 -1.574
36 1HD PRO 5 2HD PRO 5 9.825 3.316 -1.829
37 2HD PRO 5 1HD PRO 5 8.167 3.504 -1.228
38 H LEU 6 H LEU 6 11.412 -0.439 0.643
39 HA LEU 6 HA LEU 6 13.631 0.380 -0.956
40 1HB LEU 6 2HB LEU 6 14.265 1.448 1.161
41 2HB LEU 6 1HB LEU 6 14.096 -0.086 1.993
42 HG LEU 6 HG LEU 6 16.026 -0.980 0.999
43 1HD1 LEU 6 1HD1 LEU 6 15.831 -0.541 -1.271
44 2HD1 LEU 6 2HD1 LEU 6 17.239 0.412 -0.800
45 3HD1 LEU 6 3HD1 LEU 6 15.677 1.198 -1.024
46 1HD2 LEU 6 1HD2 LEU 6 16.527 0.679 2.710
47 2HD2 LEU 6 2HD2 LEU 6 16.563 1.948 1.486
48 3HD2 LEU 6 3HD2 LEU 6 17.776 0.668 1.465
49 H ILE 7 H ILE 7 11.948 -1.603 -1.449
50 HA ILE 7 HA ILE 7 11.823 -3.813 -1.969
51 HB ILE 7 HB ILE 7 14.733 -3.708 -1.187
52 1HG1 ILE 7 2HG1 ILE 7 14.360 -4.489 -3.864
53 2HG1 ILE 7 1HG1 ILE 7 13.207 -3.188 -3.586
54 1HG2 ILE 7 1HG2 ILE 7 13.007 -6.038 -1.777
55 2HG2 ILE 7 2HG2 ILE 7 14.461 -5.925 -0.785
56 3HG2 ILE 7 3HG2 ILE 7 14.596 -6.009 -2.542
57 1HD1 ILE 7 1HD1 ILE 7 15.943 -2.980 -4.143
58 2HD1 ILE 7 2HD1 ILE 7 15.740 -2.483 -2.463
59 3HD1 ILE 7 3HD1 ILE 7 14.817 -1.684 -3.736
60 H CYS 8 H CYS 8 10.311 -4.121 -0.292
61 HA CYS 8 HA CYS 8 11.190 -4.883 2.327
62 1HB CYS 8 2HB CYS 8 8.806 -3.935 1.219
63 2HB CYS 8 1HB CYS 8 8.443 -5.535 1.846
64 H THR 9 H THR 9 8.915 -6.686 0.292
65 HA THR 9 HA THR 9 10.532 -9.024 0.200
66 HB THR 9 HB THR 9 10.030 -9.203 2.533
67 HG1 THR 9 1HG THR 9 9.120 -11.188 2.527
68 1HG2 THR 9 1HG2 THR 9 8.235 -7.965 3.140
69 2HG2 THR 9 2HG2 THR 9 7.464 -9.549 3.056
70 3HG2 THR 9 3HG2 THR 9 7.300 -8.416 1.714
71 H MET 10 H MET 10 8.999 -11.014 -0.280
72 HA MET 10 HA MET 10 7.121 -10.083 -2.338
73 1HB MET 10 2HB MET 10 9.131 -12.175 -2.255
74 2HB MET 10 1HB MET 10 7.562 -12.813 -2.728
75 1HG MET 10 2HG MET 10 7.778 -10.515 -4.220
76 2HG MET 10 1HG MET 10 9.425 -11.143 -4.202
77 1HE MET 10 1HE MET 10 8.906 -12.084 -7.452
78 2HE MET 10 2HE MET 10 9.806 -13.346 -6.611
79 3HE MET 10 3HE MET 10 9.977 -11.662 -6.116
80 H GLN 11 H GLN 11 6.714 -10.576 0.634
81 HA GLN 11 HA GLN 11 4.960 -12.822 0.837
82 1HB GLN 11 2HB GLN 11 6.209 -11.063 2.626
83 2HB GLN 11 1HB GLN 11 4.486 -10.779 2.836
84 1HG GLN 11 2HG GLN 11 4.382 -13.393 2.939
85 2HG GLN 11 1HG GLN 11 6.086 -13.232 3.363
86 1HE2 GLN 11 1HE2 GLN 11 6.241 -11.123 4.937
87 2HE2 GLN 11 2HE2 GLN 11 5.262 -11.299 6.348
88 H TYR 12 H TYR 12 3.999 -11.825 -1.291
89 HA TYR 12 HA TYR 12 2.432 -9.812 -1.767
90 1HB TYR 12 2HB TYR 12 2.314 -12.543 -2.516
91 2HB TYR 12 1HB TYR 12 0.666 -12.007 -2.197
92 HD1 TYR 12 1HD TYR 12 -0.320 -11.757 -4.293
93 HD2 TYR 12 2HD TYR 12 3.546 -10.115 -3.612
94 HE1 TYR 12 1HE TYR 12 -0.402 -10.667 -6.495
95 HE2 TYR 12 2HE TYR 12 3.475 -9.021 -5.812
96 HH TYR 12 HH TYR 12 0.779 -8.528 -7.536
97 H ASP 13 H ASP 13 1.585 -8.621 -0.166
98 HA ASP 13 HA ASP 13 -0.746 -9.750 1.231
99 1HB ASP 13 2HB ASP 13 1.568 -8.975 2.507
100 2HB ASP 13 1HB ASP 13 0.589 -7.515 2.598
101 HA PRO 14 HA PRO 14 -1.593 -6.125 -1.709
102 1HB PRO 14 2HB PRO 14 -4.111 -7.295 -2.208
103 2HB PRO 14 1HB PRO 14 -2.705 -7.322 -3.277
104 1HG PRO 14 2HG PRO 14 -3.657 -9.378 -1.339
105 2HG PRO 14 1HG PRO 14 -2.892 -9.595 -2.925
106 1HD PRO 14 2HD PRO 14 -1.505 -10.004 -0.691
107 2HD PRO 14 1HD PRO 14 -0.750 -9.182 -2.077
108 H VAL 15 H VAL 15 -1.765 -4.724 0.065
109 HA VAL 15 HA VAL 15 -4.254 -4.812 1.605
110 HB VAL 15 HB VAL 15 -3.165 -3.382 3.183
111 1HG1 VAL 15 1HG1 VAL 15 -2.359 -5.933 2.694
112 2HG1 VAL 15 2HG1 VAL 15 -1.897 -4.982 4.106
113 3HG1 VAL 15 3HG1 VAL 15 -0.823 -5.063 2.709
114 1HG2 VAL 15 1HG2 VAL 15 -1.126 -3.040 1.028
115 2HG2 VAL 15 2HG2 VAL 15 -0.705 -2.757 2.717
116 3HG2 VAL 15 3HG2 VAL 15 -1.981 -1.809 1.955
117 H CYS 16 H CYS 16 -5.759 -3.358 1.363
118 HA CYS 16 HA CYS 16 -5.540 -1.448 -0.764
119 1HB CYS 16 2HB CYS 16 -7.617 -2.777 0.619
120 2HB CYS 16 1HB CYS 16 -7.858 -1.058 0.809
121 H GLY 17 H GLY 17 -4.777 0.547 -0.543
122 1HA GLY 17 2HA GLY 17 -4.483 1.573 2.173
123 2HA GLY 17 1HA GLY 17 -3.574 2.111 0.772
124 H SER 18 H SER 18 -5.209 3.440 2.873
125 HA SER 18 HA SER 18 -7.558 4.530 1.919
126 1HB SER 18 2HB SER 18 -5.429 5.813 3.650
127 2HB SER 18 1HB SER 18 -7.057 6.454 3.427
128 HG SER 18 HG SER 18 -7.285 5.255 5.200
129 H ASP 19 H ASP 19 -7.460 4.909 -0.176
130 HA ASP 19 HA ASP 19 -6.842 7.433 -1.132
131 1HB ASP 19 2HB ASP 19 -4.467 6.521 -0.865
132 2HB ASP 19 1HB ASP 19 -4.858 5.394 -2.160
133 H GLY 20 H GLY 20 -7.195 4.018 -1.704
134 1HA GLY 20 2HA GLY 20 -9.253 3.380 -2.894
135 2HA GLY 20 1HA GLY 20 -8.832 4.608 -4.081
136 H ILE 21 H ILE 21 -6.468 2.432 -2.592
137 HA ILE 21 HA ILE 21 -6.436 0.863 -5.074
138 HB ILE 21 HB ILE 21 -4.122 2.472 -4.042
139 1HG1 ILE 21 2HG1 ILE 21 -5.681 2.326 -6.611
140 2HG1 ILE 21 1HG1 ILE 21 -5.397 3.724 -5.580
141 1HG2 ILE 21 1HG2 ILE 21 -3.275 0.242 -4.444
142 2HG2 ILE 21 2HG2 ILE 21 -2.729 1.323 -5.727
143 3HG2 ILE 21 3HG2 ILE 21 -4.055 0.201 -6.026
144 1HD1 ILE 21 1HD1 ILE 21 -3.976 4.169 -7.303
145 2HD1 ILE 21 2HD1 ILE 21 -3.627 2.466 -7.603
146 3HD1 ILE 21 3HD1 ILE 21 -2.896 3.286 -6.225
147 H THR 22 H THR 22 -5.063 -1.013 -5.020
148 HA THR 22 HA THR 22 -4.753 -2.119 -2.306
149 HB THR 22 HB THR 22 -5.405 -3.498 -4.917
150 HG1 THR 22 1HG THR 22 -7.227 -4.180 -3.591
151 1HG2 THR 22 1HG2 THR 22 -5.527 -5.584 -3.651
152 2HG2 THR 22 2HG2 THR 22 -4.864 -4.761 -2.240
153 3HG2 THR 22 3HG2 THR 22 -3.887 -4.937 -3.698
154 H TYR 23 H TYR 23 -2.668 -1.975 -1.773
155 HA TYR 23 HA TYR 23 -0.626 -2.226 -3.817
156 1HB TYR 23 2HB TYR 23 -0.262 -1.605 -0.892
157 2HB TYR 23 1HB TYR 23 0.842 -1.268 -2.219
158 HD1 TYR 23 1HD TYR 23 -2.340 -0.321 -0.659
159 HD2 TYR 23 2HD TYR 23 0.474 0.603 -3.712
160 HE1 TYR 23 1HE TYR 23 -3.487 1.813 -1.053
161 HE2 TYR 23 2HE TYR 23 -0.656 2.751 -4.105
162 HH TYR 23 HH TYR 23 -2.734 3.831 -3.758
163 H GLY 24 H GLY 24 0.789 -3.772 -3.997
164 1HA GLY 24 2HA GLY 24 0.309 -6.368 -3.248
165 2HA GLY 24 1HA GLY 24 1.905 -5.765 -3.665
166 H ASN 25 H ASN 25 1.667 -3.856 -1.370
167 HA ASN 25 HA ASN 25 1.477 -5.274 1.033
168 1HB ASN 25 2HB ASN 25 4.188 -5.186 -0.237
169 2HB ASN 25 1HB ASN 25 4.049 -5.110 1.513
170 1HD2 ASN 25 1HD2 ASN 25 5.036 -7.158 -0.516
171 2HD2 ASN 25 2HD2 ASN 25 4.288 -8.628 -0.003
172 H ALA 26 H ALA 26 1.890 -3.991 2.863
173 HA ALA 26 HA ALA 26 1.348 -1.293 2.633
174 1HB ALA 26 1HB ALA 26 1.087 -2.472 4.736
175 2HB ALA 26 2HB ALA 26 2.153 -1.086 4.963
176 3HB ALA 26 3HB ALA 26 2.831 -2.710 4.851
177 H CYS 27 H CYS 27 4.342 -3.015 2.390
178 HA CYS 27 HA CYS 27 6.077 -0.753 2.630
179 1HB CYS 27 2HB CYS 27 6.481 -3.499 1.431
180 2HB CYS 27 1HB CYS 27 7.760 -2.311 1.634
181 H MET 28 H MET 28 4.701 -2.628 -0.015
182 HA MET 28 HA MET 28 5.901 -1.221 -2.126
183 1HB MET 28 2HB MET 28 3.266 -2.707 -1.989
184 2HB MET 28 1HB MET 28 4.058 -2.200 -3.477
185 1HG MET 28 2HG MET 28 5.972 -3.632 -1.974
186 2HG MET 28 1HG MET 28 4.476 -4.561 -1.930
187 1HE MET 28 1HE MET 28 7.411 -4.806 -3.015
188 2HE MET 28 2HE MET 28 7.575 -4.981 -4.761
189 3HE MET 28 3HE MET 28 6.811 -6.257 -3.815
190 H LEU 29 H LEU 29 3.370 -0.530 0.069
191 HA LEU 29 HA LEU 29 1.969 1.425 -1.378
192 1HB LEU 29 2HB LEU 29 1.884 0.269 1.194
193 2HB LEU 29 1HB LEU 29 2.015 2.006 1.421
194 HG LEU 29 HG LEU 29 -0.111 0.486 -0.030
195 1HD1 LEU 29 1HD1 LEU 29 -1.186 0.741 1.881
196 2HD1 LEU 29 2HD1 LEU 29 -1.112 2.489 1.656
197 3HD1 LEU 29 3HD1 LEU 29 0.162 1.660 2.552
198 1HD2 LEU 29 1HD2 LEU 29 0.576 3.406 -0.160
199 2HD2 LEU 29 2HD2 LEU 29 -1.030 2.793 -0.537
200 3HD2 LEU 29 3HD2 LEU 29 0.356 2.280 -1.492
201 H LEU 30 H LEU 30 4.577 1.661 1.033
202 HA LEU 30 HA LEU 30 4.865 4.407 1.066
203 1HB LEU 30 2HB LEU 30 7.280 2.617 0.952
204 2HB LEU 30 1HB LEU 30 7.072 4.112 1.845
205 HG LEU 30 HG LEU 30 6.224 1.357 2.540
206 1HD1 LEU 30 1HD1 LEU 30 8.214 2.294 3.546
207 2HD1 LEU 30 2HD1 LEU 30 6.957 2.094 4.767
208 3HD1 LEU 30 3HD1 LEU 30 7.298 3.693 4.107
209 1HD2 LEU 30 1HD2 LEU 30 4.131 1.996 2.995
210 2HD2 LEU 30 2HD2 LEU 30 4.523 3.707 2.813
211 3HD2 LEU 30 3HD2 LEU 30 4.838 2.887 4.343
212 H GLY 31 H GLY 31 5.882 2.039 -1.305
213 1HA GLY 31 2HA GLY 31 7.442 3.780 -2.926
214 2HA GLY 31 1HA GLY 31 6.694 2.273 -3.452
215 H ALA 32 H ALA 32 4.062 3.135 -2.596
216 HA ALA 32 HA ALA 32 3.236 4.445 -4.997
217 1HB ALA 32 1HB ALA 32 1.274 3.511 -4.506
218 2HB ALA 32 2HB ALA 32 1.215 4.316 -2.938
219 3HB ALA 32 3HB ALA 32 2.060 2.777 -3.109
220 H SER 33 H SER 33 2.676 5.267 -1.568
221 HA SER 33 HA SER 33 1.843 7.875 -1.944
222 1HB SER 33 2HB SER 33 3.365 7.953 0.409
223 2HB SER 33 1HB SER 33 1.642 7.603 0.278
224 HG SER 33 HG SER 33 2.053 5.611 0.772
225 H CYS 34 H CYS 34 5.056 6.538 -2.059
226 HA CYS 34 HA CYS 34 6.556 8.910 -1.824
227 1HB CYS 34 2HB CYS 34 7.394 6.471 -1.796
228 2HB CYS 34 1HB CYS 34 7.397 6.588 -3.546
229 H ARG 35 H ARG 35 5.451 7.173 -4.722
230 HA ARG 35 HA ARG 35 6.218 9.492 -6.347
231 1HB ARG 35 2HB ARG 35 5.197 6.949 -7.535
232 2HB ARG 35 1HB ARG 35 6.362 8.095 -8.183
233 1HG ARG 35 2HG ARG 35 6.993 6.444 -5.767
234 2HG ARG 35 1HG ARG 35 7.201 5.807 -7.398
235 1HD ARG 35 2HD ARG 35 8.408 8.413 -6.507
236 2HD ARG 35 1HD ARG 35 9.238 6.870 -6.318
237 HE ARG 35 HE ARG 35 9.502 6.740 -8.632
238 1HH1 ARG 35 1HH1 ARG 35 7.682 9.578 -7.729
239 2HH1 ARG 35 2HH1 ARG 35 7.884 10.348 -9.266
240 1HH2 ARG 35 1HH2 ARG 35 9.764 7.754 -10.657
241 2HH2 ARG 35 2HH2 ARG 35 9.060 9.312 -10.927
242 H SER 36 H SER 36 3.665 9.148 -4.646
243 HA SER 36 HA SER 36 1.718 9.503 -6.801
244 1HB SER 36 2HB SER 36 1.299 7.793 -4.993
245 2HB SER 36 1HB SER 36 1.157 9.126 -3.852
246 HG SER 36 HG SER 36 -0.744 8.144 -5.320
247 H ASP 37 H ASP 37 0.488 10.825 -4.022
248 HA ASP 37 HA ASP 37 1.703 13.312 -3.790
249 1HB ASP 37 2HB ASP 37 0.846 13.375 -6.232
250 2HB ASP 37 1HB ASP 37 -0.748 13.573 -5.512
251 H THR 38 H THR 38 0.231 11.252 -2.300
252 HA THR 38 HA THR 38 -1.309 13.009 -0.636
253 HB THR 38 HB THR 38 -2.796 10.626 -1.710
254 HG1 THR 38 1HG THR 38 -2.684 11.708 -3.543
255 1HG2 THR 38 1HG2 THR 38 -3.590 13.134 -0.279
256 2HG2 THR 38 2HG2 THR 38 -3.873 11.457 0.186
257 3HG2 THR 38 3HG2 THR 38 -4.752 12.154 -1.174
258 HA PRO 39 HA PRO 39 0.387 10.224 2.341
259 1HB PRO 39 2HB PRO 39 -1.343 10.744 4.406
260 2HB PRO 39 1HB PRO 39 0.012 11.788 3.964
261 1HG PRO 39 2HG PRO 39 -2.886 12.052 3.275
262 2HG PRO 39 1HG PRO 39 -1.729 13.306 3.755
263 1HD PRO 39 2HD PRO 39 -2.444 12.938 1.187
264 2HD PRO 39 1HD PRO 39 -0.802 13.440 1.641
265 H ILE 40 H ILE 40 -0.342 8.356 1.046
266 HA ILE 40 HA ILE 40 -2.900 7.191 1.420
267 HB ILE 40 HB ILE 40 -0.385 5.699 0.682
268 1HG1 ILE 40 2HG1 ILE 40 -2.225 7.292 -1.118
269 2HG1 ILE 40 1HG1 ILE 40 -0.563 7.713 -0.712
270 1HG2 ILE 40 1HG2 ILE 40 -2.483 4.753 -0.823
271 2HG2 ILE 40 2HG2 ILE 40 -3.229 5.087 0.740
272 3HG2 ILE 40 3HG2 ILE 40 -1.838 4.007 0.640
273 1HD1 ILE 40 1HD1 ILE 40 0.259 6.366 -2.276
274 2HD1 ILE 40 2HD1 ILE 40 -1.387 6.289 -2.906
275 3HD1 ILE 40 3HD1 ILE 40 -0.801 5.037 -1.810
276 H GLU 41 H GLU 41 -3.626 5.659 2.850
277 HA GLU 41 HA GLU 41 -1.709 4.802 4.932
278 1HB GLU 41 2HB GLU 41 -4.531 5.805 5.278
279 2HB GLU 41 1HB GLU 41 -3.701 4.875 6.517
280 1HG GLU 41 2HG GLU 41 -1.952 6.587 6.617
281 2HG GLU 41 1HG GLU 41 -2.815 7.525 5.398
282 H LEU 42 H LEU 42 -3.035 3.011 6.342
283 HA LEU 42 HA LEU 42 -3.863 1.030 4.334
284 1HB LEU 42 2HB LEU 42 -2.054 0.859 6.503
285 2HB LEU 42 1HB LEU 42 -3.434 -0.146 6.909
286 HG LEU 42 HG LEU 42 -1.657 -1.419 5.770
287 1HD1 LEU 42 1HD1 LEU 42 -3.240 -2.731 4.948
288 2HD1 LEU 42 2HD1 LEU 42 -3.613 -1.578 3.667
289 3HD1 LEU 42 3HD1 LEU 42 -4.389 -1.427 5.244
290 1HD2 LEU 42 1HD2 LEU 42 -1.387 0.820 4.202
291 2HD2 LEU 42 2HD2 LEU 42 -2.194 -0.322 3.127
292 3HD2 LEU 42 3HD2 LEU 42 -0.662 -0.756 3.885
293 H VAL 43 H VAL 43 -5.856 0.172 4.376
294 HA VAL 43 HA VAL 43 -7.547 0.820 6.697
295 HB VAL 43 HB VAL 43 -7.995 2.290 4.736
296 1HG1 VAL 43 1HG1 VAL 43 -9.452 1.015 2.954
297 2HG1 VAL 43 2HG1 VAL 43 -8.446 -0.347 3.445
298 3HG1 VAL 43 3HG1 VAL 43 -7.698 1.116 2.806
299 1HG2 VAL 43 1HG2 VAL 43 -10.054 0.507 5.939
300 2HG2 VAL 43 2HG2 VAL 43 -10.529 1.640 4.674
301 3HG2 VAL 43 3HG2 VAL 43 -9.789 2.238 6.159
302 H HIS 44 H HIS 44 -6.784 -1.419 4.115
303 HA HIS 44 HA HIS 44 -8.164 -3.524 5.606
304 1HB HIS 44 2HB HIS 44 -8.367 -3.594 2.628
305 2HB HIS 44 1HB HIS 44 -9.429 -4.301 3.842
306 HD1 HIS 44 1HD HIS 44 -10.134 -1.803 5.460
307 HD2 HIS 44 2HD HIS 44 -10.071 -1.938 1.313
308 HE1 HIS 44 1HE HIS 44 -11.611 0.077 4.704
309 HE2 HIS 44 2HE HIS 44 -11.569 -0.024 2.189
310 H LYS 45 H LYS 45 -7.045 -5.379 5.731
311 HA LYS 45 HA LYS 45 -4.421 -5.449 4.483
312 1HB LYS 45 2HB LYS 45 -5.492 -7.573 6.313
313 2HB LYS 45 1HB LYS 45 -3.829 -7.055 6.077
314 1HG LYS 45 2HG LYS 45 -5.660 -5.010 7.137
315 2HG LYS 45 1HG LYS 45 -5.333 -6.379 8.200
316 1HD LYS 45 2HD LYS 45 -2.915 -5.991 7.908
317 2HD LYS 45 1HD LYS 45 -3.281 -4.582 6.909
318 1HE LYS 45 2HE LYS 45 -4.604 -3.712 8.899
319 2HE LYS 45 1HE LYS 45 -3.829 -4.988 9.836
320 1HZ LYS 45 1HZ LYS 45 -2.624 -2.606 8.598
321 2HZ LYS 45 2HZ LYS 45 -1.673 -3.981 8.862
322 3HZ LYS 45 3HZ LYS 45 -2.428 -3.213 10.165
323 H GLY 46 H GLY 46 -6.059 -5.692 2.452
324 1HA GLY 46 2HA GLY 46 -5.426 -8.141 1.271
325 2HA GLY 46 1HA GLY 46 -7.071 -8.262 1.882
326 H ARG 47 H ARG 47 -7.809 -8.501 -0.282
327 HA ARG 47 HA ARG 47 -7.403 -6.366 -2.172
328 1HB ARG 47 2HB ARG 47 -9.584 -8.288 -2.663
329 2HB ARG 47 1HB ARG 47 -8.266 -7.784 -3.714
330 1HG ARG 47 2HG ARG 47 -6.838 -9.200 -1.997
331 2HG ARG 47 1HG ARG 47 -8.391 -10.004 -1.754
332 1HD ARG 47 2HD ARG 47 -8.132 -9.736 -4.518
333 2HD ARG 47 1HD ARG 47 -6.531 -10.214 -3.953
334 HE ARG 47 HE ARG 47 -8.189 -11.938 -2.681
335 1HH1 ARG 47 1HH1 ARG 47 -7.787 -11.018 -6.017
336 2HH1 ARG 47 2HH1 ARG 47 -8.269 -12.563 -6.634
337 1HH2 ARG 47 1HH2 ARG 47 -8.828 -13.972 -3.486
338 2HH2 ARG 47 2HH2 ARG 47 -8.863 -14.241 -5.196
339 H CYS 48 H CYS 48 -8.304 -5.004 -0.194
340 HA CYS 48 HA CYS 48 -9.939 -3.658 0.646
341 1HB CYS 48 2HB CYS 48 -10.201 -3.738 -2.245
342 2HB CYS 48 1HB CYS 48 -11.728 -3.349 -1.461
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 8.435 4.455 9.921
2 2H LYS 1 2HT LYS 1 8.174 3.624 8.442
3 3H LYS 1 3HT LYS 1 6.916 4.566 9.134
4 HA LYS 1 HA LYS 1 8.588 6.464 8.949
5 1HB LYS 1 2HB LYS 1 9.808 4.230 7.470
6 2HB LYS 1 1HB LYS 1 9.753 5.745 6.580
7 1HG LYS 1 2HG LYS 1 10.982 6.869 8.312
8 2HG LYS 1 1HG LYS 1 10.925 5.431 9.336
9 1HD LYS 1 2HD LYS 1 12.647 4.473 8.270
10 2HD LYS 1 1HD LYS 1 12.023 4.918 6.680
11 1HE LYS 1 2HE LYS 1 12.868 7.222 7.054
12 2HE LYS 1 1HE LYS 1 13.587 6.675 8.569
13 1HZ LYS 1 1HZ LYS 1 14.825 6.664 6.176
14 2HZ LYS 1 2HZ LYS 1 14.288 5.063 6.284
15 3HZ LYS 1 3HZ LYS 1 15.275 5.708 7.498
16 HA PRO 2 HA PRO 2 5.329 7.372 6.052
17 1HB PRO 2 2HB PRO 2 5.509 10.016 6.084
18 2HB PRO 2 1HB PRO 2 5.064 9.149 7.562
19 1HG PRO 2 2HG PRO 2 7.743 10.230 6.742
20 2HG PRO 2 1HG PRO 2 6.915 10.384 8.302
21 1HD PRO 2 2HD PRO 2 8.849 8.508 7.767
22 2HD PRO 2 1HD PRO 2 7.582 8.301 8.992
23 H ASP 3 H ASP 3 7.813 6.520 4.958
24 HA ASP 3 HA ASP 3 7.740 7.981 2.438
25 1HB ASP 3 2HB ASP 3 10.488 7.377 2.927
26 2HB ASP 3 1HB ASP 3 9.744 8.947 2.646
27 H CYS 4 H CYS 4 9.752 6.737 1.093
28 HA CYS 4 HA CYS 4 8.610 4.149 0.640
29 1HB CYS 4 2HB CYS 4 11.215 4.763 -0.614
30 2HB CYS 4 1HB CYS 4 9.732 4.149 -1.335
31 HA PRO 5 HA PRO 5 11.330 1.871 3.278
32 1HB PRO 5 2HB PRO 5 10.631 -0.602 2.557
33 2HB PRO 5 1HB PRO 5 9.489 0.465 3.384
34 1HG PRO 5 2HG PRO 5 9.686 -0.210 0.477
35 2HG PRO 5 1HG PRO 5 8.242 -0.045 1.491
36 1HD PRO 5 2HD PRO 5 9.210 1.915 -0.200
37 2HD PRO 5 1HD PRO 5 8.163 2.217 1.198
38 H LEU 6 H LEU 6 13.083 0.320 3.217
39 HA LEU 6 HA LEU 6 14.717 0.649 0.848
40 1HB LEU 6 2HB LEU 6 15.589 0.895 3.190
41 2HB LEU 6 1HB LEU 6 15.358 -0.830 3.400
42 HG LEU 6 HG LEU 6 17.002 -1.298 1.665
43 1HD1 LEU 6 1HD1 LEU 6 16.803 1.632 1.246
44 2HD1 LEU 6 2HD1 LEU 6 16.997 0.327 0.074
45 3HD1 LEU 6 3HD1 LEU 6 18.380 0.875 1.021
46 1HD2 LEU 6 1HD2 LEU 6 18.705 0.532 3.052
47 2HD2 LEU 6 2HD2 LEU 6 18.553 -1.214 3.251
48 3HD2 LEU 6 3HD2 LEU 6 17.516 -0.128 4.177
49 H ILE 7 H ILE 7 12.672 -0.784 0.011
50 HA ILE 7 HA ILE 7 12.149 -2.669 -1.156
51 HB ILE 7 HB ILE 7 14.955 -3.487 -0.405
52 1HG1 ILE 7 2HG1 ILE 7 14.319 -2.982 -3.214
53 2HG1 ILE 7 1HG1 ILE 7 14.081 -1.570 -2.190
54 1HG2 ILE 7 1HG2 ILE 7 13.593 -4.786 -2.680
55 2HG2 ILE 7 2HG2 ILE 7 13.057 -5.268 -1.072
56 3HG2 ILE 7 3HG2 ILE 7 14.751 -5.443 -1.526
57 1HD1 ILE 7 1HD1 ILE 7 16.285 -1.312 -1.812
58 2HD1 ILE 7 2HD1 ILE 7 16.414 -2.198 -3.332
59 3HD1 ILE 7 3HD1 ILE 7 16.598 -3.047 -1.797
60 H CYS 8 H CYS 8 10.508 -3.388 0.159
61 HA CYS 8 HA CYS 8 11.056 -4.851 2.573
62 1HB CYS 8 2HB CYS 8 8.813 -3.532 1.457
63 2HB CYS 8 1HB CYS 8 8.362 -5.199 1.773
64 H THR 9 H THR 9 8.783 -5.908 0.104
65 HA THR 9 HA THR 9 10.300 -8.209 -0.632
66 HB THR 9 HB THR 9 9.651 -9.010 1.541
67 HG1 THR 9 1HG THR 9 8.408 -10.819 0.902
68 1HG2 THR 9 1HG2 THR 9 7.837 -7.859 2.325
69 2HG2 THR 9 2HG2 THR 9 7.095 -9.393 1.869
70 3HG2 THR 9 3HG2 THR 9 6.955 -7.993 0.805
71 H MET 10 H MET 10 9.257 -9.490 -2.239
72 HA MET 10 HA MET 10 7.000 -8.094 -3.512
73 1HB MET 10 2HB MET 10 8.615 -9.986 -5.111
74 2HB MET 10 1HB MET 10 7.939 -8.425 -5.557
75 1HG MET 10 2HG MET 10 9.723 -7.318 -4.269
76 2HG MET 10 1HG MET 10 10.421 -8.898 -3.922
77 1HE MET 10 1HE MET 10 12.472 -6.613 -5.983
78 2HE MET 10 2HE MET 10 10.939 -6.053 -5.316
79 3HE MET 10 3HE MET 10 11.180 -6.085 -7.061
80 H GLN 11 H GLN 11 6.740 -10.071 -1.428
81 HA GLN 11 HA GLN 11 5.968 -12.547 -2.681
82 1HB GLN 11 2HB GLN 11 5.903 -11.468 0.112
83 2HB GLN 11 1HB GLN 11 4.957 -12.897 -0.284
84 1HG GLN 11 2HG GLN 11 7.901 -12.676 -0.841
85 2HG GLN 11 1HG GLN 11 7.247 -13.312 0.667
86 1HE2 GLN 11 1HE2 GLN 11 7.518 -15.426 0.642
87 2HE2 GLN 11 2HE2 GLN 11 7.125 -16.484 -0.665
88 H TYR 12 H TYR 12 3.723 -11.433 -0.308
89 HA TYR 12 HA TYR 12 1.890 -10.146 -1.995
90 1HB TYR 12 2HB TYR 12 1.968 -12.949 -2.329
91 2HB TYR 12 1HB TYR 12 0.493 -12.566 -1.452
92 HD1 TYR 12 1HD TYR 12 2.043 -10.254 -3.855
93 HD2 TYR 12 2HD TYR 12 -1.012 -13.152 -3.239
94 HE1 TYR 12 1HE TYR 12 0.972 -9.563 -5.958
95 HE2 TYR 12 2HE TYR 12 -2.090 -12.468 -5.340
96 HH TYR 12 HH TYR 12 -1.361 -11.361 -7.510
97 H ASP 13 H ASP 13 1.658 -8.824 -0.273
98 HA ASP 13 HA ASP 13 -0.017 -9.844 1.914
99 1HB ASP 13 2HB ASP 13 2.595 -8.852 2.228
100 2HB ASP 13 1HB ASP 13 1.541 -7.525 2.704
101 HA PRO 14 HA PRO 14 -1.581 -6.400 -0.968
102 1HB PRO 14 2HB PRO 14 -4.075 -7.689 -1.056
103 2HB PRO 14 1HB PRO 14 -2.842 -7.695 -2.320
104 1HG PRO 14 2HG PRO 14 -3.394 -9.713 -0.195
105 2HG PRO 14 1HG PRO 14 -2.886 -9.959 -1.877
106 1HD PRO 14 2HD PRO 14 -1.139 -10.229 0.110
107 2HD PRO 14 1HD PRO 14 -0.657 -9.431 -1.404
108 H VAL 15 H VAL 15 -2.019 -4.688 0.173
109 HA VAL 15 HA VAL 15 -4.179 -4.783 2.151
110 HB VAL 15 HB VAL 15 -2.892 -3.012 3.385
111 1HG1 VAL 15 1HG1 VAL 15 -1.958 -4.567 4.746
112 2HG1 VAL 15 2HG1 VAL 15 -1.131 -5.381 3.417
113 3HG1 VAL 15 3HG1 VAL 15 -2.849 -5.669 3.694
114 1HG2 VAL 15 1HG2 VAL 15 -1.316 -2.948 1.167
115 2HG2 VAL 15 2HG2 VAL 15 -0.333 -3.893 2.286
116 3HG2 VAL 15 3HG2 VAL 15 -0.877 -2.278 2.739
117 H CYS 16 H CYS 16 -5.737 -3.439 1.693
118 HA CYS 16 HA CYS 16 -5.473 -1.603 -0.490
119 1HB CYS 16 2HB CYS 16 -7.573 -2.938 0.847
120 2HB CYS 16 1HB CYS 16 -7.874 -1.222 0.958
121 H GLY 17 H GLY 17 -5.215 0.563 -0.415
122 1HA GLY 17 2HA GLY 17 -4.949 1.696 2.286
123 2HA GLY 17 1HA GLY 17 -3.987 2.197 0.908
124 H SER 18 H SER 18 -5.790 3.575 2.822
125 HA SER 18 HA SER 18 -8.145 4.470 1.776
126 1HB SER 18 2HB SER 18 -6.140 5.532 3.633
127 2HB SER 18 1HB SER 18 -7.070 6.784 2.814
128 HG SER 18 HG SER 18 -7.834 5.510 4.893
129 H ASP 19 H ASP 19 -8.280 4.706 -0.282
130 HA ASP 19 HA ASP 19 -7.806 7.021 -1.636
131 1HB ASP 19 2HB ASP 19 -5.384 6.545 -1.397
132 2HB ASP 19 1HB ASP 19 -5.614 5.008 -2.222
133 H GLY 20 H GLY 20 -8.042 3.574 -1.609
134 1HA GLY 20 2HA GLY 20 -9.940 2.538 -2.666
135 2HA GLY 20 1HA GLY 20 -9.766 3.687 -3.987
136 H ILE 21 H ILE 21 -6.903 2.263 -2.624
137 HA ILE 21 HA ILE 21 -6.775 0.509 -4.999
138 HB ILE 21 HB ILE 21 -4.682 2.340 -3.886
139 1HG1 ILE 21 2HG1 ILE 21 -4.460 3.039 -6.169
140 2HG1 ILE 21 1HG1 ILE 21 -5.423 1.679 -6.737
141 1HG2 ILE 21 1HG2 ILE 21 -4.202 -0.206 -5.410
142 2HG2 ILE 21 2HG2 ILE 21 -3.448 0.336 -3.911
143 3HG2 ILE 21 3HG2 ILE 21 -3.059 1.138 -5.432
144 1HD1 ILE 21 1HD1 ILE 21 -6.404 4.126 -6.461
145 2HD1 ILE 21 2HD1 ILE 21 -6.710 3.527 -4.831
146 3HD1 ILE 21 3HD1 ILE 21 -7.380 2.676 -6.224
147 H THR 22 H THR 22 -5.576 -1.376 -4.869
148 HA THR 22 HA THR 22 -5.214 -2.417 -2.137
149 HB THR 22 HB THR 22 -5.658 -4.054 -4.638
150 HG1 THR 22 1HG THR 22 -7.685 -3.626 -4.458
151 1HG2 THR 22 1HG2 THR 22 -4.628 -5.181 -2.661
152 2HG2 THR 22 2HG2 THR 22 -6.166 -5.861 -3.193
153 3HG2 THR 22 3HG2 THR 22 -6.107 -4.823 -1.770
154 H TYR 23 H TYR 23 -3.113 -1.974 -1.767
155 HA TYR 23 HA TYR 23 -1.107 -2.315 -3.783
156 1HB TYR 23 2HB TYR 23 -0.732 -1.739 -0.841
157 2HB TYR 23 1HB TYR 23 0.388 -1.400 -2.157
158 HD1 TYR 23 1HD TYR 23 -2.686 -0.350 -0.488
159 HD2 TYR 23 2HD TYR 23 -0.077 0.412 -3.761
160 HE1 TYR 23 1HE TYR 23 -3.815 1.799 -0.879
161 HE2 TYR 23 2HE TYR 23 -1.190 2.573 -4.148
162 HH TYR 23 HH TYR 23 -3.708 3.760 -1.980
163 H GLY 24 H GLY 24 0.394 -3.839 -3.978
164 1HA GLY 24 2HA GLY 24 -0.120 -6.452 -3.251
165 2HA GLY 24 1HA GLY 24 1.466 -5.857 -3.724
166 H ASN 25 H ASN 25 1.471 -3.963 -1.459
167 HA ASN 25 HA ASN 25 1.348 -5.480 0.935
168 1HB ASN 25 2HB ASN 25 4.120 -4.764 -0.037
169 2HB ASN 25 1HB ASN 25 3.717 -5.548 1.484
170 1HD2 ASN 25 1HD2 ASN 25 4.966 -6.068 -1.440
171 2HD2 ASN 25 2HD2 ASN 25 4.580 -7.739 -1.651
172 H ALA 26 H ALA 26 1.657 -4.232 2.792
173 HA ALA 26 HA ALA 26 1.006 -1.527 2.619
174 1HB ALA 26 1HB ALA 26 0.564 -2.139 4.739
175 2HB ALA 26 2HB ALA 26 2.241 -1.693 5.052
176 3HB ALA 26 3HB ALA 26 1.820 -3.377 4.746
177 H CYS 27 H CYS 27 4.027 -3.189 2.455
178 HA CYS 27 HA CYS 27 5.713 -0.929 2.930
179 1HB CYS 27 2HB CYS 27 6.196 -3.653 1.720
180 2HB CYS 27 1HB CYS 27 7.444 -2.427 1.825
181 H MET 28 H MET 28 4.311 -2.536 0.145
182 HA MET 28 HA MET 28 5.728 -1.062 -1.820
183 1HB MET 28 2HB MET 28 3.090 -2.537 -1.918
184 2HB MET 28 1HB MET 28 3.915 -1.889 -3.331
185 1HG MET 28 2HG MET 28 5.871 -3.386 -2.116
186 2HG MET 28 1HG MET 28 4.411 -4.331 -1.828
187 1HE MET 28 1HE MET 28 6.441 -5.852 -4.954
188 2HE MET 28 2HE MET 28 6.303 -5.897 -3.196
189 3HE MET 28 3HE MET 28 7.265 -4.640 -3.972
190 H LEU 29 H LEU 29 3.169 -0.400 0.306
191 HA LEU 29 HA LEU 29 1.878 1.634 -1.176
192 1HB LEU 29 2HB LEU 29 1.572 0.325 1.337
193 2HB LEU 29 1HB LEU 29 1.549 2.061 1.601
194 HG LEU 29 HG LEU 29 -0.308 0.398 -0.046
195 1HD1 LEU 29 1HD1 LEU 29 -1.809 0.898 1.525
196 2HD1 LEU 29 2HD1 LEU 29 -1.326 2.594 1.563
197 3HD1 LEU 29 3HD1 LEU 29 -0.430 1.403 2.503
198 1HD2 LEU 29 1HD2 LEU 29 0.389 3.284 -0.347
199 2HD2 LEU 29 2HD2 LEU 29 -1.241 2.723 -0.687
200 3HD2 LEU 29 3HD2 LEU 29 0.118 2.069 -1.590
201 H LEU 30 H LEU 30 4.041 1.769 1.649
202 HA LEU 30 HA LEU 30 4.334 4.515 1.737
