Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608538 | 5kwx RC | 30142 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 1HT CYS 1 -2.909 -3.958 6.840
2 H2 CYS 1 2HT CYS 1 -2.404 -5.523 6.418
3 H3 CYS 1 3HT CYS 1 -3.889 -4.906 5.867
4 HA CYS 1 HA CYS 1 -1.301 -3.748 5.234
5 HB2 CYS 1 2HB CYS 1 -2.984 -5.683 3.647
6 HB3 CYS 1 1HB CYS 1 -1.716 -4.695 2.928
7 H SER 2 H SER 2 -2.186 -1.778 5.789
8 HA SER 2 HA SER 2 -3.864 -0.654 3.703
9 HB2 SER 2 2HB SER 2 -3.980 -0.067 6.681
10 HB3 SER 2 1HB SER 2 -4.941 0.730 5.434
11 HG SER 2 HG SER 2 -6.209 -0.894 5.336
12 H TYR 3 H TYR 3 -3.426 1.684 3.561
13 HA TYR 3 HA TYR 3 -0.932 2.587 4.747
14 HB2 TYR 3 2HB TYR 3 -0.276 1.578 2.607
15 HB3 TYR 3 1HB TYR 3 -1.523 2.464 1.768
16 HD1 TYR 3 1HD TYR 3 -1.146 4.669 1.008
17 HD2 TYR 3 2HD TYR 3 1.689 2.804 3.571
18 HE1 TYR 3 1HE TYR 3 0.396 6.469 0.576
19 HE2 TYR 3 2HE TYR 3 3.267 4.623 3.153
20 HH TYR 3 HH TYR 3 2.374 7.505 1.865
21 H THR 4 H THR 4 -0.849 4.941 4.690
22 HA THR 4 HA THR 4 -3.427 6.118 3.954
23 HB THR 4 HB THR 4 -1.625 7.064 6.194
24 HG1 THR 4 1HG THR 4 -2.620 4.954 6.513
25 HG21 THR 4 1HG2 THR 4 -3.115 8.767 5.211
26 HG22 THR 4 2HG2 THR 4 -3.605 8.353 6.850
27 HG23 THR 4 3HG2 THR 4 -4.498 7.704 5.475
28 H CYS 5 H CYS 5 -3.249 7.532 2.373
29 HA CYS 5 HA CYS 5 -0.671 8.858 1.920
30 HB2 CYS 5 2HB CYS 5 -1.483 7.249 0.114
31 HB3 CYS 5 1HB CYS 5 -2.881 8.285 -0.084
32 HA DPR 6 HA DPR 6 -2.761 12.832 2.324
33 HB2 DPR 6 1HB DPR 6 -1.881 12.418 5.138
34 HB3 DPR 6 2HB DPR 6 -1.645 13.843 4.108
35 HG2 DPR 6 1HG DPR 6 0.380 12.230 4.624
36 HG3 DPR 6 2HG DPR 6 0.139 12.859 2.982
37 HD2 DPR 6 1HD DPR 6 -0.480 10.147 4.089
38 HD3 DPR 6 2HD DPR 6 0.205 10.602 2.514
39 HA PRO 7 HA PRO 7 -6.276 11.758 5.004
40 HB2 PRO 7 2HB PRO 7 -8.210 12.836 3.527
41 HB3 PRO 7 1HB PRO 7 -7.062 13.863 4.395
42 HG2 PRO 7 2HG PRO 7 -7.177 13.183 1.492
43 HG3 PRO 7 1HG PRO 7 -6.715 14.706 2.268
44 HD2 PRO 7 2HD PRO 7 -4.952 12.744 1.302
45 HD3 PRO 7 1HD PRO 7 -4.535 14.073 2.401
46 H GLN 8 H GLN 8 -5.270 10.328 2.235
47 HA GLN 8 HA GLN 8 -7.748 8.887 1.630
48 HB2 GLN 8 2HB GLN 8 -5.095 8.913 0.195
49 HB3 GLN 8 1HB GLN 8 -6.551 8.095 -0.346
50 HG2 GLN 8 2HG GLN 8 -6.361 11.065 0.053
51 HG3 GLN 8 1HG GLN 8 -6.023 10.255 -1.472
52 HE21 GLN 8 1HE2 GLN 8 -7.652 11.348 -2.472
53 HE22 GLN 8 2HE2 GLN 8 -9.316 11.001 -2.236
54 H THR 9 H THR 9 -8.006 7.025 2.683
55 HA THR 9 HA THR 9 -5.711 5.490 3.527
56 HB THR 9 HB THR 9 -8.686 4.861 3.703
57 HG1 THR 9 1HG THR 9 -8.486 6.328 5.233
58 HG21 THR 9 1HG2 THR 9 -7.283 2.821 3.741
59 HG22 THR 9 2HG2 THR 9 -8.014 3.119 5.319
60 HG23 THR 9 3HG2 THR 9 -6.318 3.515 5.044
61 H TYR 10 H TYR 10 -4.780 4.101 2.457
62 HA TYR 10 HA TYR 10 -5.795 3.383 -0.174
63 HB2 TYR 10 2HB TYR 10 -3.698 4.705 -0.009
64 HB3 TYR 10 1HB TYR 10 -2.997 3.447 0.972
65 HD1 TYR 10 1HD TYR 10 -2.326 1.362 -0.006
66 HD2 TYR 10 2HD TYR 10 -4.033 4.440 -2.314
67 HE1 TYR 10 1HE TYR 10 -1.512 0.243 -2.060
68 HE2 TYR 10 2HE TYR 10 -3.249 3.365 -4.379
69 HH TYR 10 HH TYR 10 -1.473 1.824 -5.016
70 H THR 11 H THR 11 -6.132 1.260 -0.586
71 HA THR 11 HA THR 11 -5.265 -0.743 1.374
72 HB THR 11 HB THR 11 -7.821 -0.822 -0.258
73 HG1 THR 11 1HG THR 11 -8.559 0.601 1.064
74 HG21 THR 11 1HG2 THR 11 -6.999 -2.976 0.616
75 HG22 THR 11 2HG2 THR 11 -8.503 -2.507 1.408
76 HG23 THR 11 3HG2 THR 11 -6.965 -2.303 2.245
77 H PHE 12 H PHE 12 -4.641 -2.713 0.482
78 HA PHE 12 HA PHE 12 -4.350 -2.654 -2.415
79 HB2 PHE 12 2HB PHE 12 -2.182 -2.388 -0.990
80 HB3 PHE 12 1HB PHE 12 -2.473 -4.081 -0.579
81 HD1 PHE 12 1HD PHE 12 -1.705 -5.777 -1.929
82 HD2 PHE 12 2HD PHE 12 -2.102 -1.855 -3.454
83 HE1 PHE 12 1HE PHE 12 -0.661 -6.513 -4.027
84 HE2 PHE 12 2HE PHE 12 -1.043 -2.568 -5.582
85 HZ PHE 12 HZ PHE 12 -0.324 -4.906 -5.859
86 HA PRO 13 HA PRO 13 -7.009 -6.221 -2.452
87 HB2 PRO 13 2HB PRO 13 -5.093 -7.092 -4.566
88 HB3 PRO 13 1HB PRO 13 -6.859 -7.056 -4.600
89 HG2 PRO 13 2HG PRO 13 -5.440 -5.177 -5.849
90 HG3 PRO 13 1HG PRO 13 -6.941 -4.779 -4.999
91 HD2 PRO 13 2HD PRO 13 -4.117 -4.218 -4.190
92 HD3 PRO 13 1HD PRO 13 -5.616 -3.318 -3.863
93 H THR 14 H THR 14 -3.572 -7.110 -3.020
94 HA THR 14 HA THR 14 -4.034 -9.392 -1.293
95 HB THR 14 HB THR 14 -1.793 -10.145 -2.385
96 HG1 THR 14 1HG THR 14 -1.449 -9.237 -4.418
97 HG21 THR 14 1HG2 THR 14 -4.351 -9.971 -3.994
98 HG22 THR 14 2HG2 THR 14 -3.959 -11.222 -2.813
99 HG23 THR 14 3HG2 THR 14 -3.025 -11.092 -4.304
100 H CYS 15 H CYS 15 -3.490 -9.073 0.714
101 HA CYS 15 HA CYS 15 -1.834 -7.072 1.723
102 HB2 CYS 15 2HB CYS 15 -3.598 -8.176 3.029
103 HB3 CYS 15 1HB CYS 15 -2.707 -9.686 2.992
104 H GLU 16 H GLU 16 -1.092 -10.343 0.711
105 HA GLU 16 HA GLU 16 1.449 -10.635 1.801
106 HB2 GLU 16 2HB GLU 16 0.188 -12.434 0.699
107 HB3 GLU 16 1HB GLU 16 0.381 -11.623 -0.847
108 HG2 GLU 16 2HG GLU 16 1.932 -13.416 -0.692
109 HG3 GLU 16 1HG GLU 16 2.807 -11.887 -0.647
110 H GLU 17 H GLU 17 0.503 -9.488 -1.410
111 HA GLU 17 HA GLU 17 3.120 -8.747 -2.219
112 HB2 GLU 17 2HB GLU 17 0.426 -8.092 -3.331
113 HB3 GLU 17 1HB GLU 17 1.949 -7.698 -4.121
114 HG2 GLU 17 2HG GLU 17 2.474 -10.055 -4.279
115 HG3 GLU 17 1HG GLU 17 0.975 -10.452 -3.437
116 H ALA 18 H ALA 18 0.613 -7.156 -0.508
117 HA ALA 18 HA ALA 18 1.162 -4.491 -1.071
118 HB1 ALA 18 1HB ALA 18 -0.012 -3.947 0.949
119 HB2 ALA 18 2HB ALA 18 0.215 -5.587 1.562
120 HB3 ALA 18 3HB ALA 18 -0.807 -5.306 0.153
121 H LYS 19 H LYS 19 3.111 -6.680 0.620
122 HA LYS 19 HA LYS 19 4.577 -4.632 2.062
123 HB2 LYS 19 2HB LYS 19 5.118 -7.574 1.686
124 HB3 LYS 19 1HB LYS 19 6.095 -6.507 2.684
125 HG2 LYS 19 2HG LYS 19 4.114 -6.052 4.076
126 HG3 LYS 19 1HG LYS 19 3.196 -7.204 3.106
127 HD2 LYS 19 2HD LYS 19 5.697 -7.869 4.663
128 HD3 LYS 19 1HD LYS 19 4.059 -8.154 5.243
129 HE2 LYS 19 2HE LYS 19 5.294 -9.367 2.764
130 HE3 LYS 19 1HE LYS 19 5.085 -10.181 4.309
131 HZ1 LYS 19 1HZ LYS 19 2.677 -9.903 4.065
132 HZ2 LYS 19 2HZ LYS 19 3.336 -10.782 2.793
133 HZ3 LYS 19 3HZ LYS 19 2.908 -9.174 2.560
134 H LYS 20 H LYS 20 4.742 -6.337 -0.933
135 HA LYS 20 HA LYS 20 7.451 -5.457 -1.508
136 HB2 LYS 20 2HB LYS 20 6.759 -7.704 -2.201
137 HB3 LYS 20 1HB LYS 20 5.441 -7.023 -3.138
