Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
509732 | 2kyq RC | 16978 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 2 H ASP 2 -18.137 3.945 5.067
2 HA ASP 2 HA ASP 2 -17.098 5.657 2.956
3 HB2 ASP 2 1HB ASP 2 -18.724 6.620 4.492
4 HB3 ASP 2 2HB ASP 2 -17.699 6.220 5.867
5 H CYS 3 H CYS 3 -15.080 4.762 2.521
6 HA CYS 3 HA CYS 3 -13.073 5.209 4.625
7 HB2 CYS 3 1HB CYS 3 -12.841 2.962 2.631
8 HB3 CYS 3 2HB CYS 3 -11.937 3.199 4.123
9 H LYS 4 H LYS 4 -10.791 5.172 3.590
10 HA LYS 4 HA LYS 4 -10.843 6.458 0.949
11 HB2 LYS 4 1HB LYS 4 -9.012 8.000 1.869
12 HB3 LYS 4 2HB LYS 4 -10.670 8.336 2.347
13 HG2 LYS 4 1HG LYS 4 -9.038 6.588 4.105
14 HG3 LYS 4 2HG LYS 4 -8.693 8.319 4.090
15 HD2 LYS 4 1HD LYS 4 -11.532 7.481 4.328
16 HD3 LYS 4 2HD LYS 4 -10.488 7.243 5.731
17 HE2 LYS 4 1HE LYS 4 -9.830 9.636 5.566
18 HE3 LYS 4 2HE LYS 4 -11.013 9.830 4.276
19 HZ1 LYS 4 3HZ LYS 4 -12.761 9.223 5.804
20 HZ2 LYS 4 1HZ LYS 4 -11.877 10.519 6.441
21 HZ3 LYS 4 2HZ LYS 4 -11.640 8.957 7.043
22 H ARG 5 H ARG 5 -8.838 6.363 -0.212
23 HA ARG 5 HA ARG 5 -6.772 4.601 0.845
24 HB2 ARG 5 1HB ARG 5 -6.817 3.215 -1.235
25 HB3 ARG 5 2HB ARG 5 -8.225 3.008 -0.204
26 HG2 ARG 5 1HG ARG 5 -9.180 3.134 -2.288
27 HG3 ARG 5 2HG ARG 5 -9.288 4.810 -1.745
28 HD2 ARG 5 1HD ARG 5 -7.706 5.531 -3.219
29 HD3 ARG 5 2HD ARG 5 -6.839 3.996 -3.205
30 HE ARG 5 HE ARG 5 -9.338 3.637 -4.438
31 HH11 ARG 5 1HH1 ARG 5 -6.269 5.186 -4.987
32 HH12 ARG 5 2HH1 ARG 5 -6.371 5.071 -6.711
33 HH21 ARG 5 1HH2 ARG 5 -9.485 3.480 -6.709
34 HH22 ARG 5 2HH2 ARG 5 -8.202 4.101 -7.691
35 H LYS 6 H LYS 6 -4.802 4.647 -0.397
36 HA LYS 6 HA LYS 6 -4.539 6.497 -2.585
37 HB2 LYS 6 1HB LYS 6 -4.522 8.110 -0.798
38 HB3 LYS 6 2HB LYS 6 -3.365 7.154 0.119
39 HG2 LYS 6 1HG LYS 6 -1.593 7.758 -1.226
40 HG3 LYS 6 2HG LYS 6 -2.635 8.159 -2.594
41 HD2 LYS 6 1HD LYS 6 -2.905 9.745 -0.088
42 HD3 LYS 6 2HD LYS 6 -1.508 10.041 -1.126
43 HE2 LYS 6 1HE LYS 6 -3.342 10.113 -3.010
44 HE3 LYS 6 2HE LYS 6 -4.408 10.487 -1.658
45 HZ1 LYS 6 3HZ LYS 6 -3.343 12.426 -2.869
46 HZ2 LYS 6 1HZ LYS 6 -1.896 11.979 -2.114
47 HZ3 LYS 6 2HZ LYS 6 -3.232 12.431 -1.180
48 H VAL 7 H VAL 7 -2.649 6.206 -3.735
49 HA VAL 7 HA VAL 7 -0.978 3.957 -2.839
50 HB VAL 7 HB VAL 7 -2.115 3.544 -4.951
51 HG11 VAL 7 1HG1 VAL 7 -1.632 4.894 -6.936
52 HG12 VAL 7 2HG1 VAL 7 -2.410 5.853 -5.676
53 HG13 VAL 7 3HG1 VAL 7 -0.674 5.998 -5.951
54 HG21 VAL 7 3HG2 VAL 7 0.838 4.037 -5.339
55 HG22 VAL 7 1HG2 VAL 7 0.115 2.597 -4.621
56 HG23 VAL 7 2HG2 VAL 7 -0.172 2.975 -6.320
57 H TYR 8 H TYR 8 1.218 4.131 -2.740
58 HA TYR 8 HA TYR 8 2.366 6.779 -3.338
59 HB2 TYR 8 1HB TYR 8 2.070 5.858 -0.834
60 HB3 TYR 8 2HB TYR 8 3.619 5.117 -1.219
61 HD1 TYR 8 HD1 TYR 8 2.065 8.454 -1.899
62 HD2 TYR 8 HD2 TYR 8 5.384 6.300 -0.335
63 HE1 TYR 8 HE1 TYR 8 3.199 10.579 -1.394
64 HE2 TYR 8 HE2 TYR 8 6.526 8.417 0.175
65 HH TYR 8 HH TYR 8 4.953 11.540 -0.410
66 H GLU 9 H GLU 9 3.068 6.068 -5.382
67 HA GLU 9 HA GLU 9 4.534 3.743 -5.889
68 HB2 GLU 9 1HB GLU 9 5.095 4.697 -7.983
69 HB3 GLU 9 2HB GLU 9 3.498 5.314 -7.584
70 HG2 GLU 9 1HG GLU 9 4.890 7.304 -6.571
71 HG3 GLU 9 2HG GLU 9 6.104 6.731 -7.713
72 H ASN 10 H ASN 10 5.438 6.652 -4.314
73 HA ASN 10 HA ASN 10 8.174 6.774 -4.812
74 HB2 ASN 10 1HB ASN 10 6.364 7.730 -2.670
75 HB3 ASN 10 2HB ASN 10 8.070 7.623 -2.247
76 HD21 ASN 10 2HD2 ASN 10 5.750 9.068 -4.431
77 HD22 ASN 10 1HD2 ASN 10 6.742 10.399 -4.909
78 H TYR 11 H TYR 11 6.340 4.576 -2.858
79 HA TYR 11 HA TYR 11 8.517 3.632 -1.271
80 HB2 TYR 11 1HB TYR 11 5.721 2.700 -1.805
81 HB3 TYR 11 2HB TYR 11 6.853 1.625 -0.990
82 HD1 TYR 11 HD1 TYR 11 8.349 3.354 0.768
83 HD2 TYR 11 HD2 TYR 11 4.216 3.488 -0.235
84 HE1 TYR 11 HE1 TYR 11 7.872 4.468 2.908
85 HE2 TYR 11 HE2 TYR 11 3.728 4.603 1.902
86 HH TYR 11 HH TYR 11 4.719 5.776 3.636
87 HA PRO 12 HA PRO 12 10.474 0.776 -3.965
88 HB2 PRO 12 1HB PRO 12 11.148 -1.218 -2.250
89 HB3 PRO 12 2HB PRO 12 11.956 0.354 -2.261
90 HG2 PRO 12 1HG PRO 12 9.792 -0.651 -0.454
91 HG3 PRO 12 2HG PRO 12 11.246 0.278 -0.047
92 HD2 PRO 12 1HD PRO 12 8.803 1.423 -0.280
93 HD3 PRO 12 2HD PRO 12 10.303 2.278 -0.697
94 H VAL 13 H VAL 13 9.713 -0.638 -5.405
95 HA VAL 13 HA VAL 13 7.222 -1.947 -5.061
96 HB VAL 13 HB VAL 13 9.338 -2.402 -7.169
97 HG11 VAL 13 1HG1 VAL 13 6.578 -3.453 -6.794
98 HG12 VAL 13 2HG1 VAL 13 7.139 -3.103 -8.430
99 HG13 VAL 13 3HG1 VAL 13 8.016 -4.256 -7.424
100 HG21 VAL 13 3HG2 VAL 13 7.371 -0.295 -6.735
101 HG22 VAL 13 1HG2 VAL 13 8.775 -0.333 -7.801
102 HG23 VAL 13 2HG2 VAL 13 7.248 -1.044 -8.326
103 H SER 14 H SER 14 10.541 -2.922 -4.605
104 HA SER 14 HA SER 14 10.298 -5.690 -4.675
105 HB2 SER 14 1HB SER 14 12.189 -5.507 -2.840
106 HB3 SER 14 2HB SER 14 12.498 -5.002 -4.501
107 HG SER 14 HG SER 14 13.193 -3.405 -3.067
108 H LYS 15 H LYS 15 9.320 -3.403 -2.236
109 HA LYS 15 HA LYS 15 8.962 -5.303 -0.135
110 HB2 LYS 15 1HB LYS 15 8.287 -2.441 -0.582
111 HB3 LYS 15 2HB LYS 15 7.366 -3.303 0.643
112 HG2 LYS 15 1HG LYS 15 9.302 -2.122 1.575
113 HG3 LYS 15 2HG LYS 15 9.393 -3.866 1.829
114 HD2 LYS 15 1HD LYS 15 10.973 -4.102 0.037
115 HD3 LYS 15 2HD LYS 15 10.773 -2.410 -0.424
116 HE2 LYS 15 1HE LYS 15 11.970 -3.460 2.137
117 HE3 LYS 15 2HE LYS 15 12.830 -2.676 0.813
118 HZ1 LYS 15 3HZ LYS 15 11.438 -1.500 2.997
119 HZ2 LYS 15 1HZ LYS 15 10.851 -0.914 1.523
120 HZ3 LYS 15 2HZ LYS 15 12.497 -0.782 1.891
121 H CYS 16 H CYS 16 7.088 -4.295 -2.852
122 HA CYS 16 HA CYS 16 4.492 -4.796 -2.062
123 HB2 CYS 16 1HB CYS 16 5.072 -3.887 -4.262
124 HB3 CYS 16 2HB CYS 16 5.763 -5.437 -4.732
125 H GLN 17 H GLN 17 7.026 -7.076 -2.898
126 HA GLN 17 HA GLN 17 5.500 -9.392 -3.178
127 HB2 GLN 17 1HB GLN 17 8.269 -9.194 -1.985
128 HB3 GLN 17 2HB GLN 17 7.542 -10.620 -2.713
129 HG2 GLN 17 1HG GLN 17 7.443 -9.419 -4.870
130 HG3 GLN 17 2HG GLN 17 8.285 -8.066 -4.116
131 HE21 GLN 17 2HE2 GLN 17 9.419 -9.121 -6.275
132 HE22 GLN 17 1HE2 GLN 17 10.807 -10.063 -5.862
133 H LEU 18 H LEU 18 6.531 -7.671 -0.323
134 HA LEU 18 HA LEU 18 5.768 -9.805 1.474
135 HB2 LEU 18 1HB LEU 18 6.869 -7.048 1.785
136 HB3 LEU 18 2HB LEU 18 6.119 -7.842 3.168
137 HG LEU 18 HG LEU 18 8.681 -7.974 2.874
138 HD11 LEU 18 1HD1 LEU 18 8.646 -10.353 3.722
139 HD12 LEU 18 2HD1 LEU 18 6.902 -10.326 3.459
140 HD13 LEU 18 3HD1 LEU 18 7.639 -9.200 4.600
141 HD21 LEU 18 3HD2 LEU 18 8.575 -8.660 0.495
142 HD22 LEU 18 1HD2 LEU 18 7.849 -10.185 1.001
143 HD23 LEU 18 2HD2 LEU 18 9.490 -9.781 1.505
144 H ALA 19 H ALA 19 3.872 -10.034 2.503
145 HA ALA 19 HA ALA 19 1.719 -8.199 1.801
146 HB1 ALA 19 3HB ALA 19 0.809 -10.244 1.519
147 HB2 ALA 19 1HB ALA 19 1.898 -11.007 2.678
148 HB3 ALA 19 2HB ALA 19 0.490 -10.109 3.248
149 H ASN 20 H ASN 20 3.633 -9.164 4.543
150 HA ASN 20 HA ASN 20 1.900 -7.775 6.424
151 HB2 ASN 20 1HB ASN 20 4.414 -9.411 6.734
152 HB3 ASN 20 2HB ASN 20 3.730 -8.492 8.071
153 HD21 ASN 20 2HD2 ASN 20 3.958 -11.466 6.990
154 HD22 ASN 20 1HD2 ASN 20 2.430 -12.120 7.460
155 H GLN 21 H GLN 21 4.518 -7.070 4.410
156 HA GLN 21 HA GLN 21 5.677 -5.012 6.071
157 HB2 GLN 21 1HB GLN 21 7.056 -6.307 4.483
158 HB3 GLN 21 2HB GLN 21 6.132 -5.636 3.147
159 HG2 GLN 21 1HG GLN 21 7.892 -4.221 3.096
160 HG3 GLN 21 2HG GLN 21 6.892 -3.356 4.261
161 HE21 GLN 21 2HE2 GLN 21 9.933 -4.197 3.669
162 HE22 GLN 21 1HE2 GLN 21 10.547 -4.351 5.276
163 H CYS 22 H CYS 22 3.538 -5.200 3.268
164 HA CYS 22 HA CYS 22 3.400 -2.478 2.655
165 HB2 CYS 22 1HB CYS 22 2.060 -4.867 1.868
166 HB3 CYS 22 2HB CYS 22 0.837 -3.652 2.224
167 H ASN 23 H ASN 23 0.950 -4.353 4.452
168 HA ASN 23 HA ASN 23 -0.493 -2.157 5.381
169 HB2 ASN 23 1HB ASN 23 -1.702 -3.659 6.666
170 HB3 ASN 23 2HB ASN 23 -1.017 -4.727 5.444
171 HD21 ASN 23 2HD2 ASN 23 0.155 -6.404 6.089
172 HD22 ASN 23 1HD2 ASN 23 0.704 -6.678 7.705
173 H TYR 24 H TYR 24 2.455 -3.586 6.535
174 HA TYR 24 HA TYR 24 2.432 -2.501 9.150
175 HB2 TYR 24 1HB TYR 24 3.922 -4.303 8.740
176 HB3 TYR 24 2HB TYR 24 4.647 -3.489 7.359
177 HD1 TYR 24 HD1 TYR 24 4.337 -3.358 11.054
178 HD2 TYR 24 HD2 TYR 24 6.527 -2.099 7.630
179 HE1 TYR 24 HE1 TYR 24 6.095 -2.456 12.518
180 HE2 TYR 24 HE2 TYR 24 8.293 -1.195 9.085
181 HH TYR 24 HH TYR 24 8.132 -0.330 11.853
182 H ASP 25 H ASP 25 3.851 -1.380 6.098
183 HA ASP 25 HA ASP 25 4.884 1.032 7.273
184 HB2 ASP 25 1HB ASP 25 6.140 0.272 5.442
185 HB3 ASP 25 2HB ASP 25 4.703 -0.033 4.467
186 H CYS 26 H CYS 26 1.953 0.050 5.690
187 HA CYS 26 HA CYS 26 1.040 2.699 5.087
188 HB2 CYS 26 1HB CYS 26 -0.288 -0.006 5.108
189 HB3 CYS 26 2HB CYS 26 -1.190 1.470 4.782
190 H LYS 27 H LYS 27 0.017 0.248 7.466
191 HA LYS 27 HA LYS 27 -1.732 1.974 8.864
192 HB2 LYS 27 1HB LYS 27 -0.342 -0.516 9.871
193 HB3 LYS 27 2HB LYS 27 -1.752 0.246 10.594
194 HG2 LYS 27 1HG LYS 27 -3.167 -0.477 8.932
195 HG3 LYS 27 2HG LYS 27 -1.864 -0.649 7.752
196 HD2 LYS 27 1HD LYS 27 -2.476 -2.849 8.328
197 HD3 LYS 27 2HD LYS 27 -0.988 -2.529 9.224
198 HE2 LYS 27 1HE LYS 27 -2.513 -3.613 10.707
199 HE3 LYS 27 2HE LYS 27 -2.400 -1.923 11.195
200 HZ1 LYS 27 3HZ LYS 27 -4.528 -2.744 9.342
201 HZ2 LYS 27 1HZ LYS 27 -4.510 -1.475 10.462
202 HZ3 LYS 27 2HZ LYS 27 -4.703 -3.069 10.994
203 H LEU 28 H LEU 28 1.626 1.875 8.730
204 HA LEU 28 HA LEU 28 2.155 2.734 11.424
205 HB2 LEU 28 1HB LEU 28 3.897 1.542 10.387
206 HB3 LEU 28 2HB LEU 28 3.810 2.527 8.928
207 HG LEU 28 HG LEU 28 4.526 4.011 11.358
208 HD11 LEU 28 1HD1 LEU 28 6.684 2.295 10.220
209 HD12 LEU 28 2HD1 LEU 28 5.632 1.649 11.480
210 HD13 LEU 28 3HD1 LEU 28 6.590 3.097 11.788
211 HD21 LEU 28 3HD2 LEU 28 6.396 4.118 9.186
212 HD22 LEU 28 1HD2 LEU 28 5.331 5.378 9.806
213 HD23 LEU 28 2HD2 LEU 28 4.750 4.262 8.570
214 H ASP 29 H ASP 29 2.621 4.335 8.267
215 HA ASP 29 HA ASP 29 2.477 6.930 9.599
216 HB2 ASP 29 1HB ASP 29 3.596 5.920 7.052
217 HB3 ASP 29 2HB ASP 29 2.919 7.545 7.000
218 H LYS 30 H LYS 30 0.998 5.282 6.809
219 HA LYS 30 HA LYS 30 -0.986 7.282 6.410
220 HB2 LYS 30 1HB LYS 30 -1.172 4.414 5.500
221 HB3 LYS 30 2HB LYS 30 -1.900 5.834 4.759
222 HG2 LYS 30 1HG LYS 30 0.871 6.297 4.805
223 HG3 LYS 30 2HG LYS 30 0.643 4.635 4.255
224 HD2 LYS 30 1HD LYS 30 0.440 5.701 2.253
225 HD3 LYS 30 2HD LYS 30 -1.242 5.796 2.781
226 HE2 LYS 30 1HE LYS 30 0.549 7.983 3.650
227 HE3 LYS 30 2HE LYS 30 0.158 7.920 1.932
228 HZ1 LYS 30 3HZ LYS 30 -1.577 8.470 4.214
229 HZ2 LYS 30 1HZ LYS 30 -2.254 7.610 2.924
230 HZ3 LYS 30 2HZ LYS 30 -1.586 9.141 2.661
231 H HIS 31 H HIS 31 -0.633 4.924 8.761
232 HA HIS 31 HA HIS 31 -2.008 3.997 10.326
233 HB2 HIS 31 1HB HIS 31 -3.357 6.625 9.747
234 HB3 HIS 31 2HB HIS 31 -3.988 5.518 10.961
235 HD1 HIS 31 HD1 HIS 31 -1.923 4.749 12.741
236 HD2 HIS 31 HD2 HIS 31 -1.691 8.437 10.839
237 HE1 HIS 31 HE1 HIS 31 -0.341 6.124 14.131
238 H ALA 32 H ALA 32 -2.498 3.377 7.458
239 HA ALA 32 HA ALA 32 -5.240 3.151 6.915
240 HB1 ALA 32 3HB ALA 32 -4.534 2.271 4.995
241 HB2 ALA 32 1HB ALA 32 -2.895 2.531 5.592
242 HB3 ALA 32 2HB ALA 32 -3.679 0.967 5.816
243 H ARG 33 H ARG 33 -5.693 0.479 6.326
244 HA ARG 33 HA ARG 33 -5.584 -0.862 8.940
245 HB2 ARG 33 1HB ARG 33 -7.828 0.311 8.324
246 HB3 ARG 33 2HB ARG 33 -8.037 -1.044 7.223
247 HG2 ARG 33 1HG ARG 33 -7.718 -2.570 9.182
248 HG3 ARG 33 2HG ARG 33 -7.768 -1.140 10.216
249 HD2 ARG 33 1HD ARG 33 -10.000 -0.602 9.282
250 HD3 ARG 33 2HD ARG 33 -9.945 -2.109 8.367
251 HE ARG 33 HE ARG 33 -10.545 -3.216 10.266
252 HH11 ARG 33 1HH1 ARG 33 -9.223 -0.121 11.156
253 HH12 ARG 33 2HH1 ARG 33 -9.588 -0.302 12.840
254 HH21 ARG 33 1HH2 ARG 33 -11.031 -3.467 12.480
255 HH22 ARG 33 2HH2 ARG 33 -10.616 -2.207 13.593
256 H SER 34 H SER 34 -6.075 -1.156 5.456
257 HA SER 34 HA SER 34 -5.061 -3.917 5.627
258 HB2 SER 34 1HB SER 34 -7.523 -3.779 5.085
259 HB3 SER 34 2HB SER 34 -7.080 -2.952 3.592
260 HG SER 34 HG SER 34 -6.470 -5.598 4.383
261 H GLY 35 H GLY 35 -3.439 -1.652 5.272
262 HA2 GLY 35 1HA GLY 35 -2.865 -0.814 2.722
263 HA3 GLY 35 2HA GLY 35 -1.645 -1.050 3.965
264 H GLU 36 H GLU 36 -2.536 -1.904 0.908
265 HA GLU 36 HA GLU 36 -0.625 -4.090 0.879
266 HB2 GLU 36 1HB GLU 36 -3.170 -4.844 1.211
267 HB3 GLU 36 2HB GLU 36 -3.172 -4.672 -0.539
268 HG2 GLU 36 1HG GLU 36 -1.205 -6.193 -0.623
269 HG3 GLU 36 2HG GLU 36 -1.399 -6.456 1.109
270 H CYS 37 H CYS 37 -0.091 -4.769 -1.355
271 HA CYS 37 HA CYS 37 -0.256 -2.458 -3.161
272 HB2 CYS 37 1HB CYS 37 1.766 -3.222 -4.172
273 HB3 CYS 37 2HB CYS 37 2.000 -3.322 -2.431
274 H PHE 38 H PHE 38 -0.661 -2.764 -5.395
275 HA PHE 38 HA PHE 38 -1.497 -5.335 -6.380
276 HB2 PHE 38 1HB PHE 38 -3.467 -3.308 -5.492
277 HB3 PHE 38 2HB PHE 38 -3.785 -4.072 -7.046
278 HD1 PHE 38 HD1 PHE 38 -3.177 -6.775 -6.850
279 HD2 PHE 38 HD2 PHE 38 -4.664 -4.230 -3.781
280 HE1 PHE 38 HE1 PHE 38 -4.128 -8.728 -5.696
281 HE2 PHE 38 HE2 PHE 38 -5.616 -6.180 -2.620
282 HZ PHE 38 HZ PHE 38 -5.349 -8.432 -3.579
283 H TYR 39 H TYR 39 -1.861 -5.353 -8.649
284 HA TYR 39 HA TYR 39 -0.205 -3.654 -10.120
285 HB2 TYR 39 1HB TYR 39 -1.208 -4.679 -12.113
286 HB3 TYR 39 2HB TYR 39 -0.840 -5.892 -10.891
287 HD1 TYR 39 HD2 TYR 39 -3.516 -4.110 -12.652
288 HD2 TYR 39 HD1 TYR 39 -2.612 -7.086 -9.749
289 HE1 TYR 39 HE2 TYR 39 -5.841 -4.903 -12.751
290 HE2 TYR 39 HE1 TYR 39 -4.934 -7.890 -9.841
291 HH TYR 39 HH TYR 39 -6.969 -7.552 -10.673
292 H ASP 40 H ASP 40 -0.512 -1.800 -11.233
293 HA ASP 40 HA ASP 40 -3.031 -0.395 -10.786
294 HB2 ASP 40 1HB ASP 40 -0.479 0.469 -10.549
295 HB3 ASP 40 2HB ASP 40 -0.818 0.967 -12.204
296 H GLU 41 H GLU 41 -3.172 1.345 -12.848
297 HA GLU 41 HA GLU 41 -4.233 -0.295 -14.940
298 HB2 GLU 41 1HB GLU 41 -4.895 1.818 -15.983
299 HB3 GLU 41 2HB GLU 41 -5.335 1.788 -14.280
300 HG2 GLU 41 1HG GLU 41 -3.808 3.389 -13.711
301 HG3 GLU 41 2HG GLU 41 -2.737 3.005 -15.056
302 H LYS 42 H LYS 42 -1.209 1.157 -14.325
303 HA LYS 42 HA LYS 42 -0.424 0.976 -17.150
304 HB2 LYS 42 1HB LYS 42 0.986 2.285 -14.817
305 HB3 LYS 42 2HB LYS 42 1.571 2.270 -16.476
306 HG2 LYS 42 1HG LYS 42 -0.703 3.379 -17.028
307 HG3 LYS 42 2HG LYS 42 -0.742 3.750 -15.303
308 HD2 LYS 42 1HD LYS 42 0.252 5.633 -16.267
309 HD3 LYS 42 2HD LYS 42 1.617 4.698 -15.652
310 HE2 LYS 42 1HE LYS 42 2.074 3.831 -17.854
311 HE3 LYS 42 2HE LYS 42 0.624 4.602 -18.498
312 HZ1 LYS 42 3HZ LYS 42 2.622 6.298 -17.193
313 HZ2 LYS 42 1HZ LYS 42 1.592 6.646 -18.489
314 HZ3 LYS 42 2HZ LYS 42 2.975 5.705 -18.737
315 H ARG 43 H ARG 43 -0.789 -1.313 -15.300
316 HA ARG 43 HA ARG 43 0.224 -3.281 -14.773
317 HB2 ARG 43 1HB ARG 43 2.040 -2.304 -16.973
318 HB3 ARG 43 2HB ARG 43 2.245 -3.872 -16.207
319 HG2 ARG 43 1HG ARG 43 0.973 -4.498 -17.974
320 HG3 ARG 43 2HG ARG 43 -0.317 -4.101 -16.836
321 HD2 ARG 43 1HD ARG 43 -1.038 -2.925 -18.654
322 HD3 ARG 43 2HD ARG 43 -0.024 -1.698 -17.893
323 HE ARG 43 HE ARG 43 1.493 -3.244 -19.713
324 HH11 ARG 43 1HH1 ARG 43 -0.934 -0.750 -19.595
325 HH12 ARG 43 2HH1 ARG 43 -0.479 -0.053 -21.113
326 HH21 ARG 43 1HH2 ARG 43 2.102 -2.335 -21.715
327 HH22 ARG 43 2HH2 ARG 43 1.248 -0.956 -22.320
328 H ASN 44 H ASN 44 1.036 -0.722 -13.425
329 HA ASN 44 HA ASN 44 3.740 -1.438 -12.538
330 HB2 ASN 44 1HB ASN 44 2.120 1.093 -12.239
331 HB3 ASN 44 2HB ASN 44 3.653 0.831 -11.415
332 HD21 ASN 44 2HD2 ASN 44 5.424 0.029 -12.972
333 HD22 ASN 44 1HD2 ASN 44 5.561 0.913 -14.450
334 H LEU 45 H LEU 45 4.082 -2.325 -10.604
335 HA LEU 45 HA LEU 45 1.805 -2.777 -8.852
336 HB2 LEU 45 1HB LEU 45 4.581 -3.740 -8.300
337 HB3 LEU 45 2HB LEU 45 3.041 -4.472 -7.858
338 HG LEU 45 HG LEU 45 4.227 -4.401 -10.632
339 HD11 LEU 45 1HD1 LEU 45 4.053 -6.997 -10.010
340 HD12 LEU 45 2HD1 LEU 45 4.354 -6.335 -8.404
341 HD13 LEU 45 3HD1 LEU 45 5.497 -6.028 -9.711
342 HD21 LEU 45 3HD2 LEU 45 1.974 -4.492 -11.057
343 HD22 LEU 45 1HD2 LEU 45 1.607 -5.306 -9.536
344 HD23 LEU 45 2HD2 LEU 45 2.339 -6.208 -10.864
345 H GLN 46 H GLN 46 1.349 -1.384 -7.293
346 HA GLN 46 HA GLN 46 3.569 -0.117 -5.840
347 HB2 GLN 46 1HB GLN 46 0.994 1.309 -6.496
348 HB3 GLN 46 2HB GLN 46 2.453 1.993 -5.792
349 HG2 GLN 46 1HG GLN 46 3.643 1.732 -7.854
350 HG3 GLN 46 2HG GLN 46 2.293 0.853 -8.571
351 HE21 GLN 46 2HE2 GLN 46 2.004 2.274 -10.250
352 HE22 GLN 46 1HE2 GLN 46 1.396 3.876 -10.034
353 H CYS 47 H CYS 47 3.013 0.596 -3.670
354 HA CYS 47 HA CYS 47 1.132 -1.255 -2.425
355 HB2 CYS 47 1HB CYS 47 3.519 -0.943 -1.608
356 HB3 CYS 47 2HB CYS 47 3.021 0.644 -1.030
357 H ILE 48 H ILE 48 -0.899 -0.566 -2.280
358 HA ILE 48 HA ILE 48 -1.435 2.280 -1.846
359 HB ILE 48 HB ILE 48 -3.401 0.071 -2.459
360 HG12 ILE 48 1HG1 ILE 48 -3.328 1.586 -4.699
361 HG13 ILE 48 2HG1 ILE 48 -1.653 1.732 -4.178
362 HG21 ILE 48 1HG2 ILE 48 -4.956 1.847 -2.955
363 HG22 ILE 48 2HG2 ILE 48 -4.330 2.057 -1.320
364 HG23 ILE 48 3HG2 ILE 48 -3.720 3.063 -2.634
365 HD11 ILE 48 3HD1 ILE 48 -2.949 -0.428 -5.515
366 HD12 ILE 48 1HD1 ILE 48 -1.242 -0.216 -5.131
367 HD13 ILE 48 2HD1 ILE 48 -2.318 -0.986 -3.965
368 H CYS 49 H CYS 49 -2.358 3.074 -0.032
369 HA CYS 49 HA CYS 49 -2.882 1.157 2.140
370 HB2 CYS 49 1HB CYS 49 -2.230 4.083 2.487
371 HB3 CYS 49 2HB CYS 49 -2.198 2.815 3.708
372 H ASP 50 H ASP 50 -4.867 1.045 2.972
373 HA ASP 50 HA ASP 50 -6.794 3.148 2.231
374 HB2 ASP 50 1HB ASP 50 -7.234 0.920 1.215
375 HB3 ASP 50 2HB ASP 50 -7.378 0.242 2.834
376 H TYR 51 H TYR 51 -7.495 4.352 3.855
377 HA TYR 51 HA TYR 51 -7.314 3.278 6.588
378 HB2 TYR 51 1HB TYR 51 -5.965 5.262 6.280
379 HB3 TYR 51 2HB TYR 51 -7.332 6.133 5.594
380 HD1 TYR 51 HD2 TYR 51 -6.960 4.037 8.667
381 HD2 TYR 51 HD1 TYR 51 -7.943 7.838 7.025
382 HE1 TYR 51 HE2 TYR 51 -7.567 4.844 10.910
383 HE2 TYR 51 HE1 TYR 51 -8.551 8.654 9.263
384 HH TYR 51 HH TYR 51 -8.606 6.503 12.052
385 H CYS 52 H CYS 52 -9.157 2.685 7.493
386 HA CYS 52 HA CYS 52 -11.603 4.189 6.851
387 HB2 CYS 52 1HB CYS 52 -11.395 1.890 5.704
388 HB3 CYS 52 2HB CYS 52 -11.633 1.213 7.312
389 H GLU 53 H GLU 53 -12.912 4.658 8.546
390 HA GLU 53 HA GLU 53 -12.362 3.395 11.134
391 HB2 GLU 53 1HB GLU 53 -11.069 5.460 11.126
392 HB3 GLU 53 2HB GLU 53 -12.493 6.376 10.652
393 HG2 GLU 53 1HG GLU 53 -13.501 6.117 12.742
394 HG3 GLU 53 2HG GLU 53 -12.428 4.792 13.194
395 H TYR 54 H TYR 54 -14.188 2.655 11.966
396 HA TYR 54 HA TYR 54 -16.727 3.209 10.867
397 HB2 TYR 54 1HB TYR 54 -15.930 1.139 12.194
398 HB3 TYR 54 2HB TYR 54 -16.324 2.081 13.628
399 HD1 TYR 54 HD1 TYR 54 -17.745 0.595 10.549
400 HD2 TYR 54 HD2 TYR 54 -18.567 2.334 14.345
401 HE1 TYR 54 HE1 TYR 54 -20.096 -0.100 10.351
402 HE2 TYR 54 HE2 TYR 54 -20.920 1.643 14.158
403 HH TYR 54 HH TYR 54 -22.048 -0.330 11.455
Start of MODEL 2
1 H1 ASP 2 H ASP 2 -17.079 5.816 6.251
2 HA ASP 2 HA ASP 2 -17.128 4.980 3.558
3 HB2 ASP 2 1HB ASP 2 -18.100 7.235 3.226
4 HB3 ASP 2 2HB ASP 2 -16.659 7.943 3.950
5 H CYS 3 H CYS 3 -15.026 4.819 2.635
6 HA CYS 3 HA CYS 3 -12.841 5.290 4.556
7 HB2 CYS 3 1HB CYS 3 -12.869 3.024 2.571
8 HB3 CYS 3 2HB CYS 3 -11.836 3.226 3.981
9 H LYS 4 H LYS 4 -10.638 5.133 3.370
10 HA LYS 4 HA LYS 4 -10.790 6.365 0.712
11 HB2 LYS 4 1HB LYS 4 -8.858 7.878 1.531
12 HB3 LYS 4 2HB LYS 4 -10.505 8.300 1.979
13 HG2 LYS 4 1HG LYS 4 -10.163 7.248 4.171
14 HG3 LYS 4 2HG LYS 4 -8.497 6.879 3.718
15 HD2 LYS 4 1HD LYS 4 -9.539 9.688 3.606
16 HD3 LYS 4 2HD LYS 4 -8.964 8.995 5.124
17 HE2 LYS 4 1HE LYS 4 -6.857 8.365 3.782
18 HE3 LYS 4 2HE LYS 4 -7.441 9.530 2.595
19 HZ1 LYS 4 3HZ LYS 4 -7.140 10.259 5.443
20 HZ2 LYS 4 1HZ LYS 4 -7.223 11.278 4.095
21 HZ3 LYS 4 2HZ LYS 4 -5.835 10.351 4.370
22 H ARG 5 H ARG 5 -8.764 6.277 -0.481
23 HA ARG 5 HA ARG 5 -6.746 4.435 0.531
24 HB2 ARG 5 1HB ARG 5 -6.855 3.141 -1.644
25 HB3 ARG 5 2HB ARG 5 -8.178 2.866 -0.520
26 HG2 ARG 5 1HG ARG 5 -9.718 3.837 -1.873
27 HG3 ARG 5 2HG ARG 5 -8.556 4.969 -2.569
28 HD2 ARG 5 1HD ARG 5 -7.805 3.450 -4.124
29 HD3 ARG 5 2HD ARG 5 -8.263 2.059 -3.143
30 HE ARG 5 HE ARG 5 -10.494 3.609 -4.092
31 HH11 ARG 5 1HH1 ARG 5 -8.285 1.014 -4.806
32 HH12 ARG 5 2HH1 ARG 5 -9.350 0.244 -5.936
33 HH21 ARG 5 1HH2 ARG 5 -11.904 2.605 -5.578
34 HH22 ARG 5 2HH2 ARG 5 -11.407 1.151 -6.375
35 H LYS 6 H LYS 6 -4.739 4.633 -0.465
36 HA LYS 6 HA LYS 6 -4.435 6.451 -2.710
37 HB2 LYS 6 1HB LYS 6 -4.378 8.042 -0.927
38 HB3 LYS 6 2HB LYS 6 -3.314 7.022 0.032
39 HG2 LYS 6 1HG LYS 6 -1.458 7.505 -1.285
40 HG3 LYS 6 2HG LYS 6 -2.445 8.081 -2.630
41 HD2 LYS 6 1HD LYS 6 -2.517 9.487 0.013
42 HD3 LYS 6 2HD LYS 6 -1.208 9.800 -1.129
43 HE2 LYS 6 1HE LYS 6 -2.618 10.752 -2.686
44 HE3 LYS 6 2HE LYS 6 -4.036 9.900 -2.078
45 HZ1 LYS 6 3HZ LYS 6 -4.246 11.370 -0.302
46 HZ2 LYS 6 1HZ LYS 6 -3.853 12.378 -1.603
47 HZ3 LYS 6 2HZ LYS 6 -2.671 11.966 -0.465
48 H VAL 7 H VAL 7 -2.683 5.987 -3.941
49 HA VAL 7 HA VAL 7 -1.025 3.733 -3.060
50 HB VAL 7 HB VAL 7 -2.140 3.354 -5.165
51 HG11 VAL 7 1HG1 VAL 7 -1.553 6.110 -5.603
52 HG12 VAL 7 2HG1 VAL 7 -0.878 5.162 -6.929
53 HG13 VAL 7 3HG1 VAL 7 -2.594 5.037 -6.538
54 HG21 VAL 7 3HG2 VAL 7 -0.248 2.797 -6.555
55 HG22 VAL 7 1HG2 VAL 7 0.770 3.946 -5.688
56 HG23 VAL 7 2HG2 VAL 7 0.169 2.506 -4.866
57 H TYR 8 H TYR 8 1.173 3.840 -2.952
58 HA TYR 8 HA TYR 8 2.382 6.488 -3.415
59 HB2 TYR 8 1HB TYR 8 2.204 5.137 -1.018
60 HB3 TYR 8 2HB TYR 8 3.822 4.724 -1.575
61 HD1 TYR 8 HD2 TYR 8 4.639 7.196 -2.944
62 HD2 TYR 8 HD1 TYR 8 2.525 6.663 0.710
63 HE1 TYR 8 HE2 TYR 8 5.470 9.371 -2.153
64 HE2 TYR 8 HE1 TYR 8 3.349 8.838 1.510
65 HH TYR 8 HH TYR 8 4.673 11.138 -0.454
66 H GLU 9 H GLU 9 3.087 6.076 -5.501
67 HA GLU 9 HA GLU 9 4.493 3.730 -6.256
68 HB2 GLU 9 1HB GLU 9 5.003 4.912 -8.315
69 HB3 GLU 9 2HB GLU 9 3.323 5.180 -7.872
70 HG2 GLU 9 1HG GLU 9 3.960 7.369 -6.925
71 HG3 GLU 9 2HG GLU 9 5.608 7.100 -7.491
72 H ASN 10 H ASN 10 5.418 6.620 -4.643
73 HA ASN 10 HA ASN 10 8.164 6.663 -5.327
74 HB2 ASN 10 1HB ASN 10 6.555 8.387 -4.031
75 HB3 ASN 10 2HB ASN 10 7.350 7.643 -2.647
76 HD21 ASN 10 2HD2 ASN 10 9.648 7.754 -2.516
77 HD22 ASN 10 1HD2 ASN 10 10.503 9.040 -3.291
78 H TYR 11 H TYR 11 6.327 4.624 -3.305
79 HA TYR 11 HA TYR 11 8.410 3.894 -1.484
80 HB2 TYR 11 1HB TYR 11 5.665 2.898 -2.104
81 HB3 TYR 11 2HB TYR 11 6.759 1.836 -1.223
82 HD1 TYR 11 HD2 TYR 11 6.296 5.533 -1.031
83 HD2 TYR 11 HD1 TYR 11 6.006 1.790 0.971
84 HE1 TYR 11 HE2 TYR 11 5.739 6.702 1.060
85 HE2 TYR 11 HE1 TYR 11 5.446 2.948 3.068
86 HH TYR 11 HH TYR 11 4.397 5.985 3.267
87 HA PRO 12 HA PRO 12 10.617 0.857 -3.752
88 HB2 PRO 12 1HB PRO 12 11.082 -1.045 -1.871
89 HB3 PRO 12 2HB PRO 12 11.896 0.524 -1.872
90 HG2 PRO 12 1HG PRO 12 9.536 -0.385 -0.269
91 HG3 PRO 12 2HG PRO 12 10.943 0.563 0.249
92 HD2 PRO 12 1HD PRO 12 8.549 1.696 -0.315
93 HD3 PRO 12 2HD PRO 12 10.091 2.527 -0.605
94 H VAL 13 H VAL 13 9.905 -0.526 -5.238
95 HA VAL 13 HA VAL 13 7.424 -1.882 -5.024
96 HB VAL 13 HB VAL 13 9.626 -2.457 -7.008
97 HG11 VAL 13 1HG1 VAL 13 7.347 -2.799 -8.364
98 HG12 VAL 13 2HG1 VAL 13 8.130 -4.099 -7.463
99 HG13 VAL 13 3HG1 VAL 13 6.779 -3.217 -6.748
100 HG21 VAL 13 3HG2 VAL 13 9.369 -0.240 -7.447
101 HG22 VAL 13 1HG2 VAL 13 8.003 -0.852 -8.380
102 HG23 VAL 13 2HG2 VAL 13 7.741 -0.181 -6.770
103 H SER 14 H SER 14 10.668 -2.725 -4.191
104 HA SER 14 HA SER 14 10.494 -5.528 -4.309
105 HB2 SER 14 1HB SER 14 12.237 -3.577 -2.865
106 HB3 SER 14 2HB SER 14 12.282 -5.269 -2.369
107 HG SER 14 HG SER 14 13.805 -5.002 -3.960
108 H LYS 15 H LYS 15 9.382 -3.211 -1.955
109 HA LYS 15 HA LYS 15 8.970 -5.024 0.188
110 HB2 LYS 15 1HB LYS 15 8.258 -2.232 -0.438
111 HB3 LYS 15 2HB LYS 15 7.147 -3.054 0.650
112 HG2 LYS 15 1HG LYS 15 8.900 -1.818 1.841
113 HG3 LYS 15 2HG LYS 15 8.944 -3.550 2.181
114 HD2 LYS 15 1HD LYS 15 10.898 -3.867 1.007
115 HD3 LYS 15 2HD LYS 15 10.627 -2.466 -0.031
116 HE2 LYS 15 1HE LYS 15 12.348 -1.752 1.346
117 HE3 LYS 15 2HE LYS 15 10.919 -1.099 2.146
118 HZ1 LYS 15 3HZ LYS 15 12.829 -2.623 3.323
119 HZ2 LYS 15 1HZ LYS 15 11.595 -3.743 3.031
120 HZ3 LYS 15 2HZ LYS 15 11.276 -2.351 3.936
121 H CYS 16 H CYS 16 7.104 -4.135 -2.619
122 HA CYS 16 HA CYS 16 4.555 -4.916 -1.887
123 HB2 CYS 16 1HB CYS 16 4.995 -3.839 -4.016
124 HB3 CYS 16 2HB CYS 16 5.939 -5.224 -4.558
125 H GLN 17 H GLN 17 7.338 -6.873 -2.645
126 HA GLN 17 HA GLN 17 6.106 -9.319 -3.176
127 HB2 GLN 17 1HB GLN 17 8.713 -8.926 -1.702
128 HB3 GLN 17 2HB GLN 17 8.217 -10.348 -2.611
129 HG2 GLN 17 1HG GLN 17 8.744 -7.619 -3.766
130 HG3 GLN 17 2HG GLN 17 9.832 -9.003 -3.841
131 HE21 GLN 17 2HE2 GLN 17 8.454 -11.060 -4.600
132 HE22 GLN 17 1HE2 GLN 17 7.624 -10.801 -6.092
133 H LEU 18 H LEU 18 6.458 -7.579 -0.218
134 HA LEU 18 HA LEU 18 5.569 -9.924 1.319
135 HB2 LEU 18 1HB LEU 18 6.726 -7.328 2.323
136 HB3 LEU 18 2HB LEU 18 6.315 -8.735 3.302
137 HG LEU 18 HG LEU 18 8.399 -8.841 1.137
138 HD11 LEU 18 1HD1 LEU 18 9.343 -7.222 2.487
139 HD12 LEU 18 2HD1 LEU 18 9.970 -8.710 3.196
140 HD13 LEU 18 3HD1 LEU 18 8.616 -7.873 3.956
141 HD21 LEU 18 3HD2 LEU 18 7.172 -10.809 2.622
142 HD22 LEU 18 1HD2 LEU 18 8.675 -10.517 3.497
143 HD23 LEU 18 2HD2 LEU 18 8.720 -10.950 1.788
144 H ALA 19 H ALA 19 3.642 -9.929 2.346
145 HA ALA 19 HA ALA 19 1.816 -7.739 1.753
146 HB1 ALA 19 3HB ALA 19 0.283 -9.525 3.064
147 HB2 ALA 19 1HB ALA 19 0.606 -9.593 1.331
148 HB3 ALA 19 2HB ALA 19 1.544 -10.590 2.444
149 H ASN 20 H ASN 20 3.488 -9.167 4.457
150 HA ASN 20 HA ASN 20 1.925 -7.787 6.448
151 HB2 ASN 20 1HB ASN 20 4.428 -9.463 6.558
152 HB3 ASN 20 2HB ASN 20 3.802 -8.630 7.978
153 HD21 ASN 20 2HD2 ASN 20 3.705 -10.863 8.782
154 HD22 ASN 20 1HD2 ASN 20 2.285 -11.791 8.453
155 H GLN 21 H GLN 21 4.597 -7.057 4.457
156 HA GLN 21 HA GLN 21 5.737 -5.060 6.203
157 HB2 GLN 21 1HB GLN 21 7.159 -6.316 4.642
158 HB3 GLN 21 2HB GLN 21 6.265 -5.645 3.285
159 HG2 GLN 21 1HG GLN 21 8.508 -4.594 3.857
160 HG3 GLN 21 2HG GLN 21 7.140 -3.512 3.604
161 HE21 GLN 21 2HE2 GLN 21 7.478 -1.837 4.892
162 HE22 GLN 21 1HE2 GLN 21 7.833 -1.919 6.580
163 H CYS 22 H CYS 22 3.690 -5.136 3.326
164 HA CYS 22 HA CYS 22 3.604 -2.370 2.848
165 HB2 CYS 22 1HB CYS 22 2.249 -4.736 1.888
166 HB3 CYS 22 2HB CYS 22 1.110 -3.408 2.085
167 H ASN 23 H ASN 23 1.095 -4.396 4.381
168 HA ASN 23 HA ASN 23 -0.499 -2.306 5.297
169 HB2 ASN 23 1HB ASN 23 -1.738 -3.915 6.353
170 HB3 ASN 23 2HB ASN 23 -0.795 -4.959 5.294
171 HD21 ASN 23 2HD2 ASN 23 1.345 -5.661 6.267
172 HD22 ASN 23 1HD2 ASN 23 1.303 -6.161 7.921
173 H TYR 24 H TYR 24 2.417 -3.681 6.624
174 HA TYR 24 HA TYR 24 2.177 -2.597 9.236
175 HB2 TYR 24 1HB TYR 24 3.684 -4.423 8.912
176 HB3 TYR 24 2HB TYR 24 4.554 -3.564 7.646
177 HD1 TYR 24 HD1 TYR 24 3.745 -3.367 11.279
178 HD2 TYR 24 HD2 TYR 24 6.479 -2.369 8.176
179 HE1 TYR 24 HE1 TYR 24 5.328 -2.514 12.957
180 HE2 TYR 24 HE2 TYR 24 8.071 -1.515 9.845
181 HH TYR 24 HH TYR 24 8.008 -2.213 12.973
182 H ASP 25 H ASP 25 3.776 -1.482 6.279
183 HA ASP 25 HA ASP 25 4.788 0.908 7.505
184 HB2 ASP 25 1HB ASP 25 5.630 -0.421 5.382
185 HB3 ASP 25 2HB ASP 25 4.504 0.640 4.541
186 H CYS 26 H CYS 26 1.895 -0.021 5.823
187 HA CYS 26 HA CYS 26 1.037 2.667 5.262
188 HB2 CYS 26 1HB CYS 26 -0.290 -0.032 5.080
189 HB3 CYS 26 2HB CYS 26 -1.183 1.459 4.793
190 H LYS 27 H LYS 27 0.003 0.128 7.535
191 HA LYS 27 HA LYS 27 -1.866 1.773 8.896
192 HB2 LYS 27 1HB LYS 27 -0.479 -0.749 9.824
193 HB3 LYS 27 2HB LYS 27 -1.880 -0.016 10.593
194 HG2 LYS 27 1HG LYS 27 -3.312 -0.668 8.924
195 HG3 LYS 27 2HG LYS 27 -2.033 -0.753 7.711
196 HD2 LYS 27 1HD LYS 27 -2.498 -2.989 8.107
197 HD3 LYS 27 2HD LYS 27 -1.123 -2.695 9.173
198 HE2 LYS 27 1HE LYS 27 -3.905 -2.325 10.198
199 HE3 LYS 27 2HE LYS 27 -3.233 -3.949 10.062
200 HZ1 LYS 27 3HZ LYS 27 -2.670 -1.905 11.984
201 HZ2 LYS 27 1HZ LYS 27 -1.261 -2.521 11.280
202 HZ3 LYS 27 2HZ LYS 27 -2.346 -3.564 12.050
203 H LEU 28 H LEU 28 1.501 1.708 8.916
204 HA LEU 28 HA LEU 28 1.885 2.506 11.654
205 HB2 LEU 28 1HB LEU 28 3.675 1.334 10.654
206 HB3 LEU 28 2HB LEU 28 3.678 2.393 9.246
207 HG LEU 28 HG LEU 28 4.496 4.234 10.710
208 HD11 LEU 28 1HD1 LEU 28 3.712 3.491 12.850
209 HD12 LEU 28 2HD1 LEU 28 5.472 3.575 12.896
210 HD13 LEU 28 3HD1 LEU 28 4.668 2.014 12.740
211 HD21 LEU 28 3HD2 LEU 28 5.941 2.597 9.351
212 HD22 LEU 28 1HD2 LEU 28 6.351 1.888 10.913
213 HD23 LEU 28 2HD2 LEU 28 6.729 3.579 10.587
214 H ASP 29 H ASP 29 2.512 4.180 8.563
215 HA ASP 29 HA ASP 29 2.288 6.744 9.941
216 HB2 ASP 29 1HB ASP 29 3.460 5.820 7.364
217 HB3 ASP 29 2HB ASP 29 2.882 7.482 7.446
218 H LYS 30 H LYS 30 0.931 5.128 7.073
219 HA LYS 30 HA LYS 30 -1.029 7.136 6.601
220 HB2 LYS 30 1HB LYS 30 -0.270 4.555 5.446
221 HB3 LYS 30 2HB LYS 30 -2.002 4.857 5.393
222 HG2 LYS 30 1HG LYS 30 -0.167 7.017 4.501
223 HG3 LYS 30 2HG LYS 30 -0.409 5.622 3.446
224 HD2 LYS 30 1HD LYS 30 -2.106 6.960 2.704
225 HD3 LYS 30 2HD LYS 30 -2.952 6.103 3.994
226 HE2 LYS 30 1HE LYS 30 -2.956 7.930 5.387
227 HE3 LYS 30 2HE LYS 30 -1.518 8.631 4.648
228 HZ1 LYS 30 3HZ LYS 30 -3.014 9.994 3.708
229 HZ2 LYS 30 1HZ LYS 30 -4.305 8.920 3.909
230 HZ3 LYS 30 2HZ LYS 30 -3.237 8.725 2.613
231 H HIS 31 H HIS 31 -0.781 4.766 8.953
232 HA HIS 31 HA HIS 31 -2.222 3.839 10.456
233 HB2 HIS 31 1HB HIS 31 -2.579 6.454 10.602
234 HB3 HIS 31 2HB HIS 31 -4.174 6.051 9.972
235 HD1 HIS 31 HD1 HIS 31 -3.393 7.131 12.916
236 HD2 HIS 31 HD2 HIS 31 -4.483 3.266 11.850
237 HE1 HIS 31 HE1 HIS 31 -4.271 6.075 15.022
238 H ALA 32 H ALA 32 -2.589 3.239 7.558
239 HA ALA 32 HA ALA 32 -5.307 2.999 6.910
240 HB1 ALA 32 3HB ALA 32 -3.386 2.748 5.330
241 HB2 ALA 32 1HB ALA 32 -3.108 1.145 6.012
242 HB3 ALA 32 2HB ALA 32 -4.624 1.501 5.182
243 H ARG 33 H ARG 33 -5.719 0.331 6.277
244 HA ARG 33 HA ARG 33 -5.689 -1.042 8.875
245 HB2 ARG 33 1HB ARG 33 -8.081 -1.048 7.038
246 HB3 ARG 33 2HB ARG 33 -7.981 -1.677 8.677
247 HG2 ARG 33 1HG ARG 33 -7.369 0.863 9.185
248 HG3 ARG 33 2HG ARG 33 -8.331 1.100 7.725
249 HD2 ARG 33 1HD ARG 33 -9.921 1.220 9.406
250 HD3 ARG 33 2HD ARG 33 -10.037 -0.460 8.883
251 HE ARG 33 HE ARG 33 -9.293 -1.115 10.945
252 HH11 ARG 33 1HH1 ARG 33 -8.618 2.273 10.514
253 HH12 ARG 33 2HH1 ARG 33 -8.105 2.513 12.151
254 HH21 ARG 33 1HH2 ARG 33 -8.619 -0.812 13.103
255 HH22 ARG 33 2HH2 ARG 33 -8.105 0.757 13.623
256 H SER 34 H SER 34 -6.177 -1.327 5.379
257 HA SER 34 HA SER 34 -5.106 -4.068 5.541
258 HB2 SER 34 1HB SER 34 -7.415 -2.988 3.961
259 HB3 SER 34 2HB SER 34 -6.496 -4.357 3.338
260 HG SER 34 HG SER 34 -8.226 -4.210 5.490
261 H GLY 35 H GLY 35 -3.517 -1.764 5.223
262 HA2 GLY 35 1HA GLY 35 -2.917 -0.938 2.665
263 HA3 GLY 35 2HA GLY 35 -1.724 -1.102 3.946
264 H GLU 36 H GLU 36 -2.448 -2.021 0.881
265 HA GLU 36 HA GLU 36 -0.480 -4.152 0.959
266 HB2 GLU 36 1HB GLU 36 -2.959 -5.030 1.243
267 HB3 GLU 36 2HB GLU 36 -3.004 -4.798 -0.499
268 HG2 GLU 36 1HG GLU 36 -1.243 -6.347 -0.840
269 HG3 GLU 36 2HG GLU 36 -0.889 -6.421 0.885
270 H CYS 37 H CYS 37 0.058 -4.906 -1.292
271 HA CYS 37 HA CYS 37 -0.022 -2.595 -3.102
272 HB2 CYS 37 1HB CYS 37 2.001 -3.393 -4.071
273 HB3 CYS 37 2HB CYS 37 2.200 -3.528 -2.326
274 H PHE 38 H PHE 38 -0.405 -2.893 -5.341
275 HA PHE 38 HA PHE 38 -1.208 -5.423 -6.400
276 HB2 PHE 38 1HB PHE 38 -3.250 -3.550 -5.354
277 HB3 PHE 38 2HB PHE 38 -3.574 -4.238 -6.942
278 HD1 PHE 38 HD1 PHE 38 -2.879 -6.908 -6.947
279 HD2 PHE 38 HD2 PHE 38 -4.307 -4.633 -3.645
280 HE1 PHE 38 HE1 PHE 38 -3.702 -8.970 -5.886
281 HE2 PHE 38 HE2 PHE 38 -5.131 -6.691 -2.579
282 HZ PHE 38 HZ PHE 38 -4.829 -8.863 -3.698
283 H TYR 39 H TYR 39 -1.921 -5.252 -8.665
284 HA TYR 39 HA TYR 39 -0.297 -3.437 -10.104
285 HB2 TYR 39 1HB TYR 39 -1.299 -4.413 -12.103
286 HB3 TYR 39 2HB TYR 39 -0.886 -5.676 -10.949
287 HD1 TYR 39 HD2 TYR 39 -3.642 -3.834 -12.532
288 HD2 TYR 39 HD1 TYR 39 -2.599 -6.999 -9.887
289 HE1 TYR 39 HE2 TYR 39 -5.952 -4.674 -12.636
290 HE2 TYR 39 HE1 TYR 39 -4.905 -7.849 -9.984
291 HH TYR 39 HH TYR 39 -7.333 -6.337 -12.077
292 H ASP 40 H ASP 40 -0.779 -1.603 -11.235
293 HA ASP 40 HA ASP 40 -3.380 -0.378 -10.632
294 HB2 ASP 40 1HB ASP 40 -2.186 1.758 -11.328
295 HB3 ASP 40 2HB ASP 40 -1.618 1.000 -9.843
296 H GLU 41 H GLU 41 -3.745 1.468 -12.478
297 HA GLU 41 HA GLU 41 -4.630 0.032 -14.736
298 HB2 GLU 41 1HB GLU 41 -5.367 2.135 -15.606
299 HB3 GLU 41 2HB GLU 41 -5.629 2.161 -13.867
300 HG2 GLU 41 1HG GLU 41 -3.484 3.414 -13.640
301 HG3 GLU 41 2HG GLU 41 -3.427 3.518 -15.398
302 H LYS 42 H LYS 42 -1.619 1.480 -13.972
303 HA LYS 42 HA LYS 42 -0.763 1.557 -16.764
304 HB2 LYS 42 1HB LYS 42 0.418 2.547 -14.186
305 HB3 LYS 42 2HB LYS 42 1.419 2.383 -15.623
306 HG2 LYS 42 1HG LYS 42 0.038 3.941 -16.825
307 HG3 LYS 42 2HG LYS 42 -1.104 4.021 -15.482
308 HD2 LYS 42 1HD LYS 42 0.113 5.894 -15.030
309 HD3 LYS 42 2HD LYS 42 1.093 4.712 -14.158
310 HE2 LYS 42 1HE LYS 42 1.667 5.292 -17.033
311 HE3 LYS 42 2HE LYS 42 2.223 6.409 -15.788
312 HZ1 LYS 42 3HZ LYS 42 3.008 3.605 -16.239
313 HZ2 LYS 42 1HZ LYS 42 3.174 4.297 -14.704
314 HZ3 LYS 42 2HZ LYS 42 3.990 4.966 -16.026
315 H ARG 43 H ARG 43 -1.320 -0.941 -15.178
316 HA ARG 43 HA ARG 43 -0.433 -3.014 -14.844
317 HB2 ARG 43 1HB ARG 43 1.183 -2.023 -17.187
318 HB3 ARG 43 2HB ARG 43 1.344 -3.658 -16.560
319 HG2 ARG 43 1HG ARG 43 -0.171 -3.985 -18.238
320 HG3 ARG 43 2HG ARG 43 -1.252 -3.711 -16.871
321 HD2 ARG 43 1HD ARG 43 -1.966 -2.449 -18.838
322 HD3 ARG 43 2HD ARG 43 -1.499 -1.375 -17.520
323 HE ARG 43 HE ARG 43 0.198 -0.570 -18.826
324 HH11 ARG 43 1HH1 ARG 43 -0.971 -3.553 -20.188
325 HH12 ARG 43 2HH1 ARG 43 -0.032 -3.412 -21.637
326 HH21 ARG 43 1HH2 ARG 43 1.440 -0.373 -20.729
327 HH22 ARG 43 2HH2 ARG 43 1.340 -1.603 -21.944
328 H ASN 44 H ASN 44 0.692 -0.799 -13.293
329 HA ASN 44 HA ASN 44 3.419 -1.808 -12.836
330 HB2 ASN 44 1HB ASN 44 2.178 0.883 -12.602
331 HB3 ASN 44 2HB ASN 44 3.408 0.466 -11.414
332 HD21 ASN 44 2HD2 ASN 44 4.628 2.195 -12.372
333 HD22 ASN 44 1HD2 ASN 44 5.541 1.905 -13.810
334 H LEU 45 H LEU 45 4.123 -2.177 -10.691
335 HA LEU 45 HA LEU 45 1.932 -2.878 -8.872
336 HB2 LEU 45 1HB LEU 45 4.779 -3.692 -8.468
337 HB3 LEU 45 2HB LEU 45 3.304 -4.496 -7.935
338 HG LEU 45 HG LEU 45 4.214 -4.365 -10.807
339 HD11 LEU 45 1HD1 LEU 45 4.887 -6.224 -8.602
340 HD12 LEU 45 2HD1 LEU 45 5.830 -5.744 -10.013
341 HD13 LEU 45 3HD1 LEU 45 4.534 -6.929 -10.180
342 HD21 LEU 45 3HD2 LEU 45 2.561 -6.551 -10.397
343 HD22 LEU 45 1HD2 LEU 45 2.128 -5.038 -11.193
344 HD23 LEU 45 2HD2 LEU 45 1.801 -5.254 -9.473
345 H GLN 46 H GLN 46 1.529 -1.609 -7.196
346 HA GLN 46 HA GLN 46 3.746 -0.213 -5.887
347 HB2 GLN 46 1HB GLN 46 1.139 1.164 -6.533
348 HB3 GLN 46 2HB GLN 46 2.579 1.881 -5.822
349 HG2 GLN 46 1HG GLN 46 2.383 0.774 -8.614
350 HG3 GLN 46 2HG GLN 46 2.293 2.480 -8.179
351 HE21 GLN 46 2HE2 GLN 46 4.129 2.048 -9.922
352 HE22 GLN 46 1HE2 GLN 46 5.717 1.981 -9.246
353 H CYS 47 H CYS 47 3.164 0.607 -3.727
354 HA CYS 47 HA CYS 47 1.380 -1.288 -2.399
355 HB2 CYS 47 1HB CYS 47 3.760 -0.891 -1.622
356 HB3 CYS 47 2HB CYS 47 3.238 0.708 -1.101
357 H ILE 48 H ILE 48 -0.669 -0.668 -2.212
358 HA ILE 48 HA ILE 48 -1.283 2.172 -1.826
359 HB ILE 48 HB ILE 48 -3.183 -0.091 -2.446
360 HG12 ILE 48 1HG1 ILE 48 -3.139 1.467 -4.674
361 HG13 ILE 48 2HG1 ILE 48 -1.463 1.600 -4.151
362 HG21 ILE 48 1HG2 ILE 48 -4.241 1.796 -1.324
363 HG22 ILE 48 2HG2 ILE 48 -3.562 2.900 -2.519
364 HG23 ILE 48 3HG2 ILE 48 -4.756 1.698 -3.007
365 HD11 ILE 48 3HD1 ILE 48 -2.101 -1.114 -3.967
366 HD12 ILE 48 1HD1 ILE 48 -2.787 -0.555 -5.492
367 HD13 ILE 48 2HD1 ILE 48 -1.070 -0.325 -5.160
368 H CYS 49 H CYS 49 -2.489 2.917 -0.102
369 HA CYS 49 HA CYS 49 -2.872 1.002 2.107
370 HB2 CYS 49 1HB CYS 49 -2.357 3.955 2.450
371 HB3 CYS 49 2HB CYS 49 -2.282 2.692 3.674
372 H ASP 50 H ASP 50 -4.858 0.823 2.928
373 HA ASP 50 HA ASP 50 -6.898 2.734 2.013
374 HB2 ASP 50 1HB ASP 50 -6.877 -0.001 1.803
375 HB3 ASP 50 2HB ASP 50 -7.830 0.245 3.265
376 H TYR 51 H TYR 51 -7.266 4.258 3.486
377 HA TYR 51 HA TYR 51 -7.187 3.545 6.331
378 HB2 TYR 51 1HB TYR 51 -5.774 5.408 5.828
379 HB3 TYR 51 2HB TYR 51 -7.044 6.204 4.906
380 HD1 TYR 51 HD2 TYR 51 -7.272 4.603 8.258
381 HD2 TYR 51 HD1 TYR 51 -7.356 8.228 6.032
382 HE1 TYR 51 HE2 TYR 51 -7.969 5.820 10.278
383 HE2 TYR 51 HE1 TYR 51 -8.052 9.456 8.047
384 HH TYR 51 HH TYR 51 -9.225 8.915 10.219
385 H CYS 52 H CYS 52 -8.998 3.372 7.470
386 HA CYS 52 HA CYS 52 -11.399 4.803 6.599
387 HB2 CYS 52 1HB CYS 52 -11.322 2.374 5.738
388 HB3 CYS 52 2HB CYS 52 -11.572 1.912 7.419
389 H GLU 53 H GLU 53 -12.872 5.272 8.244
390 HA GLU 53 HA GLU 53 -11.772 4.971 10.951
391 HB2 GLU 53 1HB GLU 53 -13.782 6.939 9.845
392 HB3 GLU 53 2HB GLU 53 -13.298 6.856 11.533
393 HG2 GLU 53 1HG GLU 53 -11.167 7.650 11.098
394 HG3 GLU 53 2HG GLU 53 -11.249 7.223 9.390
395 H TYR 54 H TYR 54 -12.574 3.183 11.870
396 HA TYR 54 HA TYR 54 -15.085 2.042 11.288
397 HB2 TYR 54 1HB TYR 54 -14.672 0.615 13.250
398 HB3 TYR 54 2HB TYR 54 -13.247 0.729 12.223
399 HD1 TYR 54 HD1 TYR 54 -14.729 1.757 15.430
400 HD2 TYR 54 HD2 TYR 54 -11.230 1.768 13.010
401 HE1 TYR 54 HE1 TYR 54 -13.397 2.468 17.371
402 HE2 TYR 54 HE2 TYR 54 -9.887 2.478 14.945
403 HH TYR 54 HH TYR 54 -10.895 3.864 17.473
Start of MODEL 3
1 H1 ASP 2 H ASP 2 -18.036 4.376 4.974
2 HA ASP 2 HA ASP 2 -16.717 5.582 2.731
3 HB2 ASP 2 1HB ASP 2 -18.455 6.728 4.135
4 HB3 ASP 2 2HB ASP 2 -17.272 6.805 5.438
5 H CYS 3 H CYS 3 -14.633 5.053 2.433
6 HA CYS 3 HA CYS 3 -12.769 5.651 4.618
7 HB2 CYS 3 1HB CYS 3 -12.382 3.254 2.832
8 HB3 CYS 3 2HB CYS 3 -11.526 3.655 4.317
9 H LYS 4 H LYS 4 -10.433 5.609 3.704
10 HA LYS 4 HA LYS 4 -10.450 6.884 1.046
11 HB2 LYS 4 1HB LYS 4 -8.409 8.155 1.962
12 HB3 LYS 4 2HB LYS 4 -10.004 8.655 2.511
13 HG2 LYS 4 1HG LYS 4 -9.706 7.493 4.596
14 HG3 LYS 4 2HG LYS 4 -8.169 6.824 4.043
15 HD2 LYS 4 1HD LYS 4 -7.802 8.719 5.530
16 HD3 LYS 4 2HD LYS 4 -7.243 9.091 3.898
17 HE2 LYS 4 1HE LYS 4 -9.176 10.418 3.461
18 HE3 LYS 4 2HE LYS 4 -9.953 9.880 4.950
19 HZ1 LYS 4 3HZ LYS 4 -9.143 11.832 5.693
20 HZ2 LYS 4 1HZ LYS 4 -7.892 11.895 4.555
21 HZ3 LYS 4 2HZ LYS 4 -7.732 10.929 5.935
22 H ARG 5 H ARG 5 -8.658 6.522 -0.300
23 HA ARG 5 HA ARG 5 -6.644 4.606 0.576
24 HB2 ARG 5 1HB ARG 5 -7.024 3.210 -1.466
25 HB3 ARG 5 2HB ARG 5 -8.321 3.126 -0.281
26 HG2 ARG 5 1HG ARG 5 -9.486 3.310 -2.251
27 HG3 ARG 5 2HG ARG 5 -9.405 4.993 -1.726
28 HD2 ARG 5 1HD ARG 5 -8.151 5.592 -3.481
29 HD3 ARG 5 2HD ARG 5 -7.114 4.173 -3.334
30 HE ARG 5 HE ARG 5 -9.609 3.397 -4.374
31 HH11 ARG 5 1HH1 ARG 5 -6.752 5.173 -5.270
32 HH12 ARG 5 2HH1 ARG 5 -6.912 4.830 -6.962
33 HH21 ARG 5 1HH2 ARG 5 -9.830 2.940 -6.597
34 HH22 ARG 5 2HH2 ARG 5 -8.663 3.561 -7.715
35 H LYS 6 H LYS 6 -4.724 4.724 -0.556
36 HA LYS 6 HA LYS 6 -4.504 6.267 -2.976
37 HB2 LYS 6 1HB LYS 6 -4.568 8.043 -1.266
38 HB3 LYS 6 2HB LYS 6 -3.205 7.293 -0.445
39 HG2 LYS 6 1HG LYS 6 -1.700 7.946 -2.055
40 HG3 LYS 6 2HG LYS 6 -2.936 8.079 -3.308
41 HD2 LYS 6 1HD LYS 6 -3.702 10.135 -2.492
42 HD3 LYS 6 2HD LYS 6 -2.922 9.905 -0.926
43 HE2 LYS 6 1HE LYS 6 -1.361 10.156 -3.483
44 HE3 LYS 6 2HE LYS 6 -1.841 11.561 -2.532
45 HZ1 LYS 6 3HZ LYS 6 -0.687 10.501 -0.615
46 HZ2 LYS 6 1HZ LYS 6 0.342 10.953 -1.879
47 HZ3 LYS 6 2HZ LYS 6 -0.085 9.330 -1.676
48 H VAL 7 H VAL 7 -2.443 6.090 -3.968
49 HA VAL 7 HA VAL 7 -0.878 3.824 -2.946
50 HB VAL 7 HB VAL 7 -1.736 3.483 -5.183
51 HG11 VAL 7 1HG1 VAL 7 -2.069 5.731 -5.925
52 HG12 VAL 7 2HG1 VAL 7 -0.341 6.074 -5.835
53 HG13 VAL 7 3HG1 VAL 7 -0.957 4.950 -7.047
54 HG21 VAL 7 3HG2 VAL 7 0.381 3.070 -6.379
55 HG22 VAL 7 1HG2 VAL 7 1.228 4.042 -5.175
56 HG23 VAL 7 2HG2 VAL 7 0.442 2.537 -4.699
57 H TYR 8 H TYR 8 1.290 3.965 -2.574
58 HA TYR 8 HA TYR 8 2.473 6.656 -2.779
59 HB2 TYR 8 1HB TYR 8 2.159 5.028 -0.530
60 HB3 TYR 8 2HB TYR 8 3.858 4.872 -0.956
61 HD1 TYR 8 HD2 TYR 8 4.731 7.416 -1.826
62 HD2 TYR 8 HD1 TYR 8 1.870 6.526 1.195
63 HE1 TYR 8 HE2 TYR 8 5.203 9.577 -0.750
64 HE2 TYR 8 HE1 TYR 8 2.334 8.684 2.278
65 HH TYR 8 HH TYR 8 4.255 10.326 2.363
66 H GLU 9 H GLU 9 3.361 6.406 -4.825
67 HA GLU 9 HA GLU 9 4.914 4.158 -5.599
68 HB2 GLU 9 1HB GLU 9 5.553 5.494 -7.530
69 HB3 GLU 9 2HB GLU 9 3.829 5.653 -7.226
70 HG2 GLU 9 1HG GLU 9 4.336 7.794 -6.026
71 HG3 GLU 9 2HG GLU 9 5.990 7.650 -6.617
72 H ASN 10 H ASN 10 5.555 6.755 -3.541
73 HA ASN 10 HA ASN 10 8.305 7.174 -4.035
74 HB2 ASN 10 1HB ASN 10 6.687 8.607 -2.641
75 HB3 ASN 10 2HB ASN 10 7.005 7.471 -1.333
76 HD21 ASN 10 2HD2 ASN 10 8.780 7.727 -0.139
77 HD22 ASN 10 1HD2 ASN 10 10.035 8.870 -0.458
78 H TYR 11 H TYR 11 6.597 4.605 -2.561
79 HA TYR 11 HA TYR 11 8.871 3.666 -1.017
80 HB2 TYR 11 1HB TYR 11 6.018 3.135 -1.091
81 HB3 TYR 11 2HB TYR 11 6.948 1.640 -1.076
82 HD1 TYR 11 HD2 TYR 11 7.732 4.892 0.557
83 HD2 TYR 11 HD1 TYR 11 6.656 0.810 1.086
84 HE1 TYR 11 HE2 TYR 11 8.061 5.125 2.984
85 HE2 TYR 11 HE1 TYR 11 6.980 1.032 3.514
86 HH TYR 11 HH TYR 11 8.422 3.854 4.924
87 HA PRO 12 HA PRO 12 10.580 0.975 -4.033
88 HB2 PRO 12 1HB PRO 12 11.432 -1.086 -2.485
89 HB3 PRO 12 2HB PRO 12 12.223 0.494 -2.500
90 HG2 PRO 12 1HG PRO 12 10.253 -0.617 -0.540
91 HG3 PRO 12 2HG PRO 12 11.734 0.309 -0.235
92 HD2 PRO 12 1HD PRO 12 9.272 1.436 -0.176
93 HD3 PRO 12 2HD PRO 12 10.717 2.325 -0.697
94 H VAL 13 H VAL 13 9.881 -0.562 -5.408
95 HA VAL 13 HA VAL 13 7.358 -1.797 -5.006
96 HB VAL 13 HB VAL 13 8.299 -1.149 -7.237
97 HG11 VAL 13 1HG1 VAL 13 10.567 -2.103 -6.796
98 HG12 VAL 13 2HG1 VAL 13 9.871 -3.710 -7.009
99 HG13 VAL 13 3HG1 VAL 13 9.871 -2.563 -8.349
100 HG21 VAL 13 3HG2 VAL 13 6.407 -2.838 -6.775
101 HG22 VAL 13 1HG2 VAL 13 7.121 -2.795 -8.388
102 HG23 VAL 13 2HG2 VAL 13 7.586 -4.061 -7.250
103 H SER 14 H SER 14 10.653 -2.824 -4.525
104 HA SER 14 HA SER 14 10.383 -5.583 -4.526
105 HB2 SER 14 1HB SER 14 12.101 -4.121 -2.525
106 HB3 SER 14 2HB SER 14 12.410 -5.670 -3.307
107 HG SER 14 HG SER 14 12.907 -3.122 -4.193
108 H LYS 15 H LYS 15 9.341 -3.242 -2.175
109 HA LYS 15 HA LYS 15 8.965 -5.030 -0.002
110 HB2 LYS 15 1HB LYS 15 8.283 -2.237 -0.637
111 HB3 LYS 15 2HB LYS 15 7.163 -3.032 0.462
112 HG2 LYS 15 1HG LYS 15 8.949 -1.816 1.632
113 HG3 LYS 15 2HG LYS 15 8.953 -3.545 1.991
114 HD2 LYS 15 1HD LYS 15 10.952 -3.879 0.988
115 HD3 LYS 15 2HD LYS 15 10.627 -2.702 -0.288
116 HE2 LYS 15 1HE LYS 15 12.304 -1.647 0.880
117 HE3 LYS 15 2HE LYS 15 10.872 -0.970 1.652
118 HZ1 LYS 15 3HZ LYS 15 12.349 -3.317 2.704
119 HZ2 LYS 15 1HZ LYS 15 11.119 -2.449 3.476
120 HZ3 LYS 15 2HZ LYS 15 12.627 -1.729 3.216
121 H CYS 16 H CYS 16 7.048 -4.151 -2.776
122 HA CYS 16 HA CYS 16 4.508 -4.903 -1.985
123 HB2 CYS 16 1HB CYS 16 4.919 -3.853 -4.135
124 HB3 CYS 16 2HB CYS 16 5.832 -5.255 -4.681
125 H GLN 17 H GLN 17 7.257 -6.893 -2.789
126 HA GLN 17 HA GLN 17 5.993 -9.333 -3.265
127 HB2 GLN 17 1HB GLN 17 8.638 -8.931 -1.862
128 HB3 GLN 17 2HB GLN 17 8.109 -10.376 -2.712
129 HG2 GLN 17 1HG GLN 17 8.004 -8.996 -4.799
130 HG3 GLN 17 2HG GLN 17 8.775 -7.695 -3.893
131 HE21 GLN 17 2HE2 GLN 17 10.927 -7.784 -3.478
132 HE22 GLN 17 1HE2 GLN 17 11.973 -9.018 -4.085
133 H LEU 18 H LEU 18 6.412 -7.564 -0.336
134 HA LEU 18 HA LEU 18 5.539 -9.887 1.245
135 HB2 LEU 18 1HB LEU 18 6.739 -7.290 2.193
136 HB3 LEU 18 2HB LEU 18 6.331 -8.677 3.200
137 HG LEU 18 HG LEU 18 8.374 -8.836 0.999
138 HD11 LEU 18 1HD1 LEU 18 9.360 -7.211 2.310
139 HD12 LEU 18 2HD1 LEU 18 9.982 -8.697 3.028
140 HD13 LEU 18 3HD1 LEU 18 8.652 -7.835 3.801
141 HD21 LEU 18 3HD2 LEU 18 8.479 -10.971 1.587
142 HD22 LEU 18 1HD2 LEU 18 7.174 -10.713 2.744
143 HD23 LEU 18 2HD2 LEU 18 8.852 -10.512 3.248
144 H ALA 19 H ALA 19 3.622 -9.875 2.280
145 HA ALA 19 HA ALA 19 1.801 -7.684 1.702
146 HB1 ALA 19 3HB ALA 19 1.531 -10.517 2.470
147 HB2 ALA 19 1HB ALA 19 0.285 -9.428 3.080
148 HB3 ALA 19 2HB ALA 19 0.581 -9.548 1.345
149 H ASN 20 H ASN 20 3.415 -9.164 4.442
150 HA ASN 20 HA ASN 20 1.937 -7.713 6.422
151 HB2 ASN 20 1HB ASN 20 4.558 -9.213 6.618
152 HB3 ASN 20 2HB ASN 20 3.650 -8.583 7.990
153 HD21 ASN 20 2HD2 ASN 20 4.158 -11.211 5.998
154 HD22 ASN 20 1HD2 ASN 20 2.779 -12.151 6.445
155 H GLN 21 H GLN 21 4.625 -7.038 4.403
156 HA GLN 21 HA GLN 21 5.774 -5.001 6.080
157 HB2 GLN 21 1HB GLN 21 7.170 -6.250 4.503
158 HB3 GLN 21 2HB GLN 21 6.220 -5.634 3.157
159 HG2 GLN 21 1HG GLN 21 8.474 -4.534 3.664
160 HG3 GLN 21 2HG GLN 21 7.084 -3.493 3.359
161 HE21 GLN 21 2HE2 GLN 21 8.607 -5.159 6.100
162 HE22 GLN 21 1HE2 GLN 21 8.494 -3.825 7.193
163 H CYS 22 H CYS 22 3.670 -5.100 3.240
164 HA CYS 22 HA CYS 22 3.554 -2.343 2.747
165 HB2 CYS 22 1HB CYS 22 2.146 -4.722 1.875
166 HB3 CYS 22 2HB CYS 22 1.044 -3.362 2.056
167 H ASN 23 H ASN 23 1.065 -4.341 4.346
168 HA ASN 23 HA ASN 23 -0.486 -2.240 5.299
169 HB2 ASN 23 1HB ASN 23 -1.667 -3.825 6.504
170 HB3 ASN 23 2HB ASN 23 -0.888 -4.835 5.290
171 HD21 ASN 23 2HD2 ASN 23 -1.702 -4.834 8.367
172 HD22 ASN 23 1HD2 ASN 23 -0.408 -5.746 9.058
173 H TYR 24 H TYR 24 2.478 -3.580 6.525
174 HA TYR 24 HA TYR 24 2.323 -2.534 9.154
175 HB2 TYR 24 1HB TYR 24 3.874 -4.296 8.766
176 HB3 TYR 24 2HB TYR 24 4.641 -3.426 7.442
177 HD1 TYR 24 HD1 TYR 24 4.177 -3.449 11.119
178 HD2 TYR 24 HD2 TYR 24 6.433 -1.939 7.843
179 HE1 TYR 24 HE1 TYR 24 5.835 -2.538 12.689
180 HE2 TYR 24 HE2 TYR 24 8.099 -1.024 9.404
181 HH TYR 24 HH TYR 24 8.203 -1.871 12.685
182 H ASP 25 H ASP 25 3.946 -1.368 6.212
183 HA ASP 25 HA ASP 25 4.847 1.054 7.429
184 HB2 ASP 25 1HB ASP 25 5.834 1.546 5.394
185 HB3 ASP 25 2HB ASP 25 5.739 -0.212 5.311
186 H CYS 26 H CYS 26 1.971 0.059 5.747
187 HA CYS 26 HA CYS 26 1.025 2.708 5.193
188 HB2 CYS 26 1HB CYS 26 -0.290 -0.008 5.142
189 HB3 CYS 26 2HB CYS 26 -1.165 1.475 4.770
190 H LYS 27 H LYS 27 -0.009 0.181 7.487
191 HA LYS 27 HA LYS 27 -1.814 1.850 8.887
192 HB2 LYS 27 1HB LYS 27 -0.428 -0.668 9.824
193 HB3 LYS 27 2HB LYS 27 -1.833 0.071 10.581
194 HG2 LYS 27 1HG LYS 27 -3.259 -0.610 8.921
195 HG3 LYS 27 2HG LYS 27 -1.980 -0.692 7.707
196 HD2 LYS 27 1HD LYS 27 -2.448 -2.929 8.123
197 HD3 LYS 27 2HD LYS 27 -1.050 -2.622 9.157
198 HE2 LYS 27 1HE LYS 27 -3.809 -2.253 10.242
199 HE3 LYS 27 2HE LYS 27 -3.140 -3.877 10.100
200 HZ1 LYS 27 3HZ LYS 27 -2.228 -1.643 11.787
201 HZ2 LYS 27 1HZ LYS 27 -1.136 -2.850 11.325
202 HZ3 LYS 27 2HZ LYS 27 -2.518 -3.254 12.213
203 H LEU 28 H LEU 28 1.547 1.783 8.832