203 1HB LEU 30 2HB LEU 30 6.802 2.944 2.204
204 2HB LEU 30 1HB LEU 30 6.056 4.179 3.197
205 HG LEU 30 HG LEU 30 5.235 1.286 3.006
206 1HD1 LEU 30 1HD1 LEU 30 6.946 2.836 4.787
207 2HD1 LEU 30 2HD1 LEU 30 6.831 1.091 4.555
208 3HD1 LEU 30 3HD1 LEU 30 5.700 1.914 5.629
209 1HD2 LEU 30 1HD2 LEU 30 3.523 3.369 3.408
210 2HD2 LEU 30 2HD2 LEU 30 4.011 2.978 5.058
211 3HD2 LEU 30 3HD2 LEU 30 3.292 1.736 4.033
212 H GLY 31 H GLY 31 5.718 2.168 -0.430
213 1HA GLY 31 2HA GLY 31 7.630 3.958 -1.616
214 2HA GLY 31 1HA GLY 31 7.103 2.408 -2.269
215 H ALA 32 H ALA 32 4.279 3.240 -1.994
216 HA ALA 32 HA ALA 32 4.018 4.520 -4.570
217 1HB ALA 32 1HB ALA 32 2.585 2.659 -4.154
218 2HB ALA 32 2HB ALA 32 1.579 4.108 -4.201
219 3HB ALA 32 3HB ALA 32 2.000 3.376 -2.653
220 H SER 33 H SER 33 2.613 5.134 -1.341
221 HA SER 33 HA SER 33 1.548 7.636 -1.882
222 1HB SER 33 2HB SER 33 2.381 7.800 0.769
223 2HB SER 33 1HB SER 33 0.834 7.171 0.201
224 HG SER 33 HG SER 33 1.518 5.411 1.144
225 H CYS 34 H CYS 34 4.835 6.686 -1.427
226 HA CYS 34 HA CYS 34 5.754 9.399 -0.929
227 1HB CYS 34 2HB CYS 34 7.871 8.450 -0.528
228 2HB CYS 34 1HB CYS 34 6.726 7.275 0.116
229 H ARG 35 H ARG 35 6.013 6.949 -3.471
230 HA ARG 35 HA ARG 35 7.588 8.600 -5.193
231 1HB ARG 35 2HB ARG 35 7.365 6.826 -6.808
232 2HB ARG 35 1HB ARG 35 7.663 6.124 -5.223
233 1HG ARG 35 2HG ARG 35 5.979 4.767 -5.871
234 2HG ARG 35 1HG ARG 35 5.001 6.071 -5.195
235 1HD ARG 35 2HD ARG 35 4.144 5.411 -7.367
236 2HD ARG 35 1HD ARG 35 4.782 7.053 -7.432
237 HE ARG 35 HE ARG 35 6.884 5.614 -8.253
238 1HH1 ARG 35 1HH1 ARG 35 3.532 5.557 -9.182
239 2HH1 ARG 35 2HH1 ARG 35 3.855 5.042 -10.805
240 1HH2 ARG 35 1HH2 ARG 35 7.324 4.934 -10.387
241 2HH2 ARG 35 2HH2 ARG 35 6.012 4.686 -11.489
242 H SER 36 H SER 36 4.163 8.026 -4.797
243 HA SER 36 HA SER 36 3.394 9.141 -7.311
244 1HB SER 36 2HB SER 36 1.898 7.592 -6.223
245 2HB SER 36 1HB SER 36 1.824 8.603 -4.781
246 HG SER 36 HG SER 36 1.124 9.883 -7.116
247 H ASP 37 H ASP 37 1.994 10.412 -4.374
248 HA ASP 37 HA ASP 37 3.328 12.852 -4.195
249 1HB ASP 37 2HB ASP 37 1.968 12.827 -6.544
250 2HB ASP 37 1HB ASP 37 0.737 13.486 -5.471
251 H THR 38 H THR 38 0.300 11.113 -3.944
252 HA THR 38 HA THR 38 -0.453 12.679 -1.590
253 HB THR 38 HB THR 38 -2.570 12.388 -2.237
254 HG1 THR 38 1HG THR 38 -3.007 10.464 -1.445
255 1HG2 THR 38 1HG2 THR 38 -1.290 12.368 -4.527
256 2HG2 THR 38 2HG2 THR 38 -3.027 12.077 -4.442
257 3HG2 THR 38 3HG2 THR 38 -1.912 10.719 -4.597
258 HA PRO 39 HA PRO 39 1.211 9.266 0.797
259 1HB PRO 39 2HB PRO 39 0.688 10.357 3.230
260 2HB PRO 39 1HB PRO 39 2.062 10.843 2.230
261 1HG PRO 39 2HG PRO 39 -0.600 12.170 2.566
262 2HG PRO 39 1HG PRO 39 1.014 12.900 2.508
263 1HD PRO 39 2HD PRO 39 -0.650 12.892 0.377
264 2HD PRO 39 1HD PRO 39 1.115 12.805 0.206
265 H ILE 40 H ILE 40 -0.755 8.101 -0.114
266 HA ILE 40 HA ILE 40 -3.252 8.030 1.053
267 HB ILE 40 HB ILE 40 -3.513 5.830 0.163
268 1HG1 ILE 40 2HG1 ILE 40 -1.014 5.301 1.070
269 2HG1 ILE 40 1HG1 ILE 40 -1.887 4.278 -0.058
270 1HG2 ILE 40 1HG2 ILE 40 -1.897 7.718 -1.487
271 2HG2 ILE 40 2HG2 ILE 40 -3.601 7.288 -1.617
272 3HG2 ILE 40 3HG2 ILE 40 -2.363 6.151 -2.146
273 1HD1 ILE 40 1HD1 ILE 40 0.600 5.134 -0.474
274 2HD1 ILE 40 2HD1 ILE 40 -0.283 6.460 -1.228
275 3HD1 ILE 40 3HD1 ILE 40 -0.532 4.806 -1.785
276 H GLU 41 H GLU 41 -4.029 5.878 2.289
277 HA GLU 41 HA GLU 41 -2.103 5.327 4.453
278 1HB GLU 41 2HB GLU 41 -5.010 5.907 5.008
279 2HB GLU 41 1HB GLU 41 -3.721 5.673 6.177
280 1HG GLU 41 2HG GLU 41 -3.343 7.866 4.251
281 2HG GLU 41 1HG GLU 41 -4.638 8.070 5.430
282 H LEU 42 H LEU 42 -3.347 3.609 6.012
283 HA LEU 42 HA LEU 42 -4.091 1.440 4.171
284 1HB LEU 42 2HB LEU 42 -2.308 1.524 6.368
285 2HB LEU 42 1HB LEU 42 -3.650 0.494 6.836
286 HG LEU 42 HG LEU 42 -1.670 -0.665 5.752
287 1HD1 LEU 42 1HD1 LEU 42 -3.120 -2.296 5.370
288 2HD1 LEU 42 2HD1 LEU 42 -3.772 -1.451 3.966
289 3HD1 LEU 42 3HD1 LEU 42 -4.421 -1.124 5.573
290 1HD2 LEU 42 1HD2 LEU 42 -1.281 -0.473 3.464
291 2HD2 LEU 42 2HD2 LEU 42 -1.515 1.194 3.988
292 3HD2 LEU 42 3HD2 LEU 42 -2.822 0.335 3.174
293 H VAL 43 H VAL 43 -6.044 0.495 4.263
294 HA VAL 43 HA VAL 43 -7.806 1.294 6.479
295 HB VAL 43 HB VAL 43 -8.355 2.487 4.399
296 1HG1 VAL 43 1HG1 VAL 43 -9.495 1.055 2.601
297 2HG1 VAL 43 2HG1 VAL 43 -8.609 -0.290 3.316
298 3HG1 VAL 43 3HG1 VAL 43 -7.732 1.088 2.655
299 1HG2 VAL 43 1HG2 VAL 43 -10.792 1.638 4.278
300 2HG2 VAL 43 2HG2 VAL 43 -10.186 2.307 5.793
301 3HG2 VAL 43 3HG2 VAL 43 -10.304 0.559 5.585
302 H HIS 44 H HIS 44 -7.080 -1.178 4.061
303 HA HIS 44 HA HIS 44 -8.203 -3.181 5.891
304 1HB HIS 44 2HB HIS 44 -8.472 -3.737 2.988
305 2HB HIS 44 1HB HIS 44 -9.530 -4.183 4.323
306 HD1 HIS 44 1HD HIS 44 -10.650 -1.767 5.416
307 HD2 HIS 44 2HD HIS 44 -9.727 -2.004 1.378
308 HE1 HIS 44 1HE HIS 44 -12.007 0.032 4.310
309 HE2 HIS 44 2HE HIS 44 -11.479 -0.163 1.854
310 H LYS 45 H LYS 45 -6.947 -4.937 6.189
311 HA LYS 45 HA LYS 45 -4.365 -4.959 4.845
312 1HB LYS 45 2HB LYS 45 -5.230 -6.849 7.021
313 2HB LYS 45 1HB LYS 45 -3.600 -6.349 6.590
314 1HG LYS 45 2HG LYS 45 -3.758 -4.948 8.312
315 2HG LYS 45 1HG LYS 45 -4.783 -3.972 7.257
316 1HD LYS 45 2HD LYS 45 -5.802 -4.384 9.469
317 2HD LYS 45 1HD LYS 45 -6.768 -5.032 8.142
318 1HE LYS 45 2HE LYS 45 -4.977 -7.063 8.920
319 2HE LYS 45 1HE LYS 45 -5.655 -6.390 10.401
320 1HZ LYS 45 1HZ LYS 45 -7.766 -7.027 9.831
321 2HZ LYS 45 2HZ LYS 45 -6.874 -8.291 9.146
322 3HZ LYS 45 3HZ LYS 45 -7.452 -7.038 8.169
323 H GLY 46 H GLY 46 -6.038 -5.597 2.947
324 1HA GLY 46 2HA GLY 46 -5.279 -8.198 2.156
325 2HA GLY 46 1HA GLY 46 -6.950 -8.219 2.704
326 H ARG 47 H ARG 47 -7.873 -8.623 0.727
327 HA ARG 47 HA ARG 47 -7.276 -6.850 -1.506
328 1HB ARG 47 2HB ARG 47 -9.225 -8.412 -2.483
329 2HB ARG 47 1HB ARG 47 -7.535 -8.896 -2.455
330 1HG ARG 47 2HG ARG 47 -7.848 -10.289 -0.599
331 2HG ARG 47 1HG ARG 47 -9.407 -9.558 -0.209
332 1HD ARG 47 2HD ARG 47 -10.118 -10.429 -2.544
333 2HD ARG 47 1HD ARG 47 -8.712 -11.482 -2.398
334 HE ARG 47 HE ARG 47 -9.878 -12.748 -0.901
335 1HH1 ARG 47 1HH1 ARG 47 -11.408 -9.629 -1.155
336 2HH1 ARG 47 2HH1 ARG 47 -12.754 -10.065 -0.156
337 1HH2 ARG 47 1HH2 ARG 47 -11.646 -13.333 0.412
338 2HH2 ARG 47 2HH2 ARG 47 -12.891 -12.172 0.735
339 H CYS 48 H CYS 48 -8.247 -5.232 0.265
340 HA CYS 48 HA CYS 48 -9.920 -3.805 0.872
341 1HB CYS 48 2HB CYS 48 -9.938 -4.133 -1.999
342 2HB CYS 48 1HB CYS 48 -11.545 -3.731 -1.408
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 2.462 11.120 7.298
2 2H LYS 1 2HT LYS 1 2.356 9.594 8.076
3 3H LYS 1 3HT LYS 1 3.121 9.729 6.545
4 HA LYS 1 HA LYS 1 4.425 11.514 8.088
5 1HB LYS 1 2HB LYS 1 3.167 10.357 9.978
6 2HB LYS 1 1HB LYS 1 4.141 8.938 9.631
7 1HG LYS 1 2HG LYS 1 6.072 9.896 10.415
8 2HG LYS 1 1HG LYS 1 5.502 11.540 10.118
9 1HD LYS 1 2HD LYS 1 3.696 10.608 11.960
10 2HD LYS 1 1HD LYS 1 5.199 9.843 12.479
11 1HE LYS 1 2HE LYS 1 6.288 12.074 12.419
12 2HE LYS 1 1HE LYS 1 4.720 12.789 12.047
13 1HZ LYS 1 1HZ LYS 1 5.307 11.206 14.490
14 2HZ LYS 1 2HZ LYS 1 3.875 12.038 14.146
15 3HZ LYS 1 3HZ LYS 1 5.305 12.897 14.421
16 HA PRO 2 HA PRO 2 7.212 7.645 7.105
17 1HB PRO 2 2HB PRO 2 5.961 5.617 5.759
18 2HB PRO 2 1HB PRO 2 6.174 5.647 7.512
19 1HG PRO 2 2HG PRO 2 3.778 6.395 5.882
20 2HG PRO 2 1HG PRO 2 3.860 5.464 7.390
21 1HD PRO 2 2HD PRO 2 3.144 8.050 7.368
22 2HD PRO 2 1HD PRO 2 4.098 7.359 8.695
23 H ASP 3 H ASP 3 7.723 6.434 4.854
24 HA ASP 3 HA ASP 3 6.665 7.696 2.514
25 1HB ASP 3 2HB ASP 3 9.250 8.647 3.692
26 2HB ASP 3 1HB ASP 3 9.069 8.595 1.941
27 H CYS 4 H CYS 4 8.182 7.151 0.578
28 HA CYS 4 HA CYS 4 8.199 4.605 -0.081
29 1HB CYS 4 2HB CYS 4 10.830 5.366 -0.854
30 2HB CYS 4 1HB CYS 4 9.374 5.336 -1.836
31 HA PRO 5 HA PRO 5 10.910 2.453 2.703
32 1HB PRO 5 2HB PRO 5 10.386 -0.015 1.862
33 2HB PRO 5 1HB PRO 5 9.118 0.971 2.602
34 1HG PRO 5 2HG PRO 5 9.537 0.261 -0.251
35 2HG PRO 5 1HG PRO 5 8.028 0.575 0.622
36 1HD PRO 5 2HD PRO 5 9.496 2.387 -1.021
37 2HD PRO 5 1HD PRO 5 8.056 2.740 -0.049
38 H LEU 6 H LEU 6 12.428 0.378 2.382
39 HA LEU 6 HA LEU 6 14.222 0.993 0.125
40 1HB LEU 6 2HB LEU 6 14.795 0.093 2.938
41 2HB LEU 6 1HB LEU 6 15.971 -0.117 1.654
42 HG LEU 6 HG LEU 6 14.807 2.582 2.286
43 1HD1 LEU 6 1HD1 LEU 6 17.452 2.243 3.330
44 2HD1 LEU 6 2HD1 LEU 6 16.368 1.049 4.045
45 3HD1 LEU 6 3HD1 LEU 6 15.984 2.766 4.156
46 1HD2 LEU 6 1HD2 LEU 6 17.481 1.859 1.116
47 2HD2 LEU 6 2HD2 LEU 6 16.668 3.425 1.105
48 3HD2 LEU 6 3HD2 LEU 6 16.039 2.098 0.129
49 H ILE 7 H ILE 7 12.358 -0.591 -0.690
50 HA ILE 7 HA ILE 7 11.905 -2.606 -1.645
51 HB ILE 7 HB ILE 7 14.767 -3.182 -0.880
52 1HG1 ILE 7 2HG1 ILE 7 13.594 -2.587 -3.599
53 2HG1 ILE 7 1HG1 ILE 7 14.288 -1.349 -2.557
54 1HG2 ILE 7 1HG2 ILE 7 14.283 -4.901 -2.883
55 2HG2 ILE 7 2HG2 ILE 7 12.691 -4.872 -2.125
56 3HG2 ILE 7 3HG2 ILE 7 14.110 -5.325 -1.180
57 1HD1 ILE 7 1HD1 ILE 7 16.112 -3.544 -2.848
58 2HD1 ILE 7 2HD1 ILE 7 16.327 -1.840 -3.249
59 3HD1 ILE 7 3HD1 ILE 7 15.607 -2.939 -4.426
60 H CYS 8 H CYS 8 10.337 -3.342 -0.271
61 HA CYS 8 HA CYS 8 11.005 -4.472 2.275
62 1HB CYS 8 2HB CYS 8 8.680 -3.428 1.090
63 2HB CYS 8 1HB CYS 8 8.330 -5.095 1.517
64 H THR 9 H THR 9 8.793 -6.073 0.032
65 HA THR 9 HA THR 9 10.503 -8.286 -0.462
66 HB THR 9 HB THR 9 10.208 -8.794 1.845
67 HG1 THR 9 1HG THR 9 10.020 -10.704 0.927
68 1HG2 THR 9 1HG2 THR 9 8.388 -7.584 2.613
69 2HG2 THR 9 2HG2 THR 9 7.834 -9.257 2.691
70 3HG2 THR 9 3HG2 THR 9 7.316 -8.216 1.364
71 H MET 10 H MET 10 8.981 -10.314 -0.994
72 HA MET 10 HA MET 10 6.834 -9.284 -2.724
73 1HB MET 10 2HB MET 10 7.333 -10.992 -4.318
74 2HB MET 10 1HB MET 10 8.858 -10.226 -3.893
75 1HG MET 10 2HG MET 10 9.303 -12.087 -2.326
76 2HG MET 10 1HG MET 10 7.826 -12.867 -2.887
77 1HE MET 10 1HE MET 10 11.106 -13.035 -2.726
78 2HE MET 10 2HE MET 10 11.886 -13.342 -4.278
79 3HE MET 10 3HE MET 10 10.932 -14.608 -3.505
80 H GLN 11 H GLN 11 6.870 -10.332 0.110
81 HA GLN 11 HA GLN 11 5.469 -12.821 0.064
82 1HB GLN 11 2HB GLN 11 6.536 -11.020 2.068
83 2HB GLN 11 1HB GLN 11 4.911 -11.538 2.497
84 1HG GLN 11 2HG GLN 11 6.740 -13.655 1.577
85 2HG GLN 11 1HG GLN 11 7.132 -12.905 3.123
86 1HE2 GLN 11 1HE2 GLN 11 5.048 -12.590 4.514
87 2HE2 GLN 11 2HE2 GLN 11 4.064 -14.002 4.661
88 H TYR 12 H TYR 12 4.065 -11.888 -1.651
89 HA TYR 12 HA TYR 12 2.259 -10.102 -1.904
90 1HB TYR 12 2HB TYR 12 2.173 -12.884 -2.426
91 2HB TYR 12 1HB TYR 12 0.597 -12.410 -1.803
92 HD1 TYR 12 1HD TYR 12 -0.965 -11.902 -3.413
93 HD2 TYR 12 2HD TYR 12 3.120 -10.994 -4.183
94 HE1 TYR 12 1HE TYR 12 -1.584 -11.026 -5.626
95 HE2 TYR 12 2HE TYR 12 2.510 -10.114 -6.397
96 HH TYR 12 HH TYR 12 -0.234 -10.740 -7.939
97 H ASP 13 H ASP 13 1.867 -8.899 -0.087
98 HA ASP 13 HA ASP 13 -0.181 -9.989 1.724
99 1HB ASP 13 2HB ASP 13 2.370 -8.929 2.408
100 2HB ASP 13 1HB ASP 13 1.166 -7.745 2.908
101 HA PRO 14 HA PRO 14 -1.540 -6.499 -1.145
102 1HB PRO 14 2HB PRO 14 -4.077 -7.710 -1.260
103 2HB PRO 14 1HB PRO 14 -2.826 -7.768 -2.504
104 1HG PRO 14 2HG PRO 14 -3.486 -9.752 -0.380
105 2HG PRO 14 1HG PRO 14 -2.936 -10.023 -2.046
106 1HD PRO 14 2HD PRO 14 -1.262 -10.328 0.008
107 2HD PRO 14 1HD PRO 14 -0.706 -9.578 -1.506
108 H VAL 15 H VAL 15 -1.924 -4.757 0.027
109 HA VAL 15 HA VAL 15 -4.004 -4.880 2.098
110 HB VAL 15 HB VAL 15 -2.783 -2.958 3.140
111 1HG1 VAL 15 1HG1 VAL 15 -1.785 -4.437 4.486
112 2HG1 VAL 15 2HG1 VAL 15 -0.699 -4.976 3.205
113 3HG1 VAL 15 3HG1 VAL 15 -2.313 -5.673 3.344
114 1HG2 VAL 15 1HG2 VAL 15 -0.647 -3.709 1.154
115 2HG2 VAL 15 2HG2 VAL 15 -0.437 -2.599 2.509
116 3HG2 VAL 15 3HG2 VAL 15 -1.547 -2.193 1.201
117 H CYS 16 H CYS 16 -5.613 -3.523 1.957
118 HA CYS 16 HA CYS 16 -5.907 -1.941 -0.412
119 1HB CYS 16 2HB CYS 16 -7.604 -3.156 1.478
120 2HB CYS 16 1HB CYS 16 -7.922 -1.438 1.529
121 H GLY 17 H GLY 17 -5.147 0.027 -0.624
122 1HA GLY 17 2HA GLY 17 -4.482 1.556 1.772
123 2HA GLY 17 1HA GLY 17 -3.864 1.845 0.155
124 H SER 18 H SER 18 -5.384 3.365 2.351
125 HA SER 18 HA SER 18 -7.867 4.183 1.490
126 1HB SER 18 2HB SER 18 -7.019 4.922 3.630
127 2HB SER 18 1HB SER 18 -5.685 5.771 2.855
128 HG SER 18 HG SER 18 -8.198 6.507 1.992
129 H ASP 19 H ASP 19 -8.023 4.296 -0.613
130 HA ASP 19 HA ASP 19 -7.690 6.672 -1.977
131 1HB ASP 19 2HB ASP 19 -5.242 5.239 -1.842
132 2HB ASP 19 1HB ASP 19 -5.847 5.056 -3.485
133 H GLY 20 H GLY 20 -7.862 3.202 -1.991
134 1HA GLY 20 2HA GLY 20 -9.899 2.224 -2.909
135 2HA GLY 20 1HA GLY 20 -9.720 3.325 -4.270
136 H ILE 21 H ILE 21 -6.981 1.637 -2.816
137 HA ILE 21 HA ILE 21 -7.021 -0.247 -5.071
138 HB ILE 21 HB ILE 21 -4.726 1.594 -4.446
139 1HG1 ILE 21 2HG1 ILE 21 -6.688 2.424 -5.846
140 2HG1 ILE 21 1HG1 ILE 21 -5.093 2.546 -6.584
141 1HG2 ILE 21 1HG2 ILE 21 -3.869 -0.620 -4.920
142 2HG2 ILE 21 2HG2 ILE 21 -3.553 0.446 -6.290
143 3HG2 ILE 21 3HG2 ILE 21 -4.868 -0.725 -6.368
144 1HD1 ILE 21 1HD1 ILE 21 -6.316 0.026 -7.227
145 2HD1 ILE 21 2HD1 ILE 21 -5.728 1.299 -8.297
146 3HD1 ILE 21 3HD1 ILE 21 -7.371 1.370 -7.661
147 H THR 22 H THR 22 -6.026 -2.164 -4.772
148 HA THR 22 HA THR 22 -5.104 -2.773 -2.055
149 HB THR 22 HB THR 22 -5.858 -4.630 -4.328
150 HG1 THR 22 1HG THR 22 -7.802 -4.648 -3.508
151 1HG2 THR 22 1HG2 THR 22 -6.108 -6.010 -1.956
152 2HG2 THR 22 2HG2 THR 22 -4.584 -5.142 -1.781
153 3HG2 THR 22 3HG2 THR 22 -4.836 -6.213 -3.159
154 H TYR 23 H TYR 23 -3.007 -2.227 -1.959
155 HA TYR 23 HA TYR 23 -1.209 -2.621 -4.149
156 1HB TYR 23 2HB TYR 23 -0.609 -1.800 -1.307
157 2HB TYR 23 1HB TYR 23 0.421 -1.572 -2.716
158 HD1 TYR 23 1HD TYR 23 0.051 0.258 -4.231
159 HD2 TYR 23 2HD TYR 23 -2.780 -0.585 -1.168
160 HE1 TYR 23 1HE TYR 23 -1.129 2.354 -4.744
161 HE2 TYR 23 2HE TYR 23 -3.963 1.506 -1.669
162 HH TYR 23 HH TYR 23 -3.470 3.701 -2.710
163 H GLY 24 H GLY 24 0.437 -3.998 -4.356
164 1HA GLY 24 2HA GLY 24 0.192 -6.615 -3.551
165 2HA GLY 24 1HA GLY 24 1.710 -5.893 -4.064
166 H ASN 25 H ASN 25 1.419 -3.958 -1.762
167 HA ASN 25 HA ASN 25 1.482 -5.408 0.633
168 1HB ASN 25 2HB ASN 25 3.950 -5.391 -0.908
169 2HB ASN 25 1HB ASN 25 4.167 -4.690 0.693
170 1HD2 ASN 25 1HD2 ASN 25 5.021 -7.258 -0.613
171 2HD2 ASN 25 2HD2 ASN 25 4.537 -8.488 0.499
172 H ALA 26 H ALA 26 1.700 -4.087 2.432
173 HA ALA 26 HA ALA 26 0.978 -1.423 2.186
174 1HB ALA 26 1HB ALA 26 2.179 -1.388 4.600
175 2HB ALA 26 2HB ALA 26 1.985 -3.127 4.376
176 3HB ALA 26 3HB ALA 26 0.576 -2.068 4.317
177 H CYS 27 H CYS 27 4.080 -2.959 2.079
178 HA CYS 27 HA CYS 27 5.661 -0.611 2.440
179 1HB CYS 27 2HB CYS 27 6.258 -3.308 1.218
180 2HB CYS 27 1HB CYS 27 7.464 -2.057 1.462
181 H MET 28 H MET 28 4.378 -2.409 -0.298
182 HA MET 28 HA MET 28 5.650 -0.933 -2.334
183 1HB MET 28 2HB MET 28 3.003 -2.401 -2.367
184 2HB MET 28 1HB MET 28 3.927 -1.918 -3.785
185 1HG MET 28 2HG MET 28 5.795 -3.359 -2.966
186 2HG MET 28 1HG MET 28 4.720 -3.928 -1.692
187 1HE MET 28 1HE MET 28 5.389 -4.248 -5.746
188 2HE MET 28 2HE MET 28 5.431 -5.976 -5.397
189 3HE MET 28 3HE MET 28 6.395 -4.858 -4.433
190 H LEU 29 H LEU 29 3.024 -0.325 -0.223
191 HA LEU 29 HA LEU 29 1.711 1.673 -1.740
192 1HB LEU 29 2HB LEU 29 1.414 0.423 0.819
193 2HB LEU 29 1HB LEU 29 1.323 2.166 1.012
194 HG LEU 29 HG LEU 29 -0.436 0.381 -0.623
195 1HD1 LEU 29 1HD1 LEU 29 -1.917 2.288 0.713
196 2HD1 LEU 29 2HD1 LEU 29 -0.641 1.855 1.852
197 3HD1 LEU 29 3HD1 LEU 29 -1.693 0.604 1.189
198 1HD2 LEU 29 1HD2 LEU 29 0.093 3.305 -0.927
199 2HD2 LEU 29 2HD2 LEU 29 -1.481 2.621 -1.315
200 3HD2 LEU 29 3HD2 LEU 29 -0.047 2.065 -2.168
201 H LEU 30 H LEU 30 4.077 1.782 0.907
202 HA LEU 30 HA LEU 30 4.304 4.529 1.151
203 1HB LEU 30 2HB LEU 30 6.696 2.694 1.193
204 2HB LEU 30 1HB LEU 30 6.469 4.183 2.088
205 HG LEU 30 HG LEU 30 5.313 1.475 2.618
206 1HD1 LEU 30 1HD1 LEU 30 7.072 1.584 4.003
207 2HD1 LEU 30 2HD1 LEU 30 6.014 2.595 4.987
208 3HD1 LEU 30 3HD1 LEU 30 7.180 3.339 3.893
209 1HD2 LEU 30 1HD2 LEU 30 3.362 2.793 2.724
210 2HD2 LEU 30 2HD2 LEU 30 4.215 4.134 3.488
211 3HD2 LEU 30 3HD2 LEU 30 3.924 2.647 4.389
212 H GLY 31 H GLY 31 5.507 2.334 -1.280
213 1HA GLY 31 2HA GLY 31 7.208 4.202 -2.617
214 2HA GLY 31 1HA GLY 31 6.562 2.712 -3.301
215 H ALA 32 H ALA 32 3.823 3.422 -2.675
216 HA ALA 32 HA ALA 32 3.188 4.888 -5.047
217 1HB ALA 32 1HB ALA 32 1.540 3.728 -2.819
218 2HB ALA 32 2HB ALA 32 1.714 3.134 -4.470
219 3HB ALA 32 3HB ALA 32 0.828 4.627 -4.158
220 H SER 33 H SER 33 2.260 5.445 -1.638
221 HA SER 33 HA SER 33 1.405 8.050 -1.899
222 1HB SER 33 2HB SER 33 2.914 7.823 0.544
223 2HB SER 33 1HB SER 33 1.164 7.853 0.330
224 HG SER 33 HG SER 33 1.895 5.914 1.317
225 H CYS 34 H CYS 34 4.569 6.714 -1.950
226 HA CYS 34 HA CYS 34 6.009 9.163 -1.592
227 1HB CYS 34 2HB CYS 34 7.128 7.138 -1.003
228 2HB CYS 34 1HB CYS 34 6.809 6.426 -2.582
229 H ARG 35 H ARG 35 4.689 7.401 -4.315
230 HA ARG 35 HA ARG 35 6.141 8.540 -6.402
231 1HB ARG 35 2HB ARG 35 3.434 7.340 -6.128
232 2HB ARG 35 1HB ARG 35 3.715 8.327 -7.550
233 1HG ARG 35 2HG ARG 35 4.238 5.668 -7.354
234 2HG ARG 35 1HG ARG 35 4.959 6.762 -8.532
235 1HD ARG 35 2HD ARG 35 6.980 6.765 -7.492
236 2HD ARG 35 1HD ARG 35 6.278 6.585 -5.887
237 HE ARG 35 HE ARG 35 6.681 4.360 -6.077
238 1HH1 ARG 35 1HH1 ARG 35 6.261 5.657 -9.281
239 2HH1 ARG 35 2HH1 ARG 35 6.536 4.141 -10.071
240 1HH2 ARG 35 1HH2 ARG 35 7.057 2.360 -7.109
241 2HH2 ARG 35 2HH2 ARG 35 6.995 2.269 -8.838
242 H SER 36 H SER 36 3.482 9.692 -4.487
243 HA SER 36 HA SER 36 3.442 12.259 -5.927
244 1HB SER 36 2HB SER 36 1.305 10.954 -5.367
245 2HB SER 36 1HB SER 36 1.607 11.393 -3.693
246 HG SER 36 HG SER 36 1.546 13.593 -4.354
247 H ASP 37 H ASP 37 3.163 11.148 -2.604
248 HA ASP 37 HA ASP 37 5.384 12.407 -1.508
249 1HB ASP 37 2HB ASP 37 4.317 14.532 -2.034
250 2HB ASP 37 1HB ASP 37 2.819 14.003 -1.275
251 H THR 38 H THR 38 1.993 12.354 -0.508
252 HA THR 38 HA THR 38 2.309 9.946 0.996
253 HB THR 38 HB THR 38 3.356 11.754 2.443
254 HG1 THR 38 1HG THR 38 1.129 10.579 3.701
255 1HG2 THR 38 1HG2 THR 38 0.930 13.081 1.971
256 2HG2 THR 38 2HG2 THR 38 2.245 13.562 3.042
257 3HG2 THR 38 3HG2 THR 38 0.917 12.583 3.662
258 HA PRO 39 HA PRO 39 -2.112 11.362 0.198
259 1HB PRO 39 2HB PRO 39 -2.649 11.060 -2.368
260 2HB PRO 39 1HB PRO 39 -1.714 12.466 -1.837
261 1HG PRO 39 2HG PRO 39 -0.744 9.900 -3.051
262 2HG PRO 39 1HG PRO 39 -0.256 11.564 -3.423
263 1HD PRO 39 2HD PRO 39 1.117 9.854 -1.726
264 2HD PRO 39 1HD PRO 39 1.239 11.617 -1.721
265 H ILE 40 H ILE 40 -0.745 8.817 0.781
266 HA ILE 40 HA ILE 40 -2.956 7.048 0.000
267 HB ILE 40 HB ILE 40 -0.129 6.031 0.044
268 1HG1 ILE 40 2HG1 ILE 40 -0.898 7.870 -1.795
269 2HG1 ILE 40 1HG1 ILE 40 0.261 6.592 -2.117
270 1HG2 ILE 40 1HG2 ILE 40 -1.348 4.149 0.121
271 2HG2 ILE 40 2HG2 ILE 40 -1.533 4.426 -1.610
272 3HG2 ILE 40 3HG2 ILE 40 -2.800 4.936 -0.496
273 1HD1 ILE 40 1HD1 ILE 40 -1.319 5.294 -3.251
274 2HD1 ILE 40 2HD1 ILE 40 -1.554 6.944 -3.827
275 3HD1 ILE 40 3HD1 ILE 40 -2.665 6.256 -2.643
276 H GLU 41 H GLU 41 -3.734 5.826 1.625
277 HA GLU 41 HA GLU 41 -2.065 5.549 4.044
278 1HB GLU 41 2HB GLU 41 -4.431 7.052 3.843
279 2HB GLU 41 1HB GLU 41 -4.876 5.582 4.698
280 1HG GLU 41 2HG GLU 41 -2.970 6.006 6.255
281 2HG GLU 41 1HG GLU 41 -2.753 7.567 5.467
282 H LEU 42 H LEU 42 -3.411 3.894 5.588
283 HA LEU 42 HA LEU 42 -4.010 1.572 3.875
284 1HB LEU 42 2HB LEU 42 -2.044 1.831 5.895
285 2HB LEU 42 1HB LEU 42 -3.280 0.753 6.516
286 HG LEU 42 HG LEU 42 -1.487 -0.492 5.398
287 1HD1 LEU 42 1HD1 LEU 42 -3.505 -1.023 3.417
288 2HD1 LEU 42 2HD1 LEU 42 -4.229 -0.777 5.007
289 3HD1 LEU 42 3HD1 LEU 42 -2.985 -2.006 4.785
290 1HD2 LEU 42 1HD2 LEU 42 -1.352 -0.312 2.896
291 2HD2 LEU 42 2HD2 LEU 42 -0.698 1.062 3.789
292 3HD2 LEU 42 3HD2 LEU 42 -2.285 1.178 3.028
293 H VAL 43 H VAL 43 -5.743 0.294 4.370
294 HA VAL 43 HA VAL 43 -7.448 1.202 6.590
295 HB VAL 43 HB VAL 43 -9.018 0.083 4.451
296 1HG1 VAL 43 1HG1 VAL 43 -9.023 2.876 5.575
297 2HG1 VAL 43 2HG1 VAL 43 -9.775 1.491 6.368
298 3HG1 VAL 43 3HG1 VAL 43 -10.358 2.029 4.793
299 1HG2 VAL 43 1HG2 VAL 43 -7.097 2.252 3.723
300 2HG2 VAL 43 2HG2 VAL 43 -8.707 2.225 3.002
301 3HG2 VAL 43 3HG2 VAL 43 -7.620 0.854 2.783
302 H HIS 44 H HIS 44 -6.873 -1.445 4.295
303 HA HIS 44 HA HIS 44 -7.300 -3.354 6.477
304 1HB HIS 44 2HB HIS 44 -8.451 -4.289 3.957
305 2HB HIS 44 1HB HIS 44 -9.114 -4.344 5.588
306 HD1 HIS 44 1HD HIS 44 -10.312 -2.090 6.408
307 HD2 HIS 44 2HD HIS 44 -9.521 -2.360 2.341
308 HE1 HIS 44 1HE HIS 44 -11.703 -0.297 5.332
309 HE2 HIS 44 2HE HIS 44 -11.260 -0.519 2.863
310 H LYS 45 H LYS 45 -6.356 -5.428 6.135
311 HA LYS 45 HA LYS 45 -4.057 -5.308 4.336
312 1HB LYS 45 2HB LYS 45 -4.639 -7.374 6.459
313 2HB LYS 45 1HB LYS 45 -3.104 -7.072 5.659
314 1HG LYS 45 2HG LYS 45 -3.973 -4.653 6.875
315 2HG LYS 45 1HG LYS 45 -4.085 -5.957 8.059
316 1HD LYS 45 2HD LYS 45 -1.766 -6.568 7.627
317 2HD LYS 45 1HD LYS 45 -1.648 -5.302 6.403
318 1HE LYS 45 2HE LYS 45 -0.658 -4.441 8.379
319 2HE LYS 45 1HE LYS 45 -2.224 -3.651 8.208
320 1HZ LYS 45 1HZ LYS 45 -3.143 -5.196 9.821
321 2HZ LYS 45 2HZ LYS 45 -1.830 -4.359 10.483
322 3HZ LYS 45 3HZ LYS 45 -1.642 -5.964 9.980
323 H GLY 46 H GLY 46 -6.021 -5.630 2.685
324 1HA GLY 46 2HA GLY 46 -5.584 -8.077 1.415
325 2HA GLY 46 1HA GLY 46 -7.057 -8.242 2.358
326 H ARG 47 H ARG 47 -8.262 -8.524 0.440
327 HA ARG 47 HA ARG 47 -8.337 -6.395 -1.511
328 1HB ARG 47 2HB ARG 47 -10.507 -8.354 -1.610
329 2HB ARG 47 1HB ARG 47 -9.357 -7.886 -2.854
330 1HG ARG 47 2HG ARG 47 -7.661 -9.313 -1.650
331 2HG ARG 47 1HG ARG 47 -9.002 -9.926 -0.680
332 1HD ARG 47 2HD ARG 47 -9.924 -11.071 -2.429
333 2HD ARG 47 1HD ARG 47 -9.300 -9.947 -3.635
334 HE ARG 47 HE ARG 47 -7.094 -11.211 -2.588
335 1HH1 ARG 47 1HH1 ARG 47 -10.007 -12.177 -4.235
336 2HH1 ARG 47 2HH1 ARG 47 -9.284 -13.571 -4.964
337 1HH2 ARG 47 1HH2 ARG 47 -6.135 -13.044 -3.543
338 2HH2 ARG 47 2HH2 ARG 47 -7.083 -14.065 -4.570
339 H CYS 48 H CYS 48 -8.877 -5.068 0.628
340 HA CYS 48 HA CYS 48 -10.410 -3.919 1.890
341 1HB CYS 48 2HB CYS 48 -11.242 -3.825 -0.955
342 2HB CYS 48 1HB CYS 48 -12.374 -3.178 0.230
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 5.530 4.227 10.667
2 2H LYS 1 2HT LYS 1 6.575 5.226 11.593
3 3H LYS 1 3HT LYS 1 7.002 3.595 11.276
4 HA LYS 1 HA LYS 1 7.685 5.819 9.852
5 1HB LYS 1 2HB LYS 1 8.753 4.100 8.399
6 2HB LYS 1 1HB LYS 1 9.036 3.838 10.113
7 1HG LYS 1 2HG LYS 1 8.160 1.809 10.006
8 2HG LYS 1 1HG LYS 1 6.675 2.433 9.284
9 1HD LYS 1 2HD LYS 1 7.256 1.682 7.266
10 2HD LYS 1 1HD LYS 1 8.849 2.431 7.379
11 1HE LYS 1 2HE LYS 1 8.959 -0.021 7.099
12 2HE LYS 1 1HE LYS 1 9.704 0.532 8.597
13 1HZ LYS 1 1HZ LYS 1 7.617 -1.315 8.263
14 2HZ LYS 1 2HZ LYS 1 7.022 0.007 9.134
15 3HZ LYS 1 3HZ LYS 1 8.378 -0.833 9.696
16 HA PRO 2 HA PRO 2 3.931 5.536 7.183
17 1HB PRO 2 2HB PRO 2 3.172 8.082 7.318
18 2HB PRO 2 1HB PRO 2 2.869 6.987 8.676
19 1HG PRO 2 2HG PRO 2 5.089 8.973 8.313
20 2HG PRO 2 1HG PRO 2 4.058 8.709 9.731
21 1HD PRO 2 2HD PRO 2 6.565 7.659 9.479
22 2HD PRO 2 1HD PRO 2 5.276 6.892 10.431
23 H ASP 3 H ASP 3 6.638 5.685 6.344
24 HA ASP 3 HA ASP 3 6.295 7.282 3.924
25 1HB ASP 3 2HB ASP 3 8.827 7.865 4.182
26 2HB ASP 3 1HB ASP 3 7.626 8.821 5.044