138 HG2 LYS 20 2HG LYS 20 7.048 -5.989 -4.646
139 HG3 LYS 20 1HG LYS 20 8.377 -6.627 -3.674
140 HD2 LYS 20 2HD LYS 20 7.699 -8.895 -4.151
141 HD3 LYS 20 1HD LYS 20 6.267 -8.310 -4.998
142 HE2 LYS 20 2HE LYS 20 9.111 -7.787 -5.827
143 HE3 LYS 20 1HE LYS 20 8.060 -9.019 -6.527
144 HZ1 LYS 20 1HZ LYS 20 6.539 -7.218 -7.186
145 HZ2 LYS 20 2HZ LYS 20 8.053 -7.107 -7.894
146 HZ3 LYS 20 3HZ LYS 20 7.668 -6.078 -6.626
147 H MET 21 H MET 21 4.133 -4.897 -2.445
148 HA MET 21 HA MET 21 4.858 -2.706 -4.164
149 HB2 MET 21 2HB MET 21 2.915 -4.045 -4.799
150 HB3 MET 21 1HB MET 21 2.157 -3.723 -3.251
151 HG2 MET 21 2HG MET 21 1.173 -2.361 -5.012
152 HG3 MET 21 1HG MET 21 1.964 -1.363 -3.798
153 HE1 MET 21 1HE MET 21 3.640 -2.173 -8.026
154 HE2 MET 21 2HE MET 21 2.077 -2.753 -7.454
155 HE3 MET 21 3HE MET 21 3.563 -3.423 -6.785
156 H LYS 22 H LYS 22 5.835 -1.281 -2.964
157 HA LYS 22 HA LYS 22 4.583 -0.330 -0.546
158 HB2 LYS 22 2HB LYS 22 7.214 0.363 -1.855
159 HB3 LYS 22 1HB LYS 22 6.650 1.019 -0.322
160 HG2 LYS 22 2HG LYS 22 6.653 -1.181 0.670
161 HG3 LYS 22 1HG LYS 22 7.108 -1.902 -0.873
162 HD2 LYS 22 2HD LYS 22 9.193 -0.652 -0.839
163 HD3 LYS 22 1HD LYS 22 8.740 0.068 0.707
164 HE2 LYS 22 2HE LYS 22 10.294 -1.819 0.999
165 HE3 LYS 22 1HE LYS 22 8.733 -2.118 1.754
166 HZ1 LYS 22 1HZ LYS 22 8.131 -3.590 0.030
167 HZ2 LYS 22 2HZ LYS 22 9.710 -3.996 0.477
168 HZ3 LYS 22 3HZ LYS 22 9.444 -3.132 -0.935
169 H LYS 23 H LYS 23 4.361 2.016 -0.319
170 HA LYS 23 HA LYS 23 3.286 3.018 -2.835
171 HB2 LYS 23 2HB LYS 23 2.374 3.720 -0.027
172 HB3 LYS 23 1HB LYS 23 1.648 4.284 -1.517
173 HG2 LYS 23 2HG LYS 23 0.208 2.598 -0.635
174 HG3 LYS 23 1HG LYS 23 1.038 1.867 -2.007
175 HD2 LYS 23 2HD LYS 23 2.627 0.803 -0.455
176 HD3 LYS 23 1HD LYS 23 1.781 1.529 0.903
177 HE2 LYS 23 2HE LYS 23 -0.181 0.217 0.423
178 HE3 LYS 23 1HE LYS 23 0.566 -0.414 -1.050
179 HZ1 LYS 23 1HZ LYS 23 1.709 -0.800 1.651
180 HZ2 LYS 23 2HZ LYS 23 2.191 -1.556 0.224
181 HZ3 LYS 23 3HZ LYS 23 0.706 -1.929 0.925
182 H ARG 24 H ARG 24 3.517 5.288 -3.193
183 HA ARG 24 HA ARG 24 5.671 6.449 -1.592
184 HB2 ARG 24 2HB ARG 24 6.593 5.530 -3.673
185 HB3 ARG 24 1HB ARG 24 5.449 6.473 -4.600
186 HG2 ARG 24 2HG ARG 24 7.717 7.398 -4.670
187 HG3 ARG 24 1HG ARG 24 6.559 8.518 -3.963
188 HD2 ARG 24 2HD ARG 24 8.135 6.734 -2.169
189 HD3 ARG 24 1HD ARG 24 8.928 8.138 -2.878
190 HE ARG 24 HE ARG 24 6.739 9.246 -1.894
191 HH11 ARG 24 1HH1 ARG 24 8.913 6.925 -0.318
192 HH12 ARG 24 2HH1 ARG 24 8.719 7.621 1.224
193 HH21 ARG 24 1HH2 ARG 24 6.511 10.161 0.204
194 HH22 ARG 24 2HH2 ARG 24 7.337 9.456 1.538
195 H CYS 25 H CYS 25 4.427 7.786 -0.484
196 HA CYS 25 HA CYS 25 3.207 9.963 -2.001
197 HB2 CYS 25 2HB CYS 25 2.192 8.733 0.576
198 HB3 CYS 25 1HB CYS 25 1.555 10.199 -0.146
Start of MODEL 2
1 H1 CYS 1 1HT CYS 1 -3.744 -4.627 6.675
2 H2 CYS 1 2HT CYS 1 -3.247 -6.223 6.422
3 H3 CYS 1 3HT CYS 1 -4.646 -5.660 5.698
4 HA CYS 1 HA CYS 1 -1.958 -4.630 5.198
5 HB2 CYS 1 2HB CYS 1 -3.579 -6.649 3.684
6 HB3 CYS 1 1HB CYS 1 -2.287 -5.716 2.933
7 H SER 2 H SER 2 -2.721 -2.555 5.418
8 HA SER 2 HA SER 2 -4.231 -1.657 3.109
9 HB2 SER 2 2HB SER 2 -4.280 -0.498 5.905
10 HB3 SER 2 1HB SER 2 -5.219 0.066 4.522
11 HG SER 2 HG SER 2 -6.183 -1.405 6.167
12 H TYR 3 H TYR 3 -3.592 0.498 2.508
13 HA TYR 3 HA TYR 3 -0.786 1.080 3.112
14 HB2 TYR 3 2HB TYR 3 -1.058 0.145 0.887
15 HB3 TYR 3 1HB TYR 3 -2.396 1.217 0.542
16 HD1 TYR 3 1HD TYR 3 1.259 1.089 1.115
17 HD2 TYR 3 2HD TYR 3 -2.011 3.324 -0.429
18 HE1 TYR 3 1HE TYR 3 2.821 2.635 0.038
19 HE2 TYR 3 2HE TYR 3 -0.482 4.872 -1.491
20 HH TYR 3 HH TYR 3 1.806 5.612 -1.311
21 H THR 4 H THR 4 -0.347 3.464 3.004
22 HA THR 4 HA THR 4 -2.778 5.047 3.251
23 HB THR 4 HB THR 4 -0.380 5.315 5.093
24 HG1 THR 4 1HG THR 4 -1.482 3.468 5.634
25 HG21 THR 4 1HG2 THR 4 -3.122 6.606 5.155
26 HG22 THR 4 2HG2 THR 4 -1.616 7.415 4.724
27 HG23 THR 4 3HG2 THR 4 -1.859 6.820 6.367
28 H CYS 5 H CYS 5 -2.727 6.781 2.021
29 HA CYS 5 HA CYS 5 -0.143 7.879 1.198
30 HB2 CYS 5 2HB CYS 5 -1.328 6.662 -0.659
31 HB3 CYS 5 1HB CYS 5 -2.707 7.711 -0.423
32 HA DPR 6 HA DPR 6 -1.496 11.924 2.558
33 HB2 DPR 6 1HB DPR 6 -0.555 10.822 5.167
34 HB3 DPR 6 2HB DPR 6 -0.159 12.388 4.428
35 HG2 DPR 6 1HG DPR 6 1.622 10.454 4.393
36 HG3 DPR 6 2HG DPR 6 1.329 11.377 2.905
37 HD2 DPR 6 1HD DPR 6 0.357 8.642 3.664
38 HD3 DPR 6 2HD DPR 6 1.003 9.232 2.116
39 HA PRO 7 HA PRO 7 -5.023 11.379 5.349
40 HB2 PRO 7 2HB PRO 7 -6.816 12.773 3.920
41 HB3 PRO 7 1HB PRO 7 -5.507 13.581 4.792
42 HG2 PRO 7 2HG PRO 7 -5.701 12.889 1.890
43 HG3 PRO 7 1HG PRO 7 -5.139 14.398 2.636
44 HD2 PRO 7 2HD PRO 7 -3.462 12.444 1.713
45 HD3 PRO 7 1HD PRO 7 -3.044 13.549 3.037
46 H GLN 8 H GLN 8 -4.464 9.916 2.428
47 HA GLN 8 HA GLN 8 -7.139 8.745 2.194
48 HB2 GLN 8 2HB GLN 8 -6.252 9.634 0.130
49 HB3 GLN 8 1HB GLN 8 -4.770 8.715 0.328
50 HG2 GLN 8 2HG GLN 8 -6.175 6.625 0.185
51 HG3 GLN 8 1HG GLN 8 -7.519 7.661 -0.290
52 HE21 GLN 8 1HE2 GLN 8 -7.638 6.670 -2.320
53 HE22 GLN 8 2HE2 GLN 8 -6.471 6.972 -3.553
54 H THR 9 H THR 9 -7.279 7.017 3.589
55 HA THR 9 HA THR 9 -5.107 5.143 3.718
56 HB THR 9 HB THR 9 -7.966 4.838 4.720
57 HG1 THR 9 1HG THR 9 -5.757 5.503 6.361
58 HG21 THR 9 1HG2 THR 9 -6.702 2.721 4.565
59 HG22 THR 9 2HG2 THR 9 -6.991 3.164 6.247
60 HG23 THR 9 3HG2 THR 9 -5.403 3.428 5.525
61 H TYR 10 H TYR 10 -4.969 3.325 2.543
62 HA TYR 10 HA TYR 10 -6.836 3.075 0.283
63 HB2 TYR 10 2HB TYR 10 -4.552 4.126 -0.017
64 HB3 TYR 10 1HB TYR 10 -3.875 2.585 0.444
65 HD1 TYR 10 1HD TYR 10 -5.710 4.433 -2.095
66 HD2 TYR 10 2HD TYR 10 -3.806 0.763 -1.145
67 HE1 TYR 10 1HE TYR 10 -5.701 3.847 -4.458
68 HE2 TYR 10 2HE TYR 10 -3.792 0.145 -3.521
69 HH TYR 10 HH TYR 10 -4.971 0.718 -5.582
70 H THR 11 H THR 11 -7.773 1.054 0.304
71 HA THR 11 HA THR 11 -6.582 -1.016 1.958
72 HB THR 11 HB THR 11 -9.124 -1.130 0.269
73 HG1 THR 11 1HG THR 11 -8.972 0.499 2.046
74 HG21 THR 11 1HG2 THR 11 -9.732 -2.991 1.761
75 HG22 THR 11 2HG2 THR 11 -8.211 -2.802 2.630
76 HG23 THR 11 3HG2 THR 11 -8.204 -3.329 0.948
77 H PHE 12 H PHE 12 -5.461 -2.735 1.052
78 HA PHE 12 HA PHE 12 -5.032 -2.443 -1.819