204 HA LEU 28 HA LEU 28 1.998 2.572 11.562
205 HB2 LEU 28 1HB LEU 28 3.779 1.423 10.554
206 HB3 LEU 28 2HB LEU 28 3.716 2.427 9.107
207 HG LEU 28 HG LEU 28 4.664 4.296 10.327
208 HD11 LEU 28 1HD1 LEU 28 4.011 4.271 12.504
209 HD12 LEU 28 2HD1 LEU 28 5.610 3.549 12.689
210 HD13 LEU 28 3HD1 LEU 28 4.178 2.521 12.654
211 HD21 LEU 28 3HD2 LEU 28 6.868 3.162 11.006
212 HD22 LEU 28 1HD2 LEU 28 6.328 3.002 9.334
213 HD23 LEU 28 2HD2 LEU 28 6.100 1.668 10.465
214 H ASP 29 H ASP 29 2.536 4.258 8.461
215 HA ASP 29 HA ASP 29 2.342 6.817 9.855
216 HB2 ASP 29 1HB ASP 29 3.521 5.881 7.305
217 HB3 ASP 29 2HB ASP 29 2.847 7.508 7.291
218 H LYS 30 H LYS 30 0.936 5.224 6.996
219 HA LYS 30 HA LYS 30 -1.047 7.225 6.593
220 HB2 LYS 30 1HB LYS 30 -1.255 4.387 5.616
221 HB3 LYS 30 2HB LYS 30 -1.881 5.848 4.866
222 HG2 LYS 30 1HG LYS 30 1.003 5.010 5.071
223 HG3 LYS 30 2HG LYS 30 0.007 5.068 3.614
224 HD2 LYS 30 1HD LYS 30 0.790 7.440 5.310
225 HD3 LYS 30 2HD LYS 30 1.515 6.997 3.763
226 HE2 LYS 30 1HE LYS 30 -0.675 7.275 2.681
227 HE3 LYS 30 2HE LYS 30 -1.369 7.755 4.228
228 HZ1 LYS 30 3HZ LYS 30 -0.678 9.818 3.901
229 HZ2 LYS 30 1HZ LYS 30 -0.140 9.384 2.356
230 HZ3 LYS 30 2HZ LYS 30 0.921 9.312 3.672
231 H HIS 31 H HIS 31 -0.736 4.821 8.902
232 HA HIS 31 HA HIS 31 -2.143 3.853 10.413
233 HB2 HIS 31 1HB HIS 31 -3.430 6.510 9.868
234 HB3 HIS 31 2HB HIS 31 -4.181 5.369 10.979
235 HD1 HIS 31 HD1 HIS 31 -2.280 4.460 12.870
236 HD2 HIS 31 HD2 HIS 31 -1.800 8.218 11.163
237 HE1 HIS 31 HE1 HIS 31 -0.769 5.721 14.436
238 H ALA 32 H ALA 32 -2.556 3.279 7.530
239 HA ALA 32 HA ALA 32 -5.280 3.058 6.903
240 HB1 ALA 32 3HB ALA 32 -2.887 2.434 5.654
241 HB2 ALA 32 1HB ALA 32 -3.704 0.880 5.821
242 HB3 ALA 32 2HB ALA 32 -4.507 2.214 4.993
243 H ARG 33 H ARG 33 -5.735 0.402 6.274
244 HA ARG 33 HA ARG 33 -5.703 -0.971 8.874
245 HB2 ARG 33 1HB ARG 33 -7.916 0.181 8.334
246 HB3 ARG 33 2HB ARG 33 -8.094 -0.996 7.040
247 HG2 ARG 33 1HG ARG 33 -7.768 -2.766 8.861
248 HG3 ARG 33 2HG ARG 33 -8.072 -1.452 10.000
249 HD2 ARG 33 1HD ARG 33 -10.233 -1.982 9.747
250 HD3 ARG 33 2HD ARG 33 -10.109 -1.140 8.204
251 HE ARG 33 HE ARG 33 -9.342 -3.864 7.956
252 HH11 ARG 33 1HH1 ARG 33 -12.114 -1.778 8.241
253 HH12 ARG 33 2HH1 ARG 33 -13.179 -2.864 7.413
254 HH21 ARG 33 1HH2 ARG 33 -10.735 -5.303 6.866
255 HH22 ARG 33 2HH2 ARG 33 -12.395 -4.870 6.632
256 H SER 34 H SER 34 -6.152 -1.250 5.375
257 HA SER 34 HA SER 34 -5.096 -3.995 5.545
258 HB2 SER 34 1HB SER 34 -7.557 -3.889 4.992
259 HB3 SER 34 2HB SER 34 -7.116 -3.056 3.501
260 HG SER 34 HG SER 34 -7.332 -5.310 3.187
261 H GLY 35 H GLY 35 -3.524 -1.681 5.195
262 HA2 GLY 35 1HA GLY 35 -2.955 -0.878 2.621
263 HA3 GLY 35 2HA GLY 35 -1.752 -1.010 3.894
264 H GLU 36 H GLU 36 -2.512 -1.997 0.851
265 HA GLU 36 HA GLU 36 -0.504 -4.090 0.936
266 HB2 GLU 36 1HB GLU 36 -2.934 -5.029 1.293
267 HB3 GLU 36 2HB GLU 36 -3.066 -4.788 -0.444
268 HG2 GLU 36 1HG GLU 36 -1.340 -6.322 -0.893
269 HG3 GLU 36 2HG GLU 36 -0.823 -6.351 0.792
270 H CYS 37 H CYS 37 0.001 -4.884 -1.313
271 HA CYS 37 HA CYS 37 -0.138 -2.605 -3.161
272 HB2 CYS 37 1HB CYS 37 1.873 -3.407 -4.158
273 HB3 CYS 37 2HB CYS 37 2.108 -3.493 -2.416
274 H PHE 38 H PHE 38 -0.543 -2.954 -5.393
275 HA PHE 38 HA PHE 38 -1.359 -5.513 -6.376
276 HB2 PHE 38 1HB PHE 38 -3.386 -3.589 -5.385
277 HB3 PHE 38 2HB PHE 38 -3.723 -4.351 -6.934
278 HD1 PHE 38 HD1 PHE 38 -3.025 -7.021 -6.813
279 HD2 PHE 38 HD2 PHE 38 -4.436 -4.585 -3.620
280 HE1 PHE 38 HE1 PHE 38 -3.841 -9.028 -5.647
281 HE2 PHE 38 HE2 PHE 38 -5.253 -6.588 -2.449
282 HZ PHE 38 HZ PHE 38 -4.956 -8.814 -3.462
283 H TYR 39 H TYR 39 -1.861 -5.485 -8.634
284 HA TYR 39 HA TYR 39 -0.312 -3.703 -10.132
285 HB2 TYR 39 1HB TYR 39 -1.452 -4.691 -12.110
286 HB3 TYR 39 2HB TYR 39 -0.854 -5.904 -10.983
287 HD1 TYR 39 HD2 TYR 39 -3.889 -4.196 -12.209
288 HD2 TYR 39 HD1 TYR 39 -2.341 -7.410 -9.892
289 HE1 TYR 39 HE2 TYR 39 -6.135 -5.193 -12.103
290 HE2 TYR 39 HE1 TYR 39 -4.582 -8.417 -9.780
291 HH TYR 39 HH TYR 39 -6.750 -8.138 -10.229
292 H ASP 40 H ASP 40 -0.798 -1.943 -11.407
293 HA ASP 40 HA ASP 40 -3.323 -0.598 -10.754
294 HB2 ASP 40 1HB ASP 40 -0.800 0.362 -10.581
295 HB3 ASP 40 2HB ASP 40 -1.213 0.878 -12.214
296 H GLU 41 H GLU 41 -3.694 1.137 -12.740
297 HA GLU 41 HA GLU 41 -4.748 -0.480 -14.828
298 HB2 GLU 41 1HB GLU 41 -5.489 1.621 -15.823
299 HB3 GLU 41 2HB GLU 41 -5.840 1.594 -14.101
300 HG2 GLU 41 1HG GLU 41 -3.565 2.837 -13.894
301 HG3 GLU 41 2HG GLU 41 -3.830 3.208 -15.597
302 H LYS 42 H LYS 42 -1.745 1.105 -14.336
303 HA LYS 42 HA LYS 42 -1.059 0.958 -17.180
304 HB2 LYS 42 1HB LYS 42 0.407 2.194 -14.843
305 HB3 LYS 42 2HB LYS 42 0.998 2.188 -16.500
306 HG2 LYS 42 1HG LYS 42 -1.651 3.384 -15.752
307 HG3 LYS 42 2HG LYS 42 -0.143 4.300 -15.686
308 HD2 LYS 42 1HD LYS 42 0.236 3.815 -18.067
309 HD3 LYS 42 2HD LYS 42 -1.293 2.937 -18.123
310 HE2 LYS 42 1HE LYS 42 -2.301 5.152 -17.221
311 HE3 LYS 42 2HE LYS 42 -0.803 5.873 -17.805
312 HZ1 LYS 42 3HZ LYS 42 -2.965 4.596 -19.339
313 HZ2 LYS 42 1HZ LYS 42 -1.396 4.629 -19.972
314 HZ3 LYS 42 2HZ LYS 42 -2.193 6.076 -19.609
315 H ARG 43 H ARG 43 -1.361 -1.394 -15.386
316 HA ARG 43 HA ARG 43 -0.329 -3.373 -14.937
317 HB2 ARG 43 1HB ARG 43 1.308 -2.389 -17.270
318 HB3 ARG 43 2HB ARG 43 1.563 -3.969 -16.539
319 HG2 ARG 43 1HG ARG 43 0.143 -4.553 -18.212
320 HG3 ARG 43 2HG ARG 43 -1.037 -4.184 -16.953
321 HD2 ARG 43 1HD ARG 43 -1.710 -3.151 -19.031
322 HD3 ARG 43 2HD ARG 43 -1.257 -1.906 -17.868
323 HE ARG 43 HE ARG 43 0.467 -1.293 -19.245
324 HH11 ARG 43 1HH1 ARG 43 -0.737 -4.408 -20.230
325 HH12 ARG 43 2HH1 ARG 43 0.207 -4.459 -21.682
326 HH21 ARG 43 1HH2 ARG 43 1.715 -1.349 -21.154
327 HH22 ARG 43 2HH2 ARG 43 1.602 -2.719 -22.206
328 H ASN 44 H ASN 44 0.591 -0.896 -13.573
329 HA ASN 44 HA ASN 44 3.355 -1.660 -12.925
330 HB2 ASN 44 1HB ASN 44 1.837 0.918 -12.741
331 HB3 ASN 44 2HB ASN 44 3.223 0.650 -11.690
332 HD21 ASN 44 2HD2 ASN 44 3.235 2.692 -13.485
333 HD22 ASN 44 1HD2 ASN 44 4.368 2.361 -14.748
334 H LEU 45 H LEU 45 3.893 -2.379 -10.942
335 HA LEU 45 HA LEU 45 1.722 -2.882 -9.066
336 HB2 LEU 45 1HB LEU 45 4.555 -3.762 -8.677
337 HB3 LEU 45 2HB LEU 45 3.069 -4.512 -8.096
338 HG LEU 45 HG LEU 45 3.950 -4.477 -10.982
339 HD11 LEU 45 1HD1 LEU 45 5.433 -5.774 -9.403
340 HD12 LEU 45 2HD1 LEU 45 4.701 -6.700 -10.713
341 HD13 LEU 45 3HD1 LEU 45 4.040 -6.806 -9.083
342 HD21 LEU 45 3HD2 LEU 45 1.679 -4.797 -11.086
343 HD22 LEU 45 1HD2 LEU 45 1.606 -5.582 -9.508
344 HD23 LEU 45 2HD2 LEU 45 2.237 -6.461 -10.901
345 H GLN 46 H GLN 46 1.400 -1.723 -7.286
346 HA GLN 46 HA GLN 46 3.635 -0.321 -6.037
347 HB2 GLN 46 1HB GLN 46 1.057 1.136 -6.589
348 HB3 GLN 46 2HB GLN 46 2.579 1.803 -6.013
349 HG2 GLN 46 1HG GLN 46 3.576 1.152 -8.226
350 HG3 GLN 46 2HG GLN 46 1.938 0.792 -8.766
351 HE21 GLN 46 2HE2 GLN 46 1.585 2.356 -10.216
352 HE22 GLN 46 1HE2 GLN 46 1.661 4.049 -9.882
353 H CYS 47 H CYS 47 3.092 0.501 -3.872
354 HA CYS 47 HA CYS 47 1.275 -1.352 -2.533
355 HB2 CYS 47 1HB CYS 47 3.654 -1.032 -1.760
356 HB3 CYS 47 2HB CYS 47 3.206 0.598 -1.268
357 H ILE 48 H ILE 48 -0.758 -0.690 -2.324
358 HA ILE 48 HA ILE 48 -1.308 2.164 -1.934
359 HB ILE 48 HB ILE 48 -3.262 -0.057 -2.540
360 HG12 ILE 48 1HG1 ILE 48 -3.194 1.509 -4.767
361 HG13 ILE 48 2HG1 ILE 48 -1.511 1.584 -4.257
362 HG21 ILE 48 1HG2 ILE 48 -4.826 1.722 -3.040
363 HG22 ILE 48 2HG2 ILE 48 -4.219 1.901 -1.395
364 HG23 ILE 48 3HG2 ILE 48 -3.599 2.936 -2.680
365 HD11 ILE 48 3HD1 ILE 48 -2.298 -1.113 -4.087
366 HD12 ILE 48 1HD1 ILE 48 -2.881 -0.496 -5.633
367 HD13 ILE 48 2HD1 ILE 48 -1.171 -0.370 -5.223
368 H CYS 49 H CYS 49 -2.411 2.944 -0.176
369 HA CYS 49 HA CYS 49 -2.864 1.029 2.019
370 HB2 CYS 49 1HB CYS 49 -2.201 3.954 2.359
371 HB3 CYS 49 2HB CYS 49 -2.200 2.697 3.592
372 H ASP 50 H ASP 50 -4.827 0.971 2.930
373 HA ASP 50 HA ASP 50 -6.754 3.069 2.169
374 HB2 ASP 50 1HB ASP 50 -7.127 0.781 1.149
375 HB3 ASP 50 2HB ASP 50 -7.448 0.195 2.779
376 H TYR 51 H TYR 51 -7.526 4.220 3.803
377 HA TYR 51 HA TYR 51 -7.406 3.067 6.510
378 HB2 TYR 51 1HB TYR 51 -5.916 4.968 6.291
379 HB3 TYR 51 2HB TYR 51 -7.216 5.954 5.633
380 HD1 TYR 51 HD2 TYR 51 -7.336 3.650 8.549
381 HD2 TYR 51 HD1 TYR 51 -7.410 7.685 7.200
382 HE1 TYR 51 HE2 TYR 51 -7.915 4.393 10.821
383 HE2 TYR 51 HE1 TYR 51 -7.987 8.440 9.468
384 HH TYR 51 HH TYR 51 -7.598 7.426 11.899
385 H CYS 52 H CYS 52 -9.291 2.641 7.427
386 HA CYS 52 HA CYS 52 -11.706 3.930 6.365
387 HB2 CYS 52 1HB CYS 52 -11.174 1.310 7.712
388 HB3 CYS 52 2HB CYS 52 -12.782 2.018 7.815
389 H GLU 53 H GLU 53 -13.508 4.028 8.148
390 HA GLU 53 HA GLU 53 -12.338 5.483 10.421
391 HB2 GLU 53 1HB GLU 53 -13.953 6.591 8.706
392 HB3 GLU 53 2HB GLU 53 -15.207 5.718 9.574
393 HG2 GLU 53 1HG GLU 53 -13.272 7.428 11.069
394 HG3 GLU 53 2HG GLU 53 -14.642 8.157 10.232
395 H TYR 54 H TYR 54 -12.169 4.121 12.096
396 HA TYR 54 HA TYR 54 -14.571 2.593 12.856
397 HB2 TYR 54 1HB TYR 54 -13.163 0.812 13.700
398 HB3 TYR 54 2HB TYR 54 -12.761 1.117 12.014
399 HD1 TYR 54 HD1 TYR 54 -11.612 1.463 15.489
400 HD2 TYR 54 HD2 TYR 54 -10.603 1.980 11.388
401 HE1 TYR 54 HE1 TYR 54 -9.250 1.753 16.113
402 HE2 TYR 54 HE2 TYR 54 -8.238 2.271 12.000
403 HH TYR 54 HH TYR 54 -6.765 1.461 14.089
Start of MODEL 4
1 H1 ASP 2 H ASP 2 -17.599 4.732 2.689
2 HA ASP 2 HA ASP 2 -16.809 6.612 3.732
3 HB2 ASP 2 1HB ASP 2 -17.079 6.544 6.212
4 HB3 ASP 2 2HB ASP 2 -18.479 5.929 5.337
5 H CYS 3 H CYS 3 -14.736 4.888 2.814
6 HA CYS 3 HA CYS 3 -12.645 5.541 4.781
7 HB2 CYS 3 1HB CYS 3 -12.546 3.121 2.981
8 HB3 CYS 3 2HB CYS 3 -11.491 3.503 4.338
9 H LYS 4 H LYS 4 -10.404 5.397 3.648
10 HA LYS 4 HA LYS 4 -10.596 6.561 0.951
11 HB2 LYS 4 1HB LYS 4 -8.546 7.959 1.728
12 HB3 LYS 4 2HB LYS 4 -10.162 8.475 2.190
13 HG2 LYS 4 1HG LYS 4 -9.860 7.408 4.382
14 HG3 LYS 4 2HG LYS 4 -8.220 6.950 3.915
15 HD2 LYS 4 1HD LYS 4 -9.192 9.800 3.921
16 HD3 LYS 4 2HD LYS 4 -8.430 9.041 5.321
17 HE2 LYS 4 1HE LYS 4 -7.054 8.894 2.684
18 HE3 LYS 4 2HE LYS 4 -7.021 10.418 3.571
19 HZ1 LYS 4 3HZ LYS 4 -5.153 8.732 3.967
20 HZ2 LYS 4 1HZ LYS 4 -6.286 7.887 4.897
21 HZ3 LYS 4 2HZ LYS 4 -5.858 9.468 5.317
22 H ARG 5 H ARG 5 -8.644 6.372 -0.333
23 HA ARG 5 HA ARG 5 -6.657 4.451 0.590
24 HB2 ARG 5 1HB ARG 5 -6.921 3.124 -1.531
25 HB3 ARG 5 2HB ARG 5 -8.244 2.960 -0.383
26 HG2 ARG 5 1HG ARG 5 -9.355 3.185 -2.387
27 HG3 ARG 5 2HG ARG 5 -9.356 4.841 -1.776
28 HD2 ARG 5 1HD ARG 5 -8.129 5.570 -3.492
29 HD3 ARG 5 2HD ARG 5 -6.977 4.245 -3.326
30 HE ARG 5 HE ARG 5 -9.461 3.464 -4.539
31 HH11 ARG 5 1HH1 ARG 5 -6.303 4.817 -5.105
32 HH12 ARG 5 2HH1 ARG 5 -6.253 4.339 -6.770
33 HH21 ARG 5 1HH2 ARG 5 -9.407 2.831 -6.730
34 HH22 ARG 5 2HH2 ARG 5 -8.020 3.210 -7.693
35 H LYS 6 H LYS 6 -4.686 4.611 -0.448
36 HA LYS 6 HA LYS 6 -4.412 6.357 -2.753
37 HB2 LYS 6 1HB LYS 6 -4.273 7.986 -0.998
38 HB3 LYS 6 2HB LYS 6 -3.175 6.974 -0.069
39 HG2 LYS 6 1HG LYS 6 -1.389 7.373 -1.539
40 HG3 LYS 6 2HG LYS 6 -2.455 8.029 -2.784
41 HD2 LYS 6 1HD LYS 6 -2.165 9.326 -0.088
42 HD3 LYS 6 2HD LYS 6 -1.070 9.691 -1.422
43 HE2 LYS 6 1HE LYS 6 -4.059 9.888 -1.683
44 HE3 LYS 6 2HE LYS 6 -3.071 11.232 -1.112
45 HZ1 LYS 6 3HZ LYS 6 -2.225 9.958 -3.589
46 HZ2 LYS 6 1HZ LYS 6 -2.219 11.594 -3.154
47 HZ3 LYS 6 2HZ LYS 6 -3.656 10.858 -3.662
48 H VAL 7 H VAL 7 -2.486 6.062 -3.892
49 HA VAL 7 HA VAL 7 -1.075 3.590 -3.219
50 HB VAL 7 HB VAL 7 -1.953 3.713 -5.475
51 HG11 VAL 7 1HG1 VAL 7 -0.236 5.660 -6.655
52 HG12 VAL 7 2HG1 VAL 7 -2.000 5.610 -6.627
53 HG13 VAL 7 3HG1 VAL 7 -1.119 6.409 -5.325
54 HG21 VAL 7 3HG2 VAL 7 0.243 2.591 -5.012
55 HG22 VAL 7 1HG2 VAL 7 0.008 3.100 -6.685
56 HG23 VAL 7 2HG2 VAL 7 1.039 4.046 -5.611
57 H TYR 8 H TYR 8 1.081 3.476 -2.809
58 HA TYR 8 HA TYR 8 2.460 6.034 -2.407
59 HB2 TYR 8 1HB TYR 8 2.146 4.015 -0.653
60 HB3 TYR 8 2HB TYR 8 3.660 3.517 -1.397
61 HD1 TYR 8 HD2 TYR 8 4.933 6.140 -1.904
62 HD2 TYR 8 HD1 TYR 8 2.766 4.736 1.478
63 HE1 TYR 8 HE2 TYR 8 6.159 7.717 -0.470
64 HE2 TYR 8 HE1 TYR 8 3.987 6.310 2.921
65 HH TYR 8 HH TYR 8 5.504 7.924 3.016
66 H GLU 9 H GLU 9 2.795 6.091 -4.782
67 HA GLU 9 HA GLU 9 4.473 4.196 -6.064
68 HB2 GLU 9 1HB GLU 9 4.543 5.731 -7.902
69 HB3 GLU 9 2HB GLU 9 2.918 5.769 -7.234
70 HG2 GLU 9 1HG GLU 9 3.574 7.817 -5.964
71 HG3 GLU 9 2HG GLU 9 5.092 7.811 -6.860
72 H ASN 10 H ASN 10 5.120 6.587 -3.784
73 HA ASN 10 HA ASN 10 7.796 7.205 -4.680
74 HB2 ASN 10 1HB ASN 10 5.951 8.206 -2.670
75 HB3 ASN 10 2HB ASN 10 7.576 8.012 -2.020
76 HD21 ASN 10 2HD2 ASN 10 5.945 10.405 -2.689
77 HD22 ASN 10 1HD2 ASN 10 6.948 11.351 -3.731
78 H TYR 11 H TYR 11 6.275 4.804 -2.775
79 HA TYR 11 HA TYR 11 8.648 4.122 -1.263
80 HB2 TYR 11 1HB TYR 11 5.826 3.443 -1.185
81 HB3 TYR 11 2HB TYR 11 6.837 2.009 -1.043
82 HD1 TYR 11 HD2 TYR 11 7.444 5.464 0.214
83 HD2 TYR 11 HD1 TYR 11 6.692 1.393 1.199
84 HE1 TYR 11 HE2 TYR 11 7.825 5.973 2.589
85 HE2 TYR 11 HE1 TYR 11 7.070 1.893 3.577
86 HH TYR 11 HH TYR 11 7.544 3.452 5.079
87 HA PRO 12 HA PRO 12 10.405 1.191 -4.014
88 HB2 PRO 12 1HB PRO 12 11.332 -0.694 -2.293
89 HB3 PRO 12 2HB PRO 12 12.075 0.901 -2.463
90 HG2 PRO 12 1HG PRO 12 10.155 -0.082 -0.388
91 HG3 PRO 12 2HG PRO 12 11.610 0.911 -0.185
92 HD2 PRO 12 1HD PRO 12 9.117 1.967 -0.202
93 HD3 PRO 12 2HD PRO 12 10.530 2.846 -0.819
94 H VAL 13 H VAL 13 9.471 -0.251 -5.311
95 HA VAL 13 HA VAL 13 7.121 -1.665 -4.586
96 HB VAL 13 HB VAL 13 8.895 -2.179 -6.975
97 HG11 VAL 13 1HG1 VAL 13 6.702 -2.892 -7.987
98 HG12 VAL 13 2HG1 VAL 13 7.332 -3.949 -6.723
99 HG13 VAL 13 3HG1 VAL 13 6.020 -2.827 -6.363
100 HG21 VAL 13 3HG2 VAL 13 7.079 -0.679 -8.075
101 HG22 VAL 13 1HG2 VAL 13 6.839 -0.076 -6.435
102 HG23 VAL 13 2HG2 VAL 13 8.418 0.073 -7.208
103 H SER 14 H SER 14 10.447 -2.357 -4.240
104 HA SER 14 HA SER 14 10.532 -5.130 -4.447
105 HB2 SER 14 1HB SER 14 12.480 -3.529 -4.086
106 HB3 SER 14 2HB SER 14 12.059 -3.550 -2.374
107 HG SER 14 HG SER 14 13.269 -5.266 -2.330
108 H LYS 15 H LYS 15 9.231 -3.093 -1.942
109 HA LYS 15 HA LYS 15 9.040 -5.150 0.042
110 HB2 LYS 15 1HB LYS 15 7.508 -2.550 -0.101
111 HB3 LYS 15 2HB LYS 15 7.767 -3.545 1.326
112 HG2 LYS 15 1HG LYS 15 9.880 -2.044 -0.208
113 HG3 LYS 15 2HG LYS 15 9.210 -1.603 1.364
114 HD2 LYS 15 1HD LYS 15 10.001 -4.093 1.928
115 HD3 LYS 15 2HD LYS 15 11.159 -3.718 0.649
116 HE2 LYS 15 1HE LYS 15 10.673 -2.053 3.119
117 HE3 LYS 15 2HE LYS 15 12.021 -3.165 2.886
118 HZ1 LYS 15 3HZ LYS 15 12.530 -1.773 0.836
119 HZ2 LYS 15 1HZ LYS 15 12.870 -1.081 2.343
120 HZ3 LYS 15 2HZ LYS 15 11.484 -0.615 1.493
121 H CYS 16 H CYS 16 7.145 -4.156 -2.655
122 HA CYS 16 HA CYS 16 4.581 -4.901 -1.956
123 HB2 CYS 16 1HB CYS 16 5.124 -3.838 -4.093
124 HB3 CYS 16 2HB CYS 16 5.961 -5.295 -4.620
125 H GLN 17 H GLN 17 7.318 -6.921 -2.792
126 HA GLN 17 HA GLN 17 6.044 -9.338 -3.285
127 HB2 GLN 17 1HB GLN 17 8.668 -8.954 -1.833
128 HB3 GLN 17 2HB GLN 17 8.140 -10.411 -2.666
129 HG2 GLN 17 1HG GLN 17 8.033 -8.978 -4.764
130 HG3 GLN 17 2HG GLN 17 8.933 -7.772 -3.846
131 HE21 GLN 17 2HE2 GLN 17 10.552 -8.068 -5.507
132 HE22 GLN 17 1HE2 GLN 17 11.676 -9.373 -5.373
133 H LEU 18 H LEU 18 6.503 -7.633 -0.305
134 HA LEU 18 HA LEU 18 5.560 -9.954 1.228
135 HB2 LEU 18 1HB LEU 18 6.732 -7.356 2.211
136 HB3 LEU 18 2HB LEU 18 6.296 -8.740 3.209
137 HG LEU 18 HG LEU 18 8.380 -8.942 1.055
138 HD11 LEU 18 1HD1 LEU 18 8.647 -7.898 3.851
139 HD12 LEU 18 2HD1 LEU 18 9.295 -7.237 2.351
140 HD13 LEU 18 3HD1 LEU 18 9.989 -8.704 3.040
141 HD21 LEU 18 3HD2 LEU 18 8.745 -10.521 3.435
142 HD22 LEU 18 1HD2 LEU 18 8.585 -11.038 1.757
143 HD23 LEU 18 2HD2 LEU 18 7.144 -10.792 2.744
144 H ALA 19 H ALA 19 3.636 -9.946 2.265
145 HA ALA 19 HA ALA 19 1.814 -7.757 1.655
146 HB1 ALA 19 3HB ALA 19 0.692 -9.689 1.198
147 HB2 ALA 19 1HB ALA 19 1.506 -10.595 2.474
148 HB3 ALA 19 2HB ALA 19 0.211 -9.468 2.881
149 H ASN 20 H ASN 20 3.450 -9.206 4.375
150 HA ASN 20 HA ASN 20 1.894 -7.810 6.355
151 HB2 ASN 20 1HB ASN 20 3.450 -8.765 7.969
152 HB3 ASN 20 2HB ASN 20 2.934 -10.005 6.829
153 HD21 ASN 20 2HD2 ASN 20 4.454 -11.194 5.932
154 HD22 ASN 20 1HD2 ASN 20 6.135 -10.799 5.852
155 H GLN 21 H GLN 21 4.646 -7.138 4.419
156 HA GLN 21 HA GLN 21 5.766 -5.132 6.152
157 HB2 GLN 21 1HB GLN 21 7.175 -6.393 4.580
158 HB3 GLN 21 2HB GLN 21 6.288 -5.703 3.229
159 HG2 GLN 21 1HG GLN 21 8.267 -4.466 3.372
160 HG3 GLN 21 2HG GLN 21 7.022 -3.437 4.080
161 HE21 GLN 21 2HE2 GLN 21 9.620 -5.681 4.860
162 HE22 GLN 21 1HE2 GLN 21 9.993 -4.999 6.404
163 H CYS 22 H CYS 22 3.736 -5.176 3.257
164 HA CYS 22 HA CYS 22 3.662 -2.410 2.796
165 HB2 CYS 22 1HB CYS 22 2.282 -4.764 1.835
166 HB3 CYS 22 2HB CYS 22 1.159 -3.423 2.033
167 H ASN 23 H ASN 23 1.111 -4.407 4.296
168 HA ASN 23 HA ASN 23 -0.448 -2.306 5.233
169 HB2 ASN 23 1HB ASN 23 -1.679 -3.897 6.378
170 HB3 ASN 23 2HB ASN 23 -0.868 -4.900 5.179
171 HD21 ASN 23 2HD2 ASN 23 -1.789 -4.944 8.218
172 HD22 ASN 23 1HD2 ASN 23 -0.522 -5.867 8.945
173 H TYR 24 H TYR 24 2.475 -3.676 6.516
174 HA TYR 24 HA TYR 24 2.252 -2.671 9.158
175 HB2 TYR 24 1HB TYR 24 3.803 -4.437 8.785
176 HB3 TYR 24 2HB TYR 24 4.611 -3.553 7.496
177 HD1 TYR 24 HD1 TYR 24 4.228 -3.898 11.124
178 HD2 TYR 24 HD2 TYR 24 6.219 -1.810 7.997
179 HE1 TYR 24 HE1 TYR 24 5.850 -3.020 12.752
180 HE2 TYR 24 HE2 TYR 24 7.847 -0.927 9.615
181 HH TYR 24 HH TYR 24 8.075 -0.520 11.962
182 H ASP 25 H ASP 25 3.949 -1.469 6.273
183 HA ASP 25 HA ASP 25 4.835 0.928 7.551
184 HB2 ASP 25 1HB ASP 25 5.871 1.449 5.545
185 HB3 ASP 25 2HB ASP 25 5.784 -0.307 5.445
186 H CYS 26 H CYS 26 1.994 -0.028 5.794
187 HA CYS 26 HA CYS 26 1.078 2.638 5.257
188 HB2 CYS 26 1HB CYS 26 -0.211 -0.082 5.086
189 HB3 CYS 26 2HB CYS 26 -1.115 1.397 4.777
190 H LYS 27 H LYS 27 0.043 0.076 7.508
191 HA LYS 27 HA LYS 27 -1.827 1.714 8.876
192 HB2 LYS 27 1HB LYS 27 -0.458 -0.827 9.780
193 HB3 LYS 27 2HB LYS 27 -1.857 -0.096 10.554
194 HG2 LYS 27 1HG LYS 27 -3.287 -0.722 8.877
195 HG3 LYS 27 2HG LYS 27 -2.008 -0.790 7.663
196 HD2 LYS 27 1HD LYS 27 -2.491 -3.031 8.025
197 HD3 LYS 27 2HD LYS 27 -1.100 -2.759 9.077
198 HE2 LYS 27 1HE LYS 27 -2.927 -2.206 10.860
199 HE3 LYS 27 2HE LYS 27 -3.980 -3.127 9.787
200 HZ1 LYS 27 3HZ LYS 27 -2.782 -5.056 10.129
201 HZ2 LYS 27 1HZ LYS 27 -2.753 -4.347 11.665
202 HZ3 LYS 27 2HZ LYS 27 -1.396 -4.244 10.660
203 H LEU 28 H LEU 28 1.542 1.630 8.916
204 HA LEU 28 HA LEU 28 1.911 2.395 11.666
205 HB2 LEU 28 1HB LEU 28 3.699 1.222 10.661
206 HB3 LEU 28 2HB LEU 28 3.721 2.303 9.269
207 HG LEU 28 HG LEU 28 4.547 4.113 10.759
208 HD11 LEU 28 1HD1 LEU 28 5.128 3.767 12.973
209 HD12 LEU 28 2HD1 LEU 28 5.137 2.011 12.804
210 HD13 LEU 28 3HD1 LEU 28 3.606 2.887 12.832
211 HD21 LEU 28 3HD2 LEU 28 6.823 2.964 11.162
212 HD22 LEU 28 1HD2 LEU 28 6.226 3.110 9.509
213 HD23 LEU 28 2HD2 LEU 28 6.085 1.575 10.364
214 H ASP 29 H ASP 29 2.572 4.099 8.599
215 HA ASP 29 HA ASP 29 2.352 6.649 10.004
216 HB2 ASP 29 1HB ASP 29 3.537 5.749 7.424
217 HB3 ASP 29 2HB ASP 29 2.970 7.413 7.523
218 H LYS 30 H LYS 30 1.007 5.072 7.110
219 HA LYS 30 HA LYS 30 -0.937 7.097 6.642
220 HB2 LYS 30 1HB LYS 30 -0.180 4.528 5.465
221 HB3 LYS 30 2HB LYS 30 -1.912 4.827 5.409
222 HG2 LYS 30 1HG LYS 30 -0.091 7.008 4.548
223 HG3 LYS 30 2HG LYS 30 -0.301 5.618 3.480
224 HD2 LYS 30 1HD LYS 30 -2.055 6.815 2.714
225 HD3 LYS 30 2HD LYS 30 -2.872 6.122 4.117
226 HE2 LYS 30 1HE LYS 30 -1.351 8.603 4.598
227 HE3 LYS 30 2HE LYS 30 -2.782 8.762 3.580
228 HZ1 LYS 30 3HZ LYS 30 -3.763 7.292 5.556
229 HZ2 LYS 30 1HZ LYS 30 -3.785 8.984 5.568
230 HZ3 LYS 30 2HZ LYS 30 -2.582 8.147 6.413
231 H HIS 31 H HIS 31 -0.722 4.706 8.976
232 HA HIS 31 HA HIS 31 -2.179 3.779 10.461
233 HB2 HIS 31 1HB HIS 31 -2.523 6.389 10.631
234 HB3 HIS 31 2HB HIS 31 -4.110 6.010 9.967
235 HD1 HIS 31 HD1 HIS 31 -4.863 6.980 12.391
236 HD2 HIS 31 HD2 HIS 31 -2.986 3.274 12.356
237 HE1 HIS 31 HE1 HIS 31 -5.414 5.927 14.607
238 H ALA 32 H ALA 32 -2.524 3.200 7.556
239 HA ALA 32 HA ALA 32 -5.236 2.974 6.882
240 HB1 ALA 32 3HB ALA 32 -3.300 2.722 5.320
241 HB2 ALA 32 1HB ALA 32 -3.041 1.112 5.995
242 HB3 ALA 32 2HB ALA 32 -4.545 1.485 5.151
243 H ARG 33 H ARG 33 -5.655 0.312 6.230
244 HA ARG 33 HA ARG 33 -5.651 -1.080 8.819
245 HB2 ARG 33 1HB ARG 33 -8.030 -0.916 6.961
246 HB3 ARG 33 2HB ARG 33 -7.961 -1.769 8.497
247 HG2 ARG 33 1HG ARG 33 -7.297 0.679 9.340
248 HG3 ARG 33 2HG ARG 33 -8.278 1.111 7.938
249 HD2 ARG 33 1HD ARG 33 -10.143 -0.147 8.792
250 HD3 ARG 33 2HD ARG 33 -9.165 -0.767 10.121
251 HE ARG 33 HE ARG 33 -10.493 1.755 10.001
252 HH11 ARG 33 1HH1 ARG 33 -7.707 0.110 11.287
253 HH12 ARG 33 2HH1 ARG 33 -7.530 1.187 12.632
254 HH21 ARG 33 1HH2 ARG 33 -10.269 3.181 11.767
255 HH22 ARG 33 2HH2 ARG 33 -8.988 2.933 12.905
256 H SER 34 H SER 34 -6.150 -1.338 5.320
257 HA SER 34 HA SER 34 -5.100 -4.089 5.463
258 HB2 SER 34 1HB SER 34 -7.608 -3.703 4.807
259 HB3 SER 34 2HB SER 34 -6.933 -3.223 3.251
260 HG SER 34 HG SER 34 -7.235 -5.372 3.065
261 H GLY 35 H GLY 35 -3.487 -1.795 5.173
262 HA2 GLY 35 1HA GLY 35 -2.859 -0.948 2.632
263 HA3 GLY 35 2HA GLY 35 -1.673 -1.153 3.913
264 H GLU 36 H GLU 36 -2.509 -2.077 0.843
265 HA GLU 36 HA GLU 36 -0.536 -4.213 0.881
266 HB2 GLU 36 1HB GLU 36 -2.866 -5.203 1.250
267 HB3 GLU 36 2HB GLU 36 -3.214 -4.717 -0.404
268 HG2 GLU 36 1HG GLU 36 -2.530 -7.088 -0.155
269 HG3 GLU 36 2HG GLU 36 -1.527 -6.157 -1.266
270 H CYS 37 H CYS 37 0.038 -4.918 -1.349
271 HA CYS 37 HA CYS 37 -0.094 -2.614 -3.166
272 HB2 CYS 37 1HB CYS 37 1.957 -3.361 -4.122
273 HB3 CYS 37 2HB CYS 37 2.150 -3.474 -2.375
274 H PHE 38 H PHE 38 -0.471 -2.921 -5.398
275 HA PHE 38 HA PHE 38 -1.204 -5.485 -6.444
276 HB2 PHE 38 1HB PHE 38 -3.287 -3.618 -5.462
277 HB3 PHE 38 2HB PHE 38 -3.576 -4.349 -7.038
278 HD1 PHE 38 HD1 PHE 38 -2.979 -6.991 -7.036
279 HD2 PHE 38 HD2 PHE 38 -4.215 -4.693 -3.674
280 HE1 PHE 38 HE1 PHE 38 -3.787 -9.039 -5.938
281 HE2 PHE 38 HE2 PHE 38 -5.025 -6.737 -2.570
282 HZ PHE 38 HZ PHE 38 -4.810 -8.914 -3.702
283 H TYR 39 H TYR 39 -1.733 -5.407 -8.717
284 HA TYR 39 HA TYR 39 -0.160 -3.582 -10.154
285 HB2 TYR 39 1HB TYR 39 -1.296 -4.548 -12.169
286 HB3 TYR 39 2HB TYR 39 -0.605 -5.750 -11.085
287 HD1 TYR 39 HD2 TYR 39 -3.763 -4.186 -12.197
288 HD2 TYR 39 HD1 TYR 39 -1.976 -7.371 -10.014
289 HE1 TYR 39 HE2 TYR 39 -5.944 -5.315 -12.073
290 HE2 TYR 39 HE1 TYR 39 -4.153 -8.511 -9.886
291 HH TYR 39 HH TYR 39 -6.281 -8.493 -10.526
292 H ASP 40 H ASP 40 -0.603 -1.727 -11.236
293 HA ASP 40 HA ASP 40 -3.159 -0.451 -10.638
294 HB2 ASP 40 1HB ASP 40 -0.600 0.506 -10.568
295 HB3 ASP 40 2HB ASP 40 -1.148 1.087 -12.138
296 H GLU 41 H GLU 41 -3.714 1.225 -12.556
297 HA GLU 41 HA GLU 41 -4.789 -0.348 -14.623
298 HB2 GLU 41 1HB GLU 41 -5.526 1.728 -15.614
299 HB3 GLU 41 2HB GLU 41 -5.733 1.817 -13.870
300 HG2 GLU 41 1HG GLU 41 -3.463 2.996 -13.848
301 HG3 GLU 41 2HG GLU 41 -3.696 3.184 -15.585
302 H LYS 42 H LYS 42 -1.725 1.178 -14.256
303 HA LYS 42 HA LYS 42 -1.116 0.868 -17.109
304 HB2 LYS 42 1HB LYS 42 0.393 2.260 -14.890
305 HB3 LYS 42 2HB LYS 42 0.966 2.128 -16.547
306 HG2 LYS 42 1HG LYS 42 -1.725 3.296 -16.065
307 HG3 LYS 42 2HG LYS 42 -0.297 4.268 -15.702
308 HD2 LYS 42 1HD LYS 42 -0.471 2.859 -18.327
309 HD3 LYS 42 2HD LYS 42 -1.399 4.339 -18.083
310 HE2 LYS 42 1HE LYS 42 0.545 5.227 -18.890
311 HE3 LYS 42 2HE LYS 42 0.911 5.224 -17.165
312 HZ1 LYS 42 3HZ LYS 42 1.603 2.788 -18.566
313 HZ2 LYS 42 1HZ LYS 42 2.483 3.668 -17.421
314 HZ3 LYS 42 2HZ LYS 42 2.487 4.150 -19.041
315 H ARG 43 H ARG 43 -1.372 -1.359 -15.152
316 HA ARG 43 HA ARG 43 -0.337 -3.313 -14.618
317 HB2 ARG 43 1HB ARG 43 1.082 -2.437 -17.102
318 HB3 ARG 43 2HB ARG 43 1.679 -3.841 -16.226
319 HG2 ARG 43 1HG ARG 43 -1.188 -3.596 -17.074
320 HG3 ARG 43 2HG ARG 43 0.058 -4.256 -18.136
321 HD2 ARG 43 1HD ARG 43 0.614 -5.795 -16.136
322 HD3 ARG 43 2HD ARG 43 -0.981 -5.334 -15.540
323 HE ARG 43 HE ARG 43 -1.913 -6.701 -17.113
324 HH11 ARG 43 1HH1 ARG 43 1.380 -6.028 -18.020
325 HH12 ARG 43 2HH1 ARG 43 1.379 -7.139 -19.350
326 HH21 ARG 43 1HH2 ARG 43 -1.926 -8.168 -18.860
327 HH22 ARG 43 2HH2 ARG 43 -0.503 -8.355 -19.826
328 H ASN 44 H ASN 44 0.589 -0.768 -13.396
329 HA ASN 44 HA ASN 44 3.380 -1.437 -12.780
330 HB2 ASN 44 1HB ASN 44 1.794 1.074 -12.197
331 HB3 ASN 44 2HB ASN 44 3.486 0.825 -11.779
332 HD21 ASN 44 2HD2 ASN 44 2.705 2.944 -13.323
333 HD22 ASN 44 1HD2 ASN 44 3.285 2.731 -14.937
334 H LEU 45 H LEU 45 3.851 -2.434 -10.942
335 HA LEU 45 HA LEU 45 1.801 -2.909 -8.972
336 HB2 LEU 45 1HB LEU 45 4.681 -3.670 -8.666
337 HB3 LEU 45 2HB LEU 45 3.250 -4.475 -8.025
338 HG LEU 45 HG LEU 45 4.052 -4.429 -10.934
339 HD11 LEU 45 1HD1 LEU 45 4.120 -6.852 -9.194
340 HD12 LEU 45 2HD1 LEU 45 5.482 -5.731 -9.188
341 HD13 LEU 45 3HD1 LEU 45 4.992 -6.515 -10.689
342 HD21 LEU 45 3HD2 LEU 45 1.663 -4.642 -10.660
343 HD22 LEU 45 1HD2 LEU 45 1.881 -5.912 -9.456
344 HD23 LEU 45 2HD2 LEU 45 2.341 -6.200 -11.133
345 H GLN 46 H GLN 46 1.421 -1.685 -7.255
346 HA GLN 46 HA GLN 46 3.629 -0.248 -5.986
347 HB2 GLN 46 1HB GLN 46 1.017 1.134 -6.586
348 HB3 GLN 46 2HB GLN 46 2.491 1.848 -5.947
349 HG2 GLN 46 1HG GLN 46 3.611 1.573 -8.041
350 HG3 GLN 46 2HG GLN 46 2.259 0.649 -8.694
351 HE21 GLN 46 2HE2 GLN 46 1.255 1.803 -10.168
352 HE22 GLN 46 1HE2 GLN 46 0.860 3.480 -10.055
353 H CYS 47 H CYS 47 3.077 0.550 -3.822
354 HA CYS 47 HA CYS 47 1.290 -1.332 -2.485
355 HB2 CYS 47 1HB CYS 47 3.675 -0.948 -1.723
356 HB3 CYS 47 2HB CYS 47 3.167 0.654 -1.200
357 H ILE 48 H ILE 48 -0.754 -0.706 -2.277
358 HA ILE 48 HA ILE 48 -1.353 2.137 -1.880
359 HB ILE 48 HB ILE 48 -3.268 -0.113 -2.504
360 HG12 ILE 48 1HG1 ILE 48 -3.219 1.463 -4.724
361 HG13 ILE 48 2HG1 ILE 48 -1.540 1.570 -4.206
362 HG21 ILE 48 1HG2 ILE 48 -4.886 1.596 -2.940
363 HG22 ILE 48 2HG2 ILE 48 -4.207 1.880 -1.338
364 HG23 ILE 48 3HG2 ILE 48 -3.683 2.864 -2.705
365 HD11 ILE 48 3HD1 ILE 48 -2.230 -1.139 -4.042
366 HD12 ILE 48 1HD1 ILE 48 -2.889 -0.550 -5.568
367 HD13 ILE 48 2HD1 ILE 48 -1.170 -0.359 -5.216
368 H CYS 49 H CYS 49 -2.378 2.901 -0.090
369 HA CYS 49 HA CYS 49 -2.825 0.967 2.088
370 HB2 CYS 49 1HB CYS 49 -2.259 3.910 2.438
371 HB3 CYS 49 2HB CYS 49 -2.200 2.644 3.660
372 H ASP 50 H ASP 50 -4.820 0.772 2.867
373 HA ASP 50 HA ASP 50 -6.820 2.779 2.072
374 HB2 ASP 50 1HB ASP 50 -6.853 0.071 1.639
375 HB3 ASP 50 2HB ASP 50 -7.816 0.218 3.107
376 H TYR 51 H TYR 51 -7.250 4.167 3.651
377 HA TYR 51 HA TYR 51 -7.165 3.233 6.433
378 HB2 TYR 51 1HB TYR 51 -5.742 5.144 5.999
379 HB3 TYR 51 2HB TYR 51 -7.082 6.024 5.274
380 HD1 TYR 51 HD2 TYR 51 -6.898 4.058 8.441
381 HD2 TYR 51 HD1 TYR 51 -7.482 7.863 6.629
382 HE1 TYR 51 HE2 TYR 51 -7.453 5.014 10.639
383 HE2 TYR 51 HE1 TYR 51 -8.038 8.830 8.821
384 HH TYR 51 HH TYR 51 -7.351 8.043 11.406
385 H CYS 52 H CYS 52 -9.006 2.858 7.457
386 HA CYS 52 HA CYS 52 -11.492 3.956 6.348
387 HB2 CYS 52 1HB CYS 52 -10.789 1.473 7.820
388 HB3 CYS 52 2HB CYS 52 -12.377 2.164 8.138
389 H GLU 53 H GLU 53 -12.761 5.315 7.478
390 HA GLU 53 HA GLU 53 -12.087 5.816 10.298
391 HB2 GLU 53 1HB GLU 53 -12.473 8.224 9.922
392 HB3 GLU 53 2HB GLU 53 -11.112 7.613 8.994
393 HG2 GLU 53 1HG GLU 53 -12.100 8.810 7.361
394 HG3 GLU 53 2HG GLU 53 -13.013 7.316 7.158
395 H TYR 54 H TYR 54 -13.776 5.667 11.614
396 HA TYR 54 HA TYR 54 -16.453 5.518 10.454
397 HB2 TYR 54 1HB TYR 54 -15.601 4.924 13.293
398 HB3 TYR 54 2HB TYR 54 -17.131 4.496 12.534
399 HD1 TYR 54 HD2 TYR 54 -17.235 2.679 10.887
400 HD2 TYR 54 HD1 TYR 54 -13.609 3.629 12.900
401 HE1 TYR 54 HE2 TYR 54 -16.292 0.515 10.197
402 HE2 TYR 54 HE1 TYR 54 -12.655 1.468 12.214
403 HH TYR 54 HH TYR 54 -12.933 -0.332 10.895
Start of MODEL 5
1 H1 ASP 2 H ASP 2 -17.172 6.489 6.308
2 HA ASP 2 HA ASP 2 -17.461 4.897 3.934
3 HB2 ASP 2 1HB ASP 2 -16.846 6.593 2.320
4 HB3 ASP 2 2HB ASP 2 -18.298 7.111 3.171
5 H CYS 3 H CYS 3 -15.348 4.770 2.723
6 HA CYS 3 HA CYS 3 -13.089 5.134 4.581
7 HB2 CYS 3 1HB CYS 3 -13.266 2.913 2.552
8 HB3 CYS 3 2HB CYS 3 -12.172 3.050 3.924
9 H LYS 4 H LYS 4 -10.931 4.923 3.323
10 HA LYS 4 HA LYS 4 -11.083 6.107 0.657
11 HB2 LYS 4 1HB LYS 4 -9.275 7.769 1.410
12 HB3 LYS 4 2HB LYS 4 -10.937 8.103 1.875
13 HG2 LYS 4 1HG LYS 4 -10.539 7.317 4.101
14 HG3 LYS 4 2HG LYS 4 -8.925 6.755 3.660
15 HD2 LYS 4 1HD LYS 4 -8.569 8.799 4.757
16 HD3 LYS 4 2HD LYS 4 -8.437 9.182 3.040
17 HE2 LYS 4 1HE LYS 4 -11.037 9.637 3.338
18 HE3 LYS 4 2HE LYS 4 -10.537 9.924 5.005
19 HZ1 LYS 4 3HZ LYS 4 -9.121 11.657 4.343
20 HZ2 LYS 4 1HZ LYS 4 -10.553 11.910 3.477
21 HZ3 LYS 4 2HZ LYS 4 -9.207 11.234 2.707
22 H ARG 5 H ARG 5 -9.012 6.080 -0.476
23 HA ARG 5 HA ARG 5 -6.944 4.377 0.665
24 HB2 ARG 5 1HB ARG 5 -6.922 2.936 -1.372
25 HB3 ARG 5 2HB ARG 5 -8.359 2.741 -0.378
26 HG2 ARG 5 1HG ARG 5 -9.375 2.867 -2.389
27 HG3 ARG 5 2HG ARG 5 -9.270 4.597 -2.060
28 HD2 ARG 5 1HD ARG 5 -8.387 4.559 -4.163
29 HD3 ARG 5 2HD ARG 5 -6.916 4.309 -3.224
30 HE ARG 5 HE ARG 5 -6.735 2.245 -4.170
31 HH11 ARG 5 1HH1 ARG 5 -10.039 3.307 -4.449
32 HH12 ARG 5 2HH1 ARG 5 -10.532 1.947 -5.404
33 HH21 ARG 5 1HH2 ARG 5 -7.372 0.451 -5.426
34 HH22 ARG 5 2HH2 ARG 5 -9.014 0.323 -5.958
35 H LYS 6 H LYS 6 -4.989 4.306 -0.705
36 HA LYS 6 HA LYS 6 -4.701 6.149 -2.868
37 HB2 LYS 6 1HB LYS 6 -4.757 7.678 -0.882
38 HB3 LYS 6 2HB LYS 6 -3.312 6.874 -0.285
39 HG2 LYS 6 1HG LYS 6 -1.958 7.840 -1.841
40 HG3 LYS 6 2HG LYS 6 -3.248 7.978 -3.039
41 HD2 LYS 6 1HD LYS 6 -3.428 9.583 -0.531
42 HD3 LYS 6 2HD LYS 6 -2.314 10.103 -1.799
43 HE2 LYS 6 1HE LYS 6 -4.416 9.730 -3.337
44 HE3 LYS 6 2HE LYS 6 -5.292 9.946 -1.821
45 HZ1 LYS 6 3HZ LYS 6 -3.325 11.947 -2.059
46 HZ2 LYS 6 1HZ LYS 6 -5.006 12.120 -1.980
47 HZ3 LYS 6 2HZ LYS 6 -4.247 11.917 -3.478
48 H VAL 7 H VAL 7 -2.658 6.013 -3.882
49 HA VAL 7 HA VAL 7 -1.093 3.672 -3.031
50 HB VAL 7 HB VAL 7 -2.053 3.454 -5.258
51 HG11 VAL 7 1HG1 VAL 7 -1.541 6.176 -5.470
52 HG12 VAL 7 2HG1 VAL 7 -0.432 5.426 -6.619
53 HG13 VAL 7 3HG1 VAL 7 -2.165 5.117 -6.735
54 HG21 VAL 7 3HG2 VAL 7 0.932 3.871 -5.242
55 HG22 VAL 7 1HG2 VAL 7 0.062 2.376 -4.907
56 HG23 VAL 7 2HG2 VAL 7 0.048 3.058 -6.532
57 H TYR 8 H TYR 8 1.086 3.796 -2.731
58 HA TYR 8 HA TYR 8 2.322 6.455 -3.032
59 HB2 TYR 8 1HB TYR 8 1.800 5.251 -0.635
60 HB3 TYR 8 2HB TYR 8 3.447 4.715 -0.943
61 HD1 TYR 8 HD1 TYR 8 1.622 7.933 -1.504
62 HD2 TYR 8 HD2 TYR 8 4.963 5.970 0.252
63 HE1 TYR 8 HE1 TYR 8 2.470 10.100 -0.709
64 HE2 TYR 8 HE2 TYR 8 5.820 8.132 1.054
65 HH TYR 8 HH TYR 8 5.196 10.322 1.461
66 H GLU 9 H GLU 9 3.312 5.979 -4.984
67 HA GLU 9 HA GLU 9 4.738 3.624 -5.550
68 HB2 GLU 9 1HB GLU 9 5.709 4.869 -7.417
69 HB3 GLU 9 2HB GLU 9 3.981 5.167 -7.295
70 HG2 GLU 9 1HG GLU 9 5.819 7.055 -5.933
71 HG3 GLU 9 2HG GLU 9 5.713 7.114 -7.692
72 H ASN 10 H ASN 10 5.524 6.347 -3.627
73 HA ASN 10 HA ASN 10 8.310 6.409 -3.825
74 HB2 ASN 10 1HB ASN 10 7.338 8.200 -2.662
75 HB3 ASN 10 2HB ASN 10 6.389 7.135 -1.628
76 HD21 ASN 10 2HD2 ASN 10 9.461 8.621 -2.166
77 HD22 ASN 10 1HD2 ASN 10 10.171 8.193 -0.649
78 H TYR 11 H TYR 11 6.222 4.086 -2.397
79 HA TYR 11 HA TYR 11 8.081 2.987 -0.533
80 HB2 TYR 11 1HB TYR 11 5.425 2.188 -1.630
81 HB3 TYR 11 2HB TYR 11 6.408 0.947 -0.861
82 HD1 TYR 11 HD1 TYR 11 7.619 2.171 1.399
83 HD2 TYR 11 HD2 TYR 11 3.745 2.877 -0.213
84 HE1 TYR 11 HE1 TYR 11 6.843 2.923 3.609
85 HE2 TYR 11 HE2 TYR 11 2.958 3.631 1.993
86 HH TYR 11 HH TYR 11 4.595 4.680 4.270
87 HA PRO 12 HA PRO 12 10.543 0.359 -3.039
88 HB2 PRO 12 1HB PRO 12 10.778 -1.862 -1.494
89 HB3 PRO 12 2HB PRO 12 11.587 -0.337 -1.113
90 HG2 PRO 12 1HG PRO 12 9.051 -1.468 0.007
91 HG3 PRO 12 2HG PRO 12 10.385 -0.661 0.852
92 HD2 PRO 12 1HD PRO 12 8.078 0.609 0.225
93 HD3 PRO 12 2HD PRO 12 9.644 1.444 0.275
94 H VAL 13 H VAL 13 9.889 -0.588 -4.857
95 HA VAL 13 HA VAL 13 7.445 -2.006 -5.106
96 HB VAL 13 HB VAL 13 9.765 -2.045 -7.038
97 HG11 VAL 13 1HG1 VAL 13 6.806 -2.454 -7.464
98 HG12 VAL 13 2HG1 VAL 13 8.050 -2.479 -8.716
99 HG13 VAL 13 3HG1 VAL 13 8.032 -3.721 -7.463
100 HG21 VAL 13 3HG2 VAL 13 9.442 0.194 -7.034
101 HG22 VAL 13 1HG2 VAL 13 8.078 -0.223 -8.071
102 HG23 VAL 13 2HG2 VAL 13 7.821 0.068 -6.351
103 H SER 14 H SER 14 10.806 -3.002 -4.752
104 HA SER 14 HA SER 14 10.464 -5.735 -5.312
105 HB2 SER 14 1HB SER 14 12.498 -4.241 -3.658
106 HB3 SER 14 2HB SER 14 12.574 -5.987 -3.892
107 HG SER 14 HG SER 14 13.812 -5.018 -5.474
108 H LYS 15 H LYS 15 10.486 -3.996 -2.209
109 HA LYS 15 HA LYS 15 9.842 -6.320 -0.678
110 HB2 LYS 15 1HB LYS 15 10.325 -3.470 -0.170
111 HB3 LYS 15 2HB LYS 15 9.134 -4.190 0.906
112 HG2 LYS 15 1HG LYS 15 11.401 -4.265 1.832
113 HG3 LYS 15 2HG LYS 15 10.719 -5.876 1.598
114 HD2 LYS 15 1HD LYS 15 12.027 -6.227 -0.366
115 HD3 LYS 15 2HD LYS 15 12.544 -4.539 -0.393
116 HE2 LYS 15 1HE LYS 15 13.707 -4.905 1.761
117 HE3 LYS 15 2HE LYS 15 13.251 -6.607 1.688
118 HZ1 LYS 15 3HZ LYS 15 15.520 -5.514 0.656
119 HZ2 LYS 15 1HZ LYS 15 14.536 -5.711 -0.706
120 HZ3 LYS 15 2HZ LYS 15 14.896 -7.040 0.277
121 H CYS 16 H CYS 16 8.024 -4.208 -2.610
122 HA CYS 16 HA CYS 16 5.580 -4.044 -1.304
123 HB2 CYS 16 1HB CYS 16 6.547 -3.322 -3.786
124 HB3 CYS 16 2HB CYS 16 5.327 -4.528 -4.179
125 H GLN 17 H GLN 17 7.017 -6.705 -3.069
126 HA GLN 17 HA GLN 17 4.820 -8.321 -3.517
127 HB2 GLN 17 1HB GLN 17 6.325 -10.150 -3.681
128 HB3 GLN 17 2HB GLN 17 7.205 -8.733 -4.240
129 HG2 GLN 17 1HG GLN 17 8.158 -8.570 -1.905
130 HG3 GLN 17 2HG GLN 17 7.479 -10.171 -1.619
131 HE21 GLN 17 2HE2 GLN 17 9.961 -10.289 -1.231
132 HE22 GLN 17 1HE2 GLN 17 10.876 -10.874 -2.575
133 H LEU 18 H LEU 18 6.424 -7.569 -0.534
134 HA LEU 18 HA LEU 18 5.252 -9.743 0.947
135 HB2 LEU 18 1HB LEU 18 6.827 -7.302 1.700
136 HB3 LEU 18 2HB LEU 18 6.096 -8.341 2.922
137 HG LEU 18 HG LEU 18 7.971 -9.462 0.867
138 HD11 LEU 18 1HD1 LEU 18 9.731 -9.198 2.677
139 HD12 LEU 18 2HD1 LEU 18 8.658 -8.000 3.400
140 HD13 LEU 18 3HD1 LEU 18 9.296 -7.746 1.776
141 HD21 LEU 18 3HD2 LEU 18 7.211 -10.276 3.670
142 HD22 LEU 18 1HD2 LEU 18 8.364 -11.118 2.634
143 HD23 LEU 18 2HD2 LEU 18 6.663 -11.037 2.176
144 H ALA 19 H ALA 19 3.345 -9.779 1.956
145 HA ALA 19 HA ALA 19 1.572 -7.512 1.683
146 HB1 ALA 19 3HB ALA 19 0.085 -9.262 3.048
147 HB2 ALA 19 1HB ALA 19 0.323 -9.364 1.304
148 HB3 ALA 19 2HB ALA 19 1.285 -10.371 2.385
149 H ASN 20 H ASN 20 3.490 -9.002 4.166
150 HA ASN 20 HA ASN 20 2.132 -7.703 6.349
151 HB2 ASN 20 1HB ASN 20 4.818 -9.098 6.314
152 HB3 ASN 20 2HB ASN 20 3.893 -8.657 7.747
153 HD21 ASN 20 2HD2 ASN 20 2.403 -10.027 8.497
154 HD22 ASN 20 1HD2 ASN 20 1.931 -11.497 7.722
155 H GLN 21 H GLN 21 4.670 -6.931 4.158
156 HA GLN 21 HA GLN 21 5.860 -4.898 5.828
157 HB2 GLN 21 1HB GLN 21 7.284 -6.073 4.267
158 HB3 GLN 21 2HB GLN 21 6.255 -5.609 2.919
159 HG2 GLN 21 1HG GLN 21 8.188 -4.231 2.874
160 HG3 GLN 21 2HG GLN 21 6.827 -3.234 3.385
161 HE21 GLN 21 2HE2 GLN 21 8.730 -1.902 4.080
162 HE22 GLN 21 1HE2 GLN 21 9.329 -2.161 5.679
163 H CYS 22 H CYS 22 3.645 -5.043 3.086
164 HA CYS 22 HA CYS 22 3.497 -2.286 2.566
165 HB2 CYS 22 1HB CYS 22 2.182 -4.671 1.676
166 HB3 CYS 22 2HB CYS 22 0.966 -3.445 2.020
167 H ASN 23 H ASN 23 1.139 -4.323 4.311
168 HA ASN 23 HA ASN 23 -0.421 -2.225 5.288
169 HB2 ASN 23 1HB ASN 23 -1.587 -3.829 6.432
170 HB3 ASN 23 2HB ASN 23 -0.708 -4.878 5.324
171 HD21 ASN 23 2HD2 ASN 23 1.456 -5.619 6.155
172 HD22 ASN 23 1HD2 ASN 23 1.531 -6.086 7.816
173 H TYR 24 H TYR 24 2.565 -3.596 6.460
174 HA TYR 24 HA TYR 24 2.496 -2.518 9.072
175 HB2 TYR 24 1HB TYR 24 4.031 -4.289 8.634
176 HB3 TYR 24 2HB TYR 24 4.772 -3.407 7.302
177 HD1 TYR 24 HD1 TYR 24 4.169 -3.047 10.974
178 HD2 TYR 24 HD2 TYR 24 6.782 -2.338 7.691
179 HE1 TYR 24 HE1 TYR 24 5.857 -2.145 12.520
180 HE2 TYR 24 HE2 TYR 24 8.477 -1.435 9.228
181 HH TYR 24 HH TYR 24 9.092 -1.395 11.473
182 H ASP 25 H ASP 25 3.916 -1.340 6.042
183 HA ASP 25 HA ASP 25 4.890 1.082 7.233
184 HB2 ASP 25 1HB ASP 25 4.513 0.512 4.290
185 HB3 ASP 25 2HB ASP 25 5.599 1.691 5.023
186 H CYS 26 H CYS 26 2.021 0.094 5.487
187 HA CYS 26 HA CYS 26 1.027 2.695 4.945
188 HB2 CYS 26 1HB CYS 26 -0.262 -0.025 5.074
189 HB3 CYS 26 2HB CYS 26 -1.197 1.428 4.739
190 H LYS 27 H LYS 27 0.133 0.307 7.436
191 HA LYS 27 HA LYS 27 -1.618 2.041 8.825
192 HB2 LYS 27 1HB LYS 27 -0.168 -0.449 9.734
193 HB3 LYS 27 2HB LYS 27 -1.413 0.368 10.672
194 HG2 LYS 27 1HG LYS 27 -2.735 0.032 8.360
195 HG3 LYS 27 2HG LYS 27 -1.652 -1.360 8.297
196 HD2 LYS 27 1HD LYS 27 -3.415 -0.683 10.648
197 HD3 LYS 27 2HD LYS 27 -3.847 -1.830 9.378
198 HE2 LYS 27 1HE LYS 27 -2.166 -3.330 10.002
199 HE3 LYS 27 2HE LYS 27 -1.290 -2.107 10.920
200 HZ1 LYS 27 3HZ LYS 27 -2.299 -3.338 12.562
201 HZ2 LYS 27 1HZ LYS 27 -3.712 -3.601 11.669
202 HZ3 LYS 27 2HZ LYS 27 -3.418 -2.085 12.358
203 H LEU 28 H LEU 28 1.733 2.015 8.588
204 HA LEU 28 HA LEU 28 2.329 2.965 11.237
205 HB2 LEU 28 1HB LEU 28 3.788 2.083 8.946
206 HB3 LEU 28 2HB LEU 28 4.398 3.661 9.440
207 HG LEU 28 HG LEU 28 5.625 1.705 10.399
208 HD11 LEU 28 1HD1 LEU 28 4.294 3.388 12.507
209 HD12 LEU 28 2HD1 LEU 28 5.536 4.004 11.417
210 HD13 LEU 28 3HD1 LEU 28 5.914 2.690 12.533
211 HD21 LEU 28 3HD2 LEU 28 3.733 1.204 12.518
212 HD22 LEU 28 1HD2 LEU 28 4.578 0.063 11.470
213 HD23 LEU 28 2HD2 LEU 28 3.053 0.778 10.946
214 H ASP 29 H ASP 29 2.659 4.491 8.025
215 HA ASP 29 HA ASP 29 2.472 7.116 9.294
216 HB2 ASP 29 1HB ASP 29 4.285 6.645 7.643
217 HB3 ASP 29 2HB ASP 29 3.051 6.441 6.403
218 H LYS 30 H LYS 30 0.985 5.350 6.581
219 HA LYS 30 HA LYS 30 -1.065 7.283 6.172
220 HB2 LYS 30 1HB LYS 30 -1.195 4.392 5.333
221 HB3 LYS 30 2HB LYS 30 -1.958 5.780 4.567
222 HG2 LYS 30 1HG LYS 30 0.794 6.310 4.555
223 HG3 LYS 30 2HG LYS 30 0.614 4.620 4.079
224 HD2 LYS 30 1HD LYS 30 0.455 5.753 2.056
225 HD3 LYS 30 2HD LYS 30 -1.235 5.505 2.503
226 HE2 LYS 30 1HE LYS 30 -1.332 7.716 1.983
227 HE3 LYS 30 2HE LYS 30 -0.865 7.859 3.677
228 HZ1 LYS 30 3HZ LYS 30 1.428 7.583 2.043
229 HZ2 LYS 30 1HZ LYS 30 1.012 8.846 3.087
230 HZ3 LYS 30 2HZ LYS 30 0.476 8.865 1.483
231 H HIS 31 H HIS 31 -0.595 4.991 8.569
232 HA HIS 31 HA HIS 31 -1.915 4.042 10.168
233 HB2 HIS 31 1HB HIS 31 -3.325 6.644 9.604
234 HB3 HIS 31 2HB HIS 31 -3.895 5.538 10.851
235 HD1 HIS 31 HD1 HIS 31 -1.989 4.946 12.731
236 HD2 HIS 31 HD2 HIS 31 -1.425 8.378 10.458
237 HE1 HIS 31 HE1 HIS 31 -0.329 6.336 14.012
238 H ALA 32 H ALA 32 -2.452 3.334 7.355
239 HA ALA 32 HA ALA 32 -5.198 3.092 6.842
240 HB1 ALA 32 3HB ALA 32 -2.855 2.405 5.534
241 HB2 ALA 32 1HB ALA 32 -3.668 0.863 5.805
242 HB3 ALA 32 2HB ALA 32 -4.500 2.159 4.946
243 H ARG 33 H ARG 33 -5.683 0.413 6.358
244 HA ARG 33 HA ARG 33 -5.540 -0.843 9.012
245 HB2 ARG 33 1HB ARG 33 -7.908 -1.656 8.595
246 HB3 ARG 33 2HB ARG 33 -7.730 0.052 8.976
247 HG2 ARG 33 1HG ARG 33 -8.797 0.588 7.118
248 HG3 ARG 33 2HG ARG 33 -7.573 -0.245 6.158
249 HD2 ARG 33 1HD ARG 33 -8.934 -2.375 6.936
250 HD3 ARG 33 2HD ARG 33 -10.232 -1.192 7.095
251 HE ARG 33 HE ARG 33 -8.844 -1.101 4.571
252 HH11 ARG 33 1HH1 ARG 33 -11.464 -2.517 6.376
253 HH12 ARG 33 2HH1 ARG 33 -12.383 -2.931 4.967
254 HH21 ARG 33 1HH2 ARG 33 -10.046 -1.642 2.708
255 HH22 ARG 33 2HH2 ARG 33 -11.575 -2.434 2.882
256 H SER 34 H SER 34 -6.019 -1.225 5.543
257 HA SER 34 HA SER 34 -5.017 -3.981 5.783
258 HB2 SER 34 1HB SER 34 -7.220 -3.051 3.925
259 HB3 SER 34 2HB SER 34 -6.532 -4.674 3.971
260 HG SER 34 HG SER 34 -8.563 -4.209 5.208
261 H GLY 35 H GLY 35 -3.463 -1.685 5.266
262 HA2 GLY 35 1HA GLY 35 -3.019 -1.010 2.624
263 HA3 GLY 35 2HA GLY 35 -1.765 -1.051 3.856
264 H GLU 36 H GLU 36 -2.466 -2.124 0.883
265 HA GLU 36 HA GLU 36 -0.575 -4.330 1.114
266 HB2 GLU 36 1HB GLU 36 -3.153 -5.020 1.172
267 HB3 GLU 36 2HB GLU 36 -2.970 -4.866 -0.570
268 HG2 GLU 36 1HG GLU 36 -1.562 -6.652 -0.726
269 HG3 GLU 36 2HG GLU 36 -0.950 -6.454 0.916
270 H CYS 37 H CYS 37 0.038 -5.152 -1.116
271 HA CYS 37 HA CYS 37 0.283 -2.838 -2.908
272 HB2 CYS 37 1HB CYS 37 1.966 -5.323 -2.581
273 HB3 CYS 37 2HB CYS 37 2.182 -4.185 -3.907
274 H PHE 38 H PHE 38 -0.190 -2.983 -5.084
275 HA PHE 38 HA PHE 38 -1.005 -5.451 -6.299
276 HB2 PHE 38 1HB PHE 38 -3.021 -3.536 -5.253
277 HB3 PHE 38 2HB PHE 38 -3.321 -4.212 -6.851
278 HD1 PHE 38 HD1 PHE 38 -2.958 -6.845 -6.977
279 HD2 PHE 38 HD2 PHE 38 -3.875 -4.652 -3.445
280 HE1 PHE 38 HE1 PHE 38 -3.856 -8.889 -5.943
281 HE2 PHE 38 HE2 PHE 38 -4.773 -6.693 -2.407
282 HZ PHE 38 HZ PHE 38 -4.766 -8.815 -3.656
283 H TYR 39 H TYR 39 -1.825 -5.062 -8.564
284 HA TYR 39 HA TYR 39 -0.092 -3.149 -9.835
285 HB2 TYR 39 1HB TYR 39 -0.819 -4.149 -11.917
286 HB3 TYR 39 2HB TYR 39 -0.472 -5.425 -10.755
287 HD1 TYR 39 HD2 TYR 39 -3.098 -3.709 -12.644
288 HD2 TYR 39 HD1 TYR 39 -2.256 -6.800 -9.845
289 HE1 TYR 39 HE2 TYR 39 -5.342 -4.644 -13.013
290 HE2 TYR 39 HE1 TYR 39 -4.498 -7.746 -10.208
291 HH TYR 39 HH TYR 39 -6.252 -7.519 -12.442
292 H ASP 40 H ASP 40 -0.718 -1.449 -11.198
293 HA ASP 40 HA ASP 40 -3.386 -0.369 -10.598
294 HB2 ASP 40 1HB ASP 40 -2.345 1.823 -11.357
295 HB3 ASP 40 2HB ASP 40 -1.721 1.150 -9.853
296 H GLU 41 H GLU 41 -3.865 1.393 -12.505
297 HA GLU 41 HA GLU 41 -4.669 -0.161 -14.708
298 HB2 GLU 41 1HB GLU 41 -5.509 1.862 -15.652
299 HB3 GLU 41 2HB GLU 41 -5.748 1.967 -13.914
300 HG2 GLU 41 1HG GLU 41 -3.481 3.222 -13.932
301 HG3 GLU 41 2HG GLU 41 -3.819 3.442 -15.649
302 H LYS 42 H LYS 42 -1.725 1.452 -14.007
303 HA LYS 42 HA LYS 42 -0.869 1.447 -16.801
304 HB2 LYS 42 1HB LYS 42 0.630 2.379 -14.347
305 HB3 LYS 42 2HB LYS 42 1.093 2.652 -16.021
306 HG2 LYS 42 1HG LYS 42 -0.744 4.118 -16.376
307 HG3 LYS 42 2HG LYS 42 -1.462 3.689 -14.822
308 HD2 LYS 42 1HD LYS 42 0.583 4.634 -13.720
309 HD3 LYS 42 2HD LYS 42 1.088 5.224 -15.305
310 HE2 LYS 42 1HE LYS 42 -0.009 7.010 -14.141
311 HE3 LYS 42 2HE LYS 42 -1.054 6.475 -15.456
312 HZ1 LYS 42 3HZ LYS 42 -2.651 6.027 -14.009
313 HZ2 LYS 42 1HZ LYS 42 -1.698 6.678 -12.771
314 HZ3 LYS 42 2HZ LYS 42 -1.635 5.021 -13.104
315 H ARG 43 H ARG 43 -1.313 -1.001 -15.097
316 HA ARG 43 HA ARG 43 -0.335 -3.016 -14.680
317 HB2 ARG 43 1HB ARG 43 1.225 -2.049 -17.069
318 HB3 ARG 43 2HB ARG 43 1.488 -3.640 -16.366
319 HG2 ARG 43 1HG ARG 43 -0.008 -4.126 -18.031
320 HG3 ARG 43 2HG ARG 43 -1.093 -3.881 -16.661
321 HD2 ARG 43 1HD ARG 43 -1.627 -1.669 -17.389
322 HD3 ARG 43 2HD ARG 43 -0.370 -1.715 -18.625
323 HE ARG 43 HE ARG 43 -1.994 -3.785 -19.288
324 HH11 ARG 43 1HH1 ARG 43 -2.525 -0.402 -18.663
325 HH12 ARG 43 2HH1 ARG 43 -3.879 -0.282 -19.737
326 HH21 ARG 43 1HH2 ARG 43 -3.775 -3.641 -20.705
327 HH22 ARG 43 2HH2 ARG 43 -4.590 -2.126 -20.897
328 H ASN 44 H ASN 44 0.687 -0.681 -13.231
329 HA ASN 44 HA ASN 44 3.462 -1.527 -12.741
330 HB2 ASN 44 1HB ASN 44 2.048 1.089 -12.517
331 HB3 ASN 44 2HB ASN 44 3.361 0.764 -11.389
332 HD21 ASN 44 2HD2 ASN 44 5.226 1.531 -12.029
333 HD22 ASN 44 1HD2 ASN 44 5.769 1.678 -13.663
334 H LEU 45 H LEU 45 4.109 -2.180 -10.740
335 HA LEU 45 HA LEU 45 1.988 -2.821 -8.849
336 HB2 LEU 45 1HB LEU 45 4.870 -3.529 -8.477
337 HB3 LEU 45 2HB LEU 45 3.435 -4.380 -7.911
338 HG LEU 45 HG LEU 45 4.462 -4.289 -10.746
339 HD11 LEU 45 1HD1 LEU 45 5.128 -6.508 -10.463
340 HD12 LEU 45 2HD1 LEU 45 4.194 -6.697 -8.979
341 HD13 LEU 45 3HD1 LEU 45 5.655 -5.708 -8.982
342 HD21 LEU 45 3HD2 LEU 45 2.325 -4.661 -11.291
343 HD22 LEU 45 1HD2 LEU 45 1.860 -4.989 -9.621
344 HD23 LEU 45 2HD2 LEU 45 2.573 -6.268 -10.605
345 H GLN 46 H GLN 46 1.613 -1.706 -7.051
346 HA GLN 46 HA GLN 46 3.765 -0.192 -5.792
347 HB2 GLN 46 1HB GLN 46 1.120 1.105 -6.458
348 HB3 GLN 46 2HB GLN 46 2.511 1.864 -5.694
349 HG2 GLN 46 1HG GLN 46 2.514 0.760 -8.492
350 HG3 GLN 46 2HG GLN 46 2.208 2.447 -8.087
351 HE21 GLN 46 2HE2 GLN 46 4.153 2.305 -9.706
352 HE22 GLN 46 1HE2 GLN 46 5.707 2.392 -8.957
353 H CYS 47 H CYS 47 2.810 0.906 -3.717
354 HA CYS 47 HA CYS 47 1.253 -1.170 -2.340
355 HB2 CYS 47 1HB CYS 47 3.600 -0.477 -1.552
356 HB3 CYS 47 2HB CYS 47 2.839 1.012 -0.999
357 H ILE 48 H ILE 48 -0.842 -0.714 -2.219
358 HA ILE 48 HA ILE 48 -1.694 2.080 -1.966
359 HB ILE 48 HB ILE 48 -3.398 -0.351 -2.514
360 HG12 ILE 48 1HG1 ILE 48 -3.434 1.002 -4.833
361 HG13 ILE 48 2HG1 ILE 48 -1.819 1.435 -4.286
362 HG21 ILE 48 1HG2 ILE 48 -5.178 0.986 -2.425
363 HG22 ILE 48 2HG2 ILE 48 -4.127 2.176 -1.659
364 HG23 ILE 48 3HG2 ILE 48 -4.389 2.223 -3.402
365 HD11 ILE 48 3HD1 ILE 48 -2.595 -0.878 -5.628
366 HD12 ILE 48 1HD1 ILE 48 -1.025 -0.534 -4.900
367 HD13 ILE 48 2HD1 ILE 48 -2.262 -1.384 -3.972
368 H CYS 49 H CYS 49 -2.466 2.866 -0.117
369 HA CYS 49 HA CYS 49 -3.029 0.971 2.064
370 HB2 CYS 49 1HB CYS 49 -2.425 3.904 2.407
371 HB3 CYS 49 2HB CYS 49 -2.344 2.625 3.616
372 H ASP 50 H ASP 50 -4.969 0.971 3.057
373 HA ASP 50 HA ASP 50 -6.947 2.950 2.133
374 HB2 ASP 50 1HB ASP 50 -7.707 0.258 3.220
375 HB3 ASP 50 2HB ASP 50 -8.614 1.315 2.142
376 H TYR 51 H TYR 51 -7.700 4.293 3.623
377 HA TYR 51 HA TYR 51 -7.462 3.518 6.456
378 HB2 TYR 51 1HB TYR 51 -6.045 5.425 5.876
379 HB3 TYR 51 2HB TYR 51 -7.436 6.281 5.221
380 HD1 TYR 51 HD2 TYR 51 -6.914 4.389 8.403
381 HD2 TYR 51 HD1 TYR 51 -7.907 8.097 6.566
382 HE1 TYR 51 HE2 TYR 51 -7.353 5.362 10.619
383 HE2 TYR 51 HE1 TYR 51 -8.348 9.080 8.778
384 HH TYR 51 HH TYR 51 -9.064 7.794 11.254
385 H CYS 52 H CYS 52 -9.347 2.970 7.307
386 HA CYS 52 HA CYS 52 -11.743 4.495 6.519
387 HB2 CYS 52 1HB CYS 52 -11.613 2.066 5.717
388 HB3 CYS 52 2HB CYS 52 -11.803 1.616 7.409
389 H GLU 53 H GLU 53 -13.050 5.231 8.122
390 HA GLU 53 HA GLU 53 -12.021 5.004 10.840
391 HB2 GLU 53 1HB GLU 53 -12.827 7.178 9.554
392 HB3 GLU 53 2HB GLU 53 -14.397 6.676 10.165
393 HG2 GLU 53 1HG GLU 53 -11.947 7.388 11.748
394 HG3 GLU 53 2HG GLU 53 -13.500 8.222 11.714
395 H TYR 54 H TYR 54 -12.685 3.134 11.749
396 HA TYR 54 HA TYR 54 -15.468 2.299 11.457
397 HB2 TYR 54 1HB TYR 54 -13.433 0.726 11.257
398 HB3 TYR 54 2HB TYR 54 -13.353 0.825 13.012
399 HD1 TYR 54 HD1 TYR 54 -15.932 0.222 10.366
400 HD2 TYR 54 HD2 TYR 54 -14.396 -0.858 14.185
401 HE1 TYR 54 HE1 TYR 54 -17.624 -1.554 10.537