27 H CYS 4 H CYS 4 8.100 6.760 2.316
28 HA CYS 4 HA CYS 4 8.027 4.303 1.336
29 1HB CYS 4 2HB CYS 4 10.263 6.278 1.398
30 2HB CYS 4 1HB CYS 4 10.579 4.683 0.724
31 HA PRO 5 HA PRO 5 9.944 1.582 4.273
32 1HB PRO 5 2HB PRO 5 9.644 -0.698 2.954
33 2HB PRO 5 1HB PRO 5 8.225 0.227 3.465
34 1HG PRO 5 2HG PRO 5 9.494 0.043 0.763
35 2HG PRO 5 1HG PRO 5 7.777 0.070 1.193
36 1HD PRO 5 2HD PRO 5 9.273 2.267 0.339
37 2HD PRO 5 1HD PRO 5 7.715 2.348 1.179
38 H LEU 6 H LEU 6 11.371 -0.633 3.797
39 HA LEU 6 HA LEU 6 13.661 0.135 2.129
40 1HB LEU 6 2HB LEU 6 14.001 -1.095 4.854
41 2HB LEU 6 1HB LEU 6 15.236 -0.407 3.818
42 HG LEU 6 HG LEU 6 13.040 1.267 5.011
43 1HD1 LEU 6 1HD1 LEU 6 14.318 1.721 6.896
44 2HD1 LEU 6 2HD1 LEU 6 15.789 1.065 6.179
45 3HD1 LEU 6 3HD1 LEU 6 14.501 -0.022 6.698
46 1HD2 LEU 6 1HD2 LEU 6 14.379 2.095 3.050
47 2HD2 LEU 6 2HD2 LEU 6 15.800 2.041 4.093
48 3HD2 LEU 6 3HD2 LEU 6 14.451 3.104 4.495
49 H ILE 7 H ILE 7 12.027 -1.523 1.017
50 HA ILE 7 HA ILE 7 11.913 -3.555 -0.005
51 HB ILE 7 HB ILE 7 14.463 -4.005 1.529
52 1HG1 ILE 7 2HG1 ILE 7 14.306 -4.171 -1.421
53 2HG1 ILE 7 1HG1 ILE 7 14.015 -2.580 -0.724
54 1HG2 ILE 7 1HG2 ILE 7 12.813 -5.952 0.006
55 2HG2 ILE 7 2HG2 ILE 7 13.806 -6.191 1.444
56 3HG2 ILE 7 3HG2 ILE 7 14.568 -6.041 -0.139
57 1HD1 ILE 7 1HD1 ILE 7 16.199 -3.020 0.582
58 2HD1 ILE 7 2HD1 ILE 7 16.285 -2.567 -1.121
59 3HD1 ILE 7 3HD1 ILE 7 16.483 -4.254 -0.645
60 H CYS 8 H CYS 8 10.015 -4.300 0.811
61 HA CYS 8 HA CYS 8 9.943 -5.499 3.451
62 1HB CYS 8 2HB CYS 8 8.062 -4.156 1.866
63 2HB CYS 8 1HB CYS 8 7.485 -5.809 2.025
64 H THR 9 H THR 9 8.259 -6.687 0.584
65 HA THR 9 HA THR 9 9.737 -9.192 0.727
66 HB THR 9 HB THR 9 7.992 -9.673 2.266
67 HG1 THR 9 1HG THR 9 7.883 -11.468 1.193
68 1HG2 THR 9 1HG2 THR 9 5.812 -9.077 2.146
69 2HG2 THR 9 2HG2 THR 9 5.782 -9.102 0.383
70 3HG2 THR 9 3HG2 THR 9 6.514 -7.741 1.233
71 H MET 10 H MET 10 7.238 -7.284 -0.863
72 HA MET 10 HA MET 10 6.629 -7.072 -3.038
73 1HB MET 10 2HB MET 10 8.352 -6.798 -4.464
74 2HB MET 10 1HB MET 10 9.353 -7.110 -3.056
75 1HG MET 10 2HG MET 10 9.141 -9.596 -3.789
76 2HG MET 10 1HG MET 10 8.695 -8.904 -5.346
77 1HE MET 10 1HE MET 10 11.257 -8.139 -2.474
78 2HE MET 10 2HE MET 10 12.779 -8.555 -3.262
79 3HE MET 10 3HE MET 10 11.583 -9.810 -2.935
80 H GLN 11 H GLN 11 6.511 -9.775 -1.455
81 HA GLN 11 HA GLN 11 6.210 -11.671 -3.618
82 1HB GLN 11 2HB GLN 11 7.082 -12.184 -1.250
83 2HB GLN 11 1HB GLN 11 5.395 -12.142 -0.762
84 1HG GLN 11 2HG GLN 11 5.764 -14.383 -1.143
85 2HG GLN 11 1HG GLN 11 5.033 -13.848 -2.656
86 1HE2 GLN 11 1HE2 GLN 11 6.667 -16.156 -2.256
87 2HE2 GLN 11 2HE2 GLN 11 8.073 -15.967 -3.243
88 H TYR 12 H TYR 12 3.962 -11.029 -0.933
89 HA TYR 12 HA TYR 12 1.906 -9.988 -2.493
90 1HB TYR 12 2HB TYR 12 2.247 -12.763 -2.852
91 2HB TYR 12 1HB TYR 12 0.800 -12.546 -1.880
92 HD1 TYR 12 1HD TYR 12 -0.718 -13.317 -3.596
93 HD2 TYR 12 2HD TYR 12 1.910 -10.053 -4.344
94 HE1 TYR 12 1HE TYR 12 -1.994 -12.759 -5.621
95 HE2 TYR 12 2HE TYR 12 0.638 -9.487 -6.370
96 HH TYR 12 HH TYR 12 -0.864 -10.681 -7.993
97 H ASP 13 H ASP 13 1.495 -8.690 -0.854
98 HA ASP 13 HA ASP 13 0.031 -9.803 1.417
99 1HB ASP 13 2HB ASP 13 2.585 -8.968 1.825
100 2HB ASP 13 1HB ASP 13 1.731 -7.439 2.011
101 HA PRO 14 HA PRO 14 -1.684 -6.336 -1.408
102 1HB PRO 14 2HB PRO 14 -4.137 -7.724 -1.434
103 2HB PRO 14 1HB PRO 14 -2.952 -7.643 -2.740
104 1HG PRO 14 2HG PRO 14 -3.337 -9.740 -0.656
105 2HG PRO 14 1HG PRO 14 -2.876 -9.919 -2.360
106 1HD PRO 14 2HD PRO 14 -1.047 -10.166 -0.453
107 2HD PRO 14 1HD PRO 14 -0.660 -9.279 -1.946
108 H VAL 15 H VAL 15 -1.996 -4.701 -0.034
109 HA VAL 15 HA VAL 15 -4.099 -4.975 1.996
110 HB VAL 15 HB VAL 15 -2.947 -3.229 3.257
111 1HG1 VAL 15 1HG1 VAL 15 -2.085 -5.881 2.938
112 2HG1 VAL 15 2HG1 VAL 15 -1.860 -4.834 4.339
113 3HG1 VAL 15 3HG1 VAL 15 -0.630 -4.893 3.076
114 1HG2 VAL 15 1HG2 VAL 15 -1.864 -2.270 1.147
115 2HG2 VAL 15 2HG2 VAL 15 -0.598 -3.465 1.424
116 3HG2 VAL 15 3HG2 VAL 15 -0.939 -2.240 2.645
117 H CYS 16 H CYS 16 -5.680 -3.540 1.996
118 HA CYS 16 HA CYS 16 -5.969 -1.858 -0.307
119 1HB CYS 16 2HB CYS 16 -7.671 -3.145 1.516
120 2HB CYS 16 1HB CYS 16 -7.968 -1.430 1.675
121 H GLY 17 H GLY 17 -5.253 0.148 -0.446
122 1HA GLY 17 2HA GLY 17 -4.620 1.563 2.044
123 2HA GLY 17 1HA GLY 17 -3.892 1.883 0.481
124 H SER 18 H SER 18 -5.431 3.447 2.574
125 HA SER 18 HA SER 18 -7.871 4.329 1.724
126 1HB SER 18 2HB SER 18 -6.584 5.062 3.798
127 2HB SER 18 1HB SER 18 -5.728 6.194 2.751
128 HG SER 18 HG SER 18 -8.549 6.094 3.038
129 H ASP 19 H ASP 19 -8.129 4.382 -0.363
130 HA ASP 19 HA ASP 19 -7.844 6.648 -1.855
131 1HB ASP 19 2HB ASP 19 -5.318 5.595 -1.619
132 2HB ASP 19 1HB ASP 19 -5.869 4.863 -3.122
133 H GLY 20 H GLY 20 -7.931 3.198 -1.661
134 1HA GLY 20 2HA GLY 20 -9.832 2.018 -2.531
135 2HA GLY 20 1HA GLY 20 -9.847 3.140 -3.886
136 H ILE 21 H ILE 21 -6.920 1.650 -2.587
137 HA ILE 21 HA ILE 21 -6.874 -0.110 -4.947
138 HB ILE 21 HB ILE 21 -4.736 1.861 -4.188
139 1HG1 ILE 21 2HG1 ILE 21 -6.534 2.628 -5.699
140 2HG1 ILE 21 1HG1 ILE 21 -4.967 2.590 -6.501
141 1HG2 ILE 21 1HG2 ILE 21 -3.421 -0.005 -4.569
142 2HG2 ILE 21 2HG2 ILE 21 -3.507 0.728 -6.171
143 3HG2 ILE 21 3HG2 ILE 21 -4.522 -0.660 -5.781
144 1HD1 ILE 21 1HD1 ILE 21 -6.521 1.729 -8.039
145 2HD1 ILE 21 2HD1 ILE 21 -7.265 0.689 -6.825
146 3HD1 ILE 21 3HD1 ILE 21 -5.641 0.335 -7.414
147 H THR 22 H THR 22 -6.124 -2.085 -4.618
148 HA THR 22 HA THR 22 -5.138 -2.786 -1.967
149 HB THR 22 HB THR 22 -5.857 -4.529 -4.336
150 HG1 THR 22 1HG THR 22 -7.749 -3.844 -3.604
151 1HG2 THR 22 1HG2 THR 22 -5.423 -5.380 -1.487
152 2HG2 THR 22 2HG2 THR 22 -4.237 -5.584 -2.778
153 3HG2 THR 22 3HG2 THR 22 -5.795 -6.406 -2.872
154 H TYR 23 H TYR 23 -3.052 -2.154 -1.848
155 HA TYR 23 HA TYR 23 -1.223 -2.494 -4.019
156 1HB TYR 23 2HB TYR 23 -0.685 -1.681 -1.163
157 2HB TYR 23 1HB TYR 23 0.374 -1.440 -2.546
158 HD1 TYR 23 1HD TYR 23 -2.616 -0.281 -0.822
159 HD2 TYR 23 2HD TYR 23 -0.242 0.182 -4.323
160 HE1 TYR 23 1HE TYR 23 -3.805 1.808 -1.342
161 HE2 TYR 23 2HE TYR 23 -1.417 2.281 -4.841
162 HH TYR 23 HH TYR 23 -4.216 3.322 -3.020
163 H GLY 24 H GLY 24 0.254 -3.963 -4.354
164 1HA GLY 24 2HA GLY 24 0.138 -6.538 -3.629
165 2HA GLY 24 1HA GLY 24 1.675 -5.757 -3.982
166 H ASN 25 H ASN 25 1.468 -3.958 -1.745
167 HA ASN 25 HA ASN 25 1.264 -5.470 0.646
168 1HB ASN 25 2HB ASN 25 4.071 -4.703 -0.174
169 2HB ASN 25 1HB ASN 25 3.597 -5.490 1.322
170 1HD2 ASN 25 1HD2 ASN 25 4.910 -5.981 -1.637
171 2HD2 ASN 25 2HD2 ASN 25 4.592 -7.669 -1.816
172 H ALA 26 H ALA 26 1.399 -4.208 2.502
173 HA ALA 26 HA ALA 26 0.701 -1.527 2.279
174 1HB ALA 26 1HB ALA 26 0.574 -1.521 4.551
175 2HB ALA 26 2HB ALA 26 2.122 -2.343 4.747
176 3HB ALA 26 3HB ALA 26 0.682 -3.265 4.315
177 H CYS 27 H CYS 27 3.769 -3.092 2.311
178 HA CYS 27 HA CYS 27 5.340 -0.754 2.848
179 1HB CYS 27 2HB CYS 27 5.866 -3.562 2.016
180 2HB CYS 27 1HB CYS 27 7.104 -2.364 1.652
181 H MET 28 H MET 28 4.242 -2.528 0.020
182 HA MET 28 HA MET 28 5.687 -1.111 -1.924
183 1HB MET 28 2HB MET 28 2.934 -2.353 -2.155
184 2HB MET 28 1HB MET 28 4.012 -1.971 -3.492
185 1HG MET 28 2HG MET 28 5.417 -3.623 -1.651
186 2HG MET 28 1HG MET 28 3.847 -4.355 -1.977
187 1HE MET 28 1HE MET 28 7.191 -4.569 -2.645
188 2HE MET 28 2HE MET 28 7.321 -3.206 -3.755
189 3HE MET 28 3HE MET 28 7.477 -4.856 -4.361
190 H LEU 29 H LEU 29 3.041 -0.294 0.065
191 HA LEU 29 HA LEU 29 2.022 1.826 -1.550
192 1HB LEU 29 2HB LEU 29 1.374 0.554 0.961
193 2HB LEU 29 1HB LEU 29 1.304 2.302 1.113
194 HG LEU 29 HG LEU 29 -0.332 0.495 -0.604
195 1HD1 LEU 29 1HD1 LEU 29 -0.723 2.008 1.753
196 2HD1 LEU 29 2HD1 LEU 29 -1.886 1.007 0.881
197 3HD1 LEU 29 3HD1 LEU 29 -1.716 2.716 0.478
198 1HD2 LEU 29 1HD2 LEU 29 -1.158 2.852 -1.502
199 2HD2 LEU 29 2HD2 LEU 29 0.140 1.955 -2.291
200 3HD2 LEU 29 3HD2 LEU 29 0.524 3.266 -1.188
201 H LEU 30 H LEU 30 3.931 1.689 1.437
202 HA LEU 30 HA LEU 30 4.366 4.381 1.789
203 1HB LEU 30 2HB LEU 30 6.273 2.087 2.263
204 2HB LEU 30 1HB LEU 30 6.556 3.719 2.834
205 HG LEU 30 HG LEU 30 4.023 2.346 3.607
206 1HD1 LEU 30 1HD1 LEU 30 5.474 0.613 4.177
207 2HD1 LEU 30 2HD1 LEU 30 5.332 1.554 5.662
208 3HD1 LEU 30 3HD1 LEU 30 6.764 1.721 4.646
209 1HD2 LEU 30 1HD2 LEU 30 3.840 4.206 4.802
210 2HD2 LEU 30 2HD2 LEU 30 5.445 4.733 4.294
211 3HD2 LEU 30 3HD2 LEU 30 5.261 3.719 5.725
212 H GLY 31 H GLY 31 5.664 2.210 -0.590
213 1HA GLY 31 2HA GLY 31 7.731 4.014 -1.476
214 2HA GLY 31 1HA GLY 31 7.185 2.561 -2.306
215 H ALA 32 H ALA 32 4.400 3.332 -2.226
216 HA ALA 32 HA ALA 32 4.355 4.927 -4.618
217 1HB ALA 32 1HB ALA 32 2.573 3.115 -3.250
218 2HB ALA 32 2HB ALA 32 2.633 3.566 -4.954
219 3HB ALA 32 3HB ALA 32 1.731 4.560 -3.808
220 H SER 33 H SER 33 2.915 5.296 -1.373
221 HA SER 33 HA SER 33 1.807 7.828 -1.824
222 1HB SER 33 2HB SER 33 1.115 7.699 0.327
223 2HB SER 33 1HB SER 33 1.703 6.041 0.216
224 HG SER 33 HG SER 33 2.880 6.654 1.858
225 H CYS 34 H CYS 34 5.059 6.900 -0.890
226 HA CYS 34 HA CYS 34 5.745 9.660 -0.279
227 1HB CYS 34 2HB CYS 34 7.175 8.687 1.115
228 2HB CYS 34 1HB CYS 34 6.780 7.112 0.461
229 H ARG 35 H ARG 35 6.005 7.514 -3.005
230 HA ARG 35 HA ARG 35 7.783 9.484 -4.291
231 1HB ARG 35 2HB ARG 35 7.460 6.533 -4.767
232 2HB ARG 35 1HB ARG 35 8.254 7.587 -5.928
233 1HG ARG 35 2HG ARG 35 10.026 8.042 -4.499
234 2HG ARG 35 1HG ARG 35 9.130 7.527 -3.068
235 1HD ARG 35 2HD ARG 35 9.957 5.481 -3.263
236 2HD ARG 35 1HD ARG 35 9.281 5.339 -4.884
237 HE ARG 35 HE ARG 35 11.449 6.661 -5.478
238 1HH1 ARG 35 1HH1 ARG 35 11.126 4.078 -3.150
239 2HH1 ARG 35 2HH1 ARG 35 12.770 3.562 -3.312
240 1HH2 ARG 35 1HH2 ARG 35 13.607 5.978 -5.694
241 2HH2 ARG 35 2HH2 ARG 35 14.177 4.636 -4.761
242 H SER 36 H SER 36 4.646 8.983 -4.107
243 HA SER 36 HA SER 36 4.112 9.159 -6.977
244 1HB SER 36 2HB SER 36 2.845 7.499 -5.693
245 2HB SER 36 1HB SER 36 2.197 8.772 -4.668
246 HG SER 36 HG SER 36 1.697 8.277 -7.402
247 H ASP 37 H ASP 37 1.865 10.541 -4.708
248 HA ASP 37 HA ASP 37 2.806 13.233 -4.971
249 1HB ASP 37 2HB ASP 37 1.865 13.079 -7.169
250 2HB ASP 37 1HB ASP 37 0.401 12.319 -6.554
251 H THR 38 H THR 38 0.133 11.066 -4.207
252 HA THR 38 HA THR 38 -0.665 12.886 -2.037
253 HB THR 38 HB THR 38 -2.689 11.071 -2.174
254 HG1 THR 38 1HG THR 38 -2.554 10.066 -3.996
255 1HG2 THR 38 1HG2 THR 38 -3.036 13.169 -4.165
256 2HG2 THR 38 2HG2 THR 38 -2.464 13.751 -2.603
257 3HG2 THR 38 3HG2 THR 38 -3.958 12.821 -2.703
258 HA PRO 39 HA PRO 39 1.000 9.853 0.736
259 1HB PRO 39 2HB PRO 39 0.066 10.905 3.042
260 2HB PRO 39 1HB PRO 39 1.402 11.630 2.140
261 1HG PRO 39 2HG PRO 39 -1.489 12.406 2.195
262 2HG PRO 39 1HG PRO 39 -0.051 13.443 2.236
263 1HD PRO 39 2HD PRO 39 -1.502 13.006 -0.023
264 2HD PRO 39 1HD PRO 39 0.241 13.341 -0.041
265 H ILE 40 H ILE 40 -0.672 8.382 -0.359
266 HA ILE 40 HA ILE 40 -3.214 7.915 0.595
267 HB ILE 40 HB ILE 40 -3.012 5.672 -0.251
268 1HG1 ILE 40 2HG1 ILE 40 -0.300 5.953 0.590
269 2HG1 ILE 40 1HG1 ILE 40 -1.125 4.502 0.034
270 1HG2 ILE 40 1HG2 ILE 40 -3.290 7.233 -1.979
271 2HG2 ILE 40 2HG2 ILE 40 -1.975 6.190 -2.520
272 3HG2 ILE 40 3HG2 ILE 40 -1.619 7.786 -1.861
273 1HD1 ILE 40 1HD1 ILE 40 -0.454 4.888 -2.209
274 2HD1 ILE 40 2HD1 ILE 40 0.972 5.068 -1.187
275 3HD1 ILE 40 3HD1 ILE 40 0.152 6.496 -1.815
276 H GLU 41 H GLU 41 -3.854 5.863 1.868
277 HA GLU 41 HA GLU 41 -2.036 5.480 4.155
278 1HB GLU 41 2HB GLU 41 -5.002 5.832 4.520
279 2HB GLU 41 1HB GLU 41 -3.752 5.819 5.754
280 1HG GLU 41 2HG GLU 41 -2.968 7.895 4.163
281 2HG GLU 41 1HG GLU 41 -4.726 8.007 4.091
282 H LEU 42 H LEU 42 -3.301 3.760 5.701
283 HA LEU 42 HA LEU 42 -4.058 1.519 3.944
284 1HB LEU 42 2HB LEU 42 -1.851 1.688 5.718
285 2HB LEU 42 1HB LEU 42 -2.999 0.564 6.422
286 HG LEU 42 HG LEU 42 -1.329 -0.577 5.019
287 1HD1 LEU 42 1HD1 LEU 42 -4.156 -0.823 4.871
288 2HD1 LEU 42 2HD1 LEU 42 -2.925 -2.077 4.728
289 3HD1 LEU 42 3HD1 LEU 42 -3.472 -1.208 3.293
290 1HD2 LEU 42 1HD2 LEU 42 -2.496 0.353 2.500
291 2HD2 LEU 42 2HD2 LEU 42 -0.814 0.028 2.920
292 3HD2 LEU 42 3HD2 LEU 42 -1.553 1.569 3.359
293 H VAL 43 H VAL 43 -5.906 0.492 4.425
294 HA VAL 43 HA VAL 43 -7.231 1.209 6.958
295 HB VAL 43 HB VAL 43 -8.745 0.350 4.514
296 1HG1 VAL 43 1HG1 VAL 43 -10.542 1.642 5.578
297 2HG1 VAL 43 2HG1 VAL 43 -9.457 2.038 6.911
298 3HG1 VAL 43 3HG1 VAL 43 -9.936 0.364 6.631
299 1HG2 VAL 43 1HG2 VAL 43 -9.058 2.707 3.923
300 2HG2 VAL 43 2HG2 VAL 43 -7.364 2.229 3.807
301 3HG2 VAL 43 3HG2 VAL 43 -7.922 3.173 5.188
302 H HIS 44 H HIS 44 -6.665 -1.347 4.598
303 HA HIS 44 HA HIS 44 -7.066 -3.325 6.702
304 1HB HIS 44 2HB HIS 44 -8.273 -4.304 4.263
305 2HB HIS 44 1HB HIS 44 -8.949 -4.227 5.887
306 HD1 HIS 44 1HD HIS 44 -10.087 -1.863 6.526
307 HD2 HIS 44 2HD HIS 44 -9.355 -2.529 2.493
308 HE1 HIS 44 1HE HIS 44 -11.499 -0.185 5.300
309 HE2 HIS 44 2HE HIS 44 -11.019 -0.585 2.860
310 H LYS 45 H LYS 45 -5.929 -5.261 6.365
311 HA LYS 45 HA LYS 45 -3.833 -5.040 4.340
312 1HB LYS 45 2HB LYS 45 -3.164 -7.253 5.766
313 2HB LYS 45 1HB LYS 45 -2.641 -5.623 6.161
314 1HG LYS 45 2HG LYS 45 -4.403 -5.394 7.780
315 2HG LYS 45 1HG LYS 45 -5.086 -6.952 7.310
316 1HD LYS 45 2HD LYS 45 -2.404 -7.468 7.910
317 2HD LYS 45 1HD LYS 45 -2.962 -6.367 9.172
318 1HE LYS 45 2HE LYS 45 -4.049 -8.027 10.167
319 2HE LYS 45 1HE LYS 45 -4.988 -8.313 8.702
320 1HZ LYS 45 1HZ LYS 45 -3.319 -9.803 7.905
321 2HZ LYS 45 2HZ LYS 45 -3.729 -10.273 9.477
322 3HZ LYS 45 3HZ LYS 45 -2.285 -9.438 9.194
323 H GLY 46 H GLY 46 -5.935 -5.559 2.937
324 1HA GLY 46 2HA GLY 46 -5.453 -8.106 1.797
325 2HA GLY 46 1HA GLY 46 -6.929 -8.149 2.750
326 H ARG 47 H ARG 47 -8.124 -8.559 0.842
327 HA ARG 47 HA ARG 47 -8.160 -6.529 -1.229
328 1HB ARG 47 2HB ARG 47 -10.277 -8.543 -1.320
329 2HB ARG 47 1HB ARG 47 -9.080 -8.114 -2.534
330 1HG ARG 47 2HG ARG 47 -7.410 -9.453 -1.247
331 2HG ARG 47 1HG ARG 47 -8.736 -10.002 -0.219
332 1HD ARG 47 2HD ARG 47 -8.795 -10.302 -3.209
333 2HD ARG 47 1HD ARG 47 -8.051 -11.509 -2.163
334 HE ARG 47 HE ARG 47 -10.548 -11.147 -1.119
335 1HH1 ARG 47 1HH1 ARG 47 -9.279 -12.006 -4.246
336 2HH1 ARG 47 2HH1 ARG 47 -10.654 -12.962 -4.687
337 1HH2 ARG 47 1HH2 ARG 47 -12.366 -12.407 -1.690
338 2HH2 ARG 47 2HH2 ARG 47 -12.409 -13.188 -3.235
339 H CYS 48 H CYS 48 -8.794 -5.149 0.867
340 HA CYS 48 HA CYS 48 -10.388 -3.985 2.031
341 1HB CYS 48 2HB CYS 48 -11.054 -3.966 -0.840
342 2HB CYS 48 1HB CYS 48 -12.343 -3.428 0.232
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 5.026 5.874 6.431
2 2H LYS 1 2HT LYS 1 5.786 6.669 7.748
3 3H LYS 1 3HT LYS 1 6.152 5.028 7.406
4 HA LYS 1 HA LYS 1 7.426 7.288 6.507
5 1HB LYS 1 2HB LYS 1 7.603 4.365 5.743
6 2HB LYS 1 1HB LYS 1 8.828 5.568 5.367
7 1HG LYS 1 2HG LYS 1 8.176 5.576 8.181
8 2HG LYS 1 1HG LYS 1 8.687 3.977 7.634
9 1HD LYS 1 2HD LYS 1 10.805 4.643 7.610
10 2HD LYS 1 1HD LYS 1 10.405 5.925 6.465
11 1HE LYS 1 2HE LYS 1 9.862 6.260 9.391
12 2HE LYS 1 1HE LYS 1 11.473 6.548 8.739
13 1HZ LYS 1 1HZ LYS 1 10.803 8.399 7.647
14 2HZ LYS 1 2HZ LYS 1 9.666 8.444 8.898
15 3HZ LYS 1 3HZ LYS 1 9.231 7.833 7.382
16 HA PRO 2 HA PRO 2 5.037 7.709 2.676
17 1HB PRO 2 2HB PRO 2 5.281 10.342 2.418
18 2HB PRO 2 1HB PRO 2 4.249 9.668 3.688
19 1HG PRO 2 2HG PRO 2 7.058 10.701 3.886
20 2HG PRO 2 1HG PRO 2 5.676 11.028 4.947
21 1HD PRO 2 2HD PRO 2 7.613 9.161 5.487
22 2HD PRO 2 1HD PRO 2 5.952 9.069 6.106
23 H ASP 3 H ASP 3 7.736 6.793 2.750
24 HA ASP 3 HA ASP 3 8.819 8.176 0.387
25 1HB ASP 3 2HB ASP 3 11.088 7.665 1.180
26 2HB ASP 3 1HB ASP 3 10.218 8.665 2.340
27 H CYS 4 H CYS 4 9.870 6.879 -1.165
28 HA CYS 4 HA CYS 4 8.794 4.211 -1.361
29 1HB CYS 4 2HB CYS 4 10.639 5.753 -3.202
30 2HB CYS 4 1HB CYS 4 9.911 4.196 -3.580
31 HA PRO 5 HA PRO 5 12.520 2.360 0.240
32 1HB PRO 5 2HB PRO 5 11.531 -0.095 0.580
33 2HB PRO 5 1HB PRO 5 10.984 1.257 1.579
34 1HG PRO 5 2HG PRO 5 9.616 -0.101 -0.683
35 2HG PRO 5 1HG PRO 5 8.924 0.649 0.765
36 1HD PRO 5 2HD PRO 5 9.121 1.793 -1.817
37 2HD PRO 5 1HD PRO 5 8.644 2.617 -0.321
38 H LEU 6 H LEU 6 13.807 0.339 -0.240
39 HA LEU 6 HA LEU 6 13.870 -0.136 -3.140
40 1HB LEU 6 2HB LEU 6 16.266 -0.908 -2.603
41 2HB LEU 6 1HB LEU 6 15.927 0.812 -2.603
42 HG LEU 6 HG LEU 6 15.651 -0.506 0.019
43 1HD1 LEU 6 1HD1 LEU 6 18.118 -0.479 0.370
44 2HD1 LEU 6 2HD1 LEU 6 18.314 -0.289 -1.371
45 3HD1 LEU 6 3HD1 LEU 6 17.557 -1.743 -0.723
46 1HD2 LEU 6 1HD2 LEU 6 17.118 1.965 -0.897
47 2HD2 LEU 6 2HD2 LEU 6 16.750 1.516 0.768
48 3HD2 LEU 6 3HD2 LEU 6 15.443 1.924 -0.346
49 H ILE 7 H ILE 7 12.158 -1.690 -2.700
50 HA ILE 7 HA ILE 7 11.468 -3.863 -2.739
51 HB ILE 7 HB ILE 7 14.378 -4.444 -2.215
52 1HG1 ILE 7 2HG1 ILE 7 14.036 -5.551 -4.533
53 2HG1 ILE 7 1HG1 ILE 7 12.562 -4.590 -4.607
54 1HG2 ILE 7 1HG2 ILE 7 13.619 -6.843 -2.808
55 2HG2 ILE 7 2HG2 ILE 7 12.025 -6.287 -2.294
56 3HG2 ILE 7 3HG2 ILE 7 13.378 -6.251 -1.164
57 1HD1 ILE 7 1HD1 ILE 7 13.680 -2.718 -5.065
58 2HD1 ILE 7 2HD1 ILE 7 15.026 -3.790 -5.453
59 3HD1 ILE 7 3HD1 ILE 7 14.919 -3.050 -3.857
60 H CYS 8 H CYS 8 10.527 -5.198 -1.197
61 HA CYS 8 HA CYS 8 11.452 -4.826 1.545
62 1HB CYS 8 2HB CYS 8 9.171 -3.636 0.499
63 2HB CYS 8 1HB CYS 8 8.589 -4.933 1.511
64 H THR 9 H THR 9 8.439 -6.517 1.038
65 HA THR 9 HA THR 9 9.514 -9.093 0.679
66 HB THR 9 HB THR 9 10.373 -8.519 2.977
67 HG1 THR 9 1HG THR 9 10.128 -10.555 3.563
68 1HG2 THR 9 1HG2 THR 9 8.970 -7.556 4.394
69 2HG2 THR 9 2HG2 THR 9 8.201 -9.135 4.559
70 3HG2 THR 9 3HG2 THR 9 7.573 -7.963 3.399
71 H MET 10 H MET 10 7.526 -10.194 2.708
72 HA MET 10 HA MET 10 5.491 -11.182 2.342
73 1HB MET 10 2HB MET 10 5.290 -8.601 3.389
74 2HB MET 10 1HB MET 10 4.008 -8.714 2.189
75 1HG MET 10 2HG MET 10 2.889 -10.340 3.340
76 2HG MET 10 1HG MET 10 4.347 -10.938 4.128
77 1HE MET 10 1HE MET 10 4.467 -7.025 4.756
78 2HE MET 10 2HE MET 10 2.767 -6.799 5.166
79 3HE MET 10 3HE MET 10 3.217 -7.442 3.586
80 H GLN 11 H GLN 11 6.933 -10.808 0.050
81 HA GLN 11 HA GLN 11 6.587 -9.964 -2.229
82 1HB GLN 11 2HB GLN 11 7.261 -12.235 -2.134
83 2HB GLN 11 1HB GLN 11 5.659 -12.760 -1.634
84 1HG GLN 11 2HG GLN 11 5.481 -11.387 -4.138
85 2HG GLN 11 1HG GLN 11 6.709 -12.649 -4.232
86 1HE2 GLN 11 1HE2 GLN 11 4.232 -12.610 -5.625
87 2HE2 GLN 11 2HE2 GLN 11 3.314 -13.973 -5.092
88 H TYR 12 H TYR 12 3.727 -11.814 -1.229
89 HA TYR 12 HA TYR 12 2.108 -9.837 -2.688
90 1HB TYR 12 2HB TYR 12 2.279 -12.636 -3.142
91 2HB TYR 12 1HB TYR 12 0.680 -12.277 -2.493
92 HD1 TYR 12 1HD TYR 12 1.655 -13.157 -5.384
93 HD2 TYR 12 2HD TYR 12 0.428 -9.478 -3.634
94 HE1 TYR 12 1HE TYR 12 0.936 -12.351 -7.593
95 HE2 TYR 12 2HE TYR 12 -0.298 -8.662 -5.837
96 HH TYR 12 HH TYR 12 0.573 -10.165 -8.727
97 H ASP 13 H ASP 13 1.812 -8.670 -0.801
98 HA ASP 13 HA ASP 13 -0.130 -9.848 1.068
99 1HB ASP 13 2HB ASP 13 2.264 -9.259 1.958
100 2HB ASP 13 1HB ASP 13 1.689 -7.597 1.881
101 HA PRO 14 HA PRO 14 -1.683 -6.308 -1.635
102 1HB PRO 14 2HB PRO 14 -4.203 -7.551 -1.684
103 2HB PRO 14 1HB PRO 14 -2.996 -7.573 -2.973
104 1HG PRO 14 2HG PRO 14 -3.550 -9.601 -0.855
105 2HG PRO 14 1HG PRO 14 -3.080 -9.842 -2.548
106 1HD PRO 14 2HD PRO 14 -1.304 -10.166 -0.591
107 2HD PRO 14 1HD PRO 14 -0.832 -9.375 -2.113
108 H VAL 15 H VAL 15 -1.818 -4.705 -0.191
109 HA VAL 15 HA VAL 15 -3.997 -4.810 1.777
110 HB VAL 15 HB VAL 15 -2.665 -3.203 3.091
111 1HG1 VAL 15 1HG1 VAL 15 -0.638 -5.231 2.952
112 2HG1 VAL 15 2HG1 VAL 15 -2.242 -5.951 2.818
113 3HG1 VAL 15 3HG1 VAL 15 -1.842 -4.940 4.207
114 1HG2 VAL 15 1HG2 VAL 15 -0.744 -3.563 0.835
115 2HG2 VAL 15 2HG2 VAL 15 -0.165 -3.132 2.444
116 3HG2 VAL 15 3HG2 VAL 15 -1.297 -2.075 1.602
117 H CYS 16 H CYS 16 -5.571 -3.476 1.397
118 HA CYS 16 HA CYS 16 -5.374 -1.498 -0.669
119 1HB CYS 16 2HB CYS 16 -7.431 -2.930 0.668
120 2HB CYS 16 1HB CYS 16 -7.744 -1.220 0.833
121 H GLY 17 H GLY 17 -4.929 0.616 -0.424
122 1HA GLY 17 2HA GLY 17 -4.742 1.572 2.347
123 2HA GLY 17 1HA GLY 17 -3.742 2.148 1.029
124 H SER 18 H SER 18 -5.486 3.471 2.991
125 HA SER 18 HA SER 18 -7.823 4.496 1.984
126 1HB SER 18 2HB SER 18 -6.406 4.943 4.238
127 2HB SER 18 1HB SER 18 -6.039 6.428 3.361
128 HG SER 18 HG SER 18 -7.983 7.095 3.764
129 H ASP 19 H ASP 19 -7.828 4.852 -0.087
130 HA ASP 19 HA ASP 19 -7.324 7.302 -1.187
131 1HB ASP 19 2HB ASP 19 -5.281 7.274 -2.265
132 2HB ASP 19 1HB ASP 19 -4.869 6.346 -0.831
133 H GLY 20 H GLY 20 -7.583 3.869 -1.525
134 1HA GLY 20 2HA GLY 20 -9.445 2.967 -2.761
135 2HA GLY 20 1HA GLY 20 -9.208 4.247 -3.945
136 H ILE 21 H ILE 21 -6.559 2.442 -2.497
137 HA ILE 21 HA ILE 21 -6.247 1.017 -5.063
138 HB ILE 21 HB ILE 21 -4.082 2.501 -3.592
139 1HG1 ILE 21 2HG1 ILE 21 -5.710 3.784 -5.082
140 2HG1 ILE 21 1HG1 ILE 21 -3.997 3.969 -5.442
141 1HG2 ILE 21 1HG2 ILE 21 -3.977 0.318 -5.548
142 2HG2 ILE 21 2HG2 ILE 21 -2.770 0.861 -4.383
143 3HG2 ILE 21 3HG2 ILE 21 -2.950 1.703 -5.921
144 1HD1 ILE 21 1HD1 ILE 21 -6.138 2.683 -7.013
145 2HD1 ILE 21 2HD1 ILE 21 -4.536 1.950 -7.085
146 3HD1 ILE 21 3HD1 ILE 21 -4.755 3.640 -7.540
147 H THR 22 H THR 22 -5.340 -0.977 -5.024
148 HA THR 22 HA THR 22 -4.951 -2.194 -2.375
149 HB THR 22 HB THR 22 -5.510 -3.484 -5.058
150 HG1 THR 22 1HG THR 22 -7.533 -3.488 -4.475
151 1HG2 THR 22 1HG2 THR 22 -5.984 -5.512 -3.657
152 2HG2 THR 22 2HG2 THR 22 -5.153 -4.692 -2.335
153 3HG2 THR 22 3HG2 THR 22 -4.284 -5.074 -3.821
154 H TYR 23 H TYR 23 -2.836 -1.814 -1.923
155 HA TYR 23 HA TYR 23 -0.797 -2.056 -3.927
156 1HB TYR 23 2HB TYR 23 -0.445 -1.697 -0.949
157 2HB TYR 23 1HB TYR 23 0.688 -1.282 -2.228
158 HD1 TYR 23 1HD TYR 23 -2.423 -0.325 -0.551
159 HD2 TYR 23 2HD TYR 23 0.334 0.686 -3.629
160 HE1 TYR 23 1HE TYR 23 -3.485 1.882 -0.767
161 HE2 TYR 23 2HE TYR 23 -0.710 2.904 -3.841
162 HH TYR 23 HH TYR 23 -3.181 3.995 -1.610
163 H GLY 24 H GLY 24 0.749 -3.565 -4.133
164 1HA GLY 24 2HA GLY 24 0.136 -6.228 -3.523
165 2HA GLY 24 1HA GLY 24 1.706 -5.653 -4.062
166 H ASN 25 H ASN 25 1.416 -3.842 -1.511
167 HA ASN 25 HA ASN 25 1.520 -5.441 0.740
168 1HB ASN 25 2HB ASN 25 3.472 -6.464 -0.409
169 2HB ASN 25 1HB ASN 25 4.258 -4.894 -0.400
170 1HD2 ASN 25 1HD2 ASN 25 5.120 -7.410 0.768
171 2HD2 ASN 25 2HD2 ASN 25 5.352 -7.090 2.447
172 H ALA 26 H ALA 26 2.014 -4.289 2.616
173 HA ALA 26 HA ALA 26 1.433 -1.584 2.621
174 1HB ALA 26 1HB ALA 26 1.242 -2.297 4.751
175 2HB ALA 26 2HB ALA 26 2.930 -1.802 4.880
176 3HB ALA 26 3HB ALA 26 2.527 -3.491 4.573
177 H CYS 27 H CYS 27 4.447 -3.250 2.153
178 HA CYS 27 HA CYS 27 6.107 -0.919 2.407
179 1HB CYS 27 2HB CYS 27 6.485 -3.757 1.628
180 2HB CYS 27 1HB CYS 27 7.660 -2.597 1.023
181 H MET 28 H MET 28 4.605 -2.728 -0.217
182 HA MET 28 HA MET 28 5.840 -1.278 -2.310
183 1HB MET 28 2HB MET 28 3.235 -2.810 -2.175
184 2HB MET 28 1HB MET 28 3.886 -2.127 -3.662
185 1HG MET 28 2HG MET 28 6.025 -3.496 -2.959
186 2HG MET 28 1HG MET 28 4.849 -4.436 -2.050
187 1HE MET 28 1HE MET 28 6.791 -4.099 -4.896
188 2HE MET 28 2HE MET 28 5.657 -3.311 -5.992
189 3HE MET 28 3HE MET 28 6.048 -5.017 -6.207
190 H LEU 29 H LEU 29 3.509 -0.559 0.031
191 HA LEU 29 HA LEU 29 2.059 1.455 -1.323
192 1HB LEU 29 2HB LEU 29 2.020 0.177 1.203
193 2HB LEU 29 1HB LEU 29 2.134 1.907 1.487
194 HG LEU 29 HG LEU 29 0.012 0.423 -0.016