79 HB2 PHE 12 2HB PHE 12 -3.137 -2.254 0.029
80 HB3 PHE 12 1HB PHE 12 -3.233 -4.004 -0.019
81 HD1 PHE 12 1HD PHE 12 -2.435 -1.013 -1.988
82 HD2 PHE 12 2HD PHE 12 -2.373 -5.262 -1.857
83 HE1 PHE 12 1HE PHE 12 -0.989 -1.054 -3.977
84 HE2 PHE 12 2HE PHE 12 -0.946 -5.307 -3.824
85 HZ PHE 12 HZ PHE 12 -0.243 -3.212 -4.897
86 HA PRO 13 HA PRO 13 -7.171 -6.315 -2.515
87 HB2 PRO 13 2HB PRO 13 -5.678 -7.086 -4.742
88 HB3 PRO 13 1HB PRO 13 -7.125 -6.083 -4.785
89 HG2 PRO 13 2HG PRO 13 -4.257 -5.290 -4.885
90 HG3 PRO 13 1HG PRO 13 -5.651 -4.560 -5.696
91 HD2 PRO 13 2HD PRO 13 -4.497 -3.436 -3.558
92 HD3 PRO 13 1HD PRO 13 -6.249 -3.336 -3.827
93 H THR 14 H THR 14 -3.680 -6.635 -3.303
94 HA THR 14 HA THR 14 -3.706 -9.214 -2.086
95 HB THR 14 HB THR 14 -1.284 -9.096 -3.089
96 HG1 THR 14 1HG THR 14 -1.372 -7.667 -4.960
97 HG21 THR 14 1HG2 THR 14 -3.115 -10.531 -3.905
98 HG22 THR 14 2HG2 THR 14 -2.187 -9.857 -5.242
99 HG23 THR 14 3HG2 THR 14 -3.759 -9.173 -4.826
100 H CYS 15 H CYS 15 -3.321 -9.338 -0.047
101 HA CYS 15 HA CYS 15 -2.307 -7.310 1.592
102 HB2 CYS 15 2HB CYS 15 -3.853 -8.959 2.410
103 HB3 CYS 15 1HB CYS 15 -2.740 -10.264 2.059
104 H GLU 16 H GLU 16 -0.748 -10.082 0.084
105 HA GLU 16 HA GLU 16 1.633 -9.888 1.611
106 HB2 GLU 16 2HB GLU 16 0.676 -11.873 0.259
107 HB3 GLU 16 1HB GLU 16 1.458 -11.111 -1.120
108 HG2 GLU 16 2HG GLU 16 2.864 -12.805 -0.198
109 HG3 GLU 16 1HG GLU 16 3.601 -11.220 0.063
110 H GLU 17 H GLU 17 0.471 -8.477 -1.354
111 HA GLU 17 HA GLU 17 3.019 -7.404 -2.148
112 HB2 GLU 17 2HB GLU 17 1.414 -8.065 -3.845
113 HB3 GLU 17 1HB GLU 17 0.214 -6.975 -3.185
114 HG2 GLU 17 2HG GLU 17 1.172 -6.105 -5.243
115 HG3 GLU 17 1HG GLU 17 1.560 -5.063 -3.882
116 H ALA 18 H ALA 18 0.239 -6.397 -0.345
117 HA ALA 18 HA ALA 18 0.547 -3.625 -0.358
118 HB1 ALA 18 1HB ALA 18 -0.758 -3.616 1.692
119 HB2 ALA 18 2HB ALA 18 -0.419 -5.333 1.922
120 HB3 ALA 18 3HB ALA 18 -1.398 -4.808 0.555
121 H LYS 19 H LYS 19 2.220 -6.054 1.451
122 HA LYS 19 HA LYS 19 3.561 -4.292 3.312
123 HB2 LYS 19 2HB LYS 19 4.334 -7.082 2.470
124 HB3 LYS 19 1HB LYS 19 4.765 -6.267 3.959
125 HG2 LYS 19 2HG LYS 19 2.532 -6.450 4.793
126 HG3 LYS 19 1HG LYS 19 1.940 -7.018 3.227
127 HD2 LYS 19 2HD LYS 19 3.473 -8.969 3.435
128 HD3 LYS 19 1HD LYS 19 3.858 -8.434 5.067
129 HE2 LYS 19 2HE LYS 19 1.582 -8.781 5.760
130 HE3 LYS 19 1HE LYS 19 1.085 -9.119 4.100
131 HZ1 LYS 19 1HZ LYS 19 1.394 -11.206 5.286
132 HZ2 LYS 19 2HZ LYS 19 2.950 -10.746 5.735
133 HZ3 LYS 19 3HZ LYS 19 2.601 -11.023 4.112
134 H LYS 20 H LYS 20 3.965 -5.307 0.098
135 HA LYS 20 HA LYS 20 6.851 -4.831 -0.020
136 HB2 LYS 20 2HB LYS 20 6.183 -6.978 -0.815
137 HB3 LYS 20 1HB LYS 20 4.860 -6.300 -1.734
138 HG2 LYS 20 2HG LYS 20 6.462 -5.327 -3.303
139 HG3 LYS 20 1HG LYS 20 7.792 -6.016 -2.365
140 HD2 LYS 20 2HD LYS 20 7.159 -8.217 -2.886
141 HD3 LYS 20 1HD LYS 20 5.562 -7.715 -3.436
142 HE2 LYS 20 2HE LYS 20 8.148 -6.990 -4.808
143 HE3 LYS 20 1HE LYS 20 7.114 -8.339 -5.280
144 HZ1 LYS 20 1HZ LYS 20 5.304 -6.683 -5.587
145 HZ2 LYS 20 2HZ LYS 20 6.588 -6.506 -6.661
146 HZ3 LYS 20 3HZ LYS 20 6.427 -5.438 -5.378
147 H MET 21 H MET 21 3.858 -3.418 -0.792
148 HA MET 21 HA MET 21 4.663 -1.915 -3.047
149 HB2 MET 21 2HB MET 21 2.290 -2.403 -2.605
150 HB3 MET 21 1HB MET 21 2.366 -1.426 -1.146
151 HG2 MET 21 2HG MET 21 1.328 -0.236 -3.038
152 HG3 MET 21 1HG MET 21 2.770 0.570 -2.426
153 HE1 MET 21 1HE MET 21 2.683 -2.658 -4.743
154 HE2 MET 21 2HE MET 21 2.687 -1.913 -6.342
155 HE3 MET 21 3HE MET 21 1.298 -1.706 -5.274
156 H LYS 22 H LYS 22 5.998 -0.431 -3.048
157 HA LYS 22 HA LYS 22 6.834 0.864 -0.643
158 HB2 LYS 22 2HB LYS 22 7.783 1.327 -3.474
159 HB3 LYS 22 1HB LYS 22 8.574 1.913 -2.010
160 HG2 LYS 22 2HG LYS 22 8.843 -0.440 -1.273
161 HG3 LYS 22 1HG LYS 22 8.189 -0.959 -2.820
162 HD2 LYS 22 2HD LYS 22 10.058 0.221 -3.946
163 HD3 LYS 22 1HD LYS 22 10.716 0.606 -2.353
164 HE2 LYS 22 2HE LYS 22 10.256 -2.157 -3.468
165 HE3 LYS 22 1HE LYS 22 11.814 -1.362 -3.282
166 HZ1 LYS 22 1HZ LYS 22 9.984 -2.130 -1.056
167 HZ2 LYS 22 2HZ LYS 22 11.456 -1.369 -0.852
168 HZ3 LYS 22 3HZ LYS 22 11.396 -2.929 -1.476
169 H LYS 23 H LYS 23 6.752 3.026 -0.177
170 HA LYS 23 HA LYS 23 4.185 4.030 -0.804
171 HB2 LYS 23 2HB LYS 23 6.335 5.106 0.991
172 HB3 LYS 23 1HB LYS 23 4.736 5.825 0.824
173 HG2 LYS 23 2HG LYS 23 3.699 3.791 1.608
174 HG3 LYS 23 1HG LYS 23 5.271 2.997 1.697
175 HD2 LYS 23 2HD LYS 23 5.967 4.589 3.420
176 HD3 LYS 23 1HD LYS 23 4.396 5.392 3.306
177 HE2 LYS 23 2HE LYS 23 3.266 3.395 4.020
178 HE3 LYS 23 1HE LYS 23 4.772 2.490 4.005
179 HZ1 LYS 23 1HZ LYS 23 4.157 4.770 5.814
180 HZ2 LYS 23 2HZ LYS 23 5.582 3.853 5.805
181 HZ3 LYS 23 3HZ LYS 23 4.121 3.132 6.217
182 H ARG 24 H ARG 24 3.836 4.823 -2.627
183 HA ARG 24 HA ARG 24 5.395 7.133 -3.542
184 HB2 ARG 24 2HB ARG 24 5.378 5.331 -5.200
185 HB3 ARG 24 1HB ARG 24 3.628 5.216 -5.085
186 HG2 ARG 24 2HG ARG 24 3.418 7.468 -6.018
187 HG3 ARG 24 1HG ARG 24 5.176 7.580 -6.128
188 HD2 ARG 24 2HD ARG 24 3.481 5.517 -7.506
189 HD3 ARG 24 1HD ARG 24 4.119 6.973 -8.275
190 HE ARG 24 HE ARG 24 6.339 5.966 -7.416
191 HH11 ARG 24 1HH1 ARG 24 3.627 4.140 -8.812
192 HH12 ARG 24 2HH1 ARG 24 4.594 2.938 -9.506
193 HH21 ARG 24 1HH2 ARG 24 7.696 4.326 -8.402
194 HH22 ARG 24 2HH2 ARG 24 6.974 3.030 -9.240
195 H CYS 25 H CYS 25 4.346 8.926 -2.923
196 HA CYS 25 HA CYS 25 1.482 9.020 -3.245
197 HB2 CYS 25 2HB CYS 25 2.021 8.199 -0.903
198 HB3 CYS 25 1HB CYS 25 2.812 9.743 -0.624
Start of MODEL 3
1 H1 CYS 1 1HT CYS 1 -3.568 -5.003 6.812
2 H2 CYS 1 2HT CYS 1 -3.030 -6.474 6.167
3 H3 CYS 1 3HT CYS 1 -4.370 -5.691 5.515
4 HA CYS 1 HA CYS 1 -1.694 -4.545 5.522
5 HB2 CYS 1 2HB CYS 1 -3.142 -6.104 3.384
6 HB3 CYS 1 1HB CYS 1 -1.780 -5.047 3.045
7 H SER 2 H SER 2 -2.349 -2.486 6.020
8 HA SER 2 HA SER 2 -4.224 -1.229 4.157
9 HB2 SER 2 2HB SER 2 -3.332 -0.320 6.909
10 HB3 SER 2 1HB SER 2 -4.566 0.437 5.902
11 HG SER 2 HG SER 2 -5.799 -1.401 6.089
12 H TYR 3 H TYR 3 -3.561 0.838 3.354
13 HA TYR 3 HA TYR 3 -0.751 1.518 3.750
14 HB2 TYR 3 2HB TYR 3 -0.982 0.343 1.571
15 HB3 TYR 3 1HB TYR 3 -2.285 1.432 1.116