402 HE2 TYR 54 HE2 TYR 54 -16.083 -2.638 14.366
403 HH TYR 54 HH TYR 54 -18.695 -2.933 12.092
Start of MODEL 6
1 H1 ASP 2 H ASP 2 -17.441 2.631 1.347
2 HA ASP 2 HA ASP 2 -16.749 4.980 1.383
3 HB2 ASP 2 1HB ASP 2 -17.964 3.940 3.942
4 HB3 ASP 2 2HB ASP 2 -17.788 5.658 3.600
5 H CYS 3 H CYS 3 -14.325 3.664 1.723
6 HA CYS 3 HA CYS 3 -13.160 5.050 4.049
7 HB2 CYS 3 1HB CYS 3 -11.891 2.725 2.609
8 HB3 CYS 3 2HB CYS 3 -11.497 3.367 4.200
9 H LYS 4 H LYS 4 -10.723 5.491 3.657
10 HA LYS 4 HA LYS 4 -10.454 6.721 0.993
11 HB2 LYS 4 1HB LYS 4 -10.490 8.520 2.470
12 HB3 LYS 4 2HB LYS 4 -9.625 7.637 3.722
13 HG2 LYS 4 1HG LYS 4 -7.582 8.107 2.841
14 HG3 LYS 4 2HG LYS 4 -8.189 8.185 1.187
15 HD2 LYS 4 1HD LYS 4 -8.825 10.254 3.281
16 HD3 LYS 4 2HD LYS 4 -7.450 10.381 2.182
17 HE2 LYS 4 1HE LYS 4 -9.175 10.057 0.309
18 HE3 LYS 4 2HE LYS 4 -10.383 10.418 1.541
19 HZ1 LYS 4 3HZ LYS 4 -8.770 12.450 1.934
20 HZ2 LYS 4 1HZ LYS 4 -9.998 12.500 0.771
21 HZ3 LYS 4 2HZ LYS 4 -8.404 12.175 0.306
22 H ARG 5 H ARG 5 -8.939 5.885 -0.271
23 HA ARG 5 HA ARG 5 -6.587 4.632 0.983
24 HB2 ARG 5 1HB ARG 5 -6.606 2.975 -0.884
25 HB3 ARG 5 2HB ARG 5 -7.979 2.835 0.206
26 HG2 ARG 5 1HG ARG 5 -8.990 2.628 -1.842
27 HG3 ARG 5 2HG ARG 5 -9.167 4.359 -1.538
28 HD2 ARG 5 1HD ARG 5 -7.617 4.935 -3.121
29 HD3 ARG 5 2HD ARG 5 -6.730 3.419 -2.959
30 HE ARG 5 HE ARG 5 -9.346 3.082 -4.084
31 HH11 ARG 5 1HH1 ARG 5 -6.029 3.880 -4.781
32 HH12 ARG 5 2HH1 ARG 5 -6.124 3.394 -6.441
33 HH21 ARG 5 1HH2 ARG 5 -9.483 2.438 -6.269
34 HH22 ARG 5 2HH2 ARG 5 -8.090 2.574 -7.286
35 H LYS 6 H LYS 6 -4.682 4.544 -0.407
36 HA LYS 6 HA LYS 6 -4.582 6.105 -2.805
37 HB2 LYS 6 1HB LYS 6 -4.656 7.901 -1.114
38 HB3 LYS 6 2HB LYS 6 -3.235 7.216 -0.336
39 HG2 LYS 6 1HG LYS 6 -1.819 8.044 -1.883
40 HG3 LYS 6 2HG LYS 6 -2.968 7.833 -3.207
41 HD2 LYS 6 1HD LYS 6 -3.568 9.881 -1.134
42 HD3 LYS 6 2HD LYS 6 -2.302 10.233 -2.312
43 HE2 LYS 6 1HE LYS 6 -4.133 11.065 -3.409
44 HE3 LYS 6 2HE LYS 6 -4.114 9.413 -4.026
45 HZ1 LYS 6 3HZ LYS 6 -5.992 8.888 -2.931
46 HZ2 LYS 6 1HZ LYS 6 -6.266 10.557 -2.975
47 HZ3 LYS 6 2HZ LYS 6 -5.626 9.842 -1.582
48 H VAL 7 H VAL 7 -2.663 5.827 -3.939
49 HA VAL 7 HA VAL 7 -0.958 3.679 -2.918
50 HB VAL 7 HB VAL 7 -1.923 3.363 -5.145
51 HG11 VAL 7 1HG1 VAL 7 -1.506 6.043 -5.490
52 HG12 VAL 7 2HG1 VAL 7 -0.234 5.336 -6.487
53 HG13 VAL 7 3HG1 VAL 7 -1.920 4.904 -6.770
54 HG21 VAL 7 3HG2 VAL 7 0.733 3.629 -6.139
55 HG22 VAL 7 1HG2 VAL 7 0.810 3.146 -4.445
56 HG23 VAL 7 2HG2 VAL 7 -0.103 2.173 -5.597
57 H TYR 8 H TYR 8 1.144 3.938 -2.429
58 HA TYR 8 HA TYR 8 2.271 6.637 -2.733
59 HB2 TYR 8 1HB TYR 8 2.135 4.875 -0.518
60 HB3 TYR 8 2HB TYR 8 3.829 4.987 -0.982
61 HD1 TYR 8 HD2 TYR 8 4.106 7.739 -1.873
62 HD2 TYR 8 HD1 TYR 8 1.863 6.171 1.384
63 HE1 TYR 8 HE2 TYR 8 4.285 9.902 -0.717
64 HE2 TYR 8 HE1 TYR 8 2.035 8.331 2.549
65 HH TYR 8 HH TYR 8 3.931 10.396 2.326
66 H GLU 9 H GLU 9 3.089 6.421 -4.816
67 HA GLU 9 HA GLU 9 4.678 4.238 -5.675
68 HB2 GLU 9 1HB GLU 9 5.233 5.622 -7.592
69 HB3 GLU 9 2HB GLU 9 3.518 5.762 -7.229
70 HG2 GLU 9 1HG GLU 9 3.753 7.922 -6.376
71 HG3 GLU 9 2HG GLU 9 5.500 7.758 -6.200
72 H ASN 10 H ASN 10 5.331 6.881 -3.640
73 HA ASN 10 HA ASN 10 8.043 7.363 -4.168
74 HB2 ASN 10 1HB ASN 10 6.164 7.899 -1.963
75 HB3 ASN 10 2HB ASN 10 7.854 7.796 -1.477
76 HD21 ASN 10 2HD2 ASN 10 6.306 9.027 -4.415
77 HD22 ASN 10 1HD2 ASN 10 6.971 10.619 -4.305
78 H TYR 11 H TYR 11 6.477 4.671 -2.753
79 HA TYR 11 HA TYR 11 8.914 3.728 -1.446
80 HB2 TYR 11 1HB TYR 11 6.034 2.948 -1.356
81 HB3 TYR 11 2HB TYR 11 7.241 1.730 -0.963
82 HD1 TYR 11 HD1 TYR 11 9.249 3.094 0.544
83 HD2 TYR 11 HD2 TYR 11 5.040 3.709 0.582
84 HE1 TYR 11 HE1 TYR 11 9.406 3.983 2.832
85 HE2 TYR 11 HE2 TYR 11 5.184 4.600 2.869
86 HH TYR 11 HH TYR 11 6.818 5.612 4.350
87 HA PRO 12 HA PRO 12 10.134 1.039 -4.696
88 HB2 PRO 12 1HB PRO 12 11.240 -1.000 -3.287
89 HB3 PRO 12 2HB PRO 12 12.007 0.584 -3.447
90 HG2 PRO 12 1HG PRO 12 10.390 -0.516 -1.181
91 HG3 PRO 12 2HG PRO 12 11.894 0.422 -1.130
92 HD2 PRO 12 1HD PRO 12 9.467 1.535 -0.682
93 HD3 PRO 12 2HD PRO 12 10.802 2.427 -1.441
94 H VAL 13 H VAL 13 9.445 -0.721 -5.861
95 HA VAL 13 HA VAL 13 6.920 -1.834 -5.206
96 HB VAL 13 HB VAL 13 8.859 -2.805 -7.309
97 HG11 VAL 13 1HG1 VAL 13 6.118 -3.511 -6.561
98 HG12 VAL 13 2HG1 VAL 13 6.333 -3.163 -8.278
99 HG13 VAL 13 3HG1 VAL 13 7.308 -4.411 -7.501
100 HG21 VAL 13 3HG2 VAL 13 6.909 -0.530 -7.287
101 HG22 VAL 13 1HG2 VAL 13 8.579 -0.562 -7.852
102 HG23 VAL 13 2HG2 VAL 13 7.315 -1.355 -8.792
103 H SER 14 H SER 14 10.093 -2.692 -4.348
104 HA SER 14 HA SER 14 9.979 -5.473 -4.207
105 HB2 SER 14 1HB SER 14 11.500 -3.388 -2.674
106 HB3 SER 14 2HB SER 14 11.607 -5.084 -2.201
107 HG SER 14 HG SER 14 12.278 -3.940 -4.707
108 H LYS 15 H LYS 15 8.715 -3.019 -2.042
109 HA LYS 15 HA LYS 15 8.151 -4.624 0.180
110 HB2 LYS 15 1HB LYS 15 6.457 -2.304 -0.741
111 HB3 LYS 15 2HB LYS 15 6.691 -2.880 0.905
112 HG2 LYS 15 1HG LYS 15 8.711 -1.496 -0.843
113 HG3 LYS 15 2HG LYS 15 7.937 -0.863 0.611
114 HD2 LYS 15 1HD LYS 15 8.998 -3.021 1.697
115 HD3 LYS 15 2HD LYS 15 10.108 -2.885 0.332
116 HE2 LYS 15 1HE LYS 15 10.271 -0.391 1.079
117 HE3 LYS 15 2HE LYS 15 9.661 -1.006 2.614
118 HZ1 LYS 15 3HZ LYS 15 12.210 -0.891 2.140
119 HZ2 LYS 15 1HZ LYS 15 11.935 -2.366 1.358
120 HZ3 LYS 15 2HZ LYS 15 11.556 -2.195 2.998
121 H CYS 16 H CYS 16 6.394 -4.110 -2.815
122 HA CYS 16 HA CYS 16 3.921 -5.180 -2.136
123 HB2 CYS 16 1HB CYS 16 4.287 -4.059 -4.259
124 HB3 CYS 16 2HB CYS 16 5.407 -5.321 -4.766
125 H GLN 17 H GLN 17 6.962 -6.753 -2.675
126 HA GLN 17 HA GLN 17 6.043 -9.350 -3.247
127 HB2 GLN 17 1HB GLN 17 8.578 -8.618 -1.777
128 HB3 GLN 17 2HB GLN 17 8.266 -10.096 -2.678
129 HG2 GLN 17 1HG GLN 17 8.349 -7.350 -3.904
130 HG3 GLN 17 2HG GLN 17 9.715 -8.462 -3.854
131 HE21 GLN 17 2HE2 GLN 17 9.488 -10.502 -4.955
132 HE22 GLN 17 1HE2 GLN 17 8.461 -10.618 -6.339
133 H LEU 18 H LEU 18 6.081 -7.524 -0.341
134 HA LEU 18 HA LEU 18 5.418 -9.942 1.207
135 HB2 LEU 18 1HB LEU 18 6.451 -7.335 2.302
136 HB3 LEU 18 2HB LEU 18 6.230 -8.849 3.176
137 HG LEU 18 HG LEU 18 8.206 -8.527 0.927
138 HD11 LEU 18 1HD1 LEU 18 9.836 -8.531 2.956
139 HD12 LEU 18 2HD1 LEU 18 8.446 -7.890 3.834
140 HD13 LEU 18 3HD1 LEU 18 9.082 -7.023 2.435
141 HD21 LEU 18 3HD2 LEU 18 7.228 -10.756 2.319
142 HD22 LEU 18 1HD2 LEU 18 8.845 -10.453 2.956
143 HD23 LEU 18 2HD2 LEU 18 8.609 -10.689 1.224
144 H ALA 19 H ALA 19 3.519 -10.019 2.283
145 HA ALA 19 HA ALA 19 1.604 -7.896 1.749
146 HB1 ALA 19 3HB ALA 19 1.424 -10.731 2.631
147 HB2 ALA 19 1HB ALA 19 0.096 -9.638 3.020
148 HB3 ALA 19 2HB ALA 19 0.567 -9.893 1.339
149 H ASN 20 H ASN 20 3.500 -9.130 4.368
150 HA ASN 20 HA ASN 20 1.928 -7.788 6.403
151 HB2 ASN 20 1HB ASN 20 4.452 -9.437 6.480
152 HB3 ASN 20 2HB ASN 20 3.837 -8.597 7.902
153 HD21 ASN 20 2HD2 ASN 20 1.674 -9.141 8.616
154 HD22 ASN 20 1HD2 ASN 20 1.082 -10.745 8.366
155 H GLN 21 H GLN 21 4.633 -7.136 4.387
156 HA GLN 21 HA GLN 21 5.756 -5.074 6.054
157 HB2 GLN 21 1HB GLN 21 7.046 -6.481 4.383
158 HB3 GLN 21 2HB GLN 21 6.284 -5.526 3.119
159 HG2 GLN 21 1HG GLN 21 8.142 -4.286 3.320
160 HG3 GLN 21 2HG GLN 21 7.251 -3.551 4.651
161 HE21 GLN 21 2HE2 GLN 21 8.639 -3.148 6.217
162 HE22 GLN 21 1HE2 GLN 21 9.824 -4.245 6.829
163 H CYS 22 H CYS 22 3.694 -5.230 3.189
164 HA CYS 22 HA CYS 22 3.599 -2.489 2.618
165 HB2 CYS 22 1HB CYS 22 2.350 -4.850 1.670
166 HB3 CYS 22 2HB CYS 22 1.066 -3.704 2.042
167 H ASN 23 H ASN 23 1.105 -4.429 4.281
168 HA ASN 23 HA ASN 23 -0.439 -2.283 5.157
169 HB2 ASN 23 1HB ASN 23 -1.641 -3.822 6.410
170 HB3 ASN 23 2HB ASN 23 -0.891 -4.861 5.201
171 HD21 ASN 23 2HD2 ASN 23 -1.583 -4.628 8.363
172 HD22 ASN 23 1HD2 ASN 23 -0.337 -5.627 9.025
173 H TYR 24 H TYR 24 2.444 -3.721 6.516
174 HA TYR 24 HA TYR 24 2.305 -2.608 9.093
175 HB2 TYR 24 1HB TYR 24 3.870 -4.359 8.725
176 HB3 TYR 24 2HB TYR 24 4.631 -3.500 7.392
177 HD1 TYR 24 HD1 TYR 24 3.762 -2.445 10.871
178 HD2 TYR 24 HD2 TYR 24 6.821 -3.042 7.974
179 HE1 TYR 24 HE1 TYR 24 5.415 -1.505 12.431
180 HE2 TYR 24 HE2 TYR 24 8.482 -2.104 9.527
181 HH TYR 24 HH TYR 24 7.933 -1.692 12.779
182 H ASP 25 H ASP 25 3.948 -1.449 6.158
183 HA ASP 25 HA ASP 25 4.816 0.987 7.369
184 HB2 ASP 25 1HB ASP 25 4.771 -0.079 4.563
185 HB3 ASP 25 2HB ASP 25 5.162 1.613 4.860
186 H CYS 26 H CYS 26 1.987 -0.030 5.601
187 HA CYS 26 HA CYS 26 1.016 2.562 4.960
188 HB2 CYS 26 1HB CYS 26 -0.235 -0.170 5.092
189 HB3 CYS 26 2HB CYS 26 -1.218 1.260 4.789
190 H LYS 27 H LYS 27 0.438 0.334 7.646
191 HA LYS 27 HA LYS 27 -1.461 2.081 8.919
192 HB2 LYS 27 1HB LYS 27 -0.017 -0.333 10.032
193 HB3 LYS 27 2HB LYS 27 -1.416 0.457 10.747
194 HG2 LYS 27 1HG LYS 27 -2.867 -0.382 9.174
195 HG3 LYS 27 2HG LYS 27 -1.598 -0.600 7.965
196 HD2 LYS 27 1HD LYS 27 -2.262 -2.765 8.746
197 HD3 LYS 27 2HD LYS 27 -0.655 -2.420 9.390
198 HE2 LYS 27 1HE LYS 27 -1.850 -1.587 11.479
199 HE3 LYS 27 2HE LYS 27 -3.298 -2.348 10.821
200 HZ1 LYS 27 3HZ LYS 27 -2.523 -4.097 11.984
201 HZ2 LYS 27 1HZ LYS 27 -0.917 -3.566 11.959
202 HZ3 LYS 27 2HZ LYS 27 -1.570 -4.348 10.610
203 H LEU 28 H LEU 28 1.875 2.063 8.661
204 HA LEU 28 HA LEU 28 2.488 3.051 11.296
205 HB2 LEU 28 1HB LEU 28 3.998 1.774 9.584
206 HB3 LEU 28 2HB LEU 28 4.302 3.390 8.949
207 HG LEU 28 HG LEU 28 6.067 2.664 10.477
208 HD11 LEU 28 1HD1 LEU 28 6.316 4.695 11.491
209 HD12 LEU 28 2HD1 LEU 28 4.629 4.779 11.995
210 HD13 LEU 28 3HD1 LEU 28 5.063 5.090 10.315
211 HD21 LEU 28 3HD2 LEU 28 4.501 1.243 11.872
212 HD22 LEU 28 1HD2 LEU 28 4.022 2.735 12.681
213 HD23 LEU 28 2HD2 LEU 28 5.697 2.189 12.758
214 H ASP 29 H ASP 29 2.796 4.508 8.051
215 HA ASP 29 HA ASP 29 2.644 7.160 9.262
216 HB2 ASP 29 1HB ASP 29 3.603 6.077 6.658
217 HB3 ASP 29 2HB ASP 29 3.010 7.734 6.685
218 H LYS 30 H LYS 30 1.096 5.352 6.613
219 HA LYS 30 HA LYS 30 -0.955 7.289 6.216
220 HB2 LYS 30 1HB LYS 30 -0.272 4.625 5.149
221 HB3 LYS 30 2HB LYS 30 -1.986 5.019 5.129
222 HG2 LYS 30 1HG LYS 30 0.044 6.927 4.036
223 HG3 LYS 30 2HG LYS 30 -0.564 5.582 3.067
224 HD2 LYS 30 1HD LYS 30 -2.686 7.071 4.396
225 HD3 LYS 30 2HD LYS 30 -1.727 8.074 3.306
226 HE2 LYS 30 1HE LYS 30 -3.032 7.271 1.680
227 HE3 LYS 30 2HE LYS 30 -2.107 5.780 1.845
228 HZ1 LYS 30 3HZ LYS 30 -3.756 4.952 3.385
229 HZ2 LYS 30 1HZ LYS 30 -4.501 5.392 1.932
230 HZ3 LYS 30 2HZ LYS 30 -4.630 6.396 3.286
231 H HIS 31 H HIS 31 -0.445 5.026 8.629
232 HA HIS 31 HA HIS 31 -1.737 4.099 10.264
233 HB2 HIS 31 1HB HIS 31 -3.216 6.662 9.681
234 HB3 HIS 31 2HB HIS 31 -3.680 5.585 10.995
235 HD1 HIS 31 HD1 HIS 31 -1.766 8.502 10.431
236 HD2 HIS 31 HD2 HIS 31 -1.220 5.086 12.732
237 HE1 HIS 31 HE1 HIS 31 -0.058 9.127 12.167
238 H ALA 32 H ALA 32 -2.312 3.343 7.471
239 HA ALA 32 HA ALA 32 -5.063 3.082 7.000
240 HB1 ALA 32 3HB ALA 32 -2.732 2.374 5.677
241 HB2 ALA 32 1HB ALA 32 -3.543 0.838 5.982
242 HB3 ALA 32 2HB ALA 32 -4.383 2.121 5.111
243 H ARG 33 H ARG 33 -5.547 0.394 6.572
244 HA ARG 33 HA ARG 33 -5.380 -0.803 9.253
245 HB2 ARG 33 1HB ARG 33 -7.620 0.298 8.757
246 HB3 ARG 33 2HB ARG 33 -7.852 -0.941 7.532
247 HG2 ARG 33 1HG ARG 33 -8.912 -1.963 9.245
248 HG3 ARG 33 2HG ARG 33 -7.273 -2.522 9.592
249 HD2 ARG 33 1HD ARG 33 -6.970 -0.802 11.235
250 HD3 ARG 33 2HD ARG 33 -8.503 -0.048 10.795
251 HE ARG 33 HE ARG 33 -9.079 -2.647 11.564
252 HH11 ARG 33 1HH1 ARG 33 -7.732 0.227 12.993
253 HH12 ARG 33 2HH1 ARG 33 -8.293 -0.147 14.590
254 HH21 ARG 33 1HH2 ARG 33 -9.822 -3.151 13.661
255 HH22 ARG 33 2HH2 ARG 33 -9.481 -2.070 14.968
256 H SER 34 H SER 34 -5.910 -1.295 5.798
257 HA SER 34 HA SER 34 -4.776 -3.991 6.084
258 HB2 SER 34 1HB SER 34 -7.194 -3.240 4.424
259 HB3 SER 34 2HB SER 34 -6.366 -4.794 4.334
260 HG SER 34 HG SER 34 -6.789 -4.793 6.739
261 H GLY 35 H GLY 35 -3.379 -1.660 5.374
262 HA2 GLY 35 1HA GLY 35 -3.146 -1.022 2.709
263 HA3 GLY 35 2HA GLY 35 -1.792 -1.038 3.830
264 H GLU 36 H GLU 36 -2.556 -2.036 0.910
265 HA GLU 36 HA GLU 36 -0.695 -4.265 1.017
266 HB2 GLU 36 1HB GLU 36 -3.242 -4.989 1.228
267 HB3 GLU 36 2HB GLU 36 -3.201 -4.776 -0.516
268 HG2 GLU 36 1HG GLU 36 -1.755 -6.525 -0.838
269 HG3 GLU 36 2HG GLU 36 -1.081 -6.408 0.787
270 H CYS 37 H CYS 37 -0.308 -5.103 -1.300
271 HA CYS 37 HA CYS 37 -0.073 -2.749 -3.039
272 HB2 CYS 37 1HB CYS 37 1.828 -3.746 -4.014
273 HB3 CYS 37 2HB CYS 37 1.981 -4.083 -2.293
274 H PHE 38 H PHE 38 -0.362 -3.030 -5.347
275 HA PHE 38 HA PHE 38 -1.612 -5.353 -6.415
276 HB2 PHE 38 1HB PHE 38 -3.311 -3.205 -5.327
277 HB3 PHE 38 2HB PHE 38 -3.713 -3.701 -6.969
278 HD1 PHE 38 HD1 PHE 38 -3.656 -6.395 -7.239
279 HD2 PHE 38 HD2 PHE 38 -4.468 -4.245 -3.656
280 HE1 PHE 38 HE1 PHE 38 -4.877 -8.339 -6.353
281 HE2 PHE 38 HE2 PHE 38 -5.690 -6.186 -2.764
282 HZ PHE 38 HZ PHE 38 -5.897 -8.236 -4.113
283 H TYR 39 H TYR 39 -2.324 -5.007 -8.687
284 HA TYR 39 HA TYR 39 -0.392 -3.391 -10.056
285 HB2 TYR 39 1HB TYR 39 -1.176 -4.421 -12.055
286 HB3 TYR 39 2HB TYR 39 -1.212 -5.666 -10.811
287 HD1 TYR 39 HD1 TYR 39 -3.387 -6.365 -9.830
288 HD2 TYR 39 HD2 TYR 39 -3.173 -3.691 -13.133
289 HE1 TYR 39 HE1 TYR 39 -5.757 -6.795 -10.325
290 HE2 TYR 39 HE2 TYR 39 -5.542 -4.112 -13.635
291 HH TYR 39 HH TYR 39 -7.304 -6.654 -12.192
292 H ASP 40 H ASP 40 -0.680 -1.525 -11.177
293 HA ASP 40 HA ASP 40 -3.226 -0.137 -10.749
294 HB2 ASP 40 1HB ASP 40 -1.871 1.896 -11.455
295 HB3 ASP 40 2HB ASP 40 -1.405 1.143 -9.932
296 H GLU 41 H GLU 41 -3.395 1.679 -12.657
297 HA GLU 41 HA GLU 41 -4.320 0.255 -14.899
298 HB2 GLU 41 1HB GLU 41 -4.834 2.382 -15.863
299 HB3 GLU 41 2HB GLU 41 -5.141 2.498 -14.136
300 HG2 GLU 41 1HG GLU 41 -2.879 3.545 -13.898
301 HG3 GLU 41 2HG GLU 41 -2.795 3.598 -15.657
302 H LYS 42 H LYS 42 -1.216 1.480 -14.087
303 HA LYS 42 HA LYS 42 -0.270 1.347 -16.848
304 HB2 LYS 42 1HB LYS 42 1.220 2.121 -14.333
305 HB3 LYS 42 2HB LYS 42 1.816 2.280 -15.981
306 HG2 LYS 42 1HG LYS 42 -0.572 3.725 -14.846
307 HG3 LYS 42 2HG LYS 42 1.041 4.412 -15.058
308 HD2 LYS 42 1HD LYS 42 -0.662 3.303 -17.290
309 HD3 LYS 42 2HD LYS 42 -0.539 5.014 -16.876
310 HE2 LYS 42 1HE LYS 42 2.039 4.546 -17.129
311 HE3 LYS 42 2HE LYS 42 1.474 3.205 -18.124
312 HZ1 LYS 42 3HZ LYS 42 0.346 4.710 -19.560
313 HZ2 LYS 42 1HZ LYS 42 1.925 5.286 -19.369
314 HZ3 LYS 42 2HZ LYS 42 0.650 6.025 -18.540
315 H ARG 43 H ARG 43 -1.081 -1.015 -15.169
316 HA ARG 43 HA ARG 43 -0.377 -3.133 -14.704
317 HB2 ARG 43 1HB ARG 43 1.486 -2.448 -16.981
318 HB3 ARG 43 2HB ARG 43 1.287 -4.068 -16.327
319 HG2 ARG 43 1HG ARG 43 -0.130 -4.135 -18.122
320 HG3 ARG 43 2HG ARG 43 -1.238 -3.650 -16.838
321 HD2 ARG 43 1HD ARG 43 -1.184 -1.381 -17.529
322 HD3 ARG 43 2HD ARG 43 0.177 -1.675 -18.611
323 HE ARG 43 HE ARG 43 -1.796 -3.301 -19.553
324 HH11 ARG 43 1HH1 ARG 43 -1.533 0.106 -18.890
325 HH12 ARG 43 2HH1 ARG 43 -2.655 0.566 -20.127
326 HH21 ARG 43 1HH2 ARG 43 -3.275 -2.707 -21.186
327 HH22 ARG 43 2HH2 ARG 43 -3.646 -1.034 -21.431
328 H ASN 44 H ASN 44 0.872 -0.947 -13.215
329 HA ASN 44 HA ASN 44 3.503 -2.129 -12.630
330 HB2 ASN 44 1HB ASN 44 2.433 0.647 -12.498
331 HB3 ASN 44 2HB ASN 44 3.621 0.179 -11.284
332 HD21 ASN 44 2HD2 ASN 44 3.980 2.149 -13.281
333 HD22 ASN 44 1HD2 ASN 44 5.268 1.627 -14.309
334 H LEU 45 H LEU 45 4.075 -2.621 -10.511
335 HA LEU 45 HA LEU 45 1.797 -3.009 -8.708
336 HB2 LEU 45 1HB LEU 45 4.546 -4.165 -8.367
337 HB3 LEU 45 2HB LEU 45 3.030 -4.720 -7.659
338 HG LEU 45 HG LEU 45 3.735 -4.909 -10.587
339 HD11 LEU 45 1HD1 LEU 45 5.179 -6.413 -9.542
340 HD12 LEU 45 2HD1 LEU 45 3.787 -7.397 -9.989
341 HD13 LEU 45 3HD1 LEU 45 3.986 -6.857 -8.323
342 HD21 LEU 45 3HD2 LEU 45 1.572 -5.311 -10.876
343 HD22 LEU 45 1HD2 LEU 45 1.274 -5.176 -9.143
344 HD23 LEU 45 2HD2 LEU 45 1.732 -6.730 -9.840
345 H GLN 46 H GLN 46 1.525 -1.651 -7.077
346 HA GLN 46 HA GLN 46 3.892 -0.469 -5.802
347 HB2 GLN 46 1HB GLN 46 1.356 1.064 -6.389
348 HB3 GLN 46 2HB GLN 46 2.830 1.695 -5.667
349 HG2 GLN 46 1HG GLN 46 2.507 0.697 -8.487
350 HG3 GLN 46 2HG GLN 46 2.661 2.376 -7.976
351 HE21 GLN 46 2HE2 GLN 46 4.675 2.240 -6.153
352 HE22 GLN 46 1HE2 GLN 46 6.139 1.746 -6.925
353 H CYS 47 H CYS 47 3.316 0.538 -3.649
354 HA CYS 47 HA CYS 47 1.598 -1.335 -2.210
355 HB2 CYS 47 1HB CYS 47 4.003 -0.782 -1.519
356 HB3 CYS 47 2HB CYS 47 3.370 0.769 -0.979
357 H ILE 48 H ILE 48 -0.463 -0.759 -2.021
358 HA ILE 48 HA ILE 48 -1.131 2.084 -1.715
359 HB ILE 48 HB ILE 48 -2.980 -0.221 -2.337
360 HG12 ILE 48 1HG1 ILE 48 -2.929 1.377 -4.560
361 HG13 ILE 48 2HG1 ILE 48 -1.254 1.464 -4.025
362 HG21 ILE 48 1HG2 ILE 48 -3.420 2.761 -2.393
363 HG22 ILE 48 2HG2 ILE 48 -4.576 1.548 -2.942
364 HG23 ILE 48 3HG2 ILE 48 -4.114 1.620 -1.241
365 HD11 ILE 48 3HD1 ILE 48 -0.957 -0.415 -5.167
366 HD12 ILE 48 1HD1 ILE 48 -1.826 -1.219 -3.860
367 HD13 ILE 48 2HD1 ILE 48 -2.692 -0.701 -5.307
368 H CYS 49 H CYS 49 -2.401 2.823 -0.025
369 HA CYS 49 HA CYS 49 -2.754 0.937 2.211
370 HB2 CYS 49 1HB CYS 49 -2.336 3.909 2.508
371 HB3 CYS 49 2HB CYS 49 -2.241 2.672 3.756
372 H ASP 50 H ASP 50 -4.698 0.852 3.209
373 HA ASP 50 HA ASP 50 -6.779 2.707 2.248
374 HB2 ASP 50 1HB ASP 50 -7.065 -0.217 2.972
375 HB3 ASP 50 2HB ASP 50 -8.398 0.853 2.544
376 H TYR 51 H TYR 51 -7.725 3.900 3.761
377 HA TYR 51 HA TYR 51 -7.514 3.020 6.566
378 HB2 TYR 51 1HB TYR 51 -6.198 5.071 5.958
379 HB3 TYR 51 2HB TYR 51 -7.720 5.872 5.585
380 HD1 TYR 51 HD2 TYR 51 -6.941 3.572 8.405
381 HD2 TYR 51 HD1 TYR 51 -7.875 7.546 7.208
382 HE1 TYR 51 HE2 TYR 51 -7.169 4.224 10.767
383 HE2 TYR 51 HE1 TYR 51 -8.104 8.209 9.565
384 HH TYR 51 HH TYR 51 -7.159 7.330 11.825
385 H CYS 52 H CYS 52 -9.403 2.313 7.289
386 HA CYS 52 HA CYS 52 -11.874 3.519 6.254
387 HB2 CYS 52 1HB CYS 52 -11.302 0.877 7.591
388 HB3 CYS 52 2HB CYS 52 -12.940 1.484 7.372
389 H GLU 53 H GLU 53 -13.110 4.763 7.507
390 HA GLU 53 HA GLU 53 -12.448 4.919 10.371
391 HB2 GLU 53 1HB GLU 53 -12.150 6.970 8.894
392 HB3 GLU 53 2HB GLU 53 -13.903 7.013 8.762
393 HG2 GLU 53 1HG GLU 53 -14.187 7.527 11.011
394 HG3 GLU 53 2HG GLU 53 -12.564 6.985 11.436
395 H TYR 54 H TYR 54 -13.822 3.679 11.485
396 HA TYR 54 HA TYR 54 -16.663 3.689 10.734
397 HB2 TYR 54 1HB TYR 54 -15.304 1.507 10.938
398 HB3 TYR 54 2HB TYR 54 -15.395 1.770 12.676
399 HD1 TYR 54 HD1 TYR 54 -17.380 1.111 9.636
400 HD2 TYR 54 HD2 TYR 54 -17.411 1.359 13.884
401 HE1 TYR 54 HE1 TYR 54 -19.597 0.046 9.677
402 HE2 TYR 54 HE2 TYR 54 -19.628 0.294 13.935
403 HH TYR 54 HH TYR 54 -20.931 -1.358 11.426
Start of MODEL 7
1 H1 ASP 2 H ASP 2 -17.858 4.835 5.365
2 HA ASP 2 HA ASP 2 -17.140 4.943 2.513
3 HB2 ASP 2 1HB ASP 2 -18.445 6.972 3.352
4 HB3 ASP 2 2HB ASP 2 -17.028 7.347 4.331
5 H CYS 3 H CYS 3 -15.005 4.858 2.056
6 HA CYS 3 HA CYS 3 -13.097 5.096 4.278
7 HB2 CYS 3 1HB CYS 3 -12.835 2.958 2.171
8 HB3 CYS 3 2HB CYS 3 -11.974 3.094 3.701
9 H LYS 4 H LYS 4 -10.770 5.059 3.346
10 HA LYS 4 HA LYS 4 -10.665 6.484 0.781
11 HB2 LYS 4 1HB LYS 4 -8.866 7.951 1.871
12 HB3 LYS 4 2HB LYS 4 -10.544 8.290 2.275
13 HG2 LYS 4 1HG LYS 4 -10.326 7.209 4.393
14 HG3 LYS 4 2HG LYS 4 -8.715 6.616 3.980
15 HD2 LYS 4 1HD LYS 4 -8.189 8.448 5.265
16 HD3 LYS 4 2HD LYS 4 -8.200 9.166 3.653
17 HE2 LYS 4 1HE LYS 4 -10.689 9.130 5.312
18 HE3 LYS 4 2HE LYS 4 -9.451 10.353 5.595
19 HZ1 LYS 4 3HZ LYS 4 -10.796 11.384 4.070
20 HZ2 LYS 4 1HZ LYS 4 -11.161 9.956 3.238
21 HZ3 LYS 4 2HZ LYS 4 -9.647 10.683 3.045
22 H ARG 5 H ARG 5 -8.673 6.332 -0.334
23 HA ARG 5 HA ARG 5 -6.633 4.563 0.764
24 HB2 ARG 5 1HB ARG 5 -6.635 3.167 -1.295
25 HB3 ARG 5 2HB ARG 5 -8.094 2.990 -0.328
26 HG2 ARG 5 1HG ARG 5 -8.980 3.137 -2.429
27 HG3 ARG 5 2HG ARG 5 -9.022 4.832 -1.938
28 HD2 ARG 5 1HD ARG 5 -7.319 5.425 -3.346
29 HD3 ARG 5 2HD ARG 5 -6.581 3.825 -3.302
30 HE ARG 5 HE ARG 5 -9.032 3.581 -4.597
31 HH11 ARG 5 1HH1 ARG 5 -5.969 5.165 -5.078
32 HH12 ARG 5 2HH1 ARG 5 -6.069 5.117 -6.807
33 HH21 ARG 5 1HH2 ARG 5 -9.174 3.511 -6.872
34 HH22 ARG 5 2HH2 ARG 5 -7.892 4.177 -7.827
35 H LYS 6 H LYS 6 -4.649 4.567 -0.492
36 HA LYS 6 HA LYS 6 -4.346 6.478 -2.626
37 HB2 LYS 6 1HB LYS 6 -4.258 8.044 -0.818
38 HB3 LYS 6 2HB LYS 6 -3.176 7.011 0.106
39 HG2 LYS 6 1HG LYS 6 -1.340 7.567 -1.162
40 HG3 LYS 6 2HG LYS 6 -2.312 8.020 -2.563
41 HD2 LYS 6 1HD LYS 6 -2.432 9.576 0.003
42 HD3 LYS 6 2HD LYS 6 -1.194 9.896 -1.214
43 HE2 LYS 6 1HE LYS 6 -4.118 9.835 -1.898
44 HE3 LYS 6 2HE LYS 6 -3.334 11.295 -1.297
45 HZ1 LYS 6 3HZ LYS 6 -3.497 10.778 -3.852
46 HZ2 LYS 6 1HZ LYS 6 -2.087 9.894 -3.543
47 HZ3 LYS 6 2HZ LYS 6 -2.140 11.549 -3.199
48 H VAL 7 H VAL 7 -2.498 6.144 -3.816
49 HA VAL 7 HA VAL 7 -0.893 3.814 -3.018
50 HB VAL 7 HB VAL 7 -2.025 3.541 -5.148
51 HG11 VAL 7 1HG1 VAL 7 -2.317 5.210 -6.582
52 HG12 VAL 7 2HG1 VAL 7 -1.434 6.269 -5.481
53 HG13 VAL 7 3HG1 VAL 7 -0.575 5.411 -6.761
54 HG21 VAL 7 3HG2 VAL 7 0.319 2.670 -4.765
55 HG22 VAL 7 1HG2 VAL 7 -0.182 2.827 -6.449
56 HG23 VAL 7 2HG2 VAL 7 0.886 4.032 -5.731
57 H TYR 8 H TYR 8 1.302 3.907 -2.883
58 HA TYR 8 HA TYR 8 2.510 6.578 -3.165
59 HB2 TYR 8 1HB TYR 8 2.407 5.030 -0.919
60 HB3 TYR 8 2HB TYR 8 3.968 4.565 -1.585
61 HD1 TYR 8 HD2 TYR 8 5.128 6.926 -2.652
62 HD2 TYR 8 HD1 TYR 8 2.677 6.534 0.805
63 HE1 TYR 8 HE2 TYR 8 6.140 8.960 -1.711
64 HE2 TYR 8 HE1 TYR 8 3.683 8.567 1.755
65 HH TYR 8 HH TYR 8 6.492 9.965 0.549
66 H GLU 9 H GLU 9 3.221 6.483 -5.264
67 HA GLU 9 HA GLU 9 4.468 4.263 -6.462
68 HB2 GLU 9 1HB GLU 9 5.183 5.833 -8.201
69 HB3 GLU 9 2HB GLU 9 3.496 6.080 -7.773
70 HG2 GLU 9 1HG GLU 9 4.484 7.880 -6.155
71 HG3 GLU 9 2HG GLU 9 5.858 7.815 -7.258
72 H ASN 10 H ASN 10 5.705 6.916 -4.541
73 HA ASN 10 HA ASN 10 8.429 6.686 -5.120
74 HB2 ASN 10 1HB ASN 10 7.058 8.404 -3.640
75 HB3 ASN 10 2HB ASN 10 7.566 7.335 -2.335
76 HD21 ASN 10 2HD2 ASN 10 9.030 8.742 -5.250
77 HD22 ASN 10 1HD2 ASN 10 10.467 9.291 -4.466
78 H TYR 11 H TYR 11 6.338 4.685 -3.232
79 HA TYR 11 HA TYR 11 8.348 3.419 -1.660
80 HB2 TYR 11 1HB TYR 11 5.678 3.486 -1.476
81 HB3 TYR 11 2HB TYR 11 5.848 1.953 -2.324
82 HD1 TYR 11 HD2 TYR 11 7.351 3.742 0.599
83 HD2 TYR 11 HD1 TYR 11 6.022 0.047 -1.040
84 HE1 TYR 11 HE2 TYR 11 7.847 2.624 2.733
85 HE2 TYR 11 HE1 TYR 11 6.514 -1.081 1.090
86 HH TYR 11 HH TYR 11 6.696 -0.365 3.552
87 HA PRO 12 HA PRO 12 10.093 0.757 -4.717
88 HB2 PRO 12 1HB PRO 12 11.312 -0.992 -3.036
89 HB3 PRO 12 2HB PRO 12 11.924 0.638 -3.335
90 HG2 PRO 12 1HG PRO 12 10.293 -0.380 -1.042
91 HG3 PRO 12 2HG PRO 12 11.690 0.712 -1.023
92 HD2 PRO 12 1HD PRO 12 9.140 1.602 -0.823
93 HD3 PRO 12 2HD PRO 12 10.422 2.545 -1.609
94 H VAL 13 H VAL 13 9.332 -0.939 -5.831
95 HA VAL 13 HA VAL 13 7.054 -2.376 -4.945
96 HB VAL 13 HB VAL 13 8.854 -3.117 -7.251
97 HG11 VAL 13 1HG1 VAL 13 5.961 -3.682 -6.623
98 HG12 VAL 13 2HG1 VAL 13 6.711 -3.993 -8.191
99 HG13 VAL 13 3HG1 VAL 13 7.279 -4.847 -6.755
100 HG21 VAL 13 3HG2 VAL 13 8.375 -1.016 -7.946
101 HG22 VAL 13 1HG2 VAL 13 6.852 -1.768 -8.422
102 HG23 VAL 13 2HG2 VAL 13 6.958 -0.877 -6.904
103 H SER 14 H SER 14 10.384 -2.831 -4.443
104 HA SER 14 HA SER 14 10.633 -5.606 -4.361
105 HB2 SER 14 1HB SER 14 12.008 -3.573 -2.587
106 HB3 SER 14 2HB SER 14 12.547 -5.228 -2.870
107 HG SER 14 HG SER 14 13.488 -3.410 -4.182
108 H LYS 15 H LYS 15 9.172 -3.387 -2.109
109 HA LYS 15 HA LYS 15 9.000 -5.300 0.038
110 HB2 LYS 15 1HB LYS 15 7.425 -2.742 -0.209
111 HB3 LYS 15 2HB LYS 15 7.867 -3.604 1.259
112 HG2 LYS 15 1HG LYS 15 9.829 -2.258 -0.585
113 HG3 LYS 15 2HG LYS 15 9.172 -1.539 0.886
114 HD2 LYS 15 1HD LYS 15 10.310 -4.220 1.242
115 HD3 LYS 15 2HD LYS 15 11.475 -2.987 0.753
116 HE2 LYS 15 1HE LYS 15 10.126 -1.646 2.664
117 HE3 LYS 15 2HE LYS 15 9.971 -3.293 3.273
118 HZ1 LYS 15 3HZ LYS 15 12.620 -2.447 2.392
119 HZ2 LYS 15 1HZ LYS 15 12.176 -3.449 3.681
120 HZ3 LYS 15 2HZ LYS 15 12.041 -1.770 3.831
121 H CYS 16 H CYS 16 7.125 -4.448 -2.720
122 HA CYS 16 HA CYS 16 4.550 -5.119 -1.963
123 HB2 CYS 16 1HB CYS 16 5.147 -4.157 -4.158
124 HB3 CYS 16 2HB CYS 16 5.872 -5.693 -4.624
125 H GLN 17 H GLN 17 7.272 -7.194 -2.670
126 HA GLN 17 HA GLN 17 5.962 -9.620 -3.063
127 HB2 GLN 17 1HB GLN 17 8.039 -10.683 -2.568
128 HB3 GLN 17 2HB GLN 17 8.416 -9.167 -3.376
129 HG2 GLN 17 1HG GLN 17 8.632 -8.232 -0.968
130 HG3 GLN 17 2HG GLN 17 8.793 -9.928 -0.517
131 HE21 GLN 17 2HE2 GLN 17 10.821 -8.146 -0.061
132 HE22 GLN 17 1HE2 GLN 17 12.157 -8.508 -1.095
133 H LEU 18 H LEU 18 6.385 -7.752 -0.199
134 HA LEU 18 HA LEU 18 5.465 -9.999 1.461
135 HB2 LEU 18 1HB LEU 18 6.687 -7.380 2.319
136 HB3 LEU 18 2HB LEU 18 6.250 -8.720 3.376
137 HG LEU 18 HG LEU 18 8.300 -9.032 1.202
138 HD11 LEU 18 1HD1 LEU 18 8.623 -7.879 3.949
139 HD12 LEU 18 2HD1 LEU 18 9.250 -7.283 2.412
140 HD13 LEU 18 3HD1 LEU 18 9.943 -8.729 3.146
141 HD21 LEU 18 3HD2 LEU 18 8.711 -11.051 2.108
142 HD22 LEU 18 1HD2 LEU 18 7.075 -10.879 2.747
143 HD23 LEU 18 2HD2 LEU 18 8.463 -10.479 3.759
144 H ALA 19 H ALA 19 3.538 -9.925 2.475
145 HA ALA 19 HA ALA 19 1.765 -7.709 1.815
146 HB1 ALA 19 3HB ALA 19 0.184 -9.422 3.162
147 HB2 ALA 19 1HB ALA 19 0.511 -9.542 1.433
148 HB3 ALA 19 2HB ALA 19 1.419 -10.535 2.574
149 H ASN 20 H ASN 20 3.339 -9.164 4.576
150 HA ASN 20 HA ASN 20 1.825 -7.682 6.522
151 HB2 ASN 20 1HB ASN 20 3.055 -9.962 6.809
152 HB3 ASN 20 2HB ASN 20 4.481 -8.967 7.087
153 HD21 ASN 20 2HD2 ASN 20 4.872 -8.940 9.177
154 HD22 ASN 20 1HD2 ASN 20 3.706 -8.683 10.426
155 H GLN 21 H GLN 21 4.505 -7.048 4.518
156 HA GLN 21 HA GLN 21 5.708 -5.060 6.229
157 HB2 GLN 21 1HB GLN 21 7.087 -6.365 4.672
158 HB3 GLN 21 2HB GLN 21 6.193 -5.696 3.314
159 HG2 GLN 21 1HG GLN 21 7.976 -4.311 3.266
160 HG3 GLN 21 2HG GLN 21 6.979 -3.415 4.411
161 HE21 GLN 21 2HE2 GLN 21 8.149 -2.642 6.002
162 HE22 GLN 21 1HE2 GLN 21 9.466 -3.438 6.787
163 H CYS 22 H CYS 22 3.649 -5.112 3.357
164 HA CYS 22 HA CYS 22 3.622 -2.350 2.858
165 HB2 CYS 22 1HB CYS 22 2.704 -4.366 1.458
166 HB3 CYS 22 2HB CYS 22 1.211 -4.052 2.337
167 H ASN 23 H ASN 23 1.075 -4.300 4.426
168 HA ASN 23 HA ASN 23 -0.461 -2.163 5.332
169 HB2 ASN 23 1HB ASN 23 -1.736 -3.732 6.402
170 HB3 ASN 23 2HB ASN 23 -0.818 -4.812 5.355
171 HD21 ASN 23 2HD2 ASN 23 1.305 -5.552 6.338
172 HD22 ASN 23 1HD2 ASN 23 1.252 -6.029 7.998
173 H TYR 24 H TYR 24 2.430 -3.594 6.650
174 HA TYR 24 HA TYR 24 2.242 -2.514 9.260
175 HB2 TYR 24 1HB TYR 24 3.746 -4.328 8.925
176 HB3 TYR 24 2HB TYR 24 4.577 -3.491 7.618
177 HD1 TYR 24 HD1 TYR 24 3.701 -2.703 11.173
178 HD2 TYR 24 HD2 TYR 24 6.709 -2.833 8.168
179 HE1 TYR 24 HE1 TYR 24 5.341 -1.830 12.786
180 HE2 TYR 24 HE2 TYR 24 8.358 -1.962 9.772
181 HH TYR 24 HH TYR 24 7.418 -1.086 13.080
182 H ASP 25 H ASP 25 3.866 -1.395 6.311
183 HA ASP 25 HA ASP 25 4.851 0.999 7.544
184 HB2 ASP 25 1HB ASP 25 5.022 -0.290 4.914
185 HB3 ASP 25 2HB ASP 25 4.967 1.469 4.840
186 H CYS 26 H CYS 26 1.978 0.067 5.830
187 HA CYS 26 HA CYS 26 1.117 2.738 5.235
188 HB2 CYS 26 1HB CYS 26 -0.243 0.048 5.147
189 HB3 CYS 26 2HB CYS 26 -1.105 1.542 4.795
190 H LYS 27 H LYS 27 0.094 0.263 7.582
191 HA LYS 27 HA LYS 27 -1.757 1.952 8.914
192 HB2 LYS 27 1HB LYS 27 -0.396 -0.603 9.777
193 HB3 LYS 27 2HB LYS 27 -1.657 0.195 10.709
194 HG2 LYS 27 1HG LYS 27 -2.871 0.004 8.307
195 HG3 LYS 27 2HG LYS 27 -1.845 -1.431 8.269
196 HD2 LYS 27 1HD LYS 27 -3.812 -0.710 10.444
197 HD3 LYS 27 2HD LYS 27 -4.043 -1.944 9.203
198 HE2 LYS 27 1HE LYS 27 -1.919 -3.017 10.096
199 HE3 LYS 27 2HE LYS 27 -2.066 -1.924 11.471
200 HZ1 LYS 27 3HZ LYS 27 -3.097 -3.938 12.085
201 HZ2 LYS 27 1HZ LYS 27 -3.960 -4.043 10.633
202 HZ3 LYS 27 2HZ LYS 27 -4.359 -2.855 11.769
203 H LEU 28 H LEU 28 1.609 1.872 8.907
204 HA LEU 28 HA LEU 28 2.025 2.723 11.623
205 HB2 LEU 28 1HB LEU 28 3.799 1.528 10.620
206 HB3 LEU 28 2HB LEU 28 3.790 2.567 9.197
207 HG LEU 28 HG LEU 28 4.663 4.417 10.575
208 HD11 LEU 28 1HD1 LEU 28 5.440 4.034 12.817
209 HD12 LEU 28 2HD1 LEU 28 4.941 2.344 12.745
210 HD13 LEU 28 3HD1 LEU 28 3.727 3.624 12.726
211 HD21 LEU 28 3HD2 LEU 28 6.919 3.566 10.783
212 HD22 LEU 28 1HD2 LEU 28 6.172 2.928 9.318
213 HD23 LEU 28 2HD2 LEU 28 6.325 1.905 10.746
214 H ASP 29 H ASP 29 2.621 4.338 8.496
215 HA ASP 29 HA ASP 29 2.409 6.927 9.828
216 HB2 ASP 29 1HB ASP 29 3.566 5.956 7.260
217 HB3 ASP 29 2HB ASP 29 2.991 7.621 7.317
218 H LYS 30 H LYS 30 1.037 5.260 6.998
219 HA LYS 30 HA LYS 30 -0.925 7.260 6.498
220 HB2 LYS 30 1HB LYS 30 -0.179 4.652 5.390
221 HB3 LYS 30 2HB LYS 30 -1.909 4.968 5.331
222 HG2 LYS 30 1HG LYS 30 -0.046 7.089 4.397
223 HG3 LYS 30 2HG LYS 30 -0.318 5.681 3.368
224 HD2 LYS 30 1HD LYS 30 -2.005 7.013 2.610
225 HD3 LYS 30 2HD LYS 30 -2.852 6.227 3.944
226 HE2 LYS 30 1HE LYS 30 -2.749 8.102 5.286
227 HE3 LYS 30 2HE LYS 30 -1.350 8.759 4.439
228 HZ1 LYS 30 3HZ LYS 30 -3.519 8.561 2.654
229 HZ2 LYS 30 1HZ LYS 30 -2.692 9.945 3.164
230 HZ3 LYS 30 2HZ LYS 30 -4.025 9.387 4.040
231 H HIS 31 H HIS 31 -0.667 4.917 8.882
232 HA HIS 31 HA HIS 31 -2.105 4.004 10.399
233 HB2 HIS 31 1HB HIS 31 -2.440 6.644 10.498
234 HB3 HIS 31 2HB HIS 31 -4.060 6.210 9.961
235 HD1 HIS 31 HD1 HIS 31 -5.271 6.731 12.119
236 HD2 HIS 31 HD2 HIS 31 -2.100 4.096 12.632
237 HE1 HIS 31 HE1 HIS 31 -5.486 5.872 14.472
238 H ALA 32 H ALA 32 -2.506 3.378 7.521
239 HA ALA 32 HA ALA 32 -5.234 3.188 6.889
240 HB1 ALA 32 3HB ALA 32 -4.479 2.298 4.991
241 HB2 ALA 32 1HB ALA 32 -2.856 2.543 5.640
242 HB3 ALA 32 2HB ALA 32 -3.661 0.985 5.840
243 H ARG 33 H ARG 33 -5.690 0.515 6.285
244 HA ARG 33 HA ARG 33 -5.667 -0.834 8.894
245 HB2 ARG 33 1HB ARG 33 -7.876 0.375 8.288
246 HB3 ARG 33 2HB ARG 33 -8.090 -0.920 7.119
247 HG2 ARG 33 1HG ARG 33 -7.820 -2.538 9.028
248 HG3 ARG 33 2HG ARG 33 -7.916 -1.145 10.109
249 HD2 ARG 33 1HD ARG 33 -10.029 -1.438 8.048
250 HD3 ARG 33 2HD ARG 33 -10.057 -2.558 9.410
251 HE ARG 33 HE ARG 33 -10.807 0.176 9.451
252 HH11 ARG 33 1HH1 ARG 33 -9.268 -2.294 11.362
253 HH12 ARG 33 2HH1 ARG 33 -9.697 -1.571 12.878
254 HH21 ARG 33 1HH2 ARG 33 -11.378 1.137 11.439
255 HH22 ARG 33 2HH2 ARG 33 -10.898 0.380 12.920
256 H SER 34 H SER 34 -6.123 -1.104 5.400
257 HA SER 34 HA SER 34 -5.147 -3.879 5.571
258 HB2 SER 34 1HB SER 34 -7.140 -2.869 3.531
259 HB3 SER 34 2HB SER 34 -6.617 -4.535 3.779
260 HG SER 34 HG SER 34 -8.590 -4.250 4.791
261 H GLY 35 H GLY 35 -3.511 -1.607 5.234
262 HA2 GLY 35 1HA GLY 35 -2.905 -0.826 2.657
263 HA3 GLY 35 2HA GLY 35 -1.718 -0.975 3.943
264 H GLU 36 H GLU 36 -2.430 -1.941 0.895
265 HA GLU 36 HA GLU 36 -0.497 -4.103 1.030
266 HB2 GLU 36 1HB GLU 36 -2.931 -4.991 1.323
267 HB3 GLU 36 2HB GLU 36 -3.071 -4.675 -0.401
268 HG2 GLU 36 1HG GLU 36 -1.405 -6.246 -0.931
269 HG3 GLU 36 2HG GLU 36 -0.865 -6.356 0.744
270 H CYS 37 H CYS 37 0.023 -4.917 -1.220
271 HA CYS 37 HA CYS 37 0.047 -2.618 -3.049
272 HB2 CYS 37 1HB CYS 37 2.050 -3.487 -3.984
273 HB3 CYS 37 2HB CYS 37 2.224 -3.637 -2.239
274 H PHE 38 H PHE 38 -0.308 -2.932 -5.295
275 HA PHE 38 HA PHE 38 -1.160 -5.420 -6.373
276 HB2 PHE 38 1HB PHE 38 -3.122 -4.226 -4.889
277 HB3 PHE 38 2HB PHE 38 -3.456 -3.585 -6.493
278 HD1 PHE 38 HD2 PHE 38 -2.387 -6.901 -5.150
279 HD2 PHE 38 HD1 PHE 38 -5.136 -4.715 -7.554
280 HE1 PHE 38 HE2 PHE 38 -3.529 -8.998 -5.746
281 HE2 PHE 38 HE1 PHE 38 -6.283 -6.808 -8.152
282 HZ PHE 38 HZ PHE 38 -5.478 -8.953 -7.249
283 H TYR 39 H TYR 39 -1.859 -5.226 -8.626
284 HA TYR 39 HA TYR 39 -0.276 -3.375 -10.050
285 HB2 TYR 39 1HB TYR 39 -1.222 -4.341 -12.045
286 HB3 TYR 39 2HB TYR 39 -0.943 -5.634 -10.883
287 HD1 TYR 39 HD2 TYR 39 -3.501 -3.612 -12.578
288 HD2 TYR 39 HD1 TYR 39 -2.786 -6.849 -9.911
289 HE1 TYR 39 HE2 TYR 39 -5.850 -4.303 -12.797
290 HE2 TYR 39 HE1 TYR 39 -5.133 -7.550 -10.124
291 HH TYR 39 HH TYR 39 -7.521 -5.603 -11.438
292 H ASP 40 H ASP 40 -0.767 -1.514 -11.129
293 HA ASP 40 HA ASP 40 -3.359 -0.301 -10.470
294 HB2 ASP 40 1HB ASP 40 -2.174 1.849 -11.135
295 HB3 ASP 40 2HB ASP 40 -1.578 1.055 -9.679
296 H GLU 41 H GLU 41 -3.778 1.565 -12.266
297 HA GLU 41 HA GLU 41 -4.696 0.186 -14.537
298 HB2 GLU 41 1HB GLU 41 -5.371 2.342 -15.386
299 HB3 GLU 41 2HB GLU 41 -5.695 2.282 -13.659
300 HG2 GLU 41 1HG GLU 41 -3.328 3.397 -13.496
301 HG3 GLU 41 2HG GLU 41 -3.678 3.872 -15.158
302 H LYS 42 H LYS 42 -1.657 1.595 -13.802
303 HA LYS 42 HA LYS 42 -0.845 1.698 -16.607
304 HB2 LYS 42 1HB LYS 42 0.627 2.480 -14.084
305 HB3 LYS 42 2HB LYS 42 1.260 2.663 -15.715
306 HG2 LYS 42 1HG LYS 42 -0.661 4.154 -16.228
307 HG3 LYS 42 2HG LYS 42 -1.127 4.059 -14.528
308 HD2 LYS 42 1HD LYS 42 0.131 5.968 -14.483
309 HD3 LYS 42 2HD LYS 42 1.389 4.773 -14.161
310 HE2 LYS 42 1HE LYS 42 2.215 4.884 -16.345
311 HE3 LYS 42 2HE LYS 42 0.744 5.637 -16.959
312 HZ1 LYS 42 3HZ LYS 42 3.033 6.933 -16.245
313 HZ2 LYS 42 1HZ LYS 42 2.003 7.210 -14.932
314 HZ3 LYS 42 2HZ LYS 42 1.522 7.650 -16.492
315 H ARG 43 H ARG 43 -1.398 -0.814 -15.042
316 HA ARG 43 HA ARG 43 -0.524 -2.898 -14.743
317 HB2 ARG 43 1HB ARG 43 1.041 -1.890 -17.113
318 HB3 ARG 43 2HB ARG 43 1.230 -3.528 -16.500
319 HG2 ARG 43 1HG ARG 43 -0.324 -3.856 -18.143
320 HG3 ARG 43 2HG ARG 43 -1.373 -3.599 -16.747
321 HD2 ARG 43 1HD ARG 43 -1.636 -1.251 -17.375
322 HD3 ARG 43 2HD ARG 43 -0.576 -1.501 -18.762
323 HE ARG 43 HE ARG 43 -2.805 -3.283 -18.769
324 HH11 ARG 43 1HH1 ARG 43 -1.799 -0.039 -19.527
325 HH12 ARG 43 2HH1 ARG 43 -3.024 0.201 -20.728
326 HH21 ARG 43 1HH2 ARG 43 -4.423 -2.980 -20.349
327 HH22 ARG 43 2HH2 ARG 43 -4.516 -1.472 -21.194
328 H ASN 44 H ASN 44 0.641 -0.723 -13.179
329 HA ASN 44 HA ASN 44 3.369 -1.761 -12.784
330 HB2 ASN 44 1HB ASN 44 2.153 0.945 -12.442
331 HB3 ASN 44 2HB ASN 44 3.473 0.485 -11.370
332 HD21 ASN 44 2HD2 ASN 44 2.699 1.869 -14.272
333 HD22 ASN 44 1HD2 ASN 44 4.235 1.749 -15.055
334 H LEU 45 H LEU 45 4.090 -2.223 -10.682
335 HA LEU 45 HA LEU 45 1.923 -2.856 -8.811
336 HB2 LEU 45 1HB LEU 45 4.772 -3.804 -8.668
337 HB3 LEU 45 2HB LEU 45 3.366 -4.468 -7.839
338 HG LEU 45 HG LEU 45 3.674 -4.551 -10.832
339 HD11 LEU 45 1HD1 LEU 45 5.575 -5.713 -9.926
340 HD12 LEU 45 2HD1 LEU 45 4.407 -6.894 -10.518
341 HD13 LEU 45 3HD1 LEU 45 4.549 -6.585 -8.787
342 HD21 LEU 45 3HD2 LEU 45 1.474 -5.020 -10.417
343 HD22 LEU 45 1HD2 LEU 45 1.802 -5.693 -8.820
344 HD23 LEU 45 2HD2 LEU 45 2.167 -6.635 -10.266
345 H GLN 46 H GLN 46 1.635 -1.640 -7.072
346 HA GLN 46 HA GLN 46 3.935 -0.378 -5.788
347 HB2 GLN 46 1HB GLN 46 1.439 1.214 -6.348
348 HB3 GLN 46 2HB GLN 46 2.983 1.797 -5.743
349 HG2 GLN 46 1HG GLN 46 3.958 1.066 -7.971
350 HG3 GLN 46 2HG GLN 46 2.291 0.901 -8.519
351 HE21 GLN 46 2HE2 GLN 46 4.587 2.764 -9.176
352 HE22 GLN 46 1HE2 GLN 46 3.887 4.341 -9.081
353 H CYS 47 H CYS 47 3.320 0.578 -3.642
354 HA CYS 47 HA CYS 47 1.501 -1.268 -2.296
355 HB2 CYS 47 1HB CYS 47 3.971 0.026 -1.606
356 HB3 CYS 47 2HB CYS 47 2.739 0.452 -0.422
357 H ILE 48 H ILE 48 -0.546 -0.633 -2.152
358 HA ILE 48 HA ILE 48 -1.144 2.223 -1.840
359 HB ILE 48 HB ILE 48 -3.049 -0.032 -2.475
360 HG12 ILE 48 1HG1 ILE 48 -2.923 1.509 -4.721
361 HG13 ILE 48 2HG1 ILE 48 -1.259 1.600 -4.157
362 HG21 ILE 48 1HG2 ILE 48 -4.631 1.699 -3.029
363 HG22 ILE 48 2HG2 ILE 48 -4.046 1.955 -1.385
364 HG23 ILE 48 3HG2 ILE 48 -3.430 2.950 -2.706
365 HD11 ILE 48 3HD1 ILE 48 -0.879 -0.359 -5.098
366 HD12 ILE 48 1HD1 ILE 48 -2.021 -1.098 -3.977
367 HD13 ILE 48 2HD1 ILE 48 -2.579 -0.510 -5.542
368 H CYS 49 H CYS 49 -2.164 3.032 -0.079
369 HA CYS 49 HA CYS 49 -2.706 1.144 2.117
370 HB2 CYS 49 1HB CYS 49 -2.122 4.089 2.422
371 HB3 CYS 49 2HB CYS 49 -2.109 2.848 3.672
372 H ASP 50 H ASP 50 -4.693 1.054 2.967
373 HA ASP 50 HA ASP 50 -6.635 3.114 2.145
374 HB2 ASP 50 1HB ASP 50 -6.954 0.855 1.074
375 HB3 ASP 50 2HB ASP 50 -7.268 0.209 2.682
376 H TYR 51 H TYR 51 -7.458 4.244 3.767
377 HA TYR 51 HA TYR 51 -7.423 3.056 6.464
378 HB2 TYR 51 1HB TYR 51 -5.947 4.977 6.315
379 HB3 TYR 51 2HB TYR 51 -7.238 5.958 5.630
380 HD1 TYR 51 HD2 TYR 51 -7.311 3.626 8.536
381 HD2 TYR 51 HD1 TYR 51 -7.615 7.648 7.184
382 HE1 TYR 51 HE2 TYR 51 -7.968 4.330 10.800
383 HE2 TYR 51 HE1 TYR 51 -8.271 8.364 9.443
384 HH TYR 51 HH TYR 51 -8.668 7.737 11.531
385 H CYS 52 H CYS 52 -9.373 2.418 7.079
386 HA CYS 52 HA CYS 52 -11.689 4.092 6.359
387 HB2 CYS 52 1HB CYS 52 -11.535 1.790 5.255
388 HB3 CYS 52 2HB CYS 52 -11.832 1.123 6.856
389 H GLU 53 H GLU 53 -13.166 4.560 7.941
390 HA GLU 53 HA GLU 53 -12.492 3.634 10.657
391 HB2 GLU 53 1HB GLU 53 -13.369 6.323 9.649
392 HB3 GLU 53 2HB GLU 53 -13.661 5.857 11.319
393 HG2 GLU 53 1HG GLU 53 -11.264 5.494 11.634
394 HG3 GLU 53 2HG GLU 53 -10.976 5.979 9.964
395 H TYR 54 H TYR 54 -13.946 2.157 11.240
396 HA TYR 54 HA TYR 54 -16.480 1.789 10.162
397 HB2 TYR 54 1HB TYR 54 -15.195 0.133 11.544
398 HB3 TYR 54 2HB TYR 54 -15.646 1.055 12.974
399 HD1 TYR 54 HD1 TYR 54 -17.061 -0.860 10.123
400 HD2 TYR 54 HD2 TYR 54 -17.703 0.679 14.037
401 HE1 TYR 54 HE1 TYR 54 -19.161 -2.133 10.272
402 HE2 TYR 54 HE2 TYR 54 -19.803 -0.591 14.198
403 HH TYR 54 HH TYR 54 -20.979 -2.551 11.481
Start of MODEL 8
1 H1 ASP 2 H ASP 2 -18.081 3.569 2.938
2 HA ASP 2 HA ASP 2 -16.600 5.357 1.206
3 HB2 ASP 2 1HB ASP 2 -17.903 5.908 3.881
4 HB3 ASP 2 2HB ASP 2 -17.310 7.115 2.742
5 H CYS 3 H CYS 3 -14.460 4.768 1.312
6 HA CYS 3 HA CYS 3 -13.141 5.294 3.884
7 HB2 CYS 3 1HB CYS 3 -12.200 3.121 2.020
8 HB3 CYS 3 2HB CYS 3 -11.716 3.413 3.688
9 H LYS 4 H LYS 4 -10.670 5.482 3.493
10 HA LYS 4 HA LYS 4 -10.260 7.090 1.058
11 HB2 LYS 4 1HB LYS 4 -10.110 8.631 2.801
12 HB3 LYS 4 2HB LYS 4 -9.338 7.481 3.884
13 HG2 LYS 4 1HG LYS 4 -7.272 7.946 3.121
14 HG3 LYS 4 2HG LYS 4 -7.818 8.166 1.457
15 HD2 LYS 4 1HD LYS 4 -8.434 10.159 3.622
16 HD3 LYS 4 2HD LYS 4 -6.943 10.228 2.680
17 HE2 LYS 4 1HE LYS 4 -9.664 10.139 1.402
18 HE3 LYS 4 2HE LYS 4 -8.888 11.652 1.868
19 HZ1 LYS 4 3HZ LYS 4 -6.928 10.523 0.489
20 HZ2 LYS 4 1HZ LYS 4 -8.099 11.515 -0.224
21 HZ3 LYS 4 2HZ LYS 4 -8.250 9.833 -0.309
22 H ARG 5 H ARG 5 -8.918 6.191 -0.347
23 HA ARG 5 HA ARG 5 -6.702 4.543 0.681
24 HB2 ARG 5 1HB ARG 5 -6.908 3.183 -1.396
25 HB3 ARG 5 2HB ARG 5 -8.304 3.061 -0.334
26 HG2 ARG 5 1HG ARG 5 -9.399 3.336 -2.291
27 HG3 ARG 5 2HG ARG 5 -9.159 5.039 -1.898
28 HD2 ARG 5 1HD ARG 5 -8.565 4.577 -4.219
29 HD3 ARG 5 2HD ARG 5 -7.155 5.083 -3.290
30 HE ARG 5 HE ARG 5 -7.093 2.365 -3.159
31 HH11 ARG 5 1HH1 ARG 5 -7.235 4.683 -5.753
32 HH12 ARG 5 2HH1 ARG 5 -6.379 3.677 -6.874
33 HH21 ARG 5 1HH2 ARG 5 -5.965 1.031 -4.625
34 HH22 ARG 5 2HH2 ARG 5 -5.657 1.600 -6.231
35 H LYS 6 H LYS 6 -4.737 4.645 -0.446
36 HA LYS 6 HA LYS 6 -4.448 6.406 -2.714
37 HB2 LYS 6 1HB LYS 6 -4.445 8.014 -0.866
38 HB3 LYS 6 2HB LYS 6 -3.166 7.109 -0.067
39 HG2 LYS 6 1HG LYS 6 -1.554 7.962 -1.384
40 HG3 LYS 6 2HG LYS 6 -2.581 7.966 -2.820
41 HD2 LYS 6 1HD LYS 6 -2.055 10.241 -2.202
42 HD3 LYS 6 2HD LYS 6 -3.770 9.939 -1.916
43 HE2 LYS 6 1HE LYS 6 -3.280 9.558 0.467
44 HE3 LYS 6 2HE LYS 6 -1.581 9.918 0.161
45 HZ1 LYS 6 3HZ LYS 6 -3.461 11.724 0.887
46 HZ2 LYS 6 1HZ LYS 6 -3.371 11.956 -0.786
47 HZ3 LYS 6 2HZ LYS 6 -1.979 12.098 0.162
48 H VAL 7 H VAL 7 -2.523 6.102 -3.824
49 HA VAL 7 HA VAL 7 -0.998 3.744 -2.989
50 HB VAL 7 HB VAL 7 -1.901 3.615 -5.225
51 HG11 VAL 7 1HG1 VAL 7 -0.350 5.574 -6.600
52 HG12 VAL 7 2HG1 VAL 7 -2.105 5.397 -6.532
53 HG13 VAL 7 3HG1 VAL 7 -1.268 6.366 -5.319
54 HG21 VAL 7 3HG2 VAL 7 0.641 3.037 -4.562
55 HG22 VAL 7 1HG2 VAL 7 -0.053 2.697 -6.147
56 HG23 VAL 7 2HG2 VAL 7 0.922 4.147 -5.904
57 H TYR 8 H TYR 8 1.184 3.763 -2.663
58 HA TYR 8 HA TYR 8 2.469 6.414 -2.643
59 HB2 TYR 8 1HB TYR 8 2.089 4.875 -0.486
60 HB3 TYR 8 2HB TYR 8 3.606 4.178 -1.043
61 HD1 TYR 8 HD1 TYR 8 2.250 7.660 -0.823
62 HD2 TYR 8 HD2 TYR 8 5.404 4.975 0.151
63 HE1 TYR 8 HE1 TYR 8 3.482 9.503 0.241
64 HE2 TYR 8 HE2 TYR 8 6.644 6.811 1.220
65 HH TYR 8 HH TYR 8 5.295 9.677 2.093
66 H GLU 9 H GLU 9 3.128 6.200 -4.836
67 HA GLU 9 HA GLU 9 4.629 4.037 -5.833
68 HB2 GLU 9 1HB GLU 9 5.181 5.475 -7.690
69 HB3 GLU 9 2HB GLU 9 3.502 5.740 -7.245
70 HG2 GLU 9 1HG GLU 9 4.273 7.733 -5.926
71 HG3 GLU 9 2HG GLU 9 5.857 7.513 -6.668
72 H ASN 10 H ASN 10 5.450 6.531 -3.671
73 HA ASN 10 HA ASN 10 8.182 6.878 -4.236
74 HB2 ASN 10 1HB ASN 10 6.350 7.519 -2.042
75 HB3 ASN 10 2HB ASN 10 7.998 7.208 -1.504
76 HD21 ASN 10 2HD2 ASN 10 9.595 8.230 -3.298
77 HD22 ASN 10 1HD2 ASN 10 9.311 9.916 -3.547
78 H TYR 11 H TYR 11 6.442 4.362 -2.585
79 HA TYR 11 HA TYR 11 8.760 3.221 -1.324
80 HB2 TYR 11 1HB TYR 11 5.940 2.874 -1.164
81 HB3 TYR 11 2HB TYR 11 6.649 1.311 -1.556
82 HD1 TYR 11 HD2 TYR 11 7.847 4.120 0.599
83 HD2 TYR 11 HD1 TYR 11 6.695 0.031 0.368
84 HE1 TYR 11 HE2 TYR 11 8.470 3.817 2.959
85 HE2 TYR 11 HE1 TYR 11 7.312 -0.283 2.728
86 HH TYR 11 HH TYR 11 8.825 0.793 4.393
87 HA PRO 12 HA PRO 12 10.282 0.785 -4.650
88 HB2 PRO 12 1HB PRO 12 11.401 -1.263 -3.264
89 HB3 PRO 12 2HB PRO 12 12.105 0.357 -3.319
90 HG2 PRO 12 1HG PRO 12 10.418 -0.904 -1.191
91 HG3 PRO 12 2HG PRO 12 11.875 0.093 -1.020
92 HD2 PRO 12 1HD PRO 12 9.381 1.084 -0.664
93 HD3 PRO 12 2HD PRO 12 10.714 2.063 -1.311
94 H VAL 13 H VAL 13 9.602 -0.831 -5.966
95 HA VAL 13 HA VAL 13 7.159 -2.153 -5.394
96 HB VAL 13 HB VAL 13 9.123 -2.735 -7.615
97 HG11 VAL 13 1HG1 VAL 13 6.827 -3.395 -8.704
98 HG12 VAL 13 2HG1 VAL 13 7.706 -4.539 -7.688
99 HG13 VAL 13 3HG1 VAL 13 6.345 -3.634 -7.025
100 HG21 VAL 13 3HG2 VAL 13 8.613 -0.563 -8.084
101 HG22 VAL 13 1HG2 VAL 13 7.221 -1.343 -8.837
102 HG23 VAL 13 2HG2 VAL 13 7.070 -0.625 -7.233
103 H SER 14 H SER 14 10.426 -2.927 -4.757
104 HA SER 14 HA SER 14 10.306 -5.744 -4.816
105 HB2 SER 14 1HB SER 14 12.097 -3.739 -3.491
106 HB3 SER 14 2HB SER 14 12.229 -5.442 -3.049
107 HG SER 14 HG SER 14 13.299 -4.261 -5.125
108 H LYS 15 H LYS 15 9.320 -3.381 -2.450
109 HA LYS 15 HA LYS 15 9.064 -5.181 -0.258
110 HB2 LYS 15 1HB LYS 15 8.319 -2.378 -0.840
111 HB3 LYS 15 2HB LYS 15 7.347 -3.191 0.379
112 HG2 LYS 15 1HG LYS 15 9.246 -1.931 1.321
113 HG3 LYS 15 2HG LYS 15 9.294 -3.653 1.705
114 HD2 LYS 15 1HD LYS 15 11.164 -4.009 0.480
115 HD3 LYS 15 2HD LYS 15 10.706 -2.834 -0.755
116 HE2 LYS 15 1HE LYS 15 12.505 -1.781 0.218
117 HE3 LYS 15 2HE LYS 15 11.169 -1.098 1.143
118 HZ1 LYS 15 3HZ LYS 15 13.343 -2.707 2.038
119 HZ2 LYS 15 1HZ LYS 15 11.858 -3.384 2.486
120 HZ3 LYS 15 2HZ LYS 15 12.238 -1.799 2.941
121 H CYS 16 H CYS 16 7.056 -4.334 -2.956
122 HA CYS 16 HA CYS 16 4.527 -4.990 -2.056
123 HB2 CYS 16 1HB CYS 16 4.898 -4.035 -4.259
124 HB3 CYS 16 2HB CYS 16 5.750 -5.487 -4.777
125 H GLN 17 H GLN 17 7.189 -7.085 -2.905
126 HA GLN 17 HA GLN 17 5.857 -9.505 -3.234
127 HB2 GLN 17 1HB GLN 17 8.545 -9.137 -1.904
128 HB3 GLN 17 2HB GLN 17 7.958 -10.581 -2.718
129 HG2 GLN 17 1HG GLN 17 7.890 -9.311 -4.836
130 HG3 GLN 17 2HG GLN 17 8.595 -7.931 -3.992
131 HE21 GLN 17 2HE2 GLN 17 9.161 -11.018 -5.401
132 HE22 GLN 17 1HE2 GLN 17 10.879 -11.029 -5.221
133 H LEU 18 H LEU 18 6.453 -7.657 -0.372
134 HA LEU 18 HA LEU 18 5.589 -9.892 1.324
135 HB2 LEU 18 1HB LEU 18 6.797 -7.239 2.092
136 HB3 LEU 18 2HB LEU 18 6.384 -8.544 3.204
137 HG LEU 18 HG LEU 18 8.402 -8.897 1.003
138 HD11 LEU 18 1HD1 LEU 18 10.050 -8.595 2.963
139 HD12 LEU 18 2HD1 LEU 18 8.736 -7.697 3.723
140 HD13 LEU 18 3HD1 LEU 18 9.392 -7.159 2.176
141 HD21 LEU 18 3HD2 LEU 18 8.454 -10.318 3.609
142 HD22 LEU 18 1HD2 LEU 18 8.924 -10.876 2.004
143 HD23 LEU 18 2HD2 LEU 18 7.218 -10.779 2.439
144 H ALA 19 H ALA 19 3.713 -9.838 2.446
145 HA ALA 19 HA ALA 19 1.842 -7.707 1.784
146 HB1 ALA 19 3HB ALA 19 0.653 -9.611 1.534
147 HB2 ALA 19 1HB ALA 19 1.624 -10.502 2.709
148 HB3 ALA 19 2HB ALA 19 0.368 -9.393 3.261
149 H ASN 20 H ASN 20 3.376 -9.159 4.616
150 HA ASN 20 HA ASN 20 1.974 -7.567 6.519
151 HB2 ASN 20 1HB ASN 20 3.108 -9.782 6.981
152 HB3 ASN 20 2HB ASN 20 4.645 -8.924 6.914
153 HD21 ASN 20 2HD2 ASN 20 1.708 -9.416 8.692
154 HD22 ASN 20 1HD2 ASN 20 2.218 -8.639 10.148
155 H GLN 21 H GLN 21 4.641 -7.004 4.449
156 HA GLN 21 HA GLN 21 5.881 -4.952 6.028
157 HB2 GLN 21 1HB GLN 21 7.186 -6.229 4.409
158 HB3 GLN 21 2HB GLN 21 6.170 -5.642 3.099
159 HG2 GLN 21 1HG GLN 21 7.696 -4.055 2.825
160 HG3 GLN 21 2HG GLN 21 7.032 -3.324 4.285
161 HE21 GLN 21 2HE2 GLN 21 8.059 -3.797 6.303
162 HE22 GLN 21 1HE2 GLN 21 9.736 -4.211 6.348
163 H CYS 22 H CYS 22 3.683 -5.029 3.251
164 HA CYS 22 HA CYS 22 3.575 -2.263 2.793
165 HB2 CYS 22 1HB CYS 22 2.175 -4.624 1.884
166 HB3 CYS 22 2HB CYS 22 1.050 -3.292 2.131
167 H ASN 23 H ASN 23 1.110 -4.285 4.400
168 HA ASN 23 HA ASN 23 -0.454 -2.224 5.390
169 HB2 ASN 23 1HB ASN 23 -1.576 -3.830 6.609
170 HB3 ASN 23 2HB ASN 23 -0.762 -4.843 5.420
171 HD21 ASN 23 2HD2 ASN 23 -1.399 -4.443 8.630
172 HD22 ASN 23 1HD2 ASN 23 -0.144 -5.427 9.292
173 H TYR 24 H TYR 24 2.546 -3.529 6.602
174 HA TYR 24 HA TYR 24 2.424 -2.429 9.206
175 HB2 TYR 24 1HB TYR 24 3.987 -4.184 8.814
176 HB3 TYR 24 2HB TYR 24 4.732 -3.317 7.476
177 HD1 TYR 24 HD1 TYR 24 4.404 -3.475 11.142
178 HD2 TYR 24 HD2 TYR 24 6.408 -1.650 7.861
179 HE1 TYR 24 HE1 TYR 24 6.066 -2.530 12.690
180 HE2 TYR 24 HE2 TYR 24 8.077 -0.702 9.400
181 HH TYR 24 HH TYR 24 8.784 -0.577 11.500
182 H ASP 25 H ASP 25 4.019 -1.302 6.230
183 HA ASP 25 HA ASP 25 4.912 1.146 7.386
184 HB2 ASP 25 1HB ASP 25 6.176 0.430 5.543
185 HB3 ASP 25 2HB ASP 25 4.743 0.089 4.576
186 H CYS 26 H CYS 26 2.015 0.117 5.748
187 HA CYS 26 HA CYS 26 1.034 2.744 5.187
188 HB2 CYS 26 1HB CYS 26 -0.249 0.015 5.214
189 HB3 CYS 26 2HB CYS 26 -1.167 1.478 4.873
190 H LYS 27 H LYS 27 0.127 0.270 7.588
191 HA LYS 27 HA LYS 27 -1.679 1.937 8.991
192 HB2 LYS 27 1HB LYS 27 -0.218 -0.573 9.818
193 HB3 LYS 27 2HB LYS 27 -1.444 0.210 10.807
194 HG2 LYS 27 1HG LYS 27 -2.766 -0.040 8.458
195 HG3 LYS 27 2HG LYS 27 -1.728 -1.467 8.418
196 HD2 LYS 27 1HD LYS 27 -3.604 -0.701 10.655
197 HD3 LYS 27 2HD LYS 27 -3.880 -1.970 9.458
198 HE2 LYS 27 1HE LYS 27 -1.709 -3.003 10.282
199 HE3 LYS 27 2HE LYS 27 -1.808 -1.877 11.636
200 HZ1 LYS 27 3HZ LYS 27 -4.182 -2.858 11.865
201 HZ2 LYS 27 1HZ LYS 27 -2.858 -3.716 12.474
202 HZ3 LYS 27 2HZ LYS 27 -3.544 -4.159 10.993
203 H LEU 28 H LEU 28 1.679 1.958 8.824
204 HA LEU 28 HA LEU 28 2.200 2.851 11.510