195 1HD1 LEU 29 1HD1 LEU 29 -0.633 2.440 2.012
196 2HD1 LEU 29 2HD1 LEU 29 0.189 1.001 2.613
197 3HD1 LEU 29 3HD1 LEU 29 -1.331 0.846 1.730
198 1HD2 LEU 29 1HD2 LEU 29 -0.943 2.759 -0.345
199 2HD2 LEU 29 2HD2 LEU 29 0.414 2.301 -1.371
200 3HD2 LEU 29 3HD2 LEU 29 0.674 3.344 0.020
201 H LEU 30 H LEU 30 4.629 1.602 1.150
202 HA LEU 30 HA LEU 30 4.959 4.344 1.211
203 1HB LEU 30 2HB LEU 30 7.572 3.124 1.143
204 2HB LEU 30 1HB LEU 30 6.751 3.913 2.472
205 HG LEU 30 HG LEU 30 6.301 1.039 1.719
206 1HD1 LEU 30 1HD1 LEU 30 7.762 1.529 4.171
207 2HD1 LEU 30 2HD1 LEU 30 8.631 2.095 2.745
208 3HD1 LEU 30 3HD1 LEU 30 8.110 0.414 2.850
209 1HD2 LEU 30 1HD2 LEU 30 5.353 2.847 3.885
210 2HD2 LEU 30 2HD2 LEU 30 5.612 1.142 4.255
211 3HD2 LEU 30 3HD2 LEU 30 4.477 1.607 2.989
212 H GLY 31 H GLY 31 5.891 2.027 -1.215
213 1HA GLY 31 2HA GLY 31 7.555 3.805 -2.727
214 2HA GLY 31 1HA GLY 31 6.856 2.292 -3.299
215 H ALA 32 H ALA 32 4.166 3.057 -2.575
216 HA ALA 32 HA ALA 32 3.480 4.504 -4.971
217 1HB ALA 32 1HB ALA 32 2.235 2.600 -3.306
218 2HB ALA 32 2HB ALA 32 1.649 3.266 -4.830
219 3HB ALA 32 3HB ALA 32 1.220 4.042 -3.305
220 H SER 33 H SER 33 2.782 4.943 -1.500
221 HA SER 33 HA SER 33 1.511 7.366 -1.561
222 1HB SER 33 2HB SER 33 2.360 5.739 0.419
223 2HB SER 33 1HB SER 33 3.542 7.037 0.581
224 HG SER 33 HG SER 33 1.274 8.250 0.307
225 H CYS 34 H CYS 34 4.955 6.694 -1.725
226 HA CYS 34 HA CYS 34 5.668 9.489 -1.682
227 1HB CYS 34 2HB CYS 34 7.575 8.596 -0.948
228 2HB CYS 34 1HB CYS 34 7.022 6.984 -1.366
229 H ARG 35 H ARG 35 5.071 7.071 -4.140
230 HA ARG 35 HA ARG 35 6.245 8.688 -6.234
231 1HB ARG 35 2HB ARG 35 5.926 6.896 -7.651
232 2HB ARG 35 1HB ARG 35 6.111 6.094 -6.098
233 1HG ARG 35 2HG ARG 35 3.595 6.074 -5.944
234 2HG ARG 35 1HG ARG 35 3.576 6.597 -7.630
235 1HD ARG 35 2HD ARG 35 4.661 4.036 -6.487
236 2HD ARG 35 1HD ARG 35 3.362 4.239 -7.664
237 HE ARG 35 HE ARG 35 5.529 5.330 -8.886
238 1HH1 ARG 35 1HH1 ARG 35 4.860 2.239 -7.431
239 2HH1 ARG 35 2HH1 ARG 35 5.966 1.377 -8.449
240 1HH2 ARG 35 1HH2 ARG 35 6.983 4.206 -10.230
241 2HH2 ARG 35 2HH2 ARG 35 7.174 2.496 -10.038
242 H SER 36 H SER 36 3.166 8.422 -4.740
243 HA SER 36 HA SER 36 1.691 9.388 -7.021
244 1HB SER 36 2HB SER 36 0.585 7.884 -5.469
245 2HB SER 36 1HB SER 36 0.880 8.993 -4.132
246 HG SER 36 HG SER 36 -0.413 10.151 -6.253
247 H ASP 37 H ASP 37 1.038 10.821 -3.926
248 HA ASP 37 HA ASP 37 2.489 13.186 -4.105
249 1HB ASP 37 2HB ASP 37 0.659 14.726 -4.885
250 2HB ASP 37 1HB ASP 37 1.334 13.692 -6.142
251 H THR 38 H THR 38 -0.463 11.567 -3.166
252 HA THR 38 HA THR 38 -0.583 13.233 -0.742
253 HB THR 38 HB THR 38 -2.927 11.649 -0.972
254 HG1 THR 38 1HG THR 38 -2.362 11.521 -3.215
255 1HG2 THR 38 1HG2 THR 38 -3.667 13.566 -0.161
256 2HG2 THR 38 2HG2 THR 38 -3.583 14.221 -1.797
257 3HG2 THR 38 3HG2 THR 38 -2.220 14.419 -0.697
258 HA PRO 39 HA PRO 39 1.032 9.703 1.423
259 1HB PRO 39 2HB PRO 39 -0.155 11.081 3.765
260 2HB PRO 39 1HB PRO 39 1.508 10.551 3.490
261 1HG PRO 39 2HG PRO 39 0.851 13.135 3.370
262 2HG PRO 39 1HG PRO 39 2.048 12.438 2.262
263 1HD PRO 39 2HD PRO 39 -0.811 13.154 1.761
264 2HD PRO 39 1HD PRO 39 0.601 13.341 0.701
265 H ILE 40 H ILE 40 -0.555 8.208 0.545
266 HA ILE 40 HA ILE 40 -3.153 7.954 1.646
267 HB ILE 40 HB ILE 40 -3.407 6.056 0.346
268 1HG1 ILE 40 2HG1 ILE 40 -1.456 4.836 1.430
269 2HG1 ILE 40 1HG1 ILE 40 -1.726 4.487 -0.272
270 1HG2 ILE 40 1HG2 ILE 40 -3.084 7.107 -1.573
271 2HG2 ILE 40 2HG2 ILE 40 -1.359 6.744 -1.507
272 3HG2 ILE 40 3HG2 ILE 40 -1.979 8.218 -0.762
273 1HD1 ILE 40 1HD1 ILE 40 0.056 6.655 -0.166
274 2HD1 ILE 40 2HD1 ILE 40 0.377 5.004 -0.678
275 3HD1 ILE 40 3HD1 ILE 40 0.616 5.466 1.008
276 H GLU 41 H GLU 41 -3.755 5.675 2.679
277 HA GLU 41 HA GLU 41 -1.705 4.946 4.663
278 1HB GLU 41 2HB GLU 41 -4.563 5.531 5.440
279 2HB GLU 41 1HB GLU 41 -3.225 5.143 6.512
280 1HG GLU 41 2HG GLU 41 -2.117 7.256 5.691
281 2HG GLU 41 1HG GLU 41 -3.658 7.658 4.933
282 H LEU 42 H LEU 42 -2.847 3.110 6.159
283 HA LEU 42 HA LEU 42 -3.719 1.078 4.226
284 1HB LEU 42 2HB LEU 42 -1.876 1.026 6.376
285 2HB LEU 42 1HB LEU 42 -3.216 -0.011 6.826
286 HG LEU 42 HG LEU 42 -1.332 -1.193 5.686
287 1HD1 LEU 42 1HD1 LEU 42 -3.528 -1.570 3.794
288 2HD1 LEU 42 2HD1 LEU 42 -4.014 -1.605 5.489
289 3HD1 LEU 42 3HD1 LEU 42 -2.773 -2.713 4.904
290 1HD2 LEU 42 1HD2 LEU 42 -0.438 -0.282 3.875
291 2HD2 LEU 42 2HD2 LEU 42 -1.723 0.924 3.794
292 3HD2 LEU 42 3HD2 LEU 42 -1.931 -0.641 3.007
293 H VAL 43 H VAL 43 -5.639 -0.022 4.449
294 HA VAL 43 HA VAL 43 -7.289 0.655 6.781
295 HB VAL 43 HB VAL 43 -7.980 2.141 4.987
296 1HG1 VAL 43 1HG1 VAL 43 -9.013 1.165 2.931
297 2HG1 VAL 43 2HG1 VAL 43 -8.347 -0.395 3.412
298 3HG1 VAL 43 3HG1 VAL 43 -7.266 0.950 3.053
299 1HG2 VAL 43 1HG2 VAL 43 -9.755 1.565 6.397
300 2HG2 VAL 43 2HG2 VAL 43 -9.868 -0.066 5.735
301 3HG2 VAL 43 3HG2 VAL 43 -10.387 1.316 4.770
302 H HIS 44 H HIS 44 -6.898 -1.450 3.959
303 HA HIS 44 HA HIS 44 -8.093 -3.630 5.541
304 1HB HIS 44 2HB HIS 44 -8.250 -3.720 2.566
305 2HB HIS 44 1HB HIS 44 -9.351 -4.384 3.768
306 HD1 HIS 44 1HD HIS 44 -10.418 -2.128 5.267
307 HD2 HIS 44 2HD HIS 44 -9.507 -1.760 1.238
308 HE1 HIS 44 1HE HIS 44 -11.756 -0.165 4.453
309 HE2 HIS 44 2HE HIS 44 -11.146 0.078 2.023
310 H LYS 45 H LYS 45 -6.816 -5.332 5.838
311 HA LYS 45 HA LYS 45 -4.242 -5.424 4.509
312 1HB LYS 45 2HB LYS 45 -5.453 -7.088 6.721
313 2HB LYS 45 1HB LYS 45 -3.842 -7.360 6.071
314 1HG LYS 45 2HG LYS 45 -4.285 -4.596 6.849
315 2HG LYS 45 1HG LYS 45 -4.487 -5.729 8.186
316 1HD LYS 45 2HD LYS 45 -2.232 -6.699 7.061
317 2HD LYS 45 1HD LYS 45 -2.067 -4.986 6.674
318 1HE LYS 45 2HE LYS 45 -1.775 -4.386 8.836
319 2HE LYS 45 1HE LYS 45 -2.884 -5.618 9.438
320 1HZ LYS 45 1HZ LYS 45 -1.210 -7.268 9.242
321 2HZ LYS 45 2HZ LYS 45 -0.509 -5.957 10.047
322 3HZ LYS 45 3HZ LYS 45 -0.168 -6.224 8.413
323 H GLY 46 H GLY 46 -5.818 -5.812 2.504
324 1HA GLY 46 2HA GLY 46 -5.197 -8.330 1.476
325 2HA GLY 46 1HA GLY 46 -6.849 -8.399 2.075
326 H ARG 47 H ARG 47 -7.859 -8.582 0.112
327 HA ARG 47 HA ARG 47 -7.310 -6.605 -1.954
328 1HB ARG 47 2HB ARG 47 -9.333 -8.845 -2.006
329 2HB ARG 47 1HB ARG 47 -8.698 -7.946 -3.381
330 1HG ARG 47 2HG ARG 47 -6.520 -8.916 -3.075
331 2HG ARG 47 1HG ARG 47 -7.044 -9.712 -1.589
332 1HD ARG 47 2HD ARG 47 -8.726 -10.964 -2.931
333 2HD ARG 47 1HD ARG 47 -8.027 -10.254 -4.387
334 HE ARG 47 HE ARG 47 -6.030 -11.532 -2.836
335 1HH1 ARG 47 1HH1 ARG 47 -8.688 -12.188 -4.986
336 2HH1 ARG 47 2HH1 ARG 47 -8.041 -13.697 -5.536
337 1HH2 ARG 47 1HH2 ARG 47 -5.165 -13.511 -3.553
338 2HH2 ARG 47 2HH2 ARG 47 -6.034 -14.451 -4.720
339 H CYS 48 H CYS 48 -8.171 -5.121 -0.046
340 HA CYS 48 HA CYS 48 -9.772 -3.692 0.720
341 1HB CYS 48 2HB CYS 48 -10.051 -3.947 -2.156
342 2HB CYS 48 1HB CYS 48 -11.571 -3.487 -1.396
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 3.681 9.593 9.274
2 2H LYS 1 2HT LYS 1 4.586 11.047 9.382
3 3H LYS 1 3HT LYS 1 5.393 9.536 9.280
4 HA LYS 1 HA LYS 1 3.576 9.953 7.146
5 1HB LYS 1 2HB LYS 1 5.106 11.664 6.067
6 2HB LYS 1 1HB LYS 1 4.082 12.264 7.365
7 1HG LYS 1 2HG LYS 1 5.885 13.079 8.351
8 2HG LYS 1 1HG LYS 1 6.467 11.428 8.582
9 1HD LYS 1 2HD LYS 1 8.226 12.329 7.415
10 2HD LYS 1 1HD LYS 1 7.249 11.703 6.086
11 1HE LYS 1 2HE LYS 1 6.320 14.311 6.689
12 2HE LYS 1 1HE LYS 1 8.078 14.382 6.585
13 1HZ LYS 1 1HZ LYS 1 6.699 14.682 4.458
14 2HZ LYS 1 2HZ LYS 1 6.514 13.001 4.504
15 3HZ LYS 1 3HZ LYS 1 8.060 13.677 4.398
16 HA PRO 2 HA PRO 2 6.548 6.515 6.594
17 1HB PRO 2 2HB PRO 2 4.737 6.298 4.227
18 2HB PRO 2 1HB PRO 2 5.339 5.030 5.303
19 1HG PRO 2 2HG PRO 2 2.845 5.921 5.535
20 2HG PRO 2 1HG PRO 2 3.809 5.537 6.974
21 1HD PRO 2 2HD PRO 2 3.074 8.192 5.837
22 2HD PRO 2 1HD PRO 2 3.297 7.709 7.531
23 H ASP 3 H ASP 3 7.340 5.737 4.181
24 HA ASP 3 HA ASP 3 7.864 7.836 2.334
25 1HB ASP 3 2HB ASP 3 10.159 8.265 2.725
26 2HB ASP 3 1HB ASP 3 9.392 8.386 4.305
27 H CYS 4 H CYS 4 9.482 7.112 0.642
28 HA CYS 4 HA CYS 4 8.790 4.522 -0.241
29 1HB CYS 4 2HB CYS 4 10.903 6.468 -1.168
30 2HB CYS 4 1HB CYS 4 10.598 4.935 -1.974
31 HA PRO 5 HA PRO 5 11.954 2.314 1.992
32 1HB PRO 5 2HB PRO 5 11.061 -0.148 1.495
33 2HB PRO 5 1HB PRO 5 10.154 0.956 2.539
34 1HG PRO 5 2HG PRO 5 9.656 0.191 -0.303
35 2HG PRO 5 1HG PRO 5 8.494 0.484 1.000
36 1HD PRO 5 2HD PRO 5 9.211 2.310 -0.988
37 2HD PRO 5 1HD PRO 5 8.395 2.708 0.536
38 H LEU 6 H LEU 6 13.120 0.067 1.379
39 HA LEU 6 HA LEU 6 14.235 0.409 -1.330
40 1HB LEU 6 2HB LEU 6 15.518 0.447 1.217
41 2HB LEU 6 1HB LEU 6 16.048 -0.990 0.366
42 HG LEU 6 HG LEU 6 16.132 1.348 -1.351
43 1HD1 LEU 6 1HD1 LEU 6 16.518 2.575 0.695
44 2HD1 LEU 6 2HD1 LEU 6 18.027 2.433 -0.207
45 3HD1 LEU 6 3HD1 LEU 6 17.740 1.407 1.198
46 1HD2 LEU 6 1HD2 LEU 6 18.534 -0.162 -0.463
47 2HD2 LEU 6 2HD2 LEU 6 18.076 0.390 -2.074
48 3HD2 LEU 6 3HD2 LEU 6 17.295 -1.026 -1.372
49 H ILE 7 H ILE 7 12.220 -1.125 -1.551
50 HA ILE 7 HA ILE 7 11.510 -3.195 -2.197
51 HB ILE 7 HB ILE 7 14.448 -3.797 -1.910
52 1HG1 ILE 7 2HG1 ILE 7 12.547 -3.493 -4.234
53 2HG1 ILE 7 1HG1 ILE 7 13.930 -2.479 -3.838
54 1HG2 ILE 7 1HG2 ILE 7 13.278 -5.836 -1.324
55 2HG2 ILE 7 2HG2 ILE 7 14.006 -5.996 -2.922
56 3HG2 ILE 7 3HG2 ILE 7 12.275 -5.703 -2.767
57 1HD1 ILE 7 1HD1 ILE 7 15.063 -3.687 -5.311
58 2HD1 ILE 7 2HD1 ILE 7 13.796 -4.911 -5.394
59 3HD1 ILE 7 3HD1 ILE 7 15.023 -4.996 -4.130
60 H CYS 8 H CYS 8 10.131 -3.778 -0.606
61 HA CYS 8 HA CYS 8 11.077 -4.564 1.981
62 1HB CYS 8 2HB CYS 8 8.664 -3.624 0.962
63 2HB CYS 8 1HB CYS 8 8.329 -5.233 1.573
64 H THR 9 H THR 9 8.669 -6.399 0.160
65 HA THR 9 HA THR 9 10.375 -8.697 -0.052
66 HB THR 9 HB THR 9 9.799 -8.740 2.349
67 HG1 THR 9 1HG THR 9 10.041 -10.765 1.844
68 1HG2 THR 9 1HG2 THR 9 7.639 -7.722 2.400
69 2HG2 THR 9 2HG2 THR 9 7.500 -9.374 3.001
70 3HG2 THR 9 3HG2 THR 9 6.969 -8.983 1.366
71 H MET 10 H MET 10 9.268 -10.577 -0.956
72 HA MET 10 HA MET 10 7.104 -9.731 -2.741
73 1HB MET 10 2HB MET 10 9.219 -11.847 -2.866
74 2HB MET 10 1HB MET 10 7.743 -12.055 -3.798
75 1HG MET 10 2HG MET 10 8.831 -9.411 -4.153
76 2HG MET 10 1HG MET 10 10.020 -10.652 -4.542
77 1HE MET 10 1HE MET 10 6.973 -8.904 -7.018
78 2HE MET 10 2HE MET 10 8.704 -8.799 -7.338
79 3HE MET 10 3HE MET 10 8.072 -8.350 -5.755
80 H GLN 11 H GLN 11 6.791 -10.499 0.108
81 HA GLN 11 HA GLN 11 5.411 -13.038 0.047
82 1HB GLN 11 2HB GLN 11 6.143 -11.048 2.142
83 2HB GLN 11 1HB GLN 11 4.771 -12.100 2.462
84 1HG GLN 11 2HG GLN 11 6.177 -14.058 2.114
85 2HG GLN 11 1HG GLN 11 7.554 -13.013 1.767
86 1HE2 GLN 11 1HE2 GLN 11 8.911 -12.950 3.397
87 2HE2 GLN 11 2HE2 GLN 11 8.498 -12.936 5.073
88 H TYR 12 H TYR 12 4.132 -11.958 -1.765
89 HA TYR 12 HA TYR 12 2.371 -10.114 -1.975
90 1HB TYR 12 2HB TYR 12 2.316 -12.820 -2.771
91 2HB TYR 12 1HB TYR 12 0.701 -12.425 -2.193
92 HD1 TYR 12 1HD TYR 12 3.237 -10.404 -4.055
93 HD2 TYR 12 2HD TYR 12 -0.667 -12.095 -4.019
94 HE1 TYR 12 1HE TYR 12 2.736 -9.279 -6.184
95 HE2 TYR 12 2HE TYR 12 -1.179 -10.976 -6.147
96 HH TYR 12 HH TYR 12 1.184 -8.838 -7.716
97 H ASP 13 H ASP 13 1.632 -8.971 -0.319
98 HA ASP 13 HA ASP 13 -0.486 -10.184 1.310
99 1HB ASP 13 2HB ASP 13 2.017 -9.270 2.308
100 2HB ASP 13 1HB ASP 13 0.802 -8.091 2.795
101 HA PRO 14 HA PRO 14 -1.551 -6.451 -1.341
102 1HB PRO 14 2HB PRO 14 -4.137 -7.510 -1.667
103 2HB PRO 14 1HB PRO 14 -2.820 -7.573 -2.842
104 1HG PRO 14 2HG PRO 14 -3.710 -9.629 -0.877
105 2HG PRO 14 1HG PRO 14 -3.087 -9.841 -2.524
106 1HD PRO 14 2HD PRO 14 -1.549 -10.357 -0.405
107 2HD PRO 14 1HD PRO 14 -0.870 -9.569 -1.847
108 H VAL 15 H VAL 15 -2.069 -4.713 -0.258
109 HA VAL 15 HA VAL 15 -4.195 -4.846 1.762
110 HB VAL 15 HB VAL 15 -2.893 -3.040 2.943
111 1HG1 VAL 15 1HG1 VAL 15 -2.269 -4.673 4.316
112 2HG1 VAL 15 2HG1 VAL 15 -1.004 -5.180 3.197
113 3HG1 VAL 15 3HG1 VAL 15 -2.636 -5.828 3.035
114 1HG2 VAL 15 1HG2 VAL 15 -0.620 -4.001 1.223
115 2HG2 VAL 15 2HG2 VAL 15 -0.552 -2.770 2.483
116 3HG2 VAL 15 3HG2 VAL 15 -1.461 -2.467 1.002
117 H CYS 16 H CYS 16 -5.719 -3.395 1.596
118 HA CYS 16 HA CYS 16 -5.738 -1.627 -0.658
119 1HB CYS 16 2HB CYS 16 -7.639 -2.850 1.042
120 2HB CYS 16 1HB CYS 16 -7.863 -1.122 1.151
121 H GLY 17 H GLY 17 -4.990 0.389 -0.666
122 1HA GLY 17 2HA GLY 17 -4.330 1.597 1.912
123 2HA GLY 17 1HA GLY 17 -3.616 2.025 0.369
124 H SER 18 H SER 18 -5.111 3.407 2.632
125 HA SER 18 HA SER 18 -7.515 4.447 1.837
126 1HB SER 18 2HB SER 18 -6.739 5.032 4.007
127 2HB SER 18 1HB SER 18 -5.231 5.687 3.372
128 HG SER 18 HG SER 18 -7.629 6.902 3.713
129 H ASP 19 H ASP 19 -7.709 4.763 -0.235
130 HA ASP 19 HA ASP 19 -7.273 7.184 -1.431
131 1HB ASP 19 2HB ASP 19 -4.919 6.923 -1.502
132 2HB ASP 19 1HB ASP 19 -5.039 5.223 -1.948
133 H GLY 20 H GLY 20 -7.547 3.739 -1.675
134 1HA GLY 20 2HA GLY 20 -9.520 2.830 -2.735
135 2HA GLY 20 1HA GLY 20 -9.356 4.070 -3.971
136 H ILE 21 H ILE 21 -6.624 2.239 -2.691
137 HA ILE 21 HA ILE 21 -6.595 0.682 -5.191
138 HB ILE 21 HB ILE 21 -4.270 2.270 -4.130
139 1HG1 ILE 21 2HG1 ILE 21 -6.200 3.379 -5.484
140 2HG1 ILE 21 1HG1 ILE 21 -4.531 3.714 -5.935
141 1HG2 ILE 21 1HG2 ILE 21 -3.737 -0.010 -5.093
142 2HG2 ILE 21 2HG2 ILE 21 -2.939 1.362 -5.861
143 3HG2 ILE 21 3HG2 ILE 21 -4.333 0.607 -6.635
144 1HD1 ILE 21 1HD1 ILE 21 -4.650 2.285 -7.801
145 2HD1 ILE 21 2HD1 ILE 21 -6.130 3.242 -7.820
146 3HD1 ILE 21 3HD1 ILE 21 -6.166 1.572 -7.254
147 H THR 22 H THR 22 -6.096 -1.388 -4.939
148 HA THR 22 HA THR 22 -5.181 -2.327 -2.331
149 HB THR 22 HB THR 22 -6.170 -3.805 -4.781
150 HG1 THR 22 1HG THR 22 -7.777 -4.375 -2.999
151 1HG2 THR 22 1HG2 THR 22 -4.846 -4.812 -2.358
152 2HG2 THR 22 2HG2 THR 22 -5.014 -5.542 -3.955
153 3HG2 THR 22 3HG2 THR 22 -6.348 -5.622 -2.804
154 H TYR 23 H TYR 23 -3.044 -1.975 -2.172
155 HA TYR 23 HA TYR 23 -1.259 -2.313 -4.379
156 1HB TYR 23 2HB TYR 23 -0.636 -1.850 -1.459
157 2HB TYR 23 1HB TYR 23 0.436 -1.565 -2.824
158 HD1 TYR 23 1HD TYR 23 -2.660 -0.444 -1.163
159 HD2 TYR 23 2HD TYR 23 0.219 0.425 -4.174
160 HE1 TYR 23 1HE TYR 23 -3.642 1.792 -1.444
161 HE2 TYR 23 2HE TYR 23 -0.750 2.672 -4.453
162 HH TYR 23 HH TYR 23 -2.341 4.086 -3.826
163 H GLY 24 H GLY 24 0.728 -3.594 -4.206
164 1HA GLY 24 2HA GLY 24 0.084 -6.339 -3.808
165 2HA GLY 24 1HA GLY 24 1.669 -5.697 -4.222
166 H ASN 25 H ASN 25 1.365 -3.897 -1.785
167 HA ASN 25 HA ASN 25 1.257 -5.492 0.502
168 1HB ASN 25 2HB ASN 25 3.919 -5.251 -0.816
169 2HB ASN 25 1HB ASN 25 3.858 -5.178 0.941
170 1HD2 ASN 25 1HD2 ASN 25 5.110 -7.181 -0.637
171 2HD2 ASN 25 2HD2 ASN 25 4.325 -8.680 -0.289
172 H ALA 26 H ALA 26 1.538 -4.313 2.400
173 HA ALA 26 HA ALA 26 0.931 -1.613 2.327
174 1HB ALA 26 1HB ALA 26 2.350 -3.053 4.570
175 2HB ALA 26 2HB ALA 26 0.608 -3.079 4.295
176 3HB ALA 26 3HB ALA 26 1.415 -1.563 4.698
177 H CYS 27 H CYS 27 3.955 -3.232 2.055
178 HA CYS 27 HA CYS 27 5.619 -0.969 2.648
179 1HB CYS 27 2HB CYS 27 6.090 -3.693 1.473
180 2HB CYS 27 1HB CYS 27 7.337 -2.459 1.402
181 H MET 28 H MET 28 4.275 -2.517 -0.194
182 HA MET 28 HA MET 28 5.705 -0.961 -2.083
183 1HB MET 28 2HB MET 28 3.140 -2.551 -2.252
184 2HB MET 28 1HB MET 28 3.912 -1.801 -3.645
185 1HG MET 28 2HG MET 28 5.996 -3.181 -2.605
186 2HG MET 28 1HG MET 28 4.652 -4.219 -2.141
187 1HE MET 28 1HE MET 28 6.627 -5.403 -3.427
188 2HE MET 28 2HE MET 28 6.787 -5.455 -5.183
189 3HE MET 28 3HE MET 28 5.556 -6.430 -4.381
190 H LEU 29 H LEU 29 3.089 -0.385 0.005
191 HA LEU 29 HA LEU 29 1.816 1.684 -1.464
192 1HB LEU 29 2HB LEU 29 1.403 0.278 0.959
193 2HB LEU 29 1HB LEU 29 1.445 1.992 1.339
194 HG LEU 29 HG LEU 29 -0.420 0.527 -0.474
195 1HD1 LEU 29 1HD1 LEU 29 -1.668 2.491 1.104
196 2HD1 LEU 29 2HD1 LEU 29 -0.530 1.641 2.149
197 3HD1 LEU 29 3HD1 LEU 29 -1.766 0.739 1.270
198 1HD2 LEU 29 1HD2 LEU 29 -1.285 2.916 -0.944
199 2HD2 LEU 29 2HD2 LEU 29 0.100 2.312 -1.854
200 3HD2 LEU 29 3HD2 LEU 29 0.346 3.416 -0.504
201 H LEU 30 H LEU 30 3.803 1.776 1.497
202 HA LEU 30 HA LEU 30 4.100 4.509 1.647
203 1HB LEU 30 2HB LEU 30 6.573 3.726 2.446
204 2HB LEU 30 1HB LEU 30 5.143 3.698 3.462
205 HG LEU 30 HG LEU 30 5.564 1.275 1.854
206 1HD1 LEU 30 1HD1 LEU 30 7.258 0.447 3.528
207 2HD1 LEU 30 2HD1 LEU 30 7.504 2.134 3.978
208 3HD1 LEU 30 3HD1 LEU 30 7.851 1.602 2.334
209 1HD2 LEU 30 1HD2 LEU 30 3.802 1.664 3.607
210 2HD2 LEU 30 2HD2 LEU 30 5.096 1.627 4.803
211 3HD2 LEU 30 3HD2 LEU 30 4.768 0.205 3.816
212 H GLY 31 H GLY 31 5.570 2.234 -0.536
213 1HA GLY 31 2HA GLY 31 7.559 4.062 -1.536
214 2HA GLY 31 1HA GLY 31 7.080 2.535 -2.271
215 H ALA 32 H ALA 32 4.251 3.298 -2.206
216 HA ALA 32 HA ALA 32 4.179 4.721 -4.721
217 1HB ALA 32 1HB ALA 32 1.728 4.228 -4.580
218 2HB ALA 32 2HB ALA 32 2.046 3.415 -3.048
219 3HB ALA 32 3HB ALA 32 2.771 2.806 -4.537
220 H SER 33 H SER 33 2.685 5.130 -1.512
221 HA SER 33 HA SER 33 1.459 7.576 -1.967
222 1HB SER 33 2HB SER 33 0.785 7.175 0.127
223 2HB SER 33 1HB SER 33 1.984 5.894 0.274
224 HG SER 33 HG SER 33 2.203 7.586 1.851
225 H CYS 34 H CYS 34 4.807 6.857 -1.150
226 HA CYS 34 HA CYS 34 5.479 9.601 -0.649
227 1HB CYS 34 2HB CYS 34 7.123 8.497 0.405
228 2HB CYS 34 1HB CYS 34 6.811 7.029 -0.502
229 H ARG 35 H ARG 35 5.969 7.380 -3.372
230 HA ARG 35 HA ARG 35 7.139 9.503 -4.969
231 1HB ARG 35 2HB ARG 35 7.676 7.852 -6.555
232 2HB ARG 35 1HB ARG 35 7.893 7.070 -4.994
233 1HG ARG 35 2HG ARG 35 5.559 6.145 -5.280
234 2HG ARG 35 1HG ARG 35 5.642 6.714 -6.949
235 1HD ARG 35 2HD ARG 35 7.363 4.653 -5.595
236 2HD ARG 35 1HD ARG 35 6.302 4.441 -6.986
237 HE ARG 35 HE ARG 35 8.455 6.321 -7.384
238 1HH1 ARG 35 1HH1 ARG 35 7.420 3.005 -7.634
239 2HH1 ARG 35 2HH1 ARG 35 8.605 2.590 -8.828
240 1HH2 ARG 35 1HH2 ARG 35 10.020 5.782 -8.955
241 2HH2 ARG 35 2HH2 ARG 35 10.078 4.168 -9.580
242 H SER 36 H SER 36 4.097 9.082 -4.128
243 HA SER 36 HA SER 36 2.936 9.326 -6.796
244 1HB SER 36 2HB SER 36 1.895 7.753 -5.226
245 2HB SER 36 1HB SER 36 1.579 9.066 -4.103
246 HG SER 36 HG SER 36 -0.184 9.390 -5.183
247 H ASP 37 H ASP 37 1.435 10.850 -4.043
248 HA ASP 37 HA ASP 37 2.404 13.448 -4.288
249 1HB ASP 37 2HB ASP 37 0.912 14.565 -5.710
250 2HB ASP 37 1HB ASP 37 1.287 13.088 -6.593
251 H THR 38 H THR 38 -0.331 11.352 -3.662
252 HA THR 38 HA THR 38 -1.246 13.152 -1.532
253 HB THR 38 HB THR 38 -3.065 11.068 -1.671
254 HG1 THR 38 1HG THR 38 -2.633 10.199 -3.546
255 1HG2 THR 38 1HG2 THR 38 -3.100 13.755 -3.007
256 2HG2 THR 38 2HG2 THR 38 -3.822 13.296 -1.466
257 3HG2 THR 38 3HG2 THR 38 -4.486 12.666 -2.973
258 HA PRO 39 HA PRO 39 0.455 10.492 1.541
259 1HB PRO 39 2HB PRO 39 -1.136 11.127 3.640
260 2HB PRO 39 1HB PRO 39 0.106 12.219 3.016
261 1HG PRO 39 2HG PRO 39 -2.845 12.209 2.494
262 2HG PRO 39 1HG PRO 39 -1.778 13.582 2.847
263 1HD PRO 39 2HD PRO 39 -2.573 12.976 0.335
264 2HD PRO 39 1HD PRO 39 -0.980 13.679 0.683
265 H ILE 40 H ILE 40 -0.394 8.599 0.297
266 HA ILE 40 HA ILE 40 -2.904 7.440 0.896
267 HB ILE 40 HB ILE 40 -0.497 5.817 0.128
268 1HG1 ILE 40 2HG1 ILE 40 -2.101 7.688 -1.618
269 2HG1 ILE 40 1HG1 ILE 40 -0.360 7.700 -1.345
270 1HG2 ILE 40 1HG2 ILE 40 -2.438 4.516 0.506
271 2HG2 ILE 40 2HG2 ILE 40 -2.255 4.647 -1.244
272 3HG2 ILE 40 3HG2 ILE 40 -3.450 5.637 -0.407
273 1HD1 ILE 40 1HD1 ILE 40 -1.333 6.723 -3.541
274 2HD1 ILE 40 2HD1 ILE 40 -1.645 5.298 -2.548
275 3HD1 ILE 40 3HD1 ILE 40 0.002 5.905 -2.727
276 H GLU 41 H GLU 41 -3.424 5.690 2.267
277 HA GLU 41 HA GLU 41 -1.406 5.015 4.305
278 1HB GLU 41 2HB GLU 41 -4.092 6.244 4.773
279 2HB GLU 41 1HB GLU 41 -3.442 5.123 5.961
280 1HG GLU 41 2HG GLU 41 -1.876 6.573 6.677
281 2HG GLU 41 1HG GLU 41 -1.609 7.247 5.070
282 H LEU 42 H LEU 42 -2.629 3.325 5.911
283 HA LEU 42 HA LEU 42 -3.616 1.225 4.103
284 1HB LEU 42 2HB LEU 42 -1.605 1.187 6.091
285 2HB LEU 42 1HB LEU 42 -2.931 0.208 6.692
286 HG LEU 42 HG LEU 42 -1.238 -1.111 5.456
287 1HD1 LEU 42 1HD1 LEU 42 -3.951 -1.326 5.382
288 2HD1 LEU 42 2HD1 LEU 42 -2.819 -2.530 4.767
289 3HD1 LEU 42 3HD1 LEU 42 -3.536 -1.350 3.668
290 1HD2 LEU 42 1HD2 LEU 42 -0.686 -0.753 3.267
291 2HD2 LEU 42 2HD2 LEU 42 -0.957 0.908 3.794
292 3HD2 LEU 42 3HD2 LEU 42 -2.213 0.049 2.902
293 H VAL 43 H VAL 43 -5.579 0.344 4.382
294 HA VAL 43 HA VAL 43 -7.081 1.128 6.791
295 HB VAL 43 HB VAL 43 -9.040 0.644 4.953
296 1HG1 VAL 43 1HG1 VAL 43 -8.370 3.415 4.833
297 2HG1 VAL 43 2HG1 VAL 43 -8.039 2.810 6.456
298 3HG1 VAL 43 3HG1 VAL 43 -9.646 2.622 5.756
299 1HG2 VAL 43 1HG2 VAL 43 -8.508 1.779 2.903
300 2HG2 VAL 43 2HG2 VAL 43 -7.321 0.501 3.163
301 3HG2 VAL 43 3HG2 VAL 43 -6.895 2.180 3.494
302 H HIS 44 H HIS 44 -6.760 -1.280 4.214
303 HA HIS 44 HA HIS 44 -7.609 -3.329 6.143
304 1HB HIS 44 2HB HIS 44 -8.340 -3.868 3.341
305 2HB HIS 44 1HB HIS 44 -9.244 -4.171 4.822
306 HD1 HIS 44 1HD HIS 44 -10.247 -1.804 5.911
307 HD2 HIS 44 2HD HIS 44 -9.424 -1.913 1.844
308 HE1 HIS 44 1HE HIS 44 -11.556 0.092 4.910
309 HE2 HIS 44 2HE HIS 44 -11.108 -0.041 2.436
310 H LYS 45 H LYS 45 -6.466 -5.202 6.109
311 HA LYS 45 HA LYS 45 -4.063 -5.215 4.462
312 1HB LYS 45 2HB LYS 45 -4.716 -7.272 6.549
313 2HB LYS 45 1HB LYS 45 -3.139 -6.711 6.008
314 1HG LYS 45 2HG LYS 45 -4.295 -4.432 7.022
315 2HG LYS 45 1HG LYS 45 -4.859 -5.694 8.117
316 1HD LYS 45 2HD LYS 45 -2.677 -6.305 8.716
317 2HD LYS 45 1HD LYS 45 -1.970 -5.477 7.327
318 1HE LYS 45 2HE LYS 45 -1.678 -3.653 8.558
319 2HE LYS 45 1HE LYS 45 -3.414 -3.565 8.849
320 1HZ LYS 45 1HZ LYS 45 -1.850 -3.734 10.850
321 2HZ LYS 45 2HZ LYS 45 -1.708 -5.369 10.443
322 3HZ LYS 45 3HZ LYS 45 -3.222 -4.724 10.830
323 H GLY 46 H GLY 46 -5.926 -5.629 2.713
324 1HA GLY 46 2HA GLY 46 -5.418 -8.162 1.626
325 2HA GLY 46 1HA GLY 46 -6.982 -8.217 2.426
326 H ARG 47 H ARG 47 -7.994 -8.574 0.399
327 HA ARG 47 HA ARG 47 -7.790 -6.544 -1.648
328 1HB ARG 47 2HB ARG 47 -9.904 -8.660 -1.662
329 2HB ARG 47 1HB ARG 47 -9.008 -7.970 -3.009
330 1HG ARG 47 2HG ARG 47 -6.969 -9.148 -2.080
331 2HG ARG 47 1HG ARG 47 -8.079 -10.016 -1.018
332 1HD ARG 47 2HD ARG 47 -8.990 -10.031 -3.767
333 2HD ARG 47 1HD ARG 47 -7.368 -10.707 -3.616
334 HE ARG 47 HE ARG 47 -9.818 -11.872 -2.693
335 1HH1 ARG 47 1HH1 ARG 47 -6.379 -11.704 -2.169
336 2HH1 ARG 47 2HH1 ARG 47 -6.287 -13.260 -1.412
337 1HH2 ARG 47 1HH2 ARG 47 -9.708 -13.923 -1.700
338 2HH2 ARG 47 2HH2 ARG 47 -8.180 -14.521 -1.145
339 H CYS 48 H CYS 48 -8.507 -5.103 0.373
340 HA CYS 48 HA CYS 48 -10.087 -3.777 1.353
341 1HB CYS 48 2HB CYS 48 -10.592 -3.892 -1.517
342 2HB CYS 48 1HB CYS 48 -12.019 -3.438 -0.593
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 14.619 10.990 2.932
2 2H LYS 1 2HT LYS 1 13.729 10.296 4.224
3 3H LYS 1 3HT LYS 1 13.318 11.856 3.637
4 HA LYS 1 HA LYS 1 12.415 11.067 1.733
5 1HB LYS 1 2HB LYS 1 14.396 8.953 2.177
6 2HB LYS 1 1HB LYS 1 12.870 8.353 1.540
7 1HG LYS 1 2HG LYS 1 13.034 9.729 -0.385
8 2HG LYS 1 1HG LYS 1 14.389 10.631 0.298
9 1HD LYS 1 2HD LYS 1 14.869 7.757 0.171
10 2HD LYS 1 1HD LYS 1 14.575 8.481 -1.411
11 1HE LYS 1 2HE LYS 1 16.681 9.187 -1.419
12 2HE LYS 1 1HE LYS 1 16.284 10.248 -0.068
13 1HZ LYS 1 1HZ LYS 1 16.661 7.925 1.191
14 2HZ LYS 1 2HZ LYS 1 17.879 9.074 0.958
15 3HZ LYS 1 3HZ LYS 1 17.754 7.752 -0.089
16 HA PRO 2 HA PRO 2 9.159 9.764 4.562
17 1HB PRO 2 2HB PRO 2 7.125 10.268 2.813
18 2HB PRO 2 1HB PRO 2 7.902 11.519 3.788