16 HD1 TYR 3 1HD TYR 3 1.348 1.321 1.910
17 HD2 TYR 3 2HD TYR 3 -1.813 3.457 0.031
18 HE1 TYR 3 1HE TYR 3 2.983 2.860 0.935
19 HE2 TYR 3 2HE TYR 3 -0.232 4.984 -0.952
20 HH TYR 3 HH TYR 3 2.120 5.798 -0.428
21 H THR 4 H THR 4 -0.458 3.891 3.365
22 HA THR 4 HA THR 4 -3.007 5.310 3.459
23 HB THR 4 HB THR 4 -0.562 5.962 5.134
24 HG1 THR 4 1HG THR 4 -1.875 4.122 5.765
25 HG21 THR 4 1HG2 THR 4 -3.318 7.226 5.075
26 HG22 THR 4 2HG2 THR 4 -1.841 7.968 4.463
27 HG23 THR 4 3HG2 THR 4 -2.015 7.647 6.189
28 H CYS 5 H CYS 5 -3.175 6.829 2.009
29 HA CYS 5 HA CYS 5 -0.739 7.978 0.877
30 HB2 CYS 5 2HB CYS 5 -1.846 6.430 -0.740
31 HB3 CYS 5 1HB CYS 5 -3.320 7.375 -0.593
32 HA DPR 6 HA DPR 6 -2.599 12.012 1.403
33 HB2 DPR 6 1HB DPR 6 -0.916 11.919 3.854
34 HB3 DPR 6 2HB DPR 6 -0.975 13.169 2.598
35 HG2 DPR 6 1HG DPR 6 1.083 11.515 2.739
36 HG3 DPR 6 2HG DPR 6 0.383 11.934 1.162
37 HD2 DPR 6 1HD DPR 6 0.021 9.456 2.803
38 HD3 DPR 6 2HD DPR 6 0.279 9.634 1.053
39 HA PRO 7 HA PRO 7 -5.142 11.606 5.130
40 HB2 PRO 7 2HB PRO 7 -7.409 12.571 4.104
41 HB3 PRO 7 1HB PRO 7 -6.043 13.641 4.436
42 HG2 PRO 7 2HG PRO 7 -6.969 12.500 1.834
43 HG3 PRO 7 1HG PRO 7 -6.349 14.121 2.186
44 HD2 PRO 7 2HD PRO 7 -4.859 12.050 1.090
45 HD3 PRO 7 1HD PRO 7 -4.183 13.464 1.924
46 H GLN 8 H GLN 8 -5.088 9.730 2.400
47 HA GLN 8 HA GLN 8 -7.633 8.397 2.971
48 HB2 GLN 8 2HB GLN 8 -5.822 8.151 0.585
49 HB3 GLN 8 1HB GLN 8 -7.328 7.286 0.827
50 HG2 GLN 8 2HG GLN 8 -8.543 9.401 0.779
51 HG3 GLN 8 1HG GLN 8 -7.023 10.262 0.534
52 HE21 GLN 8 1HE2 GLN 8 -7.722 7.138 -0.922
53 HE22 GLN 8 2HE2 GLN 8 -7.822 7.710 -2.532
54 H THR 9 H THR 9 -7.441 6.714 4.292
55 HA THR 9 HA THR 9 -5.099 5.015 4.212
56 HB THR 9 HB THR 9 -7.798 4.438 5.504
57 HG1 THR 9 1HG THR 9 -7.262 6.207 6.569
58 HG21 THR 9 1HG2 THR 9 -4.994 3.480 6.153
59 HG22 THR 9 2HG2 THR 9 -6.225 2.537 5.317
60 HG23 THR 9 3HG2 THR 9 -6.465 3.006 7.002
61 H TYR 10 H TYR 10 -4.774 3.869 2.656
62 HA TYR 10 HA TYR 10 -6.854 3.297 0.744
63 HB2 TYR 10 2HB TYR 10 -4.788 4.429 0.017
64 HB3 TYR 10 1HB TYR 10 -3.838 3.081 0.597
65 HD1 TYR 10 1HD TYR 10 -3.389 1.301 -0.793
66 HD2 TYR 10 2HD TYR 10 -6.469 3.986 -1.775
67 HE1 TYR 10 1HE TYR 10 -3.585 0.208 -3.016
68 HE2 TYR 10 2HE TYR 10 -6.720 2.937 -4.007
69 HH TYR 10 HH TYR 10 -5.327 1.607 -5.559
70 H THR 11 H THR 11 -7.600 1.332 0.452
71 HA THR 11 HA THR 11 -6.547 -0.893 1.993
72 HB THR 11 HB THR 11 -8.846 -0.795 0.017
73 HG1 THR 11 1HG THR 11 -8.595 0.263 2.491
74 HG21 THR 11 1HG2 THR 11 -8.214 -2.676 2.298
75 HG22 THR 11 2HG2 THR 11 -8.067 -3.040 0.580
76 HG23 THR 11 3HG2 THR 11 -9.658 -2.749 1.288
77 H PHE 12 H PHE 12 -5.008 -2.081 1.117
78 HA PHE 12 HA PHE 12 -4.508 -1.685 -1.677
79 HB2 PHE 12 2HB PHE 12 -2.740 -1.788 0.258
80 HB3 PHE 12 1HB PHE 12 -2.893 -3.530 0.043
81 HD1 PHE 12 1HD PHE 12 -1.880 -0.408 -1.481
82 HD2 PHE 12 2HD PHE 12 -2.018 -4.613 -1.930
83 HE1 PHE 12 1HE PHE 12 -0.321 -0.243 -3.402
84 HE2 PHE 12 2HE PHE 12 -0.474 -4.480 -3.840
85 HZ PHE 12 HZ PHE 12 0.381 -2.291 -4.580
86 HA PRO 13 HA PRO 13 -6.957 -5.141 -2.998
87 HB2 PRO 13 2HB PRO 13 -5.230 -5.888 -5.085
88 HB3 PRO 13 1HB PRO 13 -6.584 -4.761 -5.198
89 HG2 PRO 13 2HG PRO 13 -3.679 -4.197 -4.824
90 HG3 PRO 13 1HG PRO 13 -4.882 -3.298 -5.764
91 HD2 PRO 13 2HD PRO 13 -4.039 -2.396 -3.447
92 HD3 PRO 13 1HD PRO 13 -5.765 -2.273 -3.866
93 H THR 14 H THR 14 -3.452 -5.760 -3.126
94 HA THR 14 HA THR 14 -4.019 -8.427 -2.144
95 HB THR 14 HB THR 14 -1.619 -8.774 -3.050
96 HG1 THR 14 1HG THR 14 -1.676 -7.175 -5.037
97 HG21 THR 14 1HG2 THR 14 -2.510 -9.245 -5.261
98 HG22 THR 14 2HG2 THR 14 -3.931 -8.258 -4.918
99 HG23 THR 14 3HG2 THR 14 -3.652 -9.754 -4.020
100 H CYS 15 H CYS 15 -3.391 -8.912 -0.172
101 HA CYS 15 HA CYS 15 -2.056 -7.021 1.485
102 HB2 CYS 15 2HB CYS 15 -3.793 -8.698 2.242
103 HB3 CYS 15 1HB CYS 15 -2.619 -9.964 1.967
104 H GLU 16 H GLU 16 -1.197 -9.814 -0.381
105 HA GLU 16 HA GLU 16 1.379 -10.401 0.439
106 HB2 GLU 16 2HB GLU 16 0.541 -10.324 -2.470
107 HB3 GLU 16 1HB GLU 16 1.761 -11.343 -1.741
108 HG2 GLU 16 2HG GLU 16 -0.005 -12.800 -2.146
109 HG3 GLU 16 1HG GLU 16 -0.200 -12.387 -0.445
110 H GLU 17 H GLU 17 0.389 -8.273 -2.213
111 HA GLU 17 HA GLU 17 3.014 -7.305 -2.605
112 HB2 GLU 17 2HB GLU 17 0.396 -6.376 -3.767
113 HB3 GLU 17 1HB GLU 17 1.983 -5.851 -4.314
114 HG2 GLU 17 2HG GLU 17 0.932 -8.678 -4.408
115 HG3 GLU 17 1HG GLU 17 0.997 -7.569 -5.773
116 H ALA 18 H ALA 18 0.294 -6.225 -0.713
117 HA ALA 18 HA ALA 18 0.856 -3.507 -0.435
118 HB1 ALA 18 1HB ALA 18 -0.368 -3.593 1.653
119 HB2 ALA 18 2HB ALA 18 -0.165 -5.346 1.708
120 HB3 ALA 18 3HB ALA 18 -1.155 -4.618 0.445
121 H LYS 19 H LYS 19 2.321 -6.241 1.122
122 HA LYS 19 HA LYS 19 3.864 -4.653 2.994
123 HB2 LYS 19 2HB LYS 19 3.959 -7.591 2.313
124 HB3 LYS 19 1HB LYS 19 4.820 -6.839 3.649
125 HG2 LYS 19 2HG LYS 19 2.729 -6.234 4.715
126 HG3 LYS 19 1HG LYS 19 1.820 -6.859 3.341
127 HD2 LYS 19 2HD LYS 19 3.606 -8.511 5.131
128 HD3 LYS 19 1HD LYS 19 1.855 -8.394 5.283
129 HE2 LYS 19 2HE LYS 19 1.597 -9.328 3.027
130 HE3 LYS 19 1HE LYS 19 3.347 -9.445 2.873
131 HZ1 LYS 19 1HZ LYS 19 1.711 -10.877 4.889
132 HZ2 LYS 19 2HZ LYS 19 3.379 -11.021 4.689
133 HZ3 LYS 19 3HZ LYS 19 2.333 -11.545 3.474
134 H LYS 20 H LYS 20 4.109 -5.530 -0.187
135 HA LYS 20 HA LYS 20 7.035 -5.580 -0.328
136 HB2 LYS 20 2HB LYS 20 5.837 -7.331 -1.467
137 HB3 LYS 20 1HB LYS 20 4.778 -6.165 -2.221
138 HG2 LYS 20 2HG LYS 20 6.662 -5.368 -3.577
139 HG3 LYS 20 1HG LYS 20 7.688 -6.609 -2.832
140 HD2 LYS 20 2HD LYS 20 6.304 -8.358 -3.653
141 HD3 LYS 20 1HD LYS 20 5.085 -7.218 -4.200
142 HE2 LYS 20 2HE LYS 20 6.698 -6.348 -5.839
143 HE3 LYS 20 1HE LYS 20 7.853 -7.582 -5.328
144 HZ1 LYS 20 1HZ LYS 20 5.136 -8.152 -6.340
145 HZ2 LYS 20 2HZ LYS 20 6.332 -9.281 -5.982
146 HZ3 LYS 20 3HZ LYS 20 6.532 -8.258 -7.298
147 H MET 21 H MET 21 4.184 -3.810 -1.215
148 HA MET 21 HA MET 21 5.233 -1.861 -2.889
149 HB2 MET 21 2HB MET 21 2.854 -2.410 -2.757
150 HB3 MET 21 1HB MET 21 2.807 -1.858 -1.092
151 HG2 MET 21 2HG MET 21 1.846 -0.201 -2.561
152 HG3 MET 21 1HG MET 21 3.329 0.413 -1.833
153 HE1 MET 21 1HE MET 21 3.317 2.119 -5.337