205 HB2 LEU 28 1HB LEU 28 3.910 1.655 10.294
206 HB3 LEU 28 2HB LEU 28 3.895 2.871 9.018
207 HG LEU 28 HG LEU 28 5.810 2.862 10.767
208 HD11 LEU 28 1HD1 LEU 28 4.576 5.551 10.482
209 HD12 LEU 28 2HD1 LEU 28 5.005 4.662 9.021
210 HD13 LEU 28 3HD1 LEU 28 6.243 5.035 10.221
211 HD21 LEU 28 3HD2 LEU 28 3.910 2.919 12.600
212 HD22 LEU 28 1HD2 LEU 28 4.027 4.657 12.328
213 HD23 LEU 28 2HD2 LEU 28 5.449 3.747 12.841
214 H ASP 29 H ASP 29 2.588 4.449 8.341
215 HA ASP 29 HA ASP 29 2.359 7.046 9.660
216 HB2 ASP 29 1HB ASP 29 4.156 6.435 7.908
217 HB3 ASP 29 2HB ASP 29 2.865 6.623 6.725
218 H LYS 30 H LYS 30 0.926 5.332 6.885
219 HA LYS 30 HA LYS 30 -1.132 7.257 6.491
220 HB2 LYS 30 1HB LYS 30 -1.225 4.387 5.579
221 HB3 LYS 30 2HB LYS 30 -1.989 5.787 4.837
222 HG2 LYS 30 1HG LYS 30 0.765 6.331 4.887
223 HG3 LYS 30 2HG LYS 30 0.592 4.659 4.346
224 HD2 LYS 30 1HD LYS 30 0.493 5.942 2.381
225 HD3 LYS 30 2HD LYS 30 -1.188 5.541 2.743
226 HE2 LYS 30 1HE LYS 30 -0.977 7.856 4.085
227 HE3 LYS 30 2HE LYS 30 0.208 8.148 2.813
228 HZ1 LYS 30 3HZ LYS 30 -2.271 8.762 2.445
229 HZ2 LYS 30 1HZ LYS 30 -2.449 7.117 2.095
230 HZ3 LYS 30 2HZ LYS 30 -1.384 8.064 1.184
231 H HIS 31 H HIS 31 -0.679 4.912 8.838
232 HA HIS 31 HA HIS 31 -2.017 3.911 10.392
233 HB2 HIS 31 1HB HIS 31 -3.400 6.531 9.877
234 HB3 HIS 31 2HB HIS 31 -4.040 5.386 11.052
235 HD1 HIS 31 HD1 HIS 31 -1.011 4.561 11.949
236 HD2 HIS 31 HD2 HIS 31 -2.745 8.336 11.931
237 HE1 HIS 31 HE1 HIS 31 0.297 5.908 13.621
238 H ALA 32 H ALA 32 -2.509 3.278 7.549
239 HA ALA 32 HA ALA 32 -5.248 3.025 6.999
240 HB1 ALA 32 3HB ALA 32 -2.888 2.413 5.689
241 HB2 ALA 32 1HB ALA 32 -3.671 0.848 5.911
242 HB3 ALA 32 2HB ALA 32 -4.524 2.151 5.083
243 H ARG 33 H ARG 33 -5.678 0.348 6.422
244 HA ARG 33 HA ARG 33 -5.560 -0.983 9.040
245 HB2 ARG 33 1HB ARG 33 -7.811 0.166 8.442
246 HB3 ARG 33 2HB ARG 33 -8.009 -1.168 7.314
247 HG2 ARG 33 1HG ARG 33 -7.866 -2.765 9.131
248 HG3 ARG 33 2HG ARG 33 -7.581 -1.455 10.280
249 HD2 ARG 33 1HD ARG 33 -9.802 -0.501 9.555
250 HD3 ARG 33 2HD ARG 33 -10.076 -2.013 8.692
251 HE ARG 33 HE ARG 33 -10.269 -1.580 11.516
252 HH11 ARG 33 1HH1 ARG 33 -9.615 -3.945 9.047
253 HH12 ARG 33 2HH1 ARG 33 -10.077 -5.293 10.033
254 HH21 ARG 33 1HH2 ARG 33 -10.880 -3.345 12.824
255 HH22 ARG 33 2HH2 ARG 33 -10.797 -4.950 12.181
256 H SER 34 H SER 34 -6.035 -1.290 5.556
257 HA SER 34 HA SER 34 -4.967 -4.028 5.732
258 HB2 SER 34 1HB SER 34 -7.449 -3.962 5.256
259 HB3 SER 34 2HB SER 34 -7.065 -3.153 3.737
260 HG SER 34 HG SER 34 -7.111 -5.728 4.181
261 H GLY 35 H GLY 35 -3.446 -1.694 5.297
262 HA2 GLY 35 1HA GLY 35 -2.975 -0.918 2.695
263 HA3 GLY 35 2HA GLY 35 -1.727 -1.016 3.930
264 H GLU 36 H GLU 36 -2.496 -2.002 0.916
265 HA GLU 36 HA GLU 36 -0.522 -4.133 1.005
266 HB2 GLU 36 1HB GLU 36 -2.996 -5.004 1.279
267 HB3 GLU 36 2HB GLU 36 -3.053 -4.750 -0.460
268 HG2 GLU 36 1HG GLU 36 -1.454 -6.373 -0.881
269 HG3 GLU 36 2HG GLU 36 -0.836 -6.333 0.769
270 H CYS 37 H CYS 37 -0.029 -4.920 -1.268
271 HA CYS 37 HA CYS 37 -0.027 -2.593 -3.059
272 HB2 CYS 37 1HB CYS 37 1.960 -3.459 -4.042
273 HB3 CYS 37 2HB CYS 37 2.160 -3.620 -2.300
274 H PHE 38 H PHE 38 -0.364 -2.893 -5.325
275 HA PHE 38 HA PHE 38 -1.310 -5.375 -6.373
276 HB2 PHE 38 1HB PHE 38 -3.227 -4.078 -4.953
277 HB3 PHE 38 2HB PHE 38 -3.475 -3.372 -6.547
278 HD1 PHE 38 HD2 PHE 38 -2.685 -6.791 -5.267
279 HD2 PHE 38 HD1 PHE 38 -5.200 -4.351 -7.683
280 HE1 PHE 38 HE2 PHE 38 -3.958 -8.783 -5.946
281 HE2 PHE 38 HE1 PHE 38 -6.478 -6.339 -8.365
282 HZ PHE 38 HZ PHE 38 -5.858 -8.558 -7.496
283 H TYR 39 H TYR 39 -1.947 -5.199 -8.645
284 HA TYR 39 HA TYR 39 -0.250 -3.398 -10.048
285 HB2 TYR 39 1HB TYR 39 -1.057 -4.466 -12.052
286 HB3 TYR 39 2HB TYR 39 -0.816 -5.704 -10.825
287 HD1 TYR 39 HD1 TYR 39 -2.732 -6.822 -9.793
288 HD2 TYR 39 HD2 TYR 39 -3.268 -3.922 -12.859
289 HE1 TYR 39 HE1 TYR 39 -5.047 -7.592 -10.107
290 HE2 TYR 39 HE2 TYR 39 -5.585 -4.683 -13.182
291 HH TYR 39 HH TYR 39 -7.319 -5.854 -12.000
292 H ASP 40 H ASP 40 -0.670 -1.491 -10.987
293 HA ASP 40 HA ASP 40 -3.286 -0.299 -10.537
294 HB2 ASP 40 1HB ASP 40 -0.787 0.726 -10.295
295 HB3 ASP 40 2HB ASP 40 -1.195 1.267 -11.921
296 H GLU 41 H GLU 41 -3.721 1.428 -12.482
297 HA GLU 41 HA GLU 41 -4.713 -0.139 -14.601
298 HB2 GLU 41 1HB GLU 41 -5.421 1.935 -15.602
299 HB3 GLU 41 2HB GLU 41 -5.681 2.031 -13.866
300 HG2 GLU 41 1HG GLU 41 -3.308 3.145 -13.893
301 HG3 GLU 41 2HG GLU 41 -3.722 3.473 -15.574
302 H LYS 42 H LYS 42 -1.669 1.378 -14.081
303 HA LYS 42 HA LYS 42 -0.931 1.118 -16.906
304 HB2 LYS 42 1HB LYS 42 0.450 2.452 -14.574
305 HB3 LYS 42 2HB LYS 42 1.167 2.304 -16.173
306 HG2 LYS 42 1HG LYS 42 -1.510 3.589 -15.807
307 HG3 LYS 42 2HG LYS 42 -0.018 4.495 -15.544
308 HD2 LYS 42 1HD LYS 42 0.686 4.141 -17.792
309 HD3 LYS 42 2HD LYS 42 -0.607 2.972 -18.076
310 HE2 LYS 42 1HE LYS 42 -1.540 4.809 -19.053
311 HE3 LYS 42 2HE LYS 42 -2.122 5.033 -17.404
312 HZ1 LYS 42 3HZ LYS 42 0.414 6.247 -18.312
313 HZ2 LYS 42 1HZ LYS 42 -0.555 6.682 -16.995
314 HZ3 LYS 42 2HZ LYS 42 -1.070 7.018 -18.570
315 H ARG 43 H ARG 43 -1.310 -1.154 -15.016
316 HA ARG 43 HA ARG 43 -0.319 -3.125 -14.457
317 HB2 ARG 43 1HB ARG 43 1.157 -2.266 -16.914
318 HB3 ARG 43 2HB ARG 43 1.698 -3.696 -16.043
319 HG2 ARG 43 1HG ARG 43 -1.148 -3.356 -16.932
320 HG3 ARG 43 2HG ARG 43 0.093 -4.044 -17.982
321 HD2 ARG 43 1HD ARG 43 -0.413 -5.100 -15.216
322 HD3 ARG 43 2HD ARG 43 -1.336 -5.662 -16.610
323 HE ARG 43 HE ARG 43 1.376 -6.323 -15.952
324 HH11 ARG 43 1HH1 ARG 43 -0.930 -6.005 -18.540
325 HH12 ARG 43 2HH1 ARG 43 -0.107 -7.115 -19.585
326 HH21 ARG 43 1HH2 ARG 43 2.469 -7.788 -17.317
327 HH22 ARG 43 2HH2 ARG 43 1.826 -8.129 -18.888
328 H ASN 44 H ASN 44 0.636 -0.631 -13.183
329 HA ASN 44 HA ASN 44 3.415 -1.339 -12.561
330 HB2 ASN 44 1HB ASN 44 1.815 1.170 -12.026
331 HB3 ASN 44 2HB ASN 44 3.450 0.906 -11.423
332 HD21 ASN 44 2HD2 ASN 44 2.165 2.793 -13.418
333 HD22 ASN 44 1HD2 ASN 44 3.192 2.691 -14.805
334 H LEU 45 H LEU 45 3.878 -2.374 -10.741
335 HA LEU 45 HA LEU 45 1.799 -2.836 -8.777
336 HB2 LEU 45 1HB LEU 45 4.632 -3.791 -8.571
337 HB3 LEU 45 2HB LEU 45 3.173 -4.514 -7.898
338 HG LEU 45 HG LEU 45 2.629 -4.727 -10.529
339 HD11 LEU 45 1HD1 LEU 45 5.341 -3.982 -10.475
340 HD12 LEU 45 2HD1 LEU 45 4.395 -4.544 -11.853
341 HD13 LEU 45 3HD1 LEU 45 5.293 -5.701 -10.871
342 HD21 LEU 45 3HD2 LEU 45 2.842 -6.974 -10.199
343 HD22 LEU 45 1HD2 LEU 45 2.894 -6.427 -8.522
344 HD23 LEU 45 2HD2 LEU 45 4.390 -6.820 -9.368
345 H GLN 46 H GLN 46 1.474 -1.448 -7.177
346 HA GLN 46 HA GLN 46 3.807 -0.264 -5.845
347 HB2 GLN 46 1HB GLN 46 1.267 1.248 -6.478
348 HB3 GLN 46 2HB GLN 46 2.695 1.884 -5.670
349 HG2 GLN 46 1HG GLN 46 2.564 0.925 -8.521
350 HG3 GLN 46 2HG GLN 46 2.577 2.607 -7.990
351 HE21 GLN 46 2HE2 GLN 46 4.438 1.117 -9.706
352 HE22 GLN 46 1HE2 GLN 46 5.992 1.296 -8.974
353 H CYS 47 H CYS 47 3.211 0.667 -3.677
354 HA CYS 47 HA CYS 47 1.459 -1.230 -2.313
355 HB2 CYS 47 1HB CYS 47 3.828 -0.796 -1.542
356 HB3 CYS 47 2HB CYS 47 3.298 0.813 -1.063
357 H ILE 48 H ILE 48 -0.599 -0.639 -2.132
358 HA ILE 48 HA ILE 48 -1.246 2.200 -1.764
359 HB ILE 48 HB ILE 48 -3.120 -0.073 -2.426
360 HG12 ILE 48 1HG1 ILE 48 -3.032 1.515 -4.645
361 HG13 ILE 48 2HG1 ILE 48 -1.363 1.606 -4.094
362 HG21 ILE 48 1HG2 ILE 48 -3.530 2.912 -2.557
363 HG22 ILE 48 2HG2 ILE 48 -4.713 1.673 -2.973
364 HG23 ILE 48 3HG2 ILE 48 -4.168 1.846 -1.305
365 HD11 ILE 48 3HD1 ILE 48 -2.758 -0.541 -5.424
366 HD12 ILE 48 1HD1 ILE 48 -1.029 -0.289 -5.190
367 HD13 ILE 48 2HD1 ILE 48 -1.982 -1.085 -3.937
368 H CYS 49 H CYS 49 -2.428 2.934 -0.035
369 HA CYS 49 HA CYS 49 -2.854 0.997 2.147
370 HB2 CYS 49 1HB CYS 49 -2.365 3.949 2.524
371 HB3 CYS 49 2HB CYS 49 -2.286 2.672 3.734
372 H ASP 50 H ASP 50 -4.823 0.877 3.057
373 HA ASP 50 HA ASP 50 -6.840 2.845 2.194
374 HB2 ASP 50 1HB ASP 50 -7.076 0.496 1.268
375 HB3 ASP 50 2HB ASP 50 -7.399 -0.032 2.918
376 H TYR 51 H TYR 51 -7.756 3.992 3.757
377 HA TYR 51 HA TYR 51 -7.701 2.919 6.501
378 HB2 TYR 51 1HB TYR 51 -6.098 4.783 6.187
379 HB3 TYR 51 2HB TYR 51 -7.428 5.820 5.685
380 HD1 TYR 51 HD2 TYR 51 -7.349 3.350 8.466
381 HD2 TYR 51 HD1 TYR 51 -7.507 7.455 7.356
382 HE1 TYR 51 HE2 TYR 51 -7.748 3.963 10.814
383 HE2 TYR 51 HE1 TYR 51 -7.906 8.079 9.701
384 HH TYR 51 HH TYR 51 -8.883 5.987 12.020
385 H CYS 52 H CYS 52 -9.694 2.425 7.111
386 HA CYS 52 HA CYS 52 -11.898 4.201 6.287
387 HB2 CYS 52 1HB CYS 52 -11.715 1.645 5.526
388 HB3 CYS 52 2HB CYS 52 -12.473 1.394 7.095
389 H GLU 53 H GLU 53 -13.245 4.973 7.831
390 HA GLU 53 HA GLU 53 -12.644 4.203 10.609
391 HB2 GLU 53 1HB GLU 53 -12.147 6.572 9.926
392 HB3 GLU 53 2HB GLU 53 -13.871 6.795 9.660
393 HG2 GLU 53 1HG GLU 53 -14.365 6.546 11.942
394 HG3 GLU 53 2HG GLU 53 -12.768 5.889 12.298
395 H TYR 54 H TYR 54 -14.122 2.759 11.243
396 HA TYR 54 HA TYR 54 -16.839 2.839 10.283
397 HB2 TYR 54 1HB TYR 54 -15.359 0.769 10.942
398 HB3 TYR 54 2HB TYR 54 -15.965 1.103 12.561
399 HD1 TYR 54 HD2 TYR 54 -18.563 1.342 12.767
400 HD2 TYR 54 HD1 TYR 54 -16.595 -0.591 9.528
401 HE1 TYR 54 HE2 TYR 54 -20.631 0.114 12.250
402 HE2 TYR 54 HE1 TYR 54 -18.657 -1.824 9.002
403 HH TYR 54 HH TYR 54 -21.485 -1.077 9.741
Start of MODEL 9
1 H1 ASP 2 H ASP 2 -18.738 4.515 3.530
2 HA ASP 2 HA ASP 2 -16.773 4.723 1.675
3 HB2 ASP 2 1HB ASP 2 -17.398 6.969 3.598
4 HB3 ASP 2 2HB ASP 2 -16.862 7.105 1.924
5 H CYS 3 H CYS 3 -14.621 4.715 1.621
6 HA CYS 3 HA CYS 3 -13.139 5.285 4.096
7 HB2 CYS 3 1HB CYS 3 -12.311 3.094 2.200
8 HB3 CYS 3 2HB CYS 3 -11.738 3.396 3.838
9 H LYS 4 H LYS 4 -10.700 5.467 3.550
10 HA LYS 4 HA LYS 4 -10.427 7.007 1.050
11 HB2 LYS 4 1HB LYS 4 -10.250 8.627 2.717
12 HB3 LYS 4 2HB LYS 4 -9.413 7.543 3.821
13 HG2 LYS 4 1HG LYS 4 -7.384 7.995 2.948
14 HG3 LYS 4 2HG LYS 4 -8.007 8.172 1.306
15 HD2 LYS 4 1HD LYS 4 -8.773 10.221 3.320
16 HD3 LYS 4 2HD LYS 4 -7.121 10.246 2.701
17 HE2 LYS 4 1HE LYS 4 -8.178 11.617 1.191
18 HE3 LYS 4 2HE LYS 4 -8.307 10.059 0.378
19 HZ1 LYS 4 3HZ LYS 4 -10.459 10.972 2.168
20 HZ2 LYS 4 1HZ LYS 4 -10.538 9.886 0.874
21 HZ3 LYS 4 2HZ LYS 4 -10.382 11.545 0.578
22 H ARG 5 H ARG 5 -9.067 6.140 -0.359
23 HA ARG 5 HA ARG 5 -6.830 4.514 0.659
24 HB2 ARG 5 1HB ARG 5 -7.032 3.174 -1.440
25 HB3 ARG 5 2HB ARG 5 -8.409 3.018 -0.355
26 HG2 ARG 5 1HG ARG 5 -9.442 3.237 -2.391
27 HG3 ARG 5 2HG ARG 5 -9.431 4.908 -1.823
28 HD2 ARG 5 1HD ARG 5 -8.023 5.575 -3.441
29 HD3 ARG 5 2HD ARG 5 -7.033 4.121 -3.310
30 HE ARG 5 HE ARG 5 -9.457 3.427 -4.518
31 HH11 ARG 5 1HH1 ARG 5 -6.614 5.324 -5.183
32 HH12 ARG 5 2HH1 ARG 5 -6.714 5.108 -6.900
33 HH21 ARG 5 1HH2 ARG 5 -9.598 3.136 -6.776
34 HH22 ARG 5 2HH2 ARG 5 -8.411 3.864 -7.804
35 H LYS 6 H LYS 6 -4.863 4.653 -0.442
36 HA LYS 6 HA LYS 6 -4.590 6.425 -2.710
37 HB2 LYS 6 1HB LYS 6 -4.564 8.056 -0.927
38 HB3 LYS 6 2HB LYS 6 -3.384 7.112 -0.026
39 HG2 LYS 6 1HG LYS 6 -1.645 7.707 -1.418
40 HG3 LYS 6 2HG LYS 6 -2.717 8.095 -2.765
41 HD2 LYS 6 1HD LYS 6 -2.681 9.682 -0.207
42 HD3 LYS 6 2HD LYS 6 -1.632 10.058 -1.577
43 HE2 LYS 6 1HE LYS 6 -3.578 10.362 -3.005
44 HE3 LYS 6 2HE LYS 6 -4.645 9.922 -1.673
45 HZ1 LYS 6 3HZ LYS 6 -3.007 11.978 -0.770
46 HZ2 LYS 6 1HZ LYS 6 -4.669 12.039 -1.080
47 HZ3 LYS 6 2HZ LYS 6 -3.567 12.444 -2.296
48 H VAL 7 H VAL 7 -2.755 6.034 -3.888
49 HA VAL 7 HA VAL 7 -1.096 3.799 -2.947
50 HB VAL 7 HB VAL 7 -2.203 3.340 -5.043
51 HG11 VAL 7 1HG1 VAL 7 -2.619 4.919 -6.545
52 HG12 VAL 7 2HG1 VAL 7 -1.732 6.076 -5.551
53 HG13 VAL 7 3HG1 VAL 7 -0.893 5.163 -6.806
54 HG21 VAL 7 3HG2 VAL 7 0.344 2.837 -4.584
55 HG22 VAL 7 1HG2 VAL 7 -0.397 2.459 -6.139
56 HG23 VAL 7 2HG2 VAL 7 0.570 3.922 -5.956
57 H TYR 8 H TYR 8 1.101 3.940 -2.842
58 HA TYR 8 HA TYR 8 2.286 6.572 -3.445
59 HB2 TYR 8 1HB TYR 8 2.088 5.307 -0.950
60 HB3 TYR 8 2HB TYR 8 3.764 5.096 -1.444
61 HD1 TYR 8 HD2 TYR 8 4.644 7.437 -2.663
62 HD2 TYR 8 HD1 TYR 8 1.776 7.093 0.461
63 HE1 TYR 8 HE2 TYR 8 5.145 9.740 -1.958
64 HE2 TYR 8 HE1 TYR 8 2.268 9.396 1.173
65 HH TYR 8 HH TYR 8 3.461 11.606 -0.446
66 H GLU 9 H GLU 9 3.068 5.990 -5.462
67 HA GLU 9 HA GLU 9 4.467 3.609 -6.024
68 HB2 GLU 9 1HB GLU 9 5.022 4.589 -8.112
69 HB3 GLU 9 2HB GLU 9 3.429 5.203 -7.696
70 HG2 GLU 9 1HG GLU 9 4.706 7.216 -6.717
71 HG3 GLU 9 2HG GLU 9 6.056 6.626 -7.684
72 H ASN 10 H ASN 10 5.393 6.465 -4.386
73 HA ASN 10 HA ASN 10 8.144 6.545 -4.916
74 HB2 ASN 10 1HB ASN 10 6.931 8.358 -3.769
75 HB3 ASN 10 2HB ASN 10 6.696 7.314 -2.371
76 HD21 ASN 10 2HD2 ASN 10 7.933 8.028 -0.797
77 HD22 ASN 10 1HD2 ASN 10 9.595 8.480 -0.935
78 H TYR 11 H TYR 11 6.272 4.311 -3.126
79 HA TYR 11 HA TYR 11 8.366 3.400 -1.390
80 HB2 TYR 11 1HB TYR 11 5.591 2.513 -2.043
81 HB3 TYR 11 2HB TYR 11 6.677 1.359 -1.276
82 HD1 TYR 11 HD1 TYR 11 8.154 2.813 0.666
83 HD2 TYR 11 HD2 TYR 11 4.100 3.362 -0.507
84 HE1 TYR 11 HE1 TYR 11 7.659 3.803 2.862
85 HE2 TYR 11 HE2 TYR 11 3.595 4.356 1.687
86 HH TYR 11 HH TYR 11 6.126 4.762 4.147
87 HA PRO 12 HA PRO 12 10.487 0.581 -3.999
88 HB2 PRO 12 1HB PRO 12 11.094 -1.415 -2.262
89 HB3 PRO 12 2HB PRO 12 11.885 0.165 -2.224
90 HG2 PRO 12 1HG PRO 12 9.643 -0.872 -0.533
91 HG3 PRO 12 2HG PRO 12 11.066 0.070 -0.050
92 HD2 PRO 12 1HD PRO 12 8.626 1.191 -0.400
93 HD3 PRO 12 2HD PRO 12 10.135 2.063 -0.737
94 H VAL 13 H VAL 13 9.751 -0.774 -5.503
95 HA VAL 13 HA VAL 13 7.286 -2.153 -5.243
96 HB VAL 13 HB VAL 13 9.433 -2.550 -7.332
97 HG11 VAL 13 1HG1 VAL 13 6.699 -3.602 -6.970
98 HG12 VAL 13 2HG1 VAL 13 7.120 -3.056 -8.595
99 HG13 VAL 13 3HG1 VAL 13 8.086 -4.302 -7.804
100 HG21 VAL 13 3HG2 VAL 13 8.952 -0.467 -7.965
101 HG22 VAL 13 1HG2 VAL 13 7.358 -1.067 -8.423
102 HG23 VAL 13 2HG2 VAL 13 7.608 -0.357 -6.827
103 H SER 14 H SER 14 10.522 -2.973 -4.456
104 HA SER 14 HA SER 14 10.321 -5.797 -4.687
105 HB2 SER 14 1HB SER 14 12.192 -3.961 -3.202
106 HB3 SER 14 2HB SER 14 12.309 -5.713 -3.046
107 HG SER 14 HG SER 14 12.781 -5.874 -5.193
108 H LYS 15 H LYS 15 9.437 -3.494 -2.229
109 HA LYS 15 HA LYS 15 9.145 -5.390 -0.111
110 HB2 LYS 15 1HB LYS 15 8.501 -2.519 -0.531
111 HB3 LYS 15 2HB LYS 15 7.603 -3.365 0.721
112 HG2 LYS 15 1HG LYS 15 9.590 -2.217 1.590
113 HG3 LYS 15 2HG LYS 15 9.650 -3.962 1.847
114 HD2 LYS 15 1HD LYS 15 11.170 -4.240 0.010
115 HD3 LYS 15 2HD LYS 15 10.995 -2.544 -0.451
116 HE2 LYS 15 1HE LYS 15 12.083 -3.446 2.210
117 HE3 LYS 15 2HE LYS 15 13.098 -3.110 0.808
118 HZ1 LYS 15 3HZ LYS 15 11.186 -1.073 1.722
119 HZ2 LYS 15 1HZ LYS 15 12.655 -0.877 0.906
120 HZ3 LYS 15 2HZ LYS 15 12.646 -1.266 2.552
121 H CYS 16 H CYS 16 7.186 -4.369 -2.759
122 HA CYS 16 HA CYS 16 4.615 -4.823 -1.876
123 HB2 CYS 16 1HB CYS 16 4.982 -3.944 -4.076
124 HB3 CYS 16 2HB CYS 16 5.865 -5.386 -4.568
125 H GLN 17 H GLN 17 7.079 -7.153 -2.782
126 HA GLN 17 HA GLN 17 5.516 -9.449 -2.987
127 HB2 GLN 17 1HB GLN 17 8.323 -9.253 -1.881
128 HB3 GLN 17 2HB GLN 17 7.559 -10.700 -2.524
129 HG2 GLN 17 1HG GLN 17 7.393 -9.588 -4.724
130 HG3 GLN 17 2HG GLN 17 8.268 -8.210 -4.058
131 HE21 GLN 17 2HE2 GLN 17 9.135 -9.690 -6.263
132 HE22 GLN 17 1HE2 GLN 17 10.605 -10.494 -5.840
133 H LEU 18 H LEU 18 6.660 -7.723 -0.173
134 HA LEU 18 HA LEU 18 5.941 -9.817 1.673
135 HB2 LEU 18 1HB LEU 18 7.003 -7.040 1.902
136 HB3 LEU 18 2HB LEU 18 6.275 -7.799 3.316
137 HG LEU 18 HG LEU 18 8.835 -7.914 3.002
138 HD11 LEU 18 1HD1 LEU 18 7.086 -10.265 3.669
139 HD12 LEU 18 2HD1 LEU 18 7.826 -9.105 4.771
140 HD13 LEU 18 3HD1 LEU 18 8.833 -10.272 3.914
141 HD21 LEU 18 3HD2 LEU 18 8.735 -8.662 0.650
142 HD22 LEU 18 1HD2 LEU 18 8.000 -10.172 1.186
143 HD23 LEU 18 2HD2 LEU 18 9.643 -9.768 1.683
144 H ALA 19 H ALA 19 4.091 -10.031 2.806
145 HA ALA 19 HA ALA 19 1.867 -8.296 2.070
146 HB1 ALA 19 3HB ALA 19 2.142 -11.040 3.134
147 HB2 ALA 19 1HB ALA 19 0.709 -10.137 3.627
148 HB3 ALA 19 2HB ALA 19 1.043 -10.398 1.914
149 H ASN 20 H ASN 20 3.874 -9.075 4.811
150 HA ASN 20 HA ASN 20 2.161 -7.617 6.657
151 HB2 ASN 20 1HB ASN 20 4.528 -9.401 6.904
152 HB3 ASN 20 2HB ASN 20 4.311 -8.181 8.155
153 HD21 ASN 20 2HD2 ASN 20 2.279 -8.162 9.304
154 HD22 ASN 20 1HD2 ASN 20 1.416 -9.643 9.526
155 H GLN 21 H GLN 21 4.774 -7.007 4.576
156 HA GLN 21 HA GLN 21 5.910 -4.830 6.082
157 HB2 GLN 21 1HB GLN 21 7.239 -6.219 4.500
158 HB3 GLN 21 2HB GLN 21 6.305 -5.542 3.171
159 HG2 GLN 21 1HG GLN 21 8.092 -4.161 3.081
160 HG3 GLN 21 2HG GLN 21 7.122 -3.267 4.251
161 HE21 GLN 21 2HE2 GLN 21 10.048 -4.874 3.656
162 HE22 GLN 21 1HE2 GLN 21 10.718 -4.749 5.243
163 H CYS 22 H CYS 22 3.777 -5.179 3.278
164 HA CYS 22 HA CYS 22 3.555 -2.464 2.624
165 HB2 CYS 22 1HB CYS 22 2.542 -4.823 1.621
166 HB3 CYS 22 2HB CYS 22 1.101 -4.011 2.222
167 H ASN 23 H ASN 23 1.151 -4.447 4.366
168 HA ASN 23 HA ASN 23 -0.474 -2.360 5.205
169 HB2 ASN 23 1HB ASN 23 -1.554 -3.905 6.561
170 HB3 ASN 23 2HB ASN 23 -0.780 -4.952 5.375
171 HD21 ASN 23 2HD2 ASN 23 -1.465 -4.761 8.495
172 HD22 ASN 23 1HD2 ASN 23 -0.122 -5.606 9.179
173 H TYR 24 H TYR 24 2.553 -3.499 6.495
174 HA TYR 24 HA TYR 24 2.374 -2.245 9.034
175 HB2 TYR 24 1HB TYR 24 3.965 -3.999 8.786
176 HB3 TYR 24 2HB TYR 24 4.712 -3.221 7.395
177 HD1 TYR 24 HD1 TYR 24 4.147 -2.790 11.049
178 HD2 TYR 24 HD2 TYR 24 6.566 -1.831 7.683
179 HE1 TYR 24 HE1 TYR 24 5.782 -1.714 12.538
180 HE2 TYR 24 HE2 TYR 24 8.209 -0.753 9.162
181 HH TYR 24 HH TYR 24 7.782 -0.746 12.684
182 H ASP 25 H ASP 25 3.987 -1.299 6.007
183 HA ASP 25 HA ASP 25 4.877 1.214 6.983
184 HB2 ASP 25 1HB ASP 25 4.547 0.109 4.194
185 HB3 ASP 25 2HB ASP 25 5.185 1.720 4.509
186 H CYS 26 H CYS 26 1.914 0.093 5.556
187 HA CYS 26 HA CYS 26 0.919 2.711 4.911
188 HB2 CYS 26 1HB CYS 26 -0.306 -0.039 4.966
189 HB3 CYS 26 2HB CYS 26 -1.284 1.396 4.680
190 H LYS 27 H LYS 27 0.102 0.271 7.374
191 HA LYS 27 HA LYS 27 -1.707 1.951 8.775
192 HB2 LYS 27 1HB LYS 27 -0.216 -0.503 9.726
193 HB3 LYS 27 2HB LYS 27 -1.576 0.245 10.554
194 HG2 LYS 27 1HG LYS 27 -3.104 -0.510 9.021
195 HG3 LYS 27 2HG LYS 27 -1.911 -0.626 7.726
196 HD2 LYS 27 1HD LYS 27 -2.336 -2.851 8.266
197 HD3 LYS 27 2HD LYS 27 -0.859 -2.491 9.164
198 HE2 LYS 27 1HE LYS 27 -2.556 -1.841 11.060
199 HE3 LYS 27 2HE LYS 27 -3.644 -2.893 10.156
200 HZ1 LYS 27 3HZ LYS 27 -2.460 -4.729 10.688
201 HZ2 LYS 27 1HZ LYS 27 -2.038 -3.795 12.035
202 HZ3 LYS 27 2HZ LYS 27 -0.974 -3.921 10.725
203 H LEU 28 H LEU 28 1.654 1.945 8.573
204 HA LEU 28 HA LEU 28 2.204 2.872 11.241
205 HB2 LEU 28 1HB LEU 28 3.937 1.682 10.141
206 HB3 LEU 28 2HB LEU 28 3.841 2.723 8.722
207 HG LEU 28 HG LEU 28 4.564 4.052 11.259
208 HD11 LEU 28 1HD1 LEU 28 6.712 2.529 9.851
209 HD12 LEU 28 2HD1 LEU 28 5.764 1.750 11.116
210 HD13 LEU 28 3HD1 LEU 28 6.695 3.202 11.481
211 HD21 LEU 28 3HD2 LEU 28 6.381 4.633 9.240
212 HD22 LEU 28 1HD2 LEU 28 4.982 5.595 9.713
213 HD23 LEU 28 2HD2 LEU 28 4.842 4.422 8.404
214 H ASP 29 H ASP 29 2.584 4.423 8.047
215 HA ASP 29 HA ASP 29 2.392 7.039 9.329
216 HB2 ASP 29 1HB ASP 29 3.412 6.030 6.720
217 HB3 ASP 29 2HB ASP 29 2.803 7.682 6.771
218 H LYS 30 H LYS 30 0.887 5.273 6.629
219 HA LYS 30 HA LYS 30 -1.145 7.217 6.203
220 HB2 LYS 30 1HB LYS 30 -0.407 4.601 5.113
221 HB3 LYS 30 2HB LYS 30 -2.144 4.870 5.158
222 HG2 LYS 30 1HG LYS 30 -0.413 7.021 4.058
223 HG3 LYS 30 2HG LYS 30 -0.695 5.576 3.082
224 HD2 LYS 30 1HD LYS 30 -2.494 6.767 2.391
225 HD3 LYS 30 2HD LYS 30 -3.212 6.084 3.851
226 HE2 LYS 30 1HE LYS 30 -1.751 8.487 4.466
227 HE3 LYS 30 2HE LYS 30 -2.927 8.792 3.189
228 HZ1 LYS 30 3HZ LYS 30 -4.561 8.725 4.663
229 HZ2 LYS 30 1HZ LYS 30 -3.413 8.616 5.901
230 HZ3 LYS 30 2HZ LYS 30 -4.077 7.210 5.237
231 H HIS 31 H HIS 31 -0.690 4.948 8.626
232 HA HIS 31 HA HIS 31 -2.008 4.059 10.259
233 HB2 HIS 31 1HB HIS 31 -2.417 6.680 10.304
234 HB3 HIS 31 2HB HIS 31 -4.046 6.198 9.839
235 HD1 HIS 31 HD1 HIS 31 -1.560 5.029 12.488
236 HD2 HIS 31 HD2 HIS 31 -5.589 5.937 12.028
237 HE1 HIS 31 HE1 HIS 31 -2.593 4.672 14.753
238 H ALA 32 H ALA 32 -2.562 3.349 7.411
239 HA ALA 32 HA ALA 32 -5.315 3.028 6.974
240 HB1 ALA 32 3HB ALA 32 -4.664 2.114 5.047
241 HB2 ALA 32 1HB ALA 32 -3.016 2.480 5.560
242 HB3 ALA 32 2HB ALA 32 -3.700 0.882 5.861
243 H ARG 33 H ARG 33 -5.656 0.309 6.438
244 HA ARG 33 HA ARG 33 -5.407 -0.979 9.066
245 HB2 ARG 33 1HB ARG 33 -7.724 0.128 8.482
246 HB3 ARG 33 2HB ARG 33 -7.933 -1.317 7.502
247 HG2 ARG 33 1HG ARG 33 -7.306 -2.593 9.654
248 HG3 ARG 33 2HG ARG 33 -7.679 -1.073 10.470
249 HD2 ARG 33 1HD ARG 33 -9.919 -1.104 9.695
250 HD3 ARG 33 2HD ARG 33 -9.580 -2.409 8.559
251 HE ARG 33 HE ARG 33 -10.179 -2.659 11.356
252 HH11 ARG 33 1HH1 ARG 33 -8.612 -4.147 8.628
253 HH12 ARG 33 2HH1 ARG 33 -8.722 -5.751 9.273
254 HH21 ARG 33 1HH2 ARG 33 -10.330 -4.766 12.217
255 HH22 ARG 33 2HH2 ARG 33 -9.700 -6.102 11.315
256 H SER 34 H SER 34 -6.073 -1.338 5.616
257 HA SER 34 HA SER 34 -4.993 -4.075 5.776
258 HB2 SER 34 1HB SER 34 -7.221 -3.054 4.001
259 HB3 SER 34 2HB SER 34 -6.473 -4.643 3.845
260 HG SER 34 HG SER 34 -8.499 -4.331 5.197
261 H GLY 35 H GLY 35 -3.416 -1.783 5.357
262 HA2 GLY 35 1HA GLY 35 -2.926 -0.977 2.774
263 HA3 GLY 35 2HA GLY 35 -1.674 -1.151 3.996
264 H GLU 36 H GLU 36 -2.440 -2.002 0.961
265 HA GLU 36 HA GLU 36 -0.555 -4.202 0.977
266 HB2 GLU 36 1HB GLU 36 -3.040 -5.024 1.292
267 HB3 GLU 36 2HB GLU 36 -3.132 -4.737 -0.440
268 HG2 GLU 36 1HG GLU 36 -2.600 -7.067 0.115
269 HG3 GLU 36 2HG GLU 36 -1.343 -6.290 -0.845
270 H CYS 37 H CYS 37 -0.031 -4.914 -1.275
271 HA CYS 37 HA CYS 37 -0.103 -2.584 -3.060
272 HB2 CYS 37 1HB CYS 37 1.909 -3.389 -4.048
273 HB3 CYS 37 2HB CYS 37 2.116 -3.543 -2.307
274 H PHE 38 H PHE 38 -0.462 -2.874 -5.315
275 HA PHE 38 HA PHE 38 -1.299 -5.376 -6.394
276 HB2 PHE 38 1HB PHE 38 -3.261 -4.307 -4.915
277 HB3 PHE 38 2HB PHE 38 -3.555 -3.443 -6.420
278 HD1 PHE 38 HD2 PHE 38 -2.747 -6.938 -5.377
279 HD2 PHE 38 HD1 PHE 38 -5.136 -4.367 -7.785
280 HE1 PHE 38 HE2 PHE 38 -3.957 -8.892 -6.255
281 HE2 PHE 38 HE1 PHE 38 -6.350 -6.318 -8.668
282 HZ PHE 38 HZ PHE 38 -5.760 -8.584 -7.904
283 H TYR 39 H TYR 39 -2.040 -5.168 -8.652
284 HA TYR 39 HA TYR 39 -0.391 -3.441 -10.120
285 HB2 TYR 39 1HB TYR 39 -2.672 -5.251 -10.799
286 HB3 TYR 39 2HB TYR 39 -2.090 -4.127 -12.020
287 HD1 TYR 39 HD1 TYR 39 0.301 -4.263 -12.767
288 HD2 TYR 39 HD2 TYR 39 -1.471 -7.227 -10.281
289 HE1 TYR 39 HE1 TYR 39 2.109 -5.825 -13.351
290 HE2 TYR 39 HE2 TYR 39 0.332 -8.796 -10.858
291 HH TYR 39 HH TYR 39 2.174 -8.653 -13.333
292 H ASP 40 H ASP 40 -0.680 -1.475 -11.019
293 HA ASP 40 HA ASP 40 -3.150 -0.052 -10.327
294 HB2 ASP 40 1HB ASP 40 -1.757 1.996 -10.914
295 HB3 ASP 40 2HB ASP 40 -1.255 1.097 -9.486
296 H GLU 41 H GLU 41 -3.337 1.937 -12.053
297 HA GLU 41 HA GLU 41 -4.393 0.739 -14.379
298 HB2 GLU 41 1HB GLU 41 -4.927 2.951 -15.104
299 HB3 GLU 41 2HB GLU 41 -5.153 2.903 -13.361
300 HG2 GLU 41 1HG GLU 41 -4.040 4.869 -13.540
301 HG3 GLU 41 2HG GLU 41 -2.667 3.778 -13.362
302 H LYS 42 H LYS 42 -1.241 1.820 -13.578
303 HA LYS 42 HA LYS 42 -0.407 2.003 -16.371
304 HB2 LYS 42 1HB LYS 42 1.149 2.445 -13.816
305 HB3 LYS 42 2HB LYS 42 1.771 2.704 -15.440
306 HG2 LYS 42 1HG LYS 42 -0.101 4.373 -15.751
307 HG3 LYS 42 2HG LYS 42 -0.381 4.239 -14.014
308 HD2 LYS 42 1HD LYS 42 2.338 4.870 -15.123
309 HD3 LYS 42 2HD LYS 42 1.136 6.134 -14.849
310 HE2 LYS 42 1HE LYS 42 0.962 5.348 -12.486
311 HE3 LYS 42 2HE LYS 42 2.306 4.253 -12.804
312 HZ1 LYS 42 3HZ LYS 42 3.609 5.936 -12.212
313 HZ2 LYS 42 1HZ LYS 42 2.343 7.057 -12.258
314 HZ3 LYS 42 2HZ LYS 42 3.194 6.684 -13.671
315 H ARG 43 H ARG 43 -1.193 -0.523 -14.839
316 HA ARG 43 HA ARG 43 -0.557 -2.704 -14.727
317 HB2 ARG 43 1HB ARG 43 1.124 -1.714 -17.020
318 HB3 ARG 43 2HB ARG 43 1.160 -3.394 -16.505
319 HG2 ARG 43 1HG ARG 43 -0.416 -3.528 -18.136
320 HG3 ARG 43 2HG ARG 43 -1.456 -3.164 -16.757
321 HD2 ARG 43 1HD ARG 43 -1.344 -0.767 -17.360
322 HD3 ARG 43 2HD ARG 43 -0.397 -1.197 -18.783
323 HE ARG 43 HE ARG 43 -2.901 -2.585 -18.635
324 HH11 ARG 43 1HH1 ARG 43 -1.345 0.372 -19.611
325 HH12 ARG 43 2HH1 ARG 43 -2.547 0.767 -20.793
326 HH21 ARG 43 1HH2 ARG 43 -4.490 -2.075 -20.189
327 HH22 ARG 43 2HH2 ARG 43 -4.337 -0.625 -21.121
328 H ASN 44 H ASN 44 0.892 -0.644 -13.126
329 HA ASN 44 HA ASN 44 3.439 -2.059 -12.715
330 HB2 ASN 44 1HB ASN 44 2.590 0.778 -12.322
331 HB3 ASN 44 2HB ASN 44 3.843 0.125 -11.271
332 HD21 ASN 44 2HD2 ASN 44 3.853 2.167 -13.452
333 HD22 ASN 44 1HD2 ASN 44 5.118 1.665 -14.515
334 H LEU 45 H LEU 45 4.162 -2.330 -10.484
335 HA LEU 45 HA LEU 45 1.897 -2.957 -8.728
336 HB2 LEU 45 1HB LEU 45 4.753 -3.852 -8.418
337 HB3 LEU 45 2HB LEU 45 3.326 -4.501 -7.612
338 HG LEU 45 HG LEU 45 3.581 -4.683 -10.589
339 HD11 LEU 45 1HD1 LEU 45 5.673 -5.570 -9.822
340 HD12 LEU 45 2HD1 LEU 45 4.621 -6.914 -10.268
341 HD13 LEU 45 3HD1 LEU 45 4.867 -6.512 -8.569
342 HD21 LEU 45 3HD2 LEU 45 1.508 -5.444 -10.044
343 HD22 LEU 45 1HD2 LEU 45 1.994 -5.944 -8.423
344 HD23 LEU 45 2HD2 LEU 45 2.415 -6.940 -9.816
345 H GLN 46 H GLN 46 1.454 -1.559 -7.169
346 HA GLN 46 HA GLN 46 3.677 -0.201 -5.812
347 HB2 GLN 46 1HB GLN 46 1.060 1.131 -6.519
348 HB3 GLN 46 2HB GLN 46 2.449 1.878 -5.743
349 HG2 GLN 46 1HG GLN 46 3.719 1.821 -7.712
350 HG3 GLN 46 2HG GLN 46 2.620 0.682 -8.486
351 HE21 GLN 46 2HE2 GLN 46 3.566 3.291 -9.393
352 HE22 GLN 46 1HE2 GLN 46 2.151 4.245 -9.661
353 H CYS 47 H CYS 47 3.124 0.595 -3.653
354 HA CYS 47 HA CYS 47 1.340 -1.285 -2.310
355 HB2 CYS 47 1HB CYS 47 3.720 -0.872 -1.544
356 HB3 CYS 47 2HB CYS 47 3.191 0.727 -1.029
357 H ILE 48 H ILE 48 -0.712 -0.668 -2.143
358 HA ILE 48 HA ILE 48 -1.342 2.170 -1.779
359 HB ILE 48 HB ILE 48 -3.224 -0.121 -2.351
360 HG12 ILE 48 1HG1 ILE 48 -3.228 1.422 -4.590
361 HG13 ILE 48 2HG1 ILE 48 -1.549 1.584 -4.088
362 HG21 ILE 48 1HG2 ILE 48 -4.332 1.719 -1.246
363 HG22 ILE 48 2HG2 ILE 48 -3.632 2.865 -2.387
364 HG23 ILE 48 3HG2 ILE 48 -4.809 1.675 -2.943
365 HD11 ILE 48 3HD1 ILE 48 -2.859 -0.602 -5.396
366 HD12 ILE 48 1HD1 ILE 48 -1.141 -0.339 -5.096
367 HD13 ILE 48 2HD1 ILE 48 -2.137 -1.138 -3.879
368 H CYS 49 H CYS 49 -2.599 2.921 -0.077
369 HA CYS 49 HA CYS 49 -2.906 1.051 2.181
370 HB2 CYS 49 1HB CYS 49 -2.489 4.023 2.464
371 HB3 CYS 49 2HB CYS 49 -2.345 2.782 3.705
372 H ASP 50 H ASP 50 -4.873 0.856 3.056
373 HA ASP 50 HA ASP 50 -6.951 2.754 2.184
374 HB2 ASP 50 1HB ASP 50 -7.135 -0.195 2.809
375 HB3 ASP 50 2HB ASP 50 -8.546 0.839 2.609
376 H TYR 51 H TYR 51 -7.622 4.058 3.742
377 HA TYR 51 HA TYR 51 -7.547 3.089 6.523
378 HB2 TYR 51 1HB TYR 51 -6.038 4.985 6.094
379 HB3 TYR 51 2HB TYR 51 -7.398 5.936 5.509
380 HD1 TYR 51 HD2 TYR 51 -7.170 3.710 8.489
381 HD2 TYR 51 HD1 TYR 51 -7.619 7.682 7.032
382 HE1 TYR 51 HE2 TYR 51 -7.600 4.494 10.780
383 HE2 TYR 51 HE1 TYR 51 -8.049 8.478 9.320
384 HH TYR 51 HH TYR 51 -7.847 7.903 11.538
385 H CYS 52 H CYS 52 -9.494 2.542 7.228
386 HA CYS 52 HA CYS 52 -11.792 4.216 6.449
387 HB2 CYS 52 1HB CYS 52 -11.566 1.705 5.617
388 HB3 CYS 52 2HB CYS 52 -12.202 1.363 7.222
389 H GLU 53 H GLU 53 -13.208 4.823 8.032
390 HA GLU 53 HA GLU 53 -12.359 4.251 10.785
391 HB2 GLU 53 1HB GLU 53 -13.677 6.571 9.459
392 HB3 GLU 53 2HB GLU 53 -14.065 6.260 11.146
393 HG2 GLU 53 1HG GLU 53 -11.331 6.758 9.994
394 HG3 GLU 53 2HG GLU 53 -12.275 7.862 10.992
395 H TYR 54 H TYR 54 -13.422 2.511 11.521
396 HA TYR 54 HA TYR 54 -16.255 2.172 10.887
397 HB2 TYR 54 1HB TYR 54 -14.548 0.282 10.708
398 HB3 TYR 54 2HB TYR 54 -14.525 0.273 12.468
399 HD1 TYR 54 HD2 TYR 54 -16.723 -0.145 13.688
400 HD2 TYR 54 HD1 TYR 54 -16.212 -0.874 9.527
401 HE1 TYR 54 HE2 TYR 54 -18.690 -1.622 13.711
402 HE2 TYR 54 HE1 TYR 54 -18.178 -2.352 9.538
403 HH TYR 54 HH TYR 54 -20.452 -2.370 11.667
Start of MODEL 10
1 H1 ASP 2 H ASP 2 -18.498 4.124 3.334
2 HA ASP 2 HA ASP 2 -16.376 4.057 1.728
3 HB2 ASP 2 1HB ASP 2 -18.305 5.865 2.037
4 HB3 ASP 2 2HB ASP 2 -16.994 6.780 2.774
5 H CYS 3 H CYS 3 -14.230 4.213 1.824
6 HA CYS 3 HA CYS 3 -13.023 5.421 4.226
7 HB2 CYS 3 1HB CYS 3 -11.815 3.095 2.737
8 HB3 CYS 3 2HB CYS 3 -11.383 3.711 4.328
9 H LYS 4 H LYS 4 -10.584 5.827 3.807
10 HA LYS 4 HA LYS 4 -10.335 7.097 1.160
11 HB2 LYS 4 1HB LYS 4 -10.322 8.861 2.689
12 HB3 LYS 4 2HB LYS 4 -9.419 7.944 3.888
13 HG2 LYS 4 1HG LYS 4 -7.401 8.388 2.918
14 HG3 LYS 4 2HG LYS 4 -8.093 8.570 1.304
15 HD2 LYS 4 1HD LYS 4 -8.990 10.725 1.868
16 HD3 LYS 4 2HD LYS 4 -8.518 10.530 3.557
17 HE2 LYS 4 1HE LYS 4 -6.134 10.368 2.746
18 HE3 LYS 4 2HE LYS 4 -6.725 10.867 1.162
19 HZ1 LYS 4 3HZ LYS 4 -7.791 12.751 2.710
20 HZ2 LYS 4 1HZ LYS 4 -6.278 12.902 1.966
21 HZ3 LYS 4 2HZ LYS 4 -6.380 12.424 3.585
22 H ARG 5 H ARG 5 -8.940 6.122 -0.141
23 HA ARG 5 HA ARG 5 -6.571 4.836 1.049
24 HB2 ARG 5 1HB ARG 5 -6.660 3.226 -0.858
25 HB3 ARG 5 2HB ARG 5 -8.021 3.098 0.249
26 HG2 ARG 5 1HG ARG 5 -9.066 2.970 -1.789
27 HG3 ARG 5 2HG ARG 5 -9.193 4.694 -1.439
28 HD2 ARG 5 1HD ARG 5 -7.640 5.271 -3.024
29 HD3 ARG 5 2HD ARG 5 -6.807 3.720 -2.925
30 HE ARG 5 HE ARG 5 -9.001 4.401 -4.646
31 HH11 ARG 5 1HH1 ARG 5 -7.349 1.802 -3.024
32 HH12 ARG 5 2HH1 ARG 5 -7.889 0.589 -4.137
33 HH21 ARG 5 1HH2 ARG 5 -9.718 2.814 -6.119
34 HH22 ARG 5 2HH2 ARG 5 -9.236 1.166 -5.898
35 H LYS 6 H LYS 6 -4.712 4.667 -0.441
36 HA LYS 6 HA LYS 6 -4.597 6.315 -2.771
37 HB2 LYS 6 1HB LYS 6 -4.543 8.109 -1.147
38 HB3 LYS 6 2HB LYS 6 -3.268 7.302 -0.243
39 HG2 LYS 6 1HG LYS 6 -1.661 7.758 -1.876
40 HG3 LYS 6 2HG LYS 6 -2.880 8.133 -3.096
41 HD2 LYS 6 1HD LYS 6 -1.964 10.207 -2.407
42 HD3 LYS 6 2HD LYS 6 -3.551 10.090 -1.645
43 HE2 LYS 6 1HE LYS 6 -2.564 9.466 0.449
44 HE3 LYS 6 2HE LYS 6 -0.968 9.340 -0.287
45 HZ1 LYS 6 3HZ LYS 6 -2.544 11.846 -0.061
46 HZ2 LYS 6 1HZ LYS 6 -0.981 11.703 -0.691
47 HZ3 LYS 6 2HZ LYS 6 -1.260 11.411 0.951
48 H VAL 7 H VAL 7 -2.662 6.065 -3.926
49 HA VAL 7 HA VAL 7 -0.987 3.850 -2.965
50 HB VAL 7 HB VAL 7 -2.075 3.408 -5.089
51 HG11 VAL 7 1HG1 VAL 7 -2.374 4.947 -6.665
52 HG12 VAL 7 2HG1 VAL 7 -1.630 6.122 -5.578
53 HG13 VAL 7 3HG1 VAL 7 -0.642 5.265 -6.761
54 HG21 VAL 7 3HG2 VAL 7 0.296 2.652 -4.621
55 HG22 VAL 7 1HG2 VAL 7 -0.191 2.677 -6.316
56 HG23 VAL 7 2HG2 VAL 7 0.824 3.967 -5.669
57 H TYR 8 H TYR 8 1.171 4.070 -2.702
58 HA TYR 8 HA TYR 8 2.329 6.715 -3.297
59 HB2 TYR 8 1HB TYR 8 2.174 5.301 -0.845
60 HB3 TYR 8 2HB TYR 8 3.863 5.289 -1.339
61 HD1 TYR 8 HD2 TYR 8 4.588 7.731 -2.357
62 HD2 TYR 8 HD1 TYR 8 1.591 7.010 0.577
63 HE1 TYR 8 HE2 TYR 8 4.850 10.033 -1.532
64 HE2 TYR 8 HE1 TYR 8 1.843 9.310 1.409
65 HH TYR 8 HH TYR 8 4.281 11.498 0.050
66 H GLU 9 H GLU 9 3.058 6.113 -5.358
67 HA GLU 9 HA GLU 9 4.566 3.801 -5.911
68 HB2 GLU 9 1HB GLU 9 5.039 4.776 -8.019
69 HB3 GLU 9 2HB GLU 9 3.425 5.318 -7.585
70 HG2 GLU 9 1HG GLU 9 4.436 7.444 -6.768
71 HG3 GLU 9 2HG GLU 9 5.978 6.896 -7.421
72 H ASN 10 H ASN 10 5.377 6.720 -4.324
73 HA ASN 10 HA ASN 10 8.113 6.922 -4.902
74 HB2 ASN 10 1HB ASN 10 6.413 8.448 -3.502
75 HB3 ASN 10 2HB ASN 10 7.189 7.612 -2.160
76 HD21 ASN 10 2HD2 ASN 10 7.603 9.851 -4.770
77 HD22 ASN 10 1HD2 ASN 10 9.156 10.439 -4.293
78 H TYR 11 H TYR 11 6.376 4.633 -3.049
79 HA TYR 11 HA TYR 11 8.597 3.844 -1.385
80 HB2 TYR 11 1HB TYR 11 5.781 2.933 -1.766
81 HB3 TYR 11 2HB TYR 11 6.928 1.811 -1.041
82 HD1 TYR 11 HD1 TYR 11 8.569 3.396 0.682
83 HD2 TYR 11 HD2 TYR 11 4.412 3.805 -0.127
84 HE1 TYR 11 HE1 TYR 11 8.256 4.481 2.867
85 HE2 TYR 11 HE2 TYR 11 4.088 4.893 2.054
86 HH TYR 11 HH TYR 11 6.703 5.128 4.396
87 HA PRO 12 HA PRO 12 10.511 0.925 -4.047
88 HB2 PRO 12 1HB PRO 12 11.328 -0.954 -2.267
89 HB3 PRO 12 2HB PRO 12 12.087 0.637 -2.399
90 HG2 PRO 12 1HG PRO 12 10.045 -0.331 -0.435
91 HG3 PRO 12 2HG PRO 12 11.490 0.658 -0.152
92 HD2 PRO 12 1HD PRO 12 9.006 1.722 -0.319
93 HD3 PRO 12 2HD PRO 12 10.456 2.593 -0.855
94 H VAL 13 H VAL 13 9.598 -0.476 -5.399
95 HA VAL 13 HA VAL 13 7.229 -1.907 -4.777
96 HB VAL 13 HB VAL 13 9.083 -2.402 -7.108
97 HG11 VAL 13 1HG1 VAL 13 6.890 -3.040 -8.201
98 HG12 VAL 13 2HG1 VAL 13 7.497 -4.148 -6.968
99 HG13 VAL 13 3HG1 VAL 13 6.189 -3.028 -6.583
100 HG21 VAL 13 3HG2 VAL 13 7.269 -0.165 -6.504
101 HG22 VAL 13 1HG2 VAL 13 8.662 -0.240 -7.582
102 HG23 VAL 13 2HG2 VAL 13 7.100 -0.862 -8.115
103 H SER 14 H SER 14 10.519 -2.578 -4.247
104 HA SER 14 HA SER 14 10.577 -5.374 -4.496
105 HB2 SER 14 1HB SER 14 12.148 -3.744 -2.491
106 HB3 SER 14 2HB SER 14 12.589 -5.305 -3.184
107 HG SER 14 HG SER 14 13.447 -4.272 -4.787
108 H LYS 15 H LYS 15 9.337 -3.283 -2.004
109 HA LYS 15 HA LYS 15 9.100 -5.351 -0.020
110 HB2 LYS 15 1HB LYS 15 7.715 -2.666 -0.086
111 HB3 LYS 15 2HB LYS 15 7.970 -3.693 1.319
112 HG2 LYS 15 1HG LYS 15 10.126 -2.319 -0.273
113 HG3 LYS 15 2HG LYS 15 9.508 -1.806 1.299
114 HD2 LYS 15 1HD LYS 15 10.290 -4.573 1.384
115 HD3 LYS 15 2HD LYS 15 11.620 -3.578 0.787
116 HE2 LYS 15 1HE LYS 15 10.730 -2.069 2.856
117 HE3 LYS 15 2HE LYS 15 10.382 -3.692 3.453
118 HZ1 LYS 15 3HZ LYS 15 12.528 -3.361 4.161
119 HZ2 LYS 15 1HZ LYS 15 12.977 -2.477 2.790
120 HZ3 LYS 15 2HZ LYS 15 12.796 -4.156 2.692
121 H CYS 16 H CYS 16 7.273 -4.321 -2.716
122 HA CYS 16 HA CYS 16 4.656 -4.817 -2.011
123 HB2 CYS 16 1HB CYS 16 5.292 -3.935 -4.199
124 HB3 CYS 16 2HB CYS 16 6.024 -5.479 -4.626
125 H GLN 17 H GLN 17 7.197 -7.118 -2.800
126 HA GLN 17 HA GLN 17 5.661 -9.428 -3.061
127 HB2 GLN 17 1HB GLN 17 8.423 -9.243 -1.850
128 HB3 GLN 17 2HB GLN 17 7.692 -10.663 -2.586
129 HG2 GLN 17 1HG GLN 17 8.573 -8.132 -3.941
130 HG3 GLN 17 2HG GLN 17 9.219 -9.759 -4.151
131 HE21 GLN 17 2HE2 GLN 17 7.667 -7.578 -5.791
132 HE22 GLN 17 1HE2 GLN 17 6.552 -8.534 -6.699
133 H LEU 18 H LEU 18 6.734 -7.712 -0.209
134 HA LEU 18 HA LEU 18 5.946 -9.814 1.602
135 HB2 LEU 18 1HB LEU 18 7.035 -7.051 1.888
136 HB3 LEU 18 2HB LEU 18 6.280 -7.830 3.277
137 HG LEU 18 HG LEU 18 8.833 -7.962 3.030
138 HD11 LEU 18 1HD1 LEU 18 8.275 -10.693 3.423
139 HD12 LEU 18 2HD1 LEU 18 6.880 -9.795 4.018
140 HD13 LEU 18 3HD1 LEU 18 8.489 -9.439 4.644
141 HD21 LEU 18 3HD2 LEU 18 8.819 -8.599 0.651
142 HD22 LEU 18 1HD2 LEU 18 8.044 -10.124 1.081
143 HD23 LEU 18 2HD2 LEU 18 9.674 -9.769 1.657
144 H ALA 19 H ALA 19 4.061 -10.021 2.667
145 HA ALA 19 HA ALA 19 1.891 -8.225 1.914
146 HB1 ALA 19 3HB ALA 19 0.683 -10.106 3.418
147 HB2 ALA 19 1HB ALA 19 0.990 -10.278 1.689
148 HB3 ALA 19 2HB ALA 19 2.091 -11.007 2.858
149 H ASN 20 H ASN 20 3.803 -9.118 4.687
150 HA ASN 20 HA ASN 20 2.066 -7.681 6.526
151 HB2 ASN 20 1HB ASN 20 3.546 -8.475 8.273
152 HB3 ASN 20 2HB ASN 20 3.143 -9.818 7.207
153 HD21 ASN 20 2HD2 ASN 20 5.388 -9.593 8.974
154 HD22 ASN 20 1HD2 ASN 20 6.811 -9.685 7.997
155 H GLN 21 H GLN 21 4.787 -7.087 4.563
156 HA GLN 21 HA GLN 21 5.925 -4.981 6.148
157 HB2 GLN 21 1HB GLN 21 7.215 -6.352 4.495
158 HB3 GLN 21 2HB GLN 21 6.335 -5.540 3.207
159 HG2 GLN 21 1HG GLN 21 8.248 -4.300 3.268
160 HG3 GLN 21 2HG GLN 21 7.223 -3.376 4.366
161 HE21 GLN 21 2HE2 GLN 21 8.835 -2.504 5.581
162 HE22 GLN 21 1HE2 GLN 21 9.872 -3.431 6.606
163 H CYS 22 H CYS 22 3.843 -5.154 3.285
164 HA CYS 22 HA CYS 22 3.676 -2.403 2.775
165 HB2 CYS 22 1HB CYS 22 2.376 -4.811 1.861
166 HB3 CYS 22 2HB CYS 22 1.190 -3.527 2.077
167 H ASN 23 H ASN 23 1.197 -4.440 4.342
168 HA ASN 23 HA ASN 23 -0.426 -2.387 5.249
169 HB2 ASN 23 1HB ASN 23 -1.558 -3.988 6.476
170 HB3 ASN 23 2HB ASN 23 -0.720 -4.998 5.301
171 HD21 ASN 23 2HD2 ASN 23 -1.435 -4.645 8.485
172 HD22 ASN 23 1HD2 ASN 23 -0.171 -5.600 9.173
173 H TYR 24 H TYR 24 2.580 -3.571 6.526
174 HA TYR 24 HA TYR 24 2.354 -2.458 9.128
175 HB2 TYR 24 1HB TYR 24 3.960 -4.185 8.817
176 HB3 TYR 24 2HB TYR 24 4.719 -3.336 7.474
177 HD1 TYR 24 HD1 TYR 24 3.818 -2.383 10.980
178 HD2 TYR 24 HD2 TYR 24 6.852 -2.657 8.009
179 HE1 TYR 24 HE1 TYR 24 5.427 -1.370 12.539
180 HE2 TYR 24 HE2 TYR 24 8.470 -1.644 9.561
181 HH TYR 24 HH TYR 24 8.838 -1.150 11.773
182 H ASP 25 H ASP 25 3.990 -1.340 6.174
183 HA ASP 25 HA ASP 25 4.854 1.122 7.296
184 HB2 ASP 25 1HB ASP 25 5.737 -0.113 5.202
185 HB3 ASP 25 2HB ASP 25 4.415 0.683 4.354
186 H CYS 26 H CYS 26 1.941 0.076 5.685
187 HA CYS 26 HA CYS 26 0.932 2.717 5.207
188 HB2 CYS 26 1HB CYS 26 -0.322 -0.025 5.106
189 HB3 CYS 26 2HB CYS 26 -1.239 1.446 4.795
190 H LYS 27 H LYS 27 0.049 0.120 7.482
191 HA LYS 27 HA LYS 27 -1.796 1.694 8.944
192 HB2 LYS 27 1HB LYS 27 -0.318 -0.843 9.649
193 HB3 LYS 27 2HB LYS 27 -1.547 -0.121 10.678
194 HG2 LYS 27 1HG LYS 27 -2.854 -0.257 8.299
195 HG3 LYS 27 2HG LYS 27 -1.826 -1.691 8.225
196 HD2 LYS 27 1HD LYS 27 -3.730 -0.982 10.457
197 HD3 LYS 27 2HD LYS 27 -3.993 -2.214 9.221
198 HE2 LYS 27 1HE LYS 27 -1.638 -3.055 10.147
199 HE3 LYS 27 2HE LYS 27 -2.222 -2.243 11.599
200 HZ1 LYS 27 3HZ LYS 27 -2.781 -4.741 11.130
201 HZ2 LYS 27 1HZ LYS 27 -4.034 -4.075 10.209
202 HZ3 LYS 27 2HZ LYS 27 -3.917 -3.721 11.858
203 H LEU 28 H LEU 28 1.560 1.768 8.810
204 HA LEU 28 HA LEU 28 2.050 2.522 11.542
205 HB2 LEU 28 1HB LEU 28 3.848 1.473 10.450
206 HB3 LEU 28 2HB LEU 28 3.707 2.520 9.040
207 HG LEU 28 HG LEU 28 4.356 3.914 11.543
208 HD11 LEU 28 1HD1 LEU 28 6.198 1.850 10.366
209 HD12 LEU 28 2HD1 LEU 28 5.683 2.030 12.044
210 HD13 LEU 28 3HD1 LEU 28 6.776 3.213 11.326
211 HD21 LEU 28 3HD2 LEU 28 5.050 4.003 8.657
212 HD22 LEU 28 1HD2 LEU 28 6.205 4.677 9.806
213 HD23 LEU 28 2HD2 LEU 28 4.555 5.300 9.746
214 H ASP 29 H ASP 29 2.437 4.298 8.470
215 HA ASP 29 HA ASP 29 2.151 6.813 9.928
216 HB2 ASP 29 1HB ASP 29 3.440 5.970 7.438
217 HB3 ASP 29 2HB ASP 29 2.545 7.478 7.281
218 H LYS 30 H LYS 30 0.778 5.226 7.051
219 HA LYS 30 HA LYS 30 -1.307 7.139 6.731
220 HB2 LYS 30 1HB LYS 30 -1.387 4.324 5.673
221 HB3 LYS 30 2HB LYS 30 -2.098 5.774 4.975
222 HG2 LYS 30 1HG LYS 30 0.826 5.076 5.113
223 HG3 LYS 30 2HG LYS 30 -0.194 5.130 3.674
224 HD2 LYS 30 1HD LYS 30 0.501 7.483 5.434
225 HD3 LYS 30 2HD LYS 30 1.217 7.127 3.861
226 HE2 LYS 30 1HE LYS 30 -1.213 7.170 2.997
227 HE3 LYS 30 2HE LYS 30 -1.578 7.997 4.510
228 HZ1 LYS 30 3HZ LYS 30 0.095 8.906 2.262
229 HZ2 LYS 30 1HZ LYS 30 0.354 9.527 3.816
230 HZ3 LYS 30 2HZ LYS 30 -1.149 9.725 3.065
231 H HIS 31 H HIS 31 -0.844 4.681 8.959
232 HA HIS 31 HA HIS 31 -2.183 3.581 10.442
233 HB2 HIS 31 1HB HIS 31 -3.803 6.102 10.039
234 HB3 HIS 31 2HB HIS 31 -4.090 4.935 11.325
235 HD1 HIS 31 HD1 HIS 31 -2.118 7.885 10.493
236 HD2 HIS 31 HD2 HIS 31 -1.853 4.735 13.190
237 HE1 HIS 31 HE1 HIS 31 -0.457 8.625 12.230
238 H ALA 32 H ALA 32 -2.626 3.064 7.581
239 HA ALA 32 HA ALA 32 -5.349 2.817 6.961
240 HB1 ALA 32 3HB ALA 32 -3.751 0.686 5.826
241 HB2 ALA 32 1HB ALA 32 -4.573 2.028 5.030
242 HB3 ALA 32 2HB ALA 32 -2.953 2.252 5.690
243 H ARG 33 H ARG 33 -5.768 0.169 6.280
244 HA ARG 33 HA ARG 33 -5.697 -1.260 8.849
245 HB2 ARG 33 1HB ARG 33 -8.108 -1.302 7.043
246 HB3 ARG 33 2HB ARG 33 -7.981 -1.868 8.703
247 HG2 ARG 33 1HG ARG 33 -7.772 1.014 7.862
248 HG3 ARG 33 2HG ARG 33 -9.240 0.244 8.467
249 HD2 ARG 33 1HD ARG 33 -6.763 0.017 10.094
250 HD3 ARG 33 2HD ARG 33 -7.592 1.572 10.062
251 HE ARG 33 HE ARG 33 -9.317 -0.664 10.614
252 HH11 ARG 33 1HH1 ARG 33 -7.182 1.724 11.976
253 HH12 ARG 33 2HH1 ARG 33 -7.903 1.662 13.550
254 HH21 ARG 33 1HH2 ARG 33 -10.276 -0.756 12.682
255 HH22 ARG 33 2HH2 ARG 33 -9.662 0.250 13.950
256 H SER 34 H SER 34 -6.116 -1.445 5.346
257 HA SER 34 HA SER 34 -5.083 -4.202 5.451
258 HB2 SER 34 1HB SER 34 -7.582 -3.856 4.794
259 HB3 SER 34 2HB SER 34 -6.925 -3.285 3.260
260 HG SER 34 HG SER 34 -7.201 -5.439 2.994
261 H GLY 35 H GLY 35 -3.481 -1.896 5.216
262 HA2 GLY 35 1HA GLY 35 -2.840 -1.009 2.688
263 HA3 GLY 35 2HA GLY 35 -1.667 -1.207 3.981
264 H GLU 36 H GLU 36 -2.407 -2.086 0.889
265 HA GLU 36 HA GLU 36 -0.402 -4.180 0.917
266 HB2 GLU 36 1HB GLU 36 -2.918 -5.059 1.207
267 HB3 GLU 36 2HB GLU 36 -2.879 -4.920 -0.545
268 HG2 GLU 36 1HG GLU 36 -2.304 -7.168 0.219
269 HG3 GLU 36 2HG GLU 36 -0.979 -6.406 -0.659
270 H CYS 37 H CYS 37 0.123 -4.902 -1.339
271 HA CYS 37 HA CYS 37 -0.065 -2.593 -3.144
272 HB2 CYS 37 1HB CYS 37 1.975 -3.297 -4.130
273 HB3 CYS 37 2HB CYS 37 2.199 -3.471 -2.393
274 H PHE 38 H PHE 38 -0.446 -2.915 -5.387
275 HA PHE 38 HA PHE 38 -1.178 -5.465 -6.438
276 HB2 PHE 38 1HB PHE 38 -3.271 -3.710 -5.314
277 HB3 PHE 38 2HB PHE 38 -3.600 -4.337 -6.925
278 HD1 PHE 38 HD1 PHE 38 -2.771 -6.985 -7.039
279 HD2 PHE 38 HD2 PHE 38 -4.304 -4.899 -3.661
280 HE1 PHE 38 HE1 PHE 38 -3.504 -9.118 -6.059
281 HE2 PHE 38 HE2 PHE 38 -5.039 -7.029 -2.674
282 HZ PHE 38 HZ PHE 38 -4.639 -9.143 -3.873
283 H TYR 39 H TYR 39 -1.727 -5.381 -8.689
284 HA TYR 39 HA TYR 39 -0.267 -3.501 -10.149
285 HB2 TYR 39 1HB TYR 39 -1.380 -4.456 -12.139
286 HB3 TYR 39 2HB TYR 39 -0.789 -5.703 -11.047
287 HD1 TYR 39 HD2 TYR 39 -3.826 -3.941 -12.207
288 HD2 TYR 39 HD1 TYR 39 -2.273 -7.262 -10.046
289 HE1 TYR 39 HE2 TYR 39 -6.070 -4.944 -12.147
290 HE2 TYR 39 HE1 TYR 39 -4.513 -8.275 -9.982
291 HH TYR 39 HH TYR 39 -7.173 -6.971 -11.809
292 H ASP 40 H ASP 40 -0.829 -1.712 -11.354
293 HA ASP 40 HA ASP 40 -3.424 -0.510 -10.667
294 HB2 ASP 40 1HB ASP 40 -2.272 1.649 -11.364
295 HB3 ASP 40 2HB ASP 40 -1.674 0.891 -9.891
296 H GLU 41 H GLU 41 -3.829 1.346 -12.501
297 HA GLU 41 HA GLU 41 -4.716 -0.096 -14.759
298 HB2 GLU 41 1HB GLU 41 -5.466 2.025 -15.625
299 HB3 GLU 41 2HB GLU 41 -5.790 1.970 -13.897
300 HG2 GLU 41 1HG GLU 41 -3.760 3.306 -13.501
301 HG3 GLU 41 2HG GLU 41 -3.518 3.413 -15.244
302 H LYS 42 H LYS 42 -1.724 1.387 -14.009
303 HA LYS 42 HA LYS 42 -0.902 1.537 -16.808
304 HB2 LYS 42 1HB LYS 42 0.703 2.230 -14.344
305 HB3 LYS 42 2HB LYS 42 1.077 2.659 -16.008
306 HG2 LYS 42 1HG LYS 42 -1.340 3.627 -14.497
307 HG3 LYS 42 2HG LYS 42 0.164 4.532 -14.680
308 HD2 LYS 42 1HD LYS 42 -0.118 4.543 -17.099
309 HD3 LYS 42 2HD LYS 42 -1.593 3.583 -16.945
310 HE2 LYS 42 1HE LYS 42 -2.725 5.362 -15.839
311 HE3 LYS 42 2HE LYS 42 -1.233 6.285 -15.664
312 HZ1 LYS 42 3HZ LYS 42 -3.066 6.319 -17.789
313 HZ2 LYS 42 1HZ LYS 42 -1.585 5.750 -18.377
314 HZ3 LYS 42 2HZ LYS 42 -1.665 7.247 -17.592
315 H ARG 43 H ARG 43 -1.406 -1.001 -15.252
316 HA ARG 43 HA ARG 43 -0.493 -3.071 -14.987
317 HB2 ARG 43 1HB ARG 43 1.083 -2.006 -17.323
318 HB3 ARG 43 2HB ARG 43 1.278 -3.651 -16.736
319 HG2 ARG 43 1HG ARG 43 -0.278 -4.054 -18.320
320 HG3 ARG 43 2HG ARG 43 -1.373 -3.625 -17.004
321 HD2 ARG 43 1HD ARG 43 -2.068 -2.429 -18.948
322 HD3 ARG 43 2HD ARG 43 -1.329 -1.273 -17.841
323 HE ARG 43 HE ARG 43 0.287 -0.874 -19.405
324 HH11 ARG 43 1HH1 ARG 43 -1.320 -3.862 -20.181
325 HH12 ARG 43 2HH1 ARG 43 -0.515 -4.052 -21.703
326 HH21 ARG 43 1HH2 ARG 43 1.354 -1.111 -21.407
327 HH22 ARG 43 2HH2 ARG 43 1.008 -2.487 -22.399
328 H ASN 44 H ASN 44 0.632 -0.861 -13.411
329 HA ASN 44 HA ASN 44 3.356 -1.892 -12.975
330 HB2 ASN 44 1HB ASN 44 2.145 0.827 -12.656
331 HB3 ASN 44 2HB ASN 44 3.500 0.370 -11.627
332 HD21 ASN 44 2HD2 ASN 44 3.789 2.456 -13.302
333 HD22 ASN 44 1HD2 ASN 44 4.848 2.047 -14.604
334 H LEU 45 H LEU 45 4.074 -2.192 -10.809
335 HA LEU 45 HA LEU 45 1.887 -2.889 -8.987
336 HB2 LEU 45 1HB LEU 45 4.759 -3.620 -8.569
337 HB3 LEU 45 2HB LEU 45 3.311 -4.431 -7.978
338 HG LEU 45 HG LEU 45 4.210 -4.409 -10.857
339 HD11 LEU 45 1HD1 LEU 45 5.598 -5.657 -9.007
340 HD12 LEU 45 2HD1 LEU 45 5.248 -6.422 -10.557
341 HD13 LEU 45 3HD1 LEU 45 4.290 -6.833 -9.135
342 HD21 LEU 45 3HD2 LEU 45 1.936 -4.796 -10.941
343 HD22 LEU 45 1HD2 LEU 45 1.912 -5.625 -9.385
344 HD23 LEU 45 2HD2 LEU 45 2.577 -6.434 -10.804
345 H GLN 46 H GLN 46 1.497 -1.734 -7.217
346 HA GLN 46 HA GLN 46 3.646 -0.201 -5.972
347 HB2 GLN 46 1HB GLN 46 1.004 1.111 -6.595
348 HB3 GLN 46 2HB GLN 46 2.465 1.866 -5.972
349 HG2 GLN 46 1HG GLN 46 3.585 1.559 -8.071
350 HG3 GLN 46 2HG GLN 46 2.226 0.631 -8.705
351 HE21 GLN 46 2HE2 GLN 46 3.640 3.360 -9.226
352 HE22 GLN 46 1HE2 GLN 46 2.307 4.426 -9.492
353 H CYS 47 H CYS 47 3.118 0.535 -3.809
354 HA CYS 47 HA CYS 47 1.320 -1.340 -2.481
355 HB2 CYS 47 1HB CYS 47 3.713 -0.956 -1.725
356 HB3 CYS 47 2HB CYS 47 3.195 0.636 -1.179
357 H ILE 48 H ILE 48 -0.722 -0.710 -2.269
358 HA ILE 48 HA ILE 48 -1.308 2.133 -1.841
359 HB ILE 48 HB ILE 48 -3.234 -0.092 -2.514
360 HG12 ILE 48 1HG1 ILE 48 -3.141 1.538 -4.705
361 HG13 ILE 48 2HG1 ILE 48 -1.462 1.573 -4.176
362 HG21 ILE 48 1HG2 ILE 48 -3.554 2.904 -2.474
363 HG22 ILE 48 2HG2 ILE 48 -4.753 1.769 -3.091
364 HG23 ILE 48 3HG2 ILE 48 -4.314 1.746 -1.383
365 HD11 ILE 48 3HD1 ILE 48 -2.264 -1.113 -4.079
366 HD12 ILE 48 1HD1 ILE 48 -2.870 -0.461 -5.601
367 HD13 ILE 48 2HD1 ILE 48 -1.152 -0.350 -5.215
368 H CYS 49 H CYS 49 -2.594 2.838 -0.133
369 HA CYS 49 HA CYS 49 -2.947 0.892 2.052
370 HB2 CYS 49 1HB CYS 49 -2.505 3.851 2.434
371 HB3 CYS 49 2HB CYS 49 -2.409 2.575 3.643
372 H ASP 50 H ASP 50 -4.835 0.950 3.235
373 HA ASP 50 HA ASP 50 -6.937 2.752 2.223
374 HB2 ASP 50 1HB ASP 50 -6.939 0.081 1.809
375 HB3 ASP 50 2HB ASP 50 -7.764 0.146 3.364
376 H TYR 51 H TYR 51 -7.542 4.144 3.732
377 HA TYR 51 HA TYR 51 -7.390 3.325 6.555
378 HB2 TYR 51 1HB TYR 51 -5.973 5.258 5.906
379 HB3 TYR 51 2HB TYR 51 -7.422 6.126 5.411
380 HD1 TYR 51 HD2 TYR 51 -6.889 4.003 8.422
381 HD2 TYR 51 HD1 TYR 51 -7.545 7.921 6.899
382 HE1 TYR 51 HE2 TYR 51 -7.164 4.842 10.717
383 HE2 TYR 51 HE1 TYR 51 -7.821 8.771 9.190
384 HH TYR 51 HH TYR 51 -6.983 6.952 11.938
385 H CYS 52 H CYS 52 -9.291 2.750 7.357
386 HA CYS 52 HA CYS 52 -11.726 4.035 6.335
387 HB2 CYS 52 1HB CYS 52 -11.287 1.449 7.834
388 HB3 CYS 52 2HB CYS 52 -12.883 2.120 7.516
389 H GLU 53 H GLU 53 -12.857 5.402 7.558
390 HA GLU 53 HA GLU 53 -12.121 5.640 10.398
391 HB2 GLU 53 1HB GLU 53 -11.613 7.643 9.116
392 HB3 GLU 53 2HB GLU 53 -13.260 7.702 8.505
393 HG2 GLU 53 1HG GLU 53 -13.097 9.324 10.212
394 HG3 GLU 53 2HG GLU 53 -14.032 7.981 10.869
395 H TYR 54 H TYR 54 -13.552 4.444 11.513
396 HA TYR 54 HA TYR 54 -16.336 4.322 10.750
397 HB2 TYR 54 1HB TYR 54 -14.603 2.970 12.755
398 HB3 TYR 54 2HB TYR 54 -16.327 3.047 13.099
399 HD1 TYR 54 HD1 TYR 54 -14.141 2.292 10.154
400 HD2 TYR 54 HD2 TYR 54 -17.546 1.205 12.462
401 HE1 TYR 54 HE1 TYR 54 -14.515 0.358 8.680
402 HE2 TYR 54 HE2 TYR 54 -17.929 -0.733 10.996