19 1HG PRO 2 2HG PRO 2 8.374 10.781 0.927
20 2HG PRO 2 1HG PRO 2 8.253 12.391 1.663
21 1HD PRO 2 2HD PRO 2 10.627 11.273 1.047
22 2HD PRO 2 1HD PRO 2 10.421 12.325 2.463
23 H ASP 3 H ASP 3 6.862 8.598 3.610
24 HA ASP 3 HA ASP 3 7.484 5.929 3.382
25 1HB ASP 3 2HB ASP 3 5.034 7.289 2.258
26 2HB ASP 3 1HB ASP 3 5.185 5.573 2.624
27 H CYS 4 H CYS 4 9.234 5.787 1.893
28 HA CYS 4 HA CYS 4 8.383 5.851 -0.921
29 1HB CYS 4 2HB CYS 4 10.599 7.115 0.305
30 2HB CYS 4 1HB CYS 4 11.241 5.811 -0.685
31 HA PRO 5 HA PRO 5 9.318 1.576 -1.206
32 1HB PRO 5 2HB PRO 5 10.129 1.295 -3.754
33 2HB PRO 5 1HB PRO 5 8.467 1.728 -3.337
34 1HG PRO 5 2HG PRO 5 10.692 3.462 -4.309
35 2HG PRO 5 1HG PRO 5 8.966 3.521 -4.704
36 1HD PRO 5 2HD PRO 5 10.229 5.174 -2.885
37 2HD PRO 5 1HD PRO 5 8.489 4.834 -2.904
38 H LEU 6 H LEU 6 10.902 0.303 -0.527
39 HA LEU 6 HA LEU 6 13.642 0.739 -1.439
40 1HB LEU 6 2HB LEU 6 12.649 1.176 1.293
41 2HB LEU 6 1HB LEU 6 14.063 0.143 1.197
42 HG LEU 6 HG LEU 6 14.656 2.324 -0.450
43 1HD1 LEU 6 1HD1 LEU 6 13.873 4.220 0.445
44 2HD1 LEU 6 2HD1 LEU 6 14.033 3.622 2.098
45 3HD1 LEU 6 3HD1 LEU 6 12.619 3.191 1.136
46 1HD2 LEU 6 1HD2 LEU 6 15.533 2.127 2.406
47 2HD2 LEU 6 2HD2 LEU 6 16.456 2.620 0.986
48 3HD2 LEU 6 3HD2 LEU 6 16.037 0.923 1.221
49 H ILE 7 H ILE 7 11.975 -1.235 -2.297
50 HA ILE 7 HA ILE 7 11.643 -3.497 -2.433
51 HB ILE 7 HB ILE 7 14.560 -3.411 -1.654
52 1HG1 ILE 7 2HG1 ILE 7 13.471 -3.902 -4.408
53 2HG1 ILE 7 1HG1 ILE 7 13.625 -2.256 -3.803
54 1HG2 ILE 7 1HG2 ILE 7 14.661 -5.656 -2.740
55 2HG2 ILE 7 2HG2 ILE 7 12.898 -5.664 -2.768
56 3HG2 ILE 7 3HG2 ILE 7 13.755 -5.621 -1.227
57 1HD1 ILE 7 1HD1 ILE 7 15.925 -4.175 -3.792
58 2HD1 ILE 7 2HD1 ILE 7 15.955 -2.417 -3.651
59 3HD1 ILE 7 3HD1 ILE 7 15.538 -3.172 -5.190
60 H CYS 8 H CYS 8 10.178 -3.733 -0.676
61 HA CYS 8 HA CYS 8 11.180 -4.336 1.950
62 1HB CYS 8 2HB CYS 8 8.713 -3.523 0.891
63 2HB CYS 8 1HB CYS 8 8.447 -5.082 1.653
64 H THR 9 H THR 9 8.834 -6.265 0.132
65 HA THR 9 HA THR 9 10.492 -8.569 -0.006
66 HB THR 9 HB THR 9 10.154 -8.700 2.359
67 HG1 THR 9 1HG THR 9 9.868 -10.738 2.046
68 1HG2 THR 9 1HG2 THR 9 7.841 -8.987 3.291
69 2HG2 THR 9 2HG2 THR 9 7.236 -8.336 1.768
70 3HG2 THR 9 3HG2 THR 9 8.274 -7.351 2.796
71 H MET 10 H MET 10 9.424 -10.412 -0.935
72 HA MET 10 HA MET 10 7.166 -9.617 -2.595
73 1HB MET 10 2HB MET 10 9.340 -11.590 -2.783
74 2HB MET 10 1HB MET 10 7.787 -12.164 -3.375
75 1HG MET 10 2HG MET 10 7.878 -10.889 -5.201
76 2HG MET 10 1HG MET 10 8.467 -9.488 -4.307
77 1HE MET 10 1HE MET 10 9.023 -12.004 -6.799
78 2HE MET 10 2HE MET 10 10.715 -11.815 -7.258
79 3HE MET 10 3HE MET 10 9.603 -10.454 -7.410
80 H GLN 11 H GLN 11 7.119 -10.430 0.348
81 HA GLN 11 HA GLN 11 5.627 -12.852 0.485
82 1HB GLN 11 2HB GLN 11 6.974 -11.885 2.377
83 2HB GLN 11 1HB GLN 11 5.749 -10.633 2.535
84 1HG GLN 11 2HG GLN 11 4.130 -12.688 2.721
85 2HG GLN 11 1HG GLN 11 5.605 -13.523 3.208
86 1HE2 GLN 11 1HE2 GLN 11 3.210 -11.203 4.068
87 2HE2 GLN 11 2HE2 GLN 11 3.733 -10.943 5.694
88 H TYR 12 H TYR 12 4.294 -11.997 -1.363
89 HA TYR 12 HA TYR 12 2.528 -10.194 -1.770
90 1HB TYR 12 2HB TYR 12 2.425 -12.986 -2.164
91 2HB TYR 12 1HB TYR 12 0.836 -12.501 -1.583
92 HD1 TYR 12 1HD TYR 12 3.403 -11.284 -4.025
93 HD2 TYR 12 2HD TYR 12 -0.715 -11.940 -3.180
94 HE1 TYR 12 1HE TYR 12 2.818 -10.481 -6.274
95 HE2 TYR 12 2HE TYR 12 -1.312 -11.142 -5.428
96 HH TYR 12 HH TYR 12 1.062 -10.600 -7.874
97 H ASP 13 H ASP 13 1.762 -8.811 -0.346
98 HA ASP 13 HA ASP 13 -0.181 -9.791 1.628
99 1HB ASP 13 2HB ASP 13 2.273 -8.817 2.365
100 2HB ASP 13 1HB ASP 13 1.289 -7.357 2.402
101 HA PRO 14 HA PRO 14 -1.788 -6.606 -1.415
102 1HB PRO 14 2HB PRO 14 -4.244 -7.876 -1.587
103 2HB PRO 14 1HB PRO 14 -2.893 -8.119 -2.699
104 1HG PRO 14 2HG PRO 14 -3.731 -9.763 -0.346
105 2HG PRO 14 1HG PRO 14 -3.154 -10.295 -1.938
106 1HD PRO 14 2HD PRO 14 -1.543 -10.327 0.195
107 2HD PRO 14 1HD PRO 14 -0.930 -9.874 -1.410
108 H VAL 15 H VAL 15 -1.874 -5.023 0.227
109 HA VAL 15 HA VAL 15 -4.256 -5.060 1.949
110 HB VAL 15 HB VAL 15 -3.098 -3.548 3.397
111 1HG1 VAL 15 1HG1 VAL 15 -2.176 -6.159 2.835
112 2HG1 VAL 15 2HG1 VAL 15 -2.123 -5.285 4.367
113 3HG1 VAL 15 3HG1 VAL 15 -0.774 -5.167 3.236
114 1HG2 VAL 15 1HG2 VAL 15 -0.597 -3.098 2.791
115 2HG2 VAL 15 2HG2 VAL 15 -1.874 -2.082 2.122
116 3HG2 VAL 15 3HG2 VAL 15 -1.166 -3.366 1.143
117 H CYS 16 H CYS 16 -5.785 -3.669 1.624
118 HA CYS 16 HA CYS 16 -5.592 -1.773 -0.525
119 1HB CYS 16 2HB CYS 16 -7.661 -3.145 0.843
120 2HB CYS 16 1HB CYS 16 -7.946 -1.429 0.996
121 H GLY 17 H GLY 17 -5.190 0.355 -0.357
122 1HA GLY 17 2HA GLY 17 -4.981 1.397 2.392
123 2HA GLY 17 1HA GLY 17 -3.945 1.902 1.073
124 H SER 18 H SER 18 -5.532 3.432 2.906
125 HA SER 18 HA SER 18 -7.886 4.493 1.991
126 1HB SER 18 2HB SER 18 -6.517 5.061 4.120
127 2HB SER 18 1HB SER 18 -5.716 6.262 3.106
128 HG SER 18 HG SER 18 -7.477 7.441 3.096
129 H ASP 19 H ASP 19 -8.031 4.616 -0.110
130 HA ASP 19 HA ASP 19 -7.523 6.917 -1.504
131 1HB ASP 19 2HB ASP 19 -5.093 6.074 -1.273
132 2HB ASP 19 1HB ASP 19 -5.553 4.808 -2.406
133 H GLY 20 H GLY 20 -7.871 3.471 -1.442
134 1HA GLY 20 2HA GLY 20 -9.840 2.464 -2.367
135 2HA GLY 20 1HA GLY 20 -9.769 3.639 -3.675
136 H ILE 21 H ILE 21 -6.966 1.866 -2.422
137 HA ILE 21 HA ILE 21 -7.063 0.210 -4.854
138 HB ILE 21 HB ILE 21 -4.795 2.025 -4.090
139 1HG1 ILE 21 2HG1 ILE 21 -6.594 2.943 -5.520
140 2HG1 ILE 21 1HG1 ILE 21 -5.054 2.849 -6.370
141 1HG2 ILE 21 1HG2 ILE 21 -4.782 -0.403 -5.854
142 2HG2 ILE 21 2HG2 ILE 21 -3.659 0.031 -4.565
143 3HG2 ILE 21 3HG2 ILE 21 -3.639 0.919 -6.088
144 1HD1 ILE 21 1HD1 ILE 21 -6.488 0.428 -6.798
145 2HD1 ILE 21 2HD1 ILE 21 -5.992 1.649 -7.968
146 3HD1 ILE 21 3HD1 ILE 21 -7.544 1.797 -7.145
147 H THR 22 H THR 22 -6.224 -1.774 -4.725
148 HA THR 22 HA THR 22 -5.352 -2.709 -2.101
149 HB THR 22 HB THR 22 -6.083 -4.190 -4.639
150 HG1 THR 22 1HG THR 22 -7.448 -4.403 -2.206
151 1HG2 THR 22 1HG2 THR 22 -4.887 -5.878 -3.798
152 2HG2 THR 22 2HG2 THR 22 -6.230 -6.042 -2.667
153 3HG2 THR 22 3HG2 THR 22 -4.787 -5.143 -2.199
154 H TYR 23 H TYR 23 -3.232 -2.652 -1.696
155 HA TYR 23 HA TYR 23 -1.370 -2.739 -3.932
156 1HB TYR 23 2HB TYR 23 -0.782 -2.053 -1.064
157 2HB TYR 23 1HB TYR 23 0.178 -1.702 -2.492
158 HD1 TYR 23 1HD TYR 23 -0.684 -0.075 -4.193
159 HD2 TYR 23 2HD TYR 23 -2.565 -0.610 -0.416
160 HE1 TYR 23 1HE TYR 23 -1.870 2.056 -4.489
161 HE2 TYR 23 2HE TYR 23 -3.755 1.520 -0.704
162 HH TYR 23 HH TYR 23 -3.093 3.645 -3.429
163 H GLY 24 H GLY 24 0.104 -4.226 -4.235
164 1HA GLY 24 2HA GLY 24 -0.145 -6.819 -3.331
165 2HA GLY 24 1HA GLY 24 1.345 -6.153 -3.982
166 H ASN 25 H ASN 25 1.391 -4.142 -1.816
167 HA ASN 25 HA ASN 25 1.593 -5.480 0.657
168 1HB ASN 25 2HB ASN 25 4.306 -4.609 0.127
169 2HB ASN 25 1HB ASN 25 3.736 -6.157 0.740
170 1HD2 ASN 25 1HD2 ASN 25 4.920 -7.549 -0.408
171 2HD2 ASN 25 2HD2 ASN 25 4.931 -7.652 -2.132
172 H ALA 26 H ALA 26 1.682 -4.057 2.291
173 HA ALA 26 HA ALA 26 1.052 -1.396 1.846
174 1HB ALA 26 1HB ALA 26 0.961 -1.157 4.124
175 2HB ALA 26 2HB ALA 26 2.411 -2.124 4.393
176 3HB ALA 26 3HB ALA 26 0.885 -2.915 3.999
177 H CYS 27 H CYS 27 4.055 -2.989 1.775
178 HA CYS 27 HA CYS 27 5.690 -0.671 2.291
179 1HB CYS 27 2HB CYS 27 6.205 -3.484 1.390
180 2HB CYS 27 1HB CYS 27 7.450 -2.260 1.207
181 H MET 28 H MET 28 4.381 -2.418 -0.448
182 HA MET 28 HA MET 28 6.004 -1.091 -2.381
183 1HB MET 28 2HB MET 28 3.524 -2.793 -2.513
184 2HB MET 28 1HB MET 28 4.272 -2.119 -3.957
185 1HG MET 28 2HG MET 28 6.435 -3.232 -2.916
186 2HG MET 28 1HG MET 28 5.234 -4.256 -2.134
187 1HE MET 28 1HE MET 28 7.475 -3.687 -4.712
188 2HE MET 28 2HE MET 28 6.997 -4.591 -6.149
189 3HE MET 28 3HE MET 28 7.501 -5.449 -4.693
190 H LEU 29 H LEU 29 2.758 -0.603 -1.124
191 HA LEU 29 HA LEU 29 2.333 1.588 -2.935
192 1HB LEU 29 2HB LEU 29 0.172 1.569 -2.283
193 2HB LEU 29 1HB LEU 29 0.640 -0.074 -1.946
194 HG LEU 29 HG LEU 29 -0.496 0.328 -0.051
195 1HD1 LEU 29 1HD1 LEU 29 2.135 0.279 0.371
196 2HD1 LEU 29 2HD1 LEU 29 0.941 0.379 1.663
197 3HD1 LEU 29 3HD1 LEU 29 1.745 1.836 1.096
198 1HD2 LEU 29 1HD2 LEU 29 -0.730 2.804 -1.010
199 2HD2 LEU 29 2HD2 LEU 29 0.303 3.126 0.381
200 3HD2 LEU 29 3HD2 LEU 29 -1.259 2.339 0.606
201 H LEU 30 H LEU 30 3.810 1.145 0.123
202 HA LEU 30 HA LEU 30 3.334 3.733 1.180
203 1HB LEU 30 2HB LEU 30 4.934 3.259 2.766
204 2HB LEU 30 1HB LEU 30 4.522 1.628 2.271
205 HG LEU 30 HG LEU 30 6.497 1.933 0.600
206 1HD1 LEU 30 1HD1 LEU 30 6.695 4.291 2.322
207 2HD1 LEU 30 2HD1 LEU 30 7.401 3.982 0.736
208 3HD1 LEU 30 3HD1 LEU 30 8.190 3.364 2.188
209 1HD2 LEU 30 1HD2 LEU 30 6.283 0.969 3.292
210 2HD2 LEU 30 2HD2 LEU 30 7.904 1.600 3.006
211 3HD2 LEU 30 3HD2 LEU 30 7.249 0.343 1.957
212 H GLY 31 H GLY 31 5.656 2.267 -1.014
213 1HA GLY 31 2HA GLY 31 7.244 4.578 -1.435
214 2HA GLY 31 1HA GLY 31 7.125 3.198 -2.519
215 H ALA 32 H ALA 32 4.309 3.329 -2.845
216 HA ALA 32 HA ALA 32 4.099 4.983 -5.076
217 1HB ALA 32 1HB ALA 32 1.582 4.611 -4.701
218 2HB ALA 32 2HB ALA 32 2.088 3.596 -3.351
219 3HB ALA 32 3HB ALA 32 2.605 3.204 -4.989
220 H SER 33 H SER 33 3.342 5.584 -1.701
221 HA SER 33 HA SER 33 1.940 8.013 -2.119
222 1HB SER 33 2HB SER 33 1.578 7.877 0.093
223 2HB SER 33 1HB SER 33 2.483 6.365 0.063
224 HG SER 33 HG SER 33 4.361 7.541 0.529
225 H CYS 34 H CYS 34 5.279 7.317 -1.085
226 HA CYS 34 HA CYS 34 6.126 10.012 -1.015
227 1HB CYS 34 2HB CYS 34 7.480 8.477 0.129
228 2HB CYS 34 1HB CYS 34 7.559 7.394 -1.250
229 H ARG 35 H ARG 35 5.768 7.772 -3.665
230 HA ARG 35 HA ARG 35 7.437 9.281 -5.462
231 1HB ARG 35 2HB ARG 35 7.142 7.583 -6.956
232 2HB ARG 35 1HB ARG 35 6.757 6.724 -5.473
233 1HG ARG 35 2HG ARG 35 4.328 7.347 -5.960
234 2HG ARG 35 1HG ARG 35 4.896 7.747 -7.582
235 1HD ARG 35 2HD ARG 35 5.493 5.102 -6.297
236 2HD ARG 35 1HD ARG 35 3.995 5.385 -7.183
237 HE ARG 35 HE ARG 35 6.674 5.181 -8.285
238 1HH1 ARG 35 1HH1 ARG 35 3.334 6.021 -8.804
239 2HH1 ARG 35 2HH1 ARG 35 3.435 5.892 -10.528
240 1HH2 ARG 35 1HH2 ARG 35 6.819 5.003 -10.549
241 2HH2 ARG 35 2HH2 ARG 35 5.418 5.309 -11.522
242 H SER 36 H SER 36 3.979 8.957 -4.851
243 HA SER 36 HA SER 36 3.221 10.634 -7.048
244 1HB SER 36 2HB SER 36 1.662 8.960 -6.270
245 2HB SER 36 1HB SER 36 1.676 9.638 -4.645
246 HG SER 36 HG SER 36 0.500 10.652 -6.987
247 H ASP 37 H ASP 37 1.948 11.311 -3.868
248 HA ASP 37 HA ASP 37 3.478 13.529 -3.168
249 1HB ASP 37 2HB ASP 37 2.169 14.185 -5.430
250 2HB ASP 37 1HB ASP 37 0.943 14.629 -4.246
251 H THR 38 H THR 38 0.338 11.992 -3.223
252 HA THR 38 HA THR 38 -0.371 13.151 -0.642
253 HB THR 38 HB THR 38 -2.463 11.625 -1.113
254 HG1 THR 38 1HG THR 38 -1.776 12.095 -3.776
255 1HG2 THR 38 1HG2 THR 38 -2.198 14.210 -1.287
256 2HG2 THR 38 2HG2 THR 38 -3.595 13.404 -2.001
257 3HG2 THR 38 3HG2 THR 38 -2.243 13.895 -3.022
258 HA PRO 39 HA PRO 39 1.412 9.523 1.279
259 1HB PRO 39 2HB PRO 39 0.784 10.226 3.832
260 2HB PRO 39 1HB PRO 39 2.156 10.906 2.949
261 1HG PRO 39 2HG PRO 39 -0.570 12.060 3.396
262 2HG PRO 39 1HG PRO 39 1.012 12.858 3.483
263 1HD PRO 39 2HD PRO 39 -0.605 13.085 1.330
264 2HD PRO 39 1HD PRO 39 1.165 13.085 1.191
265 H ILE 40 H ILE 40 -0.446 8.370 0.171
266 HA ILE 40 HA ILE 40 -2.971 8.007 1.184
267 HB ILE 40 HB ILE 40 -3.072 5.971 0.022
268 1HG1 ILE 40 2HG1 ILE 40 -0.431 5.601 1.087
269 2HG1 ILE 40 1HG1 ILE 40 -1.521 4.404 0.405
270 1HG2 ILE 40 1HG2 ILE 40 -0.872 7.359 -1.464
271 2HG2 ILE 40 2HG2 ILE 40 -2.463 8.095 -1.273
272 3HG2 ILE 40 3HG2 ILE 40 -2.301 6.546 -2.103
273 1HD1 ILE 40 1HD1 ILE 40 0.781 4.611 -0.627
274 2HD1 ILE 40 2HD1 ILE 40 0.224 6.135 -1.313
275 3HD1 ILE 40 3HD1 ILE 40 -0.589 4.628 -1.736
276 H GLU 41 H GLU 41 -3.694 5.749 2.229
277 HA GLU 41 HA GLU 41 -1.853 5.113 4.436
278 1HB GLU 41 2HB GLU 41 -4.789 5.597 4.908
279 2HB GLU 41 1HB GLU 41 -3.522 5.385 6.109
280 1HG GLU 41 2HG GLU 41 -3.002 7.621 4.340
281 2HG GLU 41 1HG GLU 41 -4.538 7.775 5.190
282 H LEU 42 H LEU 42 -3.133 3.333 5.851
283 HA LEU 42 HA LEU 42 -3.914 1.254 3.917
284 1HB LEU 42 2HB LEU 42 -2.026 1.213 6.038
285 2HB LEU 42 1HB LEU 42 -3.352 0.161 6.496
286 HG LEU 42 HG LEU 42 -1.527 -1.042 5.337
287 1HD1 LEU 42 1HD1 LEU 42 -4.333 -1.047 4.635
288 2HD1 LEU 42 2HD1 LEU 42 -3.236 -2.398 4.920
289 3HD1 LEU 42 3HD1 LEU 42 -3.323 -1.654 3.324
290 1HD2 LEU 42 1HD2 LEU 42 -2.356 0.241 2.773
291 2HD2 LEU 42 2HD2 LEU 42 -0.858 -0.597 3.182
292 3HD2 LEU 42 3HD2 LEU 42 -1.151 1.033 3.789
293 H VAL 43 H VAL 43 -5.911 0.371 4.073
294 HA VAL 43 HA VAL 43 -7.495 1.157 6.424
295 HB VAL 43 HB VAL 43 -8.076 2.429 4.393
296 1HG1 VAL 43 1HG1 VAL 43 -8.258 -0.261 3.251
297 2HG1 VAL 43 2HG1 VAL 43 -7.919 1.288 2.481
298 3HG1 VAL 43 3HG1 VAL 43 -9.582 0.821 2.825
299 1HG2 VAL 43 1HG2 VAL 43 -9.839 2.430 5.836
300 2HG2 VAL 43 2HG2 VAL 43 -10.032 0.677 5.783
301 3HG2 VAL 43 3HG2 VAL 43 -10.584 1.667 4.432
302 H HIS 44 H HIS 44 -6.913 -1.333 4.007
303 HA HIS 44 HA HIS 44 -8.153 -3.271 5.826
304 1HB HIS 44 2HB HIS 44 -8.489 -3.682 2.889
305 2HB HIS 44 1HB HIS 44 -9.489 -4.251 4.224
306 HD1 HIS 44 1HD HIS 44 -10.309 -1.742 5.600
307 HD2 HIS 44 2HD HIS 44 -10.067 -2.024 1.472
308 HE1 HIS 44 1HE HIS 44 -11.773 0.092 4.718
309 HE2 HIS 44 2HE HIS 44 -11.764 -0.223 2.218
310 H LYS 45 H LYS 45 -7.123 -5.217 5.983
311 HA LYS 45 HA LYS 45 -4.506 -5.379 4.702
312 1HB LYS 45 2HB LYS 45 -5.424 -7.404 6.687
313 2HB LYS 45 1HB LYS 45 -3.825 -6.716 6.449
314 1HG LYS 45 2HG LYS 45 -4.164 -5.210 8.040
315 2HG LYS 45 1HG LYS 45 -5.684 -4.690 7.311
316 1HD LYS 45 2HD LYS 45 -6.557 -5.507 9.230
317 2HD LYS 45 1HD LYS 45 -6.457 -7.042 8.365
318 1HE LYS 45 2HE LYS 45 -4.185 -6.028 10.044
319 2HE LYS 45 1HE LYS 45 -5.517 -6.944 10.747
320 1HZ LYS 45 1HZ LYS 45 -4.724 -8.371 8.531
321 2HZ LYS 45 2HZ LYS 45 -4.430 -8.764 10.149
322 3HZ LYS 45 3HZ LYS 45 -3.283 -7.883 9.271
323 H GLY 46 H GLY 46 -6.137 -5.815 2.721
324 1HA GLY 46 2HA GLY 46 -5.568 -8.384 1.802
325 2HA GLY 46 1HA GLY 46 -7.201 -8.417 2.449
326 H ARG 47 H ARG 47 -8.284 -8.694 0.546
327 HA ARG 47 HA ARG 47 -7.775 -6.877 -1.665
328 1HB ARG 47 2HB ARG 47 -9.847 -9.066 -1.492
329 2HB ARG 47 1HB ARG 47 -9.249 -8.276 -2.945
330 1HG ARG 47 2HG ARG 47 -6.962 -9.205 -2.296
331 2HG ARG 47 1HG ARG 47 -7.844 -10.238 -1.169
332 1HD ARG 47 2HD ARG 47 -8.332 -10.086 -4.143
333 2HD ARG 47 1HD ARG 47 -7.407 -11.347 -3.328
334 HE ARG 47 HE ARG 47 -9.862 -11.316 -2.093
335 1HH1 ARG 47 1HH1 ARG 47 -8.687 -11.792 -5.336
336 2HH1 ARG 47 2HH1 ARG 47 -9.980 -12.851 -5.788
337 1HH2 ARG 47 1HH2 ARG 47 -11.570 -12.707 -2.676
338 2HH2 ARG 47 2HH2 ARG 47 -11.619 -13.371 -4.275
339 H CYS 48 H CYS 48 -8.542 -5.254 0.188
340 HA CYS 48 HA CYS 48 -10.111 -3.786 0.954
341 1HB CYS 48 2HB CYS 48 -10.380 -4.067 -1.929
342 2HB CYS 48 1HB CYS 48 -11.874 -3.515 -1.179
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 3.512 9.082 6.984
2 2H LYS 1 2HT LYS 1 5.078 9.729 7.257
3 3H LYS 1 3HT LYS 1 4.172 9.087 8.566
4 HA LYS 1 HA LYS 1 5.129 7.186 8.256
5 1HB LYS 1 2HB LYS 1 3.273 7.507 6.023
6 2HB LYS 1 1HB LYS 1 4.559 6.361 5.669
7 1HG LYS 1 2HG LYS 1 2.359 5.523 6.735
8 2HG LYS 1 1HG LYS 1 3.899 4.903 7.329
9 1HD LYS 1 2HD LYS 1 3.134 7.317 8.720
10 2HD LYS 1 1HD LYS 1 1.873 6.087 8.833
11 1HE LYS 1 2HE LYS 1 3.227 4.611 9.963
12 2HE LYS 1 1HE LYS 1 4.709 5.301 9.304
13 1HZ LYS 1 1HZ LYS 1 4.887 6.294 11.276
14 2HZ LYS 1 2HZ LYS 1 3.277 5.989 11.696
15 3HZ LYS 1 3HZ LYS 1 3.663 7.339 10.751
16 HA PRO 2 HA PRO 2 9.079 7.267 6.330
17 1HB PRO 2 2HB PRO 2 8.607 4.675 4.984
18 2HB PRO 2 1HB PRO 2 9.845 5.121 6.160
19 1HG PRO 2 2HG PRO 2 7.793 3.550 6.841
20 2HG PRO 2 1HG PRO 2 8.449 4.752 7.969
21 1HD PRO 2 2HD PRO 2 5.966 4.869 6.302
22 2HD PRO 2 1HD PRO 2 6.233 5.424 7.968
23 H ASP 3 H ASP 3 10.110 6.318 4.017
24 HA ASP 3 HA ASP 3 8.407 7.393 1.873
25 1HB ASP 3 2HB ASP 3 11.350 8.014 2.229
26 2HB ASP 3 1HB ASP 3 10.314 8.591 0.926
27 H CYS 4 H CYS 4 9.254 6.818 -0.306
28 HA CYS 4 HA CYS 4 9.196 4.290 -0.979
29 1HB CYS 4 2HB CYS 4 11.500 5.356 -2.394
30 2HB CYS 4 1HB CYS 4 9.924 4.887 -3.010
31 HA PRO 5 HA PRO 5 12.658 2.306 1.008
32 1HB PRO 5 2HB PRO 5 11.659 -0.155 0.964
33 2HB PRO 5 1HB PRO 5 10.903 1.096 1.960
34 1HG PRO 5 2HG PRO 5 10.006 -0.062 -0.629
35 2HG PRO 5 1HG PRO 5 9.040 0.543 0.727
36 1HD PRO 5 2HD PRO 5 9.711 1.933 -1.660
37 2HD PRO 5 1HD PRO 5 8.900 2.593 -0.230
38 H LEU 6 H LEU 6 13.461 -0.214 0.386
39 HA LEU 6 HA LEU 6 14.153 -0.100 -2.473
40 1HB LEU 6 2HB LEU 6 15.912 0.181 -0.311
41 2HB LEU 6 1HB LEU 6 16.155 -1.456 -0.890
42 HG LEU 6 HG LEU 6 16.666 -0.641 -3.119
43 1HD1 LEU 6 1HD1 LEU 6 17.001 2.107 -2.814
44 2HD1 LEU 6 2HD1 LEU 6 15.415 1.758 -2.124
45 3HD1 LEU 6 3HD1 LEU 6 15.779 1.283 -3.783
46 1HD2 LEU 6 1HD2 LEU 6 18.649 0.925 -2.398
47 2HD2 LEU 6 2HD2 LEU 6 18.637 -0.782 -1.959
48 3HD2 LEU 6 3HD2 LEU 6 18.159 0.434 -0.775
49 H ILE 7 H ILE 7 12.063 -1.482 -2.187
50 HA ILE 7 HA ILE 7 11.121 -3.519 -2.570
51 HB ILE 7 HB ILE 7 13.984 -4.460 -2.595
52 1HG1 ILE 7 2HG1 ILE 7 12.778 -4.668 -5.133
53 2HG1 ILE 7 1HG1 ILE 7 12.328 -3.083 -4.510
54 1HG2 ILE 7 1HG2 ILE 7 11.629 -5.972 -3.680
55 2HG2 ILE 7 2HG2 ILE 7 12.206 -6.196 -2.029
56 3HG2 ILE 7 3HG2 ILE 7 13.269 -6.551 -3.390
57 1HD1 ILE 7 1HD1 ILE 7 15.168 -3.907 -4.296
58 2HD1 ILE 7 2HD1 ILE 7 14.466 -2.310 -4.556
59 3HD1 ILE 7 3HD1 ILE 7 14.541 -3.468 -5.884
60 H CYS 8 H CYS 8 9.965 -4.075 -0.818
61 HA CYS 8 HA CYS 8 11.229 -4.694 1.686
62 1HB CYS 8 2HB CYS 8 8.693 -3.822 0.906
63 2HB CYS 8 1HB CYS 8 8.461 -5.383 1.674
64 H THR 9 H THR 9 8.719 -6.593 0.043
65 HA THR 9 HA THR 9 10.386 -8.932 -0.038
66 HB THR 9 HB THR 9 9.774 -8.873 2.350
67 HG1 THR 9 1HG THR 9 8.387 -10.956 1.035
68 1HG2 THR 9 1HG2 THR 9 7.714 -7.877 2.585
69 2HG2 THR 9 2HG2 THR 9 7.337 -9.584 2.811
70 3HG2 THR 9 3HG2 THR 9 6.999 -8.803 1.266
71 H MET 10 H MET 10 9.165 -10.876 -0.767
72 HA MET 10 HA MET 10 7.110 -10.062 -2.693
73 1HB MET 10 2HB MET 10 8.811 -12.561 -2.586
74 2HB MET 10 1HB MET 10 7.640 -12.182 -3.843
75 1HG MET 10 2HG MET 10 10.116 -10.593 -3.211
76 2HG MET 10 1HG MET 10 9.923 -11.717 -4.555
77 1HE MET 10 1HE MET 10 7.411 -11.419 -5.871
78 2HE MET 10 2HE MET 10 6.780 -9.820 -6.271
79 3HE MET 10 3HE MET 10 6.517 -10.495 -4.663
80 H GLN 11 H GLN 11 6.720 -10.636 0.216
81 HA GLN 11 HA GLN 11 5.192 -13.091 0.283
82 1HB GLN 11 2HB GLN 11 6.084 -11.060 2.246
83 2HB GLN 11 1HB GLN 11 4.561 -11.858 2.609
84 1HG GLN 11 2HG GLN 11 6.133 -13.973 1.944
85 2HG GLN 11 1HG GLN 11 7.298 -12.885 2.698
86 1HE2 GLN 11 1HE2 GLN 11 4.669 -15.016 3.182
87 2HE2 GLN 11 2HE2 GLN 11 4.580 -14.884 4.902
88 H TYR 12 H TYR 12 4.015 -11.984 -1.638
89 HA TYR 12 HA TYR 12 2.343 -10.054 -1.908
90 1HB TYR 12 2HB TYR 12 2.175 -12.769 -2.677
91 2HB TYR 12 1HB TYR 12 0.571 -12.275 -2.142
92 HD1 TYR 12 1HD TYR 12 -0.833 -11.452 -3.769
93 HD2 TYR 12 2HD TYR 12 3.358 -10.862 -4.206
94 HE1 TYR 12 1HE TYR 12 -1.221 -10.327 -5.921
95 HE2 TYR 12 2HE TYR 12 2.979 -9.735 -6.358
96 HH TYR 12 HH TYR 12 -0.153 -8.800 -7.421
97 H ASP 13 H ASP 13 1.786 -8.930 -0.115
98 HA ASP 13 HA ASP 13 -0.424 -10.051 1.471
99 1HB ASP 13 2HB ASP 13 2.074 -9.168 2.441
100 2HB ASP 13 1HB ASP 13 0.927 -7.891 2.838
101 HA PRO 14 HA PRO 14 -1.456 -6.377 -1.312
102 1HB PRO 14 2HB PRO 14 -4.026 -7.497 -1.628
103 2HB PRO 14 1HB PRO 14 -2.712 -7.522 -2.806
104 1HG PRO 14 2HG PRO 14 -3.537 -9.601 -0.839
105 2HG PRO 14 1HG PRO 14 -2.897 -9.795 -2.483
106 1HD PRO 14 2HD PRO 14 -1.351 -10.262 -0.365
107 2HD PRO 14 1HD PRO 14 -0.693 -9.427 -1.792
108 H VAL 15 H VAL 15 -1.881 -4.669 -0.120
109 HA VAL 15 HA VAL 15 -4.113 -4.788 1.781
110 HB VAL 15 HB VAL 15 -2.839 -3.080 3.098
111 1HG1 VAL 15 1HG1 VAL 15 -2.707 -5.800 3.195
112 2HG1 VAL 15 2HG1 VAL 15 -2.033 -4.714 4.410
113 3HG1 VAL 15 3HG1 VAL 15 -1.002 -5.356 3.132
114 1HG2 VAL 15 1HG2 VAL 15 -1.265 -2.141 1.701
115 2HG2 VAL 15 2HG2 VAL 15 -0.782 -3.699 1.030
116 3HG2 VAL 15 3HG2 VAL 15 -0.282 -3.248 2.660
117 H CYS 16 H CYS 16 -5.619 -3.344 1.504
118 HA CYS 16 HA CYS 16 -5.427 -1.476 -0.664
119 1HB CYS 16 2HB CYS 16 -7.489 -2.764 0.768
120 2HB CYS 16 1HB CYS 16 -7.708 -1.042 0.964
121 H GLY 17 H GLY 17 -4.826 0.589 -0.539
122 1HA GLY 17 2HA GLY 17 -4.433 1.677 2.155
123 2HA GLY 17 1HA GLY 17 -3.518 2.150 0.733
124 H SER 18 H SER 18 -5.180 3.567 2.785
125 HA SER 18 HA SER 18 -7.513 4.622 1.833
126 1HB SER 18 2HB SER 18 -5.996 5.131 3.999
127 2HB SER 18 1HB SER 18 -5.610 6.560 3.042
128 HG SER 18 HG SER 18 -8.231 5.678 3.683
129 H ASP 19 H ASP 19 -7.630 4.902 -0.243
130 HA ASP 19 HA ASP 19 -7.087 7.262 -1.503
131 1HB ASP 19 2HB ASP 19 -4.731 6.929 -1.415
132 2HB ASP 19 1HB ASP 19 -4.879 5.236 -1.876
133 H GLY 20 H GLY 20 -7.426 3.821 -1.625
134 1HA GLY 20 2HA GLY 20 -9.323 2.869 -2.743
135 2HA GLY 20 1HA GLY 20 -9.143 4.094 -3.992
136 H ILE 21 H ILE 21 -6.425 2.310 -2.614
137 HA ILE 21 HA ILE 21 -6.324 0.741 -5.107
138 HB ILE 21 HB ILE 21 -4.057 2.374 -3.990
139 1HG1 ILE 21 2HG1 ILE 21 -5.720 3.578 -5.387
140 2HG1 ILE 21 1HG1 ILE 21 -4.127 3.515 -6.134
141 1HG2 ILE 21 1HG2 ILE 21 -4.051 0.365 -6.239
142 2HG2 ILE 21 2HG2 ILE 21 -3.227 0.202 -4.688
143 3HG2 ILE 21 3HG2 ILE 21 -2.718 1.445 -5.832
144 1HD1 ILE 21 1HD1 ILE 21 -5.379 1.277 -7.128
145 2HD1 ILE 21 2HD1 ILE 21 -5.179 2.820 -7.959
146 3HD1 ILE 21 3HD1 ILE 21 -6.665 2.483 -7.074
147 H THR 22 H THR 22 -5.632 -1.290 -4.953
148 HA THR 22 HA THR 22 -4.933 -2.307 -2.302
149 HB THR 22 HB THR 22 -5.571 -3.818 -4.845
150 HG1 THR 22 1HG THR 22 -7.559 -4.232 -3.625
151 1HG2 THR 22 1HG2 THR 22 -5.844 -5.759 -3.495
152 2HG2 THR 22 2HG2 THR 22 -5.561 -4.836 -2.018
153 3HG2 THR 22 3HG2 THR 22 -4.247 -5.086 -3.167
154 H TYR 23 H TYR 23 -2.809 -1.870 -2.007
155 HA TYR 23 HA TYR 23 -0.874 -2.202 -4.089
156 1HB TYR 23 2HB TYR 23 -0.412 -1.718 -1.145
157 2HB TYR 23 1HB TYR 23 0.699 -1.391 -2.469
158 HD1 TYR 23 1HD TYR 23 -2.387 -0.315 -0.805
159 HD2 TYR 23 2HD TYR 23 0.369 0.528 -3.935
160 HE1 TYR 23 1HE TYR 23 -3.422 1.893 -1.108
161 HE2 TYR 23 2HE TYR 23 -0.652 2.746 -4.239
162 HH TYR 23 HH TYR 23 -3.223 3.900 -2.107
163 H GLY 24 H GLY 24 0.807 -3.628 -4.186
164 1HA GLY 24 2HA GLY 24 0.247 -6.306 -3.639
165 2HA GLY 24 1HA GLY 24 1.841 -5.676 -4.031
166 H ASN 25 H ASN 25 1.572 -3.882 -1.608
167 HA ASN 25 HA ASN 25 1.407 -5.468 0.688
168 1HB ASN 25 2HB ASN 25 4.100 -5.245 -0.592
169 2HB ASN 25 1HB ASN 25 3.992 -5.229 1.164
170 1HD2 ASN 25 1HD2 ASN 25 4.976 -7.179 -0.959
171 2HD2 ASN 25 2HD2 ASN 25 4.284 -8.687 -0.480
172 H ALA 26 H ALA 26 1.671 -4.278 2.573
173 HA ALA 26 HA ALA 26 1.122 -1.572 2.484
174 1HB ALA 26 1HB ALA 26 2.600 -2.866 4.766
175 2HB ALA 26 2HB ALA 26 0.885 -3.146 4.463
176 3HB ALA 26 3HB ALA 26 1.464 -1.519 4.825
177 H CYS 27 H CYS 27 4.132 -3.257 2.292
178 HA CYS 27 HA CYS 27 5.840 -1.034 2.838
179 1HB CYS 27 2HB CYS 27 6.208 -3.781 1.720
180 2HB CYS 27 1HB CYS 27 7.452 -2.582 1.409
181 H MET 28 H MET 28 4.546 -2.587 -0.036
182 HA MET 28 HA MET 28 5.911 -0.999 -1.919
183 1HB MET 28 2HB MET 28 3.320 -2.551 -2.091
184 2HB MET 28 1HB MET 28 4.157 -1.860 -3.477
185 1HG MET 28 2HG MET 28 6.052 -3.380 -2.036
186 2HG MET 28 1HG MET 28 4.595 -4.361 -2.174