154 HE2 MET 21 2HE MET 21 3.406 2.361 -3.593
155 HE3 MET 21 3HE MET 21 1.918 1.760 -4.325
156 H LYS 22 H LYS 22 6.458 -0.326 -2.416
157 HA LYS 22 HA LYS 22 6.914 0.530 0.318
158 HB2 LYS 22 2HB LYS 22 8.678 1.930 -0.611
159 HB3 LYS 22 1HB LYS 22 8.828 0.261 -1.134
160 HG2 LYS 22 2HG LYS 22 7.876 0.867 -3.313
161 HG3 LYS 22 1HG LYS 22 7.735 2.539 -2.770
162 HD2 LYS 22 2HD LYS 22 9.743 2.263 -4.107
163 HD3 LYS 22 1HD LYS 22 10.132 2.628 -2.419
164 HE2 LYS 22 2HE LYS 22 10.623 0.289 -1.983
165 HE3 LYS 22 1HE LYS 22 10.143 -0.141 -3.623
166 HZ1 LYS 22 1HZ LYS 22 12.523 -0.028 -3.370
167 HZ2 LYS 22 2HZ LYS 22 12.443 1.562 -2.849
168 HZ3 LYS 22 3HZ LYS 22 12.004 1.167 -4.442
169 H LYS 23 H LYS 23 7.108 3.050 0.516
170 HA LYS 23 HA LYS 23 4.473 3.976 -0.071
171 HB2 LYS 23 2HB LYS 23 6.760 5.306 1.375
172 HB3 LYS 23 1HB LYS 23 5.130 5.964 1.235
173 HG2 LYS 23 2HG LYS 23 4.221 4.047 2.415
174 HG3 LYS 23 1HG LYS 23 5.824 3.326 2.512
175 HD2 LYS 23 2HD LYS 23 5.189 4.348 4.594
176 HD3 LYS 23 1HD LYS 23 6.573 5.198 3.886
177 HE2 LYS 23 2HE LYS 23 5.035 6.938 3.057
178 HE3 LYS 23 1HE LYS 23 3.687 6.049 3.761
179 HZ1 LYS 23 1HZ LYS 23 4.649 6.396 5.943
180 HZ2 LYS 23 2HZ LYS 23 4.380 7.869 5.176
181 HZ3 LYS 23 3HZ LYS 23 5.940 7.247 5.273
182 H ARG 24 H ARG 24 4.122 4.433 -2.012
183 HA ARG 24 HA ARG 24 5.562 6.572 -3.331
184 HB2 ARG 24 2HB ARG 24 6.693 4.405 -3.949
185 HB3 ARG 24 1HB ARG 24 5.160 3.845 -4.594
186 HG2 ARG 24 2HG ARG 24 5.222 5.729 -6.210
187 HG3 ARG 24 1HG ARG 24 6.824 6.130 -5.584
188 HD2 ARG 24 2HD ARG 24 7.600 3.870 -6.186
189 HD3 ARG 24 1HD ARG 24 6.021 3.543 -6.897
190 HE ARG 24 HE ARG 24 7.057 5.900 -7.979
191 HH11 ARG 24 1HH1 ARG 24 7.577 2.387 -8.163
192 HH12 ARG 24 2HH1 ARG 24 8.308 2.444 -9.696
193 HH21 ARG 24 1HH2 ARG 24 8.003 5.947 -10.127
194 HH22 ARG 24 2HH2 ARG 24 8.545 4.501 -10.837
195 H CYS 25 H CYS 25 3.607 7.744 -3.174
196 HA CYS 25 HA CYS 25 1.494 6.822 -4.914
197 HB2 CYS 25 2HB CYS 25 0.913 5.938 -2.662
198 HB3 CYS 25 1HB CYS 25 0.970 7.579 -2.031
Start of MODEL 4
1 H1 CYS 1 1HT CYS 1 -3.462 -4.726 4.249
2 H2 CYS 1 2HT CYS 1 -2.948 -4.023 5.692
3 H3 CYS 1 3HT CYS 1 -2.078 -5.319 5.017
4 HA CYS 1 HA CYS 1 -1.019 -3.206 4.702
5 HB2 CYS 1 2HB CYS 1 -1.982 -4.628 2.216
6 HB3 CYS 1 1HB CYS 1 -0.674 -3.457 2.245
7 H SER 2 H SER 2 -2.110 -1.391 5.351
8 HA SER 2 HA SER 2 -3.514 0.018 3.228
9 HB2 SER 2 2HB SER 2 -4.113 0.161 6.197
10 HB3 SER 2 1HB SER 2 -4.929 1.062 4.927
11 HG SER 2 HG SER 2 -5.941 -0.722 4.243
12 H TYR 3 H TYR 3 -2.989 2.222 3.200
13 HA TYR 3 HA TYR 3 -1.116 3.190 5.167
14 HB2 TYR 3 2HB TYR 3 0.569 3.914 3.637
15 HB3 TYR 3 1HB TYR 3 0.220 2.256 3.178
16 HD1 TYR 3 1HD TYR 3 -1.070 1.834 1.046
17 HD2 TYR 3 2HD TYR 3 0.235 5.709 2.171
18 HE1 TYR 3 1HE TYR 3 -1.347 2.614 -1.279
19 HE2 TYR 3 2HE TYR 3 -0.054 6.495 -0.124
20 HH TYR 3 HH TYR 3 -0.103 5.542 -2.406
21 H THR 4 H THR 4 -0.939 5.619 4.916
22 HA THR 4 HA THR 4 -3.509 6.516 3.899
23 HB THR 4 HB THR 4 -1.775 7.861 5.984
24 HG1 THR 4 1HG THR 4 -3.852 6.950 7.174
25 HG21 THR 4 1HG2 THR 4 -4.674 8.230 5.186
26 HG22 THR 4 2HG2 THR 4 -3.359 9.349 4.821
27 HG23 THR 4 3HG2 THR 4 -3.851 9.079 6.492
28 H CYS 5 H CYS 5 -3.470 7.551 2.099
29 HA CYS 5 HA CYS 5 -1.072 8.994 1.276
30 HB2 CYS 5 2HB CYS 5 -2.013 7.285 -0.313
31 HB3 CYS 5 1HB CYS 5 -3.513 8.201 -0.343
32 HA DPR 6 HA DPR 6 -3.302 12.902 1.403
33 HB2 DPR 6 1HB DPR 6 -1.564 13.215 3.782
34 HB3 DPR 6 2HB DPR 6 -1.733 14.308 2.398
35 HG2 DPR 6 1HG DPR 6 0.464 12.841 2.684
36 HG3 DPR 6 2HG DPR 6 -0.279 13.032 1.087
37 HD2 DPR 6 1HD DPR 6 -0.432 10.725 2.974
38 HD3 DPR 6 2HD DPR 6 -0.183 10.754 1.213
39 HA PRO 7 HA PRO 7 -5.623 12.164 5.230
40 HB2 PRO 7 2HB PRO 7 -7.958 13.139 4.431
41 HB3 PRO 7 1HB PRO 7 -6.590 14.218 4.737
42 HG2 PRO 7 2HG PRO 7 -7.723 13.304 2.137
43 HG3 PRO 7 1HG PRO 7 -7.015 14.869 2.563
44 HD2 PRO 7 2HD PRO 7 -5.718 12.731 1.242
45 HD3 PRO 7 1HD PRO 7 -4.950 14.184 1.913
46 H GLN 8 H GLN 8 -5.593 10.589 2.333
47 HA GLN 8 HA GLN 8 -8.108 9.135 2.680
48 HB2 GLN 8 2HB GLN 8 -6.219 9.340 0.354
49 HB3 GLN 8 1HB GLN 8 -7.670 8.354 0.366
50 HG2 GLN 8 2HG GLN 8 -7.583 11.339 0.704
51 HG3 GLN 8 1HG GLN 8 -7.979 10.487 -0.786
52 HE21 GLN 8 1HE2 GLN 8 -9.523 8.391 0.540
53 HE22 GLN 8 2HE2 GLN 8 -10.980 9.135 1.039
54 H THR 9 H THR 9 -8.045 7.174 3.522
55 HA THR 9 HA THR 9 -5.514 5.770 3.757
56 HB THR 9 HB THR 9 -8.275 4.801 4.554
57 HG1 THR 9 1HG THR 9 -8.165 6.466 5.850
58 HG21 THR 9 1HG2 THR 9 -7.007 3.421 6.145
59 HG22 THR 9 2HG2 THR 9 -5.499 4.125 5.565
60 HG23 THR 9 3HG2 THR 9 -6.470 3.116 4.493
61 H TYR 10 H TYR 10 -4.824 4.306 2.518
62 HA TYR 10 HA TYR 10 -6.521 3.394 0.298
63 HB2 TYR 10 2HB TYR 10 -4.555 4.899 -0.163
64 HB3 TYR 10 1HB TYR 10 -3.526 3.642 0.499
65 HD1 TYR 10 1HD TYR 10 -5.240 4.849 -2.327
66 HD2 TYR 10 2HD TYR 10 -3.513 1.411 -0.643
67 HE1 TYR 10 1HE TYR 10 -5.121 3.836 -4.577
68 HE2 TYR 10 2HE TYR 10 -3.374 0.346 -2.851
69 HH TYR 10 HH TYR 10 -4.557 0.568 -5.066
70 H THR 11 H THR 11 -6.708 1.192 0.120
71 HA THR 11 HA THR 11 -4.933 -0.457 1.763
72 HB THR 11 HB THR 11 -7.878 -0.965 1.205
73 HG1 THR 11 1HG THR 11 -7.524 0.638 2.725
74 HG21 THR 11 1HG2 THR 11 -7.625 -2.862 2.762
75 HG22 THR 11 2HG2 THR 11 -5.906 -2.505 2.920
76 HG23 THR 11 3HG2 THR 11 -6.551 -3.051 1.374
77 H PHE 12 H PHE 12 -3.917 -2.022 0.749
78 HA PHE 12 HA PHE 12 -4.341 -2.170 -2.119
79 HB2 PHE 12 2HB PHE 12 -2.042 -1.817 -0.884
80 HB3 PHE 12 1HB PHE 12 -2.142 -3.556 -0.620
81 HD1 PHE 12 1HD PHE 12 -1.872 -0.925 -3.128
82 HD2 PHE 12 2HD PHE 12 -1.731 -5.105 -2.414
83 HE1 PHE 12 1HE PHE 12 -0.913 -1.269 -5.373
84 HE2 PHE 12 2HE PHE 12 -0.769 -5.454 -4.652
85 HZ PHE 12 HZ PHE 12 -0.360 -3.536 -6.129
86 HA PRO 13 HA PRO 13 -6.791 -5.858 -1.595
87 HB2 PRO 13 2HB PRO 13 -6.115 -7.022 -4.031
88 HB3 PRO 13 1HB PRO 13 -7.396 -5.830 -3.798
89 HG2 PRO 13 2HG PRO 13 -4.587 -5.429 -4.731
90 HG3 PRO 13 1HG PRO 13 -6.084 -4.684 -5.320
91 HD2 PRO 13 2HD PRO 13 -4.442 -3.340 -3.755
92 HD3 PRO 13 1HD PRO 13 -6.199 -3.212 -3.522
93 H THR 14 H THR 14 -3.701 -6.509 -3.242
94 HA THR 14 HA THR 14 -3.499 -8.997 -1.856
95 HB THR 14 HB THR 14 -1.360 -9.050 -3.329