403 HH TYR 54 HH TYR 54 -17.348 -1.346 8.569
Start of MODEL 11
1 H1 ASP 2 H ASP 2 -17.861 4.372 3.195
2 HA ASP 2 HA ASP 2 -16.338 5.108 0.781
3 HB2 ASP 2 1HB ASP 2 -17.441 7.051 2.815
4 HB3 ASP 2 2HB ASP 2 -16.670 7.437 1.279
5 H CYS 3 H CYS 3 -14.243 4.808 1.106
6 HA CYS 3 HA CYS 3 -13.123 5.472 3.748
7 HB2 CYS 3 1HB CYS 3 -11.981 3.326 1.970
8 HB3 CYS 3 2HB CYS 3 -11.673 3.609 3.681
9 H LYS 4 H LYS 4 -10.637 5.710 3.555
10 HA LYS 4 HA LYS 4 -10.071 7.341 1.167
11 HB2 LYS 4 1HB LYS 4 -10.044 8.860 2.933
12 HB3 LYS 4 2HB LYS 4 -9.351 7.696 4.055
13 HG2 LYS 4 1HG LYS 4 -7.752 9.435 3.477
14 HG3 LYS 4 2HG LYS 4 -7.205 7.854 2.913
15 HD2 LYS 4 1HD LYS 4 -6.783 9.390 1.153
16 HD3 LYS 4 2HD LYS 4 -8.189 8.440 0.668
17 HE2 LYS 4 1HE LYS 4 -9.001 10.501 0.182
18 HE3 LYS 4 2HE LYS 4 -9.451 10.448 1.886
19 HZ1 LYS 4 3HZ LYS 4 -6.901 11.614 0.921
20 HZ2 LYS 4 1HZ LYS 4 -7.585 11.754 2.463
21 HZ3 LYS 4 2HZ LYS 4 -8.308 12.526 1.144
22 H ARG 5 H ARG 5 -8.628 6.479 -0.158
23 HA ARG 5 HA ARG 5 -6.446 4.868 0.989
24 HB2 ARG 5 1HB ARG 5 -6.534 3.460 -1.062
25 HB3 ARG 5 2HB ARG 5 -7.977 3.335 -0.065
26 HG2 ARG 5 1HG ARG 5 -8.895 3.495 -2.153
27 HG3 ARG 5 2HG ARG 5 -8.888 5.189 -1.662
28 HD2 ARG 5 1HD ARG 5 -7.149 5.730 -3.071
29 HD3 ARG 5 2HD ARG 5 -6.524 4.081 -3.102
30 HE ARG 5 HE ARG 5 -9.022 4.047 -4.322
31 HH11 ARG 5 1HH1 ARG 5 -5.880 5.448 -4.854
32 HH12 ARG 5 2HH1 ARG 5 -6.038 5.470 -6.579
33 HH21 ARG 5 1HH2 ARG 5 -9.242 4.070 -6.592
34 HH22 ARG 5 2HH2 ARG 5 -7.951 4.686 -7.567
35 H LYS 6 H LYS 6 -4.522 4.736 -0.414
36 HA LYS 6 HA LYS 6 -4.178 6.587 -2.558
37 HB2 LYS 6 1HB LYS 6 -4.113 8.245 -0.826
38 HB3 LYS 6 2HB LYS 6 -3.017 7.270 0.144
39 HG2 LYS 6 1HG LYS 6 -1.191 7.823 -1.107
40 HG3 LYS 6 2HG LYS 6 -2.138 8.093 -2.572
41 HD2 LYS 6 1HD LYS 6 -2.310 9.895 -0.168
42 HD3 LYS 6 2HD LYS 6 -1.148 10.153 -1.472
43 HE2 LYS 6 1HE LYS 6 -4.075 9.840 -2.043
44 HE3 LYS 6 2HE LYS 6 -3.407 11.397 -1.555
45 HZ1 LYS 6 3HZ LYS 6 -3.346 11.432 -3.866
46 HZ2 LYS 6 1HZ LYS 6 -2.821 9.828 -3.988
47 HZ3 LYS 6 2HZ LYS 6 -1.760 11.027 -3.443
48 H VAL 7 H VAL 7 -2.379 6.125 -3.747
49 HA VAL 7 HA VAL 7 -0.841 3.795 -2.888
50 HB VAL 7 HB VAL 7 -1.789 3.660 -5.108
51 HG11 VAL 7 1HG1 VAL 7 -1.006 6.401 -5.253
52 HG12 VAL 7 2HG1 VAL 7 -0.270 5.520 -6.592
53 HG13 VAL 7 3HG1 VAL 7 -2.019 5.477 -6.362
54 HG21 VAL 7 3HG2 VAL 7 1.125 4.144 -5.596
55 HG22 VAL 7 1HG2 VAL 7 0.596 2.832 -4.543
56 HG23 VAL 7 2HG2 VAL 7 0.085 2.871 -6.230
57 H TYR 8 H TYR 8 1.342 3.782 -2.588
58 HA TYR 8 HA TYR 8 2.674 6.409 -2.625
59 HB2 TYR 8 1HB TYR 8 2.306 4.899 -0.446
60 HB3 TYR 8 2HB TYR 8 3.803 4.174 -1.020
61 HD1 TYR 8 HD1 TYR 8 2.519 7.686 -0.855
62 HD2 TYR 8 HD2 TYR 8 5.612 4.950 0.173
63 HE1 TYR 8 HE1 TYR 8 3.795 9.522 0.169
64 HE2 TYR 8 HE2 TYR 8 6.896 6.779 1.202
65 HH TYR 8 HH TYR 8 5.825 10.127 0.979
66 H GLU 9 H GLU 9 3.339 6.205 -4.800
67 HA GLU 9 HA GLU 9 4.759 3.994 -5.823
68 HB2 GLU 9 1HB GLU 9 5.461 5.553 -7.622
69 HB3 GLU 9 2HB GLU 9 3.729 5.583 -7.321
70 HG2 GLU 9 1HG GLU 9 3.934 7.643 -6.089
71 HG3 GLU 9 2HG GLU 9 5.689 7.594 -6.241
72 H ASN 10 H ASN 10 5.669 6.452 -3.657
73 HA ASN 10 HA ASN 10 8.413 6.701 -4.255
74 HB2 ASN 10 1HB ASN 10 7.561 8.359 -2.836
75 HB3 ASN 10 2HB ASN 10 6.768 7.187 -1.788
76 HD21 ASN 10 2HD2 ASN 10 9.905 8.423 -2.794
77 HD22 ASN 10 1HD2 ASN 10 10.729 8.045 -1.322
78 H TYR 11 H TYR 11 6.586 4.246 -2.644
79 HA TYR 11 HA TYR 11 8.827 3.059 -1.291
80 HB2 TYR 11 1HB TYR 11 6.004 2.776 -1.232
81 HB3 TYR 11 2HB TYR 11 6.678 1.199 -1.632
82 HD1 TYR 11 HD2 TYR 11 7.886 3.929 0.616
83 HD2 TYR 11 HD1 TYR 11 6.626 -0.119 0.266
84 HE1 TYR 11 HE2 TYR 11 8.421 3.563 2.988
85 HE2 TYR 11 HE1 TYR 11 7.157 -0.496 2.637
86 HH TYR 11 HH TYR 11 8.792 1.930 4.562
87 HA PRO 12 HA PRO 12 10.445 0.622 -4.572
88 HB2 PRO 12 1HB PRO 12 11.516 -1.424 -3.144
89 HB3 PRO 12 2HB PRO 12 12.226 0.194 -3.185
90 HG2 PRO 12 1HG PRO 12 10.474 -1.053 -1.104
91 HG3 PRO 12 2HG PRO 12 11.927 -0.060 -0.893
92 HD2 PRO 12 1HD PRO 12 9.427 0.941 -0.615
93 HD3 PRO 12 2HD PRO 12 10.782 1.912 -1.227
94 H VAL 13 H VAL 13 9.775 -0.976 -5.908
95 HA VAL 13 HA VAL 13 7.324 -2.306 -5.381
96 HB VAL 13 HB VAL 13 9.303 -2.918 -7.579
97 HG11 VAL 13 1HG1 VAL 13 7.763 -4.650 -7.608
98 HG12 VAL 13 2HG1 VAL 13 6.432 -3.610 -7.097
99 HG13 VAL 13 3HG1 VAL 13 7.062 -3.495 -8.741
100 HG21 VAL 13 3HG2 VAL 13 7.833 -1.387 -8.934
101 HG22 VAL 13 1HG2 VAL 13 7.118 -0.854 -7.411
102 HG23 VAL 13 2HG2 VAL 13 8.835 -0.592 -7.719
103 H SER 14 H SER 14 10.552 -3.053 -4.625
104 HA SER 14 HA SER 14 10.422 -5.888 -4.726
105 HB2 SER 14 1HB SER 14 12.206 -4.129 -3.023
106 HB3 SER 14 2HB SER 14 12.468 -5.835 -3.381
107 HG SER 14 HG SER 14 12.770 -5.305 -5.538
108 H LYS 15 H LYS 15 9.466 -3.502 -2.376
109 HA LYS 15 HA LYS 15 9.192 -5.331 -0.190
110 HB2 LYS 15 1HB LYS 15 8.574 -2.474 -0.699
111 HB3 LYS 15 2HB LYS 15 7.626 -3.270 0.550
112 HG2 LYS 15 1HG LYS 15 9.597 -2.129 1.452
113 HG3 LYS 15 2HG LYS 15 9.637 -3.869 1.748
114 HD2 LYS 15 1HD LYS 15 11.463 -4.168 0.464
115 HD3 LYS 15 2HD LYS 15 10.917 -3.013 -0.753
116 HE2 LYS 15 1HE LYS 15 12.819 -2.011 0.148
117 HE3 LYS 15 2HE LYS 15 11.489 -1.216 0.989
118 HZ1 LYS 15 3HZ LYS 15 13.369 -1.932 2.435
119 HZ2 LYS 15 1HZ LYS 15 12.963 -3.538 2.096
120 HZ3 LYS 15 2HZ LYS 15 11.862 -2.541 2.903
121 H CYS 16 H CYS 16 7.243 -4.409 -2.878
122 HA CYS 16 HA CYS 16 4.667 -4.833 -1.993
123 HB2 CYS 16 1HB CYS 16 5.064 -4.039 -4.227
124 HB3 CYS 16 2HB CYS 16 5.923 -5.515 -4.655
125 H GLN 17 H GLN 17 7.147 -7.189 -2.765
126 HA GLN 17 HA GLN 17 5.572 -9.493 -2.887
127 HB2 GLN 17 1HB GLN 17 8.387 -9.276 -1.806
128 HB3 GLN 17 2HB GLN 17 7.612 -10.729 -2.424
129 HG2 GLN 17 1HG GLN 17 7.962 -8.306 -4.145
130 HG3 GLN 17 2HG GLN 17 9.257 -9.483 -3.937
131 HE21 GLN 17 2HE2 GLN 17 8.664 -11.760 -4.400
132 HE22 GLN 17 1HE2 GLN 17 7.593 -12.060 -5.721
133 H LEU 18 H LEU 18 6.846 -7.714 -0.144
134 HA LEU 18 HA LEU 18 6.123 -9.712 1.787
135 HB2 LEU 18 1HB LEU 18 7.169 -6.922 1.891
136 HB3 LEU 18 2HB LEU 18 6.469 -7.629 3.345
137 HG LEU 18 HG LEU 18 9.014 -7.744 3.029
138 HD11 LEU 18 1HD1 LEU 18 8.803 -9.180 4.701
139 HD12 LEU 18 2HD1 LEU 18 8.429 -10.473 3.563
140 HD13 LEU 18 3HD1 LEU 18 7.131 -9.483 4.229
141 HD21 LEU 18 3HD2 LEU 18 8.910 -8.520 0.680
142 HD22 LEU 18 1HD2 LEU 18 8.215 -10.040 1.244
143 HD23 LEU 18 2HD2 LEU 18 9.852 -9.587 1.723
144 H ALA 19 H ALA 19 4.275 -9.921 2.909
145 HA ALA 19 HA ALA 19 2.044 -8.195 2.172
146 HB1 ALA 19 3HB ALA 19 2.336 -10.937 3.203
147 HB2 ALA 19 1HB ALA 19 0.933 -10.043 3.789
148 HB3 ALA 19 2HB ALA 19 1.174 -10.270 2.056
149 H ASN 20 H ASN 20 4.047 -8.983 4.922
150 HA ASN 20 HA ASN 20 2.352 -7.510 6.766
151 HB2 ASN 20 1HB ASN 20 3.931 -8.195 8.480
152 HB3 ASN 20 2HB ASN 20 3.507 -9.586 7.488
153 HD21 ASN 20 2HD2 ASN 20 5.751 -9.595 9.050
154 HD22 ASN 20 1HD2 ASN 20 7.157 -9.568 8.046
155 H GLN 21 H GLN 21 4.899 -6.866 4.632
156 HA GLN 21 HA GLN 21 6.050 -4.678 6.116
157 HB2 GLN 21 1HB GLN 21 7.404 -6.014 4.549
158 HB3 GLN 21 2HB GLN 21 6.397 -5.461 3.217
159 HG2 GLN 21 1HG GLN 21 8.084 -3.982 2.989
160 HG3 GLN 21 2HG GLN 21 7.124 -3.090 4.168
161 HE21 GLN 21 2HE2 GLN 21 8.731 -2.015 5.181
162 HE22 GLN 21 1HE2 GLN 21 9.997 -2.778 6.075
163 H CYS 22 H CYS 22 3.872 -5.056 3.351
164 HA CYS 22 HA CYS 22 3.605 -2.336 2.715
165 HB2 CYS 22 1HB CYS 22 2.383 -4.820 1.934
166 HB3 CYS 22 2HB CYS 22 1.138 -3.596 2.161
167 H ASN 23 H ASN 23 1.244 -4.379 4.446
168 HA ASN 23 HA ASN 23 -0.419 -2.339 5.313
169 HB2 ASN 23 1HB ASN 23 -1.507 -3.947 6.513
170 HB3 ASN 23 2HB ASN 23 -0.507 -5.011 5.529
171 HD21 ASN 23 2HD2 ASN 23 1.710 -5.438 6.512
172 HD22 ASN 23 1HD2 ASN 23 1.732 -5.792 8.202
173 H TYR 24 H TYR 24 2.662 -3.372 6.546
174 HA TYR 24 HA TYR 24 2.469 -2.141 9.101
175 HB2 TYR 24 1HB TYR 24 4.107 -3.846 8.839
176 HB3 TYR 24 2HB TYR 24 4.812 -3.054 7.433
177 HD1 TYR 24 HD1 TYR 24 3.944 -1.805 10.848
178 HD2 TYR 24 HD2 TYR 24 6.979 -2.434 7.934
179 HE1 TYR 24 HE1 TYR 24 5.570 -0.677 12.308
180 HE2 TYR 24 HE2 TYR 24 8.615 -1.308 9.386
181 HH TYR 24 HH TYR 24 8.197 0.622 11.477
182 H ASP 25 H ASP 25 3.994 -1.138 6.049
183 HA ASP 25 HA ASP 25 4.828 1.398 7.029
184 HB2 ASP 25 1HB ASP 25 6.027 0.566 5.171
185 HB3 ASP 25 2HB ASP 25 4.553 0.233 4.266
186 H CYS 26 H CYS 26 1.896 0.187 5.606
187 HA CYS 26 HA CYS 26 0.817 2.782 4.987
188 HB2 CYS 26 1HB CYS 26 -0.329 -0.005 5.010
189 HB3 CYS 26 2HB CYS 26 -1.336 1.408 4.712
190 H LYS 27 H LYS 27 0.117 0.287 7.429
191 HA LYS 27 HA LYS 27 -1.771 1.871 8.842
192 HB2 LYS 27 1HB LYS 27 -0.205 -0.591 9.618
193 HB3 LYS 27 2HB LYS 27 -1.409 0.151 10.663
194 HG2 LYS 27 1HG LYS 27 -2.824 -0.119 8.372
195 HG3 LYS 27 2HG LYS 27 -1.748 -1.515 8.274
196 HD2 LYS 27 1HD LYS 27 -3.561 -0.820 10.586
197 HD3 LYS 27 2HD LYS 27 -3.829 -2.101 9.400
198 HE2 LYS 27 1HE LYS 27 -2.795 -3.432 10.870
199 HE3 LYS 27 2HE LYS 27 -1.310 -2.664 10.309
200 HZ1 LYS 27 3HZ LYS 27 -1.086 -1.512 12.209
201 HZ2 LYS 27 1HZ LYS 27 -2.070 -2.725 12.859
202 HZ3 LYS 27 2HZ LYS 27 -2.747 -1.246 12.393
203 H LEU 28 H LEU 28 1.585 2.017 8.639
204 HA LEU 28 HA LEU 28 2.102 2.932 11.316
205 HB2 LEU 28 1HB LEU 28 3.890 1.850 10.206
206 HB3 LEU 28 2HB LEU 28 3.727 2.883 8.788
207 HG LEU 28 HG LEU 28 4.393 4.270 11.302
208 HD11 LEU 28 1HD1 LEU 28 6.090 2.118 10.157
209 HD12 LEU 28 2HD1 LEU 28 5.898 2.640 11.830
210 HD13 LEU 28 3HD1 LEU 28 6.874 3.596 10.715
211 HD21 LEU 28 3HD2 LEU 28 6.184 4.811 9.197
212 HD22 LEU 28 1HD2 LEU 28 4.857 5.815 9.780
213 HD23 LEU 28 2HD2 LEU 28 4.581 4.660 8.476
214 H ASP 29 H ASP 29 2.402 4.549 8.147
215 HA ASP 29 HA ASP 29 2.072 7.131 9.472
216 HB2 ASP 29 1HB ASP 29 3.175 6.218 6.862
217 HB3 ASP 29 2HB ASP 29 2.473 7.832 6.924
218 H LYS 30 H LYS 30 0.686 5.337 6.728
219 HA LYS 30 HA LYS 30 -1.440 7.185 6.315
220 HB2 LYS 30 1HB LYS 30 -0.567 4.620 5.191
221 HB3 LYS 30 2HB LYS 30 -2.313 4.827 5.203
222 HG2 LYS 30 1HG LYS 30 -0.625 7.049 4.176
223 HG3 LYS 30 2HG LYS 30 -0.859 5.619 3.168
224 HD2 LYS 30 1HD LYS 30 -2.640 6.885 2.484
225 HD3 LYS 30 2HD LYS 30 -3.388 6.000 3.815
226 HE2 LYS 30 1HE LYS 30 -2.086 8.400 4.753
227 HE3 LYS 30 2HE LYS 30 -3.258 8.766 3.489
228 HZ1 LYS 30 3HZ LYS 30 -4.225 6.892 5.443
229 HZ2 LYS 30 1HZ LYS 30 -4.953 8.292 4.834
230 HZ3 LYS 30 2HZ LYS 30 -3.841 8.401 6.103
231 H HIS 31 H HIS 31 -0.892 4.887 8.695
232 HA HIS 31 HA HIS 31 -2.184 3.871 10.276
233 HB2 HIS 31 1HB HIS 31 -3.740 6.397 9.732
234 HB3 HIS 31 2HB HIS 31 -4.183 5.272 11.012
235 HD1 HIS 31 HD1 HIS 31 -2.303 4.913 12.906
236 HD2 HIS 31 HD2 HIS 31 -1.795 8.190 10.403
237 HE1 HIS 31 HE1 HIS 31 -0.658 6.408 14.082
238 H ALA 32 H ALA 32 -2.686 3.188 7.445
239 HA ALA 32 HA ALA 32 -5.422 2.841 6.934
240 HB1 ALA 32 3HB ALA 32 -3.078 2.316 5.583
241 HB2 ALA 32 1HB ALA 32 -3.763 0.713 5.853
242 HB3 ALA 32 2HB ALA 32 -4.708 1.948 5.019
243 H ARG 33 H ARG 33 -5.746 0.133 6.380
244 HA ARG 33 HA ARG 33 -5.539 -1.175 9.003
245 HB2 ARG 33 1HB ARG 33 -7.845 -0.075 8.407
246 HB3 ARG 33 2HB ARG 33 -8.033 -1.488 7.377
247 HG2 ARG 33 1HG ARG 33 -7.463 -2.842 9.488
248 HG3 ARG 33 2HG ARG 33 -7.822 -1.349 10.357
249 HD2 ARG 33 1HD ARG 33 -10.049 -1.296 9.385
250 HD3 ARG 33 2HD ARG 33 -9.691 -2.743 8.443
251 HE ARG 33 HE ARG 33 -10.036 -4.021 10.320
252 HH11 ARG 33 1HH1 ARG 33 -9.823 -0.664 11.215
253 HH12 ARG 33 2HH1 ARG 33 -10.345 -0.931 12.846
254 HH21 ARG 33 1HH2 ARG 33 -10.724 -4.385 12.464
255 HH22 ARG 33 2HH2 ARG 33 -10.855 -3.048 13.555
256 H SER 34 H SER 34 -6.121 -1.505 5.535
257 HA SER 34 HA SER 34 -5.030 -4.238 5.695
258 HB2 SER 34 1HB SER 34 -7.238 -3.229 3.885
259 HB3 SER 34 2HB SER 34 -6.481 -4.817 3.752
260 HG SER 34 HG SER 34 -8.532 -4.250 5.197
261 H GLY 35 H GLY 35 -3.467 -1.935 5.313
262 HA2 GLY 35 1HA GLY 35 -2.948 -1.099 2.746
263 HA3 GLY 35 2HA GLY 35 -1.710 -1.284 3.979
264 H GLU 36 H GLU 36 -2.318 -2.034 0.923
265 HA GLU 36 HA GLU 36 -0.454 -4.230 0.924
266 HB2 GLU 36 1HB GLU 36 -2.947 -5.083 1.225
267 HB3 GLU 36 2HB GLU 36 -2.998 -4.832 -0.513
268 HG2 GLU 36 1HG GLU 36 -2.439 -7.141 0.111
269 HG3 GLU 36 2HG GLU 36 -1.179 -6.362 -0.845
270 H CYS 37 H CYS 37 0.044 -4.937 -1.349
271 HA CYS 37 HA CYS 37 -0.056 -2.589 -3.110
272 HB2 CYS 37 1HB CYS 37 1.946 -3.390 -4.138
273 HB3 CYS 37 2HB CYS 37 2.178 -3.520 -2.397
274 H PHE 38 H PHE 38 -0.424 -2.867 -5.368
275 HA PHE 38 HA PHE 38 -1.246 -5.358 -6.472
276 HB2 PHE 38 1HB PHE 38 -3.284 -3.593 -5.278
277 HB3 PHE 38 2HB PHE 38 -3.640 -4.135 -6.914
278 HD1 PHE 38 HD1 PHE 38 -2.849 -6.805 -7.134
279 HD2 PHE 38 HD2 PHE 38 -4.388 -4.820 -3.697
280 HE1 PHE 38 HE1 PHE 38 -3.642 -8.960 -6.248
281 HE2 PHE 38 HE2 PHE 38 -5.183 -6.970 -2.806
282 HZ PHE 38 HZ PHE 38 -4.810 -9.044 -4.081
283 H TYR 39 H TYR 39 -1.891 -5.174 -8.718
284 HA TYR 39 HA TYR 39 -0.388 -3.225 -10.109
285 HB2 TYR 39 1HB TYR 39 -1.388 -4.205 -12.140
286 HB3 TYR 39 2HB TYR 39 -0.773 -5.440 -11.047
287 HD1 TYR 39 HD2 TYR 39 -3.801 -3.900 -12.446
288 HD2 TYR 39 HD1 TYR 39 -2.264 -6.987 -9.954
289 HE1 TYR 39 HE2 TYR 39 -5.997 -5.008 -12.474
290 HE2 TYR 39 HE1 TYR 39 -4.456 -8.104 -9.977
291 HH TYR 39 HH TYR 39 -6.586 -7.967 -10.607
292 H ASP 40 H ASP 40 -0.938 -1.327 -11.020
293 HA ASP 40 HA ASP 40 -3.618 -0.303 -10.453
294 HB2 ASP 40 1HB ASP 40 -2.566 1.911 -11.114
295 HB3 ASP 40 2HB ASP 40 -1.915 1.153 -9.663
296 H GLU 41 H GLU 41 -4.108 1.555 -12.261
297 HA GLU 41 HA GLU 41 -5.004 0.142 -14.509
298 HB2 GLU 41 1HB GLU 41 -5.785 2.221 -15.348
299 HB3 GLU 41 2HB GLU 41 -5.928 2.312 -13.598
300 HG2 GLU 41 1HG GLU 41 -3.734 3.525 -13.578
301 HG3 GLU 41 2HG GLU 41 -3.840 3.596 -15.336
302 H LYS 42 H LYS 42 -1.982 1.649 -13.830
303 HA LYS 42 HA LYS 42 -1.180 1.639 -16.639
304 HB2 LYS 42 1HB LYS 42 0.100 2.690 -14.123
305 HB3 LYS 42 2HB LYS 42 0.986 2.582 -15.640
306 HG2 LYS 42 1HG LYS 42 -1.131 3.901 -16.536
307 HG3 LYS 42 2HG LYS 42 -1.212 4.404 -14.847
308 HD2 LYS 42 1HD LYS 42 1.270 4.615 -16.544
309 HD3 LYS 42 2HD LYS 42 0.106 5.927 -16.341
310 HE2 LYS 42 1HE LYS 42 0.476 5.777 -13.880
311 HE3 LYS 42 2HE LYS 42 1.755 4.604 -14.190
312 HZ1 LYS 42 3HZ LYS 42 2.588 6.880 -13.891
313 HZ2 LYS 42 1HZ LYS 42 1.716 7.376 -15.253
314 HZ3 LYS 42 2HZ LYS 42 2.971 6.254 -15.415
315 H ARG 43 H ARG 43 -1.659 -0.807 -14.937
316 HA ARG 43 HA ARG 43 -0.729 -2.850 -14.547
317 HB2 ARG 43 1HB ARG 43 0.643 -1.888 -17.028
318 HB3 ARG 43 2HB ARG 43 1.146 -3.406 -16.297
319 HG2 ARG 43 1HG ARG 43 -1.727 -2.861 -16.952
320 HG3 ARG 43 2HG ARG 43 -0.600 -3.490 -18.156
321 HD2 ARG 43 1HD ARG 43 -1.208 -4.761 -15.489
322 HD3 ARG 43 2HD ARG 43 -1.867 -5.277 -17.041
323 HE ARG 43 HE ARG 43 0.793 -5.396 -17.457
324 HH11 ARG 43 1HH1 ARG 43 -1.268 -6.648 -14.946
325 HH12 ARG 43 2HH1 ARG 43 -0.262 -8.022 -14.625
326 HH21 ARG 43 1HH2 ARG 43 2.126 -7.201 -17.044
327 HH22 ARG 43 2HH2 ARG 43 1.668 -8.335 -15.818
328 H ASN 44 H ASN 44 0.401 -0.550 -13.121
329 HA ASN 44 HA ASN 44 3.173 -1.444 -12.730
330 HB2 ASN 44 1HB ASN 44 1.811 1.166 -12.529
331 HB3 ASN 44 2HB ASN 44 2.974 0.833 -11.249
332 HD21 ASN 44 2HD2 ASN 44 3.101 2.803 -13.364
333 HD22 ASN 44 1HD2 ASN 44 4.541 2.469 -14.258
334 H LEU 45 H LEU 45 3.838 -2.278 -10.826
335 HA LEU 45 HA LEU 45 1.788 -2.903 -8.860
336 HB2 LEU 45 1HB LEU 45 4.659 -3.745 -8.703
337 HB3 LEU 45 2HB LEU 45 3.235 -4.540 -8.034
338 HG LEU 45 HG LEU 45 3.852 -4.373 -10.981
339 HD11 LEU 45 1HD1 LEU 45 5.465 -5.851 -10.504
340 HD12 LEU 45 2HD1 LEU 45 4.133 -6.987 -10.289
341 HD13 LEU 45 3HD1 LEU 45 4.832 -6.175 -8.889
342 HD21 LEU 45 3HD2 LEU 45 2.005 -5.660 -11.347
343 HD22 LEU 45 1HD2 LEU 45 1.454 -4.753 -9.939
344 HD23 LEU 45 2HD2 LEU 45 2.061 -6.397 -9.746
345 H GLN 46 H GLN 46 1.432 -1.545 -7.242
346 HA GLN 46 HA GLN 46 3.731 -0.325 -5.891
347 HB2 GLN 46 1HB GLN 46 1.207 1.230 -6.426
348 HB3 GLN 46 2HB GLN 46 2.745 1.832 -5.821
349 HG2 GLN 46 1HG GLN 46 3.583 0.897 -8.162
350 HG3 GLN 46 2HG GLN 46 1.901 1.212 -8.587
351 HE21 GLN 46 2HE2 GLN 46 1.103 3.412 -7.876
352 HE22 GLN 46 1HE2 GLN 46 2.176 4.741 -8.133
353 H CYS 47 H CYS 47 3.173 0.510 -3.717
354 HA CYS 47 HA CYS 47 1.327 -1.337 -2.414
355 HB2 CYS 47 1HB CYS 47 3.712 -1.006 -1.623
356 HB3 CYS 47 2HB CYS 47 3.228 0.600 -1.090
357 H ILE 48 H ILE 48 -0.706 -0.666 -2.230
358 HA ILE 48 HA ILE 48 -1.233 2.187 -1.778
359 HB ILE 48 HB ILE 48 -3.205 0.036 -2.549
360 HG12 ILE 48 1HG1 ILE 48 -2.979 1.675 -4.723
361 HG13 ILE 48 2HG1 ILE 48 -1.319 1.651 -4.136
362 HG21 ILE 48 1HG2 ILE 48 -4.590 1.641 -1.763
363 HG22 ILE 48 2HG2 ILE 48 -3.398 2.924 -1.967
364 HG23 ILE 48 3HG2 ILE 48 -4.312 2.340 -3.358
365 HD11 ILE 48 3HD1 ILE 48 -1.974 -0.988 -4.051
366 HD12 ILE 48 1HD1 ILE 48 -2.882 -0.432 -5.456
367 HD13 ILE 48 2HD1 ILE 48 -1.136 -0.189 -5.382
368 H CYS 49 H CYS 49 -2.451 2.903 -0.056
369 HA CYS 49 HA CYS 49 -2.855 0.939 2.099
370 HB2 CYS 49 1HB CYS 49 -2.659 3.928 2.451
371 HB3 CYS 49 2HB CYS 49 -2.492 2.676 3.678
372 H ASP 50 H ASP 50 -4.784 0.844 3.195
373 HA ASP 50 HA ASP 50 -6.976 2.501 2.130
374 HB2 ASP 50 1HB ASP 50 -6.927 -0.451 2.736
375 HB3 ASP 50 2HB ASP 50 -8.436 0.455 2.643
376 H TYR 51 H TYR 51 -7.727 3.807 3.649
377 HA TYR 51 HA TYR 51 -7.780 2.842 6.434
378 HB2 TYR 51 1HB TYR 51 -6.165 4.677 6.094
379 HB3 TYR 51 2HB TYR 51 -7.460 5.692 5.470
380 HD1 TYR 51 HD2 TYR 51 -7.361 3.421 8.430
381 HD2 TYR 51 HD1 TYR 51 -7.763 7.408 7.000
382 HE1 TYR 51 HE2 TYR 51 -7.856 4.183 10.715
383 HE2 TYR 51 HE1 TYR 51 -8.257 8.182 9.282
384 HH TYR 51 HH TYR 51 -7.595 6.523 11.971
385 H CYS 52 H CYS 52 -9.786 2.381 7.028
386 HA CYS 52 HA CYS 52 -11.957 4.164 6.136
387 HB2 CYS 52 1HB CYS 52 -11.777 1.625 5.319
388 HB3 CYS 52 2HB CYS 52 -12.584 1.346 6.858
389 H GLU 53 H GLU 53 -13.205 5.025 7.683
390 HA GLU 53 HA GLU 53 -12.813 4.060 10.439
391 HB2 GLU 53 1HB GLU 53 -12.074 6.439 9.755
392 HB3 GLU 53 2HB GLU 53 -13.791 6.812 9.728
393 HG2 GLU 53 1HG GLU 53 -14.027 6.424 12.027
394 HG3 GLU 53 2HG GLU 53 -12.475 5.596 12.130
395 H TYR 54 H TYR 54 -14.479 2.702 10.801
396 HA TYR 54 HA TYR 54 -17.100 3.114 9.754
397 HB2 TYR 54 1HB TYR 54 -15.837 1.165 11.634
398 HB3 TYR 54 2HB TYR 54 -17.593 1.282 11.592
399 HD1 TYR 54 HD2 TYR 54 -18.699 1.085 9.247
400 HD2 TYR 54 HD1 TYR 54 -14.740 -0.207 10.114
401 HE1 TYR 54 HE2 TYR 54 -18.754 -0.385 7.275
402 HE2 TYR 54 HE1 TYR 54 -14.782 -1.680 8.144
403 HH TYR 54 HH TYR 54 -17.330 -1.540 5.800
Start of MODEL 12
1 H1 ASP 2 H ASP 2 -18.759 4.361 3.769
2 HA ASP 2 HA ASP 2 -16.925 4.688 1.884
3 HB2 ASP 2 1HB ASP 2 -17.567 6.804 3.949
4 HB3 ASP 2 2HB ASP 2 -16.856 7.110 2.367
5 H CYS 3 H CYS 3 -14.812 4.413 1.698
6 HA CYS 3 HA CYS 3 -13.092 5.064 3.998
7 HB2 CYS 3 1HB CYS 3 -12.503 2.790 2.112
8 HB3 CYS 3 2HB CYS 3 -11.784 3.119 3.684
9 H LYS 4 H LYS 4 -10.706 5.146 3.236
10 HA LYS 4 HA LYS 4 -10.571 6.487 0.617
11 HB2 LYS 4 1HB LYS 4 -8.753 7.923 1.733
12 HB3 LYS 4 2HB LYS 4 -10.432 8.282 2.114
13 HG2 LYS 4 1HG LYS 4 -10.223 7.036 4.207
14 HG3 LYS 4 2HG LYS 4 -8.536 6.685 3.825
15 HD2 LYS 4 1HD LYS 4 -8.312 8.519 5.198
16 HD3 LYS 4 2HD LYS 4 -8.353 9.286 3.609
17 HE2 LYS 4 1HE LYS 4 -10.669 9.851 3.876
18 HE3 LYS 4 2HE LYS 4 -10.773 8.917 5.367
19 HZ1 LYS 4 3HZ LYS 4 -10.516 11.032 6.166
20 HZ2 LYS 4 1HZ LYS 4 -9.514 11.527 4.896
21 HZ3 LYS 4 2HZ LYS 4 -8.899 10.534 6.118
22 H ARG 5 H ARG 5 -8.545 6.374 -0.471
23 HA ARG 5 HA ARG 5 -6.547 4.540 0.600
24 HB2 ARG 5 1HB ARG 5 -6.530 3.267 -1.572
25 HB3 ARG 5 2HB ARG 5 -7.942 2.994 -0.559
26 HG2 ARG 5 1HG ARG 5 -9.347 4.174 -1.973
27 HG3 ARG 5 2HG ARG 5 -8.012 5.044 -2.732
28 HD2 ARG 5 1HD ARG 5 -8.850 3.410 -4.281
29 HD3 ARG 5 2HD ARG 5 -7.253 2.906 -3.731
30 HE ARG 5 HE ARG 5 -9.319 1.748 -2.153
31 HH11 ARG 5 1HH1 ARG 5 -7.662 1.489 -5.204
32 HH12 ARG 5 2HH1 ARG 5 -7.976 -0.207 -5.378
33 HH21 ARG 5 1HH2 ARG 5 -9.737 -0.484 -2.371
34 HH22 ARG 5 2HH2 ARG 5 -9.157 -1.328 -3.766
35 H LYS 6 H LYS 6 -4.551 4.536 -0.665
36 HA LYS 6 HA LYS 6 -4.158 6.467 -2.737
37 HB2 LYS 6 1HB LYS 6 -4.199 8.060 -0.951
38 HB3 LYS 6 2HB LYS 6 -3.148 7.061 0.044
39 HG2 LYS 6 1HG LYS 6 -1.263 7.713 -1.040
40 HG3 LYS 6 2HG LYS 6 -2.097 7.953 -2.578
41 HD2 LYS 6 1HD LYS 6 -1.546 10.117 -1.884
42 HD3 LYS 6 2HD LYS 6 -3.240 9.939 -1.425
43 HE2 LYS 6 1HE LYS 6 -2.290 9.156 0.850
44 HE3 LYS 6 2HE LYS 6 -0.795 9.918 0.308
45 HZ1 LYS 6 3HZ LYS 6 -2.377 11.910 -0.166
46 HZ2 LYS 6 1HZ LYS 6 -1.813 11.631 1.405
47 HZ3 LYS 6 2HZ LYS 6 -3.375 11.154 0.970
48 H VAL 7 H VAL 7 -2.313 6.072 -3.872
49 HA VAL 7 HA VAL 7 -0.697 3.804 -2.953
50 HB VAL 7 HB VAL 7 -1.676 3.500 -5.142
51 HG11 VAL 7 1HG1 VAL 7 -1.978 5.181 -6.558
52 HG12 VAL 7 2HG1 VAL 7 -1.142 6.256 -5.437
53 HG13 VAL 7 3HG1 VAL 7 -0.236 5.413 -6.694
54 HG21 VAL 7 3HG2 VAL 7 0.620 2.647 -4.695
55 HG22 VAL 7 1HG2 VAL 7 0.294 2.952 -6.401
56 HG23 VAL 7 2HG2 VAL 7 1.263 4.094 -5.470
57 H TYR 8 H TYR 8 1.487 3.916 -2.694
58 HA TYR 8 HA TYR 8 2.673 6.605 -2.851
59 HB2 TYR 8 1HB TYR 8 2.584 4.749 -0.738
60 HB3 TYR 8 2HB TYR 8 4.246 4.737 -1.315
61 HD1 TYR 8 HD2 TYR 8 5.041 7.318 -1.909
62 HD2 TYR 8 HD1 TYR 8 2.229 6.139 1.057
63 HE1 TYR 8 HE2 TYR 8 5.492 9.391 -0.666
64 HE2 TYR 8 HE1 TYR 8 2.671 8.209 2.308
65 HH TYR 8 HH TYR 8 4.900 10.670 1.059
66 H GLU 9 H GLU 9 3.442 6.585 -4.937
67 HA GLU 9 HA GLU 9 4.726 4.472 -6.226
68 HB2 GLU 9 1HB GLU 9 5.649 6.189 -7.741
69 HB3 GLU 9 2HB GLU 9 3.932 6.414 -7.444
70 HG2 GLU 9 1HG GLU 9 4.701 8.061 -5.612
71 HG3 GLU 9 2HG GLU 9 6.242 8.036 -6.468
72 H ASN 10 H ASN 10 5.933 6.824 -3.945
73 HA ASN 10 HA ASN 10 8.685 6.529 -4.398
74 HB2 ASN 10 1HB ASN 10 7.046 7.383 -2.032
75 HB3 ASN 10 2HB ASN 10 8.790 7.189 -1.876
76 HD21 ASN 10 2HD2 ASN 10 6.281 8.844 -3.710
77 HD22 ASN 10 1HD2 ASN 10 7.232 10.231 -4.106
78 H TYR 11 H TYR 11 6.385 4.484 -2.821
79 HA TYR 11 HA TYR 11 8.142 2.995 -1.192
80 HB2 TYR 11 1HB TYR 11 5.449 3.059 -1.508
81 HB3 TYR 11 2HB TYR 11 5.832 1.563 -2.351
82 HD1 TYR 11 HD2 TYR 11 6.320 3.324 0.889
83 HD2 TYR 11 HD1 TYR 11 6.197 -0.409 -1.148
84 HE1 TYR 11 HE2 TYR 11 6.446 2.149 3.046
85 HE2 TYR 11 HE1 TYR 11 6.321 -1.594 1.003
86 HH TYR 11 HH TYR 11 7.228 -1.030 3.365
87 HA PRO 12 HA PRO 12 10.359 0.648 -4.199
88 HB2 PRO 12 1HB PRO 12 11.269 -1.312 -2.555
89 HB3 PRO 12 2HB PRO 12 11.930 0.327 -2.553
90 HG2 PRO 12 1HG PRO 12 9.929 -0.912 -0.702
91 HG3 PRO 12 2HG PRO 12 11.307 0.137 -0.321
92 HD2 PRO 12 1HD PRO 12 8.765 1.059 -0.445
93 HD3 PRO 12 2HD PRO 12 10.165 2.056 -0.889
94 H VAL 13 H VAL 13 9.813 -0.907 -5.608
95 HA VAL 13 HA VAL 13 7.403 -2.370 -5.307
96 HB VAL 13 HB VAL 13 9.607 -2.800 -7.328
97 HG11 VAL 13 1HG1 VAL 13 7.751 -3.733 -8.707
98 HG12 VAL 13 2HG1 VAL 13 8.141 -4.694 -7.278
99 HG13 VAL 13 3HG1 VAL 13 6.717 -3.653 -7.280
100 HG21 VAL 13 3HG2 VAL 13 7.964 -0.560 -6.959
101 HG22 VAL 13 1HG2 VAL 13 8.970 -0.936 -8.358
102 HG23 VAL 13 2HG2 VAL 13 7.281 -1.439 -8.327
103 H SER 14 H SER 14 10.638 -2.995 -4.381
104 HA SER 14 HA SER 14 10.594 -5.831 -4.463
105 HB2 SER 14 1HB SER 14 12.283 -3.831 -2.965
106 HB3 SER 14 2HB SER 14 12.494 -5.569 -2.752
107 HG SER 14 HG SER 14 12.806 -5.678 -5.057
108 H LYS 15 H LYS 15 9.606 -3.452 -2.084
109 HA LYS 15 HA LYS 15 9.265 -5.260 0.079
110 HB2 LYS 15 1HB LYS 15 8.529 -2.449 -0.510
111 HB3 LYS 15 2HB LYS 15 7.565 -3.269 0.712
112 HG2 LYS 15 1HG LYS 15 9.458 -2.003 1.652
113 HG3 LYS 15 2HG LYS 15 9.525 -3.727 2.027
114 HD2 LYS 15 1HD LYS 15 11.265 -4.106 0.509
115 HD3 LYS 15 2HD LYS 15 10.974 -2.588 -0.342
116 HE2 LYS 15 1HE LYS 15 11.712 -1.364 1.676
117 HE3 LYS 15 2HE LYS 15 12.087 -2.907 2.443
118 HZ1 LYS 15 3HZ LYS 15 13.579 -1.426 0.481
119 HZ2 LYS 15 1HZ LYS 15 13.406 -3.064 0.088
120 HZ3 LYS 15 2HZ LYS 15 14.100 -2.616 1.564
121 H CYS 16 H CYS 16 7.333 -4.409 -2.667
122 HA CYS 16 HA CYS 16 4.773 -5.021 -1.833
123 HB2 CYS 16 1HB CYS 16 5.213 -4.108 -4.038
124 HB3 CYS 16 2HB CYS 16 6.071 -5.572 -4.508
125 H GLN 17 H GLN 17 7.427 -7.168 -2.585
126 HA GLN 17 HA GLN 17 6.071 -9.573 -2.908
127 HB2 GLN 17 1HB GLN 17 8.732 -9.204 -1.525
128 HB3 GLN 17 2HB GLN 17 8.145 -10.670 -2.299
129 HG2 GLN 17 1HG GLN 17 8.152 -9.504 -4.463
130 HG3 GLN 17 2HG GLN 17 8.804 -8.072 -3.669
131 HE21 GLN 17 2HE2 GLN 17 10.121 -9.238 -5.763
132 HE22 GLN 17 1HE2 GLN 17 11.581 -9.969 -5.200
133 H LEU 18 H LEU 18 6.653 -7.701 -0.051
134 HA LEU 18 HA LEU 18 5.694 -9.894 1.650
135 HB2 LEU 18 1HB LEU 18 6.936 -7.258 2.421
136 HB3 LEU 18 2HB LEU 18 6.481 -8.549 3.531
137 HG LEU 18 HG LEU 18 8.533 -8.949 1.370
138 HD11 LEU 18 1HD1 LEU 18 9.525 -7.214 2.551
139 HD12 LEU 18 2HD1 LEU 18 10.153 -8.653 3.353
140 HD13 LEU 18 3HD1 LEU 18 8.840 -7.736 4.091
141 HD21 LEU 18 3HD2 LEU 18 8.727 -11.001 2.207
142 HD22 LEU 18 1HD2 LEU 18 7.257 -10.681 3.126
143 HD23 LEU 18 2HD2 LEU 18 8.835 -10.392 3.859
144 H ALA 19 H ALA 19 3.716 -9.857 2.510
145 HA ALA 19 HA ALA 19 1.914 -7.718 1.817
146 HB1 ALA 19 3HB ALA 19 0.782 -9.690 1.666
147 HB2 ALA 19 1HB ALA 19 1.654 -10.423 3.013
148 HB3 ALA 19 2HB ALA 19 0.368 -9.255 3.324
149 H ASN 20 H ASN 20 3.102 -9.146 4.857
150 HA ASN 20 HA ASN 20 1.778 -7.429 6.612
151 HB2 ASN 20 1HB ASN 20 4.454 -8.805 6.943
152 HB3 ASN 20 2HB ASN 20 3.537 -8.064 8.251
153 HD21 ASN 20 2HD2 ASN 20 4.285 -10.913 6.952
154 HD22 ASN 20 1HD2 ASN 20 2.874 -11.827 7.352
155 H GLN 21 H GLN 21 4.908 -7.095 5.005
156 HA GLN 21 HA GLN 21 5.847 -4.828 6.311
157 HB2 GLN 21 1HB GLN 21 7.212 -6.151 4.764
158 HB3 GLN 21 2HB GLN 21 6.224 -5.608 3.415
159 HG2 GLN 21 1HG GLN 21 8.003 -4.197 3.229
160 HG3 GLN 21 2HG GLN 21 6.933 -3.232 4.244
161 HE21 GLN 21 2HE2 GLN 21 10.023 -4.213 3.866
162 HE22 GLN 21 1HE2 GLN 21 10.585 -4.067 5.493
163 H CYS 22 H CYS 22 3.812 -5.062 3.408
164 HA CYS 22 HA CYS 22 3.606 -2.342 2.845
165 HB2 CYS 22 1HB CYS 22 2.251 -4.781 2.054
166 HB3 CYS 22 2HB CYS 22 1.121 -3.437 2.180
167 H ASN 23 H ASN 23 1.132 -4.324 4.488
168 HA ASN 23 HA ASN 23 -0.452 -2.214 5.362
169 HB2 ASN 23 1HB ASN 23 -1.687 -3.805 6.413
170 HB3 ASN 23 2HB ASN 23 -0.664 -4.904 5.492
171 HD21 ASN 23 2HD2 ASN 23 -1.348 -3.555 8.609
172 HD22 ASN 23 1HD2 ASN 23 -0.378 -4.655 9.525
173 H TYR 24 H TYR 24 2.500 -3.509 6.679
174 HA TYR 24 HA TYR 24 2.327 -2.428 9.274
175 HB2 TYR 24 1HB TYR 24 4.425 -3.604 7.577
176 HB3 TYR 24 2HB TYR 24 5.013 -2.458 8.777
177 HD1 TYR 24 HD1 TYR 24 2.146 -4.808 9.071
178 HD2 TYR 24 HD2 TYR 24 6.093 -3.839 10.332
179 HE1 TYR 24 HE1 TYR 24 2.019 -6.555 10.796
180 HE2 TYR 24 HE2 TYR 24 5.976 -5.584 12.060
181 HH TYR 24 HH TYR 24 4.228 -7.986 12.131
182 H ASP 25 H ASP 25 3.867 -1.183 6.320
183 HA ASP 25 HA ASP 25 4.588 1.304 7.565
184 HB2 ASP 25 1HB ASP 25 4.770 0.190 4.786
185 HB3 ASP 25 2HB ASP 25 5.021 1.912 5.058
186 H CYS 26 H CYS 26 1.893 0.084 5.747
187 HA CYS 26 HA CYS 26 0.817 2.633 5.019
188 HB2 CYS 26 1HB CYS 26 -0.299 -0.166 5.052
189 HB3 CYS 26 2HB CYS 26 -1.293 1.223 4.622
190 H LYS 27 H LYS 27 0.350 0.385 7.687
191 HA LYS 27 HA LYS 27 -1.772 1.987 8.842
192 HB2 LYS 27 1HB LYS 27 -0.357 -0.514 9.769
193 HB3 LYS 27 2HB LYS 27 -1.605 0.293 10.710
194 HG2 LYS 27 1HG LYS 27 -2.909 0.033 8.386
195 HG3 LYS 27 2HG LYS 27 -1.830 -1.359 8.277
196 HD2 LYS 27 1HD LYS 27 -3.692 -0.746 10.572
197 HD3 LYS 27 2HD LYS 27 -3.968 -1.955 9.315
198 HE2 LYS 27 1HE LYS 27 -2.943 -3.408 10.659
199 HE3 LYS 27 2HE LYS 27 -1.446 -2.559 10.280
200 HZ1 LYS 27 3HZ LYS 27 -3.117 -1.469 12.414
201 HZ2 LYS 27 1HZ LYS 27 -1.432 -1.498 12.269
202 HZ3 LYS 27 2HZ LYS 27 -2.264 -2.891 12.744
203 H LEU 28 H LEU 28 1.585 2.029 8.840
204 HA LEU 28 HA LEU 28 1.965 2.971 11.536
205 HB2 LEU 28 1HB LEU 28 3.736 1.752 10.434
206 HB3 LEU 28 2HB LEU 28 3.791 2.944 9.138
207 HG LEU 28 HG LEU 28 4.322 3.871 11.915
208 HD11 LEU 28 1HD1 LEU 28 6.020 2.485 12.249
209 HD12 LEU 28 2HD1 LEU 28 6.810 3.186 10.837
210 HD13 LEU 28 3HD1 LEU 28 5.800 1.751 10.660
211 HD21 LEU 28 3HD2 LEU 28 6.161 5.005 10.316
212 HD22 LEU 28 1HD2 LEU 28 4.544 5.665 10.564
213 HD23 LEU 28 2HD2 LEU 28 4.888 4.687 9.136
214 H ASP 29 H ASP 29 2.516 4.501 8.358
215 HA ASP 29 HA ASP 29 2.223 7.125 9.606
216 HB2 ASP 29 1HB ASP 29 3.410 6.109 7.070
217 HB3 ASP 29 2HB ASP 29 2.785 7.756 7.075
218 H LYS 30 H LYS 30 0.917 5.343 6.812
219 HA LYS 30 HA LYS 30 -1.117 7.262 6.274
220 HB2 LYS 30 1HB LYS 30 -0.290 4.643 5.225
221 HB3 LYS 30 2HB LYS 30 -2.020 4.946 5.119
222 HG2 LYS 30 1HG LYS 30 -0.112 7.033 4.178
223 HG3 LYS 30 2HG LYS 30 -0.437 5.625 3.165
224 HD2 LYS 30 1HD LYS 30 -2.078 7.015 2.404
225 HD3 LYS 30 2HD LYS 30 -2.948 6.259 3.741
226 HE2 LYS 30 1HE LYS 30 -2.719 8.130 5.106
227 HE3 LYS 30 2HE LYS 30 -1.374 8.771 4.165
228 HZ1 LYS 30 3HZ LYS 30 -3.907 9.623 3.966
229 HZ2 LYS 30 1HZ LYS 30 -3.851 8.501 2.702
230 HZ3 LYS 30 2HZ LYS 30 -2.752 9.786 2.742
231 H HIS 31 H HIS 31 -0.780 4.945 8.682
232 HA HIS 31 HA HIS 31 -2.191 3.992 10.199
233 HB2 HIS 31 1HB HIS 31 -2.538 6.540 10.467
234 HB3 HIS 31 2HB HIS 31 -4.082 6.269 9.664
235 HD1 HIS 31 HD1 HIS 31 -2.769 3.732 12.072
236 HD2 HIS 31 HD2 HIS 31 -5.509 6.853 12.003
237 HE1 HIS 31 HE1 HIS 31 -4.107 3.498 14.188
238 H ALA 32 H ALA 32 -2.558 3.287 7.364
239 HA ALA 32 HA ALA 32 -5.269 3.052 6.683
240 HB1 ALA 32 3HB ALA 32 -2.854 2.368 5.515
241 HB2 ALA 32 1HB ALA 32 -3.676 0.823 5.739
242 HB3 ALA 32 2HB ALA 32 -4.461 2.116 4.832
243 H ARG 33 H ARG 33 -5.720 0.371 6.165
244 HA ARG 33 HA ARG 33 -5.731 -0.899 8.815
245 HB2 ARG 33 1HB ARG 33 -7.928 0.281 8.184
246 HB3 ARG 33 2HB ARG 33 -8.124 -0.999 6.995
247 HG2 ARG 33 1HG ARG 33 -7.692 -2.543 9.084
248 HG3 ARG 33 2HG ARG 33 -8.267 -1.121 9.957
249 HD2 ARG 33 1HD ARG 33 -10.282 -2.080 9.595
250 HD3 ARG 33 2HD ARG 33 -10.138 -1.253 8.043
251 HE ARG 33 HE ARG 33 -10.034 -3.294 7.035
252 HH11 ARG 33 1HH1 ARG 33 -9.173 -3.670 10.387
253 HH12 ARG 33 2HH1 ARG 33 -9.071 -5.398 10.302
254 HH21 ARG 33 1HH2 ARG 33 -9.903 -5.568 6.910
255 HH22 ARG 33 2HH2 ARG 33 -9.485 -6.476 8.324
256 H SER 34 H SER 34 -6.087 -1.265 5.324
257 HA SER 34 HA SER 34 -5.105 -4.027 5.592
258 HB2 SER 34 1HB SER 34 -7.628 -3.657 4.940
259 HB3 SER 34 2HB SER 34 -6.954 -3.297 3.351
260 HG SER 34 HG SER 34 -7.395 -5.671 4.432
261 H GLY 35 H GLY 35 -3.491 -1.763 5.177
262 HA2 GLY 35 1HA GLY 35 -2.897 -1.011 2.605
263 HA3 GLY 35 2HA GLY 35 -1.688 -1.195 3.866
264 H GLU 36 H GLU 36 -2.304 -2.029 0.817
265 HA GLU 36 HA GLU 36 -0.490 -4.277 0.918
266 HB2 GLU 36 1HB GLU 36 -2.978 -5.073 1.178
267 HB3 GLU 36 2HB GLU 36 -3.050 -4.772 -0.554
268 HG2 GLU 36 1HG GLU 36 -1.460 -6.416 -1.024
269 HG3 GLU 36 2HG GLU 36 -0.910 -6.490 0.648
270 H CYS 37 H CYS 37 0.055 -5.042 -1.325
271 HA CYS 37 HA CYS 37 0.040 -2.737 -3.154
272 HB2 CYS 37 1HB CYS 37 2.106 -3.550 -4.061
273 HB3 CYS 37 2HB CYS 37 2.257 -3.558 -2.305
274 H PHE 38 H PHE 38 -0.438 -3.006 -5.326
275 HA PHE 38 HA PHE 38 -0.978 -5.542 -6.499
276 HB2 PHE 38 1HB PHE 38 -3.437 -5.122 -6.865
277 HB3 PHE 38 2HB PHE 38 -2.992 -5.519 -5.208
278 HD1 PHE 38 HD1 PHE 38 -3.091 -3.844 -3.456
279 HD2 PHE 38 HD2 PHE 38 -4.231 -2.929 -7.453
280 HE1 PHE 38 HE1 PHE 38 -4.198 -1.794 -2.667
281 HE2 PHE 38 HE2 PHE 38 -5.339 -0.876 -6.671
282 HZ PHE 38 HZ PHE 38 -5.325 -0.307 -4.275
283 H TYR 39 H TYR 39 -1.849 -5.326 -8.720
284 HA TYR 39 HA TYR 39 -0.481 -3.371 -10.170
285 HB2 TYR 39 1HB TYR 39 -1.845 -4.144 -12.106
286 HB3 TYR 39 2HB TYR 39 -1.110 -5.464 -11.203
287 HD1 TYR 39 HD2 TYR 39 -4.268 -3.738 -11.968
288 HD2 TYR 39 HD1 TYR 39 -2.460 -7.059 -10.019
289 HE1 TYR 39 HE2 TYR 39 -6.478 -4.785 -11.715
290 HE2 TYR 39 HE1 TYR 39 -4.666 -8.116 -9.761
291 HH TYR 39 HH TYR 39 -7.556 -6.710 -11.203
292 H ASP 40 H ASP 40 -1.021 -1.420 -11.007
293 HA ASP 40 HA ASP 40 -3.538 -0.247 -10.059
294 HB2 ASP 40 1HB ASP 40 -0.944 0.698 -9.943
295 HB3 ASP 40 2HB ASP 40 -1.626 1.577 -11.309
296 H GLU 41 H GLU 41 -3.863 1.849 -11.757
297 HA GLU 41 HA GLU 41 -5.099 0.619 -13.996
298 HB2 GLU 41 1HB GLU 41 -5.775 2.834 -14.639
299 HB3 GLU 41 2HB GLU 41 -5.914 2.700 -12.892
300 HG2 GLU 41 1HG GLU 41 -3.597 3.769 -12.807
301 HG3 GLU 41 2HG GLU 41 -3.870 4.187 -14.497
302 H LYS 42 H LYS 42 -1.953 1.860 -13.435
303 HA LYS 42 HA LYS 42 -1.369 2.140 -16.281
304 HB2 LYS 42 1HB LYS 42 0.234 2.718 -13.792
305 HB3 LYS 42 2HB LYS 42 0.916 2.822 -15.410
306 HG2 LYS 42 1HG LYS 42 -0.878 4.479 -15.963
307 HG3 LYS 42 2HG LYS 42 -1.317 4.471 -14.253
308 HD2 LYS 42 1HD LYS 42 0.123 6.299 -14.452
309 HD3 LYS 42 2HD LYS 42 1.158 5.015 -13.824
310 HE2 LYS 42 1HE LYS 42 2.468 5.862 -15.514
311 HE3 LYS 42 2HE LYS 42 1.630 4.556 -16.351
312 HZ1 LYS 42 3HZ LYS 42 0.597 5.991 -17.685
313 HZ2 LYS 42 1HZ LYS 42 1.727 7.137 -17.164
314 HZ3 LYS 42 2HZ LYS 42 0.209 7.050 -16.425
315 H ARG 43 H ARG 43 -1.890 -0.454 -14.760
316 HA ARG 43 HA ARG 43 -1.132 -2.600 -14.758
317 HB2 ARG 43 1HB ARG 43 0.351 -1.481 -17.133
318 HB3 ARG 43 2HB ARG 43 0.447 -3.177 -16.676
319 HG2 ARG 43 1HG ARG 43 -1.212 -3.219 -18.258
320 HG3 ARG 43 2HG ARG 43 -2.153 -3.065 -16.772
321 HD2 ARG 43 1HD ARG 43 -2.439 -0.715 -17.120
322 HD3 ARG 43 2HD ARG 43 -1.310 -0.727 -18.474
323 HE ARG 43 HE ARG 43 -3.463 -2.490 -18.974
324 HH11 ARG 43 1HH1 ARG 43 -2.672 0.898 -18.840
325 HH12 ARG 43 2HH1 ARG 43 -3.892 1.361 -19.978
326 HH21 ARG 43 1HH2 ARG 43 -5.074 -1.892 -20.475
327 HH22 ARG 43 2HH2 ARG 43 -5.259 -0.226 -20.907
328 H ASN 44 H ASN 44 0.325 -0.494 -13.220
329 HA ASN 44 HA ASN 44 2.959 -1.795 -13.025
330 HB2 ASN 44 1HB ASN 44 2.329 0.903 -13.242
331 HB3 ASN 44 2HB ASN 44 2.671 0.689 -11.528
332 HD21 ASN 44 2HD2 ASN 44 4.021 -0.750 -14.476
333 HD22 ASN 44 1HD2 ASN 44 5.661 -0.328 -14.134
334 H LEU 45 H LEU 45 3.726 -2.491 -11.041
335 HA LEU 45 HA LEU 45 1.663 -2.995 -9.044
336 HB2 LEU 45 1HB LEU 45 4.481 -4.005 -8.920
337 HB3 LEU 45 2HB LEU 45 3.024 -4.704 -8.217
338 HG LEU 45 HG LEU 45 3.714 -4.660 -11.154
339 HD11 LEU 45 1HD1 LEU 45 5.071 -6.163 -9.619
340 HD12 LEU 45 2HD1 LEU 45 4.247 -6.938 -10.972
341 HD13 LEU 45 3HD1 LEU 45 3.572 -7.053 -9.346
342 HD21 LEU 45 3HD2 LEU 45 1.693 -6.536 -10.439
343 HD22 LEU 45 1HD2 LEU 45 1.597 -5.176 -11.558
344 HD23 LEU 45 2HD2 LEU 45 1.224 -4.940 -9.850
345 H GLN 46 H GLN 46 1.503 -1.875 -7.219
346 HA GLN 46 HA GLN 46 3.867 -0.693 -6.005
347 HB2 GLN 46 1HB GLN 46 1.444 1.011 -6.589
348 HB3 GLN 46 2HB GLN 46 2.966 1.529 -5.876
349 HG2 GLN 46 1HG GLN 46 4.091 0.947 -8.016
350 HG3 GLN 46 2HG GLN 46 2.501 0.626 -8.706
351 HE21 GLN 46 2HE2 GLN 46 3.026 2.276 -10.246
352 HE22 GLN 46 1HE2 GLN 46 2.820 3.941 -9.835
353 H CYS 47 H CYS 47 3.332 0.280 -3.841
354 HA CYS 47 HA CYS 47 1.444 -1.485 -2.482
355 HB2 CYS 47 1HB CYS 47 3.825 -1.228 -1.692
356 HB3 CYS 47 2HB CYS 47 3.427 0.427 -1.240
357 H ILE 48 H ILE 48 -0.568 -0.754 -2.305
358 HA ILE 48 HA ILE 48 -1.012 2.125 -1.925
359 HB ILE 48 HB ILE 48 -3.059 0.024 -2.637
360 HG12 ILE 48 1HG1 ILE 48 -2.823 1.450 -4.892
361 HG13 ILE 48 2HG1 ILE 48 -1.175 1.617 -4.298
362 HG21 ILE 48 1HG2 ILE 48 -3.887 2.097 -1.546
363 HG22 ILE 48 2HG2 ILE 48 -3.195 3.024 -2.876
364 HG23 ILE 48 3HG2 ILE 48 -4.492 1.870 -3.187
365 HD11 ILE 48 3HD1 ILE 48 -2.441 -0.614 -5.586
366 HD12 ILE 48 1HD1 ILE 48 -0.737 -0.339 -5.232
367 HD13 ILE 48 2HD1 ILE 48 -1.780 -1.087 -4.022
368 H CYS 49 H CYS 49 -2.112 2.922 -0.183
369 HA CYS 49 HA CYS 49 -2.687 0.997 1.970
370 HB2 CYS 49 1HB CYS 49 -2.132 3.942 2.326
371 HB3 CYS 49 2HB CYS 49 -2.137 2.687 3.560
372 H ASP 50 H ASP 50 -4.664 0.945 2.882
373 HA ASP 50 HA ASP 50 -6.629 2.945 1.972
374 HB2 ASP 50 1HB ASP 50 -7.273 0.078 2.664
375 HB3 ASP 50 2HB ASP 50 -8.313 1.257 1.869
376 H TYR 51 H TYR 51 -7.388 4.163 3.557
377 HA TYR 51 HA TYR 51 -7.369 3.084 6.297
378 HB2 TYR 51 1HB TYR 51 -5.904 5.003 6.065
379 HB3 TYR 51 2HB TYR 51 -7.198 5.946 5.334
380 HD1 TYR 51 HD2 TYR 51 -7.365 3.736 8.321
381 HD2 TYR 51 HD1 TYR 51 -7.487 7.720 6.832
382 HE1 TYR 51 HE2 TYR 51 -8.028 4.541 10.548
383 HE2 TYR 51 HE1 TYR 51 -8.150 8.536 9.056
384 HH TYR 51 HH TYR 51 -9.429 7.286 11.168
385 H CYS 52 H CYS 52 -9.269 2.685 7.196
386 HA CYS 52 HA CYS 52 -11.608 4.248 6.339
387 HB2 CYS 52 1HB CYS 52 -11.416 1.847 5.364
388 HB3 CYS 52 2HB CYS 52 -11.849 1.325 6.988
389 H GLU 53 H GLU 53 -13.150 4.661 7.914
390 HA GLU 53 HA GLU 53 -12.331 3.980 10.662
391 HB2 GLU 53 1HB GLU 53 -13.672 6.073 11.265
392 HB3 GLU 53 2HB GLU 53 -12.124 6.312 10.468
393 HG2 GLU 53 1HG GLU 53 -13.080 7.029 8.513
394 HG3 GLU 53 2HG GLU 53 -14.590 6.169 8.810
395 H TYR 54 H TYR 54 -13.576 2.410 11.435
396 HA TYR 54 HA TYR 54 -16.103 1.696 10.448
397 HB2 TYR 54 1HB TYR 54 -16.277 0.364 12.590
398 HB3 TYR 54 2HB TYR 54 -14.840 0.051 11.623
399 HD1 TYR 54 HD1 TYR 54 -16.044 1.989 14.562
400 HD2 TYR 54 HD2 TYR 54 -12.713 0.239 12.576
401 HE1 TYR 54 HE1 TYR 54 -14.632 2.471 16.518
402 HE2 TYR 54 HE2 TYR 54 -11.292 0.715 14.526
403 HH TYR 54 HH TYR 54 -11.585 2.696 16.574
Start of MODEL 13
1 H1 ASP 2 H ASP 2 -17.902 3.960 5.824
2 HA ASP 2 HA ASP 2 -17.001 5.259 3.382
3 HB2 ASP 2 1HB ASP 2 -17.077 6.595 6.068
4 HB3 ASP 2 2HB ASP 2 -17.336 7.294 4.472
5 H CYS 3 H CYS 3 -14.966 4.622 2.890
6 HA CYS 3 HA CYS 3 -12.879 5.280 4.849
7 HB2 CYS 3 1HB CYS 3 -12.707 2.861 3.055
8 HB3 CYS 3 2HB CYS 3 -11.659 3.284 4.404
9 H LYS 4 H LYS 4 -10.651 5.218 3.684
10 HA LYS 4 HA LYS 4 -10.920 6.337 0.976
11 HB2 LYS 4 1HB LYS 4 -8.965 7.875 1.702
12 HB3 LYS 4 2HB LYS 4 -10.600 8.292 2.200
13 HG2 LYS 4 1HG LYS 4 -10.225 7.523 4.405
14 HG3 LYS 4 2HG LYS 4 -8.708 6.745 3.948
15 HD2 LYS 4 1HD LYS 4 -8.173 8.773 5.092
16 HD3 LYS 4 2HD LYS 4 -7.811 9.011 3.381
17 HE2 LYS 4 1HE LYS 4 -10.234 9.959 3.285
18 HE3 LYS 4 2HE LYS 4 -10.040 10.138 5.027
19 HZ1 LYS 4 3HZ LYS 4 -8.754 11.910 4.741
20 HZ2 LYS 4 1HZ LYS 4 -9.206 11.902 3.111
21 HZ3 LYS 4 2HZ LYS 4 -7.781 11.132 3.596
22 H ARG 5 H ARG 5 -8.929 6.273 -0.289
23 HA ARG 5 HA ARG 5 -6.858 4.454 0.656
24 HB2 ARG 5 1HB ARG 5 -7.033 3.115 -1.468
25 HB3 ARG 5 2HB ARG 5 -8.355 2.883 -0.331
26 HG2 ARG 5 1HG ARG 5 -9.446 3.043 -2.357
27 HG3 ARG 5 2HG ARG 5 -9.563 4.688 -1.730
28 HD2 ARG 5 1HD ARG 5 -8.324 5.523 -3.394
29 HD3 ARG 5 2HD ARG 5 -7.139 4.225 -3.276
30 HE ARG 5 HE ARG 5 -9.313 3.074 -4.467
31 HH11 ARG 5 1HH1 ARG 5 -7.279 5.815 -5.150
32 HH12 ARG 5 2HH1 ARG 5 -7.480 5.701 -6.867
33 HH21 ARG 5 1HH2 ARG 5 -9.584 2.914 -6.726
34 HH22 ARG 5 2HH2 ARG 5 -8.792 4.051 -7.763
35 H LYS 6 H LYS 6 -4.894 4.665 -0.420
36 HA LYS 6 HA LYS 6 -4.680 6.418 -2.714
37 HB2 LYS 6 1HB LYS 6 -4.670 8.083 -0.990
38 HB3 LYS 6 2HB LYS 6 -3.535 7.153 -0.019
39 HG2 LYS 6 1HG LYS 6 -1.734 7.701 -1.361
40 HG3 LYS 6 2HG LYS 6 -2.757 8.097 -2.745
41 HD2 LYS 6 1HD LYS 6 -3.288 10.181 -1.924
42 HD3 LYS 6 2HD LYS 6 -3.003 9.710 -0.247
43 HE2 LYS 6 1HE LYS 6 -0.712 9.965 -0.431
44 HE3 LYS 6 2HE LYS 6 -0.727 9.764 -2.182
45 HZ1 LYS 6 3HZ LYS 6 -2.113 11.973 -2.035
46 HZ2 LYS 6 1HZ LYS 6 -0.421 11.998 -2.038
47 HZ3 LYS 6 2HZ LYS 6 -1.267 12.153 -0.581
48 H VAL 7 H VAL 7 -2.905 5.990 -3.935
49 HA VAL 7 HA VAL 7 -1.215 3.778 -3.035
50 HB VAL 7 HB VAL 7 -2.235 3.447 -5.192
51 HG11 VAL 7 1HG1 VAL 7 -1.655 4.955 -7.099
52 HG12 VAL 7 2HG1 VAL 7 -2.683 5.696 -5.871
53 HG13 VAL 7 3HG1 VAL 7 -0.962 6.077 -5.928
54 HG21 VAL 7 3HG2 VAL 7 -0.244 3.061 -6.568
55 HG22 VAL 7 1HG2 VAL 7 0.699 4.085 -5.484
56 HG23 VAL 7 2HG2 VAL 7 0.020 2.568 -4.895
57 H TYR 8 H TYR 8 0.977 3.907 -2.840
58 HA TYR 8 HA TYR 8 2.198 6.555 -3.269
59 HB2 TYR 8 1HB TYR 8 1.803 5.364 -0.820
60 HB3 TYR 8 2HB TYR 8 3.457 4.901 -1.201
61 HD1 TYR 8 HD2 TYR 8 4.619 7.156 -2.504
62 HD2 TYR 8 HD1 TYR 8 1.803 7.111 0.685
63 HE1 TYR 8 HE2 TYR 8 5.409 9.371 -1.782
64 HE2 TYR 8 HE1 TYR 8 2.585 9.325 1.415
65 HH TYR 8 HH TYR 8 3.799 11.373 0.101
66 H GLU 9 H GLU 9 2.939 5.862 -5.324
67 HA GLU 9 HA GLU 9 4.423 3.539 -5.810
68 HB2 GLU 9 1HB GLU 9 5.258 4.733 -7.821
69 HB3 GLU 9 2HB GLU 9 3.512 4.820 -7.640
70 HG2 GLU 9 1HG GLU 9 3.644 7.072 -6.837
71 HG3 GLU 9 2HG GLU 9 5.406 7.000 -6.798
72 H ASN 10 H ASN 10 5.268 6.442 -4.193
73 HA ASN 10 HA ASN 10 8.019 6.578 -4.626
74 HB2 ASN 10 1HB ASN 10 6.336 8.115 -3.264
75 HB3 ASN 10 2HB ASN 10 6.949 7.177 -1.905
76 HD21 ASN 10 2HD2 ASN 10 8.033 9.059 -4.696
77 HD22 ASN 10 1HD2 ASN 10 9.441 9.707 -3.933
78 H TYR 11 H TYR 11 6.151 4.316 -2.824
79 HA TYR 11 HA TYR 11 8.243 3.409 -1.102
80 HB2 TYR 11 1HB TYR 11 5.497 2.477 -1.802
81 HB3 TYR 11 2HB TYR 11 6.593 1.331 -1.041
82 HD1 TYR 11 HD1 TYR 11 8.031 2.835 0.922
83 HD2 TYR 11 HD2 TYR 11 3.960 3.223 -0.253
84 HE1 TYR 11 HE1 TYR 11 7.491 3.780 3.128
85 HE2 TYR 11 HE2 TYR 11 3.409 4.169 1.950
86 HH TYR 11 HH TYR 11 5.898 4.965 4.283
87 HA PRO 12 HA PRO 12 10.465 0.680 -3.723
88 HB2 PRO 12 1HB PRO 12 11.128 -1.302 -1.989
89 HB3 PRO 12 2HB PRO 12 11.869 0.303 -1.944
90 HG2 PRO 12 1HG PRO 12 9.655 -0.810 -0.264
91 HG3 PRO 12 2HG PRO 12 11.046 0.174 0.228
92 HD2 PRO 12 1HD PRO 12 8.574 1.220 -0.127
93 HD3 PRO 12 2HD PRO 12 10.056 2.140 -0.456
94 H VAL 13 H VAL 13 9.611 -0.554 -5.267
95 HA VAL 13 HA VAL 13 7.267 -2.110 -4.919
96 HB VAL 13 HB VAL 13 9.251 -2.302 -7.187
97 HG11 VAL 13 1HG1 VAL 13 7.770 -4.093 -7.397
98 HG12 VAL 13 2HG1 VAL 13 6.395 -3.146 -6.825
99 HG13 VAL 13 3HG1 VAL 13 7.068 -2.847 -8.428
100 HG21 VAL 13 3HG2 VAL 13 8.765 -0.085 -7.352
101 HG22 VAL 13 1HG2 VAL 13 7.355 -0.729 -8.193
102 HG23 VAL 13 2HG2 VAL 13 7.228 -0.245 -6.502
103 H SER 14 H SER 14 10.544 -2.737 -4.281
104 HA SER 14 HA SER 14 10.591 -5.536 -4.767
105 HB2 SER 14 1HB SER 14 12.310 -4.189 -2.700
106 HB3 SER 14 2HB SER 14 12.712 -5.531 -3.772
107 HG SER 14 HG SER 14 13.642 -3.926 -4.820
108 H LYS 15 H LYS 15 9.519 -3.551 -2.118
109 HA LYS 15 HA LYS 15 9.327 -5.765 -0.266
110 HB2 LYS 15 1HB LYS 15 8.791 -2.834 -0.163
111 HB3 LYS 15 2HB LYS 15 7.966 -3.863 1.001
112 HG2 LYS 15 1HG LYS 15 10.037 -2.937 1.903
113 HG3 LYS 15 2HG LYS 15 10.093 -4.699 1.810
114 HD2 LYS 15 1HD LYS 15 11.417 -4.580 -0.217
115 HD3 LYS 15 2HD LYS 15 11.292 -2.820 -0.224
116 HE2 LYS 15 1HE LYS 15 12.441 -2.817 2.000
117 HE3 LYS 15 2HE LYS 15 12.704 -4.549 1.801
118 HZ1 LYS 15 3HZ LYS 15 13.732 -3.773 -0.454
119 HZ2 LYS 15 1HZ LYS 15 14.644 -3.716 0.971
120 HZ3 LYS 15 2HZ LYS 15 13.931 -2.306 0.365
121 H CYS 16 H CYS 16 7.464 -4.540 -2.787
122 HA CYS 16 HA CYS 16 4.846 -4.743 -1.943
123 HB2 CYS 16 1HB CYS 16 5.323 -3.927 -4.144
124 HB3 CYS 16 2HB CYS 16 6.086 -5.446 -4.605
125 H GLN 17 H GLN 17 7.066 -7.311 -2.892
126 HA GLN 17 HA GLN 17 5.285 -9.440 -3.035
127 HB2 GLN 17 1HB GLN 17 7.259 -10.865 -2.453
128 HB3 GLN 17 2HB GLN 17 7.548 -9.731 -3.766
129 HG2 GLN 17 1HG GLN 17 8.395 -8.233 -1.729
130 HG3 GLN 17 2HG GLN 17 8.704 -9.830 -1.051
131 HE21 GLN 17 2HE2 GLN 17 8.962 -8.482 -4.322
132 HE22 GLN 17 1HE2 GLN 17 10.615 -8.925 -4.560
133 H LEU 18 H LEU 18 6.708 -7.861 -0.253
134 HA LEU 18 HA LEU 18 5.897 -9.851 1.636
135 HB2 LEU 18 1HB LEU 18 7.065 -7.121 1.764
136 HB3 LEU 18 2HB LEU 18 6.278 -7.756 3.208
137 HG LEU 18 HG LEU 18 8.816 -8.030 2.989
138 HD11 LEU 18 1HD1 LEU 18 8.773 -10.056 4.218
139 HD12 LEU 18 2HD1 LEU 18 7.251 -10.552 3.479
140 HD13 LEU 18 3HD1 LEU 18 7.282 -9.196 4.607
141 HD21 LEU 18 3HD2 LEU 18 9.575 -9.964 1.739
142 HD22 LEU 18 1HD2 LEU 18 8.798 -8.808 0.657
143 HD23 LEU 18 2HD2 LEU 18 7.935 -10.262 1.161
144 H ALA 19 H ALA 19 4.030 -10.051 2.715
145 HA ALA 19 HA ALA 19 1.861 -8.224 2.036
146 HB1 ALA 19 3HB ALA 19 0.671 -10.103 3.555
147 HB2 ALA 19 1HB ALA 19 0.931 -10.265 1.817
148 HB3 ALA 19 2HB ALA 19 2.054 -11.017 2.951
149 H ASN 20 H ASN 20 3.868 -9.123 4.728
150 HA ASN 20 HA ASN 20 2.187 -7.715 6.643
151 HB2 ASN 20 1HB ASN 20 3.754 -8.500 8.325
152 HB3 ASN 20 2HB ASN 20 3.295 -9.842 7.281
153 HD21 ASN 20 2HD2 ASN 20 5.839 -7.990 8.531
154 HD22 ASN 20 1HD2 ASN 20 7.128 -8.722 7.642
155 H GLN 21 H GLN 21 4.770 -7.051 4.548
156 HA GLN 21 HA GLN 21 5.931 -4.929 6.124
157 HB2 GLN 21 1HB GLN 21 7.289 -6.270 4.548
158 HB3 GLN 21 2HB GLN 21 6.347 -5.624 3.210
159 HG2 GLN 21 1HG GLN 21 8.119 -4.221 3.114
160 HG3 GLN 21 2HG GLN 21 7.118 -3.322 4.254
161 HE21 GLN 21 2HE2 GLN 21 8.248 -2.526 5.859
162 HE22 GLN 21 1HE2 GLN 21 9.604 -3.271 6.627
163 H CYS 22 H CYS 22 3.807 -5.206 3.307
164 HA CYS 22 HA CYS 22 3.617 -2.484 2.688
165 HB2 CYS 22 1HB CYS 22 2.377 -4.909 1.850
166 HB3 CYS 22 2HB CYS 22 1.107 -3.733 2.170
167 H ASN 23 H ASN 23 1.191 -4.450 4.419
168 HA ASN 23 HA ASN 23 -0.389 -2.337 5.291
169 HB2 ASN 23 1HB ASN 23 -1.575 -3.911 6.433
170 HB3 ASN 23 2HB ASN 23 -0.599 -5.013 5.466
171 HD21 ASN 23 2HD2 ASN 23 0.727 -6.395 6.463
172 HD22 ASN 23 1HD2 ASN 23 1.018 -6.431 8.165
173 H TYR 24 H TYR 24 2.615 -3.564 6.545
174 HA TYR 24 HA TYR 24 2.463 -2.364 9.114
175 HB2 TYR 24 1HB TYR 24 4.009 -4.151 8.836
176 HB3 TYR 24 2HB TYR 24 4.774 -3.371 7.456
177 HD1 TYR 24 HD1 TYR 24 4.242 -3.011 11.119
178 HD2 TYR 24 HD2 TYR 24 6.652 -2.014 7.758
179 HE1 TYR 24 HE1 TYR 24 5.909 -2.002 12.621
180 HE2 TYR 24 HE2 TYR 24 8.326 -1.003 9.251
181 HH TYR 24 HH TYR 24 7.986 0.065 11.940
182 H ASP 25 H ASP 25 3.847 -1.344 6.022
183 HA ASP 25 HA ASP 25 4.867 1.125 7.083
184 HB2 ASP 25 1HB ASP 25 4.466 0.317 4.196
185 HB3 ASP 25 2HB ASP 25 5.467 1.642 4.783
186 H CYS 26 H CYS 26 1.921 0.043 5.586
187 HA CYS 26 HA CYS 26 0.957 2.682 4.967
188 HB2 CYS 26 1HB CYS 26 -0.284 -0.062 4.942
189 HB3 CYS 26 2HB CYS 26 -1.248 1.384 4.663
190 H LYS 27 H LYS 27 0.104 0.205 7.378
191 HA LYS 27 HA LYS 27 -1.743 1.853 8.766
192 HB2 LYS 27 1HB LYS 27 -0.251 -0.597 9.724
193 HB3 LYS 27 2HB LYS 27 -1.641 0.127 10.521
194 HG2 LYS 27 1HG LYS 27 -3.087 -0.474 8.746
195 HG3 LYS 27 2HG LYS 27 -1.733 -0.914 7.703
196 HD2 LYS 27 1HD LYS 27 -2.373 -2.993 8.412
197 HD3 LYS 27 2HD LYS 27 -1.212 -2.590 9.679
198 HE2 LYS 27 1HE LYS 27 -2.927 -2.023 11.202
199 HE3 LYS 27 2HE LYS 27 -4.151 -2.003 9.932
200 HZ1 LYS 27 3HZ LYS 27 -3.716 -4.430 9.661
201 HZ2 LYS 27 1HZ LYS 27 -4.411 -4.004 11.144
202 HZ3 LYS 27 2HZ LYS 27 -2.761 -4.369 11.056
203 H LEU 28 H LEU 28 1.620 1.876 8.625
204 HA LEU 28 HA LEU 28 2.120 2.769 11.313