187 1HE MET 28 1HE MET 28 3.226 -4.296 -4.267
188 2HE MET 28 2HE MET 28 3.960 -4.907 -5.750
189 3HE MET 28 3HE MET 28 3.693 -3.175 -5.547
190 H LEU 29 H LEU 29 3.378 -0.400 0.236
191 HA LEU 29 HA LEU 29 2.055 1.629 -1.238
192 1HB LEU 29 2HB LEU 29 1.677 0.248 1.196
193 2HB LEU 29 1HB LEU 29 1.728 1.965 1.569
194 HG LEU 29 HG LEU 29 -0.158 0.491 -0.204
195 1HD1 LEU 29 1HD1 LEU 29 -1.643 0.904 1.398
196 2HD1 LEU 29 2HD1 LEU 29 -1.175 2.602 1.489
197 3HD1 LEU 29 3HD1 LEU 29 -0.279 1.389 2.405
198 1HD2 LEU 29 1HD2 LEU 29 0.671 3.354 -0.326
199 2HD2 LEU 29 2HD2 LEU 29 -0.995 2.913 -0.688
200 3HD2 LEU 29 3HD2 LEU 29 0.325 2.232 -1.637
201 H LEU 30 H LEU 30 4.235 1.717 1.584
202 HA LEU 30 HA LEU 30 4.451 4.448 1.811
203 1HB LEU 30 2HB LEU 30 6.616 4.123 2.828
204 2HB LEU 30 1HB LEU 30 5.539 2.839 3.344
205 HG LEU 30 HG LEU 30 6.894 1.906 1.045
206 1HD1 LEU 30 1HD1 LEU 30 9.234 2.008 1.932
207 2HD1 LEU 30 2HD1 LEU 30 8.684 3.239 3.066
208 3HD1 LEU 30 3HD1 LEU 30 8.606 3.542 1.332
209 1HD2 LEU 30 1HD2 LEU 30 7.730 1.055 3.757
210 2HD2 LEU 30 2HD2 LEU 30 7.266 0.089 2.357
211 3HD2 LEU 30 3HD2 LEU 30 6.027 0.870 3.339
212 H GLY 31 H GLY 31 5.907 2.260 -0.513
213 1HA GLY 31 2HA GLY 31 7.554 4.275 -1.753
214 2HA GLY 31 1HA GLY 31 7.173 2.690 -2.415
215 H ALA 32 H ALA 32 4.311 3.095 -2.107
216 HA ALA 32 HA ALA 32 3.770 4.307 -4.623
217 1HB ALA 32 1HB ALA 32 1.476 3.706 -4.216
218 2HB ALA 32 2HB ALA 32 1.813 3.442 -2.505
219 3HB ALA 32 3HB ALA 32 2.517 2.373 -3.718
220 H SER 33 H SER 33 2.875 5.128 -1.286
221 HA SER 33 HA SER 33 1.571 7.536 -1.857
222 1HB SER 33 2HB SER 33 2.688 7.864 0.678
223 2HB SER 33 1HB SER 33 1.104 7.184 0.306
224 HG SER 33 HG SER 33 1.816 5.280 0.828
225 H CYS 34 H CYS 34 4.959 6.782 -1.759
226 HA CYS 34 HA CYS 34 5.799 9.498 -1.314
227 1HB CYS 34 2HB CYS 34 7.928 8.677 -1.224
228 2HB CYS 34 1HB CYS 34 7.054 7.182 -0.917
229 H ARG 35 H ARG 35 5.412 7.374 -4.093
230 HA ARG 35 HA ARG 35 6.193 9.561 -5.880
231 1HB ARG 35 2HB ARG 35 6.869 8.007 -7.380
232 2HB ARG 35 1HB ARG 35 6.934 6.977 -5.960
233 1HG ARG 35 2HG ARG 35 4.584 7.149 -7.831
234 2HG ARG 35 1HG ARG 35 5.848 5.923 -7.912
235 1HD ARG 35 2HD ARG 35 4.976 4.759 -6.215
236 2HD ARG 35 1HD ARG 35 4.665 6.208 -5.266
237 HE ARG 35 HE ARG 35 2.505 6.168 -5.992
238 1HH1 ARG 35 1HH1 ARG 35 4.440 4.223 -8.142
239 2HH1 ARG 35 2HH1 ARG 35 3.078 3.617 -9.024
240 1HH2 ARG 35 1HH2 ARG 35 0.708 5.375 -7.149
241 2HH2 ARG 35 2HH2 ARG 35 0.958 4.274 -8.464
242 H SER 36 H SER 36 3.471 8.746 -4.411
243 HA SER 36 HA SER 36 1.662 8.673 -6.651
244 1HB SER 36 2HB SER 36 1.082 7.451 -4.636
245 2HB SER 36 1HB SER 36 1.157 8.927 -3.678
246 HG SER 36 HG SER 36 -0.967 8.013 -4.692
247 H ASP 37 H ASP 37 0.897 10.732 -3.949
248 HA ASP 37 HA ASP 37 1.628 13.216 -4.986
249 1HB ASP 37 2HB ASP 37 -0.857 13.857 -5.585
250 2HB ASP 37 1HB ASP 37 0.198 13.126 -6.790
251 H THR 38 H THR 38 -0.629 11.312 -3.104
252 HA THR 38 HA THR 38 -0.619 13.427 -1.061
253 HB THR 38 HB THR 38 -3.045 11.917 -0.885
254 HG1 THR 38 1HG THR 38 -3.285 11.576 -2.963
255 1HG2 THR 38 1HG2 THR 38 -2.377 14.789 -1.389
256 2HG2 THR 38 2HG2 THR 38 -3.089 14.044 0.043
257 3HG2 THR 38 3HG2 THR 38 -4.042 14.209 -1.431
258 HA PRO 39 HA PRO 39 0.814 10.433 1.823
259 1HB PRO 39 2HB PRO 39 -1.246 11.557 3.658
260 2HB PRO 39 1HB PRO 39 0.490 11.340 3.909
261 1HG PRO 39 2HG PRO 39 -0.516 13.755 3.420
262 2HG PRO 39 1HG PRO 39 1.037 13.256 2.724
263 1HD PRO 39 2HD PRO 39 -1.642 13.480 1.423
264 2HD PRO 39 1HD PRO 39 -0.030 13.824 0.760
265 H ILE 40 H ILE 40 0.012 8.548 0.845
266 HA ILE 40 HA ILE 40 -2.689 7.676 1.128
267 HB ILE 40 HB ILE 40 -0.278 5.964 0.518
268 1HG1 ILE 40 2HG1 ILE 40 -2.022 7.607 -1.328
269 2HG1 ILE 40 1HG1 ILE 40 -0.297 7.814 -1.040
270 1HG2 ILE 40 1HG2 ILE 40 -2.094 4.723 -0.813
271 2HG2 ILE 40 2HG2 ILE 40 -3.234 5.616 0.194
272 3HG2 ILE 40 3HG2 ILE 40 -2.060 4.531 0.940
273 1HD1 ILE 40 1HD1 ILE 40 0.248 5.891 -2.238
274 2HD1 ILE 40 2HD1 ILE 40 -1.023 6.658 -3.190
275 3HD1 ILE 40 3HD1 ILE 40 -1.401 5.270 -2.168
276 H GLU 41 H GLU 41 -3.409 5.805 2.345
277 HA GLU 41 HA GLU 41 -1.742 5.180 4.693
278 1HB GLU 41 2HB GLU 41 -4.595 6.145 4.716
279 2HB GLU 41 1HB GLU 41 -3.898 5.258 6.064
280 1HG GLU 41 2HG GLU 41 -2.241 7.483 5.193
281 2HG GLU 41 1HG GLU 41 -3.850 7.979 5.715
282 H LEU 42 H LEU 42 -3.180 3.456 6.069
283 HA LEU 42 HA LEU 42 -3.899 1.341 4.146
284 1HB LEU 42 2HB LEU 42 -1.952 1.318 6.198
285 2HB LEU 42 1HB LEU 42 -3.257 0.274 6.731
286 HG LEU 42 HG LEU 42 -1.364 -0.834 5.445
287 1HD1 LEU 42 1HD1 LEU 42 -2.805 -2.475 5.020
288 2HD1 LEU 42 2HD1 LEU 42 -3.700 -1.500 3.855
289 3HD1 LEU 42 3HD1 LEU 42 -4.062 -1.372 5.577
290 1HD2 LEU 42 1HD2 LEU 42 -0.861 -0.216 3.370
291 2HD2 LEU 42 2HD2 LEU 42 -1.873 1.204 3.639
292 3HD2 LEU 42 3HD2 LEU 42 -2.556 -0.235 2.879
293 H VAL 43 H VAL 43 -5.744 0.141 4.506
294 HA VAL 43 HA VAL 43 -7.327 0.801 6.885
295 HB VAL 43 HB VAL 43 -8.698 0.614 4.227
296 1HG1 VAL 43 1HG1 VAL 43 -9.375 1.905 6.868
297 2HG1 VAL 43 2HG1 VAL 43 -10.101 0.455 6.175
298 3HG1 VAL 43 3HG1 VAL 43 -10.365 2.023 5.413
299 1HG2 VAL 43 1HG2 VAL 43 -6.868 2.390 4.214
300 2HG2 VAL 43 2HG2 VAL 43 -7.843 3.237 5.416
301 3HG2 VAL 43 3HG2 VAL 43 -8.503 2.916 3.812
302 H HIS 44 H HIS 44 -6.798 -1.352 4.141
303 HA HIS 44 HA HIS 44 -7.896 -3.540 5.765
304 1HB HIS 44 2HB HIS 44 -8.359 -3.708 2.845
305 2HB HIS 44 1HB HIS 44 -9.366 -4.256 4.182
306 HD1 HIS 44 1HD HIS 44 -10.238 -1.910 5.632
307 HD2 HIS 44 2HD HIS 44 -9.633 -1.738 1.525
308 HE1 HIS 44 1HE HIS 44 -11.556 0.078 4.841
309 HE2 HIS 44 2HE HIS 44 -11.244 0.112 2.341
310 H LYS 45 H LYS 45 -6.768 -5.399 5.719
311 HA LYS 45 HA LYS 45 -4.262 -5.389 4.221
312 1HB LYS 45 2HB LYS 45 -5.220 -7.234 6.416
313 2HB LYS 45 1HB LYS 45 -3.615 -7.246 5.697
314 1HG LYS 45 2HG LYS 45 -2.934 -5.430 6.854
315 2HG LYS 45 1HG LYS 45 -4.529 -4.674 6.818
316 1HD LYS 45 2HD LYS 45 -5.275 -5.857 8.663
317 2HD LYS 45 1HD LYS 45 -4.082 -7.140 8.447
318 1HE LYS 45 2HE LYS 45 -2.811 -4.585 8.890
319 2HE LYS 45 1HE LYS 45 -3.933 -4.975 10.193
320 1HZ LYS 45 1HZ LYS 45 -1.498 -5.805 10.299
321 2HZ LYS 45 2HZ LYS 45 -2.041 -7.020 9.253
322 3HZ LYS 45 3HZ LYS 45 -2.751 -6.836 10.777
323 H GLY 46 H GLY 46 -6.056 -5.725 2.386
324 1HA GLY 46 2HA GLY 46 -5.548 -8.271 1.289
325 2HA GLY 46 1HA GLY 46 -7.170 -8.257 1.965
326 H ARG 47 H ARG 47 -8.300 -8.379 0.065
327 HA ARG 47 HA ARG 47 -7.745 -6.461 -2.054
328 1HB ARG 47 2HB ARG 47 -10.103 -8.250 -2.232
329 2HB ARG 47 1HB ARG 47 -8.909 -7.838 -3.455
330 1HG ARG 47 2HG ARG 47 -7.292 -9.326 -2.325
331 2HG ARG 47 1HG ARG 47 -8.563 -9.792 -1.192
332 1HD ARG 47 2HD ARG 47 -9.201 -11.363 -2.627
333 2HD ARG 47 1HD ARG 47 -9.660 -10.090 -3.756
334 HE ARG 47 HE ARG 47 -7.268 -11.726 -3.842
335 1HH1 ARG 47 1HH1 ARG 47 -8.937 -8.902 -5.016
336 2HH1 ARG 47 2HH1 ARG 47 -7.988 -8.783 -6.461
337 1HH2 ARG 47 1HH2 ARG 47 -6.012 -11.575 -5.739
338 2HH2 ARG 47 2HH2 ARG 47 -6.324 -10.303 -6.871
339 H CYS 48 H CYS 48 -8.444 -5.009 0.034
340 HA CYS 48 HA CYS 48 -9.904 -3.478 0.869
341 1HB CYS 48 2HB CYS 48 -10.245 -3.584 -1.999
342 2HB CYS 48 1HB CYS 48 -11.736 -3.083 -1.206
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 14.138 14.008 -1.691
2 2H LYS 1 2HT LYS 1 13.486 15.261 -0.715
3 3H LYS 1 3HT LYS 1 13.506 15.422 -2.425
4 HA LYS 1 HA LYS 1 11.629 14.160 -0.724
5 1HB LYS 1 2HB LYS 1 11.713 15.854 -2.904
6 2HB LYS 1 1HB LYS 1 11.128 14.349 -3.602
7 1HG LYS 1 2HG LYS 1 9.908 15.736 -1.223
8 2HG LYS 1 1HG LYS 1 9.315 15.849 -2.882
9 1HD LYS 1 2HD LYS 1 9.141 13.311 -2.828
10 2HD LYS 1 1HD LYS 1 9.384 13.437 -1.084
11 1HE LYS 1 2HE LYS 1 7.290 15.124 -2.364
12 2HE LYS 1 1HE LYS 1 6.966 13.405 -2.136
13 1HZ LYS 1 1HZ LYS 1 8.029 14.867 0.153
14 2HZ LYS 1 2HZ LYS 1 6.881 13.625 0.100
15 3HZ LYS 1 3HZ LYS 1 6.433 15.209 -0.293
16 HA PRO 2 HA PRO 2 13.441 10.265 -2.634
17 1HB PRO 2 2HB PRO 2 13.868 8.934 -0.317
18 2HB PRO 2 1HB PRO 2 15.061 10.034 -1.017
19 1HG PRO 2 2HG PRO 2 13.096 10.527 1.188
20 2HG PRO 2 1HG PRO 2 14.805 10.989 1.090
21 1HD PRO 2 2HD PRO 2 12.787 12.725 0.578
22 2HD PRO 2 1HD PRO 2 14.363 12.823 -0.233
23 H ASP 3 H ASP 3 12.770 7.894 -1.606
24 HA ASP 3 HA ASP 3 9.878 7.896 -1.829
25 1HB ASP 3 2HB ASP 3 10.191 5.395 -1.906
26 2HB ASP 3 1HB ASP 3 11.000 6.289 -3.188
27 H CYS 4 H CYS 4 8.805 6.032 -0.402
28 HA CYS 4 HA CYS 4 9.209 6.885 2.331
29 1HB CYS 4 2HB CYS 4 7.135 5.156 1.055
30 2HB CYS 4 1HB CYS 4 7.211 5.415 2.783
31 HA PRO 5 HA PRO 5 10.483 2.350 2.791
32 1HB PRO 5 2HB PRO 5 9.981 0.596 0.870
33 2HB PRO 5 1HB PRO 5 8.651 1.323 1.776
34 1HG PRO 5 2HG PRO 5 9.533 1.831 -1.006
35 2HG PRO 5 1HG PRO 5 7.928 2.024 -0.286
36 1HD PRO 5 2HD PRO 5 9.968 4.031 -0.699
37 2HD PRO 5 1HD PRO 5 8.326 4.248 -0.059
38 H LEU 6 H LEU 6 11.736 0.386 1.407
39 HA LEU 6 HA LEU 6 13.689 1.344 -0.449
40 1HB LEU 6 2HB LEU 6 15.611 0.666 1.127
41 2HB LEU 6 1HB LEU 6 14.884 2.248 1.330
42 HG LEU 6 HG LEU 6 13.475 0.428 3.004
43 1HD1 LEU 6 1HD1 LEU 6 16.058 0.361 4.217
44 2HD1 LEU 6 2HD1 LEU 6 16.141 -0.404 2.629
45 3HD1 LEU 6 3HD1 LEU 6 14.978 -0.977 3.825
46 1HD2 LEU 6 1HD2 LEU 6 13.822 2.891 3.263
47 2HD2 LEU 6 2HD2 LEU 6 15.476 2.547 3.768
48 3HD2 LEU 6 3HD2 LEU 6 14.120 1.950 4.725
49 H ILE 7 H ILE 7 12.008 -0.574 -0.948
50 HA ILE 7 HA ILE 7 11.869 -2.703 -1.743
51 HB ILE 7 HB ILE 7 14.737 -2.894 -0.835
52 1HG1 ILE 7 2HG1 ILE 7 14.008 -2.887 -3.701
53 2HG1 ILE 7 1HG1 ILE 7 13.765 -1.369 -2.845
54 1HG2 ILE 7 1HG2 ILE 7 13.623 -4.738 -2.871
55 2HG2 ILE 7 2HG2 ILE 7 13.207 -5.040 -1.185
56 3HG2 ILE 7 3HG2 ILE 7 14.899 -5.001 -1.682
57 1HD1 ILE 7 1HD1 ILE 7 16.362 -2.843 -2.680
58 2HD1 ILE 7 2HD1 ILE 7 16.029 -1.140 -2.367
59 3HD1 ILE 7 3HD1 ILE 7 16.000 -1.756 -4.020
60 H CYS 8 H CYS 8 10.597 -4.083 -0.681
61 HA CYS 8 HA CYS 8 11.328 -4.795 2.068
62 1HB CYS 8 2HB CYS 8 8.934 -3.769 1.051
63 2HB CYS 8 1HB CYS 8 8.607 -5.438 1.484
64 H THR 9 H THR 9 8.990 -6.440 -0.010
65 HA THR 9 HA THR 9 10.695 -8.684 -0.491
66 HB THR 9 HB THR 9 10.359 -9.137 1.827
67 HG1 THR 9 1HG THR 9 10.118 -11.080 1.050
68 1HG2 THR 9 1HG2 THR 9 8.546 -7.862 2.528
69 2HG2 THR 9 2HG2 THR 9 7.975 -9.525 2.662
70 3HG2 THR 9 3HG2 THR 9 7.480 -8.529 1.293
71 H MET 10 H MET 10 9.093 -10.698 -0.947
72 HA MET 10 HA MET 10 7.092 -9.666 -2.842
73 1HB MET 10 2HB MET 10 8.694 -12.230 -2.870
74 2HB MET 10 1HB MET 10 7.388 -11.879 -3.992
75 1HG MET 10 2HG MET 10 9.795 -10.108 -3.700
76 2HG MET 10 1HG MET 10 9.735 -11.468 -4.820
77 1HE MET 10 1HE MET 10 7.300 -10.911 -7.289
78 2HE MET 10 2HE MET 10 8.738 -11.727 -6.673
79 3HE MET 10 3HE MET 10 8.903 -10.329 -7.735
80 H GLN 11 H GLN 11 6.957 -10.452 0.120
81 HA GLN 11 HA GLN 11 5.311 -12.761 0.286
82 1HB GLN 11 2HB GLN 11 6.326 -10.708 2.114
83 2HB GLN 11 1HB GLN 11 4.712 -11.268 2.527
84 1HG GLN 11 2HG GLN 11 5.461 -13.228 3.265
85 2HG GLN 11 1HG GLN 11 6.530 -13.441 1.882
86 1HE2 GLN 11 1HE2 GLN 11 6.480 -13.191 5.120
87 2HE2 GLN 11 2HE2 GLN 11 8.069 -12.577 5.405
88 H TYR 12 H TYR 12 4.132 -11.757 -1.681
89 HA TYR 12 HA TYR 12 2.424 -9.834 -1.988
90 1HB TYR 12 2HB TYR 12 2.379 -12.557 -2.760
91 2HB TYR 12 1HB TYR 12 0.743 -12.121 -2.276
92 HD1 TYR 12 1HD TYR 12 0.743 -9.243 -3.111
93 HD2 TYR 12 2HD TYR 12 2.158 -12.731 -5.096
94 HE1 TYR 12 1HE TYR 12 0.382 -8.147 -5.282
95 HE2 TYR 12 2HE TYR 12 1.802 -11.643 -7.272
96 HH TYR 12 HH TYR 12 0.133 -9.643 -8.077
97 H ASP 13 H ASP 13 1.666 -8.703 -0.285
98 HA ASP 13 HA ASP 13 -0.535 -9.936 1.221
99 1HB ASP 13 2HB ASP 13 1.918 -9.051 2.337
100 2HB ASP 13 1HB ASP 13 0.701 -7.858 2.781
101 HA PRO 14 HA PRO 14 -1.580 -6.185 -1.406
102 1HB PRO 14 2HB PRO 14 -4.147 -7.257 -1.781
103 2HB PRO 14 1HB PRO 14 -2.807 -7.319 -2.929
104 1HG PRO 14 2HG PRO 14 -3.721 -9.371 -0.966
105 2HG PRO 14 1HG PRO 14 -3.085 -9.588 -2.609
106 1HD PRO 14 2HD PRO 14 -1.560 -10.097 -0.485
107 2HD PRO 14 1HD PRO 14 -0.874 -9.296 -1.918
108 H VAL 15 H VAL 15 -1.808 -4.616 0.059
109 HA VAL 15 HA VAL 15 -4.043 -4.760 1.956
110 HB VAL 15 HB VAL 15 -2.837 -3.005 3.194
111 1HG1 VAL 15 1HG1 VAL 15 -0.705 -4.523 3.623
112 2HG1 VAL 15 2HG1 VAL 15 -1.651 -5.668 2.673
113 3HG1 VAL 15 3HG1 VAL 15 -2.316 -4.998 4.162
114 1HG2 VAL 15 1HG2 VAL 15 -1.629 -1.866 1.520
115 2HG2 VAL 15 2HG2 VAL 15 -0.819 -3.343 1.000
116 3HG2 VAL 15 3HG2 VAL 15 -0.420 -2.621 2.557
117 H CYS 16 H CYS 16 -5.685 -3.481 1.688
118 HA CYS 16 HA CYS 16 -5.754 -1.631 -0.500
119 1HB CYS 16 2HB CYS 16 -7.618 -3.105 1.012
120 2HB CYS 16 1HB CYS 16 -8.000 -1.413 1.225
121 H GLY 17 H GLY 17 -5.047 0.391 -0.365
122 1HA GLY 17 2HA GLY 17 -4.860 1.596 2.296
123 2HA GLY 17 1HA GLY 17 -3.938 2.089 0.889
124 H SER 18 H SER 18 -5.740 3.446 2.852
125 HA SER 18 HA SER 18 -8.113 4.298 1.789
126 1HB SER 18 2HB SER 18 -7.075 4.875 4.064
127 2HB SER 18 1HB SER 18 -6.234 6.175 3.218
128 HG SER 18 HG SER 18 -8.010 7.235 3.607
129 H ASP 19 H ASP 19 -8.119 4.545 -0.307
130 HA ASP 19 HA ASP 19 -7.708 7.000 -1.486
131 1HB ASP 19 2HB ASP 19 -5.260 5.534 -1.275
132 2HB ASP 19 1HB ASP 19 -5.722 5.589 -2.973
133 H GLY 20 H GLY 20 -7.854 3.544 -1.732
134 1HA GLY 20 2HA GLY 20 -9.778 2.621 -2.911
135 2HA GLY 20 1HA GLY 20 -9.477 3.811 -4.173
136 H ILE 21 H ILE 21 -6.799 2.182 -2.624
137 HA ILE 21 HA ILE 21 -6.582 0.448 -5.002
138 HB ILE 21 HB ILE 21 -4.636 2.487 -4.066
139 1HG1 ILE 21 2HG1 ILE 21 -4.197 2.642 -6.486
140 2HG1 ILE 21 1HG1 ILE 21 -5.286 1.286 -6.764
141 1HG2 ILE 21 1HG2 ILE 21 -3.761 -0.138 -5.266
142 2HG2 ILE 21 2HG2 ILE 21 -3.346 0.478 -3.667
143 3HG2 ILE 21 3HG2 ILE 21 -2.745 1.295 -5.110
144 1HD1 ILE 21 1HD1 ILE 21 -6.501 3.452 -5.251
145 2HD1 ILE 21 2HD1 ILE 21 -7.085 2.583 -6.672
146 3HD1 ILE 21 3HD1 ILE 21 -5.958 3.926 -6.859
147 H THR 22 H THR 22 -5.279 -1.379 -4.815
148 HA THR 22 HA THR 22 -4.895 -2.323 -2.048
149 HB THR 22 HB THR 22 -5.543 -3.869 -4.567
150 HG1 THR 22 1HG THR 22 -6.997 -3.938 -2.170
151 1HG2 THR 22 1HG2 THR 22 -5.162 -5.852 -3.565
152 2HG2 THR 22 2HG2 THR 22 -5.504 -5.230 -1.951
153 3HG2 THR 22 3HG2 THR 22 -3.946 -4.904 -2.710
154 H TYR 23 H TYR 23 -2.794 -1.820 -1.692
155 HA TYR 23 HA TYR 23 -0.804 -2.121 -3.720
156 1HB TYR 23 2HB TYR 23 -0.402 -1.565 -0.782
157 2HB TYR 23 1HB TYR 23 0.704 -1.209 -2.103
158 HD1 TYR 23 1HD TYR 23 -2.468 -0.261 -0.513
159 HD2 TYR 23 2HD TYR 23 0.324 0.674 -3.586
160 HE1 TYR 23 1HE TYR 23 -3.603 1.891 -0.882
161 HE2 TYR 23 2HE TYR 23 -0.797 2.835 -3.948
162 HH TYR 23 HH TYR 23 -2.802 4.246 -1.864
163 H GLY 24 H GLY 24 0.649 -3.618 -4.010
164 1HA GLY 24 2HA GLY 24 0.261 -6.249 -3.379
165 2HA GLY 24 1HA GLY 24 1.835 -5.581 -3.785
166 H ASN 25 H ASN 25 1.593 -3.806 -1.391
167 HA ASN 25 HA ASN 25 1.457 -5.333 0.944
168 1HB ASN 25 2HB ASN 25 4.146 -5.183 -0.364
169 2HB ASN 25 1HB ASN 25 4.036 -5.177 1.391
170 1HD2 ASN 25 1HD2 ASN 25 5.171 -7.146 -0.461
171 2HD2 ASN 25 2HD2 ASN 25 4.373 -8.636 -0.104
172 H ALA 26 H ALA 26 1.963 -4.136 2.827
173 HA ALA 26 HA ALA 26 1.412 -1.429 2.727
174 1HB ALA 26 1HB ALA 26 3.054 -1.876 4.999
175 2HB ALA 26 2HB ALA 26 2.089 -3.329 4.737
176 3HB ALA 26 3HB ALA 26 1.296 -1.765 4.925
177 H CYS 27 H CYS 27 4.391 -3.155 2.317
178 HA CYS 27 HA CYS 27 6.131 -0.895 2.593
179 1HB CYS 27 2HB CYS 27 6.515 -3.615 1.339
180 2HB CYS 27 1HB CYS 27 7.789 -2.419 1.511
181 H MET 28 H MET 28 4.639 -2.657 -0.063
182 HA MET 28 HA MET 28 5.860 -1.244 -2.162
183 1HB MET 28 2HB MET 28 3.212 -2.696 -1.999
184 2HB MET 28 1HB MET 28 3.918 -2.100 -3.496
185 1HG MET 28 2HG MET 28 5.948 -3.579 -2.299
186 2HG MET 28 1HG MET 28 4.483 -4.519 -2.026
187 1HE MET 28 1HE MET 28 6.969 -5.367 -5.232
188 2HE MET 28 2HE MET 28 6.184 -6.405 -4.043
189 3HE MET 28 3HE MET 28 7.135 -5.018 -3.511
190 H LEU 29 H LEU 29 3.387 -0.524 0.088
191 HA LEU 29 HA LEU 29 2.065 1.528 -1.318
192 1HB LEU 29 2HB LEU 29 1.933 0.321 1.245
193 2HB LEU 29 1HB LEU 29 2.083 2.054 1.477
194 HG LEU 29 HG LEU 29 -0.065 0.549 0.041
195 1HD1 LEU 29 1HD1 LEU 29 -1.514 1.608 1.578
196 2HD1 LEU 29 2HD1 LEU 29 -0.242 2.704 2.121
197 3HD1 LEU 29 3HD1 LEU 29 -0.153 0.986 2.511
198 1HD2 LEU 29 1HD2 LEU 29 -0.962 2.823 -0.549
199 2HD2 LEU 29 2HD2 LEU 29 0.452 2.316 -1.466
200 3HD2 LEU 29 3HD2 LEU 29 0.626 3.471 -0.151
201 H LEU 30 H LEU 30 4.594 1.602 1.180
202 HA LEU 30 HA LEU 30 5.101 4.252 1.360
203 1HB LEU 30 2HB LEU 30 6.954 1.883 1.282
204 2HB LEU 30 1HB LEU 30 7.561 3.500 1.577
205 HG LEU 30 HG LEU 30 5.546 3.366 3.368
206 1HD1 LEU 30 1HD1 LEU 30 5.505 0.842 2.596
207 2HD1 LEU 30 2HD1 LEU 30 5.230 1.303 4.275
208 3HD1 LEU 30 3HD1 LEU 30 6.815 0.717 3.768
209 1HD2 LEU 30 1HD2 LEU 30 7.382 4.125 4.401
210 2HD2 LEU 30 2HD2 LEU 30 8.453 3.137 3.407
211 3HD2 LEU 30 3HD2 LEU 30 7.671 2.438 4.824
212 H GLY 31 H GLY 31 6.051 2.036 -1.202
213 1HA GLY 31 2HA GLY 31 7.610 3.936 -2.656
214 2HA GLY 31 1HA GLY 31 6.935 2.446 -3.307
215 H ALA 32 H ALA 32 4.240 3.149 -2.522
216 HA ALA 32 HA ALA 32 3.522 4.680 -4.849
217 1HB ALA 32 1HB ALA 32 2.340 2.622 -3.998
218 2HB ALA 32 2HB ALA 32 1.309 3.994 -4.405
219 3HB ALA 32 3HB ALA 32 1.683 3.639 -2.717
220 H SER 33 H SER 33 3.230 5.084 -1.331
221 HA SER 33 HA SER 33 1.808 7.486 -1.350
222 1HB SER 33 2HB SER 33 2.555 5.820 0.604
223 2HB SER 33 1HB SER 33 3.813 7.039 0.801
224 HG SER 33 HG SER 33 2.346 8.089 1.868
225 H CYS 34 H CYS 34 5.316 6.911 -1.095
226 HA CYS 34 HA CYS 34 5.895 9.713 -1.137
227 1HB CYS 34 2HB CYS 34 7.536 7.221 -1.205
228 2HB CYS 34 1HB CYS 34 8.284 8.762 -1.614
229 H ARG 35 H ARG 35 5.540 7.301 -3.653
230 HA ARG 35 HA ARG 35 6.816 9.066 -5.601
231 1HB ARG 35 2HB ARG 35 5.669 6.290 -5.880
232 2HB ARG 35 1HB ARG 35 6.360 7.205 -7.210
233 1HG ARG 35 2HG ARG 35 7.734 6.045 -4.820
234 2HG ARG 35 1HG ARG 35 8.094 5.823 -6.534
235 1HD ARG 35 2HD ARG 35 8.667 8.181 -4.776
236 2HD ARG 35 1HD ARG 35 9.780 7.253 -5.780
237 HE ARG 35 HE ARG 35 7.987 8.374 -7.529
238 1HH1 ARG 35 1HH1 ARG 35 10.233 9.542 -5.139
239 2HH1 ARG 35 2HH1 ARG 35 10.500 11.054 -5.940
240 1HH2 ARG 35 1HH2 ARG 35 8.331 10.363 -8.595
241 2HH2 ARG 35 2HH2 ARG 35 9.419 11.521 -7.905
242 H SER 36 H SER 36 3.710 8.496 -4.382
243 HA SER 36 HA SER 36 2.280 9.060 -6.810
244 1HB SER 36 2HB SER 36 1.230 7.670 -5.125
245 2HB SER 36 1HB SER 36 1.367 8.953 -3.926
246 HG SER 36 HG SER 36 -0.589 9.376 -4.619
247 H ASP 37 H ASP 37 1.457 10.795 -3.903
248 HA ASP 37 HA ASP 37 2.641 13.260 -4.418
249 1HB ASP 37 2HB ASP 37 0.660 12.710 -6.309
250 2HB ASP 37 1HB ASP 37 -0.120 13.788 -5.156
251 H THR 38 H THR 38 -0.146 11.495 -3.261
252 HA THR 38 HA THR 38 -0.246 13.270 -0.913
253 HB THR 38 HB THR 38 -2.658 11.688 -1.483
254 HG1 THR 38 1HG THR 38 -3.232 13.413 -3.085
255 1HG2 THR 38 1HG2 THR 38 -2.829 14.604 -1.326
256 2HG2 THR 38 2HG2 THR 38 -2.122 13.823 0.088
257 3HG2 THR 38 3HG2 THR 38 -3.731 13.359 -0.464
258 HA PRO 39 HA PRO 39 1.092 9.683 1.340
259 1HB PRO 39 2HB PRO 39 -0.267 11.085 3.580
260 2HB PRO 39 1HB PRO 39 1.390 10.481 3.469
261 1HG PRO 39 2HG PRO 39 0.864 13.093 3.306
262 2HG PRO 39 1HG PRO 39 2.133 12.347 2.317
263 1HD PRO 39 2HD PRO 39 -0.610 13.228 1.535
264 2HD PRO 39 1HD PRO 39 0.904 13.298 0.612
265 H ILE 40 H ILE 40 -0.371 8.159 0.411
266 HA ILE 40 HA ILE 40 -3.101 8.004 1.120
267 HB ILE 40 HB ILE 40 -3.166 5.954 -0.008
268 1HG1 ILE 40 2HG1 ILE 40 -1.497 4.695 1.161
269 2HG1 ILE 40 1HG1 ILE 40 -1.078 4.663 -0.548
270 1HG2 ILE 40 1HG2 ILE 40 -2.688 6.852 -1.977
271 2HG2 ILE 40 2HG2 ILE 40 -0.956 6.707 -1.670
272 3HG2 ILE 40 3HG2 ILE 40 -1.831 8.139 -1.128
273 1HD1 ILE 40 1HD1 ILE 40 0.151 6.510 1.480
274 2HD1 ILE 40 2HD1 ILE 40 0.623 6.325 -0.209
275 3HD1 ILE 40 3HD1 ILE 40 0.862 4.994 0.924
276 H GLU 41 H GLU 41 -4.027 6.032 2.275
277 HA GLU 41 HA GLU 41 -2.374 5.425 4.645
278 1HB GLU 41 2HB GLU 41 -5.365 5.628 4.784
279 2HB GLU 41 1HB GLU 41 -4.187 5.739 6.087
280 1HG GLU 41 2HG GLU 41 -3.438 7.903 5.212
281 2HG GLU 41 1HG GLU 41 -4.649 7.793 3.935
282 H LEU 42 H LEU 42 -3.706 3.610 5.963
283 HA LEU 42 HA LEU 42 -4.272 1.439 4.055
284 1HB LEU 42 2HB LEU 42 -2.230 1.572 6.016
285 2HB LEU 42 1HB LEU 42 -3.413 0.411 6.589
286 HG LEU 42 HG LEU 42 -1.412 -0.389 5.123
287 1HD1 LEU 42 1HD1 LEU 42 -2.554 -2.297 4.937
288 2HD1 LEU 42 2HD1 LEU 42 -3.849 -1.544 4.006
289 3HD1 LEU 42 3HD1 LEU 42 -3.848 -1.429 5.765
290 1HD2 LEU 42 1HD2 LEU 42 -2.146 1.389 3.357
291 2HD2 LEU 42 2HD2 LEU 42 -3.295 0.141 2.872
292 3HD2 LEU 42 3HD2 LEU 42 -1.563 -0.192 2.837
293 H VAL 43 H VAL 43 -6.110 0.293 4.368
294 HA VAL 43 HA VAL 43 -7.667 0.927 6.786
295 HB VAL 43 HB VAL 43 -9.099 0.071 4.335
296 1HG1 VAL 43 1HG1 VAL 43 -9.666 2.131 6.464
297 2HG1 VAL 43 2HG1 VAL 43 -10.293 0.484 6.422
298 3HG1 VAL 43 3HG1 VAL 43 -10.772 1.641 5.182
299 1HG2 VAL 43 1HG2 VAL 43 -7.821 1.624 3.200
300 2HG2 VAL 43 2HG2 VAL 43 -7.641 2.665 4.612
301 3HG2 VAL 43 3HG2 VAL 43 -9.178 2.606 3.751
302 H HIS 44 H HIS 44 -7.134 -1.549 4.291
303 HA HIS 44 HA HIS 44 -7.487 -3.604 6.327
304 1HB HIS 44 2HB HIS 44 -8.890 -4.530 4.019
305 2HB HIS 44 1HB HIS 44 -9.500 -4.298 5.654
306 HD1 HIS 44 1HD HIS 44 -10.697 -2.024 6.156
307 HD2 HIS 44 2HD HIS 44 -9.637 -2.594 2.178
308 HE1 HIS 44 1HE HIS 44 -11.949 -0.264 4.867
309 HE2 HIS 44 2HE HIS 44 -11.301 -0.634 2.461
310 H LYS 45 H LYS 45 -5.989 -5.123 6.113
311 HA LYS 45 HA LYS 45 -4.174 -5.079 3.902
312 1HB LYS 45 2HB LYS 45 -4.400 -7.048 6.186
313 2HB LYS 45 1HB LYS 45 -3.045 -6.925 5.072
314 1HG LYS 45 2HG LYS 45 -2.910 -4.474 5.903
315 2HG LYS 45 1HG LYS 45 -3.867 -5.069 7.260
316 1HD LYS 45 2HD LYS 45 -2.139 -6.845 7.596
317 2HD LYS 45 1HD LYS 45 -1.160 -6.047 6.363
318 1HE LYS 45 2HE LYS 45 -1.052 -4.034 7.699
319 2HE LYS 45 1HE LYS 45 -2.136 -4.739 8.899
320 1HZ LYS 45 1HZ LYS 45 0.628 -5.598 8.252
321 2HZ LYS 45 2HZ LYS 45 -0.418 -6.490 9.238
322 3HZ LYS 45 3HZ LYS 45 0.069 -4.939 9.707
323 H GLY 46 H GLY 46 -6.066 -5.498 2.360
324 1HA GLY 46 2HA GLY 46 -5.810 -8.116 1.330
325 2HA GLY 46 1HA GLY 46 -7.348 -7.960 2.166
326 H ARG 47 H ARG 47 -8.182 -8.419 -0.027
327 HA ARG 47 HA ARG 47 -7.933 -6.309 -1.986
328 1HB ARG 47 2HB ARG 47 -9.905 -8.576 -2.110
329 2HB ARG 47 1HB ARG 47 -9.156 -7.699 -3.438
330 1HG ARG 47 2HG ARG 47 -6.960 -8.722 -2.313
331 2HG ARG 47 1HG ARG 47 -8.130 -9.953 -1.831
332 1HD ARG 47 2HD ARG 47 -7.998 -10.844 -3.862
333 2HD ARG 47 1HD ARG 47 -8.633 -9.348 -4.542
334 HE ARG 47 HE ARG 47 -5.771 -9.456 -4.008
335 1HH1 ARG 47 1HH1 ARG 47 -8.356 -9.674 -6.342
336 2HH1 ARG 47 2HH1 ARG 47 -7.325 -9.374 -7.699
337 1HH2 ARG 47 1HH2 ARG 47 -4.411 -9.066 -5.794
338 2HH2 ARG 47 2HH2 ARG 47 -5.085 -9.033 -7.390
339 H CYS 48 H CYS 48 -8.823 -5.065 0.153
340 HA CYS 48 HA CYS 48 -10.517 -3.876 1.127
341 1HB CYS 48 2HB CYS 48 -10.787 -3.691 -1.803
342 2HB CYS 48 1HB CYS 48 -12.180 -3.138 -0.878
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 2.197 11.204 8.157
2 2H LYS 1 2HT LYS 1 2.731 12.795 8.519
3 3H LYS 1 3HT LYS 1 3.748 11.452 8.844
4 HA LYS 1 HA LYS 1 2.804 11.900 6.131
5 1HB LYS 1 2HB LYS 1 4.137 13.870 7.646
6 2HB LYS 1 1HB LYS 1 5.359 13.150 6.606
7 1HG LYS 1 2HG LYS 1 4.015 13.629 4.647
8 2HG LYS 1 1HG LYS 1 2.733 14.286 5.667