96 HG1 THR 14 1HG THR 14 -1.220 -7.446 -4.855
97 HG21 THR 14 1HG2 THR 14 -2.679 -9.831 -5.252
98 HG22 THR 14 2HG2 THR 14 -4.105 -9.031 -4.594
99 HG23 THR 14 3HG2 THR 14 -3.387 -10.396 -3.738
100 H CYS 15 H CYS 15 -3.042 -8.439 0.234
101 HA CYS 15 HA CYS 15 -1.093 -6.505 0.978
102 HB2 CYS 15 2HB CYS 15 -2.992 -7.329 2.450
103 HB3 CYS 15 1HB CYS 15 -2.115 -8.836 2.621
104 H GLU 16 H GLU 16 -1.112 -9.878 0.284
105 HA GLU 16 HA GLU 16 1.367 -10.787 1.128
106 HB2 GLU 16 2HB GLU 16 0.138 -11.485 -1.550
107 HB3 GLU 16 1HB GLU 16 1.185 -12.488 -0.571
108 HG2 GLU 16 2HG GLU 16 -0.928 -13.451 -0.337
109 HG3 GLU 16 1HG GLU 16 -0.744 -12.501 1.133
110 H GLU 17 H GLU 17 0.394 -9.006 -1.681
111 HA GLU 17 HA GLU 17 3.009 -8.968 -2.865
112 HB2 GLU 17 2HB GLU 17 1.039 -9.177 -4.258
113 HB3 GLU 17 1HB GLU 17 0.391 -7.685 -3.609
114 HG2 GLU 17 2HG GLU 17 2.086 -6.406 -4.709
115 HG3 GLU 17 1HG GLU 17 2.909 -7.878 -5.236
116 H ALA 18 H ALA 18 0.809 -6.705 -1.256
117 HA ALA 18 HA ALA 18 2.342 -4.375 -1.595
118 HB1 ALA 18 1HB ALA 18 0.375 -4.947 0.599
119 HB2 ALA 18 2HB ALA 18 -0.038 -4.392 -1.023
120 HB3 ALA 18 3HB ALA 18 0.913 -3.361 0.050
121 H LYS 19 H LYS 19 2.827 -6.958 0.607
122 HA LYS 19 HA LYS 19 4.417 -5.423 2.427
123 HB2 LYS 19 2HB LYS 19 4.113 -8.402 2.031
124 HB3 LYS 19 1HB LYS 19 5.232 -7.729 3.212
125 HG2 LYS 19 2HG LYS 19 3.428 -6.655 4.398
126 HG3 LYS 19 1HG LYS 19 2.277 -7.139 3.160
127 HD2 LYS 19 2HD LYS 19 3.822 -9.068 4.906
128 HD3 LYS 19 1HD LYS 19 2.182 -8.513 5.244
129 HE2 LYS 19 2HE LYS 19 1.502 -9.422 3.016
130 HE3 LYS 19 1HE LYS 19 3.116 -10.110 2.861
131 HZ1 LYS 19 1HZ LYS 19 1.192 -10.738 5.024
132 HZ2 LYS 19 2HZ LYS 19 2.698 -11.487 4.800
133 HZ3 LYS 19 3HZ LYS 19 1.468 -11.686 3.676
134 H LYS 20 H LYS 20 4.908 -6.395 -0.658
135 HA LYS 20 HA LYS 20 7.815 -6.023 -0.444
136 HB2 LYS 20 2HB LYS 20 7.191 -8.281 -1.245
137 HB3 LYS 20 1HB LYS 20 6.260 -7.553 -2.544
138 HG2 LYS 20 2HG LYS 20 8.319 -6.578 -3.449
139 HG3 LYS 20 1HG LYS 20 9.236 -7.356 -2.158
140 HD2 LYS 20 2HD LYS 20 8.523 -9.545 -2.945
141 HD3 LYS 20 1HD LYS 20 7.554 -8.785 -4.204
142 HE2 LYS 20 2HE LYS 20 9.671 -9.599 -5.104
143 HE3 LYS 20 1HE LYS 20 9.576 -7.847 -5.207
144 HZ1 LYS 20 1HZ LYS 20 11.747 -8.641 -4.430
145 HZ2 LYS 20 2HZ LYS 20 11.029 -9.317 -3.066
146 HZ3 LYS 20 3HZ LYS 20 10.995 -7.659 -3.305
147 H MET 21 H MET 21 4.915 -5.486 -2.364
148 HA MET 21 HA MET 21 6.044 -3.429 -4.014
149 HB2 MET 21 2HB MET 21 4.243 -4.879 -4.840
150 HB3 MET 21 1HB MET 21 3.194 -4.353 -3.540
151 HG2 MET 21 2HG MET 21 2.533 -3.267 -5.561
152 HG3 MET 21 1HG MET 21 3.244 -2.069 -4.484
153 HE1 MET 21 1HE MET 21 3.459 -0.364 -6.505
154 HE2 MET 21 2HE MET 21 2.725 -1.573 -7.556
155 HE3 MET 21 3HE MET 21 4.216 -0.775 -8.047
156 H LYS 22 H LYS 22 6.653 -1.653 -2.898
157 HA LYS 22 HA LYS 22 5.214 -0.765 -0.588
158 HB2 LYS 22 2HB LYS 22 7.485 0.597 -2.050
159 HB3 LYS 22 1HB LYS 22 6.842 1.027 -0.481
160 HG2 LYS 22 2HG LYS 22 7.615 -1.043 0.474
161 HG3 LYS 22 1HG LYS 22 8.154 -1.607 -1.107
162 HD2 LYS 22 2HD LYS 22 10.056 -0.780 0.189
163 HD3 LYS 22 1HD LYS 22 9.770 0.253 -1.209
164 HE2 LYS 22 2HE LYS 22 8.633 1.870 0.211
165 HE3 LYS 22 1HE LYS 22 8.860 0.829 1.614
166 HZ1 LYS 22 1HZ LYS 22 10.480 2.595 1.520
167 HZ2 LYS 22 2HZ LYS 22 11.028 2.098 0.018
168 HZ3 LYS 22 3HZ LYS 22 11.252 1.111 1.361
169 H LYS 23 H LYS 23 3.400 0.255 -0.792
170 HA LYS 23 HA LYS 23 3.075 2.262 -2.879
171 HB2 LYS 23 2HB LYS 23 1.150 0.534 -1.384
172 HB3 LYS 23 1HB LYS 23 0.600 2.085 -1.987
173 HG2 LYS 23 2HG LYS 23 1.865 -0.037 -3.714
174 HG3 LYS 23 1HG LYS 23 0.125 0.125 -3.471
175 HD2 LYS 23 2HD LYS 23 1.902 2.310 -4.578
176 HD3 LYS 23 1HD LYS 23 0.944 1.205 -5.568
177 HE2 LYS 23 2HE LYS 23 -1.105 2.061 -4.534
178 HE3 LYS 23 1HE LYS 23 -0.161 3.129 -3.504
179 HZ1 LYS 23 1HZ LYS 23 -0.253 3.271 -6.471
180 HZ2 LYS 23 2HZ LYS 23 0.588 4.321 -5.459
181 HZ3 LYS 23 3HZ LYS 23 -1.092 4.273 -5.417
182 H ARG 24 H ARG 24 3.540 4.214 -2.199
183 HA ARG 24 HA ARG 24 2.338 5.288 0.167
184 HB2 ARG 24 2HB ARG 24 4.389 4.302 1.110
185 HB3 ARG 24 1HB ARG 24 5.356 5.144 -0.088
186 HG2 ARG 24 2HG ARG 24 4.656 7.291 0.883
187 HG3 ARG 24 1HG ARG 24 3.721 6.415 2.092
188 HD2 ARG 24 2HD ARG 24 5.716 5.421 2.988
189 HD3 ARG 24 1HD ARG 24 6.704 6.127 1.717
190 HE ARG 24 HE ARG 24 5.492 7.495 3.986
191 HH11 ARG 24 1HH1 ARG 24 7.460 7.694 1.064
192 HH12 ARG 24 2HH1 ARG 24 8.156 9.198 1.448
193 HH21 ARG 24 1HH2 ARG 24 6.510 9.597 4.533
194 HH22 ARG 24 2HH2 ARG 24 7.629 10.282 3.467
195 H CYS 25 H CYS 25 2.214 7.535 0.011
196 HA CYS 25 HA CYS 25 2.856 8.518 -2.642
197 HB2 CYS 25 2HB CYS 25 1.040 9.658 -0.502
198 HB3 CYS 25 1HB CYS 25 1.248 10.326 -2.117
Start of MODEL 5
1 H1 CYS 1 1HT CYS 1 -4.038 -4.381 5.732
2 H2 CYS 1 2HT CYS 1 -3.152 -5.767 5.325
3 H3 CYS 1 3HT CYS 1 -4.173 -5.018 4.181
4 HA CYS 1 HA CYS 1 -1.832 -3.774 5.391
5 HB2 CYS 1 2HB CYS 1 -2.218 -5.215 2.790
6 HB3 CYS 1 1HB CYS 1 -0.984 -3.986 2.965
7 H SER 2 H SER 2 -2.533 -1.689 5.636
8 HA SER 2 HA SER 2 -3.488 -0.443 3.192
9 HB2 SER 2 2HB SER 2 -4.466 0.182 5.980
10 HB3 SER 2 1HB SER 2 -4.922 1.041 4.519
11 HG SER 2 HG SER 2 -6.309 -0.441 4.069
12 H TYR 3 H TYR 3 -2.771 1.512 2.807
13 HA TYR 3 HA TYR 3 -0.508 2.502 4.391
14 HB2 TYR 3 2HB TYR 3 0.272 1.712 2.245
15 HB3 TYR 3 1HB TYR 3 -1.063 2.483 1.406
16 HD1 TYR 3 1HD TYR 3 -0.813 4.619 0.514
17 HD2 TYR 3 2HD TYR 3 2.015 3.226 3.366
18 HE1 TYR 3 1HE TYR 3 0.527 6.590 0.114
19 HE2 TYR 3 2HE TYR 3 3.383 5.217 2.979
20 HH TYR 3 HH TYR 3 2.320 7.917 1.626
21 H THR 4 H THR 4 -0.404 4.875 4.492
22 HA THR 4 HA THR 4 -3.040 6.049 4.069
23 HB THR 4 HB THR 4 -0.909 6.933 6.012
24 HG1 THR 4 1HG THR 4 -2.152 4.825 6.310
25 HG21 THR 4 1HG2 THR 4 -3.801 7.728 5.666
26 HG22 THR 4 2HG2 THR 4 -2.401 8.726 5.280
27 HG23 THR 4 3HG2 THR 4 -2.733 8.278 6.955
28 H CYS 5 H CYS 5 -3.130 7.360 2.428
29 HA CYS 5 HA CYS 5 -0.729 8.838 1.642
30 HB2 CYS 5 2HB CYS 5 -1.583 7.117 -0.001
31 HB3 CYS 5 1HB CYS 5 -3.100 7.997 -0.049
32 HA DPR 6 HA DPR 6 -3.064 12.656 2.164
33 HB2 DPR 6 1HB DPR 6 -1.887 12.402 4.884
34 HB3 DPR 6 2HB DPR 6 -1.864 13.815 3.811