205 HB2 LEU 28 1HB LEU 28 3.911 1.646 10.303
206 HB3 LEU 28 2HB LEU 28 3.771 2.583 8.817
207 HG LEU 28 HG LEU 28 4.626 4.563 10.016
208 HD11 LEU 28 1HD1 LEU 28 4.225 2.830 12.299
209 HD12 LEU 28 2HD1 LEU 28 4.468 4.575 12.233
210 HD13 LEU 28 3HD1 LEU 28 5.860 3.491 12.252
211 HD21 LEU 28 3HD2 LEU 28 6.227 3.333 8.785
212 HD22 LEU 28 1HD2 LEU 28 6.295 2.061 10.003
213 HD23 LEU 28 2HD2 LEU 28 6.960 3.655 10.357
214 H ASP 29 H ASP 29 2.545 4.373 8.153
215 HA ASP 29 HA ASP 29 2.294 6.966 9.472
216 HB2 ASP 29 1HB ASP 29 3.438 5.997 6.913
217 HB3 ASP 29 2HB ASP 29 2.743 7.615 6.899
218 H LYS 30 H LYS 30 0.879 5.226 6.707
219 HA LYS 30 HA LYS 30 -1.163 7.156 6.259
220 HB2 LYS 30 1HB LYS 30 -0.383 4.550 5.157
221 HB3 LYS 30 2HB LYS 30 -2.118 4.838 5.136
222 HG2 LYS 30 1HG LYS 30 -0.343 7.001 4.147
223 HG3 LYS 30 2HG LYS 30 -0.550 5.566 3.140
224 HD2 LYS 30 1HD LYS 30 -2.291 6.830 2.370
225 HD3 LYS 30 2HD LYS 30 -3.102 5.986 3.690
226 HE2 LYS 30 1HE LYS 30 -3.280 7.857 4.954
227 HE3 LYS 30 2HE LYS 30 -1.742 8.512 4.392
228 HZ1 LYS 30 3HZ LYS 30 -4.140 9.449 3.658
229 HZ2 LYS 30 1HZ LYS 30 -3.817 8.386 2.383
230 HZ3 LYS 30 2HZ LYS 30 -2.731 9.631 2.741
231 H HIS 31 H HIS 31 -0.745 4.852 8.655
232 HA HIS 31 HA HIS 31 -2.099 3.903 10.226
233 HB2 HIS 31 1HB HIS 31 -3.722 6.384 9.633
234 HB3 HIS 31 2HB HIS 31 -3.944 5.348 11.038
235 HD1 HIS 31 HD1 HIS 31 -2.165 8.287 9.933
236 HD2 HIS 31 HD2 HIS 31 -1.515 5.286 12.731
237 HE1 HIS 31 HE1 HIS 31 -0.417 9.194 11.498
238 H ALA 32 H ALA 32 -2.575 3.226 7.379
239 HA ALA 32 HA ALA 32 -5.313 2.948 6.836
240 HB1 ALA 32 3HB ALA 32 -3.726 0.775 5.762
241 HB2 ALA 32 1HB ALA 32 -4.587 2.067 4.924
242 HB3 ALA 32 2HB ALA 32 -2.951 2.341 5.527
243 H ARG 33 H ARG 33 -5.696 0.248 6.278
244 HA ARG 33 HA ARG 33 -5.572 -1.051 8.912
245 HB2 ARG 33 1HB ARG 33 -7.920 -1.945 8.342
246 HB3 ARG 33 2HB ARG 33 -7.782 -0.290 8.922
247 HG2 ARG 33 1HG ARG 33 -8.641 0.540 7.048
248 HG3 ARG 33 2HG ARG 33 -7.593 -0.455 6.034
249 HD2 ARG 33 1HD ARG 33 -9.254 -2.357 6.866
250 HD3 ARG 33 2HD ARG 33 -10.340 -0.978 7.031
251 HE ARG 33 HE ARG 33 -9.165 -0.829 4.511
252 HH11 ARG 33 1HH1 ARG 33 -11.314 -2.923 6.276
253 HH12 ARG 33 2HH1 ARG 33 -12.157 -3.466 4.863
254 HH21 ARG 33 1HH2 ARG 33 -10.268 -1.536 2.643
255 HH22 ARG 33 2HH2 ARG 33 -11.560 -2.677 2.797
256 H SER 34 H SER 34 -6.011 -1.388 5.430
257 HA SER 34 HA SER 34 -4.961 -4.131 5.642
258 HB2 SER 34 1HB SER 34 -6.995 -3.217 3.597
259 HB3 SER 34 2HB SER 34 -6.414 -4.862 3.862
260 HG SER 34 HG SER 34 -8.149 -3.308 5.437
261 H GLY 35 H GLY 35 -3.376 -1.846 5.272
262 HA2 GLY 35 1HA GLY 35 -2.792 -1.005 2.732
263 HA3 GLY 35 2HA GLY 35 -1.572 -1.248 3.972
264 H GLU 36 H GLU 36 -2.274 -1.977 0.898
265 HA GLU 36 HA GLU 36 -0.421 -4.188 0.856
266 HB2 GLU 36 1HB GLU 36 -2.894 -5.034 1.219
267 HB3 GLU 36 2HB GLU 36 -3.020 -4.742 -0.509
268 HG2 GLU 36 1HG GLU 36 -1.518 -6.400 -1.040
269 HG3 GLU 36 2HG GLU 36 -0.744 -6.352 0.543
270 H CYS 37 H CYS 37 0.128 -4.838 -1.380
271 HA CYS 37 HA CYS 37 -0.069 -2.515 -3.168
272 HB2 CYS 37 1HB CYS 37 1.970 -3.224 -4.169
273 HB3 CYS 37 2HB CYS 37 2.198 -3.371 -2.430
274 H PHE 38 H PHE 38 -0.492 -2.798 -5.394
275 HA PHE 38 HA PHE 38 -1.235 -5.363 -6.444
276 HB2 PHE 38 1HB PHE 38 -3.302 -3.471 -5.459
277 HB3 PHE 38 2HB PHE 38 -3.611 -4.251 -7.007
278 HD1 PHE 38 HD1 PHE 38 -2.822 -6.908 -6.838
279 HD2 PHE 38 HD2 PHE 38 -4.390 -4.473 -3.720
280 HE1 PHE 38 HE1 PHE 38 -3.611 -8.923 -5.667
281 HE2 PHE 38 HE2 PHE 38 -5.181 -6.483 -2.543
282 HZ PHE 38 HZ PHE 38 -4.790 -8.713 -3.516
283 H TYR 39 H TYR 39 -1.703 -5.304 -8.706
284 HA TYR 39 HA TYR 39 -0.168 -3.477 -10.156
285 HB2 TYR 39 1HB TYR 39 -1.170 -4.468 -12.153
286 HB3 TYR 39 2HB TYR 39 -0.756 -5.717 -10.986
287 HD1 TYR 39 HD1 TYR 39 -2.542 -6.856 -9.707
288 HD2 TYR 39 HD2 TYR 39 -3.441 -4.069 -12.794
289 HE1 TYR 39 HE1 TYR 39 -4.847 -7.709 -9.797
290 HE2 TYR 39 HE2 TYR 39 -5.749 -4.914 -12.892
291 HH TYR 39 HH TYR 39 -7.310 -6.145 -11.725
292 H ASP 40 H ASP 40 -0.574 -1.562 -11.098
293 HA ASP 40 HA ASP 40 -3.150 -0.310 -10.547
294 HB2 ASP 40 1HB ASP 40 -0.606 0.645 -10.342
295 HB3 ASP 40 2HB ASP 40 -1.071 1.264 -11.923
296 H GLU 41 H GLU 41 -3.615 1.451 -12.429
297 HA GLU 41 HA GLU 41 -4.569 -0.086 -14.612
298 HB2 GLU 41 1HB GLU 41 -5.383 2.023 -15.508
299 HB3 GLU 41 2HB GLU 41 -5.723 1.925 -13.786
300 HG2 GLU 41 1HG GLU 41 -3.500 3.234 -13.532
301 HG3 GLU 41 2HG GLU 41 -3.753 3.640 -15.228
302 H LYS 42 H LYS 42 -1.604 1.498 -14.001
303 HA LYS 42 HA LYS 42 -0.892 1.528 -16.847
304 HB2 LYS 42 1HB LYS 42 0.447 2.739 -14.425
305 HB3 LYS 42 2HB LYS 42 1.153 2.755 -16.035
306 HG2 LYS 42 1HG LYS 42 -1.574 3.881 -15.521
307 HG3 LYS 42 2HG LYS 42 -0.113 4.832 -15.245
308 HD2 LYS 42 1HD LYS 42 0.559 4.392 -17.591
309 HD3 LYS 42 2HD LYS 42 -0.977 3.559 -17.842
310 HE2 LYS 42 1HE LYS 42 -1.314 5.738 -18.658
311 HE3 LYS 42 2HE LYS 42 -2.091 5.711 -17.075
312 HZ1 LYS 42 3HZ LYS 42 -0.907 7.572 -16.761
313 HZ2 LYS 42 1HZ LYS 42 0.212 7.212 -17.977
314 HZ3 LYS 42 2HZ LYS 42 0.377 6.520 -16.443
315 H ARG 43 H ARG 43 -1.130 -0.895 -15.107
316 HA ARG 43 HA ARG 43 -0.047 -2.865 -14.758
317 HB2 ARG 43 1HB ARG 43 1.560 -1.711 -17.026
318 HB3 ARG 43 2HB ARG 43 1.931 -3.287 -16.341
319 HG2 ARG 43 1HG ARG 43 0.571 -3.913 -18.052
320 HG3 ARG 43 2HG ARG 43 -0.632 -3.702 -16.779
321 HD2 ARG 43 1HD ARG 43 -1.451 -2.627 -18.749
322 HD3 ARG 43 2HD ARG 43 -0.981 -1.372 -17.603
323 HE ARG 43 HE ARG 43 0.647 -0.687 -19.064
324 HH11 ARG 43 1HH1 ARG 43 -0.529 -3.820 -20.029
325 HH12 ARG 43 2HH1 ARG 43 0.322 -3.817 -21.539
326 HH21 ARG 43 1HH2 ARG 43 1.771 -0.673 -21.048
327 HH22 ARG 43 2HH2 ARG 43 1.631 -2.028 -22.117
328 H ASN 44 H ASN 44 0.797 -0.371 -13.312
329 HA ASN 44 HA ASN 44 3.558 -1.091 -12.624
330 HB2 ASN 44 1HB ASN 44 1.937 1.414 -12.183
331 HB3 ASN 44 2HB ASN 44 3.471 1.133 -11.364
332 HD21 ASN 44 2HD2 ASN 44 3.723 3.243 -12.655
333 HD22 ASN 44 1HD2 ASN 44 4.449 3.075 -14.213
334 H LEU 45 H LEU 45 4.001 -2.088 -10.769
335 HA LEU 45 HA LEU 45 1.837 -2.635 -8.912
336 HB2 LEU 45 1HB LEU 45 4.684 -3.576 -8.700
337 HB3 LEU 45 2HB LEU 45 3.247 -4.286 -7.966
338 HG LEU 45 HG LEU 45 3.630 -4.219 -10.946
339 HD11 LEU 45 1HD1 LEU 45 4.496 -6.516 -10.767
340 HD12 LEU 45 2HD1 LEU 45 4.570 -6.334 -9.015
341 HD13 LEU 45 3HD1 LEU 45 5.583 -5.326 -10.049
342 HD21 LEU 45 3HD2 LEU 45 1.638 -5.208 -9.103
343 HD22 LEU 45 1HD2 LEU 45 2.271 -6.500 -10.122
344 HD23 LEU 45 2HD2 LEU 45 1.573 -5.058 -10.860
345 H GLN 46 H GLN 46 1.449 -1.336 -7.256
346 HA GLN 46 HA GLN 46 3.717 -0.141 -5.829
347 HB2 GLN 46 1HB GLN 46 1.182 1.378 -6.439
348 HB3 GLN 46 2HB GLN 46 2.641 1.997 -5.678
349 HG2 GLN 46 1HG GLN 46 2.419 1.046 -8.524
350 HG3 GLN 46 2HG GLN 46 2.436 2.727 -7.996
351 HE21 GLN 46 2HE2 GLN 46 4.254 2.140 -9.783
352 HE22 GLN 46 1HE2 GLN 46 5.829 1.984 -9.089
353 H CYS 47 H CYS 47 3.132 0.617 -3.641
354 HA CYS 47 HA CYS 47 1.282 -1.275 -2.412
355 HB2 CYS 47 1HB CYS 47 3.664 -0.918 -1.590
356 HB3 CYS 47 2HB CYS 47 3.125 0.648 -0.994
357 H ILE 48 H ILE 48 -0.760 -0.630 -2.238
358 HA ILE 48 HA ILE 48 -1.352 2.206 -1.826
359 HB ILE 48 HB ILE 48 -3.256 -0.065 -2.413
360 HG12 ILE 48 1HG1 ILE 48 -3.283 1.489 -4.631
361 HG13 ILE 48 2HG1 ILE 48 -1.605 1.686 -4.137
362 HG21 ILE 48 1HG2 ILE 48 -3.661 2.923 -2.421
363 HG22 ILE 48 2HG2 ILE 48 -4.847 1.731 -2.948
364 HG23 ILE 48 3HG2 ILE 48 -4.333 1.778 -1.261
365 HD11 ILE 48 3HD1 ILE 48 -2.310 -1.075 -3.994
366 HD12 ILE 48 1HD1 ILE 48 -2.756 -0.433 -5.574
367 HD13 ILE 48 2HD1 ILE 48 -1.095 -0.282 -4.997
368 H CYS 49 H CYS 49 -2.570 2.965 -0.104
369 HA CYS 49 HA CYS 49 -2.900 1.079 2.137
370 HB2 CYS 49 1HB CYS 49 -2.419 4.040 2.440
371 HB3 CYS 49 2HB CYS 49 -2.299 2.788 3.673
372 H ASP 50 H ASP 50 -4.865 0.913 3.022
373 HA ASP 50 HA ASP 50 -6.916 2.850 2.170
374 HB2 ASP 50 1HB ASP 50 -7.589 0.098 3.151
375 HB3 ASP 50 2HB ASP 50 -8.500 1.147 2.068
376 H TYR 51 H TYR 51 -7.555 4.175 3.723
377 HA TYR 51 HA TYR 51 -7.361 3.281 6.518
378 HB2 TYR 51 1HB TYR 51 -6.048 5.285 5.962
379 HB3 TYR 51 2HB TYR 51 -7.511 6.091 5.406
380 HD1 TYR 51 HD2 TYR 51 -7.027 3.989 8.439
381 HD2 TYR 51 HD1 TYR 51 -7.755 7.883 6.886
382 HE1 TYR 51 HE2 TYR 51 -7.429 4.816 10.719
383 HE2 TYR 51 HE1 TYR 51 -8.159 8.721 9.162
384 HH TYR 51 HH TYR 51 -8.771 7.913 11.341
385 H CYS 52 H CYS 52 -9.176 2.823 7.556
386 HA CYS 52 HA CYS 52 -11.719 3.783 6.446
387 HB2 CYS 52 1HB CYS 52 -10.890 1.349 7.942
388 HB3 CYS 52 2HB CYS 52 -12.518 1.955 8.231
389 H GLU 53 H GLU 53 -12.914 5.227 7.507
390 HA GLU 53 HA GLU 53 -12.076 5.983 10.217
391 HB2 GLU 53 1HB GLU 53 -12.146 7.682 8.307
392 HB3 GLU 53 2HB GLU 53 -13.897 7.564 8.412
393 HG2 GLU 53 1HG GLU 53 -13.945 8.489 10.562
394 HG3 GLU 53 2HG GLU 53 -12.217 8.238 10.799
395 H TYR 54 H TYR 54 -13.196 4.817 11.663
396 HA TYR 54 HA TYR 54 -15.858 3.910 11.257
397 HB2 TYR 54 1HB TYR 54 -14.265 4.111 13.821
398 HB3 TYR 54 2HB TYR 54 -15.750 3.189 13.606
399 HD1 TYR 54 HD2 TYR 54 -15.704 1.345 11.778
400 HD2 TYR 54 HD1 TYR 54 -12.209 3.082 13.472
401 HE1 TYR 54 HE2 TYR 54 -14.393 -0.610 11.065
402 HE2 TYR 54 HE1 TYR 54 -10.888 1.134 12.762
403 HH TYR 54 HH TYR 54 -11.799 -0.984 10.513
Start of MODEL 14
1 H1 ASP 2 H ASP 2 -17.731 6.338 4.033
2 HA ASP 2 HA ASP 2 -16.797 4.369 2.079
3 HB2 ASP 2 1HB ASP 2 -17.717 6.675 1.107
4 HB3 ASP 2 2HB ASP 2 -16.098 7.214 1.543
5 H CYS 3 H CYS 3 -14.398 4.627 1.680
6 HA CYS 3 HA CYS 3 -13.060 5.505 4.155
7 HB2 CYS 3 1HB CYS 3 -12.075 3.255 2.409
8 HB3 CYS 3 2HB CYS 3 -11.606 3.641 4.062
9 H LYS 4 H LYS 4 -10.597 5.722 3.750
10 HA LYS 4 HA LYS 4 -10.229 7.222 1.240
11 HB2 LYS 4 1HB LYS 4 -10.063 8.829 2.919
12 HB3 LYS 4 2HB LYS 4 -9.269 7.725 4.035
13 HG2 LYS 4 1HG LYS 4 -7.215 8.166 3.224
14 HG3 LYS 4 2HG LYS 4 -7.788 8.333 1.562
15 HD2 LYS 4 1HD LYS 4 -8.434 10.393 3.646
16 HD3 LYS 4 2HD LYS 4 -6.901 10.428 2.771
17 HE2 LYS 4 1HE LYS 4 -9.493 10.226 1.287
18 HE3 LYS 4 2HE LYS 4 -8.922 11.787 1.871
19 HZ1 LYS 4 3HZ LYS 4 -7.559 11.912 0.149
20 HZ2 LYS 4 1HZ LYS 4 -8.152 10.441 -0.441
21 HZ3 LYS 4 2HZ LYS 4 -6.806 10.461 0.582
22 H ARG 5 H ARG 5 -8.726 6.507 -0.123
23 HA ARG 5 HA ARG 5 -6.539 4.843 0.923
24 HB2 ARG 5 1HB ARG 5 -6.740 3.417 -1.116
25 HB3 ARG 5 2HB ARG 5 -8.110 3.289 -0.019
26 HG2 ARG 5 1HG ARG 5 -9.250 3.471 -1.963
27 HG3 ARG 5 2HG ARG 5 -9.059 5.190 -1.617
28 HD2 ARG 5 1HD ARG 5 -8.492 4.722 -3.931
29 HD3 ARG 5 2HD ARG 5 -7.063 5.246 -3.040
30 HE ARG 5 HE ARG 5 -6.111 3.232 -3.512
31 HH11 ARG 5 1HH1 ARG 5 -9.565 2.916 -3.804
32 HH12 ARG 5 2HH1 ARG 5 -9.498 1.285 -4.386
33 HH21 ARG 5 1HH2 ARG 5 -6.008 1.086 -4.276
34 HH22 ARG 5 2HH2 ARG 5 -7.474 0.244 -4.653
35 H LYS 6 H LYS 6 -4.635 4.797 -0.415
36 HA LYS 6 HA LYS 6 -4.404 6.544 -2.675
37 HB2 LYS 6 1HB LYS 6 -4.341 8.251 -0.971
38 HB3 LYS 6 2HB LYS 6 -3.150 7.346 -0.046
39 HG2 LYS 6 1HG LYS 6 -1.435 7.839 -1.532
40 HG3 LYS 6 2HG LYS 6 -2.552 8.258 -2.832
41 HD2 LYS 6 1HD LYS 6 -2.550 9.859 -0.309
42 HD3 LYS 6 2HD LYS 6 -1.299 10.139 -1.522
43 HE2 LYS 6 1HE LYS 6 -4.164 10.051 -2.354
44 HE3 LYS 6 2HE LYS 6 -3.533 11.502 -1.575
45 HZ1 LYS 6 3HZ LYS 6 -2.525 10.246 -4.070
46 HZ2 LYS 6 1HZ LYS 6 -1.781 11.551 -3.290
47 HZ3 LYS 6 2HZ LYS 6 -3.335 11.725 -3.936
48 H VAL 7 H VAL 7 -2.592 6.117 -3.877
49 HA VAL 7 HA VAL 7 -1.039 3.800 -3.042
50 HB VAL 7 HB VAL 7 -1.939 3.737 -5.287
51 HG11 VAL 7 1HG1 VAL 7 -2.153 6.073 -5.777
52 HG12 VAL 7 2HG1 VAL 7 -0.403 6.298 -5.706
53 HG13 VAL 7 3HG1 VAL 7 -1.120 5.344 -7.006
54 HG21 VAL 7 3HG2 VAL 7 0.306 2.744 -4.804
55 HG22 VAL 7 1HG2 VAL 7 0.040 3.163 -6.497
56 HG23 VAL 7 2HG2 VAL 7 1.033 4.204 -5.476
57 H TYR 8 H TYR 8 1.127 3.785 -2.664
58 HA TYR 8 HA TYR 8 2.469 6.407 -2.635
59 HB2 TYR 8 1HB TYR 8 2.005 4.916 -0.467
60 HB3 TYR 8 2HB TYR 8 3.508 4.160 -0.982
61 HD1 TYR 8 HD1 TYR 8 2.286 7.697 -0.881
62 HD2 TYR 8 HD2 TYR 8 5.286 4.909 0.274
63 HE1 TYR 8 HE1 TYR 8 3.557 9.514 0.182
64 HE2 TYR 8 HE2 TYR 8 6.565 6.718 1.341
65 HH TYR 8 HH TYR 8 5.699 10.061 0.946
66 H GLU 9 H GLU 9 3.202 6.180 -4.792
67 HA GLU 9 HA GLU 9 4.620 3.978 -5.790
68 HB2 GLU 9 1HB GLU 9 5.399 5.478 -7.543
69 HB3 GLU 9 2HB GLU 9 3.694 5.756 -7.215
70 HG2 GLU 9 1HG GLU 9 4.643 7.604 -5.606
71 HG3 GLU 9 2HG GLU 9 6.039 7.498 -6.678
72 H ASN 10 H ASN 10 5.534 6.413 -3.564
73 HA ASN 10 HA ASN 10 8.289 6.581 -3.975
74 HB2 ASN 10 1HB ASN 10 6.675 7.842 -2.313
75 HB3 ASN 10 2HB ASN 10 7.191 6.586 -1.192
76 HD21 ASN 10 2HD2 ASN 10 8.254 9.246 -3.197
77 HD22 ASN 10 1HD2 ASN 10 9.748 9.520 -2.374
78 H TYR 11 H TYR 11 6.349 4.098 -2.487
79 HA TYR 11 HA TYR 11 8.525 2.756 -1.198
80 HB2 TYR 11 1HB TYR 11 5.747 2.594 -1.098
81 HB3 TYR 11 2HB TYR 11 6.241 1.060 -1.807
82 HD1 TYR 11 HD2 TYR 11 7.650 3.247 0.884
83 HD2 TYR 11 HD1 TYR 11 6.259 -0.617 -0.230
84 HE1 TYR 11 HE2 TYR 11 8.223 2.403 3.121
85 HE2 TYR 11 HE1 TYR 11 6.827 -1.471 2.005
86 HH TYR 11 HH TYR 11 7.217 -0.700 4.227
87 HA PRO 12 HA PRO 12 10.187 0.578 -4.645
88 HB2 PRO 12 1HB PRO 12 11.376 -1.467 -3.314
89 HB3 PRO 12 2HB PRO 12 12.016 0.181 -3.314
90 HG2 PRO 12 1HG PRO 12 10.368 -1.210 -1.238
91 HG3 PRO 12 2HG PRO 12 11.784 -0.164 -1.026
92 HD2 PRO 12 1HD PRO 12 9.251 0.719 -0.657
93 HD3 PRO 12 2HD PRO 12 10.548 1.768 -1.265
94 H VAL 13 H VAL 13 9.590 -1.033 -6.011
95 HA VAL 13 HA VAL 13 7.191 -2.458 -5.507
96 HB VAL 13 HB VAL 13 9.183 -3.008 -7.706
97 HG11 VAL 13 1HG1 VAL 13 6.841 -3.484 -8.837
98 HG12 VAL 13 2HG1 VAL 13 7.680 -4.717 -7.894
99 HG13 VAL 13 3HG1 VAL 13 6.367 -3.789 -7.167
100 HG21 VAL 13 3HG2 VAL 13 8.811 -0.862 -8.272
101 HG22 VAL 13 1HG2 VAL 13 7.263 -1.474 -8.855
102 HG23 VAL 13 2HG2 VAL 13 7.375 -0.736 -7.257
103 H SER 14 H SER 14 10.437 -3.103 -4.749
104 HA SER 14 HA SER 14 10.396 -5.942 -4.886
105 HB2 SER 14 1HB SER 14 12.177 -3.903 -3.611
106 HB3 SER 14 2HB SER 14 12.342 -5.595 -3.141
107 HG SER 14 HG SER 14 13.231 -6.011 -5.000
108 H LYS 15 H LYS 15 9.501 -3.598 -2.445
109 HA LYS 15 HA LYS 15 9.232 -5.499 -0.322
110 HB2 LYS 15 1HB LYS 15 8.705 -2.615 -0.713
111 HB3 LYS 15 2HB LYS 15 7.707 -3.415 0.494
112 HG2 LYS 15 1HG LYS 15 9.718 -2.390 1.456
113 HG3 LYS 15 2HG LYS 15 9.669 -4.137 1.699
114 HD2 LYS 15 1HD LYS 15 11.351 -4.525 0.142
115 HD3 LYS 15 2HD LYS 15 11.104 -2.971 -0.657
116 HE2 LYS 15 1HE LYS 15 12.193 -3.307 2.136
117 HE3 LYS 15 2HE LYS 15 13.189 -3.095 0.696
118 HZ1 LYS 15 3HZ LYS 15 11.126 -1.104 1.010
119 HZ2 LYS 15 1HZ LYS 15 12.765 -0.916 0.634
120 HZ3 LYS 15 2HZ LYS 15 12.281 -1.091 2.246
121 H CYS 16 H CYS 16 7.281 -4.530 -2.968
122 HA CYS 16 HA CYS 16 4.699 -4.871 -2.063
123 HB2 CYS 16 1HB CYS 16 5.144 -4.111 -4.314
124 HB3 CYS 16 2HB CYS 16 5.899 -5.647 -4.727
125 H GLN 17 H GLN 17 7.097 -7.309 -2.860
126 HA GLN 17 HA GLN 17 5.463 -9.566 -2.941
127 HB2 GLN 17 1HB GLN 17 8.276 -9.457 -1.847
128 HB3 GLN 17 2HB GLN 17 7.457 -10.859 -2.524
129 HG2 GLN 17 1HG GLN 17 7.315 -9.551 -4.689
130 HG3 GLN 17 2HG GLN 17 8.444 -8.414 -3.955
131 HE21 GLN 17 2HE2 GLN 17 10.432 -8.737 -4.617
132 HE22 GLN 17 1HE2 GLN 17 11.168 -10.265 -4.941
133 H LEU 18 H LEU 18 6.752 -7.772 -0.225
134 HA LEU 18 HA LEU 18 6.009 -9.742 1.731
135 HB2 LEU 18 1HB LEU 18 7.097 -6.966 1.803
136 HB3 LEU 18 2HB LEU 18 6.391 -7.651 3.266
137 HG LEU 18 HG LEU 18 8.931 -7.804 2.954
138 HD11 LEU 18 1HD1 LEU 18 9.021 -9.903 4.111
139 HD12 LEU 18 2HD1 LEU 18 7.429 -10.358 3.505
140 HD13 LEU 18 3HD1 LEU 18 7.589 -9.024 4.648
141 HD21 LEU 18 3HD2 LEU 18 8.837 -8.574 0.610
142 HD22 LEU 18 1HD2 LEU 18 8.102 -10.081 1.158
143 HD23 LEU 18 2HD2 LEU 18 9.744 -9.669 1.653
144 H ALA 19 H ALA 19 4.156 -9.915 2.845
145 HA ALA 19 HA ALA 19 1.957 -8.150 2.099
146 HB1 ALA 19 3HB ALA 19 0.687 -9.907 3.566
147 HB2 ALA 19 1HB ALA 19 1.215 -10.317 1.934
148 HB3 ALA 19 2HB ALA 19 2.152 -10.861 3.327
149 H ASN 20 H ASN 20 3.961 -8.943 4.838
150 HA ASN 20 HA ASN 20 2.283 -7.453 6.686
151 HB2 ASN 20 1HB ASN 20 3.909 -8.128 8.390
152 HB3 ASN 20 2HB ASN 20 3.373 -9.521 7.454
153 HD21 ASN 20 2HD2 ASN 20 5.956 -8.339 8.895
154 HD22 ASN 20 1HD2 ASN 20 7.212 -8.906 7.853
155 H GLN 21 H GLN 21 4.918 -6.894 4.599
156 HA GLN 21 HA GLN 21 6.081 -4.714 6.059
157 HB2 GLN 21 1HB GLN 21 7.390 -6.070 4.466
158 HB3 GLN 21 2HB GLN 21 6.386 -5.477 3.149
159 HG2 GLN 21 1HG GLN 21 8.094 -4.028 2.921
160 HG3 GLN 21 2HG GLN 21 7.182 -3.137 4.138
161 HE21 GLN 21 2HE2 GLN 21 9.546 -2.319 4.221
162 HE22 GLN 21 1HE2 GLN 21 10.534 -3.060 5.429
163 H CYS 22 H CYS 22 3.894 -5.025 3.289
164 HA CYS 22 HA CYS 22 3.666 -2.293 2.693
165 HB2 CYS 22 1HB CYS 22 2.410 -4.748 1.874
166 HB3 CYS 22 2HB CYS 22 1.181 -3.511 2.120
167 H ASN 23 H ASN 23 1.273 -4.327 4.392
168 HA ASN 23 HA ASN 23 -0.368 -2.283 5.284
169 HB2 ASN 23 1HB ASN 23 -1.421 -3.867 6.599
170 HB3 ASN 23 2HB ASN 23 -0.590 -4.899 5.439
171 HD21 ASN 23 2HD2 ASN 23 -1.245 -4.484 8.615
172 HD22 ASN 23 1HD2 ASN 23 0.072 -5.364 9.306
173 H TYR 24 H TYR 24 2.694 -3.376 6.531
174 HA TYR 24 HA TYR 24 2.524 -2.169 9.087
175 HB2 TYR 24 1HB TYR 24 4.166 -3.861 8.791
176 HB3 TYR 24 2HB TYR 24 4.856 -3.049 7.390
177 HD1 TYR 24 HD1 TYR 24 4.070 -2.028 10.904
178 HD2 TYR 24 HD2 TYR 24 6.972 -2.247 7.801
179 HE1 TYR 24 HE1 TYR 24 5.706 -0.913 12.364
180 HE2 TYR 24 HE2 TYR 24 8.616 -1.136 9.252
181 HH TYR 24 HH TYR 24 8.866 0.063 11.171
182 H ASP 25 H ASP 25 4.057 -1.114 6.055
183 HA ASP 25 HA ASP 25 4.907 1.397 7.053
184 HB2 ASP 25 1HB ASP 25 6.052 0.674 5.143
185 HB3 ASP 25 2HB ASP 25 4.566 0.248 4.298
186 H CYS 26 H CYS 26 1.975 0.294 5.459
187 HA CYS 26 HA CYS 26 0.885 2.892 5.028
188 HB2 CYS 26 1HB CYS 26 -0.316 0.125 5.040
189 HB3 CYS 26 2HB CYS 26 -1.283 1.568 4.752
190 H LYS 27 H LYS 27 0.138 0.338 7.398
191 HA LYS 27 HA LYS 27 -1.667 1.919 8.900
192 HB2 LYS 27 1HB LYS 27 -0.120 -0.578 9.598
193 HB3 LYS 27 2HB LYS 27 -1.311 0.152 10.667
194 HG2 LYS 27 1HG LYS 27 -2.722 -0.060 8.351
195 HG3 LYS 27 2HG LYS 27 -1.681 -1.483 8.268
196 HD2 LYS 27 1HD LYS 27 -3.494 -0.738 10.564
197 HD3 LYS 27 2HD LYS 27 -3.792 -2.006 9.373
198 HE2 LYS 27 1HE LYS 27 -1.366 -2.760 10.232
199 HE3 LYS 27 2HE LYS 27 -1.954 -1.961 11.690
200 HZ1 LYS 27 3HZ LYS 27 -2.582 -4.515 10.753
201 HZ2 LYS 27 1HZ LYS 27 -3.997 -3.590 10.676
202 HZ3 LYS 27 2HZ LYS 27 -3.163 -3.741 12.141
203 H LEU 28 H LEU 28 1.674 2.053 8.615
204 HA LEU 28 HA LEU 28 2.275 2.871 11.306
205 HB2 LEU 28 1HB LEU 28 4.043 1.838 10.155
206 HB3 LEU 28 2HB LEU 28 3.813 2.848 8.729
207 HG LEU 28 HG LEU 28 4.529 4.356 11.131
208 HD11 LEU 28 1HD1 LEU 28 5.785 2.253 11.519
209 HD12 LEU 28 2HD1 LEU 28 6.821 3.653 11.244
210 HD13 LEU 28 3HD1 LEU 28 6.570 2.477 9.955
211 HD21 LEU 28 3HD2 LEU 28 5.358 5.742 9.592
212 HD22 LEU 28 1HD2 LEU 28 4.589 4.697 8.396
213 HD23 LEU 28 2HD2 LEU 28 6.285 4.457 8.815
214 H ASP 29 H ASP 29 2.481 4.593 8.186
215 HA ASP 29 HA ASP 29 2.207 7.130 9.608
216 HB2 ASP 29 1HB ASP 29 3.994 6.743 7.848
217 HB3 ASP 29 2HB ASP 29 2.698 6.733 6.656
218 H LYS 30 H LYS 30 0.748 5.463 6.819
219 HA LYS 30 HA LYS 30 -1.392 7.326 6.564
220 HB2 LYS 30 1HB LYS 30 -1.388 4.492 5.537
221 HB3 LYS 30 2HB LYS 30 -2.254 5.877 4.885
222 HG2 LYS 30 1HG LYS 30 0.463 6.572 4.849
223 HG3 LYS 30 2HG LYS 30 0.367 4.912 4.256
224 HD2 LYS 30 1HD LYS 30 0.063 6.122 2.314
225 HD3 LYS 30 2HD LYS 30 -1.603 5.837 2.819
226 HE2 LYS 30 1HE LYS 30 -0.316 8.276 3.875
227 HE3 LYS 30 2HE LYS 30 -0.640 8.257 2.143
228 HZ1 LYS 30 3HZ LYS 30 -2.451 8.628 4.286
229 HZ2 LYS 30 1HZ LYS 30 -2.923 7.291 3.363
230 HZ3 LYS 30 2HZ LYS 30 -2.719 8.800 2.625
231 H HIS 31 H HIS 31 -0.776 4.910 8.799
232 HA HIS 31 HA HIS 31 -2.027 3.792 10.346
233 HB2 HIS 31 1HB HIS 31 -3.588 6.347 9.991
234 HB3 HIS 31 2HB HIS 31 -4.019 5.143 11.202
235 HD1 HIS 31 HD1 HIS 31 -1.332 4.419 12.370
236 HD2 HIS 31 HD2 HIS 31 -2.409 8.318 11.420
237 HE1 HIS 31 HE1 HIS 31 0.139 5.887 13.786
238 H ALA 32 H ALA 32 -2.581 3.230 7.516
239 HA ALA 32 HA ALA 32 -5.322 2.930 7.013
240 HB1 ALA 32 3HB ALA 32 -4.618 2.118 5.063
241 HB2 ALA 32 1HB ALA 32 -2.978 2.401 5.645
242 HB3 ALA 32 2HB ALA 32 -3.723 0.814 5.843
243 H ARG 33 H ARG 33 -5.722 0.265 6.382
244 HA ARG 33 HA ARG 33 -5.526 -1.125 8.965
245 HB2 ARG 33 1HB ARG 33 -7.816 -0.004 8.382
246 HB3 ARG 33 2HB ARG 33 -7.997 -1.370 7.288
247 HG2 ARG 33 1HG ARG 33 -9.002 -2.247 9.117
248 HG3 ARG 33 2HG ARG 33 -7.340 -2.720 9.474
249 HD2 ARG 33 1HD ARG 33 -8.283 -0.060 10.413
250 HD3 ARG 33 2HD ARG 33 -8.858 -1.494 11.262
251 HE ARG 33 HE ARG 33 -6.259 -0.351 11.417
252 HH11 ARG 33 1HH1 ARG 33 -7.975 -3.379 11.486
253 HH12 ARG 33 2HH1 ARG 33 -6.778 -4.186 12.443
254 HH21 ARG 33 1HH2 ARG 33 -4.675 -1.401 12.677
255 HH22 ARG 33 2HH2 ARG 33 -4.901 -3.059 13.122
256 H SER 34 H SER 34 -6.041 -1.361 5.483
257 HA SER 34 HA SER 34 -4.976 -4.106 5.591
258 HB2 SER 34 1HB SER 34 -7.504 -3.726 4.960
259 HB3 SER 34 2HB SER 34 -6.833 -3.271 3.393
260 HG SER 34 HG SER 34 -6.962 -5.747 4.621
261 H GLY 35 H GLY 35 -3.394 -1.796 5.303
262 HA2 GLY 35 1HA GLY 35 -2.818 -0.925 2.752
263 HA3 GLY 35 2HA GLY 35 -1.615 -1.101 4.022
264 H GLU 36 H GLU 36 -2.345 -1.974 0.948
265 HA GLU 36 HA GLU 36 -0.353 -4.075 0.968
266 HB2 GLU 36 1HB GLU 36 -2.758 -5.047 1.338
267 HB3 GLU 36 2HB GLU 36 -2.937 -4.749 -0.384
268 HG2 GLU 36 1HG GLU 36 -1.223 -6.258 -0.933
269 HG3 GLU 36 2HG GLU 36 -0.647 -6.332 0.732
270 H CYS 37 H CYS 37 0.105 -4.830 -1.314
271 HA CYS 37 HA CYS 37 -0.046 -2.505 -3.103
272 HB2 CYS 37 1HB CYS 37 1.936 -3.321 -4.169
273 HB3 CYS 37 2HB CYS 37 2.208 -3.404 -2.431
274 H PHE 38 H PHE 38 -0.488 -2.796 -5.336
275 HA PHE 38 HA PHE 38 -1.365 -5.332 -6.348
276 HB2 PHE 38 1HB PHE 38 -3.276 -3.974 -4.919
277 HB3 PHE 38 2HB PHE 38 -3.589 -3.429 -6.563
278 HD1 PHE 38 HD2 PHE 38 -2.621 -6.688 -5.018
279 HD2 PHE 38 HD1 PHE 38 -5.323 -4.565 -7.531
280 HE1 PHE 38 HE2 PHE 38 -3.837 -8.779 -5.474
281 HE2 PHE 38 HE1 PHE 38 -6.542 -6.652 -7.990
282 HZ PHE 38 HZ PHE 38 -5.800 -8.763 -6.961
283 H TYR 39 H TYR 39 -1.943 -5.245 -8.606
284 HA TYR 39 HA TYR 39 -0.325 -3.498 -10.095
285 HB2 TYR 39 1HB TYR 39 -1.328 -4.499 -12.060
286 HB3 TYR 39 2HB TYR 39 -1.042 -5.751 -10.858
287 HD1 TYR 39 HD1 TYR 39 -2.925 -6.773 -9.655
288 HD2 TYR 39 HD2 TYR 39 -3.560 -3.902 -12.731
289 HE1 TYR 39 HE1 TYR 39 -5.284 -7.456 -9.799
290 HE2 TYR 39 HE2 TYR 39 -5.920 -4.577 -12.881
291 HH TYR 39 HH TYR 39 -7.119 -7.332 -11.773
292 H ASP 40 H ASP 40 -0.708 -1.625 -11.155
293 HA ASP 40 HA ASP 40 -3.227 -0.269 -10.553
294 HB2 ASP 40 1HB ASP 40 -0.628 0.600 -10.430
295 HB3 ASP 40 2HB ASP 40 -1.158 1.251 -11.979
296 H GLU 41 H GLU 41 -3.659 1.477 -12.456
297 HA GLU 41 HA GLU 41 -4.692 -0.058 -14.601
298 HB2 GLU 41 1HB GLU 41 -5.447 2.057 -15.523
299 HB3 GLU 41 2HB GLU 41 -5.745 2.022 -13.791
300 HG2 GLU 41 1HG GLU 41 -3.551 3.284 -13.548
301 HG3 GLU 41 2HG GLU 41 -3.645 3.548 -15.288
302 H LYS 42 H LYS 42 -1.667 1.449 -14.060
303 HA LYS 42 HA LYS 42 -0.986 1.372 -16.912
304 HB2 LYS 42 1HB LYS 42 0.558 2.531 -14.583
305 HB3 LYS 42 2HB LYS 42 1.020 2.641 -16.277
306 HG2 LYS 42 1HG LYS 42 -1.655 3.662 -15.500
307 HG3 LYS 42 2HG LYS 42 -0.235 4.604 -15.040
308 HD2 LYS 42 1HD LYS 42 -0.633 5.506 -17.099
309 HD3 LYS 42 2HD LYS 42 0.417 4.167 -17.571
310 HE2 LYS 42 1HE LYS 42 -1.303 2.960 -18.480
311 HE3 LYS 42 2HE LYS 42 -2.512 3.674 -17.414
312 HZ1 LYS 42 3HZ LYS 42 -3.037 4.731 -19.332
313 HZ2 LYS 42 1HZ LYS 42 -1.468 4.650 -19.961
314 HZ3 LYS 42 2HZ LYS 42 -1.851 5.811 -18.791
315 H ARG 43 H ARG 43 -1.281 -0.996 -15.120
316 HA ARG 43 HA ARG 43 -0.256 -2.987 -14.722
317 HB2 ARG 43 1HB ARG 43 1.269 -1.928 -17.077
318 HB3 ARG 43 2HB ARG 43 1.764 -3.432 -16.314
319 HG2 ARG 43 1HG ARG 43 0.378 -4.249 -17.920
320 HG3 ARG 43 2HG ARG 43 -0.786 -4.025 -16.612
321 HD2 ARG 43 1HD ARG 43 -1.752 -3.129 -18.598
322 HD3 ARG 43 2HD ARG 43 -1.298 -1.772 -17.568
323 HE ARG 43 HE ARG 43 0.746 -2.447 -19.448
324 HH11 ARG 43 1HH1 ARG 43 -2.256 -0.732 -19.039
325 HH12 ARG 43 2HH1 ARG 43 -1.943 0.385 -20.327
326 HH21 ARG 43 1HH2 ARG 43 1.168 -0.984 -21.145
327 HH22 ARG 43 2HH2 ARG 43 0.004 0.240 -21.525
328 H ASN 44 H ASN 44 0.671 -0.493 -13.340
329 HA ASN 44 HA ASN 44 3.425 -1.258 -12.673
330 HB2 ASN 44 1HB ASN 44 1.894 1.261 -11.985
331 HB3 ASN 44 2HB ASN 44 3.584 0.950 -11.599
332 HD21 ASN 44 2HD2 ASN 44 2.594 3.126 -13.116
333 HD22 ASN 44 1HD2 ASN 44 3.249 2.996 -14.709
334 H LEU 45 H LEU 45 3.891 -2.212 -10.797
335 HA LEU 45 HA LEU 45 1.736 -2.707 -8.908
336 HB2 LEU 45 1HB LEU 45 4.560 -3.713 -8.715
337 HB3 LEU 45 2HB LEU 45 3.108 -4.389 -7.979
338 HG LEU 45 HG LEU 45 3.556 -4.349 -10.955
339 HD11 LEU 45 1HD1 LEU 45 4.125 -6.798 -10.596
340 HD12 LEU 45 2HD1 LEU 45 4.405 -6.375 -8.908
341 HD13 LEU 45 3HD1 LEU 45 5.370 -5.621 -10.177
342 HD21 LEU 45 3HD2 LEU 45 1.899 -6.329 -9.471
343 HD22 LEU 45 1HD2 LEU 45 1.716 -5.704 -11.110
344 HD23 LEU 45 2HD2 LEU 45 1.258 -4.706 -9.730
345 H GLN 46 H GLN 46 1.408 -1.373 -7.266
346 HA GLN 46 HA GLN 46 3.729 -0.219 -5.891
347 HB2 GLN 46 1HB GLN 46 1.218 1.365 -6.413
348 HB3 GLN 46 2HB GLN 46 2.749 1.947 -5.773
349 HG2 GLN 46 1HG GLN 46 2.356 0.891 -8.564
350 HG3 GLN 46 2HG GLN 46 2.333 2.597 -8.121
351 HE21 GLN 46 2HE2 GLN 46 4.086 1.908 -9.977
352 HE22 GLN 46 1HE2 GLN 46 5.696 1.876 -9.355
353 H CYS 47 H CYS 47 3.154 0.635 -3.710
354 HA CYS 47 HA CYS 47 1.323 -1.234 -2.414
355 HB2 CYS 47 1HB CYS 47 3.708 -0.884 -1.622
356 HB3 CYS 47 2HB CYS 47 3.203 0.712 -1.076
357 H ILE 48 H ILE 48 -0.715 -0.576 -2.237
358 HA ILE 48 HA ILE 48 -1.266 2.271 -1.785
359 HB ILE 48 HB ILE 48 -3.216 0.094 -2.543
360 HG12 ILE 48 1HG1 ILE 48 -3.021 1.756 -4.709
361 HG13 ILE 48 2HG1 ILE 48 -1.358 1.729 -4.135
362 HG21 ILE 48 1HG2 ILE 48 -3.489 3.098 -2.550
363 HG22 ILE 48 2HG2 ILE 48 -4.709 1.946 -3.093
364 HG23 ILE 48 3HG2 ILE 48 -4.234 1.992 -1.395
365 HD11 ILE 48 3HD1 ILE 48 -1.082 -0.180 -5.208
366 HD12 ILE 48 1HD1 ILE 48 -2.227 -0.931 -4.097
367 HD13 ILE 48 2HD1 ILE 48 -2.796 -0.245 -5.619
368 H CYS 49 H CYS 49 -2.505 2.980 -0.069
369 HA CYS 49 HA CYS 49 -2.888 1.019 2.094
370 HB2 CYS 49 1HB CYS 49 -2.676 4.004 2.456
371 HB3 CYS 49 2HB CYS 49 -2.497 2.744 3.675
372 H ASP 50 H ASP 50 -4.788 1.058 3.313
373 HA ASP 50 HA ASP 50 -6.972 2.718 2.255
374 HB2 ASP 50 1HB ASP 50 -7.150 0.433 1.327
375 HB3 ASP 50 2HB ASP 50 -7.184 -0.216 2.965
376 H TYR 51 H TYR 51 -7.887 3.887 3.797
377 HA TYR 51 HA TYR 51 -7.840 2.858 6.559
378 HB2 TYR 51 1HB TYR 51 -6.283 4.784 6.159
379 HB3 TYR 51 2HB TYR 51 -7.684 5.768 5.753
380 HD1 TYR 51 HD2 TYR 51 -7.336 3.241 8.462
381 HD2 TYR 51 HD1 TYR 51 -7.754 7.357 7.467
382 HE1 TYR 51 HE2 TYR 51 -7.639 3.780 10.843
383 HE2 TYR 51 HE1 TYR 51 -8.058 7.908 9.845
384 HH TYR 51 HH TYR 51 -7.190 6.426 12.201
385 H CYS 52 H CYS 52 -9.821 2.362 7.199
386 HA CYS 52 HA CYS 52 -12.100 3.842 6.087
387 HB2 CYS 52 1HB CYS 52 -11.876 1.129 7.388
388 HB3 CYS 52 2HB CYS 52 -13.427 1.909 7.092
389 H GLU 53 H GLU 53 -14.009 3.976 7.686
390 HA GLU 53 HA GLU 53 -13.036 4.698 10.366
391 HB2 GLU 53 1HB GLU 53 -14.624 6.351 8.440
392 HB3 GLU 53 2HB GLU 53 -14.870 6.563 10.168
393 HG2 GLU 53 1HG GLU 53 -12.350 6.879 10.323
394 HG3 GLU 53 2HG GLU 53 -12.381 7.036 8.567
395 H TYR 54 H TYR 54 -13.993 3.339 11.724
396 HA TYR 54 HA TYR 54 -16.586 2.201 11.134
397 HB2 TYR 54 1HB TYR 54 -14.534 1.775 13.283
398 HB3 TYR 54 2HB TYR 54 -16.159 1.124 13.463
399 HD1 TYR 54 HD2 TYR 54 -17.022 -0.250 11.367
400 HD2 TYR 54 HD1 TYR 54 -12.927 0.450 12.284
401 HE1 TYR 54 HE2 TYR 54 -16.392 -2.208 10.019
402 HE2 TYR 54 HE1 TYR 54 -12.284 -1.505 10.938
403 HH TYR 54 HH TYR 54 -13.937 -3.852 10.198
Start of MODEL 15
1 H1 ASP 2 H ASP 2 -17.023 2.931 1.419
2 HA ASP 2 HA ASP 2 -17.112 5.877 1.392
3 HB2 ASP 2 1HB ASP 2 -18.033 4.065 3.630
4 HB3 ASP 2 2HB ASP 2 -18.244 5.810 3.521
5 H CYS 3 H CYS 3 -14.698 4.447 1.112
6 HA CYS 3 HA CYS 3 -13.386 5.124 3.661
7 HB2 CYS 3 1HB CYS 3 -12.405 2.935 1.837
8 HB3 CYS 3 2HB CYS 3 -11.946 3.252 3.507
9 H LYS 4 H LYS 4 -10.918 5.335 3.280
10 HA LYS 4 HA LYS 4 -10.499 6.872 0.799
11 HB2 LYS 4 1HB LYS 4 -10.444 8.495 2.471
12 HB3 LYS 4 2HB LYS 4 -9.670 7.420 3.628
13 HG2 LYS 4 1HG LYS 4 -7.579 7.814 2.811
14 HG3 LYS 4 2HG LYS 4 -8.159 8.154 1.180
15 HD2 LYS 4 1HD LYS 4 -8.891 10.326 1.801
16 HD3 LYS 4 2HD LYS 4 -8.675 9.979 3.518
17 HE2 LYS 4 1HE LYS 4 -6.356 9.848 1.629
18 HE3 LYS 4 2HE LYS 4 -6.897 11.396 2.275
19 HZ1 LYS 4 3HZ LYS 4 -5.245 9.527 3.499
20 HZ2 LYS 4 1HZ LYS 4 -6.695 9.528 4.372
21 HZ3 LYS 4 2HZ LYS 4 -5.837 10.970 4.155
22 H ARG 5 H ARG 5 -9.035 6.030 -0.519
23 HA ARG 5 HA ARG 5 -6.859 4.417 0.642
24 HB2 ARG 5 1HB ARG 5 -6.907 3.091 -1.480
25 HB3 ARG 5 2HB ARG 5 -8.345 2.910 -0.485
26 HG2 ARG 5 1HG ARG 5 -9.247 3.131 -2.584
27 HG3 ARG 5 2HG ARG 5 -9.303 4.794 -1.996
28 HD2 ARG 5 1HD ARG 5 -7.577 5.475 -3.360
29 HD3 ARG 5 2HD ARG 5 -6.897 3.854 -3.484
30 HE ARG 5 HE ARG 5 -9.349 3.734 -4.728
31 HH11 ARG 5 1HH1 ARG 5 -6.400 5.541 -5.122
32 HH12 ARG 5 2HH1 ARG 5 -6.587 5.722 -6.835
33 HH21 ARG 5 1HH2 ARG 5 -9.607 3.967 -6.982
34 HH22 ARG 5 2HH2 ARG 5 -8.411 4.828 -7.892
35 H LYS 6 H LYS 6 -4.903 4.307 -0.724
36 HA LYS 6 HA LYS 6 -4.485 6.192 -2.814
37 HB2 LYS 6 1HB LYS 6 -4.512 7.813 -1.022
38 HB3 LYS 6 2HB LYS 6 -3.384 6.850 -0.077
39 HG2 LYS 6 1HG LYS 6 -1.578 7.441 -1.376
40 HG3 LYS 6 2HG LYS 6 -2.579 7.825 -2.779
41 HD2 LYS 6 1HD LYS 6 -2.630 9.429 -0.230
42 HD3 LYS 6 2HD LYS 6 -1.558 9.800 -1.583
43 HE2 LYS 6 1HE LYS 6 -3.772 9.722 -2.971
44 HE3 LYS 6 2HE LYS 6 -4.534 9.990 -1.404
45 HZ1 LYS 6 3HZ LYS 6 -3.630 12.067 -1.214
46 HZ2 LYS 6 1HZ LYS 6 -3.834 11.991 -2.891
47 HZ3 LYS 6 2HZ LYS 6 -2.309 11.723 -2.213
48 H VAL 7 H VAL 7 -2.506 5.909 -3.843
49 HA VAL 7 HA VAL 7 -0.936 3.616 -2.869
50 HB VAL 7 HB VAL 7 -2.017 3.227 -5.032
51 HG11 VAL 7 1HG1 VAL 7 -0.345 5.514 -6.066
52 HG12 VAL 7 2HG1 VAL 7 -1.468 4.515 -6.991
53 HG13 VAL 7 3HG1 VAL 7 -2.076 5.602 -5.743
54 HG21 VAL 7 3HG2 VAL 7 -0.038 2.523 -6.278
55 HG22 VAL 7 1HG2 VAL 7 0.974 3.556 -5.267
56 HG23 VAL 7 2HG2 VAL 7 0.142 2.171 -4.559
57 H TYR 8 H TYR 8 1.253 3.760 -2.668
58 HA TYR 8 HA TYR 8 2.384 6.453 -2.843
59 HB2 TYR 8 1HB TYR 8 2.540 4.508 -0.880
60 HB3 TYR 8 2HB TYR 8 4.099 4.392 -1.688
61 HD1 TYR 8 HD1 TYR 8 1.787 6.938 -0.236
62 HD2 TYR 8 HD2 TYR 8 5.811 5.806 -1.029
63 HE1 TYR 8 HE1 TYR 8 2.581 8.894 1.027
64 HE2 TYR 8 HE2 TYR 8 6.616 7.758 0.232
65 HH TYR 8 HH TYR 8 5.757 10.001 0.897
66 H GLU 9 H GLU 9 3.756 6.999 -4.400
67 HA GLU 9 HA GLU 9 4.642 4.992 -6.293
68 HB2 GLU 9 1HB GLU 9 5.433 6.884 -7.621
69 HB3 GLU 9 2HB GLU 9 3.770 7.132 -7.111
70 HG2 GLU 9 1HG GLU 9 4.912 8.418 -5.127
71 HG3 GLU 9 2HG GLU 9 6.244 8.549 -6.274
72 H ASN 10 H ASN 10 5.868 6.542 -3.529
73 HA ASN 10 HA ASN 10 8.657 6.189 -4.301
74 HB2 ASN 10 1HB ASN 10 7.299 7.422 -1.911
75 HB3 ASN 10 2HB ASN 10 9.032 7.106 -1.927
76 HD21 ASN 10 2HD2 ASN 10 10.320 8.162 -3.526
77 HD22 ASN 10 1HD2 ASN 10 9.812 9.674 -4.191
78 H TYR 11 H TYR 11 6.543 4.023 -3.629
79 HA TYR 11 HA TYR 11 7.901 2.675 -1.422
80 HB2 TYR 11 1HB TYR 11 5.384 2.794 -1.557
81 HB3 TYR 11 2HB TYR 11 5.475 1.733 -2.959
82 HD1 TYR 11 HD1 TYR 11 6.701 -0.532 -2.606
83 HD2 TYR 11 HD2 TYR 11 5.220 1.878 0.572
84 HE1 TYR 11 HE1 TYR 11 6.702 -2.495 -1.125
85 HE2 TYR 11 HE2 TYR 11 5.218 -0.079 2.062
86 HH TYR 11 HH TYR 11 6.206 -3.284 0.888
87 HA PRO 12 HA PRO 12 10.336 0.217 -4.169
88 HB2 PRO 12 1HB PRO 12 11.087 -1.684 -2.383
89 HB3 PRO 12 2HB PRO 12 11.768 -0.053 -2.393
90 HG2 PRO 12 1HG PRO 12 9.612 -1.194 -0.658
91 HG3 PRO 12 2HG PRO 12 10.970 -0.146 -0.211
92 HD2 PRO 12 1HD PRO 12 8.459 0.799 -0.572
93 HD3 PRO 12 2HD PRO 12 9.903 1.761 -0.944
94 H VAL 13 H VAL 13 9.531 -1.105 -5.663
95 HA VAL 13 HA VAL 13 7.233 -2.708 -5.278
96 HB VAL 13 HB VAL 13 9.284 -2.862 -7.493
97 HG11 VAL 13 1HG1 VAL 13 6.774 -4.290 -6.962
98 HG12 VAL 13 2HG1 VAL 13 6.915 -3.612 -8.586
99 HG13 VAL 13 3HG1 VAL 13 8.139 -4.732 -7.987
100 HG21 VAL 13 3HG2 VAL 13 7.220 -1.598 -8.615
101 HG22 VAL 13 1HG2 VAL 13 7.003 -1.048 -6.952
102 HG23 VAL 13 2HG2 VAL 13 8.524 -0.740 -7.792
103 H SER 14 H SER 14 10.625 -3.297 -4.877
104 HA SER 14 HA SER 14 10.604 -6.115 -5.068
105 HB2 SER 14 1HB SER 14 12.456 -4.106 -3.828
106 HB3 SER 14 2HB SER 14 12.701 -5.826 -3.526
107 HG SER 14 HG SER 14 12.678 -4.494 -6.029
108 H LYS 15 H LYS 15 10.362 -3.933 -2.274
109 HA LYS 15 HA LYS 15 9.987 -6.077 -0.410
110 HB2 LYS 15 1HB LYS 15 9.325 -3.170 0.041
111 HB3 LYS 15 2HB LYS 15 9.729 -4.384 1.249
112 HG2 LYS 15 1HG LYS 15 11.588 -3.210 -0.809
113 HG3 LYS 15 2HG LYS 15 11.590 -2.890 0.928
114 HD2 LYS 15 1HD LYS 15 12.057 -5.598 -0.319
115 HD3 LYS 15 2HD LYS 15 13.337 -4.505 0.213
116 HE2 LYS 15 1HE LYS 15 11.199 -5.762 1.931
117 HE3 LYS 15 2HE LYS 15 12.916 -6.164 1.920
118 HZ1 LYS 15 3HZ LYS 15 12.679 -4.762 3.734
119 HZ2 LYS 15 1HZ LYS 15 11.601 -3.728 2.941
120 HZ3 LYS 15 2HZ LYS 15 13.240 -3.716 2.529
121 H CYS 16 H CYS 16 7.958 -4.331 -2.534
122 HA CYS 16 HA CYS 16 5.520 -4.312 -1.204
123 HB2 CYS 16 1HB CYS 16 6.439 -3.866 -3.850
124 HB3 CYS 16 2HB CYS 16 5.089 -4.991 -3.955
125 H GLN 17 H GLN 17 7.220 -6.941 -2.757
126 HA GLN 17 HA GLN 17 5.189 -8.795 -3.078
127 HB2 GLN 17 1HB GLN 17 6.897 -10.500 -3.009
128 HB3 GLN 17 2HB GLN 17 7.528 -9.090 -3.851
129 HG2 GLN 17 1HG GLN 17 8.485 -8.449 -1.529
130 HG3 GLN 17 2HG GLN 17 8.233 -10.154 -1.154
131 HE21 GLN 17 2HE2 GLN 17 10.714 -9.452 -0.962
132 HE22 GLN 17 1HE2 GLN 17 11.661 -9.934 -2.323
133 H LEU 18 H LEU 18 6.729 -7.678 -0.174
134 HA LEU 18 HA LEU 18 5.727 -9.836 1.462
135 HB2 LEU 18 1HB LEU 18 7.143 -7.257 2.074
136 HB3 LEU 18 2HB LEU 18 6.555 -8.337 3.337
137 HG LEU 18 HG LEU 18 8.467 -9.286 1.223
138 HD11 LEU 18 1HD1 LEU 18 9.082 -7.847 3.790
139 HD12 LEU 18 2HD1 LEU 18 9.620 -7.446 2.160
140 HD13 LEU 18 3HD1 LEU 18 10.244 -8.886 2.964
141 HD21 LEU 18 3HD2 LEU 18 8.680 -11.150 2.489
142 HD22 LEU 18 1HD2 LEU 18 7.058 -10.692 3.010
143 HD23 LEU 18 2HD2 LEU 18 8.454 -10.282 4.008
144 H ALA 19 H ALA 19 3.793 -9.930 2.391
145 HA ALA 19 HA ALA 19 1.872 -7.852 2.002
146 HB1 ALA 19 3HB ALA 19 0.571 -9.452 3.664
147 HB2 ALA 19 1HB ALA 19 0.822 -9.873 1.969
148 HB3 ALA 19 2HB ALA 19 1.865 -10.563 3.214
149 H ASN 20 H ASN 20 3.403 -9.245 4.905
150 HA ASN 20 HA ASN 20 2.222 -7.479 6.746
151 HB2 ASN 20 1HB ASN 20 4.657 -9.234 6.807
152 HB3 ASN 20 2HB ASN 20 4.328 -8.134 8.142
153 HD21 ASN 20 2HD2 ASN 20 1.784 -8.231 8.638
154 HD22 ASN 20 1HD2 ASN 20 1.228 -9.835 8.965
155 H GLN 21 H GLN 21 4.682 -6.995 4.443
156 HA GLN 21 HA GLN 21 6.022 -4.855 5.826
157 HB2 GLN 21 1HB GLN 21 7.168 -6.299 4.160
158 HB3 GLN 21 2HB GLN 21 6.145 -5.616 2.903
159 HG2 GLN 21 1HG GLN 21 8.237 -4.511 2.802
160 HG3 GLN 21 2HG GLN 21 7.071 -3.373 3.475
161 HE21 GLN 21 2HE2 GLN 21 9.121 -5.973 4.761
162 HE22 GLN 21 1HE2 GLN 21 9.805 -5.032 6.037
163 H CYS 22 H CYS 22 3.652 -5.132 3.210
164 HA CYS 22 HA CYS 22 3.490 -2.381 2.616
165 HB2 CYS 22 1HB CYS 22 2.197 -4.795 1.780
166 HB3 CYS 22 2HB CYS 22 0.966 -3.585 2.124
167 H ASN 23 H ASN 23 1.118 -4.391 4.371
168 HA ASN 23 HA ASN 23 -0.482 -2.353 5.321
169 HB2 ASN 23 1HB ASN 23 -1.468 -3.928 6.702
170 HB3 ASN 23 2HB ASN 23 -0.688 -4.965 5.511
171 HD21 ASN 23 2HD2 ASN 23 -1.296 -4.744 8.647
172 HD22 ASN 23 1HD2 ASN 23 0.092 -5.531 9.308
173 H TYR 24 H TYR 24 2.621 -3.441 6.483
174 HA TYR 24 HA TYR 24 2.526 -2.147 9.011
175 HB2 TYR 24 1HB TYR 24 4.097 -3.926 8.713
176 HB3 TYR 24 2HB TYR 24 4.824 -3.135 7.319
177 HD1 TYR 24 HD1 TYR 24 4.235 -2.593 10.966
178 HD2 TYR 24 HD2 TYR 24 6.758 -1.892 7.612
179 HE1 TYR 24 HE1 TYR 24 5.889 -1.528 12.440
180 HE2 TYR 24 HE2 TYR 24 8.419 -0.825 9.078
181 HH TYR 24 HH TYR 24 8.288 0.405 11.419
182 H ASP 25 H ASP 25 4.027 -1.267 5.908
183 HA ASP 25 HA ASP 25 4.953 1.266 6.809
184 HB2 ASP 25 1HB ASP 25 5.941 0.065 4.883
185 HB3 ASP 25 2HB ASP 25 4.452 0.324 3.977
186 H CYS 26 H CYS 26 1.955 0.110 5.488
187 HA CYS 26 HA CYS 26 0.944 2.718 4.810
188 HB2 CYS 26 1HB CYS 26 -0.290 -0.028 4.952
189 HB3 CYS 26 2HB CYS 26 -1.258 1.407 4.632
190 H LYS 27 H LYS 27 0.210 0.324 7.343
191 HA LYS 27 HA LYS 27 -1.578 2.029 8.750
192 HB2 LYS 27 1HB LYS 27 -0.108 -0.477 9.572
193 HB3 LYS 27 2HB LYS 27 -1.274 0.342 10.603
194 HG2 LYS 27 1HG LYS 27 -2.706 0.061 8.317
195 HG3 LYS 27 2HG LYS 27 -1.696 -1.385 8.274
196 HD2 LYS 27 1HD LYS 27 -3.464 -0.521 10.563
197 HD3 LYS 27 2HD LYS 27 -3.807 -1.821 9.420
198 HE2 LYS 27 1HE LYS 27 -1.408 -2.631 10.262
199 HE3 LYS 27 2HE LYS 27 -1.908 -1.731 11.693
200 HZ1 LYS 27 3HZ LYS 27 -2.883 -3.663 12.228
201 HZ2 LYS 27 1HZ LYS 27 -2.918 -4.229 10.634
202 HZ3 LYS 27 2HZ LYS 27 -4.106 -3.155 11.176
203 H LEU 28 H LEU 28 1.763 2.052 8.450
204 HA LEU 28 HA LEU 28 2.395 2.985 11.098
205 HB2 LEU 28 1HB LEU 28 4.114 1.824 9.975
206 HB3 LEU 28 2HB LEU 28 3.936 2.811 8.526
207 HG LEU 28 HG LEU 28 4.827 4.749 9.825
208 HD11 LEU 28 1HD1 LEU 28 4.808 2.704 11.947
209 HD12 LEU 28 2HD1 LEU 28 4.652 4.457 12.053
210 HD13 LEU 28 3HD1 LEU 28 6.245 3.724 11.863
211 HD21 LEU 28 3HD2 LEU 28 6.167 2.627 8.622
212 HD22 LEU 28 1HD2 LEU 28 7.037 2.916 10.129
213 HD23 LEU 28 2HD2 LEU 28 6.814 4.231 8.973
214 H ASP 29 H ASP 29 2.652 4.534 7.892
215 HA ASP 29 HA ASP 29 2.465 7.149 9.177
216 HB2 ASP 29 1HB ASP 29 3.442 6.152 6.548
217 HB3 ASP 29 2HB ASP 29 2.812 7.795 6.611
218 H LYS 30 H LYS 30 0.933 5.381 6.493
219 HA LYS 30 HA LYS 30 -1.143 7.298 6.142
220 HB2 LYS 30 1HB LYS 30 -0.462 4.635 5.042
221 HB3 LYS 30 2HB LYS 30 -2.165 5.073 4.995
222 HG2 LYS 30 1HG LYS 30 -0.046 6.920 3.956
223 HG3 LYS 30 2HG LYS 30 -0.722 5.628 2.962
224 HD2 LYS 30 1HD LYS 30 -2.648 7.382 4.372
225 HD3 LYS 30 2HD LYS 30 -1.748 8.099 3.033
226 HE2 LYS 30 1HE LYS 30 -3.518 7.252 1.874
227 HE3 LYS 30 2HE LYS 30 -2.458 5.844 1.837
228 HZ1 LYS 30 3HZ LYS 30 -3.643 4.931 3.722
229 HZ2 LYS 30 1HZ LYS 30 -4.725 5.261 2.464
230 HZ3 LYS 30 2HZ LYS 30 -4.641 6.295 3.800
231 H HIS 31 H HIS 31 -0.596 4.993 8.508
232 HA HIS 31 HA HIS 31 -1.873 4.006 10.120
233 HB2 HIS 31 1HB HIS 31 -3.495 6.514 9.640
234 HB3 HIS 31 2HB HIS 31 -3.699 5.444 11.024
235 HD1 HIS 31 HD1 HIS 31 -0.719 4.997 11.721
236 HD2 HIS 31 HD2 HIS 31 -2.411 8.694 10.870
237 HE1 HIS 31 HE1 HIS 31 0.785 6.692 12.813
238 H ALA 32 H ALA 32 -2.463 3.301 7.334
239 HA ALA 32 HA ALA 32 -5.218 3.068 6.860
240 HB1 ALA 32 3HB ALA 32 -2.914 2.402 5.500
241 HB2 ALA 32 1HB ALA 32 -3.674 0.841 5.811
242 HB3 ALA 32 2HB ALA 32 -4.566 2.102 4.959
243 H ARG 33 H ARG 33 -5.681 0.371 6.374
244 HA ARG 33 HA ARG 33 -5.515 -0.879 9.029
245 HB2 ARG 33 1HB ARG 33 -7.761 0.281 8.501
246 HB3 ARG 33 2HB ARG 33 -8.016 -1.042 7.370
247 HG2 ARG 33 1HG ARG 33 -7.407 -2.487 9.505
248 HG3 ARG 33 2HG ARG 33 -8.003 -1.047 10.332
249 HD2 ARG 33 1HD ARG 33 -9.990 -2.102 10.105
250 HD3 ARG 33 2HD ARG 33 -9.946 -1.342 8.514
251 HE ARG 33 HE ARG 33 -8.680 -3.856 8.399
252 HH11 ARG 33 1HH1 ARG 33 -11.838 -2.428 8.726
253 HH12 ARG 33 2HH1 ARG 33 -12.662 -3.768 8.001
254 HH21 ARG 33 1HH2 ARG 33 -9.754 -5.626 7.442
255 HH22 ARG 33 2HH2 ARG 33 -11.476 -5.587 7.272
256 H SER 34 H SER 34 -6.106 -1.281 5.572
257 HA SER 34 HA SER 34 -5.103 -4.041 5.803
258 HB2 SER 34 1HB SER 34 -7.618 -3.780 5.304
259 HB3 SER 34 2HB SER 34 -7.109 -3.212 3.715
260 HG SER 34 HG SER 34 -7.001 -5.250 3.236
261 H GLY 35 H GLY 35 -3.505 -1.770 5.310
262 HA2 GLY 35 1HA GLY 35 -3.028 -1.099 2.669
263 HA3 GLY 35 2HA GLY 35 -1.789 -1.152 3.914
264 H GLU 36 H GLU 36 -2.447 -2.209 0.934
265 HA GLU 36 HA GLU 36 -0.580 -4.427 1.182
266 HB2 GLU 36 1HB GLU 36 -3.315 -4.934 1.048
267 HB3 GLU 36 2HB GLU 36 -2.753 -5.167 -0.602
268 HG2 GLU 36 1HG GLU 36 -2.650 -7.268 0.477
269 HG3 GLU 36 2HG GLU 36 -0.992 -6.693 0.303
270 H CYS 37 H CYS 37 -0.006 -5.285 -1.059
271 HA CYS 37 HA CYS 37 0.267 -2.978 -2.858
272 HB2 CYS 37 1HB CYS 37 1.905 -5.498 -2.556
273 HB3 CYS 37 2HB CYS 37 2.138 -4.347 -3.867
274 H PHE 38 H PHE 38 -0.185 -3.141 -5.048
275 HA PHE 38 HA PHE 38 -1.001 -5.559 -6.301
276 HB2 PHE 38 1HB PHE 38 -3.037 -3.956 -4.946
277 HB3 PHE 38 2HB PHE 38 -3.391 -4.218 -6.651
278 HD1 PHE 38 HD1 PHE 38 -2.703 -6.817 -7.324
279 HD2 PHE 38 HD2 PHE 38 -4.119 -5.414 -3.563
280 HE1 PHE 38 HE1 PHE 38 -3.541 -9.070 -6.803
281 HE2 PHE 38 HE2 PHE 38 -4.960 -7.665 -3.036
282 HZ PHE 38 HZ PHE 38 -4.671 -9.497 -4.656
283 H TYR 39 H TYR 39 -2.157 -4.997 -8.474
284 HA TYR 39 HA TYR 39 -0.430 -3.208 -9.864
285 HB2 TYR 39 1HB TYR 39 -2.922 -4.651 -10.788
286 HB3 TYR 39 2HB TYR 39 -1.804 -3.796 -11.845
287 HD1 TYR 39 HD2 TYR 39 -2.093 -6.664 -9.515
288 HD2 TYR 39 HD1 TYR 39 0.166 -4.837 -12.624
289 HE1 TYR 39 HE2 TYR 39 -0.740 -8.707 -9.725
290 HE2 TYR 39 HE1 TYR 39 1.525 -6.875 -12.842
291 HH TYR 39 HH TYR 39 0.731 -9.727 -11.882
292 H ASP 40 H ASP 40 -0.850 -1.232 -10.788
293 HA ASP 40 HA ASP 40 -3.248 0.142 -9.781
294 HB2 ASP 40 1HB ASP 40 -1.917 2.236 -10.306
295 HB3 ASP 40 2HB ASP 40 -1.286 1.237 -8.999
296 H GLU 41 H GLU 41 -3.570 2.230 -11.359
297 HA GLU 41 HA GLU 41 -4.833 1.224 -13.638
298 HB2 GLU 41 1HB GLU 41 -5.181 3.529 -14.289
299 HB3 GLU 41 2HB GLU 41 -5.406 3.372 -12.552
300 HG2 GLU 41 1HG GLU 41 -3.155 4.258 -12.184
301 HG3 GLU 41 2HG GLU 41 -2.947 4.434 -13.926
302 H LYS 42 H LYS 42 -1.558 2.156 -13.100
303 HA LYS 42 HA LYS 42 -0.971 2.266 -15.959
304 HB2 LYS 42 1HB LYS 42 0.923 2.642 -13.636
305 HB3 LYS 42 2HB LYS 42 1.224 3.045 -15.322
306 HG2 LYS 42 1HG LYS 42 -0.433 4.792 -15.248
307 HG3 LYS 42 2HG LYS 42 -0.878 4.342 -13.600
308 HD2 LYS 42 1HD LYS 42 0.539 6.151 -13.272
309 HD3 LYS 42 2HD LYS 42 1.619 4.770 -13.066
310 HE2 LYS 42 1HE LYS 42 2.537 5.052 -15.231
311 HE3 LYS 42 2HE LYS 42 1.272 6.188 -15.697
312 HZ1 LYS 42 3HZ LYS 42 3.395 6.664 -13.675
313 HZ2 LYS 42 1HZ LYS 42 2.149 7.746 -14.045
314 HZ3 LYS 42 2HZ LYS 42 3.305 7.358 -15.216
315 H ARG 43 H ARG 43 -1.716 -0.211 -14.396
316 HA ARG 43 HA ARG 43 -1.101 -2.399 -14.230
317 HB2 ARG 43 1HB ARG 43 0.217 -1.471 -16.756
318 HB3 ARG 43 2HB ARG 43 0.489 -3.111 -16.182
319 HG2 ARG 43 1HG ARG 43 -2.282 -2.026 -16.521
320 HG3 ARG 43 2HG ARG 43 -1.384 -2.709 -17.879
321 HD2 ARG 43 1HD ARG 43 -2.034 -4.112 -15.288
322 HD3 ARG 43 2HD ARG 43 -2.824 -4.383 -16.841
323 HE ARG 43 HE ARG 43 -0.351 -5.488 -15.970
324 HH11 ARG 43 1HH1 ARG 43 -2.046 -4.332 -18.783
325 HH12 ARG 43 2HH1 ARG 43 -1.152 -5.322 -19.889
326 HH21 ARG 43 1HH2 ARG 43 0.832 -6.795 -17.415
327 HH22 ARG 43 2HH2 ARG 43 0.484 -6.724 -19.110
328 H ASN 44 H ASN 44 0.485 -0.458 -12.738
329 HA ASN 44 HA ASN 44 3.082 -1.844 -12.651
330 HB2 ASN 44 1HB ASN 44 2.565 0.868 -12.830
331 HB3 ASN 44 2HB ASN 44 2.893 0.636 -11.115
332 HD21 ASN 44 2HD2 ASN 44 4.205 0.839 -14.245
333 HD22 ASN 44 1HD2 ASN 44 5.856 0.548 -13.826
334 H LEU 45 H LEU 45 3.904 -2.557 -10.683
335 HA LEU 45 HA LEU 45 1.888 -3.163 -8.688
336 HB2 LEU 45 1HB LEU 45 4.796 -3.937 -8.677
337 HB3 LEU 45 2HB LEU 45 3.486 -4.671 -7.754
338 HG LEU 45 HG LEU 45 3.290 -4.759 -10.715
339 HD11 LEU 45 1HD1 LEU 45 5.698 -5.334 -9.944
340 HD12 LEU 45 2HD1 LEU 45 4.854 -6.428 -11.040
341 HD13 LEU 45 3HD1 LEU 45 4.959 -6.811 -9.322
342 HD21 LEU 45 3HD2 LEU 45 1.499 -5.803 -9.725
343 HD22 LEU 45 1HD2 LEU 45 2.452 -6.391 -8.363
344 HD23 LEU 45 2HD2 LEU 45 2.602 -7.163 -9.942
345 H GLN 46 H GLN 46 1.500 -1.789 -7.091
346 HA GLN 46 HA GLN 46 3.770 -0.486 -5.767
347 HB2 GLN 46 1HB GLN 46 1.218 0.897 -6.610
348 HB3 GLN 46 2HB GLN 46 2.448 1.606 -5.574
349 HG2 GLN 46 1HG GLN 46 4.043 1.087 -7.554
350 HG3 GLN 46 2HG GLN 46 2.553 1.001 -8.491
351 HE21 GLN 46 2HE2 GLN 46 4.821 2.914 -8.521
352 HE22 GLN 46 1HE2 GLN 46 4.101 4.472 -8.325
353 H CYS 47 H CYS 47 2.893 0.658 -3.685
354 HA CYS 47 HA CYS 47 1.267 -1.346 -2.287
355 HB2 CYS 47 1HB CYS 47 3.623 -0.706 -1.503
356 HB3 CYS 47 2HB CYS 47 2.910 0.819 -0.987
357 H ILE 48 H ILE 48 -0.818 -0.843 -2.177
358 HA ILE 48 HA ILE 48 -1.606 1.973 -1.946
359 HB ILE 48 HB ILE 48 -3.360 -0.421 -2.505
360 HG12 ILE 48 1HG1 ILE 48 -3.345 0.967 -4.818
361 HG13 ILE 48 2HG1 ILE 48 -1.713 1.313 -4.258
362 HG21 ILE 48 1HG2 ILE 48 -3.836 2.526 -2.365
363 HG22 ILE 48 2HG2 ILE 48 -4.825 1.518 -3.421
364 HG23 ILE 48 3HG2 ILE 48 -4.786 1.204 -1.686
365 HD11 ILE 48 3HD1 ILE 48 -2.233 -1.472 -3.949
366 HD12 ILE 48 1HD1 ILE 48 -2.649 -0.977 -5.590
367 HD13 ILE 48 2HD1 ILE 48 -1.032 -0.668 -4.957
368 H CYS 49 H CYS 49 -2.390 2.783 -0.111
369 HA CYS 49 HA CYS 49 -2.902 0.930 2.109
370 HB2 CYS 49 1HB CYS 49 -2.537 3.914 2.336
371 HB3 CYS 49 2HB CYS 49 -2.378 2.700 3.600
372 H ASP 50 H ASP 50 -4.868 0.738 2.993
373 HA ASP 50 HA ASP 50 -6.973 2.574 2.051
374 HB2 ASP 50 1HB ASP 50 -7.135 0.171 1.296
375 HB3 ASP 50 2HB ASP 50 -7.367 -0.272 2.985
376 H TYR 51 H TYR 51 -7.903 3.806 3.539
377 HA TYR 51 HA TYR 51 -7.834 2.920 6.347
378 HB2 TYR 51 1HB TYR 51 -6.205 4.754 5.885
379 HB3 TYR 51 2HB TYR 51 -7.551 5.774 5.389
380 HD1 TYR 51 HD2 TYR 51 -7.153 3.439 8.277
381 HD2 TYR 51 HD1 TYR 51 -7.799 7.439 6.977
382 HE1 TYR 51 HE2 TYR 51 -7.477 4.140 10.612
383 HE2 TYR 51 HE1 TYR 51 -8.123 8.151 9.309
384 HH TYR 51 HH TYR 51 -8.609 7.325 11.436
385 H CYS 52 H CYS 52 -9.837 2.484 6.971
386 HA CYS 52 HA CYS 52 -11.999 4.286 6.097
387 HB2 CYS 52 1HB CYS 52 -11.885 1.769 5.263
388 HB3 CYS 52 2HB CYS 52 -12.604 1.459 6.840
389 H GLU 53 H GLU 53 -13.472 4.944 7.619
390 HA GLU 53 HA GLU 53 -13.042 4.007 10.376
391 HB2 GLU 53 1HB GLU 53 -13.386 6.303 11.178
392 HB3 GLU 53 2HB GLU 53 -11.981 6.188 10.126
393 HG2 GLU 53 1HG GLU 53 -12.886 8.039 9.223
394 HG3 GLU 53 2HG GLU 53 -13.814 6.854 8.304
395 H TYR 54 H TYR 54 -14.829 3.273 11.306
396 HA TYR 54 HA TYR 54 -17.333 3.289 10.004
397 HB2 TYR 54 1HB TYR 54 -16.803 2.709 12.923
398 HB3 TYR 54 2HB TYR 54 -18.181 2.169 11.971
399 HD1 TYR 54 HD2 TYR 54 -17.538 0.748 9.829
400 HD2 TYR 54 HD1 TYR 54 -15.052 1.238 13.247
401 HE1 TYR 54 HE2 TYR 54 -16.328 -1.309 9.237
402 HE2 TYR 54 HE1 TYR 54 -13.834 -0.817 12.664