9 1HD LYS 1 2HD LYS 1 4.022 16.104 4.751
10 2HD LYS 1 1HD LYS 1 4.325 16.000 6.486
11 1HE LYS 1 2HE LYS 1 6.481 15.299 6.208
12 2HE LYS 1 1HE LYS 1 6.140 14.507 4.670
13 1HZ LYS 1 1HZ LYS 1 6.969 17.222 5.202
14 2HZ LYS 1 2HZ LYS 1 5.717 17.090 4.072
15 3HZ LYS 1 3HZ LYS 1 7.178 16.277 3.814
16 HA PRO 2 HA PRO 2 5.474 8.156 6.802
17 1HB PRO 2 2HB PRO 2 4.305 6.854 4.662
18 2HB PRO 2 1HB PRO 2 3.772 6.713 6.339
19 1HG PRO 2 2HG PRO 2 2.680 8.415 4.137
20 2HG PRO 2 1HG PRO 2 1.813 7.508 5.391
21 1HD PRO 2 2HD PRO 2 2.149 10.164 5.560
22 2HD PRO 2 1HD PRO 2 2.198 9.129 7.004
23 H ASP 3 H ASP 3 6.490 6.834 4.787
24 HA ASP 3 HA ASP 3 7.096 8.305 2.451
25 1HB ASP 3 2HB ASP 3 8.462 9.293 4.615
26 2HB ASP 3 1HB ASP 3 9.614 8.134 3.956
27 H CYS 4 H CYS 4 8.566 7.232 1.061
28 HA CYS 4 HA CYS 4 8.326 4.657 0.575
29 1HB CYS 4 2HB CYS 4 11.133 5.016 0.246
30 2HB CYS 4 1HB CYS 4 9.877 5.079 -0.980
31 HA PRO 5 HA PRO 5 10.187 2.373 3.876
32 1HB PRO 5 2HB PRO 5 9.834 -0.079 2.905
33 2HB PRO 5 1HB PRO 5 8.445 0.949 3.279
34 1HG PRO 5 2HG PRO 5 9.617 0.241 0.639
35 2HG PRO 5 1HG PRO 5 7.931 0.569 1.071
36 1HD PRO 5 2HD PRO 5 9.788 2.370 -0.101
37 2HD PRO 5 1HD PRO 5 8.163 2.751 0.497
38 H LEU 6 H LEU 6 11.781 0.464 4.141
39 HA LEU 6 HA LEU 6 14.111 1.016 2.440
40 1HB LEU 6 2HB LEU 6 15.009 -0.509 4.554
41 2HB LEU 6 1HB LEU 6 15.122 1.236 4.417
42 HG LEU 6 HG LEU 6 12.840 1.326 5.551
43 1HD1 LEU 6 1HD1 LEU 6 12.825 -0.881 7.109
44 2HD1 LEU 6 2HD1 LEU 6 13.380 -1.563 5.581
45 3HD1 LEU 6 3HD1 LEU 6 11.850 -0.690 5.653
46 1HD2 LEU 6 1HD2 LEU 6 14.862 0.125 7.383
47 2HD2 LEU 6 2HD2 LEU 6 13.837 1.542 7.607
48 3HD2 LEU 6 3HD2 LEU 6 15.244 1.630 6.547
49 H ILE 7 H ILE 7 12.322 -0.551 1.204
50 HA ILE 7 HA ILE 7 12.172 -2.493 0.027
51 HB ILE 7 HB ILE 7 14.836 -3.000 1.338
52 1HG1 ILE 7 2HG1 ILE 7 14.337 -2.753 -1.604
53 2HG1 ILE 7 1HG1 ILE 7 14.359 -1.298 -0.612
54 1HG2 ILE 7 1HG2 ILE 7 14.834 -4.828 -0.601
55 2HG2 ILE 7 2HG2 ILE 7 13.113 -4.838 -0.215
56 3HG2 ILE 7 3HG2 ILE 7 14.301 -5.184 1.042
57 1HD1 ILE 7 1HD1 ILE 7 16.605 -1.640 0.007
58 2HD1 ILE 7 2HD1 ILE 7 16.523 -1.927 -1.731
59 3HD1 ILE 7 3HD1 ILE 7 16.601 -3.290 -0.614
60 H CYS 8 H CYS 8 10.360 -3.361 0.928
61 HA CYS 8 HA CYS 8 10.546 -4.805 3.441
62 1HB CYS 8 2HB CYS 8 8.497 -3.403 2.103
63 2HB CYS 8 1HB CYS 8 7.981 -5.077 2.230
64 H THR 9 H THR 9 8.642 -5.746 0.634
65 HA THR 9 HA THR 9 10.214 -7.996 -0.043
66 HB THR 9 HB THR 9 9.441 -8.847 2.100
67 HG1 THR 9 1HG THR 9 8.915 -10.757 1.320
68 1HG2 THR 9 1HG2 THR 9 6.618 -8.993 1.236
69 2HG2 THR 9 2HG2 THR 9 7.203 -7.456 1.871
70 3HG2 THR 9 3HG2 THR 9 7.311 -8.915 2.855
71 H MET 10 H MET 10 9.590 -8.852 -1.956
72 HA MET 10 HA MET 10 7.255 -7.636 -3.231
73 1HB MET 10 2HB MET 10 9.690 -9.055 -4.310
74 2HB MET 10 1HB MET 10 8.297 -8.692 -5.319
75 1HG MET 10 2HG MET 10 8.977 -6.609 -5.620
76 2HG MET 10 1HG MET 10 9.121 -6.347 -3.883
77 1HE MET 10 1HE MET 10 10.902 -4.909 -6.012
78 2HE MET 10 2HE MET 10 12.545 -5.077 -5.396
79 3HE MET 10 3HE MET 10 11.231 -4.655 -4.299
80 H GLN 11 H GLN 11 7.092 -9.759 -1.243
81 HA GLN 11 HA GLN 11 6.438 -12.180 -2.660
82 1HB GLN 11 2HB GLN 11 6.373 -11.305 0.199
83 2HB GLN 11 1HB GLN 11 5.470 -12.735 -0.277
84 1HG GLN 11 2HG GLN 11 8.022 -12.783 0.541
85 2HG GLN 11 1HG GLN 11 7.319 -13.979 -0.545
86 1HE2 GLN 11 1HE2 GLN 11 8.209 -14.251 -2.482
87 2HE2 GLN 11 2HE2 GLN 11 9.412 -13.231 -3.184
88 H TYR 12 H TYR 12 4.161 -11.354 -0.196
89 HA TYR 12 HA TYR 12 2.238 -10.145 -1.887
90 1HB TYR 12 2HB TYR 12 2.450 -12.946 -2.119
91 2HB TYR 12 1HB TYR 12 0.977 -12.622 -1.212
92 HD1 TYR 12 1HD TYR 12 -0.852 -11.347 -2.224
93 HD2 TYR 12 2HD TYR 12 2.652 -12.301 -4.440
94 HE1 TYR 12 1HE TYR 12 -2.022 -10.774 -4.309
95 HE2 TYR 12 2HE TYR 12 1.490 -11.732 -6.532
96 HH TYR 12 HH TYR 12 -1.632 -11.590 -6.919
97 H ASP 13 H ASP 13 1.685 -8.754 -0.381
98 HA ASP 13 HA ASP 13 0.197 -9.749 1.927
99 1HB ASP 13 2HB ASP 13 2.720 -8.840 2.329
100 2HB ASP 13 1HB ASP 13 1.838 -7.317 2.391
101 HA PRO 14 HA PRO 14 -1.506 -6.457 -1.104
102 1HB PRO 14 2HB PRO 14 -3.919 -7.903 -1.203
103 2HB PRO 14 1HB PRO 14 -2.680 -7.831 -2.459
104 1HG PRO 14 2HG PRO 14 -3.120 -9.880 -0.340
105 2HG PRO 14 1HG PRO 14 -2.564 -10.091 -2.012
106 1HD PRO 14 2HD PRO 14 -0.842 -10.242 0.011
107 2HD PRO 14 1HD PRO 14 -0.385 -9.416 -1.496
108 H VAL 15 H VAL 15 -2.034 -4.759 0.083
109 HA VAL 15 HA VAL 15 -4.185 -5.043 2.056
110 HB VAL 15 HB VAL 15 -3.042 -3.211 3.313
111 1HG1 VAL 15 1HG1 VAL 15 -1.989 -4.725 4.618
112 2HG1 VAL 15 2HG1 VAL 15 -1.051 -5.377 3.275
113 3HG1 VAL 15 3HG1 VAL 15 -2.728 -5.876 3.504
114 1HG2 VAL 15 1HG2 VAL 15 -0.884 -3.768 1.308
115 2HG2 VAL 15 2HG2 VAL 15 -0.553 -3.021 2.871
116 3HG2 VAL 15 3HG2 VAL 15 -1.623 -2.221 1.719
117 H CYS 16 H CYS 16 -5.771 -3.654 1.936
118 HA CYS 16 HA CYS 16 -5.920 -1.887 -0.315
119 1HB CYS 16 2HB CYS 16 -7.725 -3.246 1.367
120 2HB CYS 16 1HB CYS 16 -8.044 -1.537 1.543
121 H GLY 17 H GLY 17 -5.270 0.159 -0.325
122 1HA GLY 17 2HA GLY 17 -4.799 1.460 2.261
123 2HA GLY 17 1HA GLY 17 -4.024 1.897 0.750
124 H SER 18 H SER 18 -5.803 3.200 2.878
125 HA SER 18 HA SER 18 -8.214 3.992 1.840
126 1HB SER 18 2HB SER 18 -7.905 4.702 4.023
127 2HB SER 18 1HB SER 18 -6.263 5.257 3.716
128 HG SER 18 HG SER 18 -8.690 6.505 2.958
129 H ASP 19 H ASP 19 -8.288 4.363 -0.207
130 HA ASP 19 HA ASP 19 -7.934 6.861 -1.299
131 1HB ASP 19 2HB ASP 19 -5.494 6.403 -1.094
132 2HB ASP 19 1HB ASP 19 -5.695 4.990 -2.126
133 H GLY 20 H GLY 20 -8.026 3.419 -1.669
134 1HA GLY 20 2HA GLY 20 -9.963 2.508 -2.839
135 2HA GLY 20 1HA GLY 20 -9.696 3.736 -4.072
136 H ILE 21 H ILE 21 -7.082 1.945 -2.527
137 HA ILE 21 HA ILE 21 -6.818 0.353 -4.991
138 HB ILE 21 HB ILE 21 -4.673 2.086 -3.794
139 1HG1 ILE 21 2HG1 ILE 21 -6.468 2.900 -5.522
140 2HG1 ILE 21 1HG1 ILE 21 -4.777 3.342 -5.737
141 1HG2 ILE 21 1HG2 ILE 21 -3.152 1.130 -5.459
142 2HG2 ILE 21 2HG2 ILE 21 -4.410 -0.003 -5.953
143 3HG2 ILE 21 3HG2 ILE 21 -3.729 -0.095 -4.329
144 1HD1 ILE 21 1HD1 ILE 21 -5.664 0.842 -7.025
145 2HD1 ILE 21 2HD1 ILE 21 -4.548 2.085 -7.592
146 3HD1 ILE 21 3HD1 ILE 21 -6.288 2.351 -7.690
147 H THR 22 H THR 22 -5.746 -1.575 -4.839
148 HA THR 22 HA THR 22 -5.216 -2.538 -2.108
149 HB THR 22 HB THR 22 -5.857 -4.135 -4.598
150 HG1 THR 22 1HG THR 22 -7.834 -3.707 -4.109
151 1HG2 THR 22 1HG2 THR 22 -4.879 -4.926 -2.003
152 2HG2 THR 22 2HG2 THR 22 -5.094 -5.878 -3.472
153 3HG2 THR 22 3HG2 THR 22 -6.447 -5.650 -2.364
154 H TYR 23 H TYR 23 -3.103 -2.065 -1.833
155 HA TYR 23 HA TYR 23 -1.167 -2.463 -3.915
156 1HB TYR 23 2HB TYR 23 -0.687 -1.766 -1.019
157 2HB TYR 23 1HB TYR 23 0.376 -1.470 -2.387
158 HD1 TYR 23 1HD TYR 23 -0.209 0.256 -4.074
159 HD2 TYR 23 2HD TYR 23 -2.584 -0.346 -0.596
160 HE1 TYR 23 1HE TYR 23 -1.349 2.400 -4.480
161 HE2 TYR 23 2HE TYR 23 -3.725 1.795 -0.998
162 HH TYR 23 HH TYR 23 -2.715 4.141 -2.624
163 H GLY 24 H GLY 24 0.369 -3.964 -4.084
164 1HA GLY 24 2HA GLY 24 -0.034 -6.558 -3.278
165 2HA GLY 24 1HA GLY 24 1.541 -5.913 -3.719
166 H ASN 25 H ASN 25 1.520 -3.975 -1.567
167 HA ASN 25 HA ASN 25 1.345 -5.403 0.893
168 1HB ASN 25 2HB ASN 25 4.113 -4.594 -0.020
169 2HB ASN 25 1HB ASN 25 3.695 -5.371 1.501
170 1HD2 ASN 25 1HD2 ASN 25 5.109 -5.909 -1.317
171 2HD2 ASN 25 2HD2 ASN 25 4.768 -7.588 -1.535
172 H ALA 26 H ALA 26 1.428 -4.049 2.683
173 HA ALA 26 HA ALA 26 0.727 -1.377 2.331
174 1HB ALA 26 1HB ALA 26 1.994 -1.609 4.857
175 2HB ALA 26 2HB ALA 26 1.171 -3.134 4.533
176 3HB ALA 26 3HB ALA 26 0.267 -1.620 4.497
177 H CYS 27 H CYS 27 3.797 -2.954 2.559
178 HA CYS 27 HA CYS 27 5.375 -0.614 2.959
179 1HB CYS 27 2HB CYS 27 6.026 -3.399 1.999
180 2HB CYS 27 1HB CYS 27 7.233 -2.139 2.193
181 H MET 28 H MET 28 4.275 -2.497 0.201
182 HA MET 28 HA MET 28 5.807 -1.199 -1.769
183 1HB MET 28 2HB MET 28 3.083 -2.504 -1.965
184 2HB MET 28 1HB MET 28 4.081 -2.049 -3.341
185 1HG MET 28 2HG MET 28 5.641 -3.642 -1.566
186 2HG MET 28 1HG MET 28 4.106 -4.457 -1.871
187 1HE MET 28 1HE MET 28 4.096 -6.123 -3.160
188 2HE MET 28 2HE MET 28 5.013 -6.481 -4.623
189 3HE MET 28 3HE MET 28 3.560 -5.487 -4.716
190 H LEU 29 H LEU 29 3.197 -0.228 0.172
191 HA LEU 29 HA LEU 29 2.155 1.789 -1.548
192 1HB LEU 29 2HB LEU 29 1.554 0.690 1.039
193 2HB LEU 29 1HB LEU 29 1.574 2.444 1.124
194 HG LEU 29 HG LEU 29 -0.189 0.669 -0.503
195 1HD1 LEU 29 1HD1 LEU 29 -0.816 1.406 1.793
196 2HD1 LEU 29 2HD1 LEU 29 -1.949 1.887 0.531
197 3HD1 LEU 29 3HD1 LEU 29 -0.816 3.064 1.195
198 1HD2 LEU 29 1HD2 LEU 29 0.743 3.410 -1.128
199 2HD2 LEU 29 2HD2 LEU 29 -0.962 3.050 -1.378
200 3HD2 LEU 29 3HD2 LEU 29 0.271 2.105 -2.210
201 H LEU 30 H LEU 30 4.226 1.816 1.352
202 HA LEU 30 HA LEU 30 4.692 4.531 1.496
203 1HB LEU 30 2HB LEU 30 6.919 2.525 1.824
204 2HB LEU 30 1HB LEU 30 6.738 4.069 2.629
205 HG LEU 30 HG LEU 30 5.501 1.449 3.253
206 1HD1 LEU 30 1HD1 LEU 30 5.982 2.082 5.497
207 2HD1 LEU 30 2HD1 LEU 30 6.280 3.754 5.024
208 3HD1 LEU 30 3HD1 LEU 30 7.394 2.484 4.519
209 1HD2 LEU 30 1HD2 LEU 30 3.446 2.427 3.030
210 2HD2 LEU 30 2HD2 LEU 30 4.061 4.051 3.339
211 3HD2 LEU 30 3HD2 LEU 30 3.840 2.922 4.677
212 H GLY 31 H GLY 31 5.891 2.166 -0.764
213 1HA GLY 31 2HA GLY 31 7.798 3.931 -2.015
214 2HA GLY 31 1HA GLY 31 7.241 2.380 -2.639
215 H ALA 32 H ALA 32 4.444 3.077 -2.417
216 HA ALA 32 HA ALA 32 4.063 4.287 -4.962
217 1HB ALA 32 1HB ALA 32 1.703 4.187 -3.260
218 2HB ALA 32 2HB ALA 32 2.572 2.654 -3.324
219 3HB ALA 32 3HB ALA 32 2.009 3.412 -4.814
220 H SER 33 H SER 33 3.144 5.298 -1.663
221 HA SER 33 HA SER 33 2.262 7.871 -2.367
222 1HB SER 33 2HB SER 33 3.437 7.947 0.241
223 2HB SER 33 1HB SER 33 1.728 7.884 -0.187
224 HG SER 33 HG SER 33 3.382 5.903 0.730
225 H CYS 34 H CYS 34 5.394 6.511 -1.915
226 HA CYS 34 HA CYS 34 6.779 9.038 -1.736
227 1HB CYS 34 2HB CYS 34 7.733 7.147 -0.582
228 2HB CYS 34 1HB CYS 34 7.732 6.185 -2.053
229 H ARG 35 H ARG 35 5.520 7.053 -4.180
230 HA ARG 35 HA ARG 35 7.361 7.996 -6.229
231 1HB ARG 35 2HB ARG 35 5.351 5.844 -6.000
232 2HB ARG 35 1HB ARG 35 5.487 6.586 -7.588
233 1HG ARG 35 2HG ARG 35 6.903 4.523 -7.112
234 2HG ARG 35 1HG ARG 35 7.704 5.914 -7.845
235 1HD ARG 35 2HD ARG 35 7.838 6.227 -5.034
236 2HD ARG 35 1HD ARG 35 8.322 4.574 -5.409
237 HE ARG 35 HE ARG 35 9.564 6.647 -7.010
238 1HH1 ARG 35 1HH1 ARG 35 9.784 4.548 -4.239
239 2HH1 ARG 35 2HH1 ARG 35 11.506 4.687 -4.109
240 1HH2 ARG 35 1HH2 ARG 35 11.830 6.841 -6.844
241 2HH2 ARG 35 2HH2 ARG 35 12.667 5.993 -5.587
242 H SER 36 H SER 36 4.058 8.468 -5.134
243 HA SER 36 HA SER 36 3.500 10.197 -7.414
244 1HB SER 36 2HB SER 36 1.806 8.546 -6.706
245 2HB SER 36 1HB SER 36 1.694 9.343 -5.141
246 HG SER 36 HG SER 36 0.333 9.921 -7.289
247 H ASP 37 H ASP 37 1.767 11.121 -4.650
248 HA ASP 37 HA ASP 37 3.535 12.909 -3.412
249 1HB ASP 37 2HB ASP 37 3.108 14.979 -4.410
250 2HB ASP 37 1HB ASP 37 3.262 13.900 -5.794
251 H THR 38 H THR 38 1.341 11.065 -2.866
252 HA THR 38 HA THR 38 -0.230 12.828 -1.148
253 HB THR 38 HB THR 38 -1.578 10.648 -2.735
254 HG1 THR 38 1HG THR 38 -0.747 12.291 -4.141
255 1HG2 THR 38 1HG2 THR 38 -3.617 11.796 -2.200
256 2HG2 THR 38 2HG2 THR 38 -2.723 13.078 -1.383
257 3HG2 THR 38 3HG2 THR 38 -2.734 11.446 -0.714
258 HA PRO 39 HA PRO 39 1.172 9.518 1.533
259 1HB PRO 39 2HB PRO 39 0.117 10.583 3.815
260 2HB PRO 39 1HB PRO 39 1.649 11.108 3.109
261 1HG PRO 39 2HG PRO 39 -1.064 12.349 2.881
262 2HG PRO 39 1HG PRO 39 0.506 13.132 3.141
263 1HD PRO 39 2HD PRO 39 -0.678 13.078 0.722
264 2HD PRO 39 1HD PRO 39 1.087 12.991 0.908
265 H ILE 40 H ILE 40 -0.460 8.138 0.363
266 HA ILE 40 HA ILE 40 -3.137 7.970 1.149
267 HB ILE 40 HB ILE 40 -3.233 5.874 0.079
268 1HG1 ILE 40 2HG1 ILE 40 -1.063 5.089 1.377
269 2HG1 ILE 40 1HG1 ILE 40 -1.550 4.313 -0.124
270 1HG2 ILE 40 1HG2 ILE 40 -2.164 6.267 -2.049
271 2HG2 ILE 40 2HG2 ILE 40 -1.050 7.413 -1.305
272 3HG2 ILE 40 3HG2 ILE 40 -2.772 7.785 -1.391
273 1HD1 ILE 40 1HD1 ILE 40 0.876 4.839 0.062
274 2HD1 ILE 40 2HD1 ILE 40 0.448 6.548 0.012
275 3HD1 ILE 40 3HD1 ILE 40 0.081 5.507 -1.363
276 H GLU 41 H GLU 41 -4.062 5.987 2.317
277 HA GLU 41 HA GLU 41 -2.370 5.371 4.649
278 1HB GLU 41 2HB GLU 41 -5.149 6.439 4.547
279 2HB GLU 41 1HB GLU 41 -4.729 5.330 5.848
280 1HG GLU 41 2HG GLU 41 -2.665 6.959 6.084
281 2HG GLU 41 1HG GLU 41 -3.776 8.088 5.310
282 H LEU 42 H LEU 42 -3.739 3.594 6.019
283 HA LEU 42 HA LEU 42 -4.379 1.460 4.090
284 1HB LEU 42 2HB LEU 42 -2.344 1.537 6.062
285 2HB LEU 42 1HB LEU 42 -3.545 0.380 6.603
286 HG LEU 42 HG LEU 42 -1.681 -0.613 5.270
287 1HD1 LEU 42 1HD1 LEU 42 -4.502 -1.017 4.994
288 2HD1 LEU 42 2HD1 LEU 42 -3.196 -2.201 4.975
289 3HD1 LEU 42 3HD1 LEU 42 -3.687 -1.407 3.480
290 1HD2 LEU 42 1HD2 LEU 42 -1.657 -0.287 2.861
291 2HD2 LEU 42 2HD2 LEU 42 -1.387 1.244 3.695
292 3HD2 LEU 42 3HD2 LEU 42 -2.965 0.889 2.991
293 H VAL 43 H VAL 43 -6.194 0.271 4.428
294 HA VAL 43 HA VAL 43 -7.784 0.946 6.813
295 HB VAL 43 HB VAL 43 -9.623 0.047 4.968
296 1HG1 VAL 43 1HG1 VAL 43 -10.527 1.840 5.923
297 2HG1 VAL 43 2HG1 VAL 43 -9.649 2.823 4.750
298 3HG1 VAL 43 3HG1 VAL 43 -8.943 2.496 6.333
299 1HG2 VAL 43 1HG2 VAL 43 -7.490 1.639 3.577
300 2HG2 VAL 43 2HG2 VAL 43 -9.159 1.613 3.008
301 3HG2 VAL 43 3HG2 VAL 43 -8.229 0.116 3.080
302 H HIS 44 H HIS 44 -7.365 -1.566 4.321
303 HA HIS 44 HA HIS 44 -7.753 -3.580 6.428
304 1HB HIS 44 2HB HIS 44 -8.811 -4.485 3.884
305 2HB HIS 44 1HB HIS 44 -9.567 -4.487 5.474
306 HD1 HIS 44 1HD HIS 44 -10.957 -2.346 6.118
307 HD2 HIS 44 2HD HIS 44 -9.613 -2.456 2.187
308 HE1 HIS 44 1HE HIS 44 -12.271 -0.578 4.906
309 HE2 HIS 44 2HE HIS 44 -11.484 -0.703 2.517
310 H LYS 45 H LYS 45 -6.733 -5.598 6.051
311 HA LYS 45 HA LYS 45 -4.428 -5.372 4.270
312 1HB LYS 45 2HB LYS 45 -4.823 -7.664 6.150
313 2HB LYS 45 1HB LYS 45 -3.331 -6.896 5.626
314 1HG LYS 45 2HG LYS 45 -5.167 -5.215 7.209
315 2HG LYS 45 1HG LYS 45 -4.401 -6.559 8.058
316 1HD LYS 45 2HD LYS 45 -2.290 -5.694 7.807
317 2HD LYS 45 1HD LYS 45 -2.712 -4.812 6.338
318 1HE LYS 45 2HE LYS 45 -4.302 -3.571 8.137
319 2HE LYS 45 1HE LYS 45 -2.939 -4.013 9.166
320 1HZ LYS 45 1HZ LYS 45 -3.038 -1.803 7.663
321 2HZ LYS 45 2HZ LYS 45 -2.221 -2.850 6.615
322 3HZ LYS 45 3HZ LYS 45 -1.600 -2.544 8.158
323 H GLY 46 H GLY 46 -6.283 -5.691 2.552
324 1HA GLY 46 2HA GLY 46 -5.824 -8.133 1.281
325 2HA GLY 46 1HA GLY 46 -7.345 -8.276 2.149
326 H ARG 47 H ARG 47 -8.463 -8.512 0.175
327 HA ARG 47 HA ARG 47 -8.391 -6.360 -1.753
328 1HB ARG 47 2HB ARG 47 -10.390 -8.605 -1.719
329 2HB ARG 47 1HB ARG 47 -9.780 -7.700 -3.099
330 1HG ARG 47 2HG ARG 47 -7.545 -8.729 -2.692
331 2HG ARG 47 1HG ARG 47 -8.303 -9.747 -1.465
332 1HD ARG 47 2HD ARG 47 -9.850 -10.613 -3.180
333 2HD ARG 47 1HD ARG 47 -9.023 -9.640 -4.394
334 HE ARG 47 HE ARG 47 -8.049 -12.071 -3.135
335 1HH1 ARG 47 1HH1 ARG 47 -7.355 -9.311 -5.149
336 2HH1 ARG 47 2HH1 ARG 47 -5.968 -10.040 -5.889
337 1HH2 ARG 47 1HH2 ARG 47 -6.229 -13.037 -4.108
338 2HH2 ARG 47 2HH2 ARG 47 -5.329 -12.156 -5.298
339 H CYS 48 H CYS 48 -9.036 -5.090 0.416
340 HA CYS 48 HA CYS 48 -10.621 -3.944 1.609
341 1HB CYS 48 2HB CYS 48 -11.204 -3.689 -1.281
342 2HB CYS 48 1HB CYS 48 -12.434 -3.081 -0.176
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 12.790 5.550 -11.093
2 2H LYS 1 2HT LYS 1 13.432 5.966 -9.556
3 3H LYS 1 3HT LYS 1 12.719 7.173 -10.546
4 HA LYS 1 HA LYS 1 10.605 6.279 -10.294
5 1HB LYS 1 2HB LYS 1 12.192 3.944 -9.371
6 2HB LYS 1 1HB LYS 1 10.639 4.197 -8.588
7 1HG LYS 1 2HG LYS 1 9.832 4.432 -11.100
8 2HG LYS 1 1HG LYS 1 11.255 3.427 -11.379
9 1HD LYS 1 2HD LYS 1 10.422 1.779 -9.793
10 2HD LYS 1 1HD LYS 1 9.020 2.795 -9.456
11 1HE LYS 1 2HE LYS 1 9.396 2.242 -12.295
12 2HE LYS 1 1HE LYS 1 9.141 0.789 -11.329
13 1HZ LYS 1 1HZ LYS 1 7.120 1.777 -10.443
14 2HZ LYS 1 2HZ LYS 1 7.052 1.696 -12.132
15 3HZ LYS 1 3HZ LYS 1 7.367 3.172 -11.368
16 HA PRO 2 HA PRO 2 10.804 8.496 -6.427
17 1HB PRO 2 2HB PRO 2 8.316 9.412 -6.405
18 2HB PRO 2 1HB PRO 2 9.440 9.948 -7.665
19 1HG PRO 2 2HG PRO 2 7.338 7.808 -7.800
20 2HG PRO 2 1HG PRO 2 7.658 9.121 -8.949
21 1HD PRO 2 2HD PRO 2 8.590 6.568 -9.266
22 2HD PRO 2 1HD PRO 2 9.411 7.999 -9.923
23 H ASP 3 H ASP 3 10.547 5.695 -6.252
24 HA ASP 3 HA ASP 3 8.257 5.058 -4.618
25 1HB ASP 3 2HB ASP 3 9.994 3.578 -6.182
26 2HB ASP 3 1HB ASP 3 10.453 3.137 -4.540
27 H CYS 4 H CYS 4 8.104 5.366 -2.512
28 HA CYS 4 HA CYS 4 9.761 6.663 -0.876
29 1HB CYS 4 2HB CYS 4 7.612 4.768 -0.439
30 2HB CYS 4 1HB CYS 4 8.739 4.867 0.896
31 HA PRO 5 HA PRO 5 12.293 2.981 0.559
32 1HB PRO 5 2HB PRO 5 11.387 0.506 0.512
33 2HB PRO 5 1HB PRO 5 10.600 1.708 1.545
34 1HG PRO 5 2HG PRO 5 9.715 0.593 -1.080
35 2HG PRO 5 1HG PRO 5 8.745 1.038 0.334
36 1HD PRO 5 2HD PRO 5 9.214 2.623 -1.966
37 2HD PRO 5 1HD PRO 5 8.459 3.142 -0.448
38 H LEU 6 H LEU 6 13.152 0.558 -0.116
39 HA LEU 6 HA LEU 6 13.843 0.726 -2.977
40 1HB LEU 6 2HB LEU 6 15.514 0.730 -0.675
41 2HB LEU 6 1HB LEU 6 15.750 -0.804 -1.491
42 HG LEU 6 HG LEU 6 15.835 1.615 -3.197
43 1HD1 LEU 6 1HD1 LEU 6 17.548 2.640 -2.225
44 2HD1 LEU 6 2HD1 LEU 6 18.434 1.125 -2.056
45 3HD1 LEU 6 3HD1 LEU 6 17.282 1.614 -0.815
46 1HD2 LEU 6 1HD2 LEU 6 17.428 -0.936 -3.002
47 2HD2 LEU 6 2HD2 LEU 6 17.710 0.331 -4.197
48 3HD2 LEU 6 3HD2 LEU 6 16.181 -0.547 -4.186
49 H ILE 7 H ILE 7 11.625 -0.579 -2.580
50 HA ILE 7 HA ILE 7 10.580 -2.550 -3.033
51 HB ILE 7 HB ILE 7 13.418 -3.397 -3.470
52 1HG1 ILE 7 2HG1 ILE 7 11.580 -4.191 -5.501
53 2HG1 ILE 7 1HG1 ILE 7 11.212 -2.529 -5.048
54 1HG2 ILE 7 1HG2 ILE 7 12.704 -5.689 -3.965
55 2HG2 ILE 7 2HG2 ILE 7 11.081 -5.308 -3.391
56 3HG2 ILE 7 3HG2 ILE 7 12.441 -5.285 -2.269
57 1HD1 ILE 7 1HD1 ILE 7 12.741 -2.299 -6.764
58 2HD1 ILE 7 2HD1 ILE 7 13.723 -3.653 -6.206
59 3HD1 ILE 7 3HD1 ILE 7 13.737 -2.130 -5.318
60 H CYS 8 H CYS 8 10.048 -4.606 -2.000
61 HA CYS 8 HA CYS 8 11.200 -4.943 0.661
62 1HB CYS 8 2HB CYS 8 8.681 -3.805 0.180
63 2HB CYS 8 1HB CYS 8 8.396 -5.418 0.811
64 H THR 9 H THR 9 9.549 -6.885 1.591
65 HA THR 9 HA THR 9 10.563 -9.188 0.297
66 HB THR 9 HB THR 9 10.280 -9.482 2.579
67 HG1 THR 9 1HG THR 9 9.404 -11.311 1.874
68 1HG2 THR 9 1HG2 THR 9 7.956 -9.083 3.640
69 2HG2 THR 9 2HG2 THR 9 7.703 -8.020 2.255
70 3HG2 THR 9 3HG2 THR 9 9.037 -7.716 3.369
71 H MET 10 H MET 10 9.322 -10.957 -0.580
72 HA MET 10 HA MET 10 7.144 -9.983 -2.252
73 1HB MET 10 2HB MET 10 8.784 -12.518 -2.295
74 2HB MET 10 1HB MET 10 7.409 -12.249 -3.358
75 1HG MET 10 2HG MET 10 8.487 -10.624 -4.571
76 2HG MET 10 1HG MET 10 9.598 -10.233 -3.260
77 1HE MET 10 1HE MET 10 11.982 -10.446 -4.965
78 2HE MET 10 2HE MET 10 10.531 -10.215 -5.940
79 3HE MET 10 3HE MET 10 11.691 -11.472 -6.370
80 H GLN 11 H GLN 11 7.001 -10.730 0.708
81 HA GLN 11 HA GLN 11 5.294 -13.012 0.863
82 1HB GLN 11 2HB GLN 11 6.660 -11.404 2.693
83 2HB GLN 11 1HB GLN 11 4.961 -11.111 3.037
84 1HG GLN 11 2HG GLN 11 4.832 -13.735 2.936
85 2HG GLN 11 1HG GLN 11 6.551 -13.605 3.304
86 1HE2 GLN 11 1HE2 GLN 11 3.744 -14.175 4.708
87 2HE2 GLN 11 2HE2 GLN 11 3.994 -13.463 6.262
88 H TYR 12 H TYR 12 4.154 -11.931 -1.089
89 HA TYR 12 HA TYR 12 2.550 -9.974 -1.465
90 1HB TYR 12 2HB TYR 12 2.277 -12.730 -2.041
91 2HB TYR 12 1HB TYR 12 0.695 -12.147 -1.537
92 HD1 TYR 12 1HD TYR 12 3.511 -11.081 -3.766
93 HD2 TYR 12 2HD TYR 12 -0.696 -11.314 -3.167
94 HE1 TYR 12 1HE TYR 12 3.144 -10.125 -6.002
95 HE2 TYR 12 2HE TYR 12 -1.073 -10.360 -5.400
96 HH TYR 12 HH TYR 12 -0.091 -9.842 -7.373
97 H ASP 13 H ASP 13 1.893 -8.657 0.127
98 HA ASP 13 HA ASP 13 -0.221 -9.675 1.903
99 1HB ASP 13 2HB ASP 13 2.258 -8.487 2.647
100 2HB ASP 13 1HB ASP 13 0.988 -7.318 3.000
101 HA PRO 14 HA PRO 14 -1.546 -6.394 -1.236
102 1HB PRO 14 2HB PRO 14 -4.062 -7.666 -1.315
103 2HB PRO 14 1HB PRO 14 -2.792 -7.768 -2.538
104 1HG PRO 14 2HG PRO 14 -3.444 -9.646 -0.318
105 2HG PRO 14 1HG PRO 14 -2.851 -9.995 -1.953
106 1HD PRO 14 2HD PRO 14 -1.219 -10.146 0.151
107 2HD PRO 14 1HD PRO 14 -0.645 -9.470 -1.392
108 H VAL 15 H VAL 15 -1.862 -4.630 -0.024
109 HA VAL 15 HA VAL 15 -4.074 -4.675 1.903
110 HB VAL 15 HB VAL 15 -2.828 -2.918 3.131
111 1HG1 VAL 15 1HG1 VAL 15 -2.433 -5.669 3.151
112 2HG1 VAL 15 2HG1 VAL 15 -2.020 -4.533 4.437
113 3HG1 VAL 15 3HG1 VAL 15 -0.812 -4.981 3.231
114 1HG2 VAL 15 1HG2 VAL 15 -0.615 -3.614 1.214
115 2HG2 VAL 15 2HG2 VAL 15 -0.419 -2.642 2.672
116 3HG2 VAL 15 3HG2 VAL 15 -1.439 -2.062 1.355
117 H CYS 16 H CYS 16 -5.645 -3.374 1.499
118 HA CYS 16 HA CYS 16 -5.512 -1.515 -0.682
119 1HB CYS 16 2HB CYS 16 -7.521 -2.932 0.705
120 2HB CYS 16 1HB CYS 16 -7.864 -1.228 0.885
121 H GLY 17 H GLY 17 -4.760 0.481 -0.486
122 1HA GLY 17 2HA GLY 17 -4.568 1.622 2.194
123 2HA GLY 17 1HA GLY 17 -3.676 2.155 0.781
124 H SER 18 H SER 18 -5.529 3.363 2.858
125 HA SER 18 HA SER 18 -7.860 4.290 1.724
126 1HB SER 18 2HB SER 18 -6.518 6.333 3.320
127 2HB SER 18 1HB SER 18 -8.026 5.476 3.634
128 HG SER 18 HG SER 18 -6.423 5.015 5.205
129 H ASP 19 H ASP 19 -7.676 4.729 -0.320
130 HA ASP 19 HA ASP 19 -7.157 7.307 -1.207
131 1HB ASP 19 2HB ASP 19 -4.791 5.656 -1.084
132 2HB ASP 19 1HB ASP 19 -5.167 6.035 -2.762
133 H GLY 20 H GLY 20 -7.322 3.890 -1.830
134 1HA GLY 20 2HA GLY 20 -9.270 3.173 -3.145
135 2HA GLY 20 1HA GLY 20 -8.835 4.431 -4.295
136 H ILE 21 H ILE 21 -6.437 2.379 -2.694
137 HA ILE 21 HA ILE 21 -6.204 0.851 -5.195
138 HB ILE 21 HB ILE 21 -3.954 2.401 -3.943
139 1HG1 ILE 21 2HG1 ILE 21 -5.576 3.629 -5.427
140 2HG1 ILE 21 1HG1 ILE 21 -3.909 3.646 -5.993
141 1HG2 ILE 21 1HG2 ILE 21 -3.057 0.301 -4.614
142 2HG2 ILE 21 2HG2 ILE 21 -2.619 1.472 -5.858
143 3HG2 ILE 21 3HG2 ILE 21 -3.942 0.341 -6.138
144 1HD1 ILE 21 1HD1 ILE 21 -5.370 3.287 -7.852
145 2HD1 ILE 21 2HD1 ILE 21 -6.152 1.935 -7.033
146 3HD1 ILE 21 3HD1 ILE 21 -4.470 1.803 -7.544
147 H THR 22 H THR 22 -5.359 -1.154 -5.063
148 HA THR 22 HA THR 22 -4.863 -2.222 -2.369
149 HB THR 22 HB THR 22 -5.514 -3.662 -4.952
150 HG1 THR 22 1HG THR 22 -7.349 -2.700 -4.227
151 1HG2 THR 22 1HG2 THR 22 -4.158 -4.817 -2.991
152 2HG2 THR 22 2HG2 THR 22 -5.405 -5.663 -3.908
153 3HG2 THR 22 3HG2 THR 22 -5.781 -4.985 -2.323
154 H TYR 23 H TYR 23 -2.739 -1.843 -2.014
155 HA TYR 23 HA TYR 23 -0.770 -2.154 -4.061
156 1HB TYR 23 2HB TYR 23 -0.356 -1.720 -1.106
157 2HB TYR 23 1HB TYR 23 0.769 -1.356 -2.408
158 HD1 TYR 23 1HD TYR 23 0.416 0.586 -3.864
159 HD2 TYR 23 2HD TYR 23 -2.315 -0.325 -0.730
160 HE1 TYR 23 1HE TYR 23 -0.628 2.802 -4.128
161 HE2 TYR 23 2HE TYR 23 -3.359 1.886 -0.985
162 HH TYR 23 HH TYR 23 -3.192 3.899 -1.958
163 H GLY 24 H GLY 24 1.129 -3.455 -3.855
164 1HA GLY 24 2HA GLY 24 0.505 -6.197 -3.471
165 2HA GLY 24 1HA GLY 24 2.102 -5.540 -3.805
166 H ASN 25 H ASN 25 1.360 -3.806 -1.293
167 HA ASN 25 HA ASN 25 1.164 -5.232 0.977
168 1HB ASN 25 2HB ASN 25 3.660 -5.447 1.626
169 2HB ASN 25 1HB ASN 25 2.946 -6.688 0.601
170 1HD2 ASN 25 1HD2 ASN 25 4.772 -7.323 -0.420
171 2HD2 ASN 25 2HD2 ASN 25 5.683 -6.315 -1.487
172 H ALA 26 H ALA 26 1.832 -4.083 2.881
173 HA ALA 26 HA ALA 26 1.444 -1.373 2.794
174 1HB ALA 26 1HB ALA 26 1.578 -3.037 4.806
175 2HB ALA 26 2HB ALA 26 1.931 -1.325 5.047
176 3HB ALA 26 3HB ALA 26 3.250 -2.486 4.895
177 H CYS 27 H CYS 27 4.293 -3.184 2.112