35 HG2 DPR 6 1HG DPR 6 0.321 12.379 4.155
36 HG3 DPR 6 2HG DPR 6 -0.129 12.909 2.521
37 HD2 DPR 6 1HD DPR 6 -0.443 10.215 3.797
38 HD3 DPR 6 2HD DPR 6 0.065 10.640 2.148
39 HA PRO 7 HA PRO 7 -6.221 11.451 5.181
40 HB2 PRO 7 2HB PRO 7 -8.354 12.259 3.795
41 HB3 PRO 7 1HB PRO 7 -7.271 13.426 4.561
42 HG2 PRO 7 2HG PRO 7 -7.497 12.648 1.693
43 HG3 PRO 7 1HG PRO 7 -7.137 14.228 2.404
44 HD2 PRO 7 2HD PRO 7 -5.259 12.431 1.360
45 HD3 PRO 7 1HD PRO 7 -4.902 13.811 2.418
46 H GLN 8 H GLN 8 -5.510 10.188 2.139
47 HA GLN 8 HA GLN 8 -7.854 8.486 1.931
48 HB2 GLN 8 2HB GLN 8 -6.992 9.582 -0.080
49 HB3 GLN 8 1HB GLN 8 -5.448 8.783 0.136
50 HG2 GLN 8 2HG GLN 8 -6.554 6.598 -0.171
51 HG3 GLN 8 1HG GLN 8 -8.078 7.434 -0.448
52 HE21 GLN 8 1HE2 GLN 8 -6.855 9.596 -1.970
53 HE22 GLN 8 2HE2 GLN 8 -6.419 8.937 -3.494
54 H THR 9 H THR 9 -7.863 6.616 2.961
55 HA THR 9 HA THR 9 -5.393 5.274 3.618
56 HB THR 9 HB THR 9 -8.253 4.313 3.968
57 HG1 THR 9 1HG THR 9 -6.657 5.615 5.937
58 HG21 THR 9 1HG2 THR 9 -7.277 2.946 5.780
59 HG22 THR 9 2HG2 THR 9 -5.679 3.596 5.407
60 HG23 THR 9 3HG2 THR 9 -6.519 2.587 4.229
61 H TYR 10 H TYR 10 -4.405 4.312 2.194
62 HA TYR 10 HA TYR 10 -5.712 3.425 -0.227
63 HB2 TYR 10 2HB TYR 10 -3.671 4.916 -0.214
64 HB3 TYR 10 1HB TYR 10 -2.780 3.573 0.469
65 HD1 TYR 10 1HD TYR 10 -4.675 4.691 -2.397
66 HD2 TYR 10 2HD TYR 10 -1.966 1.854 -0.893
67 HE1 TYR 10 1HE TYR 10 -4.271 3.901 -4.711
68 HE2 TYR 10 2HE TYR 10 -1.516 1.018 -3.180
69 HH TYR 10 HH TYR 10 -2.691 0.999 -5.369
70 H THR 11 H THR 11 -6.523 1.439 0.098
71 HA THR 11 HA THR 11 -4.934 -0.485 1.614
72 HB THR 11 HB THR 11 -7.779 -0.793 0.612
73 HG1 THR 11 1HG THR 11 -8.084 0.739 2.044
74 HG21 THR 11 1HG2 THR 11 -7.897 -2.532 2.356
75 HG22 THR 11 2HG2 THR 11 -6.227 -2.194 2.805
76 HG23 THR 11 3HG2 THR 11 -6.588 -2.878 1.223
77 H PHE 12 H PHE 12 -3.805 -1.912 0.665
78 HA PHE 12 HA PHE 12 -3.939 -2.116 -2.210
79 HB2 PHE 12 2HB PHE 12 -1.809 -1.940 -0.711
80 HB3 PHE 12 1HB PHE 12 -2.126 -3.636 -0.363
81 HD1 PHE 12 1HD PHE 12 -1.112 -1.236 -2.850
82 HD2 PHE 12 2HD PHE 12 -1.784 -5.331 -2.050
83 HE1 PHE 12 1HE PHE 12 0.125 -1.833 -4.912
84 HE2 PHE 12 2HE PHE 12 -0.569 -5.948 -4.100
85 HZ PHE 12 HZ PHE 12 0.390 -4.202 -5.528
86 HA PRO 13 HA PRO 13 -6.856 -5.438 -1.890
87 HB2 PRO 13 2HB PRO 13 -6.002 -6.862 -4.150
88 HB3 PRO 13 1HB PRO 13 -7.221 -5.590 -4.123
89 HG2 PRO 13 2HG PRO 13 -4.347 -5.449 -4.853
90 HG3 PRO 13 1HG PRO 13 -5.720 -4.547 -5.518
91 HD2 PRO 13 2HD PRO 13 -3.951 -3.422 -3.835
92 HD3 PRO 13 1HD PRO 13 -5.676 -2.985 -3.799
93 H THR 14 H THR 14 -3.589 -6.484 -2.846
94 HA THR 14 HA THR 14 -3.997 -8.894 -1.308
95 HB THR 14 HB THR 14 -1.944 -9.629 -2.646
96 HG1 THR 14 1HG THR 14 -1.278 -8.346 -4.240
97 HG21 THR 14 1HG2 THR 14 -4.236 -10.367 -3.141
98 HG22 THR 14 2HG2 THR 14 -3.306 -10.125 -4.623
99 HG23 THR 14 3HG2 THR 14 -4.487 -8.919 -4.115
100 H CYS 15 H CYS 15 -3.307 -8.685 0.681
101 HA CYS 15 HA CYS 15 -1.417 -6.769 1.547
102 HB2 CYS 15 2HB CYS 15 -3.292 -7.548 2.933
103 HB3 CYS 15 1HB CYS 15 -2.617 -9.158 2.972
104 H GLU 16 H GLU 16 -1.161 -9.956 0.337
105 HA GLU 16 HA GLU 16 1.345 -10.759 1.347
106 HB2 GLU 16 2HB GLU 16 0.496 -11.227 -1.512
107 HB3 GLU 16 1HB GLU 16 1.500 -12.248 -0.505
108 HG2 GLU 16 2HG GLU 16 -0.448 -13.426 -0.647
109 HG3 GLU 16 1HG GLU 16 -0.658 -12.579 0.882
110 H GLU 17 H GLU 17 0.463 -9.159 -1.639
111 HA GLU 17 HA GLU 17 3.132 -8.579 -2.392
112 HB2 GLU 17 2HB GLU 17 1.454 -9.091 -4.038
113 HB3 GLU 17 1HB GLU 17 0.472 -7.742 -3.508
114 HG2 GLU 17 2HG GLU 17 2.047 -6.173 -4.378
115 HG3 GLU 17 1HG GLU 17 3.207 -7.457 -4.721
116 H ALA 18 H ALA 18 0.631 -6.887 -0.708
117 HA ALA 18 HA ALA 18 1.496 -4.264 -0.972
118 HB1 ALA 18 1HB ALA 18 -0.617 -4.986 0.044
119 HB2 ALA 18 2HB ALA 18 0.246 -3.793 1.013
120 HB3 ALA 18 3HB ALA 18 0.280 -5.493 1.475
121 H LYS 19 H LYS 19 2.873 -6.825 0.940
122 HA LYS 19 HA LYS 19 4.503 -4.965 2.434
123 HB2 LYS 19 2HB LYS 19 4.444 -7.975 2.435
124 HB3 LYS 19 1HB LYS 19 5.495 -7.013 3.464
125 HG2 LYS 19 2HG LYS 19 3.470 -5.953 4.453
126 HG3 LYS 19 1HG LYS 19 2.480 -7.059 3.502
127 HD2 LYS 19 2HD LYS 19 4.551 -7.893 5.535
128 HD3 LYS 19 1HD LYS 19 2.818 -7.814 5.836
129 HE2 LYS 19 2HE LYS 19 4.127 -9.551 3.739
130 HE3 LYS 19 1HE LYS 19 3.650 -10.095 5.340
131 HZ1 LYS 19 1HZ LYS 19 1.374 -9.582 4.820
132 HZ2 LYS 19 2HZ LYS 19 1.983 -10.664 3.709
133 HZ3 LYS 19 3HZ LYS 19 1.768 -9.042 3.275
134 H LYS 20 H LYS 20 4.599 -6.176 -0.563
135 HA LYS 20 HA LYS 20 7.541 -6.157 -0.736
136 HB2 LYS 20 2HB LYS 20 6.418 -8.241 -1.483
137 HB3 LYS 20 1HB LYS 20 5.478 -7.307 -2.632
138 HG2 LYS 20 2HG LYS 20 7.552 -6.709 -3.813
139 HG3 LYS 20 1HG LYS 20 8.464 -7.698 -2.669
140 HD2 LYS 20 2HD LYS 20 7.144 -9.661 -3.344
141 HD3 LYS 20 1HD LYS 20 6.294 -8.667 -4.525
142 HE2 LYS 20 2HE LYS 20 9.257 -9.228 -4.484
143 HE3 LYS 20 1HE LYS 20 8.083 -9.984 -5.556
144 HZ1 LYS 20 1HZ LYS 20 7.627 -7.739 -6.478
145 HZ2 LYS 20 2HZ LYS 20 9.202 -8.244 -6.698
146 HZ3 LYS 20 3HZ LYS 20 8.880 -7.111 -5.535
147 H MET 21 H MET 21 4.526 -4.948 -2.036
148 HA MET 21 HA MET 21 5.908 -2.795 -3.451
149 HB2 MET 21 2HB MET 21 4.866 -4.393 -4.999
150 HB3 MET 21 1HB MET 21 3.347 -4.237 -4.133
151 HG2 MET 21 2HG MET 21 3.292 -2.959 -6.179
152 HG3 MET 21 1HG MET 21 3.191 -1.900 -4.780
153 HE1 MET 21 1HE MET 21 6.402 -3.673 -6.266
154 HE2 MET 21 2HE MET 21 6.981 -2.430 -7.372
155 HE3 MET 21 3HE MET 21 5.447 -3.239 -7.682
156 H LYS 22 H LYS 22 5.551 -0.984 -2.312
157 HA LYS 22 HA LYS 22 2.841 -0.561 -1.271
158 HB2 LYS 22 2HB LYS 22 3.751 0.754 0.567
159 HB3 LYS 22 1HB LYS 22 4.396 -0.876 0.601
160 HG2 LYS 22 2HG LYS 22 6.491 -0.069 -0.368
161 HG3 LYS 22 1HG LYS 22 5.825 1.565 -0.431
162 HD2 LYS 22 2HD LYS 22 5.559 1.546 1.988
163 HD3 LYS 22 1HD LYS 22 6.237 -0.077 2.052
164 HE2 LYS 22 2HE LYS 22 8.342 0.767 1.125
165 HE3 LYS 22 1HE LYS 22 7.656 2.390 1.051
166 HZ1 LYS 22 1HZ LYS 22 8.126 0.796 3.507
167 HZ2 LYS 22 2HZ LYS 22 7.448 2.343 3.495
168 HZ3 LYS 22 3HZ LYS 22 9.041 2.105 2.997
169 H LYS 23 H LYS 23 2.208 1.688 -1.176
170 HA LYS 23 HA LYS 23 3.159 3.104 -3.530
171 HB2 LYS 23 2HB LYS 23 0.696 2.823 -3.077