403 HH TYR 54 HH TYR 54 -13.896 -2.689 11.369
Start of MODEL 16
1 H1 ASP 2 H ASP 2 -18.693 5.901 4.475
2 HA ASP 2 HA ASP 2 -17.109 4.175 3.223
3 HB2 ASP 2 1HB ASP 2 -17.405 7.127 2.809
4 HB3 ASP 2 2HB ASP 2 -16.274 6.222 1.807
5 H CYS 3 H CYS 3 -14.869 4.182 2.469
6 HA CYS 3 HA CYS 3 -13.036 5.202 4.540
7 HB2 CYS 3 1HB CYS 3 -12.525 2.802 2.783
8 HB3 CYS 3 2HB CYS 3 -11.658 3.282 4.238
9 H LYS 4 H LYS 4 -10.690 5.274 3.635
10 HA LYS 4 HA LYS 4 -10.764 6.528 0.968
11 HB2 LYS 4 1HB LYS 4 -9.235 8.196 1.678
12 HB3 LYS 4 2HB LYS 4 -10.471 8.110 2.926
13 HG2 LYS 4 1HG LYS 4 -8.843 7.893 4.411
14 HG3 LYS 4 2HG LYS 4 -8.509 6.300 3.727
15 HD2 LYS 4 1HD LYS 4 -6.451 7.201 3.428
16 HD3 LYS 4 2HD LYS 4 -7.196 7.823 1.954
17 HE2 LYS 4 1HE LYS 4 -7.609 9.941 2.974
18 HE3 LYS 4 2HE LYS 4 -7.139 9.333 4.561
19 HZ1 LYS 4 3HZ LYS 4 -5.470 10.717 3.191
20 HZ2 LYS 4 1HZ LYS 4 -5.211 9.279 2.336
21 HZ3 LYS 4 2HZ LYS 4 -4.919 9.338 4.001
22 H ARG 5 H ARG 5 -8.870 6.335 -0.320
23 HA ARG 5 HA ARG 5 -6.810 4.479 0.572
24 HB2 ARG 5 1HB ARG 5 -7.059 3.130 -1.529
25 HB3 ARG 5 2HB ARG 5 -8.376 2.942 -0.378
26 HG2 ARG 5 1HG ARG 5 -9.497 3.124 -2.377
27 HG3 ARG 5 2HG ARG 5 -9.535 4.784 -1.783
28 HD2 ARG 5 1HD ARG 5 -8.317 5.528 -3.500
29 HD3 ARG 5 2HD ARG 5 -7.150 4.215 -3.341
30 HE ARG 5 HE ARG 5 -9.613 3.365 -4.521
31 HH11 ARG 5 1HH1 ARG 5 -6.556 4.904 -5.158
32 HH12 ARG 5 2HH1 ARG 5 -6.534 4.461 -6.834
33 HH21 ARG 5 1HH2 ARG 5 -9.596 2.775 -6.725
34 HH22 ARG 5 2HH2 ARG 5 -8.264 3.251 -7.723
35 H LYS 6 H LYS 6 -4.870 4.660 -0.549
36 HA LYS 6 HA LYS 6 -4.662 6.347 -2.879
37 HB2 LYS 6 1HB LYS 6 -4.706 8.080 -1.215
38 HB3 LYS 6 2HB LYS 6 -3.537 7.224 -0.218
39 HG2 LYS 6 1HG LYS 6 -1.769 7.714 -1.662
40 HG3 LYS 6 2HG LYS 6 -2.853 8.148 -2.985
41 HD2 LYS 6 1HD LYS 6 -2.874 9.700 -0.422
42 HD3 LYS 6 2HD LYS 6 -1.664 10.031 -1.663
43 HE2 LYS 6 1HE LYS 6 -3.207 10.854 -3.139
44 HE3 LYS 6 2HE LYS 6 -4.516 9.868 -2.490
45 HZ1 LYS 6 3HZ LYS 6 -4.002 12.531 -1.955
46 HZ2 LYS 6 1HZ LYS 6 -3.605 11.700 -0.535
47 HZ3 LYS 6 2HZ LYS 6 -5.150 11.539 -1.206
48 H VAL 7 H VAL 7 -2.765 6.036 -4.007
49 HA VAL 7 HA VAL 7 -1.070 3.858 -3.009
50 HB VAL 7 HB VAL 7 -2.083 3.430 -5.171
51 HG11 VAL 7 1HG1 VAL 7 -0.696 5.242 -6.857
52 HG12 VAL 7 2HG1 VAL 7 -2.437 5.060 -6.635
53 HG13 VAL 7 3HG1 VAL 7 -1.529 6.178 -5.617
54 HG21 VAL 7 3HG2 VAL 7 0.831 4.041 -5.617
55 HG22 VAL 7 1HG2 VAL 7 0.260 2.675 -4.660
56 HG23 VAL 7 2HG2 VAL 7 -0.139 2.778 -6.375
57 H TYR 8 H TYR 8 1.114 4.057 -2.794
58 HA TYR 8 HA TYR 8 2.264 6.717 -3.329
59 HB2 TYR 8 1HB TYR 8 1.846 5.787 -0.844
60 HB3 TYR 8 2HB TYR 8 3.426 5.073 -1.147
61 HD1 TYR 8 HD1 TYR 8 1.867 8.385 -1.933
62 HD2 TYR 8 HD2 TYR 8 5.106 6.284 -0.144
63 HE1 TYR 8 HE1 TYR 8 2.937 10.527 -1.368
64 HE2 TYR 8 HE2 TYR 8 6.184 8.419 0.427
65 HH TYR 8 HH TYR 8 6.046 10.885 -0.610
66 H GLU 9 H GLU 9 3.143 6.084 -5.306
67 HA GLU 9 HA GLU 9 4.608 3.756 -5.790
68 HB2 GLU 9 1HB GLU 9 5.340 4.776 -7.795
69 HB3 GLU 9 2HB GLU 9 3.735 5.425 -7.491
70 HG2 GLU 9 1HG GLU 9 4.966 7.379 -6.366
71 HG3 GLU 9 2HG GLU 9 6.390 6.772 -7.208
72 H ASN 10 H ASN 10 5.442 6.599 -4.052
73 HA ASN 10 HA ASN 10 8.213 6.663 -4.323
74 HB2 ASN 10 1HB ASN 10 6.234 7.701 -2.428
75 HB3 ASN 10 2HB ASN 10 7.803 7.382 -1.693
76 HD21 ASN 10 2HD2 ASN 10 9.690 8.310 -2.812
77 HD22 ASN 10 1HD2 ASN 10 9.513 9.860 -3.556
78 H TYR 11 H TYR 11 6.182 4.427 -2.652
79 HA TYR 11 HA TYR 11 8.149 3.405 -0.860
80 HB2 TYR 11 1HB TYR 11 5.430 2.557 -1.754
81 HB3 TYR 11 2HB TYR 11 6.453 1.372 -0.951
82 HD1 TYR 11 HD1 TYR 11 7.790 2.787 1.137
83 HD2 TYR 11 HD2 TYR 11 3.817 3.315 -0.290
84 HE1 TYR 11 HE1 TYR 11 7.131 3.695 3.325
85 HE2 TYR 11 HE2 TYR 11 3.146 4.225 1.893
86 HH TYR 11 HH TYR 11 5.076 5.414 4.060
87 HA PRO 12 HA PRO 12 10.463 0.715 -3.444
88 HB2 PRO 12 1HB PRO 12 11.026 -1.305 -1.721
89 HB3 PRO 12 2HB PRO 12 11.782 0.290 -1.612
90 HG2 PRO 12 1HG PRO 12 9.484 -0.827 -0.053
91 HG3 PRO 12 2HG PRO 12 10.862 0.131 0.518
92 HD2 PRO 12 1HD PRO 12 8.419 1.212 0.074
93 HD3 PRO 12 2HD PRO 12 9.925 2.120 -0.173
94 H VAL 13 H VAL 13 9.601 -0.426 -5.056
95 HA VAL 13 HA VAL 13 7.258 -2.003 -4.805
96 HB VAL 13 HB VAL 13 9.266 -2.102 -7.056
97 HG11 VAL 13 1HG1 VAL 13 7.810 -3.848 -7.445
98 HG12 VAL 13 2HG1 VAL 13 6.442 -3.011 -6.709
99 HG13 VAL 13 3HG1 VAL 13 7.019 -2.527 -8.305
100 HG21 VAL 13 3HG2 VAL 13 7.701 -0.419 -8.120
101 HG22 VAL 13 1HG2 VAL 13 7.022 -0.174 -6.511
102 HG23 VAL 13 2HG2 VAL 13 8.722 0.186 -6.816
103 H SER 14 H SER 14 10.530 -2.646 -4.156
104 HA SER 14 HA SER 14 10.578 -5.428 -4.754
105 HB2 SER 14 1HB SER 14 12.372 -3.464 -3.589
106 HB3 SER 14 2HB SER 14 12.441 -4.997 -2.718
107 HG SER 14 HG SER 14 13.326 -4.369 -5.230
108 H LYS 15 H LYS 15 9.526 -3.536 -2.028
109 HA LYS 15 HA LYS 15 9.329 -5.818 -0.260
110 HB2 LYS 15 1HB LYS 15 8.786 -2.891 -0.041
111 HB3 LYS 15 2HB LYS 15 8.000 -3.974 1.100
112 HG2 LYS 15 1HG LYS 15 10.067 -3.078 2.010
113 HG3 LYS 15 2HG LYS 15 10.167 -4.828 1.806
114 HD2 LYS 15 1HD LYS 15 11.573 -4.642 -0.062
115 HD3 LYS 15 2HD LYS 15 11.176 -2.939 -0.300
116 HE2 LYS 15 1HE LYS 15 13.330 -2.931 0.629
117 HE3 LYS 15 2HE LYS 15 12.258 -2.541 1.973
118 HZ1 LYS 15 3HZ LYS 15 12.402 -4.799 2.741
119 HZ2 LYS 15 1HZ LYS 15 13.968 -4.187 2.551
120 HZ3 LYS 15 2HZ LYS 15 13.331 -5.251 1.401
121 H CYS 16 H CYS 16 7.468 -4.506 -2.732
122 HA CYS 16 HA CYS 16 4.851 -4.695 -1.902
123 HB2 CYS 16 1HB CYS 16 5.310 -3.866 -4.089
124 HB3 CYS 16 2HB CYS 16 6.107 -5.363 -4.562
125 H GLN 17 H GLN 17 7.022 -7.289 -2.913
126 HA GLN 17 HA GLN 17 5.218 -9.389 -3.065
127 HB2 GLN 17 1HB GLN 17 7.108 -10.865 -2.692
128 HB3 GLN 17 2HB GLN 17 7.588 -9.536 -3.738
129 HG2 GLN 17 1HG GLN 17 8.230 -8.548 -1.292
130 HG3 GLN 17 2HG GLN 17 8.524 -10.271 -1.063
131 HE21 GLN 17 2HE2 GLN 17 10.739 -10.004 -0.913
132 HE22 GLN 17 1HE2 GLN 17 11.723 -9.615 -2.278
133 H LEU 18 H LEU 18 6.704 -7.899 -0.257
134 HA LEU 18 HA LEU 18 5.839 -9.887 1.602
135 HB2 LEU 18 1HB LEU 18 7.042 -7.170 1.779
136 HB3 LEU 18 2HB LEU 18 6.268 -7.841 3.213
137 HG LEU 18 HG LEU 18 8.784 -8.132 3.004
138 HD11 LEU 18 1HD1 LEU 18 7.935 -9.416 4.682
139 HD12 LEU 18 2HD1 LEU 18 8.485 -10.693 3.597
140 HD13 LEU 18 3HD1 LEU 18 6.782 -10.234 3.628
141 HD21 LEU 18 3HD2 LEU 18 8.847 -8.741 0.642
142 HD22 LEU 18 1HD2 LEU 18 7.916 -10.200 0.986
143 HD23 LEU 18 2HD2 LEU 18 9.542 -10.017 1.644
144 H ALA 19 H ALA 19 3.992 -10.033 2.743
145 HA ALA 19 HA ALA 19 1.837 -8.196 2.050
146 HB1 ALA 19 3HB ALA 19 0.656 -10.034 3.635
147 HB2 ALA 19 1HB ALA 19 0.868 -10.221 1.894
148 HB3 ALA 19 2HB ALA 19 2.012 -10.972 3.009
149 H ASN 20 H ASN 20 3.839 -9.094 4.755
150 HA ASN 20 HA ASN 20 2.209 -7.592 6.641
151 HB2 ASN 20 1HB ASN 20 4.525 -9.456 6.843
152 HB3 ASN 20 2HB ASN 20 4.319 -8.266 8.126
153 HD21 ASN 20 2HD2 ASN 20 3.977 -11.267 7.905
154 HD22 ASN 20 1HD2 ASN 20 2.422 -11.560 8.600
155 H GLN 21 H GLN 21 4.811 -7.058 4.532
156 HA GLN 21 HA GLN 21 6.064 -4.957 6.054
157 HB2 GLN 21 1HB GLN 21 7.262 -6.415 4.385
158 HB3 GLN 21 2HB GLN 21 6.393 -5.565 3.115
159 HG2 GLN 21 1HG GLN 21 8.356 -4.405 3.139
160 HG3 GLN 21 2HG GLN 21 7.394 -3.441 4.258
161 HE21 GLN 21 2HE2 GLN 21 8.394 -2.895 6.047
162 HE22 GLN 21 1HE2 GLN 21 9.670 -3.768 6.814
163 H CYS 22 H CYS 22 3.890 -5.165 3.266
164 HA CYS 22 HA CYS 22 3.768 -2.404 2.725
165 HB2 CYS 22 1HB CYS 22 2.486 -4.804 1.788
166 HB3 CYS 22 2HB CYS 22 1.281 -3.542 2.022
167 H ASN 23 H ASN 23 1.276 -4.436 4.277
168 HA ASN 23 HA ASN 23 -0.369 -2.403 5.165
169 HB2 ASN 23 1HB ASN 23 -1.463 -4.002 6.431
170 HB3 ASN 23 2HB ASN 23 -0.609 -5.019 5.275
171 HD21 ASN 23 2HD2 ASN 23 -1.419 -4.820 8.380
172 HD22 ASN 23 1HD2 ASN 23 -0.094 -5.653 9.112
173 H TYR 24 H TYR 24 2.636 -3.559 6.510
174 HA TYR 24 HA TYR 24 2.385 -2.338 9.059
175 HB2 TYR 24 1HB TYR 24 3.975 -4.100 8.827
176 HB3 TYR 24 2HB TYR 24 4.772 -3.296 7.481
177 HD1 TYR 24 HD1 TYR 24 4.121 -3.015 11.128
178 HD2 TYR 24 HD2 TYR 24 6.577 -1.846 7.856
179 HE1 TYR 24 HE1 TYR 24 5.706 -1.976 12.696
180 HE2 TYR 24 HE2 TYR 24 8.169 -0.804 9.416
181 HH TYR 24 HH TYR 24 8.806 -0.783 11.655
182 H ASP 25 H ASP 25 4.102 -1.364 6.098
183 HA ASP 25 HA ASP 25 4.998 1.120 7.115
184 HB2 ASP 25 1HB ASP 25 4.639 0.097 4.297
185 HB3 ASP 25 2HB ASP 25 5.329 1.676 4.665
186 H CYS 26 H CYS 26 2.027 0.077 5.630
187 HA CYS 26 HA CYS 26 1.070 2.730 5.073
188 HB2 CYS 26 1HB CYS 26 -0.178 -0.009 5.007
189 HB3 CYS 26 2HB CYS 26 -1.148 1.444 4.778
190 H LYS 27 H LYS 27 0.152 0.203 7.413
191 HA LYS 27 HA LYS 27 -1.635 1.855 8.862
192 HB2 LYS 27 1HB LYS 27 -0.188 -0.649 9.748
193 HB3 LYS 27 2HB LYS 27 -1.560 0.082 10.572
194 HG2 LYS 27 1HG LYS 27 -3.059 -0.600 8.975
195 HG3 LYS 27 2HG LYS 27 -1.834 -0.690 7.707
196 HD2 LYS 27 1HD LYS 27 -2.260 -2.924 8.147
197 HD3 LYS 27 2HD LYS 27 -0.846 -2.607 9.154
198 HE2 LYS 27 1HE LYS 27 -2.702 -1.997 10.936
199 HE3 LYS 27 2HE LYS 27 -3.680 -3.070 9.935
200 HZ1 LYS 27 3HZ LYS 27 -2.140 -4.837 10.284
201 HZ2 LYS 27 1HZ LYS 27 -2.527 -4.192 11.800
202 HZ3 LYS 27 2HZ LYS 27 -1.044 -3.820 11.076
203 H LEU 28 H LEU 28 1.717 1.848 8.686
204 HA LEU 28 HA LEU 28 2.260 2.639 11.398
205 HB2 LEU 28 1HB LEU 28 4.017 1.524 10.302
206 HB3 LEU 28 2HB LEU 28 3.886 2.551 8.877
207 HG LEU 28 HG LEU 28 4.844 4.417 10.099
208 HD11 LEU 28 1HD1 LEU 28 4.385 4.404 12.299
209 HD12 LEU 28 2HD1 LEU 28 5.901 3.510 12.413
210 HD13 LEU 28 3HD1 LEU 28 4.365 2.643 12.396
211 HD21 LEU 28 3HD2 LEU 28 6.999 3.718 9.909
212 HD22 LEU 28 1HD2 LEU 28 6.206 2.359 9.109
213 HD23 LEU 28 2HD2 LEU 28 6.711 2.218 10.793
214 H ASP 29 H ASP 29 2.655 4.346 8.288
215 HA ASP 29 HA ASP 29 2.448 6.894 9.700
216 HB2 ASP 29 1HB ASP 29 3.592 5.992 7.126
217 HB3 ASP 29 2HB ASP 29 2.859 7.594 7.113
218 H LYS 30 H LYS 30 1.001 5.291 6.867
219 HA LYS 30 HA LYS 30 -1.040 7.248 6.540
220 HB2 LYS 30 1HB LYS 30 -1.169 4.414 5.527
221 HB3 LYS 30 2HB LYS 30 -1.900 5.852 4.829
222 HG2 LYS 30 1HG LYS 30 1.027 5.162 4.902
223 HG3 LYS 30 2HG LYS 30 -0.029 5.196 3.489
224 HD2 LYS 30 1HD LYS 30 0.707 7.572 5.200
225 HD3 LYS 30 2HD LYS 30 1.381 7.196 3.611
226 HE2 LYS 30 1HE LYS 30 -0.889 7.366 2.651
227 HE3 LYS 30 2HE LYS 30 -1.502 7.827 4.238
228 HZ1 LYS 30 3HZ LYS 30 -0.698 9.569 2.380
229 HZ2 LYS 30 1HZ LYS 30 0.729 9.399 3.272
230 HZ3 LYS 30 2HZ LYS 30 -0.693 9.895 4.040
231 H HIS 31 H HIS 31 -0.606 4.842 8.819
232 HA HIS 31 HA HIS 31 -1.950 3.803 10.342
233 HB2 HIS 31 1HB HIS 31 -2.348 6.391 10.627
234 HB3 HIS 31 2HB HIS 31 -3.959 6.000 10.033
235 HD1 HIS 31 HD1 HIS 31 -4.930 6.656 12.367
236 HD2 HIS 31 HD2 HIS 31 -2.328 3.416 12.415
237 HE1 HIS 31 HE1 HIS 31 -5.257 5.563 14.609
238 H ALA 32 H ALA 32 -2.415 3.213 7.497
239 HA ALA 32 HA ALA 32 -5.143 2.980 6.898
240 HB1 ALA 32 3HB ALA 32 -4.392 2.115 4.989
241 HB2 ALA 32 1HB ALA 32 -2.766 2.357 5.628
242 HB3 ALA 32 2HB ALA 32 -3.567 0.799 5.822
243 H ARG 33 H ARG 33 -5.574 0.304 6.292
244 HA ARG 33 HA ARG 33 -5.522 -1.041 8.905
245 HB2 ARG 33 1HB ARG 33 -7.927 -1.004 7.079
246 HB3 ARG 33 2HB ARG 33 -7.823 -1.710 8.686
247 HG2 ARG 33 1HG ARG 33 -7.235 0.749 9.384
248 HG3 ARG 33 2HG ARG 33 -8.062 1.141 7.875
249 HD2 ARG 33 1HD ARG 33 -10.054 0.011 8.615
250 HD3 ARG 33 2HD ARG 33 -9.232 -0.575 10.060
251 HE ARG 33 HE ARG 33 -10.405 2.004 9.675
252 HH11 ARG 33 1HH1 ARG 33 -7.900 0.261 11.351
253 HH12 ARG 33 2HH1 ARG 33 -7.813 1.388 12.663
254 HH21 ARG 33 1HH2 ARG 33 -10.300 3.495 11.398
255 HH22 ARG 33 2HH2 ARG 33 -9.180 3.226 12.690
256 H SER 34 H SER 34 -5.942 -1.333 5.411
257 HA SER 34 HA SER 34 -4.894 -4.078 5.595
258 HB2 SER 34 1HB SER 34 -7.371 -3.953 5.047
259 HB3 SER 34 2HB SER 34 -6.908 -3.182 3.529
260 HG SER 34 HG SER 34 -6.003 -5.025 2.846
261 H GLY 35 H GLY 35 -3.319 -1.782 5.228
262 HA2 GLY 35 1HA GLY 35 -2.763 -0.951 2.669
263 HA3 GLY 35 2HA GLY 35 -1.540 -1.143 3.917
264 H GLU 36 H GLU 36 -2.337 -2.011 0.860
265 HA GLU 36 HA GLU 36 -0.396 -4.164 0.863
266 HB2 GLU 36 1HB GLU 36 -2.921 -4.982 1.186
267 HB3 GLU 36 2HB GLU 36 -2.921 -4.819 -0.565
268 HG2 GLU 36 1HG GLU 36 -2.389 -7.093 0.162
269 HG3 GLU 36 2HG GLU 36 -1.073 -6.357 -0.751
270 H CYS 37 H CYS 37 0.142 -4.863 -1.376
271 HA CYS 37 HA CYS 37 -0.044 -2.561 -3.189
272 HB2 CYS 37 1HB CYS 37 1.999 -3.252 -4.158
273 HB3 CYS 37 2HB CYS 37 2.216 -3.464 -2.424
274 H PHE 38 H PHE 38 -0.415 -2.894 -5.436
275 HA PHE 38 HA PHE 38 -1.147 -5.439 -6.485
276 HB2 PHE 38 1HB PHE 38 -3.243 -3.716 -5.329
277 HB3 PHE 38 2HB PHE 38 -3.580 -4.305 -6.954
278 HD1 PHE 38 HD1 PHE 38 -2.737 -6.948 -7.132
279 HD2 PHE 38 HD2 PHE 38 -4.270 -4.946 -3.704
280 HE1 PHE 38 HE1 PHE 38 -3.459 -9.106 -6.198
281 HE2 PHE 38 HE2 PHE 38 -4.994 -7.101 -2.764
282 HZ PHE 38 HZ PHE 38 -4.590 -9.185 -4.012
283 H TYR 39 H TYR 39 -1.763 -5.336 -8.735
284 HA TYR 39 HA TYR 39 -0.298 -3.470 -10.208
285 HB2 TYR 39 1HB TYR 39 -1.551 -4.371 -12.181
286 HB3 TYR 39 2HB TYR 39 -0.819 -5.610 -11.168
287 HD1 TYR 39 HD2 TYR 39 -4.012 -3.983 -12.067
288 HD2 TYR 39 HD1 TYR 39 -2.150 -7.246 -10.071
289 HE1 TYR 39 HE2 TYR 39 -6.197 -5.092 -11.855
290 HE2 TYR 39 HE1 TYR 39 -4.329 -8.366 -9.854
291 HH TYR 39 HH TYR 39 -7.117 -7.009 -10.015
292 H ASP 40 H ASP 40 -0.825 -1.631 -11.323
293 HA ASP 40 HA ASP 40 -3.407 -0.415 -10.619
294 HB2 ASP 40 1HB ASP 40 -2.227 1.743 -11.266
295 HB3 ASP 40 2HB ASP 40 -1.638 0.943 -9.812
296 H GLU 41 H GLU 41 -3.810 1.476 -12.403
297 HA GLU 41 HA GLU 41 -4.705 0.099 -14.696
298 HB2 GLU 41 1HB GLU 41 -5.498 2.209 -15.480
299 HB3 GLU 41 2HB GLU 41 -5.715 2.191 -13.735
300 HG2 GLU 41 1HG GLU 41 -3.617 3.489 -13.511
301 HG3 GLU 41 2HG GLU 41 -3.540 3.592 -15.268
302 H LYS 42 H LYS 42 -1.704 1.547 -13.913
303 HA LYS 42 HA LYS 42 -0.880 1.761 -16.707
304 HB2 LYS 42 1HB LYS 42 0.757 2.356 -14.241
305 HB3 LYS 42 2HB LYS 42 1.095 2.857 -15.892
306 HG2 LYS 42 1HG LYS 42 -1.103 4.140 -15.776
307 HG3 LYS 42 2HG LYS 42 -1.033 3.862 -14.035
308 HD2 LYS 42 1HD LYS 42 -0.014 5.937 -14.271
309 HD3 LYS 42 2HD LYS 42 1.360 4.829 -14.216
310 HE2 LYS 42 1HE LYS 42 1.446 4.848 -16.673
311 HE3 LYS 42 2HE LYS 42 0.101 5.988 -16.702
312 HZ1 LYS 42 3HZ LYS 42 2.389 6.749 -15.079
313 HZ2 LYS 42 1HZ LYS 42 1.415 7.693 -16.090
314 HZ3 LYS 42 2HZ LYS 42 2.643 6.736 -16.752
315 H ARG 43 H ARG 43 -1.398 -0.810 -15.179
316 HA ARG 43 HA ARG 43 -0.509 -2.897 -14.985
317 HB2 ARG 43 1HB ARG 43 1.024 -1.770 -17.315
318 HB3 ARG 43 2HB ARG 43 1.295 -3.412 -16.751
319 HG2 ARG 43 1HG ARG 43 -0.260 -3.826 -18.347
320 HG3 ARG 43 2HG ARG 43 -1.336 -3.539 -16.978
321 HD2 ARG 43 1HD ARG 43 -2.135 -2.319 -18.900
322 HD3 ARG 43 2HD ARG 43 -1.553 -1.185 -17.682
323 HE ARG 43 HE ARG 43 0.536 -1.747 -19.467
324 HH11 ARG 43 1HH1 ARG 43 -2.544 -0.124 -19.383
325 HH12 ARG 43 2HH1 ARG 43 -2.123 1.017 -20.617
326 HH21 ARG 43 1HH2 ARG 43 1.100 -0.250 -21.093
327 HH22 ARG 43 2HH2 ARG 43 -0.050 0.944 -21.589
328 H ASN 44 H ASN 44 0.662 -0.701 -13.389
329 HA ASN 44 HA ASN 44 3.372 -1.774 -12.978
330 HB2 ASN 44 1HB ASN 44 2.176 0.938 -12.606
331 HB3 ASN 44 2HB ASN 44 3.495 0.453 -11.546
332 HD21 ASN 44 2HD2 ASN 44 4.203 2.482 -12.868
333 HD22 ASN 44 1HD2 ASN 44 5.160 2.129 -14.263
334 H LEU 45 H LEU 45 4.112 -2.058 -10.791
335 HA LEU 45 HA LEU 45 1.925 -2.826 -8.990
336 HB2 LEU 45 1HB LEU 45 4.788 -3.598 -8.600
337 HB3 LEU 45 2HB LEU 45 3.330 -4.419 -8.045
338 HG LEU 45 HG LEU 45 4.400 -4.351 -10.866
339 HD11 LEU 45 1HD1 LEU 45 4.607 -6.227 -8.612
340 HD12 LEU 45 2HD1 LEU 45 5.664 -5.998 -10.005
341 HD13 LEU 45 3HD1 LEU 45 4.188 -6.950 -10.166
342 HD21 LEU 45 3HD2 LEU 45 2.475 -6.204 -10.937
343 HD22 LEU 45 1HD2 LEU 45 2.194 -4.513 -11.351
344 HD23 LEU 45 2HD2 LEU 45 1.769 -5.110 -9.747
345 H GLN 46 H GLN 46 1.506 -1.586 -7.296
346 HA GLN 46 HA GLN 46 3.696 -0.163 -5.976
347 HB2 GLN 46 1HB GLN 46 1.085 1.220 -6.562
348 HB3 GLN 46 2HB GLN 46 2.577 1.928 -5.960
349 HG2 GLN 46 1HG GLN 46 3.652 1.598 -8.084
350 HG3 GLN 46 2HG GLN 46 2.243 0.734 -8.701
351 HE21 GLN 46 2HE2 GLN 46 0.156 2.054 -8.482
352 HE22 GLN 46 1HE2 GLN 46 0.256 3.702 -8.990
353 H CYS 47 H CYS 47 3.132 0.595 -3.809
354 HA CYS 47 HA CYS 47 1.330 -1.297 -2.510
355 HB2 CYS 47 1HB CYS 47 3.714 -0.894 -1.728
356 HB3 CYS 47 2HB CYS 47 3.170 0.685 -1.169
357 H ILE 48 H ILE 48 -0.719 -0.677 -2.322
358 HA ILE 48 HA ILE 48 -1.327 2.162 -1.896
359 HB ILE 48 HB ILE 48 -3.230 -0.078 -2.586
360 HG12 ILE 48 1HG1 ILE 48 -3.133 1.557 -4.774
361 HG13 ILE 48 2HG1 ILE 48 -1.459 1.605 -4.231
362 HG21 ILE 48 1HG2 ILE 48 -4.325 1.758 -1.456
363 HG22 ILE 48 2HG2 ILE 48 -3.579 2.915 -2.557
364 HG23 ILE 48 3HG2 ILE 48 -4.766 1.761 -3.163
365 HD11 ILE 48 3HD1 ILE 48 -2.307 -1.092 -4.163
366 HD12 ILE 48 1HD1 ILE 48 -2.788 -0.407 -5.716
367 HD13 ILE 48 2HD1 ILE 48 -1.101 -0.341 -5.208
368 H CYS 49 H CYS 49 -2.628 2.859 -0.199
369 HA CYS 49 HA CYS 49 -2.991 0.911 1.984
370 HB2 CYS 49 1HB CYS 49 -2.576 3.871 2.380
371 HB3 CYS 49 2HB CYS 49 -2.463 2.586 3.579
372 H ASP 50 H ASP 50 -4.824 1.177 3.339
373 HA ASP 50 HA ASP 50 -6.936 2.926 2.277
374 HB2 ASP 50 1HB ASP 50 -6.943 0.240 1.812
375 HB3 ASP 50 2HB ASP 50 -7.851 0.324 3.319
376 H TYR 51 H TYR 51 -7.936 4.085 3.792
377 HA TYR 51 HA TYR 51 -7.669 3.228 6.600
378 HB2 TYR 51 1HB TYR 51 -6.284 5.232 5.974
379 HB3 TYR 51 2HB TYR 51 -7.782 6.088 5.629
380 HD1 TYR 51 HD2 TYR 51 -7.023 3.753 8.427
381 HD2 TYR 51 HD1 TYR 51 -7.872 7.755 7.261
382 HE1 TYR 51 HE2 TYR 51 -7.190 4.401 10.793
383 HE2 TYR 51 HE1 TYR 51 -8.041 8.415 9.624
384 HH TYR 51 HH TYR 51 -8.621 6.675 11.981
385 H CYS 52 H CYS 52 -9.536 2.790 7.545
386 HA CYS 52 HA CYS 52 -12.002 3.889 6.392
387 HB2 CYS 52 1HB CYS 52 -11.422 1.447 8.053
388 HB3 CYS 52 2HB CYS 52 -13.060 2.068 7.881
389 H GLU 53 H GLU 53 -13.373 5.144 7.547
390 HA GLU 53 HA GLU 53 -12.533 5.848 10.280
391 HB2 GLU 53 1HB GLU 53 -12.606 7.568 8.276
392 HB3 GLU 53 2HB GLU 53 -14.320 7.616 8.667
393 HG2 GLU 53 1HG GLU 53 -12.049 8.234 10.543
394 HG3 GLU 53 2HG GLU 53 -13.130 9.402 9.786
395 H TYR 54 H TYR 54 -13.740 4.575 11.578
396 HA TYR 54 HA TYR 54 -16.356 3.709 11.081
397 HB2 TYR 54 1HB TYR 54 -14.616 2.875 12.818
398 HB3 TYR 54 2HB TYR 54 -15.303 4.111 13.866
399 HD1 TYR 54 HD1 TYR 54 -16.429 1.305 11.666
400 HD2 TYR 54 HD2 TYR 54 -17.036 3.498 15.261
401 HE1 TYR 54 HE1 TYR 54 -18.231 -0.243 12.298
402 HE2 TYR 54 HE2 TYR 54 -18.841 1.956 15.904
403 HH TYR 54 HH TYR 54 -19.290 -0.815 15.028
Start of MODEL 17
1 H1 ASP 2 H ASP 2 -16.330 6.961 1.804
2 HA ASP 2 HA ASP 2 -16.800 7.484 4.666
3 HB2 ASP 2 1HB ASP 2 -17.092 4.874 3.162
4 HB3 ASP 2 2HB ASP 2 -17.293 5.073 4.902
5 H CYS 3 H CYS 3 -14.769 5.850 2.290
6 HA CYS 3 HA CYS 3 -12.646 5.693 4.328
7 HB2 CYS 3 1HB CYS 3 -12.846 3.786 2.007
8 HB3 CYS 3 2HB CYS 3 -11.907 3.618 3.486
9 H LYS 4 H LYS 4 -10.427 5.419 3.195
10 HA LYS 4 HA LYS 4 -10.291 7.085 0.780
11 HB2 LYS 4 1HB LYS 4 -8.233 7.459 2.914
12 HB3 LYS 4 2HB LYS 4 -8.766 8.580 1.667
13 HG2 LYS 4 1HG LYS 4 -11.031 8.391 3.083
14 HG3 LYS 4 2HG LYS 4 -9.855 8.079 4.362
15 HD2 LYS 4 1HD LYS 4 -8.801 10.160 4.043
16 HD3 LYS 4 2HD LYS 4 -9.591 10.413 2.484
17 HE2 LYS 4 1HE LYS 4 -11.655 10.886 3.482
18 HE3 LYS 4 2HE LYS 4 -11.174 10.178 5.023
19 HZ1 LYS 4 3HZ LYS 4 -9.517 12.021 5.194
20 HZ2 LYS 4 1HZ LYS 4 -11.133 12.516 5.275
21 HZ3 LYS 4 2HZ LYS 4 -10.251 12.739 3.849
22 H ARG 5 H ARG 5 -8.407 6.784 -0.500
23 HA ARG 5 HA ARG 5 -6.611 4.607 0.227
24 HB2 ARG 5 1HB ARG 5 -6.968 3.482 -1.962
25 HB3 ARG 5 2HB ARG 5 -8.375 3.419 -0.908
26 HG2 ARG 5 1HG ARG 5 -9.608 4.815 -2.236
27 HG3 ARG 5 2HG ARG 5 -8.184 5.621 -2.898
28 HD2 ARG 5 1HD ARG 5 -7.782 3.937 -4.430
29 HD3 ARG 5 2HD ARG 5 -8.665 2.734 -3.492
30 HE ARG 5 HE ARG 5 -10.568 3.337 -4.600
31 HH11 ARG 5 1HH1 ARG 5 -8.213 5.877 -4.950
32 HH12 ARG 5 2HH1 ARG 5 -9.172 6.790 -6.067
33 HH21 ARG 5 1HH2 ARG 5 -11.840 4.530 -6.069
34 HH22 ARG 5 2HH2 ARG 5 -11.235 6.023 -6.703
35 H LYS 6 H LYS 6 -4.597 4.815 -0.624
36 HA LYS 6 HA LYS 6 -4.096 6.560 -2.876
37 HB2 LYS 6 1HB LYS 6 -4.141 8.226 -1.153
38 HB3 LYS 6 2HB LYS 6 -3.141 7.241 -0.093
39 HG2 LYS 6 1HG LYS 6 -1.209 7.717 -1.247
40 HG3 LYS 6 2HG LYS 6 -2.069 8.095 -2.742
41 HD2 LYS 6 1HD LYS 6 -2.358 9.792 -0.281
42 HD3 LYS 6 2HD LYS 6 -1.041 10.041 -1.429
43 HE2 LYS 6 1HE LYS 6 -2.923 10.095 -3.204
44 HE3 LYS 6 2HE LYS 6 -3.991 10.374 -1.830
45 HZ1 LYS 6 3HZ LYS 6 -2.691 12.303 -3.177
46 HZ2 LYS 6 1HZ LYS 6 -1.647 12.053 -1.870
47 HZ3 LYS 6 2HZ LYS 6 -3.265 12.460 -1.594
48 H VAL 7 H VAL 7 -2.081 6.233 -3.823
49 HA VAL 7 HA VAL 7 -0.638 3.877 -2.817
50 HB VAL 7 HB VAL 7 -1.503 3.578 -5.057
51 HG11 VAL 7 1HG1 VAL 7 -0.784 5.000 -6.917
52 HG12 VAL 7 2HG1 VAL 7 -1.683 5.920 -5.708
53 HG13 VAL 7 3HG1 VAL 7 0.075 6.043 -5.785
54 HG21 VAL 7 3HG2 VAL 7 0.590 3.067 -6.245
55 HG22 VAL 7 1HG2 VAL 7 1.482 4.014 -5.055
56 HG23 VAL 7 2HG2 VAL 7 0.638 2.546 -4.561
57 H TYR 8 H TYR 8 1.495 3.957 -2.339
58 HA TYR 8 HA TYR 8 2.753 6.603 -2.381
59 HB2 TYR 8 1HB TYR 8 2.524 4.962 -0.302
60 HB3 TYR 8 2HB TYR 8 4.001 4.286 -0.978
61 HD1 TYR 8 HD1 TYR 8 2.715 7.776 -0.563
62 HD2 TYR 8 HD2 TYR 8 5.842 4.995 0.209
63 HE1 TYR 8 HE1 TYR 8 4.020 9.554 0.525
64 HE2 TYR 8 HE2 TYR 8 7.155 6.765 1.300
65 HH TYR 8 HH TYR 8 7.164 8.873 2.021
66 H GLU 9 H GLU 9 3.403 6.639 -4.553
67 HA GLU 9 HA GLU 9 4.760 4.642 -5.926
68 HB2 GLU 9 1HB GLU 9 5.562 6.406 -7.411
69 HB3 GLU 9 2HB GLU 9 3.870 6.655 -7.006
70 HG2 GLU 9 1HG GLU 9 4.578 8.305 -5.294
71 HG3 GLU 9 2HG GLU 9 6.235 8.119 -5.863
72 H ASN 10 H ASN 10 5.931 6.965 -3.588
73 HA ASN 10 HA ASN 10 8.679 6.774 -4.072
74 HB2 ASN 10 1HB ASN 10 7.791 8.492 -2.616
75 HB3 ASN 10 2HB ASN 10 7.189 7.279 -1.489
76 HD21 ASN 10 2HD2 ASN 10 8.371 8.212 0.192
77 HD22 ASN 10 1HD2 ASN 10 10.081 8.002 0.324
78 H TYR 11 H TYR 11 6.475 4.573 -2.565
79 HA TYR 11 HA TYR 11 8.372 3.063 -1.086
80 HB2 TYR 11 1HB TYR 11 5.660 3.120 -1.174
81 HB3 TYR 11 2HB TYR 11 5.978 1.657 -2.098
82 HD1 TYR 11 HD2 TYR 11 7.322 3.236 1.020
83 HD2 TYR 11 HD1 TYR 11 5.856 -0.282 -0.871
84 HE1 TYR 11 HE2 TYR 11 7.635 1.987 3.116
85 HE2 TYR 11 HE1 TYR 11 6.163 -1.541 1.220
86 HH TYR 11 HH TYR 11 7.862 -0.219 3.928
87 HA PRO 12 HA PRO 12 10.337 0.841 -4.351
88 HB2 PRO 12 1HB PRO 12 11.386 -1.173 -2.864
89 HB3 PRO 12 2HB PRO 12 12.040 0.468 -2.856
90 HG2 PRO 12 1HG PRO 12 10.204 -0.850 -0.892
91 HG3 PRO 12 2HG PRO 12 11.606 0.192 -0.588
92 HD2 PRO 12 1HD PRO 12 9.058 1.103 -0.466
93 HD3 PRO 12 2HD PRO 12 10.415 2.124 -0.987
94 H VAL 13 H VAL 13 9.754 -0.726 -5.749
95 HA VAL 13 HA VAL 13 7.343 -2.161 -5.368
96 HB VAL 13 HB VAL 13 9.463 -2.679 -7.456
97 HG11 VAL 13 1HG1 VAL 13 7.996 -4.463 -7.602
98 HG12 VAL 13 2HG1 VAL 13 6.601 -3.488 -7.135
99 HG13 VAL 13 3HG1 VAL 13 7.301 -3.314 -8.744
100 HG21 VAL 13 3HG2 VAL 13 8.982 -0.705 -8.353
101 HG22 VAL 13 1HG2 VAL 13 7.290 -1.184 -8.487
102 HG23 VAL 13 2HG2 VAL 13 7.862 -0.365 -7.033
103 H SER 14 H SER 14 10.547 -2.805 -4.437
104 HA SER 14 HA SER 14 10.524 -5.640 -4.571
105 HB2 SER 14 1HB SER 14 12.222 -3.579 -3.244
106 HB3 SER 14 2HB SER 14 12.335 -5.240 -2.661
107 HG SER 14 HG SER 14 13.327 -4.144 -4.928
108 H LYS 15 H LYS 15 9.550 -3.304 -2.133
109 HA LYS 15 HA LYS 15 9.175 -5.144 -0.015
110 HB2 LYS 15 1HB LYS 15 8.395 -2.334 -0.577
111 HB3 LYS 15 2HB LYS 15 7.459 -3.186 0.644
112 HG2 LYS 15 1HG LYS 15 9.343 -1.885 1.570
113 HG3 LYS 15 2HG LYS 15 9.430 -3.607 1.945
114 HD2 LYS 15 1HD LYS 15 11.281 -3.929 0.673
115 HD3 LYS 15 2HD LYS 15 10.800 -2.722 -0.522
116 HE2 LYS 15 1HE LYS 15 12.757 -1.935 0.629
117 HE3 LYS 15 2HE LYS 15 11.379 -0.948 1.114
118 HZ1 LYS 15 3HZ LYS 15 12.179 -3.281 2.727
119 HZ2 LYS 15 1HZ LYS 15 11.319 -1.905 3.200
120 HZ3 LYS 15 2HZ LYS 15 12.981 -1.804 2.908
121 H CYS 16 H CYS 16 7.251 -4.252 -2.760
122 HA CYS 16 HA CYS 16 4.695 -4.916 -1.955
123 HB2 CYS 16 1HB CYS 16 5.129 -3.944 -4.135
124 HB3 CYS 16 2HB CYS 16 6.016 -5.381 -4.635
125 H GLN 17 H GLN 17 7.382 -7.011 -2.728
126 HA GLN 17 HA GLN 17 6.056 -9.424 -3.122
127 HB2 GLN 17 1HB GLN 17 8.123 -10.500 -2.682
128 HB3 GLN 17 2HB GLN 17 8.526 -8.951 -3.412
129 HG2 GLN 17 1HG GLN 17 8.743 -8.125 -0.975
130 HG3 GLN 17 2HG GLN 17 8.844 -9.840 -0.579
131 HE21 GLN 17 2HE2 GLN 17 10.950 -8.441 0.103
132 HE22 GLN 17 1HE2 GLN 17 12.278 -8.691 -0.972
133 H LEU 18 H LEU 18 6.627 -7.625 -0.211
134 HA LEU 18 HA LEU 18 5.679 -9.866 1.431
135 HB2 LEU 18 1HB LEU 18 6.874 -7.226 2.264
136 HB3 LEU 18 2HB LEU 18 6.427 -8.543 3.346
137 HG LEU 18 HG LEU 18 8.507 -8.870 1.197
138 HD11 LEU 18 1HD1 LEU 18 10.095 -8.607 3.212
139 HD12 LEU 18 2HD1 LEU 18 8.763 -7.717 3.948
140 HD13 LEU 18 3HD1 LEU 18 9.466 -7.157 2.430
141 HD21 LEU 18 3HD2 LEU 18 8.389 -10.980 1.887
142 HD22 LEU 18 1HD2 LEU 18 7.304 -10.552 3.211
143 HD23 LEU 18 2HD2 LEU 18 9.051 -10.442 3.431
144 H ALA 19 H ALA 19 3.756 -9.828 2.456
145 HA ALA 19 HA ALA 19 1.933 -7.653 1.795
146 HB1 ALA 19 3HB ALA 19 1.652 -10.480 2.575
147 HB2 ALA 19 1HB ALA 19 0.397 -9.390 3.162
148 HB3 ALA 19 2HB ALA 19 0.717 -9.516 1.432
149 H ASN 20 H ASN 20 3.546 -9.063 4.560
150 HA ASN 20 HA ASN 20 2.013 -7.601 6.504
151 HB2 ASN 20 1HB ASN 20 3.570 -8.515 8.135
152 HB3 ASN 20 2HB ASN 20 3.063 -9.784 7.025
153 HD21 ASN 20 2HD2 ASN 20 4.558 -10.856 5.886
154 HD22 ASN 20 1HD2 ASN 20 6.249 -10.501 5.903
155 H GLN 21 H GLN 21 4.738 -6.964 4.527
156 HA GLN 21 HA GLN 21 5.877 -4.922 6.203
157 HB2 GLN 21 1HB GLN 21 7.296 -6.178 4.665
158 HB3 GLN 21 2HB GLN 21 6.357 -5.599 3.296
159 HG2 GLN 21 1HG GLN 21 7.862 -3.981 3.118
160 HG3 GLN 21 2HG GLN 21 7.126 -3.279 4.558
161 HE21 GLN 21 2HE2 GLN 21 9.033 -2.371 5.273
162 HE22 GLN 21 1HE2 GLN 21 10.334 -3.314 5.907
163 H CYS 22 H CYS 22 3.825 -5.020 3.323
164 HA CYS 22 HA CYS 22 3.729 -2.251 2.852
165 HB2 CYS 22 1HB CYS 22 2.372 -4.627 1.886
166 HB3 CYS 22 2HB CYS 22 1.260 -3.269 2.031
167 H ASN 23 H ASN 23 1.203 -4.300 4.326
168 HA ASN 23 HA ASN 23 -0.432 -2.249 5.227
169 HB2 ASN 23 1HB ASN 23 -1.608 -3.866 6.386
170 HB3 ASN 23 2HB ASN 23 -0.741 -4.863 5.223
171 HD21 ASN 23 2HD2 ASN 23 -1.662 -4.776 8.295
172 HD22 ASN 23 1HD2 ASN 23 -0.382 -5.664 9.042
173 H TYR 24 H TYR 24 2.498 -3.549 6.605
174 HA TYR 24 HA TYR 24 2.223 -2.462 9.202
175 HB2 TYR 24 1HB TYR 24 3.818 -4.204 8.892
176 HB3 TYR 24 2HB TYR 24 4.630 -3.327 7.600
177 HD1 TYR 24 HD1 TYR 24 3.702 -2.732 11.179
178 HD2 TYR 24 HD2 TYR 24 6.669 -2.414 8.146
179 HE1 TYR 24 HE1 TYR 24 5.269 -1.781 12.819
180 HE2 TYR 24 HE2 TYR 24 8.244 -1.465 9.778
181 HH TYR 24 HH TYR 24 8.615 -1.027 11.940
182 H ASP 25 H ASP 25 3.981 -1.307 6.332
183 HA ASP 25 HA ASP 25 4.819 1.127 7.534
184 HB2 ASP 25 1HB ASP 25 5.001 -0.143 4.903
185 HB3 ASP 25 2HB ASP 25 4.841 1.609 4.819
186 H CYS 26 H CYS 26 1.973 0.135 5.776
187 HA CYS 26 HA CYS 26 1.005 2.775 5.257
188 HB2 CYS 26 1HB CYS 26 -0.250 0.039 5.153
189 HB3 CYS 26 2HB CYS 26 -1.191 1.498 4.863
190 H LYS 27 H LYS 27 0.044 0.241 7.571
191 HA LYS 27 HA LYS 27 -1.817 1.866 8.956
192 HB2 LYS 27 1HB LYS 27 -0.356 -0.611 9.892
193 HB3 LYS 27 2HB LYS 27 -1.762 0.101 10.674
194 HG2 LYS 27 1HG LYS 27 -3.206 -0.617 9.047
195 HG3 LYS 27 2HG LYS 27 -1.952 -0.672 7.806
196 HD2 LYS 27 1HD LYS 27 -2.414 -2.921 8.261
197 HD3 LYS 27 2HD LYS 27 -0.944 -2.588 9.179
198 HE2 LYS 27 1HE LYS 27 -2.500 -3.858 10.532
199 HE3 LYS 27 2HE LYS 27 -2.307 -2.236 11.195
200 HZ1 LYS 27 3HZ LYS 27 -4.540 -2.981 9.394
201 HZ2 LYS 27 1HZ LYS 27 -4.395 -1.590 10.346
202 HZ3 LYS 27 2HZ LYS 27 -4.643 -3.093 11.080
203 H LEU 28 H LEU 28 1.544 1.900 8.894
204 HA LEU 28 HA LEU 28 1.980 2.720 11.617
205 HB2 LEU 28 1HB LEU 28 3.732 1.562 10.427
206 HB3 LEU 28 2HB LEU 28 3.750 2.805 9.178
207 HG LEU 28 HG LEU 28 5.611 2.762 10.988
208 HD11 LEU 28 1HD1 LEU 28 4.454 5.474 10.785
209 HD12 LEU 28 2HD1 LEU 28 4.760 4.626 9.269
210 HD13 LEU 28 3HD1 LEU 28 6.079 4.897 10.409
211 HD21 LEU 28 3HD2 LEU 28 3.685 4.469 12.509
212 HD22 LEU 28 1HD2 LEU 28 5.185 3.713 13.049
213 HD23 LEU 28 2HD2 LEU 28 3.743 2.728 12.794
214 H ASP 29 H ASP 29 2.460 4.403 8.505
215 HA ASP 29 HA ASP 29 2.180 6.963 9.887
216 HB2 ASP 29 1HB ASP 29 3.323 6.082 7.277
217 HB3 ASP 29 2HB ASP 29 2.712 7.730 7.395
218 H LYS 30 H LYS 30 0.844 5.315 7.025
219 HA LYS 30 HA LYS 30 -1.205 7.247 6.610
220 HB2 LYS 30 1HB LYS 30 -1.307 4.406 5.628
221 HB3 LYS 30 2HB LYS 30 -1.977 5.847 4.875
222 HG2 LYS 30 1HG LYS 30 0.929 5.100 5.096
223 HG3 LYS 30 2HG LYS 30 -0.059 5.141 3.633
224 HD2 LYS 30 1HD LYS 30 0.646 7.520 5.353
225 HD3 LYS 30 2HD LYS 30 1.387 7.113 3.803
226 HE2 LYS 30 1HE LYS 30 -1.531 7.741 4.244
227 HE3 LYS 30 2HE LYS 30 -0.334 8.853 3.582
228 HZ1 LYS 30 3HZ LYS 30 -1.060 6.249 2.357
229 HZ2 LYS 30 1HZ LYS 30 -0.035 7.424 1.701
230 HZ3 LYS 30 2HZ LYS 30 -1.687 7.742 1.871
231 H HIS 31 H HIS 31 -0.822 4.868 8.928
232 HA HIS 31 HA HIS 31 -2.204 3.838 10.422
233 HB2 HIS 31 1HB HIS 31 -3.706 6.396 9.867
234 HB3 HIS 31 2HB HIS 31 -4.208 5.250 11.105
235 HD1 HIS 31 HD1 HIS 31 -2.427 8.261 10.834
236 HD2 HIS 31 HD2 HIS 31 -1.756 4.714 12.891
237 HE1 HIS 31 HE1 HIS 31 -0.812 8.845 12.671
238 H ALA 32 H ALA 32 -2.571 3.213 7.565
239 HA ALA 32 HA ALA 32 -5.273 2.938 6.882
240 HB1 ALA 32 3HB ALA 32 -3.298 0.885 6.012
241 HB2 ALA 32 1HB ALA 32 -4.562 1.697 5.089
242 HB3 ALA 32 2HB ALA 32 -3.078 2.558 5.500
243 H ARG 33 H ARG 33 -5.692 0.270 6.305
244 HA ARG 33 HA ARG 33 -5.696 -1.051 8.931
245 HB2 ARG 33 1HB ARG 33 -7.998 -1.813 8.534
246 HB3 ARG 33 2HB ARG 33 -7.898 -0.058 8.605
247 HG2 ARG 33 1HG ARG 33 -7.625 -0.433 5.955
248 HG3 ARG 33 2HG ARG 33 -8.627 -1.827 6.370
249 HD2 ARG 33 1HD ARG 33 -9.908 0.087 7.754
250 HD3 ARG 33 2HD ARG 33 -9.257 1.059 6.434
251 HE ARG 33 HE ARG 33 -10.814 0.122 5.063
252 HH11 ARG 33 1HH1 ARG 33 -10.356 -1.973 7.806
253 HH12 ARG 33 2HH1 ARG 33 -11.613 -3.071 7.341
254 HH21 ARG 33 1HH2 ARG 33 -12.470 -1.318 4.440
255 HH22 ARG 33 2HH2 ARG 33 -12.814 -2.699 5.427
256 H SER 34 H SER 34 -6.010 -1.382 5.430
257 HA SER 34 HA SER 34 -4.901 -4.096 5.666
258 HB2 SER 34 1HB SER 34 -7.341 -4.203 5.182
259 HB3 SER 34 2HB SER 34 -7.060 -3.276 3.709
260 HG SER 34 HG SER 34 -6.888 -5.881 4.017
261 H GLY 35 H GLY 35 -3.435 -1.738 5.209
262 HA2 GLY 35 1HA GLY 35 -2.960 -0.979 2.604
263 HA3 GLY 35 2HA GLY 35 -1.718 -1.042 3.846
264 H GLU 36 H GLU 36 -2.403 -2.037 0.832
265 HA GLU 36 HA GLU 36 -0.390 -4.118 0.937
266 HB2 GLU 36 1HB GLU 36 -2.841 -5.063 1.252
267 HB3 GLU 36 2HB GLU 36 -2.901 -4.865 -0.494
268 HG2 GLU 36 1HG GLU 36 -1.215 -6.427 -0.854
269 HG3 GLU 36 2HG GLU 36 -0.654 -6.343 0.815
270 H CYS 37 H CYS 37 0.136 -4.910 -1.312
271 HA CYS 37 HA CYS 37 -0.009 -2.630 -3.158
272 HB2 CYS 37 1HB CYS 37 2.022 -3.409 -4.139
273 HB3 CYS 37 2HB CYS 37 2.242 -3.485 -2.393
274 H PHE 38 H PHE 38 -0.453 -2.953 -5.368
275 HA PHE 38 HA PHE 38 -1.188 -5.526 -6.387
276 HB2 PHE 38 1HB PHE 38 -3.269 -3.666 -5.374
277 HB3 PHE 38 2HB PHE 38 -3.589 -4.445 -6.920
278 HD1 PHE 38 HD1 PHE 38 -2.849 -7.086 -6.816
279 HD2 PHE 38 HD2 PHE 38 -4.229 -4.694 -3.578
280 HE1 PHE 38 HE1 PHE 38 -3.593 -9.114 -5.640
281 HE2 PHE 38 HE2 PHE 38 -4.975 -6.719 -2.396
282 HZ PHE 38 HZ PHE 38 -4.656 -8.933 -3.426
283 H TYR 39 H TYR 39 -2.029 -5.366 -8.642
284 HA TYR 39 HA TYR 39 -0.415 -3.618 -10.160
285 HB2 TYR 39 1HB TYR 39 -1.629 -4.526 -12.110
286 HB3 TYR 39 2HB TYR 39 -1.086 -5.796 -11.019
287 HD1 TYR 39 HD2 TYR 39 -4.016 -3.950 -12.261
288 HD2 TYR 39 HD1 TYR 39 -2.660 -7.173 -9.836
289 HE1 TYR 39 HE2 TYR 39 -6.314 -4.818 -12.138
290 HE2 TYR 39 HE1 TYR 39 -4.954 -8.050 -9.709
291 HH TYR 39 HH TYR 39 -7.036 -7.935 -10.869
292 H ASP 40 H ASP 40 -0.846 -1.741 -11.215
293 HA ASP 40 HA ASP 40 -3.294 -0.350 -10.435
294 HB2 ASP 40 1HB ASP 40 -0.720 0.502 -10.455
295 HB3 ASP 40 2HB ASP 40 -1.257 1.079 -12.030
296 H GLU 41 H GLU 41 -3.775 1.424 -12.343
297 HA GLU 41 HA GLU 41 -5.082 -0.077 -14.350
298 HB2 GLU 41 1HB GLU 41 -5.845 2.005 -15.213
299 HB3 GLU 41 2HB GLU 41 -5.794 2.172 -13.463
300 HG2 GLU 41 1HG GLU 41 -3.559 3.272 -13.727
301 HG3 GLU 41 2HG GLU 41 -3.844 3.273 -15.467
302 H LYS 42 H LYS 42 -1.927 1.280 -14.129
303 HA LYS 42 HA LYS 42 -1.491 0.964 -17.014
304 HB2 LYS 42 1HB LYS 42 0.234 2.277 -14.906
305 HB3 LYS 42 2HB LYS 42 0.628 2.180 -16.617
306 HG2 LYS 42 1HG LYS 42 -1.853 3.518 -15.571
307 HG3 LYS 42 2HG LYS 42 -0.328 4.365 -15.840
308 HD2 LYS 42 1HD LYS 42 -0.397 3.595 -18.210
309 HD3 LYS 42 2HD LYS 42 -2.002 2.929 -17.898
310 HE2 LYS 42 1HE LYS 42 -1.436 5.791 -17.256
311 HE3 LYS 42 2HE LYS 42 -1.736 5.318 -18.927
312 HZ1 LYS 42 3HZ LYS 42 -3.826 5.854 -18.146
313 HZ2 LYS 42 1HZ LYS 42 -3.556 5.189 -16.613
314 HZ3 LYS 42 2HZ LYS 42 -3.801 4.175 -17.944
315 H ARG 43 H ARG 43 -1.727 -1.258 -15.066
316 HA ARG 43 HA ARG 43 -0.735 -3.248 -14.586
317 HB2 ARG 43 1HB ARG 43 0.614 -2.401 -17.118
318 HB3 ARG 43 2HB ARG 43 1.199 -3.829 -16.275
319 HG2 ARG 43 1HG ARG 43 -1.689 -3.485 -17.013
320 HG3 ARG 43 2HG ARG 43 -0.505 -4.184 -18.120
321 HD2 ARG 43 1HD ARG 43 0.069 -5.769 -16.187
322 HD3 ARG 43 2HD ARG 43 -1.446 -5.226 -15.467
323 HE ARG 43 HE ARG 43 -1.947 -6.022 -18.104
324 HH11 ARG 43 1HH1 ARG 43 -1.024 -7.394 -15.040
325 HH12 ARG 43 2HH1 ARG 43 -1.741 -8.937 -15.367
326 HH21 ARG 43 1HH2 ARG 43 -2.895 -8.049 -18.546
327 HH22 ARG 43 2HH2 ARG 43 -2.805 -9.309 -17.362
328 H ASN 44 H ASN 44 0.314 -0.752 -13.376
329 HA ASN 44 HA ASN 44 3.108 -1.501 -12.883
330 HB2 ASN 44 1HB ASN 44 1.577 1.043 -12.319
331 HB3 ASN 44 2HB ASN 44 3.224 0.757 -11.764
332 HD21 ASN 44 2HD2 ASN 44 2.534 2.873 -13.414
333 HD22 ASN 44 1HD2 ASN 44 3.273 2.641 -14.958
334 H LEU 45 H LEU 45 3.675 -2.468 -11.049
335 HA LEU 45 HA LEU 45 1.680 -2.950 -9.012
336 HB2 LEU 45 1HB LEU 45 4.555 -3.777 -8.842
337 HB3 LEU 45 2HB LEU 45 3.137 -4.555 -8.142
338 HG LEU 45 HG LEU 45 3.818 -4.505 -11.081
339 HD11 LEU 45 1HD1 LEU 45 5.410 -5.852 -9.843
340 HD12 LEU 45 2HD1 LEU 45 4.326 -6.886 -10.773
341 HD13 LEU 45 3HD1 LEU 45 4.093 -6.702 -9.035
342 HD21 LEU 45 3HD2 LEU 45 2.057 -6.318 -11.122
343 HD22 LEU 45 1HD2 LEU 45 1.471 -4.674 -10.862
344 HD23 LEU 45 2HD2 LEU 45 1.604 -5.789 -9.502
345 H GLN 46 H GLN 46 1.388 -1.709 -7.293
346 HA GLN 46 HA GLN 46 3.679 -0.366 -6.072
347 HB2 GLN 46 1HB GLN 46 1.114 1.107 -6.680
348 HB3 GLN 46 2HB GLN 46 2.575 1.772 -5.964
349 HG2 GLN 46 1HG GLN 46 2.486 0.615 -8.735
350 HG3 GLN 46 2HG GLN 46 2.189 2.317 -8.383
351 HE21 GLN 46 2HE2 GLN 46 4.009 2.748 -9.747
352 HE22 GLN 46 1HE2 GLN 46 5.613 2.610 -9.119
353 H CYS 47 H CYS 47 3.137 0.530 -3.907
354 HA CYS 47 HA CYS 47 1.356 -1.324 -2.521
355 HB2 CYS 47 1HB CYS 47 3.741 -0.966 -1.778
356 HB3 CYS 47 2HB CYS 47 3.278 0.665 -1.304
357 H ILE 48 H ILE 48 -0.679 -0.682 -2.285
358 HA ILE 48 HA ILE 48 -1.233 2.175 -1.871
359 HB ILE 48 HB ILE 48 -3.202 0.005 -2.598
360 HG12 ILE 48 1HG1 ILE 48 -2.993 1.606 -4.802
361 HG13 ILE 48 2HG1 ILE 48 -1.329 1.590 -4.231
362 HG21 ILE 48 1HG2 ILE 48 -4.626 1.928 -3.242
363 HG22 ILE 48 2HG2 ILE 48 -4.253 1.883 -1.520
364 HG23 ILE 48 3HG2 ILE 48 -3.405 3.013 -2.575
365 HD11 ILE 48 3HD1 ILE 48 -2.934 -0.543 -5.448
366 HD12 ILE 48 1HD1 ILE 48 -1.195 -0.251 -5.499
367 HD13 ILE 48 2HD1 ILE 48 -1.919 -1.035 -4.093
368 H CYS 49 H CYS 49 -2.550 2.871 -0.183
369 HA CYS 49 HA CYS 49 -2.958 0.900 1.971
370 HB2 CYS 49 1HB CYS 49 -2.536 3.857 2.387
371 HB3 CYS 49 2HB CYS 49 -2.466 2.573 3.590
372 H ASP 50 H ASP 50 -4.920 0.785 2.930
373 HA ASP 50 HA ASP 50 -7.000 2.608 1.915
374 HB2 ASP 50 1HB ASP 50 -7.554 -0.121 3.053
375 HB3 ASP 50 2HB ASP 50 -8.565 0.856 1.991
376 H TYR 51 H TYR 51 -7.818 3.972 3.348
377 HA TYR 51 HA TYR 51 -7.635 3.286 6.206
378 HB2 TYR 51 1HB TYR 51 -6.332 5.290 5.416
379 HB3 TYR 51 2HB TYR 51 -7.866 6.055 5.017
380 HD1 TYR 51 HD2 TYR 51 -5.739 4.848 7.770
381 HD2 TYR 51 HD1 TYR 51 -9.279 6.963 6.727
382 HE1 TYR 51 HE2 TYR 51 -5.922 5.671 10.081
383 HE2 TYR 51 HE1 TYR 51 -9.471 7.793 9.034
384 HH TYR 51 HH TYR 51 -7.138 7.908 11.147
385 H CYS 52 H CYS 52 -9.485 2.839 7.180
386 HA CYS 52 HA CYS 52 -11.902 4.303 6.463
387 HB2 CYS 52 1HB CYS 52 -11.632 2.013 5.192
388 HB3 CYS 52 2HB CYS 52 -12.143 1.332 6.733
389 H GLU 53 H GLU 53 -13.002 4.877 8.224
390 HA GLU 53 HA GLU 53 -12.400 3.477 10.745
391 HB2 GLU 53 1HB GLU 53 -13.180 5.673 11.799
392 HB3 GLU 53 2HB GLU 53 -11.618 5.678 10.993
393 HG2 GLU 53 1HG GLU 53 -12.355 6.985 9.265
394 HG3 GLU 53 2HG GLU 53 -14.031 6.469 9.444
395 H TYR 54 H TYR 54 -14.003 2.071 11.106
396 HA TYR 54 HA TYR 54 -16.767 3.074 10.920
397 HB2 TYR 54 1HB TYR 54 -17.462 0.751 10.382
398 HB3 TYR 54 2HB TYR 54 -16.414 1.453 9.153
399 HD1 TYR 54 HD1 TYR 54 -16.684 -1.070 11.795
400 HD2 TYR 54 HD2 TYR 54 -14.166 0.608 8.804
401 HE1 TYR 54 HE1 TYR 54 -15.175 -3.003 11.989
402 HE2 TYR 54 HE2 TYR 54 -12.651 -1.321 8.988
403 HH TYR 54 HH TYR 54 -12.516 -3.486 9.773
Start of MODEL 18
1 H1 ASP 2 H ASP 2 -17.635 5.654 3.323
2 HA ASP 2 HA ASP 2 -16.164 4.788 0.926
3 HB2 ASP 2 1HB ASP 2 -16.614 7.670 1.722
4 HB3 ASP 2 2HB ASP 2 -15.785 7.088 0.280
5 H CYS 3 H CYS 3 -13.961 4.834 1.056
6 HA CYS 3 HA CYS 3 -12.811 5.723 3.620
7 HB2 CYS 3 1HB CYS 3 -11.739 3.430 1.980
8 HB3 CYS 3 2HB CYS 3 -11.340 3.855 3.641
9 H LYS 4 H LYS 4 -10.318 5.912 3.391
10 HA LYS 4 HA LYS 4 -9.778 7.432 0.927
11 HB2 LYS 4 1HB LYS 4 -9.627 8.980 2.662
12 HB3 LYS 4 2HB LYS 4 -8.917 7.815 3.772
13 HG2 LYS 4 1HG LYS 4 -7.302 9.503 3.073
14 HG3 LYS 4 2HG LYS 4 -6.823 7.888 2.547
15 HD2 LYS 4 1HD LYS 4 -7.772 8.379 0.315
16 HD3 LYS 4 2HD LYS 4 -8.128 10.020 0.858
17 HE2 LYS 4 1HE LYS 4 -5.354 8.900 1.037
18 HE3 LYS 4 2HE LYS 4 -5.956 9.590 -0.470
19 HZ1 LYS 4 3HZ LYS 4 -4.755 11.005 1.452
20 HZ2 LYS 4 1HZ LYS 4 -6.377 11.220 1.887
21 HZ3 LYS 4 2HZ LYS 4 -5.849 11.663 0.343
22 H ARG 5 H ARG 5 -8.501 6.394 -0.445
23 HA ARG 5 HA ARG 5 -6.327 4.730 0.647
24 HB2 ARG 5 1HB ARG 5 -6.539 3.351 -1.424
25 HB3 ARG 5 2HB ARG 5 -7.942 3.271 -0.368
26 HG2 ARG 5 1HG ARG 5 -9.270 4.486 -1.817
27 HG3 ARG 5 2HG ARG 5 -7.885 5.214 -2.635
28 HD2 ARG 5 1HD ARG 5 -8.734 3.641 -4.157
29 HD3 ARG 5 2HD ARG 5 -7.325 2.865 -3.435
30 HE ARG 5 HE ARG 5 -8.708 1.291 -2.507
31 HH11 ARG 5 1HH1 ARG 5 -10.614 3.985 -3.618
32 HH12 ARG 5 2HH1 ARG 5 -12.130 3.189 -3.353
33 HH21 ARG 5 1HH2 ARG 5 -10.697 0.234 -2.154
34 HH22 ARG 5 2HH2 ARG 5 -12.177 1.056 -2.519
35 H LYS 6 H LYS 6 -4.384 4.626 -0.618
36 HA LYS 6 HA LYS 6 -3.994 6.366 -2.857
37 HB2 LYS 6 1HB LYS 6 -3.983 8.016 -1.025
38 HB3 LYS 6 2HB LYS 6 -2.697 7.118 -0.230
39 HG2 LYS 6 1HG LYS 6 -1.100 7.893 -1.627
40 HG3 LYS 6 2HG LYS 6 -2.188 7.952 -3.015
41 HD2 LYS 6 1HD LYS 6 -1.578 10.200 -2.410
42 HD3 LYS 6 2HD LYS 6 -3.279 9.944 -2.011
43 HE2 LYS 6 1HE LYS 6 -2.696 9.586 0.322
44 HE3 LYS 6 2HE LYS 6 -0.984 9.760 -0.061
45 HZ1 LYS 6 3HZ LYS 6 -1.807 11.805 0.840
46 HZ2 LYS 6 1HZ LYS 6 -3.068 11.862 -0.287
47 HZ3 LYS 6 2HZ LYS 6 -1.468 12.045 -0.801
48 H VAL 7 H VAL 7 -2.066 5.971 -3.927
49 HA VAL 7 HA VAL 7 -0.574 3.643 -2.941
50 HB VAL 7 HB VAL 7 -1.541 3.329 -5.138
51 HG11 VAL 7 1HG1 VAL 7 0.043 5.156 -6.681
52 HG12 VAL 7 2HG1 VAL 7 -1.710 4.961 -6.636
53 HG13 VAL 7 3HG1 VAL 7 -0.913 6.042 -5.492
54 HG21 VAL 7 3HG2 VAL 7 1.447 3.732 -5.271
55 HG22 VAL 7 1HG2 VAL 7 0.609 2.280 -4.722
56 HG23 VAL 7 2HG2 VAL 7 0.494 2.780 -6.409
57 H TYR 8 H TYR 8 1.521 3.768 -2.410
58 HA TYR 8 HA TYR 8 2.836 6.374 -2.674
59 HB2 TYR 8 1HB TYR 8 2.567 4.899 -0.466
60 HB3 TYR 8 2HB TYR 8 4.053 4.178 -1.074
61 HD1 TYR 8 HD1 TYR 8 2.657 7.637 -0.729
62 HD2 TYR 8 HD2 TYR 8 5.973 5.035 -0.146
63 HE1 TYR 8 HE1 TYR 8 3.945 9.502 0.227
64 HE2 TYR 8 HE2 TYR 8 7.270 6.892 0.812
65 HH TYR 8 HH TYR 8 5.880 9.796 1.779
66 H GLU 9 H GLU 9 3.365 6.080 -4.909
67 HA GLU 9 HA GLU 9 4.881 3.914 -5.887
68 HB2 GLU 9 1HB GLU 9 5.281 5.279 -7.838
69 HB3 GLU 9 2HB GLU 9 3.617 5.501 -7.315
70 HG2 GLU 9 1HG GLU 9 4.322 7.593 -6.172
71 HG3 GLU 9 2HG GLU 9 5.920 7.388 -6.887
72 H ASN 10 H ASN 10 5.727 6.534 -3.890
73 HA ASN 10 HA ASN 10 8.432 6.886 -4.639
74 HB2 ASN 10 1HB ASN 10 6.726 7.644 -2.339
75 HB3 ASN 10 2HB ASN 10 8.458 7.582 -2.030
76 HD21 ASN 10 2HD2 ASN 10 9.483 9.410 -2.337
77 HD22 ASN 10 1HD2 ASN 10 9.024 10.670 -3.427
78 H TYR 11 H TYR 11 6.792 4.506 -2.730
79 HA TYR 11 HA TYR 11 9.145 3.542 -1.392
80 HB2 TYR 11 1HB TYR 11 6.306 3.052 -1.283
81 HB3 TYR 11 2HB TYR 11 7.180 1.526 -1.369
82 HD1 TYR 11 HD2 TYR 11 8.151 4.721 0.284
83 HD2 TYR 11 HD1 TYR 11 7.060 0.639 0.780
84 HE1 TYR 11 HE2 TYR 11 8.659 4.883 2.685
85 HE2 TYR 11 HE1 TYR 11 7.563 0.790 3.183
86 HH TYR 11 HH TYR 11 9.262 3.387 4.544
87 HA PRO 12 HA PRO 12 10.733 0.819 -4.448
88 HB2 PRO 12 1HB PRO 12 11.750 -1.158 -2.890
89 HB3 PRO 12 2HB PRO 12 12.490 0.441 -3.017
90 HG2 PRO 12 1HG PRO 12 10.692 -0.650 -0.886
91 HG3 PRO 12 2HG PRO 12 12.162 0.329 -0.718
92 HD2 PRO 12 1HD PRO 12 9.677 1.388 -0.529
93 HD3 PRO 12 2HD PRO 12 11.056 2.297 -1.180
94 H VAL 13 H VAL 13 9.976 -0.777 -5.719
95 HA VAL 13 HA VAL 13 7.529 -2.068 -5.098
96 HB VAL 13 HB VAL 13 9.475 -2.704 -7.320
97 HG11 VAL 13 1HG1 VAL 13 7.985 -4.525 -7.119
98 HG12 VAL 13 2HG1 VAL 13 6.603 -3.461 -6.846
99 HG13 VAL 13 3HG1 VAL 13 7.360 -3.535 -8.438
100 HG21 VAL 13 3HG2 VAL 13 7.206 -1.306 -8.255
101 HG22 VAL 13 1HG2 VAL 13 7.833 -0.415 -6.869
102 HG23 VAL 13 2HG2 VAL 13 8.885 -0.770 -8.240
103 H SER 14 H SER 14 10.851 -2.928 -4.666
104 HA SER 14 HA SER 14 10.713 -5.707 -4.612
105 HB2 SER 14 1HB SER 14 12.467 -3.713 -3.203
106 HB3 SER 14 2HB SER 14 12.628 -5.437 -2.871
107 HG SER 14 HG SER 14 13.258 -3.995 -5.161
108 H LYS 15 H LYS 15 9.672 -3.345 -2.271
109 HA LYS 15 HA LYS 15 9.400 -5.140 -0.076
110 HB2 LYS 15 1HB LYS 15 8.667 -2.339 -0.674
111 HB3 LYS 15 2HB LYS 15 7.656 -3.149 0.517
112 HG2 LYS 15 1HG LYS 15 9.524 -1.901 1.522
113 HG3 LYS 15 2HG LYS 15 9.571 -3.626 1.893
114 HD2 LYS 15 1HD LYS 15 11.392 -4.005 0.515
115 HD3 LYS 15 2HD LYS 15 11.082 -2.566 -0.460
116 HE2 LYS 15 1HE LYS 15 12.959 -1.994 0.802
117 HE3 LYS 15 2HE LYS 15 11.620 -1.247 1.673
118 HZ1 LYS 15 3HZ LYS 15 11.636 -3.048 3.241
119 HZ2 LYS 15 1HZ LYS 15 13.197 -2.403 3.138
120 HZ3 LYS 15 2HZ LYS 15 12.833 -3.866 2.370
121 H CYS 16 H CYS 16 7.445 -4.344 -2.819
122 HA CYS 16 HA CYS 16 4.896 -4.976 -1.971
123 HB2 CYS 16 1HB CYS 16 5.387 -4.095 -4.204
124 HB3 CYS 16 2HB CYS 16 6.162 -5.612 -4.644
125 H GLN 17 H GLN 17 7.566 -7.109 -2.727
126 HA GLN 17 HA GLN 17 6.244 -9.532 -2.999
127 HB2 GLN 17 1HB GLN 17 8.892 -9.116 -1.608
128 HB3 GLN 17 2HB GLN 17 8.327 -10.594 -2.372
129 HG2 GLN 17 1HG GLN 17 8.294 -9.379 -4.543
130 HG3 GLN 17 2HG GLN 17 9.039 -8.006 -3.727
131 HE21 GLN 17 2HE2 GLN 17 9.510 -11.518 -3.977
132 HE22 GLN 17 1HE2 GLN 17 11.222 -11.444 -4.188
133 H LEU 18 H LEU 18 6.783 -7.609 -0.171
134 HA LEU 18 HA LEU 18 5.851 -9.788 1.562
135 HB2 LEU 18 1HB LEU 18 7.052 -7.120 2.286
136 HB3 LEU 18 2HB LEU 18 6.597 -8.387 3.424
137 HG LEU 18 HG LEU 18 8.675 -8.824 1.295
138 HD11 LEU 18 1HD1 LEU 18 8.937 -7.517 3.972
139 HD12 LEU 18 2HD1 LEU 18 9.656 -7.061 2.428
140 HD13 LEU 18 3HD1 LEU 18 10.264 -8.467 3.302
141 HD21 LEU 18 3HD2 LEU 18 8.918 -10.187 3.850
142 HD22 LEU 18 1HD2 LEU 18 8.928 -10.840 2.212
143 HD23 LEU 18 2HD2 LEU 18 7.395 -10.542 3.032
144 H ALA 19 H ALA 19 3.877 -9.762 2.441
145 HA ALA 19 HA ALA 19 2.050 -7.648 1.706
146 HB1 ALA 19 3HB ALA 19 0.925 -9.615 1.526
147 HB2 ALA 19 1HB ALA 19 1.809 -10.370 2.852
148 HB3 ALA 19 2HB ALA 19 0.513 -9.225 3.196
149 H ASN 20 H ASN 20 3.214 -9.087 4.749
150 HA ASN 20 HA ASN 20 1.846 -7.395 6.499
151 HB2 ASN 20 1HB ASN 20 3.724 -7.982 8.114
152 HB3 ASN 20 2HB ASN 20 2.854 -9.343 7.410
153 HD21 ASN 20 2HD2 ASN 20 5.855 -7.706 7.683
154 HD22 ASN 20 1HD2 ASN 20 6.802 -8.826 6.770
155 H GLN 21 H GLN 21 4.890 -6.973 4.798
156 HA GLN 21 HA GLN 21 5.836 -4.724 6.184
157 HB2 GLN 21 1HB GLN 21 7.316 -5.908 4.723
158 HB3 GLN 21 2HB GLN 21 6.262 -5.641 3.341
159 HG2 GLN 21 1HG GLN 21 8.161 -4.188 3.186
160 HG3 GLN 21 2HG GLN 21 6.717 -3.226 3.495
161 HE21 GLN 21 2HE2 GLN 21 9.300 -4.886 5.273
162 HE22 GLN 21 1HE2 GLN 21 9.516 -3.646 6.456
163 H CYS 22 H CYS 22 3.795 -4.982 3.292
164 HA CYS 22 HA CYS 22 3.575 -2.263 2.712
165 HB2 CYS 22 1HB CYS 22 2.225 -4.715 1.946
166 HB3 CYS 22 2HB CYS 22 1.093 -3.372 2.062
167 H ASN 23 H ASN 23 1.252 -4.286 4.516
168 HA ASN 23 HA ASN 23 -0.363 -2.139 5.359
169 HB2 ASN 23 1HB ASN 23 -1.334 -4.296 5.436
170 HB3 ASN 23 2HB ASN 23 0.002 -4.952 6.377
171 HD21 ASN 23 2HD2 ASN 23 -3.079 -3.624 6.476
172 HD22 ASN 23 1HD2 ASN 23 -3.202 -3.392 8.184
173 H TYR 24 H TYR 24 2.596 -3.466 6.595
174 HA TYR 24 HA TYR 24 2.459 -2.483 9.232
175 HB2 TYR 24 1HB TYR 24 4.090 -4.158 8.683
176 HB3 TYR 24 2HB TYR 24 4.820 -3.125 7.460
177 HD1 TYR 24 HD1 TYR 24 4.015 -2.992 11.113
178 HD2 TYR 24 HD2 TYR 24 6.805 -2.105 8.024
179 HE1 TYR 24 HE1 TYR 24 5.591 -2.129 12.792
180 HE2 TYR 24 HE2 TYR 24 8.390 -1.241 9.696
181 HH TYR 24 HH TYR 24 8.529 -1.867 12.593
182 H ASP 25 H ASP 25 3.984 -1.130 6.316
183 HA ASP 25 HA ASP 25 4.724 1.307 7.620
184 HB2 ASP 25 1HB ASP 25 6.021 0.484 5.729
185 HB3 ASP 25 2HB ASP 25 4.607 0.588 4.684
186 H CYS 26 H CYS 26 2.008 0.217 5.698
187 HA CYS 26 HA CYS 26 0.894 2.777 5.188
188 HB2 CYS 26 1HB CYS 26 -0.245 -0.014 5.159
189 HB3 CYS 26 2HB CYS 26 -1.236 1.399 4.810
190 H LYS 27 H LYS 27 0.072 0.261 7.574
191 HA LYS 27 HA LYS 27 -1.891 1.794 8.910
192 HB2 LYS 27 1HB LYS 27 -0.283 -0.629 9.690
193 HB3 LYS 27 2HB LYS 27 -1.428 0.113 10.799
194 HG2 LYS 27 1HG LYS 27 -3.002 -0.141 8.647
195 HG3 LYS 27 2HG LYS 27 -1.901 -1.493 8.371
196 HD2 LYS 27 1HD LYS 27 -3.812 -2.257 9.636
197 HD3 LYS 27 2HD LYS 27 -2.376 -2.296 10.663
198 HE2 LYS 27 1HE LYS 27 -3.299 -0.889 12.119
199 HE3 LYS 27 2HE LYS 27 -3.690 0.262 10.842
200 HZ1 LYS 27 3HZ LYS 27 -5.437 -1.964 10.735
201 HZ2 LYS 27 1HZ LYS 27 -5.809 -0.327 10.944
202 HZ3 LYS 27 2HZ LYS 27 -5.456 -1.292 12.288
203 H LEU 28 H LEU 28 1.468 2.065 8.844
204 HA LEU 28 HA LEU 28 1.833 3.047 11.522
205 HB2 LEU 28 1HB LEU 28 3.669 1.968 10.386