178 HA CYS 27 HA CYS 27 6.144 -1.009 2.360
179 1HB CYS 27 2HB CYS 27 6.287 -3.771 1.199
180 2HB CYS 27 1HB CYS 27 7.533 -2.595 0.822
181 H MET 28 H MET 28 4.586 -2.694 -0.314
182 HA MET 28 HA MET 28 5.626 -1.096 -2.374
183 1HB MET 28 2HB MET 28 3.228 -2.883 -2.075
184 2HB MET 28 1HB MET 28 3.455 -1.944 -3.545
185 1HG MET 28 2HG MET 28 5.892 -3.297 -2.863
186 2HG MET 28 1HG MET 28 4.555 -4.445 -2.905
187 1HE MET 28 1HE MET 28 5.684 -5.770 -5.007
188 2HE MET 28 2HE MET 28 7.032 -4.658 -4.774
189 3HE MET 28 3HE MET 28 6.358 -4.901 -6.385
190 H LEU 29 H LEU 29 3.219 -0.612 0.004
191 HA LEU 29 HA LEU 29 1.654 1.325 -1.253
192 1HB LEU 29 2HB LEU 29 1.667 -0.020 1.152
193 2HB LEU 29 1HB LEU 29 1.917 1.658 1.605
194 HG LEU 29 HG LEU 29 -0.404 0.388 0.268
195 1HD1 LEU 29 1HD1 LEU 29 -0.251 2.566 2.335
196 2HD1 LEU 29 2HD1 LEU 29 -0.245 0.849 2.737
197 3HD1 LEU 29 3HD1 LEU 29 -1.640 1.560 1.923
198 1HD2 LEU 29 1HD2 LEU 29 -1.169 2.807 -0.171
199 2HD2 LEU 29 2HD2 LEU 29 -0.032 2.078 -1.298
200 3HD2 LEU 29 3HD2 LEU 29 0.545 3.210 -0.083
201 H LEU 30 H LEU 30 4.190 1.783 1.248
202 HA LEU 30 HA LEU 30 4.130 4.558 1.119
203 1HB LEU 30 2HB LEU 30 6.338 4.554 2.109
204 2HB LEU 30 1HB LEU 30 5.354 3.310 2.859
205 HG LEU 30 HG LEU 30 7.003 2.442 0.589
206 1HD1 LEU 30 1HD1 LEU 30 8.632 2.359 2.945
207 2HD1 LEU 30 2HD1 LEU 30 8.186 4.029 2.597
208 3HD1 LEU 30 3HD1 LEU 30 8.998 3.060 1.371
209 1HD2 LEU 30 1HD2 LEU 30 7.338 0.503 2.016
210 2HD2 LEU 30 2HD2 LEU 30 5.625 0.900 1.910
211 3HD2 LEU 30 3HD2 LEU 30 6.542 1.330 3.352
212 H GLY 31 H GLY 31 5.480 2.158 -0.978
213 1HA GLY 31 2HA GLY 31 7.160 3.861 -2.518
214 2HA GLY 31 1HA GLY 31 6.507 2.311 -3.033
215 H ALA 32 H ALA 32 3.789 3.120 -2.447
216 HA ALA 32 HA ALA 32 3.153 4.359 -4.961
217 1HB ALA 32 1HB ALA 32 1.752 2.567 -4.286
218 2HB ALA 32 2HB ALA 32 0.790 4.037 -4.129
219 3HB ALA 32 3HB ALA 32 1.490 3.284 -2.696
220 H SER 33 H SER 33 2.553 5.096 -1.533
221 HA SER 33 HA SER 33 1.349 7.572 -1.839
222 1HB SER 33 2HB SER 33 1.278 6.959 0.367
223 2HB SER 33 1HB SER 33 2.891 6.246 0.328
224 HG SER 33 HG SER 33 2.581 8.290 1.549
225 H CYS 34 H CYS 34 4.747 6.690 -1.925
226 HA CYS 34 HA CYS 34 5.726 9.377 -1.950
227 1HB CYS 34 2HB CYS 34 6.843 6.676 -2.101
228 2HB CYS 34 1HB CYS 34 7.718 7.850 -3.076
229 H ARG 35 H ARG 35 4.851 7.027 -4.414
230 HA ARG 35 HA ARG 35 5.963 8.507 -6.587
231 1HB ARG 35 2HB ARG 35 5.305 6.775 -7.913
232 2HB ARG 35 1HB ARG 35 5.235 5.957 -6.360
233 1HG ARG 35 2HG ARG 35 2.776 6.624 -6.307
234 2HG ARG 35 1HG ARG 35 2.970 7.018 -8.015
235 1HD ARG 35 2HD ARG 35 3.584 4.341 -6.769
236 2HD ARG 35 1HD ARG 35 2.103 4.732 -7.638
237 HE ARG 35 HE ARG 35 4.744 4.303 -8.779
238 1HH1 ARG 35 1HH1 ARG 35 1.444 5.315 -9.273
239 2HH1 ARG 35 2HH1 ARG 35 1.501 5.094 -10.988
240 1HH2 ARG 35 1HH2 ARG 35 4.824 4.012 -11.035
241 2HH2 ARG 35 2HH2 ARG 35 3.421 4.354 -11.991
242 H SER 36 H SER 36 2.914 8.560 -4.906
243 HA SER 36 HA SER 36 1.572 10.058 -6.978
244 1HB SER 36 2HB SER 36 0.264 8.523 -5.641
245 2HB SER 36 1HB SER 36 0.753 9.335 -4.157
246 HG SER 36 HG SER 36 -0.939 10.530 -4.461
247 H ASP 37 H ASP 37 1.229 11.063 -3.655
248 HA ASP 37 HA ASP 37 2.992 13.223 -3.597
249 1HB ASP 37 2HB ASP 37 1.802 14.176 -5.450
250 2HB ASP 37 1HB ASP 37 0.248 13.882 -4.675
251 H THR 38 H THR 38 -0.102 11.886 -2.646
252 HA THR 38 HA THR 38 0.015 13.336 -0.101
253 HB THR 38 HB THR 38 -2.295 11.969 0.077
254 HG1 THR 38 1HG THR 38 -2.295 10.967 -1.856
255 1HG2 THR 38 1HG2 THR 38 -3.402 13.912 -0.292
256 2HG2 THR 38 2HG2 THR 38 -2.434 14.330 -1.706
257 3HG2 THR 38 3HG2 THR 38 -1.768 14.545 -0.086
258 HA PRO 39 HA PRO 39 1.469 9.824 2.141
259 1HB PRO 39 2HB PRO 39 -0.167 10.690 4.421
260 2HB PRO 39 1HB PRO 39 1.590 10.617 4.269
261 1HG PRO 39 2HG PRO 39 0.261 12.957 4.336
262 2HG PRO 39 1HG PRO 39 1.735 12.736 3.376
263 1HD PRO 39 2HD PRO 39 -1.125 12.745 2.485
264 2HD PRO 39 1HD PRO 39 0.300 13.469 1.711
265 H ILE 40 H ILE 40 0.090 8.402 0.763
266 HA ILE 40 HA ILE 40 -2.498 7.661 1.153
267 HB ILE 40 HB ILE 40 -0.189 5.784 0.635
268 1HG1 ILE 40 2HG1 ILE 40 -2.082 7.177 -1.272
269 2HG1 ILE 40 1HG1 ILE 40 -0.403 7.627 -0.997
270 1HG2 ILE 40 1HG2 ILE 40 -1.967 4.403 1.271
271 2HG2 ILE 40 2HG2 ILE 40 -2.045 4.432 -0.491
272 3HG2 ILE 40 3HG2 ILE 40 -3.161 5.415 0.458
273 1HD1 ILE 40 1HD1 ILE 40 -0.202 4.980 -1.643
274 2HD1 ILE 40 2HD1 ILE 40 0.034 6.331 -2.750
275 3HD1 ILE 40 3HD1 ILE 40 -1.532 5.527 -2.662
276 H GLU 41 H GLU 41 -3.574 6.028 2.371
277 HA GLU 41 HA GLU 41 -2.206 5.327 4.890
278 1HB GLU 41 2HB GLU 41 -5.051 6.232 4.467
279 2HB GLU 41 1HB GLU 41 -4.494 5.479 5.955
280 1HG GLU 41 2HG GLU 41 -2.698 7.351 5.921
281 2HG GLU 41 1HG GLU 41 -3.814 8.151 4.816
282 H LEU 42 H LEU 42 -3.818 3.624 6.078
283 HA LEU 42 HA LEU 42 -4.306 1.494 4.102
284 1HB LEU 42 2HB LEU 42 -2.553 1.490 6.317
285 2HB LEU 42 1HB LEU 42 -3.889 0.431 6.733
286 HG LEU 42 HG LEU 42 -1.792 -0.557 5.554
287 1HD1 LEU 42 1HD1 LEU 42 -3.113 -2.327 5.384
288 2HD1 LEU 42 2HD1 LEU 42 -3.967 -1.612 4.017
289 3HD1 LEU 42 3HD1 LEU 42 -4.500 -1.274 5.664
290 1HD2 LEU 42 1HD2 LEU 42 -1.564 -0.326 3.289
291 2HD2 LEU 42 2HD2 LEU 42 -2.138 1.287 3.715
292 3HD2 LEU 42 3HD2 LEU 42 -3.258 0.099 3.049
293 H VAL 43 H VAL 43 -6.085 0.147 4.398
294 HA VAL 43 HA VAL 43 -7.978 0.934 6.501
295 HB VAL 43 HB VAL 43 -9.178 0.205 3.903
296 1HG1 VAL 43 1HG1 VAL 43 -9.766 1.976 6.221
297 2HG1 VAL 43 2HG1 VAL 43 -10.778 0.756 5.446
298 3HG1 VAL 43 3HG1 VAL 43 -10.534 2.323 4.671
299 1HG2 VAL 43 1HG2 VAL 43 -7.820 1.634 2.781
300 2HG2 VAL 43 2HG2 VAL 43 -7.406 2.551 4.229
301 3HG2 VAL 43 3HG2 VAL 43 -8.950 2.825 3.424
302 H HIS 44 H HIS 44 -7.121 -1.456 4.036
303 HA HIS 44 HA HIS 44 -7.967 -3.571 5.872
304 1HB HIS 44 2HB HIS 44 -8.668 -4.215 3.115
305 2HB HIS 44 1HB HIS 44 -9.621 -4.385 4.584
306 HD1 HIS 44 1HD HIS 44 -10.706 -1.986 5.428
307 HD2 HIS 44 2HD HIS 44 -9.617 -2.322 1.432
308 HE1 HIS 44 1HE HIS 44 -11.952 -0.155 4.234
309 HE2 HIS 44 2HE HIS 44 -11.219 -0.332 1.831
310 H LYS 45 H LYS 45 -6.663 -5.319 5.863
311 HA LYS 45 HA LYS 45 -4.295 -5.196 4.182
312 1HB LYS 45 2HB LYS 45 -3.364 -6.870 5.652
313 2HB LYS 45 1HB LYS 45 -4.105 -5.607 6.625
314 1HG LYS 45 2HG LYS 45 -5.428 -7.072 7.628
315 2HG LYS 45 1HG LYS 45 -6.011 -7.685 6.079
316 1HD LYS 45 2HD LYS 45 -4.484 -9.392 6.025
317 2HD LYS 45 1HD LYS 45 -3.300 -8.508 6.991
318 1HE LYS 45 2HE LYS 45 -4.601 -10.538 8.012
319 2HE LYS 45 1HE LYS 45 -4.278 -9.101 8.982
320 1HZ LYS 45 1HZ LYS 45 -6.466 -8.385 8.781
321 2HZ LYS 45 2HZ LYS 45 -6.626 -10.053 9.004
322 3HZ LYS 45 3HZ LYS 45 -6.793 -9.388 7.458
323 H GLY 46 H GLY 46 -5.864 -5.672 2.320
324 1HA GLY 46 2HA GLY 46 -5.349 -8.242 1.337
325 2HA GLY 46 1HA GLY 46 -6.983 -8.233 1.987
326 H ARG 47 H ARG 47 -7.782 -8.623 -0.133
327 HA ARG 47 HA ARG 47 -7.358 -6.597 -2.163
328 1HB ARG 47 2HB ARG 47 -9.501 -8.511 -2.678
329 2HB ARG 47 1HB ARG 47 -8.059 -8.161 -3.620
330 1HG ARG 47 2HG ARG 47 -6.835 -9.541 -1.802
331 2HG ARG 47 1HG ARG 47 -8.448 -10.152 -1.428
332 1HD ARG 47 2HD ARG 47 -8.276 -11.588 -3.112
333 2HD ARG 47 1HD ARG 47 -8.158 -10.234 -4.235
334 HE ARG 47 HE ARG 47 -5.636 -10.453 -3.332
335 1HH1 ARG 47 1HH1 ARG 47 -7.886 -12.791 -4.596
336 2HH1 ARG 47 2HH1 ARG 47 -6.653 -13.809 -5.264
337 1HH2 ARG 47 1HH2 ARG 47 -4.004 -11.786 -4.203
338 2HH2 ARG 47 2HH2 ARG 47 -4.443 -13.238 -5.037
339 H CYS 48 H CYS 48 -8.344 -5.242 -0.149
340 HA CYS 48 HA CYS 48 -10.054 -3.969 0.665
341 1HB CYS 48 2HB CYS 48 -10.106 -3.901 -2.243
342 2HB CYS 48 1HB CYS 48 -11.676 -3.529 -1.545
Start of MODEL 20
1 1H LYS 1 1HT LYS 1 14.575 11.321 2.112
2 2H LYS 1 2HT LYS 1 15.526 10.468 0.966
3 3H LYS 1 3HT LYS 1 16.091 10.667 2.571
4 HA LYS 1 HA LYS 1 14.788 8.539 1.593
5 1HB LYS 1 2HB LYS 1 14.504 8.087 4.131
6 2HB LYS 1 1HB LYS 1 16.124 8.308 3.488
7 1HG LYS 1 2HG LYS 1 14.842 10.777 4.404
8 2HG LYS 1 1HG LYS 1 15.125 9.578 5.667
9 1HD LYS 1 2HD LYS 1 17.481 9.527 4.273
10 2HD LYS 1 1HD LYS 1 17.026 11.229 4.179
11 1HE LYS 1 2HE LYS 1 17.090 11.502 6.483
12 2HE LYS 1 1HE LYS 1 16.913 9.776 6.792
13 1HZ LYS 1 1HZ LYS 1 19.205 9.693 5.567
14 2HZ LYS 1 2HZ LYS 1 19.121 10.060 7.215
15 3HZ LYS 1 3HZ LYS 1 19.312 11.301 6.082
16 HA PRO 2 HA PRO 2 10.684 10.935 1.884
17 1HB PRO 2 2HB PRO 2 10.362 9.232 -0.543
18 2HB PRO 2 1HB PRO 2 9.845 10.898 -0.259
19 1HG PRO 2 2HG PRO 2 11.974 10.394 -1.767
20 2HG PRO 2 1HG PRO 2 11.968 11.763 -0.638
21 1HD PRO 2 2HD PRO 2 13.319 9.110 -0.396
22 2HD PRO 2 1HD PRO 2 13.870 10.712 0.134
23 H ASP 3 H ASP 3 8.532 9.448 1.013
24 HA ASP 3 HA ASP 3 8.310 7.507 3.121
25 1HB ASP 3 2HB ASP 3 6.527 9.179 1.886
26 2HB ASP 3 1HB ASP 3 6.111 7.612 1.199
27 H CYS 4 H CYS 4 10.239 6.598 1.417
28 HA CYS 4 HA CYS 4 8.895 4.358 0.059
29 1HB CYS 4 2HB CYS 4 11.198 6.060 -0.730
30 2HB CYS 4 1HB CYS 4 11.312 4.347 -1.119
31 HA PRO 5 HA PRO 5 11.361 1.937 2.874
32 1HB PRO 5 2HB PRO 5 10.059 -0.355 2.520
33 2HB PRO 5 1HB PRO 5 9.229 1.050 3.198
34 1HG PRO 5 2HG PRO 5 8.968 -0.172 0.521
35 2HG PRO 5 1HG PRO 5 7.814 0.830 1.416
36 1HD PRO 5 2HD PRO 5 9.705 1.630 -0.637
37 2HD PRO 5 1HD PRO 5 8.450 2.605 0.146
38 H LEU 6 H LEU 6 12.654 2.375 0.375
39 HA LEU 6 HA LEU 6 13.918 1.319 -1.277
40 1HB LEU 6 2HB LEU 6 14.933 0.626 1.444
41 2HB LEU 6 1HB LEU 6 15.738 -0.055 0.042
42 HG LEU 6 HG LEU 6 15.290 2.901 0.213
43 1HD1 LEU 6 1HD1 LEU 6 17.711 1.524 1.346
44 2HD1 LEU 6 2HD1 LEU 6 16.356 2.062 2.340
45 3HD1 LEU 6 3HD1 LEU 6 17.294 3.237 1.418
46 1HD2 LEU 6 1HD2 LEU 6 16.442 1.170 -1.648
47 2HD2 LEU 6 2HD2 LEU 6 17.798 1.967 -0.849
48 3HD2 LEU 6 3HD2 LEU 6 16.540 2.930 -1.623
49 H ILE 7 H ILE 7 11.637 -0.066 -1.364
50 HA ILE 7 HA ILE 7 10.774 -2.031 -2.124
51 HB ILE 7 HB ILE 7 13.688 -2.771 -2.178
52 1HG1 ILE 7 2HG1 ILE 7 12.735 -1.270 -3.927
53 2HG1 ILE 7 1HG1 ILE 7 13.368 -2.779 -4.576
54 1HG2 ILE 7 1HG2 ILE 7 12.485 -4.799 -1.550
55 2HG2 ILE 7 2HG2 ILE 7 13.087 -4.916 -3.203
56 3HG2 ILE 7 3HG2 ILE 7 11.381 -4.579 -2.908
57 1HD1 ILE 7 1HD1 ILE 7 11.387 -3.373 -5.391
58 2HD1 ILE 7 2HD1 ILE 7 10.912 -1.697 -5.113
59 3HD1 ILE 7 3HD1 ILE 7 10.544 -2.930 -3.906
60 H CYS 8 H CYS 8 10.298 -4.247 -1.420
61 HA CYS 8 HA CYS 8 11.144 -4.862 1.302
62 1HB CYS 8 2HB CYS 8 8.630 -3.766 0.667
63 2HB CYS 8 1HB CYS 8 8.370 -5.450 1.081
64 H THR 9 H THR 9 9.488 -6.934 1.798
65 HA THR 9 HA THR 9 10.708 -9.054 0.371
66 HB THR 9 HB THR 9 10.172 -9.509 2.610
67 HG1 THR 9 1HG THR 9 9.180 -11.353 2.334
68 1HG2 THR 9 1HG2 THR 9 7.403 -9.412 2.895
69 2HG2 THR 9 2HG2 THR 9 7.846 -7.899 2.103
70 3HG2 THR 9 3HG2 THR 9 8.596 -8.344 3.637
71 H MET 10 H MET 10 9.114 -10.950 -0.294
72 HA MET 10 HA MET 10 7.238 -9.804 -2.255
73 1HB MET 10 2HB MET 10 9.199 -10.971 -3.235
74 2HB MET 10 1HB MET 10 8.715 -12.441 -2.401
75 1HG MET 10 2HG MET 10 7.531 -12.973 -4.187
76 2HG MET 10 1HG MET 10 6.448 -11.638 -3.796
77 1HE MET 10 1HE MET 10 7.641 -13.191 -6.604
78 2HE MET 10 2HE MET 10 7.565 -11.869 -7.770
79 3HE MET 10 3HE MET 10 6.191 -12.191 -6.712
80 H GLN 11 H GLN 11 6.701 -10.498 0.539
81 HA GLN 11 HA GLN 11 5.141 -12.919 0.499
82 1HB GLN 11 2HB GLN 11 6.079 -11.018 2.502
83 2HB GLN 11 1HB GLN 11 4.409 -11.501 2.771
84 1HG GLN 11 2HG GLN 11 6.780 -13.338 2.513
85 2HG GLN 11 1HG GLN 11 5.919 -12.934 3.998
86 1HE2 GLN 11 1HE2 GLN 11 6.293 -15.547 3.091
87 2HE2 GLN 11 2HE2 GLN 11 4.752 -16.214 2.683
88 H TYR 12 H TYR 12 4.061 -11.866 -1.467
89 HA TYR 12 HA TYR 12 2.403 -9.953 -1.898
90 1HB TYR 12 2HB TYR 12 2.256 -12.714 -2.518
91 2HB TYR 12 1HB TYR 12 0.635 -12.185 -2.082
92 HD1 TYR 12 1HD TYR 12 -0.684 -11.593 -3.864
93 HD2 TYR 12 2HD TYR 12 3.492 -10.808 -4.079
94 HE1 TYR 12 1HE TYR 12 -0.986 -10.645 -6.112
95 HE2 TYR 12 2HE TYR 12 3.200 -9.855 -6.328
96 HH TYR 12 HH TYR 12 0.175 -9.062 -7.616
97 H ASP 13 H ASP 13 1.756 -8.744 -0.163
98 HA ASP 13 HA ASP 13 -0.491 -9.849 1.386
99 1HB ASP 13 2HB ASP 13 1.946 -8.867 2.402
100 2HB ASP 13 1HB ASP 13 0.757 -7.603 2.707
101 HA PRO 14 HA PRO 14 -1.632 -6.309 -1.512
102 1HB PRO 14 2HB PRO 14 -4.175 -7.487 -1.779
103 2HB PRO 14 1HB PRO 14 -2.859 -7.551 -2.954
104 1HG PRO 14 2HG PRO 14 -3.659 -9.546 -0.890
105 2HG PRO 14 1HG PRO 14 -3.023 -9.810 -2.525
106 1HD PRO 14 2HD PRO 14 -1.465 -10.157 -0.388
107 2HD PRO 14 1HD PRO 14 -0.820 -9.399 -1.863
108 H VAL 15 H VAL 15 -1.780 -4.736 0.043
109 HA VAL 15 HA VAL 15 -4.068 -4.855 1.875
110 HB VAL 15 HB VAL 15 -2.884 -3.186 3.199
111 1HG1 VAL 15 1HG1 VAL 15 -1.613 -4.711 4.268
112 2HG1 VAL 15 2HG1 VAL 15 -0.720 -5.137 2.808
113 3HG1 VAL 15 3HG1 VAL 15 -2.322 -5.817 3.092
114 1HG2 VAL 15 1HG2 VAL 15 -1.316 -2.926 0.800
115 2HG2 VAL 15 2HG2 VAL 15 -0.284 -3.202 2.204
116 3HG2 VAL 15 3HG2 VAL 15 -1.419 -1.853 2.196
117 H CYS 16 H CYS 16 -5.684 -3.570 1.584
118 HA CYS 16 HA CYS 16 -5.682 -1.673 -0.565
119 1HB CYS 16 2HB CYS 16 -7.600 -3.167 0.866
120 2HB CYS 16 1HB CYS 16 -7.981 -1.477 1.090
121 H GLY 17 H GLY 17 -5.095 0.385 -0.387
122 1HA GLY 17 2HA GLY 17 -4.834 1.484 2.307
123 2HA GLY 17 1HA GLY 17 -4.025 2.095 0.878
124 H SER 18 H SER 18 -5.869 3.182 3.023
125 HA SER 18 HA SER 18 -8.308 3.934 2.033
126 1HB SER 18 2HB SER 18 -6.716 5.974 3.525
127 2HB SER 18 1HB SER 18 -8.393 5.480 3.748
128 HG SER 18 HG SER 18 -6.658 4.783 5.336
129 H ASP 19 H ASP 19 -8.383 4.345 -0.007
130 HA ASP 19 HA ASP 19 -8.131 6.875 -1.048
131 1HB ASP 19 2HB ASP 19 -6.185 6.623 -2.580
132 2HB ASP 19 1HB ASP 19 -5.708 6.644 -0.885
133 H GLY 20 H GLY 20 -8.034 3.435 -1.485
134 1HA GLY 20 2HA GLY 20 -9.911 2.429 -2.661
135 2HA GLY 20 1HA GLY 20 -9.753 3.709 -3.858
136 H ILE 21 H ILE 21 -6.984 2.046 -2.437
137 HA ILE 21 HA ILE 21 -6.699 0.551 -4.960
138 HB ILE 21 HB ILE 21 -4.570 2.291 -3.741
139 1HG1 ILE 21 2HG1 ILE 21 -6.320 3.451 -5.086
140 2HG1 ILE 21 1HG1 ILE 21 -4.708 3.570 -5.786
141 1HG2 ILE 21 1HG2 ILE 21 -3.423 0.400 -4.515
142 2HG2 ILE 21 2HG2 ILE 21 -3.301 1.561 -5.837
143 3HG2 ILE 21 3HG2 ILE 21 -4.466 0.240 -5.929
144 1HD1 ILE 21 1HD1 ILE 21 -7.000 2.809 -7.090
145 2HD1 ILE 21 2HD1 ILE 21 -6.182 1.278 -6.779
146 3HD1 ILE 21 3HD1 ILE 21 -5.349 2.562 -7.656
147 H THR 22 H THR 22 -5.774 -1.409 -4.842
148 HA THR 22 HA THR 22 -5.061 -2.407 -2.176
149 HB THR 22 HB THR 22 -5.811 -3.833 -4.735
150 HG1 THR 22 1HG THR 22 -7.109 -4.097 -2.266
151 1HG2 THR 22 1HG2 THR 22 -4.793 -5.655 -4.013
152 2HG2 THR 22 2HG2 THR 22 -5.877 -5.651 -2.621
153 3HG2 THR 22 3HG2 THR 22 -4.307 -4.853 -2.519
154 H TYR 23 H TYR 23 -2.960 -2.000 -1.831
155 HA TYR 23 HA TYR 23 -1.028 -2.163 -3.954
156 1HB TYR 23 2HB TYR 23 -0.550 -1.666 -1.017
157 2HB TYR 23 1HB TYR 23 0.492 -1.234 -2.367
158 HD1 TYR 23 1HD TYR 23 -2.588 -0.410 -0.574
159 HD2 TYR 23 2HD TYR 23 -0.072 0.637 -3.840
160 HE1 TYR 23 1HE TYR 23 -3.817 1.702 -0.837
161 HE2 TYR 23 2HE TYR 23 -1.286 2.763 -4.095
162 HH TYR 23 HH TYR 23 -3.327 3.792 -3.554
163 H GLY 24 H GLY 24 0.617 -3.542 -4.173
164 1HA GLY 24 2HA GLY 24 0.250 -6.227 -3.575
165 2HA GLY 24 1HA GLY 24 1.786 -5.515 -4.045
166 H ASN 25 H ASN 25 1.378 -3.752 -1.545
167 HA ASN 25 HA ASN 25 1.439 -5.299 0.736
168 1HB ASN 25 2HB ASN 25 3.984 -5.251 -0.771
169 2HB ASN 25 1HB ASN 25 4.111 -4.965 0.963
170 1HD2 ASN 25 1HD2 ASN 25 5.304 -7.137 -0.086
171 2HD2 ASN 25 2HD2 ASN 25 4.461 -8.574 0.371
172 H ALA 26 H ALA 26 1.928 -4.111 2.618
173 HA ALA 26 HA ALA 26 1.351 -1.406 2.543
174 1HB ALA 26 1HB ALA 26 2.825 -3.022 4.618
175 2HB ALA 26 2HB ALA 26 1.122 -2.563 4.609
176 3HB ALA 26 3HB ALA 26 2.365 -1.336 4.853
177 H CYS 27 H CYS 27 4.349 -3.108 2.125
178 HA CYS 27 HA CYS 27 6.057 -0.828 2.399
179 1HB CYS 27 2HB CYS 27 6.435 -3.574 1.225
180 2HB CYS 27 1HB CYS 27 7.683 -2.341 1.152
181 H MET 28 H MET 28 4.489 -2.527 -0.265
182 HA MET 28 HA MET 28 5.751 -1.094 -2.344
183 1HB MET 28 2HB MET 28 3.127 -2.589 -2.192
184 2HB MET 28 1HB MET 28 3.744 -1.883 -3.681
185 1HG MET 28 2HG MET 28 5.871 -3.363 -2.694
186 2HG MET 28 1HG MET 28 4.456 -4.361 -2.373
187 1HE MET 28 1HE MET 28 7.071 -3.393 -4.329
188 2HE MET 28 2HE MET 28 6.569 -3.095 -5.995
189 3HE MET 28 3HE MET 28 6.978 -4.730 -5.476
190 H LEU 29 H LEU 29 3.190 -0.428 -0.153
191 HA LEU 29 HA LEU 29 1.902 1.625 -1.556
192 1HB LEU 29 2HB LEU 29 1.672 0.351 0.936
193 2HB LEU 29 1HB LEU 29 1.861 2.063 1.273
194 HG LEU 29 HG LEU 29 -0.314 0.657 -0.181
195 1HD1 LEU 29 1HD1 LEU 29 -0.104 1.612 2.324
196 2HD1 LEU 29 2HD1 LEU 29 -1.629 1.490 1.446
197 3HD1 LEU 29 3HD1 LEU 29 -0.763 3.026 1.500
198 1HD2 LEU 29 1HD2 LEU 29 -1.072 2.976 -0.896
199 2HD2 LEU 29 2HD2 LEU 29 0.248 2.269 -1.812
200 3HD2 LEU 29 3HD2 LEU 29 0.582 3.493 -0.598
201 H LEU 30 H LEU 30 4.327 1.767 1.043
202 HA LEU 30 HA LEU 30 4.642 4.500 1.148
203 1HB LEU 30 2HB LEU 30 7.054 2.727 1.218
204 2HB LEU 30 1HB LEU 30 6.716 4.153 2.175
205 HG LEU 30 HG LEU 30 5.599 1.387 2.515
206 1HD1 LEU 30 1HD1 LEU 30 7.258 1.226 3.977
207 2HD1 LEU 30 2HD1 LEU 30 6.489 2.500 4.923
208 3HD1 LEU 30 3HD1 LEU 30 7.709 2.911 3.718
209 1HD2 LEU 30 1HD2 LEU 30 4.314 2.400 4.429
210 2HD2 LEU 30 2HD2 LEU 30 3.714 2.798 2.819
211 3HD2 LEU 30 3HD2 LEU 30 4.662 3.979 3.724
212 H GLY 31 H GLY 31 5.962 2.168 -1.131
213 1HA GLY 31 2HA GLY 31 7.643 3.911 -2.576
214 2HA GLY 31 1HA GLY 31 6.895 2.452 -3.221
215 H ALA 32 H ALA 32 4.242 3.314 -2.583
216 HA ALA 32 HA ALA 32 3.630 4.754 -4.966
217 1HB ALA 32 1HB ALA 32 1.469 4.130 -4.577
218 2HB ALA 32 2HB ALA 32 1.606 4.355 -2.832
219 3HB ALA 32 3HB ALA 32 2.299 2.923 -3.596
220 H SER 33 H SER 33 3.043 5.459 -1.513
221 HA SER 33 HA SER 33 2.159 8.076 -1.853
222 1HB SER 33 2HB SER 33 1.879 6.950 0.270
223 2HB SER 33 1HB SER 33 3.625 6.818 0.476
224 HG SER 33 HG SER 33 3.744 8.903 0.976
225 H CYS 34 H CYS 34 5.430 6.895 -1.131
226 HA CYS 34 HA CYS 34 6.679 9.407 -1.114
227 1HB CYS 34 2HB CYS 34 8.269 8.058 -0.325
228 2HB CYS 34 1HB CYS 34 7.492 6.641 -0.998
229 H ARG 35 H ARG 35 5.716 7.391 -3.807
230 HA ARG 35 HA ARG 35 7.177 9.205 -5.616
231 1HB ARG 35 2HB ARG 35 6.223 6.375 -5.959
232 2HB ARG 35 1HB ARG 35 6.704 7.365 -7.330
233 1HG ARG 35 2HG ARG 35 8.915 7.356 -6.742
234 2HG ARG 35 1HG ARG 35 8.570 7.121 -5.027
235 1HD ARG 35 2HD ARG 35 8.893 4.941 -5.257
236 2HD ARG 35 1HD ARG 35 7.581 4.866 -6.433
237 HE ARG 35 HE ARG 35 9.564 5.683 -7.982
238 1HH1 ARG 35 1HH1 ARG 35 9.525 3.211 -5.529
239 2HH1 ARG 35 2HH1 ARG 35 10.752 2.255 -6.290
240 1HH2 ARG 35 1HH2 ARG 35 11.182 4.430 -8.993
241 2HH2 ARG 35 2HH2 ARG 35 11.692 2.946 -8.259
242 H SER 36 H SER 36 4.257 9.179 -4.333
243 HA SER 36 HA SER 36 2.821 9.667 -6.836
244 1HB SER 36 2HB SER 36 1.859 8.026 -5.271
245 2HB SER 36 1HB SER 36 1.732 9.273 -4.040
246 HG SER 36 HG SER 36 0.587 9.831 -6.512
247 H ASP 37 H ASP 37 1.647 11.048 -3.876
248 HA ASP 37 HA ASP 37 2.845 13.577 -3.995
249 1HB ASP 37 2HB ASP 37 1.102 13.228 -6.112
250 2HB ASP 37 1HB ASP 37 0.105 14.050 -4.915
251 H THR 38 H THR 38 0.010 11.660 -3.251
252 HA THR 38 HA THR 38 -0.391 13.255 -0.807
253 HB THR 38 HB THR 38 -2.415 13.410 -1.948
254 HG1 THR 38 1HG THR 38 -2.989 10.995 -0.648
255 1HG2 THR 38 1HG2 THR 38 -1.820 10.673 -2.939
256 2HG2 THR 38 2HG2 THR 38 -2.363 12.103 -3.817
257 3HG2 THR 38 3HG2 THR 38 -3.501 11.192 -2.823
258 HA PRO 39 HA PRO 39 1.044 9.643 1.343
259 1HB PRO 39 2HB PRO 39 0.373 10.405 3.851
260 2HB PRO 39 1HB PRO 39 1.737 11.114 2.977
261 1HG PRO 39 2HG PRO 39 -1.046 12.177 3.324
262 2HG PRO 39 1HG PRO 39 0.501 13.032 3.476
263 1HD PRO 39 2HD PRO 39 -1.018 13.187 1.245
264 2HD PRO 39 1HD PRO 39 0.756 13.239 1.188
265 H ILE 40 H ILE 40 -0.675 8.333 0.304
266 HA ILE 40 HA ILE 40 -3.278 8.098 1.229
267 HB ILE 40 HB ILE 40 -3.394 6.020 0.134
268 1HG1 ILE 40 2HG1 ILE 40 -1.202 5.223 1.382
269 2HG1 ILE 40 1HG1 ILE 40 -1.714 4.470 -0.118
270 1HG2 ILE 40 1HG2 ILE 40 -2.898 7.995 -1.300
271 2HG2 ILE 40 2HG2 ILE 40 -2.440 6.448 -2.012
272 3HG2 ILE 40 3HG2 ILE 40 -1.206 7.495 -1.311
273 1HD1 ILE 40 1HD1 ILE 40 0.075 5.204 -1.239
274 2HD1 ILE 40 2HD1 ILE 40 0.772 5.396 0.369
275 3HD1 ILE 40 3HD1 ILE 40 0.051 6.781 -0.451
276 H GLU 41 H GLU 41 -4.079 5.939 2.317
277 HA GLU 41 HA GLU 41 -2.338 5.353 4.621
278 1HB GLU 41 2HB GLU 41 -5.295 5.956 4.737
279 2HB GLU 41 1HB GLU 41 -4.336 5.369 6.087
280 1HG GLU 41 2HG GLU 41 -2.889 7.418 5.779
281 2HG GLU 41 1HG GLU 41 -4.142 8.016 4.692
282 H LEU 42 H LEU 42 -3.616 3.518 5.974
283 HA LEU 42 HA LEU 42 -4.195 1.390 4.022
284 1HB LEU 42 2HB LEU 42 -2.305 1.481 6.132
285 2HB LEU 42 1HB LEU 42 -3.546 0.330 6.594
286 HG LEU 42 HG LEU 42 -1.645 -0.733 5.430
287 1HD1 LEU 42 1HD1 LEU 42 -3.511 -1.327 3.389
288 2HD1 LEU 42 2HD1 LEU 42 -4.411 -1.032 4.877
289 3HD1 LEU 42 3HD1 LEU 42 -3.139 -2.253 4.842
290 1HD2 LEU 42 1HD2 LEU 42 -2.470 0.288 2.802
291 2HD2 LEU 42 2HD2 LEU 42 -0.864 -0.095 3.421
292 3HD2 LEU 42 3HD2 LEU 42 -1.621 1.445 3.827
293 H VAL 43 H VAL 43 -6.097 0.340 4.159
294 HA VAL 43 HA VAL 43 -7.835 1.033 6.429
295 HB VAL 43 HB VAL 43 -9.580 0.108 4.583
296 1HG1 VAL 43 1HG1 VAL 43 -9.180 2.418 5.897
297 2HG1 VAL 43 2HG1 VAL 43 -10.416 2.201 4.657
298 3HG1 VAL 43 3HG1 VAL 43 -8.872 2.946 4.242
299 1HG2 VAL 43 1HG2 VAL 43 -7.281 1.335 3.084
300 2HG2 VAL 43 2HG2 VAL 43 -8.920 1.273 2.435
301 3HG2 VAL 43 3HG2 VAL 43 -8.060 -0.223 2.805
302 H HIS 44 H HIS 44 -7.168 -1.596 4.125
303 HA HIS 44 HA HIS 44 -7.527 -3.515 6.291
304 1HB HIS 44 2HB HIS 44 -8.802 -4.707 4.072
305 2HB HIS 44 1HB HIS 44 -9.529 -4.227 5.601
306 HD1 HIS 44 1HD HIS 44 -10.935 -2.078 5.619
307 HD2 HIS 44 2HD HIS 44 -9.230 -2.932 1.927
308 HE1 HIS 44 1HE HIS 44 -12.066 -0.540 3.984
309 HE2 HIS 44 2HE HIS 44 -10.988 -1.042 1.763
310 H LYS 45 H LYS 45 -6.050 -5.079 6.216
311 HA LYS 45 HA LYS 45 -4.086 -5.082 4.134
312 1HB LYS 45 2HB LYS 45 -3.332 -7.204 5.500
313 2HB LYS 45 1HB LYS 45 -3.099 -5.587 6.148
314 1HG LYS 45 2HG LYS 45 -4.639 -5.869 7.785
315 2HG LYS 45 1HG LYS 45 -5.648 -6.936 6.806
316 1HD LYS 45 2HD LYS 45 -3.124 -8.194 7.289
317 2HD LYS 45 1HD LYS 45 -3.807 -7.645 8.822
318 1HE LYS 45 2HE LYS 45 -5.050 -9.486 6.791
319 2HE LYS 45 1HE LYS 45 -4.602 -9.853 8.457
320 1HZ LYS 45 1HZ LYS 45 -6.652 -9.305 9.041
321 2HZ LYS 45 2HZ LYS 45 -7.034 -8.818 7.467
322 3HZ LYS 45 3HZ LYS 45 -6.361 -7.711 8.554
323 H GLY 46 H GLY 46 -6.010 -5.550 2.567
324 1HA GLY 46 2HA GLY 46 -5.614 -8.183 1.573
325 2HA GLY 46 1HA GLY 46 -7.199 -8.033 2.321
326 H ARG 47 H ARG 47 -7.794 -8.584 0.027
327 HA ARG 47 HA ARG 47 -7.504 -6.486 -1.924
328 1HB ARG 47 2HB ARG 47 -9.425 -8.782 -2.170
329 2HB ARG 47 1HB ARG 47 -8.541 -7.940 -3.438
330 1HG ARG 47 2HG ARG 47 -6.447 -8.909 -2.200
331 2HG ARG 47 1HG ARG 47 -7.618 -10.074 -1.577
332 1HD ARG 47 2HD ARG 47 -8.319 -10.398 -4.017
333 2HD ARG 47 1HD ARG 47 -6.832 -9.543 -4.431
334 HE ARG 47 HE ARG 47 -6.014 -11.511 -2.738
335 1HH1 ARG 47 1HH1 ARG 47 -7.850 -11.443 -5.694
336 2HH1 ARG 47 2HH1 ARG 47 -7.329 -13.013 -6.206
337 1HH2 ARG 47 1HH2 ARG 47 -5.315 -13.580 -3.407
338 2HH2 ARG 47 2HH2 ARG 47 -5.889 -14.227 -4.907
339 H CYS 48 H CYS 48 -8.593 -5.254 0.156
340 HA CYS 48 HA CYS 48 -10.370 -4.064 0.950
341 1HB CYS 48 2HB CYS 48 -10.426 -3.986 -1.982
342 2HB CYS 48 1HB CYS 48 -11.949 -3.539 -1.220