206 HB3 LEU 28 2HB LEU 28 3.596 3.148 9.080
207 HG LEU 28 HG LEU 28 4.342 4.898 10.617
208 HD11 LEU 28 1HD1 LEU 28 5.006 4.432 12.863
209 HD12 LEU 28 2HD1 LEU 28 4.676 2.712 12.661
210 HD13 LEU 28 3HD1 LEU 28 3.347 3.871 12.658
211 HD21 LEU 28 3HD2 LEU 28 5.978 3.564 9.337
212 HD22 LEU 28 1HD2 LEU 28 6.134 2.474 10.715
213 HD23 LEU 28 2HD2 LEU 28 6.628 4.160 10.865
214 H ASP 29 H ASP 29 2.206 4.618 8.338
215 HA ASP 29 HA ASP 29 1.724 7.208 9.599
216 HB2 ASP 29 1HB ASP 29 3.469 6.403 7.611
217 HB3 ASP 29 2HB ASP 29 2.191 7.217 6.713
218 H LYS 30 H LYS 30 0.546 5.346 6.800
219 HA LYS 30 HA LYS 30 -1.639 7.096 6.288
220 HB2 LYS 30 1HB LYS 30 -1.438 4.210 5.435
221 HB3 LYS 30 2HB LYS 30 -2.329 5.507 4.649
222 HG2 LYS 30 1HG LYS 30 0.373 6.311 4.770
223 HG3 LYS 30 2HG LYS 30 0.344 4.640 4.201
224 HD2 LYS 30 1HD LYS 30 0.014 5.625 2.194
225 HD3 LYS 30 2HD LYS 30 -1.666 5.669 2.734
226 HE2 LYS 30 1HE LYS 30 0.141 7.922 3.468
227 HE3 LYS 30 2HE LYS 30 -0.466 7.827 1.815
228 HZ1 LYS 30 3HZ LYS 30 -2.651 7.387 3.429
229 HZ2 LYS 30 1HZ LYS 30 -2.299 8.795 2.560
230 HZ3 LYS 30 2HZ LYS 30 -1.814 8.655 4.173
231 H HIS 31 H HIS 31 -1.103 4.832 8.699
232 HA HIS 31 HA HIS 31 -2.427 3.729 10.197
233 HB2 HIS 31 1HB HIS 31 -2.940 6.280 10.464
234 HB3 HIS 31 2HB HIS 31 -4.506 5.849 9.783
235 HD1 HIS 31 HD1 HIS 31 -5.506 6.573 12.129
236 HD2 HIS 31 HD2 HIS 31 -3.060 3.214 12.185
237 HE1 HIS 31 HE1 HIS 31 -5.957 5.449 14.333
238 H ALA 32 H ALA 32 -2.772 2.980 7.410
239 HA ALA 32 HA ALA 32 -5.470 2.636 6.713
240 HB1 ALA 32 3HB ALA 32 -4.649 1.642 4.886
241 HB2 ALA 32 1HB ALA 32 -3.067 2.103 5.517
242 HB3 ALA 32 2HB ALA 32 -3.704 0.487 5.826
243 H ARG 33 H ARG 33 -5.695 -0.121 6.202
244 HA ARG 33 HA ARG 33 -5.716 -1.341 8.871
245 HB2 ARG 33 1HB ARG 33 -8.000 -2.193 8.467
246 HB3 ARG 33 2HB ARG 33 -7.943 -0.438 8.554
247 HG2 ARG 33 1HG ARG 33 -7.677 -0.746 5.911
248 HG3 ARG 33 2HG ARG 33 -8.596 -2.205 6.285
249 HD2 ARG 33 1HD ARG 33 -9.777 -0.083 7.726
250 HD3 ARG 33 2HD ARG 33 -9.506 0.495 6.083
251 HE ARG 33 HE ARG 33 -11.112 -0.964 5.336
252 HH11 ARG 33 1HH1 ARG 33 -10.225 -1.789 8.599
253 HH12 ARG 33 2HH1 ARG 33 -11.504 -2.942 8.794
254 HH21 ARG 33 1HH2 ARG 33 -12.800 -2.479 5.580
255 HH22 ARG 33 2HH2 ARG 33 -12.967 -3.334 7.076
256 H SER 34 H SER 34 -5.918 -1.738 5.381
257 HA SER 34 HA SER 34 -4.788 -4.432 5.691
258 HB2 SER 34 1HB SER 34 -7.285 -4.436 5.132
259 HB3 SER 34 2HB SER 34 -6.824 -3.781 3.560
260 HG SER 34 HG SER 34 -5.647 -6.133 4.591
261 H GLY 35 H GLY 35 -3.313 -2.116 5.230
262 HA2 GLY 35 1HA GLY 35 -2.810 -1.310 2.659
263 HA3 GLY 35 2HA GLY 35 -1.561 -1.464 3.885
264 H GLU 36 H GLU 36 -2.235 -2.285 0.842
265 HA GLU 36 HA GLU 36 -0.338 -4.471 0.871
266 HB2 GLU 36 1HB GLU 36 -2.848 -5.296 1.106
267 HB3 GLU 36 2HB GLU 36 -2.853 -5.034 -0.632
268 HG2 GLU 36 1HG GLU 36 -1.398 -6.740 -1.038
269 HG3 GLU 36 2HG GLU 36 -0.623 -6.604 0.538
270 H CYS 37 H CYS 37 0.056 -5.237 -1.465
271 HA CYS 37 HA CYS 37 -0.025 -2.878 -3.230
272 HB2 CYS 37 1HB CYS 37 2.075 -3.593 -4.180
273 HB3 CYS 37 2HB CYS 37 2.245 -3.530 -2.429
274 H PHE 38 H PHE 38 -0.498 -3.159 -5.404
275 HA PHE 38 HA PHE 38 -0.880 -5.706 -6.607
276 HB2 PHE 38 1HB PHE 38 -3.268 -5.765 -6.794
277 HB3 PHE 38 2HB PHE 38 -2.880 -5.571 -5.088
278 HD1 PHE 38 HD1 PHE 38 -3.250 -3.421 -3.969
279 HD2 PHE 38 HD2 PHE 38 -4.415 -4.067 -8.011
280 HE1 PHE 38 HE1 PHE 38 -4.689 -1.427 -3.869
281 HE2 PHE 38 HE2 PHE 38 -5.855 -2.075 -7.918
282 HZ PHE 38 HZ PHE 38 -5.993 -0.751 -5.845
283 H TYR 39 H TYR 39 -1.946 -5.484 -8.792
284 HA TYR 39 HA TYR 39 -0.680 -3.487 -10.277
285 HB2 TYR 39 1HB TYR 39 -2.766 -5.532 -10.830
286 HB3 TYR 39 2HB TYR 39 -2.600 -4.221 -11.992
287 HD1 TYR 39 HD1 TYR 39 0.170 -3.715 -12.272
288 HD2 TYR 39 HD2 TYR 39 -1.754 -7.451 -11.600
289 HE1 TYR 39 HE1 TYR 39 2.071 -4.875 -13.315
290 HE2 TYR 39 HE2 TYR 39 0.143 -8.621 -12.642
291 HH TYR 39 HH TYR 39 1.984 -8.302 -13.998
292 H ASP 40 H ASP 40 -1.112 -1.404 -10.492
293 HA ASP 40 HA ASP 40 -3.663 -0.346 -9.593
294 HB2 ASP 40 1HB ASP 40 -2.553 1.876 -10.023
295 HB3 ASP 40 2HB ASP 40 -1.741 0.859 -8.837
296 H GLU 41 H GLU 41 -4.221 1.777 -11.056
297 HA GLU 41 HA GLU 41 -5.486 0.771 -13.334
298 HB2 GLU 41 1HB GLU 41 -5.971 3.106 -13.896
299 HB3 GLU 41 2HB GLU 41 -6.244 2.790 -12.188
300 HG2 GLU 41 1HG GLU 41 -3.868 3.696 -11.847
301 HG3 GLU 41 2HG GLU 41 -4.034 4.338 -13.481
302 H LYS 42 H LYS 42 -2.272 1.917 -12.870
303 HA LYS 42 HA LYS 42 -1.803 2.259 -15.728
304 HB2 LYS 42 1HB LYS 42 -0.033 2.660 -13.314
305 HB3 LYS 42 2HB LYS 42 0.522 2.867 -14.970
306 HG2 LYS 42 1HG LYS 42 -1.337 4.565 -15.235
307 HG3 LYS 42 2HG LYS 42 -1.525 4.483 -13.482
308 HD2 LYS 42 1HD LYS 42 0.820 5.137 -13.206
309 HD3 LYS 42 2HD LYS 42 1.002 5.222 -14.960
310 HE2 LYS 42 1HE LYS 42 0.660 7.442 -14.218
311 HE3 LYS 42 2HE LYS 42 -0.858 6.925 -14.949
312 HZ1 LYS 42 3HZ LYS 42 -0.610 8.034 -12.501
313 HZ2 LYS 42 1HZ LYS 42 -0.687 6.386 -12.128
314 HZ3 LYS 42 2HZ LYS 42 -1.930 7.112 -13.017
315 H ARG 43 H ARG 43 -2.290 -0.362 -14.152
316 HA ARG 43 HA ARG 43 -1.603 -2.529 -14.253
317 HB2 ARG 43 1HB ARG 43 -0.243 -1.456 -16.727
318 HB3 ARG 43 2HB ARG 43 -0.282 -3.163 -16.306
319 HG2 ARG 43 1HG ARG 43 -2.331 -3.404 -17.123
320 HG3 ARG 43 2HG ARG 43 -2.924 -1.995 -16.242
321 HD2 ARG 43 1HD ARG 43 -3.189 -1.660 -18.627
322 HD3 ARG 43 2HD ARG 43 -1.993 -0.535 -17.985
323 HE ARG 43 HE ARG 43 -0.567 -2.717 -18.865
324 HH11 ARG 43 1HH1 ARG 43 -2.750 -0.395 -20.266
325 HH12 ARG 43 2HH1 ARG 43 -2.023 -0.464 -21.837
326 HH21 ARG 43 1HH2 ARG 43 0.399 -2.815 -20.929
327 HH22 ARG 43 2HH2 ARG 43 -0.232 -1.842 -22.214
328 H ASN 44 H ASN 44 0.060 -0.462 -12.855
329 HA ASN 44 HA ASN 44 2.652 -1.858 -12.892
330 HB2 ASN 44 1HB ASN 44 1.888 0.963 -12.170
331 HB3 ASN 44 2HB ASN 44 3.407 0.261 -11.622
332 HD21 ASN 44 2HD2 ASN 44 2.587 2.421 -13.605
333 HD22 ASN 44 1HD2 ASN 44 3.508 2.046 -15.019
334 H LEU 45 H LEU 45 3.405 -2.831 -11.089
335 HA LEU 45 HA LEU 45 1.573 -3.260 -8.918
336 HB2 LEU 45 1HB LEU 45 4.446 -4.136 -9.069
337 HB3 LEU 45 2HB LEU 45 3.153 -4.837 -8.099
338 HG LEU 45 HG LEU 45 2.988 -4.882 -11.088
339 HD11 LEU 45 1HD1 LEU 45 4.647 -6.658 -9.328
340 HD12 LEU 45 2HD1 LEU 45 5.112 -5.832 -10.816
341 HD13 LEU 45 3HD1 LEU 45 4.008 -7.207 -10.878
342 HD21 LEU 45 3HD2 LEU 45 1.871 -6.521 -8.826
343 HD22 LEU 45 1HD2 LEU 45 1.794 -7.036 -10.512
344 HD23 LEU 45 2HD2 LEU 45 0.996 -5.545 -10.007
345 H GLN 46 H GLN 46 1.344 -1.880 -7.297
346 HA GLN 46 HA GLN 46 3.736 -0.685 -6.103
347 HB2 GLN 46 1HB GLN 46 1.238 0.898 -6.721
348 HB3 GLN 46 2HB GLN 46 2.700 1.505 -5.955
349 HG2 GLN 46 1HG GLN 46 3.834 0.688 -8.166
350 HG3 GLN 46 2HG GLN 46 2.196 0.816 -8.806
351 HE21 GLN 46 2HE2 GLN 46 4.796 2.368 -9.141
352 HE22 GLN 46 1HE2 GLN 46 4.313 4.017 -8.960
353 H CYS 47 H CYS 47 3.257 0.286 -3.940
354 HA CYS 47 HA CYS 47 1.468 -1.502 -2.487
355 HB2 CYS 47 1HB CYS 47 3.861 -1.135 -1.779
356 HB3 CYS 47 2HB CYS 47 3.410 0.512 -1.348
357 H ILE 48 H ILE 48 -0.562 -0.849 -2.244
358 HA ILE 48 HA ILE 48 -1.088 2.020 -1.851
359 HB ILE 48 HB ILE 48 -3.084 -0.101 -2.640
360 HG12 ILE 48 1HG1 ILE 48 -2.788 1.467 -4.845
361 HG13 ILE 48 2HG1 ILE 48 -1.139 1.449 -4.229
362 HG21 ILE 48 1HG2 ILE 48 -4.055 1.854 -1.563
363 HG22 ILE 48 2HG2 ILE 48 -3.220 2.910 -2.700
364 HG23 ILE 48 3HG2 ILE 48 -4.475 1.813 -3.275
365 HD11 ILE 48 3HD1 ILE 48 -0.883 -0.468 -5.303
366 HD12 ILE 48 1HD1 ILE 48 -1.946 -1.196 -4.101
367 HD13 ILE 48 2HD1 ILE 48 -2.612 -0.600 -5.622
368 H CYS 49 H CYS 49 -2.386 2.720 -0.165
369 HA CYS 49 HA CYS 49 -2.831 0.739 1.968
370 HB2 CYS 49 1HB CYS 49 -2.564 3.713 2.381
371 HB3 CYS 49 2HB CYS 49 -2.435 2.432 3.583
372 H ASP 50 H ASP 50 -4.768 0.727 3.084
373 HA ASP 50 HA ASP 50 -6.911 2.403 1.948
374 HB2 ASP 50 1HB ASP 50 -7.451 -0.325 3.075
375 HB3 ASP 50 2HB ASP 50 -8.399 0.608 1.920
376 H TYR 51 H TYR 51 -7.531 3.839 3.413
377 HA TYR 51 HA TYR 51 -7.652 3.001 6.236
378 HB2 TYR 51 1HB TYR 51 -5.983 4.753 5.860
379 HB3 TYR 51 2HB TYR 51 -7.202 5.770 5.101
380 HD1 TYR 51 HD2 TYR 51 -7.445 3.724 8.204
381 HD2 TYR 51 HD1 TYR 51 -7.378 7.623 6.504
382 HE1 TYR 51 HE2 TYR 51 -8.000 4.685 10.400
383 HE2 TYR 51 HE1 TYR 51 -7.933 8.595 8.694
384 HH TYR 51 HH TYR 51 -8.921 7.970 10.788
385 H CYS 52 H CYS 52 -9.674 2.624 6.837
386 HA CYS 52 HA CYS 52 -11.845 4.181 5.621
387 HB2 CYS 52 1HB CYS 52 -11.817 1.533 7.069
388 HB3 CYS 52 2HB CYS 52 -13.305 2.382 6.661
389 H GLU 53 H GLU 53 -13.783 4.435 7.209
390 HA GLU 53 HA GLU 53 -12.731 5.444 9.772
391 HB2 GLU 53 1HB GLU 53 -13.392 7.238 8.176
392 HB3 GLU 53 2HB GLU 53 -15.027 6.592 8.176
393 HG2 GLU 53 1HG GLU 53 -15.436 7.268 10.350
394 HG3 GLU 53 2HG GLU 53 -13.722 7.389 10.741
395 H TYR 54 H TYR 54 -13.409 4.191 11.374
396 HA TYR 54 HA TYR 54 -16.145 3.103 11.247
397 HB2 TYR 54 1HB TYR 54 -15.234 1.358 12.869
398 HB3 TYR 54 2HB TYR 54 -14.670 1.254 11.205
399 HD1 TYR 54 HD1 TYR 54 -13.690 2.804 14.462
400 HD2 TYR 54 HD2 TYR 54 -12.406 0.988 10.834
401 HE1 TYR 54 HE1 TYR 54 -11.362 2.883 15.253
402 HE2 TYR 54 HE2 TYR 54 -10.075 1.061 11.616
403 HH TYR 54 HH TYR 54 -8.913 1.128 13.935
Start of MODEL 19
1 H1 ASP 2 H ASP 2 -18.740 4.981 4.302
2 HA ASP 2 HA ASP 2 -16.993 4.406 2.339
3 HB2 ASP 2 1HB ASP 2 -18.323 6.476 2.416
4 HB3 ASP 2 2HB ASP 2 -17.246 7.120 3.652
5 H CYS 3 H CYS 3 -14.812 4.492 1.933
6 HA CYS 3 HA CYS 3 -13.048 5.089 4.210
7 HB2 CYS 3 1HB CYS 3 -12.521 2.803 2.319
8 HB3 CYS 3 2HB CYS 3 -11.763 3.132 3.875
9 H LYS 4 H LYS 4 -10.676 5.144 3.402
10 HA LYS 4 HA LYS 4 -10.585 6.496 0.786
11 HB2 LYS 4 1HB LYS 4 -8.707 7.883 1.855
12 HB3 LYS 4 2HB LYS 4 -10.363 8.267 2.306
13 HG2 LYS 4 1HG LYS 4 -10.089 6.962 4.366
14 HG3 LYS 4 2HG LYS 4 -8.416 6.630 3.918
15 HD2 LYS 4 1HD LYS 4 -9.548 9.401 4.280
16 HD3 LYS 4 2HD LYS 4 -8.700 8.508 5.544
17 HE2 LYS 4 1HE LYS 4 -7.589 9.357 2.872
18 HE3 LYS 4 2HE LYS 4 -7.171 10.027 4.449
19 HZ1 LYS 4 3HZ LYS 4 -6.614 7.274 3.486
20 HZ2 LYS 4 1HZ LYS 4 -6.328 7.807 5.067
21 HZ3 LYS 4 2HZ LYS 4 -5.480 8.496 3.775
22 H ARG 5 H ARG 5 -8.646 6.293 -0.402
23 HA ARG 5 HA ARG 5 -6.618 4.456 0.600
24 HB2 ARG 5 1HB ARG 5 -6.735 3.124 -1.524
25 HB3 ARG 5 2HB ARG 5 -8.111 2.913 -0.449
26 HG2 ARG 5 1HG ARG 5 -9.555 4.008 -1.855
27 HG3 ARG 5 2HG ARG 5 -8.270 4.944 -2.620
28 HD2 ARG 5 1HD ARG 5 -9.014 3.349 -4.216
29 HD3 ARG 5 2HD ARG 5 -7.444 2.801 -3.631
30 HE ARG 5 HE ARG 5 -9.578 1.643 -2.146
31 HH11 ARG 5 1HH1 ARG 5 -7.837 1.431 -5.154
32 HH12 ARG 5 2HH1 ARG 5 -8.175 -0.253 -5.381
33 HH21 ARG 5 1HH2 ARG 5 -10.029 -0.574 -2.435
34 HH22 ARG 5 2HH2 ARG 5 -9.423 -1.393 -3.835
35 H LYS 6 H LYS 6 -4.655 4.487 -0.628
36 HA LYS 6 HA LYS 6 -4.355 6.333 -2.813
37 HB2 LYS 6 1HB LYS 6 -4.304 7.967 -1.066
38 HB3 LYS 6 2HB LYS 6 -3.221 6.981 -0.093
39 HG2 LYS 6 1HG LYS 6 -1.377 7.536 -1.328
40 HG3 LYS 6 2HG LYS 6 -2.317 7.867 -2.785
41 HD2 LYS 6 1HD LYS 6 -1.504 9.953 -1.940
42 HD3 LYS 6 2HD LYS 6 -3.241 9.885 -1.634
43 HE2 LYS 6 1HE LYS 6 -2.921 9.443 0.659
44 HE3 LYS 6 2HE LYS 6 -1.217 9.055 0.426
45 HZ1 LYS 6 3HZ LYS 6 -1.955 11.721 -0.398
46 HZ2 LYS 6 1HZ LYS 6 -0.638 11.198 0.527
47 HZ3 LYS 6 2HZ LYS 6 -2.143 11.436 1.259
48 H VAL 7 H VAL 7 -2.562 5.900 -4.017
49 HA VAL 7 HA VAL 7 -0.877 3.685 -3.072
50 HB VAL 7 HB VAL 7 -2.035 3.185 -5.135
51 HG11 VAL 7 1HG1 VAL 7 -1.503 5.916 -5.722
52 HG12 VAL 7 2HG1 VAL 7 -0.794 4.923 -6.997
53 HG13 VAL 7 3HG1 VAL 7 -2.508 4.772 -6.611
54 HG21 VAL 7 3HG2 VAL 7 -0.262 2.137 -6.017
55 HG22 VAL 7 1HG2 VAL 7 0.590 3.650 -6.330
56 HG23 VAL 7 2HG2 VAL 7 0.661 2.912 -4.729
57 H TYR 8 H TYR 8 1.240 3.958 -2.736
58 HA TYR 8 HA TYR 8 2.420 6.549 -3.490
59 HB2 TYR 8 1HB TYR 8 2.363 5.135 -1.011
60 HB3 TYR 8 2HB TYR 8 4.032 5.213 -1.562
61 HD1 TYR 8 HD2 TYR 8 4.228 7.795 -2.850
62 HD2 TYR 8 HD1 TYR 8 2.099 6.705 0.668
63 HE1 TYR 8 HE2 TYR 8 4.392 10.112 -2.040
64 HE2 TYR 8 HE1 TYR 8 2.255 9.018 1.488
65 HH TYR 8 HH TYR 8 4.345 11.260 0.278
66 H GLU 9 H GLU 9 3.109 5.929 -5.547
67 HA GLU 9 HA GLU 9 4.573 3.583 -6.104
68 HB2 GLU 9 1HB GLU 9 5.137 4.643 -8.221
69 HB3 GLU 9 2HB GLU 9 3.441 4.907 -7.840
70 HG2 GLU 9 1HG GLU 9 4.517 7.124 -6.761
71 HG3 GLU 9 2HG GLU 9 5.652 6.831 -8.078
72 H ASN 10 H ASN 10 5.454 6.540 -4.615
73 HA ASN 10 HA ASN 10 8.197 6.631 -5.264
74 HB2 ASN 10 1HB ASN 10 8.368 8.329 -3.696
75 HB3 ASN 10 2HB ASN 10 6.651 8.388 -4.083
76 HD21 ASN 10 2HD2 ASN 10 8.265 9.101 -1.656
77 HD22 ASN 10 1HD2 ASN 10 7.469 8.289 -0.355
78 H TYR 11 H TYR 11 6.424 4.486 -3.325
79 HA TYR 11 HA TYR 11 8.566 3.806 -1.520
80 HB2 TYR 11 1HB TYR 11 5.750 3.158 -1.813
81 HB3 TYR 11 2HB TYR 11 6.710 1.723 -1.474
82 HD1 TYR 11 HD2 TYR 11 7.233 5.210 -0.279
83 HD2 TYR 11 HD1 TYR 11 6.197 1.211 0.746
84 HE1 TYR 11 HE2 TYR 11 7.286 5.812 2.105
85 HE2 TYR 11 HE1 TYR 11 6.245 1.805 3.132
86 HH TYR 11 HH TYR 11 7.049 5.102 4.190
87 HA PRO 12 HA PRO 12 10.635 0.732 -3.870
88 HB2 PRO 12 1HB PRO 12 11.221 -1.125 -1.978
89 HB3 PRO 12 2HB PRO 12 12.031 0.444 -2.068
90 HG2 PRO 12 1HG PRO 12 9.781 -0.427 -0.297
91 HG3 PRO 12 2HG PRO 12 11.215 0.533 0.108
92 HD2 PRO 12 1HD PRO 12 8.790 1.652 -0.328
93 HD3 PRO 12 2HD PRO 12 10.308 2.476 -0.735
94 H VAL 13 H VAL 13 9.889 -0.737 -5.255
95 HA VAL 13 HA VAL 13 7.404 -2.054 -4.891
96 HB VAL 13 HB VAL 13 9.546 -2.674 -6.928
97 HG11 VAL 13 1HG1 VAL 13 6.671 -3.446 -6.636
98 HG12 VAL 13 2HG1 VAL 13 7.403 -3.326 -8.237
99 HG13 VAL 13 3HG1 VAL 13 8.063 -4.448 -7.046
100 HG21 VAL 13 3HG2 VAL 13 7.458 -1.201 -8.090
101 HG22 VAL 13 1HG2 VAL 13 7.885 -0.359 -6.600
102 HG23 VAL 13 2HG2 VAL 13 9.121 -0.681 -7.815
103 H SER 14 H SER 14 10.681 -2.908 -4.178
104 HA SER 14 HA SER 14 10.536 -5.691 -4.173
105 HB2 SER 14 1HB SER 14 12.110 -4.013 -2.209
106 HB3 SER 14 2HB SER 14 12.471 -5.658 -2.737
107 HG SER 14 HG SER 14 13.734 -4.061 -3.821
108 H LYS 15 H LYS 15 9.323 -3.348 -1.900
109 HA LYS 15 HA LYS 15 8.898 -5.145 0.265
110 HB2 LYS 15 1HB LYS 15 8.181 -2.356 -0.394
111 HB3 LYS 15 2HB LYS 15 7.079 -3.176 0.704
112 HG2 LYS 15 1HG LYS 15 8.832 -1.912 1.874
113 HG3 LYS 15 2HG LYS 15 8.880 -3.638 2.239
114 HD2 LYS 15 1HD LYS 15 10.732 -3.958 0.739
115 HD3 LYS 15 2HD LYS 15 10.618 -2.289 0.176
116 HE2 LYS 15 1HE LYS 15 11.372 -3.224 2.942
117 HE3 LYS 15 2HE LYS 15 12.439 -2.488 1.748
118 HZ1 LYS 15 3HZ LYS 15 10.948 -0.494 1.872
119 HZ2 LYS 15 1HZ LYS 15 11.848 -0.805 3.269
120 HZ3 LYS 15 2HZ LYS 15 10.206 -1.206 3.215
121 H CYS 16 H CYS 16 7.115 -4.331 -2.602
122 HA CYS 16 HA CYS 16 4.534 -5.055 -1.922
123 HB2 CYS 16 1HB CYS 16 5.106 -4.065 -4.082
124 HB3 CYS 16 2HB CYS 16 5.974 -5.528 -4.541
125 H GLN 17 H GLN 17 7.314 -7.073 -2.539
126 HA GLN 17 HA GLN 17 6.069 -9.522 -3.003
127 HB2 GLN 17 1HB GLN 17 8.142 -10.540 -2.490
128 HB3 GLN 17 2HB GLN 17 8.540 -8.972 -3.179
129 HG2 GLN 17 1HG GLN 17 8.618 -8.178 -0.721
130 HG3 GLN 17 2HG GLN 17 8.748 -9.896 -0.347
131 HE21 GLN 17 2HE2 GLN 17 10.825 -9.675 0.464
132 HE22 GLN 17 1HE2 GLN 17 12.191 -9.397 -0.556
133 H LEU 18 H LEU 18 6.358 -7.674 -0.105
134 HA LEU 18 HA LEU 18 5.418 -9.949 1.502
135 HB2 LEU 18 1HB LEU 18 6.539 -7.300 2.404
136 HB3 LEU 18 2HB LEU 18 6.072 -8.638 3.453
137 HG LEU 18 HG LEU 18 8.244 -8.902 1.390
138 HD11 LEU 18 1HD1 LEU 18 8.365 -7.779 4.160
139 HD12 LEU 18 2HD1 LEU 18 9.123 -7.189 2.681
140 HD13 LEU 18 3HD1 LEU 18 9.743 -8.638 3.472
141 HD21 LEU 18 3HD2 LEU 18 7.103 -10.910 2.470
142 HD22 LEU 18 1HD2 LEU 18 7.883 -10.400 3.968
143 HD23 LEU 18 2HD2 LEU 18 8.863 -10.835 2.567
144 H ALA 19 H ALA 19 3.482 -9.898 2.535
145 HA ALA 19 HA ALA 19 1.619 -7.825 1.711
146 HB1 ALA 19 3HB ALA 19 1.260 -10.456 3.126
147 HB2 ALA 19 1HB ALA 19 -0.061 -9.318 2.857
148 HB3 ALA 19 2HB ALA 19 0.785 -10.029 1.482
149 H ASN 20 H ASN 20 3.036 -9.108 4.681
150 HA ASN 20 HA ASN 20 1.519 -7.448 6.433
151 HB2 ASN 20 1HB ASN 20 4.119 -8.932 6.882
152 HB3 ASN 20 2HB ASN 20 3.166 -8.166 8.151
153 HD21 ASN 20 2HD2 ASN 20 3.560 -10.905 6.159
154 HD22 ASN 20 1HD2 ASN 20 2.215 -11.815 6.750
155 H GLN 21 H GLN 21 4.619 -7.157 4.813
156 HA GLN 21 HA GLN 21 5.645 -4.971 6.235
157 HB2 GLN 21 1HB GLN 21 6.923 -6.390 4.623
158 HB3 GLN 21 2HB GLN 21 6.071 -5.591 3.309
159 HG2 GLN 21 1HG GLN 21 8.399 -4.754 3.864
160 HG3 GLN 21 2HG GLN 21 7.124 -3.546 3.712
161 HE21 GLN 21 2HE2 GLN 21 9.184 -5.278 5.930
162 HE22 GLN 21 1HE2 GLN 21 8.981 -4.204 7.267
163 H CYS 22 H CYS 22 3.648 -5.092 3.302
164 HA CYS 22 HA CYS 22 3.561 -2.363 2.756
165 HB2 CYS 22 1HB CYS 22 2.138 -4.734 1.921
166 HB3 CYS 22 2HB CYS 22 1.027 -3.378 2.089
167 H ASN 23 H ASN 23 1.075 -4.273 4.465
168 HA ASN 23 HA ASN 23 -0.433 -2.070 5.322
169 HB2 ASN 23 1HB ASN 23 -1.549 -4.125 5.418
170 HB3 ASN 23 2HB ASN 23 -0.214 -4.919 6.249
171 HD21 ASN 23 2HD2 ASN 23 0.087 -4.537 8.469
172 HD22 ASN 23 1HD2 ASN 23 -1.203 -3.956 9.461
173 H TYR 24 H TYR 24 2.399 -3.612 6.658
174 HA TYR 24 HA TYR 24 2.287 -2.612 9.271
175 HB2 TYR 24 1HB TYR 24 3.856 -4.352 8.701
176 HB3 TYR 24 2HB TYR 24 4.660 -3.310 7.533
177 HD1 TYR 24 HD1 TYR 24 3.946 -3.663 11.166
178 HD2 TYR 24 HD2 TYR 24 6.473 -1.980 8.185
179 HE1 TYR 24 HE1 TYR 24 5.505 -2.919 12.917
180 HE2 TYR 24 HE2 TYR 24 8.039 -1.232 9.927
181 HH TYR 24 HH TYR 24 7.311 -0.956 13.058
182 H ASP 25 H ASP 25 3.886 -1.287 6.383
183 HA ASP 25 HA ASP 25 4.662 1.123 7.747
184 HB2 ASP 25 1HB ASP 25 4.816 0.200 4.884
185 HB3 ASP 25 2HB ASP 25 5.252 1.842 5.349
186 H CYS 26 H CYS 26 1.980 0.063 5.807
187 HA CYS 26 HA CYS 26 0.995 2.659 5.149
188 HB2 CYS 26 1HB CYS 26 -0.184 -0.109 5.075
189 HB3 CYS 26 2HB CYS 26 -1.166 1.309 4.719
190 H LYS 27 H LYS 27 0.548 0.442 7.816
191 HA LYS 27 HA LYS 27 -1.610 2.013 8.957
192 HB2 LYS 27 1HB LYS 27 -0.169 -0.477 9.864
193 HB3 LYS 27 2HB LYS 27 -1.382 0.331 10.849
194 HG2 LYS 27 1HG LYS 27 -2.832 0.086 8.664
195 HG3 LYS 27 2HG LYS 27 -1.702 -1.232 8.343
196 HD2 LYS 27 1HD LYS 27 -3.591 -2.145 9.492
197 HD3 LYS 27 2HD LYS 27 -2.230 -2.131 10.616
198 HE2 LYS 27 1HE LYS 27 -3.469 0.338 10.962
199 HE3 LYS 27 2HE LYS 27 -4.797 -0.811 10.802
200 HZ1 LYS 27 3HZ LYS 27 -4.444 -1.192 12.957
201 HZ2 LYS 27 1HZ LYS 27 -2.913 -0.473 12.949
202 HZ3 LYS 27 2HZ LYS 27 -3.093 -2.085 12.468
203 H LEU 28 H LEU 28 1.737 2.128 8.932
204 HA LEU 28 HA LEU 28 2.123 3.072 11.625
205 HB2 LEU 28 1HB LEU 28 3.786 1.921 9.911
206 HB3 LEU 28 2HB LEU 28 4.115 3.598 9.484
207 HG LEU 28 HG LEU 28 5.764 2.860 11.058
208 HD11 LEU 28 1HD1 LEU 28 5.522 4.520 12.773
209 HD12 LEU 28 2HD1 LEU 28 3.777 4.587 12.524
210 HD13 LEU 28 3HD1 LEU 28 4.869 5.167 11.266
211 HD21 LEU 28 3HD2 LEU 28 5.252 1.964 13.216
212 HD22 LEU 28 1HD2 LEU 28 4.385 1.013 12.010
213 HD23 LEU 28 2HD2 LEU 28 3.523 2.218 12.969
214 H ASP 29 H ASP 29 2.600 4.617 8.443
215 HA ASP 29 HA ASP 29 2.264 7.233 9.699
216 HB2 ASP 29 1HB ASP 29 3.444 6.248 7.147
217 HB3 ASP 29 2HB ASP 29 2.786 7.882 7.166
218 H LYS 30 H LYS 30 0.970 5.426 6.916
219 HA LYS 30 HA LYS 30 -1.118 7.300 6.415
220 HB2 LYS 30 1HB LYS 30 -0.275 4.676 5.350
221 HB3 LYS 30 2HB LYS 30 -1.991 5.034 5.202
222 HG2 LYS 30 1HG LYS 30 0.088 6.995 4.304
223 HG3 LYS 30 2HG LYS 30 -0.445 5.671 3.264
224 HD2 LYS 30 1HD LYS 30 -2.603 7.225 4.524
225 HD3 LYS 30 2HD LYS 30 -1.619 8.113 3.359
226 HE2 LYS 30 1HE LYS 30 -3.090 7.235 1.885
227 HE3 LYS 30 2HE LYS 30 -2.013 5.843 1.981
228 HZ1 LYS 30 3HZ LYS 30 -4.442 6.191 3.651
229 HZ2 LYS 30 1HZ LYS 30 -3.458 4.817 3.564
230 HZ3 LYS 30 2HZ LYS 30 -4.388 5.278 2.228
231 H HIS 31 H HIS 31 -0.695 4.940 8.774
232 HA HIS 31 HA HIS 31 -2.069 3.908 10.275
233 HB2 HIS 31 1HB HIS 31 -3.429 6.540 9.772
234 HB3 HIS 31 2HB HIS 31 -4.115 5.375 10.900
235 HD1 HIS 31 HD1 HIS 31 -1.762 8.105 10.723
236 HD2 HIS 31 HD2 HIS 31 -2.191 4.688 13.046
237 HE1 HIS 31 HE1 HIS 31 -0.341 8.495 12.762
238 H ALA 32 H ALA 32 -2.457 3.209 7.481
239 HA ALA 32 HA ALA 32 -5.171 3.012 6.787
240 HB1 ALA 32 3HB ALA 32 -2.795 2.362 5.584
241 HB2 ALA 32 1HB ALA 32 -3.527 0.782 5.871
242 HB3 ALA 32 2HB ALA 32 -4.400 2.005 4.946
243 H ARG 33 H ARG 33 -5.565 0.292 6.249
244 HA ARG 33 HA ARG 33 -5.647 -0.953 8.907
245 HB2 ARG 33 1HB ARG 33 -7.832 0.187 8.295
246 HB3 ARG 33 2HB ARG 33 -7.989 -1.003 7.009
247 HG2 ARG 33 1HG ARG 33 -7.597 -2.680 9.021
248 HG3 ARG 33 2HG ARG 33 -8.254 -1.326 9.942
249 HD2 ARG 33 1HD ARG 33 -10.220 -2.318 9.418
250 HD3 ARG 33 2HD ARG 33 -10.023 -1.386 7.935
251 HE ARG 33 HE ARG 33 -8.768 -3.729 7.390
252 HH11 ARG 33 1HH1 ARG 33 -11.941 -2.902 8.559
253 HH12 ARG 33 2HH1 ARG 33 -12.706 -4.282 7.846
254 HH21 ARG 33 1HH2 ARG 33 -9.764 -5.551 6.447
255 HH22 ARG 33 2HH2 ARG 33 -11.467 -5.790 6.645
256 H SER 34 H SER 34 -5.870 -1.332 5.412
257 HA SER 34 HA SER 34 -4.840 -4.067 5.715
258 HB2 SER 34 1HB SER 34 -7.386 -3.806 5.099
259 HB3 SER 34 2HB SER 34 -6.752 -3.451 3.492
260 HG SER 34 HG SER 34 -7.230 -5.725 3.979
261 H GLY 35 H GLY 35 -3.289 -1.796 5.245
262 HA2 GLY 35 1HA GLY 35 -2.768 -1.025 2.666
263 HA3 GLY 35 2HA GLY 35 -1.523 -1.203 3.895
264 H GLU 36 H GLU 36 -2.366 -2.111 0.867
265 HA GLU 36 HA GLU 36 -0.473 -4.315 0.902
266 HB2 GLU 36 1HB GLU 36 -2.975 -5.096 1.208
267 HB3 GLU 36 2HB GLU 36 -3.046 -4.828 -0.527
268 HG2 GLU 36 1HG GLU 36 -1.553 -6.522 -0.988
269 HG3 GLU 36 2HG GLU 36 -0.851 -6.482 0.628
270 H CYS 37 H CYS 37 0.065 -5.041 -1.337
271 HA CYS 37 HA CYS 37 0.017 -2.725 -3.142
272 HB2 CYS 37 1HB CYS 37 2.030 -3.554 -4.113
273 HB3 CYS 37 2HB CYS 37 2.227 -3.680 -2.367
274 H PHE 38 H PHE 38 -0.374 -3.009 -5.377
275 HA PHE 38 HA PHE 38 -1.198 -5.525 -6.450
276 HB2 PHE 38 1HB PHE 38 -3.164 -4.518 -4.988
277 HB3 PHE 38 2HB PHE 38 -3.432 -3.543 -6.429
278 HD1 PHE 38 HD2 PHE 38 -2.587 -7.121 -5.766
279 HD2 PHE 38 HD1 PHE 38 -5.133 -4.336 -7.735
280 HE1 PHE 38 HE2 PHE 38 -3.829 -8.983 -6.788
281 HE2 PHE 38 HE1 PHE 38 -6.380 -6.193 -8.758
282 HZ PHE 38 HZ PHE 38 -5.728 -8.520 -8.285
283 H TYR 39 H TYR 39 -2.269 -5.146 -8.685
284 HA TYR 39 HA TYR 39 -0.491 -3.531 -10.199
285 HB2 TYR 39 1HB TYR 39 -2.986 -5.057 -10.944
286 HB3 TYR 39 2HB TYR 39 -2.012 -4.183 -12.121
287 HD1 TYR 39 HD2 TYR 39 -1.753 -6.837 -9.517
288 HD2 TYR 39 HD1 TYR 39 -0.221 -5.250 -13.155
289 HE1 TYR 39 HE2 TYR 39 -0.288 -8.800 -9.749
290 HE2 TYR 39 HE1 TYR 39 1.248 -7.208 -13.397
291 HH TYR 39 HH TYR 39 1.091 -9.754 -12.459
292 H ASP 40 H ASP 40 -0.795 -1.601 -11.225
293 HA ASP 40 HA ASP 40 -3.148 -0.061 -10.378
294 HB2 ASP 40 1HB ASP 40 -0.321 0.652 -11.007
295 HB3 ASP 40 2HB ASP 40 -1.567 1.856 -11.323
296 H GLU 41 H GLU 41 -3.788 1.700 -11.996
297 HA GLU 41 HA GLU 41 -4.783 0.498 -14.309
298 HB2 GLU 41 1HB GLU 41 -4.326 3.463 -14.062
299 HB3 GLU 41 2HB GLU 41 -5.616 2.624 -14.914
300 HG2 GLU 41 1HG GLU 41 -5.263 2.931 -11.949
301 HG3 GLU 41 2HG GLU 41 -6.559 3.567 -12.960
302 H LYS 42 H LYS 42 -1.711 1.901 -13.667
303 HA LYS 42 HA LYS 42 -1.055 2.216 -16.487
304 HB2 LYS 42 1HB LYS 42 0.542 2.726 -13.973
305 HB3 LYS 42 2HB LYS 42 1.156 2.990 -15.600
306 HG2 LYS 42 1HG LYS 42 -0.647 4.624 -15.985
307 HG3 LYS 42 2HG LYS 42 -1.177 4.396 -14.317
308 HD2 LYS 42 1HD LYS 42 0.159 6.278 -14.149
309 HD3 LYS 42 2HD LYS 42 1.288 4.987 -13.733
310 HE2 LYS 42 1HE LYS 42 2.353 5.090 -15.806
311 HE3 LYS 42 2HE LYS 42 1.006 5.943 -16.560
312 HZ1 LYS 42 3HZ LYS 42 1.609 7.777 -14.864
313 HZ2 LYS 42 1HZ LYS 42 2.543 7.607 -16.264
314 HZ3 LYS 42 2HZ LYS 42 3.108 6.996 -14.791
315 H ARG 43 H ARG 43 -1.499 -0.408 -14.893
316 HA ARG 43 HA ARG 43 -0.697 -2.537 -14.933
317 HB2 ARG 43 1HB ARG 43 0.630 -1.326 -17.338
318 HB3 ARG 43 2HB ARG 43 0.997 -2.978 -16.858
319 HG2 ARG 43 1HG ARG 43 -0.688 -3.358 -18.339
320 HG3 ARG 43 2HG ARG 43 -1.624 -3.204 -16.851
321 HD2 ARG 43 1HD ARG 43 -2.689 -1.908 -18.568
322 HD3 ARG 43 2HD ARG 43 -1.978 -0.806 -17.388
323 HE ARG 43 HE ARG 43 -0.601 -0.005 -19.028
324 HH11 ARG 43 1HH1 ARG 43 -1.941 -3.047 -20.060
325 HH12 ARG 43 2HH1 ARG 43 -1.304 -2.931 -21.668
326 HH21 ARG 43 1HH2 ARG 43 0.243 0.160 -21.141
327 HH22 ARG 43 2HH2 ARG 43 -0.061 -1.107 -22.280
328 H ASN 44 H ASN 44 0.501 -0.820 -13.088
329 HA ASN 44 HA ASN 44 3.217 -1.949 -12.969
330 HB2 ASN 44 1HB ASN 44 2.717 0.717 -13.334
331 HB3 ASN 44 2HB ASN 44 2.845 0.618 -11.580
332 HD21 ASN 44 2HD2 ASN 44 4.633 2.004 -13.237
333 HD22 ASN 44 1HD2 ASN 44 6.181 1.244 -13.115
334 H LEU 45 H LEU 45 3.984 -2.508 -10.913
335 HA LEU 45 HA LEU 45 1.874 -3.054 -8.982
336 HB2 LEU 45 1HB LEU 45 4.739 -3.858 -8.663
337 HB3 LEU 45 2HB LEU 45 3.289 -4.645 -8.041
338 HG LEU 45 HG LEU 45 4.034 -4.581 -10.962
339 HD11 LEU 45 1HD1 LEU 45 5.754 -5.755 -9.679
340 HD12 LEU 45 2HD1 LEU 45 4.814 -6.866 -10.674
341 HD13 LEU 45 3HD1 LEU 45 4.512 -6.766 -8.939
342 HD21 LEU 45 3HD2 LEU 45 1.749 -5.521 -9.430
343 HD22 LEU 45 1HD2 LEU 45 2.469 -6.786 -10.426
344 HD23 LEU 45 2HD2 LEU 45 1.927 -5.281 -11.169
345 H GLN 46 H GLN 46 1.540 -1.851 -7.239
346 HA GLN 46 HA GLN 46 3.769 -0.424 -6.006
347 HB2 GLN 46 1HB GLN 46 1.176 0.951 -6.721
348 HB3 GLN 46 2HB GLN 46 2.555 1.676 -5.903
349 HG2 GLN 46 1HG GLN 46 2.613 0.586 -8.707
350 HG3 GLN 46 2HG GLN 46 2.378 2.283 -8.291
351 HE21 GLN 46 2HE2 GLN 46 4.353 2.128 -9.834
352 HE22 GLN 46 1HE2 GLN 46 5.890 2.103 -9.045
353 H CYS 47 H CYS 47 3.210 0.433 -3.850
354 HA CYS 47 HA CYS 47 1.427 -1.434 -2.484
355 HB2 CYS 47 1HB CYS 47 3.796 -1.076 -1.712
356 HB3 CYS 47 2HB CYS 47 3.337 0.562 -1.258
357 H ILE 48 H ILE 48 -0.616 -0.804 -2.278
358 HA ILE 48 HA ILE 48 -1.213 2.046 -1.927
359 HB ILE 48 HB ILE 48 -3.155 -0.199 -2.472
360 HG12 ILE 48 1HG1 ILE 48 -3.086 1.226 -4.772
361 HG13 ILE 48 2HG1 ILE 48 -1.411 1.392 -4.259
362 HG21 ILE 48 1HG2 ILE 48 -3.444 2.796 -2.669
363 HG22 ILE 48 2HG2 ILE 48 -4.672 1.614 -3.118
364 HG23 ILE 48 3HG2 ILE 48 -4.161 1.759 -1.436
365 HD11 ILE 48 3HD1 ILE 48 -2.718 -0.827 -5.495
366 HD12 ILE 48 1HD1 ILE 48 -1.006 -0.587 -5.150
367 HD13 ILE 48 2HD1 ILE 48 -2.058 -1.313 -3.934
368 H CYS 49 H CYS 49 -2.365 2.825 -0.191
369 HA CYS 49 HA CYS 49 -2.761 0.936 2.038
370 HB2 CYS 49 1HB CYS 49 -2.185 3.884 2.335
371 HB3 CYS 49 2HB CYS 49 -2.139 2.643 3.583
372 H ASP 50 H ASP 50 -4.740 0.798 2.884
373 HA ASP 50 HA ASP 50 -6.727 2.816 2.072
374 HB2 ASP 50 1HB ASP 50 -7.072 -0.132 2.643
375 HB3 ASP 50 2HB ASP 50 -8.414 0.984 2.409
376 H TYR 51 H TYR 51 -7.471 4.059 3.648
377 HA TYR 51 HA TYR 51 -7.337 3.053 6.414
378 HB2 TYR 51 1HB TYR 51 -5.869 4.955 6.090
379 HB3 TYR 51 2HB TYR 51 -7.179 5.891 5.378
380 HD1 TYR 51 HD2 TYR 51 -7.262 3.755 8.423
381 HD2 TYR 51 HD1 TYR 51 -7.408 7.702 6.840
382 HE1 TYR 51 HE2 TYR 51 -7.850 4.620 10.649
383 HE2 TYR 51 HE1 TYR 51 -7.995 8.578 9.062
384 HH TYR 51 HH TYR 51 -7.801 6.651 11.905
385 H CYS 52 H CYS 52 -9.224 2.625 7.325
386 HA CYS 52 HA CYS 52 -11.575 4.208 6.534
387 HB2 CYS 52 1HB CYS 52 -11.399 1.764 5.621
388 HB3 CYS 52 2HB CYS 52 -11.842 1.311 7.263
389 H GLU 53 H GLU 53 -12.890 4.869 8.159
390 HA GLU 53 HA GLU 53 -12.239 3.936 10.877
391 HB2 GLU 53 1HB GLU 53 -11.369 6.180 10.588
392 HB3 GLU 53 2HB GLU 53 -12.918 6.738 9.972
393 HG2 GLU 53 1HG GLU 53 -13.914 6.693 12.055
394 HG3 GLU 53 2HG GLU 53 -12.734 5.558 12.707
395 H TYR 54 H TYR 54 -13.907 2.600 11.304
396 HA TYR 54 HA TYR 54 -16.516 2.806 10.364
397 HB2 TYR 54 1HB TYR 54 -17.118 1.271 12.201
398 HB3 TYR 54 2HB TYR 54 -15.652 0.761 11.371
399 HD1 TYR 54 HD1 TYR 54 -16.977 2.277 14.461
400 HD2 TYR 54 HD2 TYR 54 -13.558 0.655 12.517
401 HE1 TYR 54 HE1 TYR 54 -15.791 2.211 16.615
402 HE2 TYR 54 HE2 TYR 54 -12.362 0.584 14.665
403 HH TYR 54 HH TYR 54 -13.930 1.026 17.655
Start of MODEL 20
1 H1 ASP 2 H ASP 2 -18.373 4.903 4.032
2 HA ASP 2 HA ASP 2 -16.897 4.265 1.571
3 HB2 ASP 2 1HB ASP 2 -17.820 6.898 2.727
4 HB3 ASP 2 2HB ASP 2 -16.719 6.781 1.356
5 H CYS 3 H CYS 3 -14.748 4.152 1.600
6 HA CYS 3 HA CYS 3 -13.336 5.209 3.962
7 HB2 CYS 3 1HB CYS 3 -12.350 2.912 2.281
8 HB3 CYS 3 2HB CYS 3 -11.838 3.382 3.899
9 H LYS 4 H LYS 4 -10.899 5.477 3.450
10 HA LYS 4 HA LYS 4 -10.639 6.786 0.822
11 HB2 LYS 4 1HB LYS 4 -10.614 8.581 2.302
12 HB3 LYS 4 2HB LYS 4 -9.779 7.669 3.553
13 HG2 LYS 4 1HG LYS 4 -8.356 9.393 2.567
14 HG3 LYS 4 2HG LYS 4 -7.713 7.773 2.292
15 HD2 LYS 4 1HD LYS 4 -7.697 8.145 0.102
16 HD3 LYS 4 2HD LYS 4 -9.440 8.420 0.128
17 HE2 LYS 4 1HE LYS 4 -9.201 10.719 0.340
18 HE3 LYS 4 2HE LYS 4 -7.555 10.590 0.960
19 HZ1 LYS 4 3HZ LYS 4 -7.028 11.169 -1.130
20 HZ2 LYS 4 1HZ LYS 4 -8.501 10.649 -1.779
21 HZ3 LYS 4 2HZ LYS 4 -7.272 9.529 -1.469
22 H ARG 5 H ARG 5 -9.141 5.930 -0.450
23 HA ARG 5 HA ARG 5 -6.855 4.552 0.796
24 HB2 ARG 5 1HB ARG 5 -6.895 2.987 -1.150
25 HB3 ARG 5 2HB ARG 5 -8.297 2.853 -0.099
26 HG2 ARG 5 1HG ARG 5 -9.267 2.787 -2.175
27 HG3 ARG 5 2HG ARG 5 -9.382 4.506 -1.792
28 HD2 ARG 5 1HD ARG 5 -7.752 5.090 -3.299
29 HD3 ARG 5 2HD ARG 5 -6.962 3.516 -3.215
30 HE ARG 5 HE ARG 5 -9.367 2.988 -4.373
31 HH11 ARG 5 1HH1 ARG 5 -6.753 5.181 -5.066
32 HH12 ARG 5 2HH1 ARG 5 -7.026 5.172 -6.776
33 HH21 ARG 5 1HH2 ARG 5 -9.736 2.969 -6.624
34 HH22 ARG 5 2HH2 ARG 5 -8.723 3.914 -7.662
35 H LYS 6 H LYS 6 -4.944 4.393 -0.628
36 HA LYS 6 HA LYS 6 -4.730 6.111 -2.904
37 HB2 LYS 6 1HB LYS 6 -4.686 7.805 -1.133
38 HB3 LYS 6 2HB LYS 6 -3.363 6.958 -0.342
39 HG2 LYS 6 1HG LYS 6 -1.834 7.552 -1.991
40 HG3 LYS 6 2HG LYS 6 -3.099 7.938 -3.159
41 HD2 LYS 6 1HD LYS 6 -3.741 9.884 -1.841
42 HD3 LYS 6 2HD LYS 6 -2.518 9.486 -0.633
43 HE2 LYS 6 1HE LYS 6 -1.530 11.149 -1.956
44 HE3 LYS 6 2HE LYS 6 -0.831 9.640 -2.541
45 HZ1 LYS 6 3HZ LYS 6 -1.814 9.862 -4.530
46 HZ2 LYS 6 1HZ LYS 6 -1.917 11.500 -4.120
47 HZ3 LYS 6 2HZ LYS 6 -3.250 10.486 -3.890
48 H VAL 7 H VAL 7 -2.693 5.944 -3.959
49 HA VAL 7 HA VAL 7 -1.176 3.573 -3.121
50 HB VAL 7 HB VAL 7 -2.095 3.392 -5.349
51 HG11 VAL 7 1HG1 VAL 7 -0.618 5.957 -5.926
52 HG12 VAL 7 2HG1 VAL 7 -1.401 4.945 -7.142
53 HG13 VAL 7 3HG1 VAL 7 -2.366 5.729 -5.891
54 HG21 VAL 7 3HG2 VAL 7 -0.078 2.900 -6.593
55 HG22 VAL 7 1HG2 VAL 7 0.869 3.924 -5.513
56 HG23 VAL 7 2HG2 VAL 7 0.139 2.438 -4.905
57 H TYR 8 H TYR 8 1.001 3.628 -2.791
58 HA TYR 8 HA TYR 8 2.202 6.290 -2.592
59 HB2 TYR 8 1HB TYR 8 2.249 4.031 -0.922
60 HB3 TYR 8 2HB TYR 8 3.872 4.157 -1.591
61 HD1 TYR 8 HD2 TYR 8 4.336 7.005 -1.784
62 HD2 TYR 8 HD1 TYR 8 2.320 4.812 1.255
63 HE1 TYR 8 HE2 TYR 8 4.872 8.773 -0.161
64 HE2 TYR 8 HE1 TYR 8 2.849 6.576 2.886
65 HH TYR 8 HH TYR 8 5.101 9.050 2.251
66 H GLU 9 H GLU 9 3.676 6.974 -3.993
67 HA GLU 9 HA GLU 9 4.661 5.132 -6.020
68 HB2 GLU 9 1HB GLU 9 5.505 7.172 -7.132
69 HB3 GLU 9 2HB GLU 9 3.782 7.252 -6.794
70 HG2 GLU 9 1HG GLU 9 5.593 8.386 -4.754
71 HG3 GLU 9 2HG GLU 9 5.464 9.254 -6.283
72 H ASN 10 H ASN 10 5.712 6.536 -3.106
73 HA ASN 10 HA ASN 10 8.542 6.311 -3.766
74 HB2 ASN 10 1HB ASN 10 7.307 8.127 -2.251
75 HB3 ASN 10 2HB ASN 10 7.626 6.930 -0.999
76 HD21 ASN 10 2HD2 ASN 10 8.741 9.681 -2.014
77 HD22 ASN 10 1HD2 ASN 10 10.446 9.467 -1.833
78 H TYR 11 H TYR 11 6.471 4.046 -3.334
79 HA TYR 11 HA TYR 11 7.833 2.586 -1.192
80 HB2 TYR 11 1HB TYR 11 5.283 2.743 -1.359
81 HB3 TYR 11 2HB TYR 11 5.417 1.646 -2.728
82 HD1 TYR 11 HD1 TYR 11 6.498 -0.625 -2.344
83 HD2 TYR 11 HD2 TYR 11 5.284 1.923 0.840
84 HE1 TYR 11 HE1 TYR 11 6.516 -2.546 -0.808
85 HE2 TYR 11 HE2 TYR 11 5.300 0.009 2.385
86 HH TYR 11 HH TYR 11 5.175 -3.032 1.545
87 HA PRO 12 HA PRO 12 10.215 0.302 -4.129
88 HB2 PRO 12 1HB PRO 12 11.003 -1.701 -2.476
89 HB3 PRO 12 2HB PRO 12 11.684 -0.071 -2.403
90 HG2 PRO 12 1HG PRO 12 9.563 -1.317 -0.695
91 HG3 PRO 12 2HG PRO 12 10.930 -0.294 -0.214
92 HD2 PRO 12 1HD PRO 12 8.411 0.665 -0.468
93 HD3 PRO 12 2HD PRO 12 9.847 1.651 -0.811
94 H VAL 13 H VAL 13 9.512 -1.032 -5.665
95 HA VAL 13 HA VAL 13 7.162 -2.587 -5.399
96 HB VAL 13 HB VAL 13 9.293 -2.750 -7.535
97 HG11 VAL 13 1HG1 VAL 13 6.607 -3.990 -7.219
98 HG12 VAL 13 2HG1 VAL 13 7.122 -3.491 -8.831
99 HG13 VAL 13 3HG1 VAL 13 8.083 -4.654 -7.917
100 HG21 VAL 13 3HG2 VAL 13 7.051 -1.448 -8.538
101 HG22 VAL 13 1HG2 VAL 13 7.291 -0.754 -6.934
102 HG23 VAL 13 2HG2 VAL 13 8.599 -0.715 -8.117
103 H SER 14 H SER 14 10.552 -3.285 -4.989
104 HA SER 14 HA SER 14 10.423 -6.099 -5.174
105 HB2 SER 14 1HB SER 14 12.370 -4.657 -3.389
106 HB3 SER 14 2HB SER 14 12.621 -6.116 -4.346
107 HG SER 14 HG SER 14 13.050 -3.565 -5.035
108 H LYS 15 H LYS 15 10.347 -3.931 -2.353
109 HA LYS 15 HA LYS 15 9.848 -6.075 -0.515
110 HB2 LYS 15 1HB LYS 15 10.248 -3.166 -0.374
111 HB3 LYS 15 2HB LYS 15 9.137 -3.801 0.832
112 HG2 LYS 15 1HG LYS 15 11.450 -3.678 1.644
113 HG3 LYS 15 2HG LYS 15 10.821 -5.327 1.641
114 HD2 LYS 15 1HD LYS 15 12.043 -5.866 -0.339
115 HD3 LYS 15 2HD LYS 15 12.505 -4.179 -0.579
116 HE2 LYS 15 1HE LYS 15 13.637 -4.375 1.718
117 HE3 LYS 15 2HE LYS 15 13.463 -6.117 1.505
118 HZ1 LYS 15 3HZ LYS 15 14.700 -5.914 -0.588
119 HZ2 LYS 15 1HZ LYS 15 15.614 -5.406 0.742
120 HZ3 LYS 15 2HZ LYS 15 14.924 -4.264 -0.297
121 H CYS 16 H CYS 16 7.931 -4.465 -2.726
122 HA CYS 16 HA CYS 16 5.504 -4.190 -1.306
123 HB2 CYS 16 1HB CYS 16 6.414 -3.674 -3.909
124 HB3 CYS 16 2HB CYS 16 5.087 -4.816 -4.098
125 H GLN 17 H GLN 17 7.050 -6.891 -2.878
126 HA GLN 17 HA GLN 17 4.892 -8.614 -3.204
127 HB2 GLN 17 1HB GLN 17 6.472 -10.386 -3.326
128 HB3 GLN 17 2HB GLN 17 7.261 -8.966 -3.999
129 HG2 GLN 17 1HG GLN 17 8.292 -8.625 -1.714
130 HG3 GLN 17 2HG GLN 17 7.710 -10.243 -1.322
131 HE21 GLN 17 2HE2 GLN 17 9.296 -8.714 -4.108
132 HE22 GLN 17 1HE2 GLN 17 10.542 -9.900 -4.266
133 H LEU 18 H LEU 18 6.522 -7.600 -0.327
134 HA LEU 18 HA LEU 18 5.673 -9.751 1.341
135 HB2 LEU 18 1HB LEU 18 6.875 -7.060 1.776
136 HB3 LEU 18 2HB LEU 18 6.150 -7.899 3.145
137 HG LEU 18 HG LEU 18 8.683 -8.119 2.764
138 HD11 LEU 18 1HD1 LEU 18 7.858 -9.473 4.426
139 HD12 LEU 18 2HD1 LEU 18 8.466 -10.669 3.281
140 HD13 LEU 18 3HD1 LEU 18 6.741 -10.307 3.343
141 HD21 LEU 18 3HD2 LEU 18 7.718 -10.138 0.742
142 HD22 LEU 18 1HD2 LEU 18 9.386 -9.845 1.237
143 HD23 LEU 18 2HD2 LEU 18 8.500 -8.606 0.345
144 H ALA 19 H ALA 19 3.913 -9.929 2.655
145 HA ALA 19 HA ALA 19 1.692 -8.133 2.079
146 HB1 ALA 19 3HB ALA 19 1.751 -10.805 2.250
147 HB2 ALA 19 1HB ALA 19 1.311 -10.417 3.914
148 HB3 ALA 19 2HB ALA 19 0.306 -9.850 2.580
149 H ASN 20 H ASN 20 3.831 -9.002 4.694
150 HA ASN 20 HA ASN 20 2.272 -7.510 6.646
151 HB2 ASN 20 1HB ASN 20 4.763 -9.193 6.805
152 HB3 ASN 20 2HB ASN 20 4.262 -8.171 8.149
153 HD21 ASN 20 2HD2 ASN 20 2.141 -8.545 9.056
154 HD22 ASN 20 1HD2 ASN 20 1.476 -10.140 9.025
155 H GLN 21 H GLN 21 4.734 -6.932 4.401
156 HA GLN 21 HA GLN 21 6.043 -4.819 5.867
157 HB2 GLN 21 1HB GLN 21 7.275 -6.190 4.229
158 HB3 GLN 21 2HB GLN 21 6.240 -5.575 2.947
159 HG2 GLN 21 1HG GLN 21 8.150 -4.290 2.751
160 HG3 GLN 21 2HG GLN 21 7.065 -3.256 3.680
161 HE21 GLN 21 2HE2 GLN 21 9.320 -5.906 4.398
162 HE22 GLN 21 1HE2 GLN 21 10.143 -5.086 5.678
163 H CYS 22 H CYS 22 3.723 -5.075 3.210
164 HA CYS 22 HA CYS 22 3.550 -2.314 2.654
165 HB2 CYS 22 1HB CYS 22 2.279 -4.731 1.767
166 HB3 CYS 22 2HB CYS 22 1.049 -3.510 2.077
167 H ASN 23 H ASN 23 1.162 -4.378 4.324
168 HA ASN 23 HA ASN 23 -0.475 -2.371 5.277
169 HB2 ASN 23 1HB ASN 23 -1.479 -3.979 6.604
170 HB3 ASN 23 2HB ASN 23 -0.663 -4.987 5.413
171 HD21 ASN 23 2HD2 ASN 23 -1.298 -4.717 8.577
172 HD22 ASN 23 1HD2 ASN 23 0.064 -5.550 9.239
173 H TYR 24 H TYR 24 2.599 -3.484 6.508
174 HA TYR 24 HA TYR 24 2.438 -2.224 9.047
175 HB2 TYR 24 1HB TYR 24 4.019 -3.995 8.772
176 HB3 TYR 24 2HB TYR 24 4.776 -3.192 7.400
177 HD1 TYR 24 HD1 TYR 24 3.901 -2.143 10.886
178 HD2 TYR 24 HD2 TYR 24 6.910 -2.489 7.897
179 HE1 TYR 24 HE1 TYR 24 5.523 -1.090 12.406
180 HE2 TYR 24 HE2 TYR 24 8.541 -1.439 9.409
181 HH TYR 24 HH TYR 24 8.525 -1.293 12.318
182 H ASP 25 H ASP 25 4.039 -1.298 6.006
183 HA ASP 25 HA ASP 25 4.950 1.213 6.958
184 HB2 ASP 25 1HB ASP 25 5.736 -0.164 4.900
185 HB3 ASP 25 2HB ASP 25 4.419 0.645 4.057
186 H CYS 26 H CYS 26 1.958 0.107 5.579
187 HA CYS 26 HA CYS 26 0.970 2.735 4.952
188 HB2 CYS 26 1HB CYS 26 -0.238 -0.019 4.982
189 HB3 CYS 26 2HB CYS 26 -1.248 1.407 4.771
190 H LYS 27 H LYS 27 0.164 0.285 7.410
191 HA LYS 27 HA LYS 27 -1.619 1.965 8.839
192 HB2 LYS 27 1HB LYS 27 -0.128 -0.503 9.753
193 HB3 LYS 27 2HB LYS 27 -1.463 0.252 10.614
194 HG2 LYS 27 1HG LYS 27 -3.031 -0.468 9.099
195 HG3 LYS 27 2HG LYS 27 -1.856 -0.610 7.789
196 HD2 LYS 27 1HD LYS 27 -2.299 -2.824 8.335
197 HD3 LYS 27 2HD LYS 27 -0.820 -2.485 9.236
198 HE2 LYS 27 1HE LYS 27 -2.537 -1.795 11.116
199 HE3 LYS 27 2HE LYS 27 -3.604 -2.873 10.217
200 HZ1 LYS 27 3HZ LYS 27 -1.910 -3.679 12.123
201 HZ2 LYS 27 1HZ LYS 27 -0.962 -3.927 10.744
202 HZ3 LYS 27 2HZ LYS 27 -2.472 -4.675 10.876
203 H LEU 28 H LEU 28 1.735 1.962 8.593
204 HA LEU 28 HA LEU 28 2.324 2.867 11.261
205 HB2 LEU 28 1HB LEU 28 4.041 1.685 10.129
206 HB3 LEU 28 2HB LEU 28 3.924 2.734 8.718
207 HG LEU 28 HG LEU 28 4.684 4.052 11.248
208 HD11 LEU 28 1HD1 LEU 28 6.064 2.242 11.663
209 HD12 LEU 28 2HD1 LEU 28 7.106 3.310 10.722
210 HD13 LEU 28 3HD1 LEU 28 6.336 1.925 9.948
211 HD21 LEU 28 3HD2 LEU 28 4.926 4.429 8.391
212 HD22 LEU 28 1HD2 LEU 28 6.476 4.634 9.208
213 HD23 LEU 28 2HD2 LEU 28 5.085 5.600 9.701
214 H ASP 29 H ASP 29 2.658 4.440 8.073
215 HA ASP 29 HA ASP 29 2.478 7.048 9.379
216 HB2 ASP 29 1HB ASP 29 3.484 6.059 6.757
217 HB3 ASP 29 2HB ASP 29 2.867 7.708 6.820
218 H LYS 30 H LYS 30 0.961 5.310 6.665
219 HA LYS 30 HA LYS 30 -1.083 7.255 6.285
220 HB2 LYS 30 1HB LYS 30 -0.394 4.609 5.182
221 HB3 LYS 30 2HB LYS 30 -2.108 4.997 5.160
222 HG2 LYS 30 1HG LYS 30 -0.108 6.957 4.119
223 HG3 LYS 30 2HG LYS 30 -0.640 5.601 3.122
224 HD2 LYS 30 1HD LYS 30 -2.995 6.632 4.146
225 HD3 LYS 30 2HD LYS 30 -2.022 8.066 3.807
226 HE2 LYS 30 1HE LYS 30 -2.796 5.871 1.894
227 HE3 LYS 30 2HE LYS 30 -3.292 7.562 1.848
228 HZ1 LYS 30 3HZ LYS 30 -1.577 7.893 0.504
229 HZ2 LYS 30 1HZ LYS 30 -0.954 6.345 0.780
230 HZ3 LYS 30 2HZ LYS 30 -0.549 7.616 1.817
231 H HIS 31 H HIS 31 -0.599 4.965 8.675
232 HA HIS 31 HA HIS 31 -1.906 4.024 10.289
233 HB2 HIS 31 1HB HIS 31 -3.347 6.605 9.710
234 HB3 HIS 31 2HB HIS 31 -3.891 5.507 10.974
235 HD1 HIS 31 HD1 HIS 31 -1.882 4.914 12.789
236 HD2 HIS 31 HD2 HIS 31 -1.542 8.417 10.581
237 HE1 HIS 31 HE1 HIS 31 -0.249 6.351 14.053
238 H ALA 32 H ALA 32 -2.451 3.302 7.476
239 HA ALA 32 HA ALA 32 -5.198 3.025 6.988
240 HB1 ALA 32 3HB ALA 32 -2.890 2.415 5.627
241 HB2 ALA 32 1HB ALA 32 -3.588 0.829 5.955
242 HB3 ALA 32 2HB ALA 32 -4.532 2.047 5.095
243 H ARG 33 H ARG 33 -5.590 0.307 6.494
244 HA ARG 33 HA ARG 33 -5.422 -0.939 9.149
245 HB2 ARG 33 1HB ARG 33 -7.919 -1.084 7.471
246 HB3 ARG 33 2HB ARG 33 -7.710 -1.549 9.154
247 HG2 ARG 33 1HG ARG 33 -7.549 1.275 8.125
248 HG3 ARG 33 2HG ARG 33 -8.977 0.546 8.864
249 HD2 ARG 33 1HD ARG 33 -6.430 0.382 10.371
250 HD3 ARG 33 2HD ARG 33 -7.195 1.966 10.253
251 HE ARG 33 HE ARG 33 -9.124 0.077 11.015
252 HH11 ARG 33 1HH1 ARG 33 -6.286 1.657 12.266
253 HH12 ARG 33 2HH1 ARG 33 -6.799 1.558 13.918
254 HH21 ARG 33 1HH2 ARG 33 -9.812 -0.058 13.186
255 HH22 ARG 33 2HH2 ARG 33 -8.804 0.581 14.439
256 H SER 34 H SER 34 -6.042 -1.354 5.693
257 HA SER 34 HA SER 34 -4.946 -4.078 5.909
258 HB2 SER 34 1HB SER 34 -7.450 -4.018 5.522
259 HB3 SER 34 2HB SER 34 -7.112 -3.280 3.957
260 HG SER 34 HG SER 34 -7.073 -5.855 4.602
261 H GLY 35 H GLY 35 -3.452 -1.754 5.348
262 HA2 GLY 35 1HA GLY 35 -3.090 -1.077 2.692
263 HA3 GLY 35 2HA GLY 35 -1.805 -1.086 3.892
264 H GLU 36 H GLU 36 -2.528 -2.167 0.938
265 HA GLU 36 HA GLU 36 -0.614 -4.358 1.147
266 HB2 GLU 36 1HB GLU 36 -3.135 -5.119 1.237
267 HB3 GLU 36 2HB GLU 36 -3.064 -4.843 -0.498
268 HG2 GLU 36 1HG GLU 36 -1.463 -6.513 -0.818
269 HG3 GLU 36 2HG GLU 36 -1.047 -6.563 0.895
270 H CYS 37 H CYS 37 -0.066 -5.185 -1.129
271 HA CYS 37 HA CYS 37 0.229 -2.837 -2.870
272 HB2 CYS 37 1HB CYS 37 1.844 -5.375 -2.614
273 HB3 CYS 37 2HB CYS 37 2.075 -4.220 -3.923
274 H PHE 38 H PHE 38 -0.236 -2.938 -5.060
275 HA PHE 38 HA PHE 38 -1.153 -5.348 -6.307
276 HB2 PHE 38 1HB PHE 38 -3.087 -4.265 -4.823
277 HB3 PHE 38 2HB PHE 38 -3.276 -3.261 -6.256
278 HD1 PHE 38 HD2 PHE 38 -2.638 -6.884 -5.610
279 HD2 PHE 38 HD1 PHE 38 -4.977 -3.948 -7.618
280 HE1 PHE 38 HE2 PHE 38 -3.952 -8.668 -6.681
281 HE2 PHE 38 HE1 PHE 38 -6.294 -5.727 -8.691
282 HZ PHE 38 HZ PHE 38 -5.782 -8.090 -8.225
283 H TYR 39 H TYR 39 -1.849 -4.962 -8.567
284 HA TYR 39 HA TYR 39 -0.113 -3.039 -9.800
285 HB2 TYR 39 1HB TYR 39 -0.813 -4.014 -11.895
286 HB3 TYR 39 2HB TYR 39 -0.531 -5.311 -10.738
287 HD1 TYR 39 HD2 TYR 39 -3.109 -3.424 -12.566
288 HD2 TYR 39 HD1 TYR 39 -2.325 -6.720 -9.992
289 HE1 TYR 39 HE2 TYR 39 -5.370 -4.289 -12.995
290 HE2 TYR 39 HE1 TYR 39 -4.584 -7.596 -10.417
291 HH TYR 39 HH TYR 39 -6.315 -7.358 -12.360
292 H ASP 40 H ASP 40 -0.690 -1.296 -11.111
293 HA ASP 40 HA ASP 40 -3.349 -0.187 -10.530
294 HB2 ASP 40 1HB ASP 40 -2.270 1.991 -11.273
295 HB3 ASP 40 2HB ASP 40 -1.659 1.297 -9.774
296 H GLU 41 H GLU 41 -3.797 1.593 -12.425
297 HA GLU 41 HA GLU 41 -4.620 0.063 -14.641
298 HB2 GLU 41 1HB GLU 41 -5.473 2.082 -15.548
299 HB3 GLU 41 2HB GLU 41 -5.653 2.215 -13.805
300 HG2 GLU 41 1HG GLU 41 -3.574 3.558 -13.741
301 HG3 GLU 41 2HG GLU 41 -3.531 3.506 -15.501
302 H LYS 42 H LYS 42 -1.658 1.628 -13.919
303 HA LYS 42 HA LYS 42 -0.802 1.658 -16.712
304 HB2 LYS 42 1HB LYS 42 0.566 2.604 -14.188
305 HB3 LYS 42 2HB LYS 42 1.265 2.715 -15.797
306 HG2 LYS 42 1HG LYS 42 -1.341 4.000 -15.023
307 HG3 LYS 42 2HG LYS 42 0.221 4.818 -14.948
308 HD2 LYS 42 1HD LYS 42 0.399 3.995 -17.443
309 HD3 LYS 42 2HD LYS 42 -1.362 3.949 -17.320
310 HE2 LYS 42 1HE LYS 42 0.127 6.375 -16.412
311 HE3 LYS 42 2HE LYS 42 -0.152 6.117 -18.134
312 HZ1 LYS 42 3HZ LYS 42 -1.911 7.447 -17.223
313 HZ2 LYS 42 1HZ LYS 42 -2.228 6.301 -16.020
314 HZ3 LYS 42 2HZ LYS 42 -2.539 5.931 -17.640
315 H ARG 43 H ARG 43 -1.287 -0.816 -15.067
316 HA ARG 43 HA ARG 43 -0.338 -2.853 -14.681
317 HB2 ARG 43 1HB ARG 43 1.295 -1.887 -17.027
318 HB3 ARG 43 2HB ARG 43 1.421 -3.517 -16.379
319 HG2 ARG 43 1HG ARG 43 -0.076 -3.865 -18.057
320 HG3 ARG 43 2HG ARG 43 -1.184 -3.506 -16.730
321 HD2 ARG 43 1HD ARG 43 -1.604 -1.347 -17.509
322 HD3 ARG 43 2HD ARG 43 -0.160 -1.333 -18.522
323 HE ARG 43 HE ARG 43 -1.691 -3.326 -19.571
324 HH11 ARG 43 1HH1 ARG 43 -2.212 0.044 -18.866
325 HH12 ARG 43 2HH1 ARG 43 -3.352 0.270 -20.152
326 HH21 ARG 43 1HH2 ARG 43 -3.189 -3.040 -21.267
327 HH22 ARG 43 2HH2 ARG 43 -3.907 -1.485 -21.515
328 H ASN 44 H ASN 44 0.711 -0.577 -13.174
329 HA ASN 44 HA ASN 44 3.471 -1.483 -12.697
330 HB2 ASN 44 1HB ASN 44 2.127 1.167 -12.465
331 HB3 ASN 44 2HB ASN 44 3.423 0.802 -11.330
332 HD21 ASN 44 2HD2 ASN 44 5.291 -0.437 -12.640
333 HD22 ASN 44 1HD2 ASN 44 5.859 0.462 -14.002
334 H LEU 45 H LEU 45 4.056 -2.257 -10.738
335 HA LEU 45 HA LEU 45 1.925 -2.818 -8.846
336 HB2 LEU 45 1HB LEU 45 4.790 -3.620 -8.503
337 HB3 LEU 45 2HB LEU 45 3.338 -4.417 -7.901
338 HG LEU 45 HG LEU 45 4.077 -4.309 -10.820
339 HD11 LEU 45 1HD1 LEU 45 4.894 -6.589 -10.563
340 HD12 LEU 45 2HD1 LEU 45 4.618 -6.504 -8.823
341 HD13 LEU 45 3HD1 LEU 45 5.831 -5.468 -9.575
342 HD21 LEU 45 3HD2 LEU 45 2.486 -6.537 -9.898
343 HD22 LEU 45 1HD2 LEU 45 2.159 -5.372 -11.182
344 HD23 LEU 45 2HD2 LEU 45 1.717 -4.996 -9.518
345 H GLN 46 H GLN 46 1.563 -1.681 -7.062
346 HA GLN 46 HA GLN 46 3.763 -0.244 -5.785
347 HB2 GLN 46 1HB GLN 46 1.137 1.087 -6.467
348 HB3 GLN 46 2HB GLN 46 2.489 1.821 -5.617
349 HG2 GLN 46 1HG GLN 46 3.870 1.587 -7.624
350 HG3 GLN 46 2HG GLN 46 2.499 0.877 -8.474
351 HE21 GLN 46 2HE2 GLN 46 4.094 3.724 -7.630
352 HE22 GLN 46 1HE2 GLN 46 2.918 4.850 -8.209
353 H CYS 47 H CYS 47 2.841 0.847 -3.688
354 HA CYS 47 HA CYS 47 1.258 -1.220 -2.325
355 HB2 CYS 47 1HB CYS 47 3.622 -0.622 -1.543
356 HB3 CYS 47 2HB CYS 47 2.932 0.898 -0.984
357 H ILE 48 H ILE 48 -0.825 -0.712 -2.176
358 HA ILE 48 HA ILE 48 -1.600 2.097 -1.852
359 HB ILE 48 HB ILE 48 -3.386 -0.264 -2.440
360 HG12 ILE 48 1HG1 ILE 48 -3.374 1.094 -4.747
361 HG13 ILE 48 2HG1 ILE 48 -1.750 1.493 -4.197
362 HG21 ILE 48 1HG2 ILE 48 -4.450 1.723 -1.400
363 HG22 ILE 48 2HG2 ILE 48 -3.898 2.687 -2.770
364 HG23 ILE 48 3HG2 ILE 48 -5.046 1.373 -3.022
365 HD11 ILE 48 3HD1 ILE 48 -1.007 -0.471 -4.873
366 HD12 ILE 48 1HD1 ILE 48 -2.194 -1.307 -3.871
367 HD13 ILE 48 2HD1 ILE 48 -2.610 -0.826 -5.517
368 H CYS 49 H CYS 49 -2.557 2.852 -0.049
369 HA CYS 49 HA CYS 49 -2.939 0.949 2.160
370 HB2 CYS 49 1HB CYS 49 -2.682 3.946 2.406
371 HB3 CYS 49 2HB CYS 49 -2.515 2.738 3.675
372 H ASP 50 H ASP 50 -4.830 0.901 3.324
373 HA ASP 50 HA ASP 50 -7.060 2.481 2.220
374 HB2 ASP 50 1HB ASP 50 -7.473 -0.152 3.596
375 HB3 ASP 50 2HB ASP 50 -8.501 0.659 2.419
376 H TYR 51 H TYR 51 -7.799 3.953 3.586
377 HA TYR 51 HA TYR 51 -7.626 3.402 6.476
378 HB2 TYR 51 1HB TYR 51 -6.180 5.276 5.624
379 HB3 TYR 51 2HB TYR 51 -7.652 6.128 5.170
380 HD1 TYR 51 HD2 TYR 51 -6.479 4.272 8.204
381 HD2 TYR 51 HD1 TYR 51 -8.187 7.831 6.617
382 HE1 TYR 51 HE2 TYR 51 -6.634 5.203 10.475
383 HE2 TYR 51 HE1 TYR 51 -8.345 8.773 8.884
384 HH TYR 51 HH TYR 51 -7.090 7.016 11.695
385 H CYS 52 H CYS 52 -9.554 2.924 7.279
386 HA CYS 52 HA CYS 52 -11.880 4.484 6.369
387 HB2 CYS 52 1HB CYS 52 -11.650 1.943 5.663
388 HB3 CYS 52 2HB CYS 52 -12.247 1.668 7.296
389 H GLU 53 H GLU 53 -13.353 5.094 7.925
390 HA GLU 53 HA GLU 53 -12.662 4.422 10.708
391 HB2 GLU 53 1HB GLU 53 -11.928 6.690 10.265
392 HB3 GLU 53 2HB GLU 53 -13.500 7.106 9.600
393 HG2 GLU 53 1HG GLU 53 -13.296 8.003 11.818
394 HG3 GLU 53 2HG GLU 53 -14.512 6.726 11.808
395 H TYR 54 H TYR 54 -14.249 3.191 11.469
396 HA TYR 54 HA TYR 54 -16.317 2.433 12.036
397 HB2 TYR 54 1HB TYR 54 -16.447 4.964 12.671
398 HB3 TYR 54 2HB TYR 54 -17.513 5.078 11.273
399 HD1 TYR 54 HD1 TYR 54 -17.088 2.715 14.149
400 HD2 TYR 54 HD2 TYR 54 -19.747 5.073 11.810
401 HE1 TYR 54 HE1 TYR 54 -18.973 1.952 15.534
402 HE2 TYR 54 HE2 TYR 54 -21.639 4.317 13.187
403 HH TYR 54 HH TYR 54 -22.299 2.812 14.741