172 HB3 LYS 23 1HB LYS 23 0.892 3.803 -1.632
173 HG2 LYS 23 2HG LYS 23 1.604 5.692 -3.014
174 HG3 LYS 23 1HG LYS 23 1.394 4.703 -4.456
175 HD2 LYS 23 2HD LYS 23 -0.999 4.473 -3.920
176 HD3 LYS 23 1HD LYS 23 -0.764 5.505 -2.508
177 HE2 LYS 23 2HE LYS 23 -1.652 6.832 -4.331
178 HE3 LYS 23 1HE LYS 23 0.000 7.321 -3.997
179 HZ1 LYS 23 1HZ LYS 23 0.724 5.976 -5.911
180 HZ2 LYS 23 2HZ LYS 23 -0.369 7.160 -6.349
181 HZ3 LYS 23 3HZ LYS 23 -0.885 5.566 -6.227
182 H ARG 24 H ARG 24 3.919 5.307 -3.377
183 HA ARG 24 HA ARG 24 4.793 6.080 -0.695
184 HB2 ARG 24 2HB ARG 24 6.661 5.129 -1.986
185 HB3 ARG 24 1HB ARG 24 6.349 6.276 -3.276
186 HG2 ARG 24 2HG ARG 24 6.838 8.106 -1.702
187 HG3 ARG 24 1HG ARG 24 7.291 6.904 -0.487
188 HD2 ARG 24 2HD ARG 24 8.556 7.290 -3.197
189 HD3 ARG 24 1HD ARG 24 9.265 7.750 -1.650
190 HE ARG 24 HE ARG 24 8.977 5.209 -1.196
191 HH11 ARG 24 1HH1 ARG 24 10.031 6.699 -4.238
192 HH12 ARG 24 2HH1 ARG 24 10.939 5.343 -4.719
193 HH21 ARG 24 1HH2 ARG 24 10.211 3.405 -1.845
194 HH22 ARG 24 2HH2 ARG 24 11.063 3.412 -3.323
195 H CYS 25 H CYS 25 3.380 7.712 -0.362
196 HA CYS 25 HA CYS 25 3.007 9.677 -2.482
197 HB2 CYS 25 2HB CYS 25 1.619 9.408 0.201
198 HB3 CYS 25 1HB CYS 25 1.196 10.556 -1.067
Start of MODEL 6
1 H1 CYS 1 1HT CYS 1 -4.107 -5.092 6.564
2 H2 CYS 1 2HT CYS 1 -3.177 -6.393 6.007
3 H3 CYS 1 3HT CYS 1 -4.483 -5.803 5.082
4 HA CYS 1 HA CYS 1 -2.060 -4.307 5.759
5 HB2 CYS 1 2HB CYS 1 -2.908 -5.643 3.203
6 HB3 CYS 1 1HB CYS 1 -1.632 -4.437 3.289
7 H SER 2 H SER 2 -2.832 -2.337 6.183
8 HA SER 2 HA SER 2 -4.537 -1.160 4.135
9 HB2 SER 2 2HB SER 2 -4.065 -0.181 6.943
10 HB3 SER 2 1HB SER 2 -5.284 0.383 5.813
11 HG SER 2 HG SER 2 -6.122 -1.095 7.391
12 H TYR 3 H TYR 3 -3.772 0.647 3.197
13 HA TYR 3 HA TYR 3 -0.993 1.380 3.779
14 HB2 TYR 3 2HB TYR 3 -1.137 0.189 1.672
15 HB3 TYR 3 1HB TYR 3 -2.481 1.196 1.150
16 HD1 TYR 3 1HD TYR 3 1.134 1.299 1.998
17 HD2 TYR 3 2HD TYR 3 -2.076 3.147 -0.085
18 HE1 TYR 3 1HE TYR 3 2.708 2.810 0.924
19 HE2 TYR 3 2HE TYR 3 -0.523 4.672 -1.158
20 HH TYR 3 HH TYR 3 1.683 5.585 -0.801
21 H THR 4 H THR 4 -0.535 3.596 3.652
22 HA THR 4 HA THR 4 -2.931 5.274 3.615
23 HB THR 4 HB THR 4 -0.305 5.869 5.015
24 HG1 THR 4 1HG THR 4 -1.514 4.081 5.873
25 HG21 THR 4 1HG2 THR 4 -3.040 7.169 5.215
26 HG22 THR 4 2HG2 THR 4 -1.634 7.868 4.409
27 HG23 THR 4 3HG2 THR 4 -1.615 7.614 6.155
28 H CYS 5 H CYS 5 -3.125 6.588 1.966
29 HA CYS 5 HA CYS 5 -0.689 7.351 0.555
30 HB2 CYS 5 2HB CYS 5 -2.288 5.718 -0.639
31 HB3 CYS 5 1HB CYS 5 -3.421 7.059 -0.696
32 HA DPR 6 HA DPR 6 -2.056 11.611 0.840
33 HB2 DPR 6 1HB DPR 6 -0.282 11.489 3.228
34 HB3 DPR 6 2HB DPR 6 -0.261 12.670 1.909
35 HG2 DPR 6 1HG DPR 6 1.616 10.820 2.045
36 HG3 DPR 6 2HG DPR 6 0.861 11.181 0.480
37 HD2 DPR 6 1HD DPR 6 0.341 8.896 2.353
38 HD3 DPR 6 2HD DPR 6 0.533 8.899 0.584
39 HA PRO 7 HA PRO 7 -4.451 11.567 4.700
40 HB2 PRO 7 2HB PRO 7 -6.544 12.945 3.829
41 HB3 PRO 7 1HB PRO 7 -4.986 13.744 4.061
42 HG2 PRO 7 2HG PRO 7 -6.306 12.870 1.533
43 HG3 PRO 7 1HG PRO 7 -5.303 14.297 1.840
44 HD2 PRO 7 2HD PRO 7 -4.439 11.882 0.676
45 HD3 PRO 7 1HD PRO 7 -3.407 13.184 1.300
46 H GLN 8 H GLN 8 -4.688 9.636 2.133
47 HA GLN 8 HA GLN 8 -7.448 8.758 2.636
48 HB2 GLN 8 2HB GLN 8 -5.726 8.333 0.198
49 HB3 GLN 8 1HB GLN 8 -7.391 7.814 0.392
50 HG2 GLN 8 2HG GLN 8 -8.137 10.110 0.478
51 HG3 GLN 8 1HG GLN 8 -6.470 10.680 0.415
52 HE21 GLN 8 1HE2 GLN 8 -6.783 11.828 -1.475
53 HE22 GLN 8 2HE2 GLN 8 -7.010 11.063 -2.998
54 H THR 9 H THR 9 -7.726 6.746 3.386
55 HA THR 9 HA THR 9 -5.387 5.034 3.644
56 HB THR 9 HB THR 9 -8.174 4.692 4.820
57 HG1 THR 9 1HG THR 9 -7.094 6.499 5.687
58 HG21 THR 9 1HG2 THR 9 -6.928 2.579 4.603
59 HG22 THR 9 2HG2 THR 9 -7.070 3.048 6.300
60 HG23 THR 9 3HG2 THR 9 -5.553 3.302 5.439
61 H TYR 10 H TYR 10 -5.015 3.513 2.375
62 HA TYR 10 HA TYR 10 -7.066 2.784 0.430
63 HB2 TYR 10 2HB TYR 10 -4.921 3.970 -0.306
64 HB3 TYR 10 1HB TYR 10 -4.075 2.513 0.186
65 HD1 TYR 10 1HD TYR 10 -4.365 0.432 -1.083
66 HD2 TYR 10 2HD TYR 10 -6.229 4.038 -2.232
67 HE1 TYR 10 1HE TYR 10 -4.811 -0.542 -3.314
68 HE2 TYR 10 2HE TYR 10 -6.704 3.108 -4.475
69 HH TYR 10 HH TYR 10 -6.493 -0.158 -5.145
70 H THR 11 H THR 11 -7.817 0.774 0.793
71 HA THR 11 HA THR 11 -6.160 -1.041 2.336
72 HB THR 11 HB THR 11 -8.927 -1.506 1.201
73 HG1 THR 11 1HG THR 11 -8.845 0.240 2.700
74 HG21 THR 11 1HG2 THR 11 -7.393 -2.890 3.414
75 HG22 THR 11 2HG2 THR 11 -7.704 -3.548 1.808
76 HG23 THR 11 3HG2 THR 11 -9.042 -3.279 2.927
77 H PHE 12 H PHE 12 -4.735 -2.050 1.268
78 HA PHE 12 HA PHE 12 -4.751 -2.134 -1.575
79 HB2 PHE 12 2HB PHE 12 -2.756 -1.998 0.165
80 HB3 PHE 12 1HB PHE 12 -2.877 -3.753 0.091
81 HD1 PHE 12 1HD PHE 12 -2.292 -4.955 -1.952
82 HD2 PHE 12 2HD PHE 12 -1.976 -0.732 -1.682
83 HE1 PHE 12 1HE PHE 12 -0.908 -4.938 -3.978
84 HE2 PHE 12 2HE PHE 12 -0.582 -0.697 -3.712
85 HZ PHE 12 HZ PHE 12 -0.043 -2.801 -4.862
86 HA PRO 13 HA PRO 13 -7.277 -5.783 -1.902
87 HB2 PRO 13 2HB PRO 13 -6.138 -6.667 -4.323
88 HB3 PRO 13 1HB PRO 13 -7.537 -5.605 -4.162
89 HG2 PRO 13 2HG PRO 13 -4.691 -4.923 -4.692
90 HG3 PRO 13 1HG PRO 13 -6.163 -4.129 -5.274
91 HD2 PRO 13 2HD PRO 13 -4.639 -3.085 -3.342
92 HD3 PRO 13 1HD PRO 13 -6.405 -2.902 -3.322
93 H THR 14 H THR 14 -3.959 -6.335 -3.096
94 HA THR 14 HA THR 14 -4.007 -8.861 -1.760
95 HB THR 14 HB THR 14 -1.765 -9.058 -3.083
96 HG1 THR 14 1HG THR 14 -1.731 -7.766 -4.882
97 HG21 THR 14 1HG2 THR 14 -3.801 -10.339 -3.569
98 HG22 THR 14 2HG2 THR 14 -3.035 -9.796 -5.064
99 HG23 THR 14 3HG2 THR 14 -4.458 -8.959 -4.449
100 H CYS 15 H CYS 15 -3.446 -8.792 0.227
101 HA CYS 15 HA CYS 15 -1.946 -6.796 1.521
102 HB2 CYS 15 2HB CYS 15 -3.703 -8.166 2.571
103 HB3 CYS 15 1HB CYS 15 -2.700 -9.588 2.399
104 H GLU 16 H GLU 16 -1.003 -9.772 -0.049
105 HA GLU 16 HA GLU 16 1.581 -9.830 1.115
106 HB2 GLU 16 2HB GLU 16 0.562 -11.113 -1.424
107 HB3 GLU 16 1HB GLU 16 2.149 -11.413 -0.722
108 HG2 GLU 16 2HG GLU 16 -0.521 -12.038 0.530
109 HG3 GLU 16 1HG GLU 16 0.655 -13.196 -0.093
110 H GLU 17 H GLU 17 0.290 -8.501 -1.891
111 HA GLU 17 HA GLU 17 2.810 -7.510 -2.762
112 HB2 GLU 17 2HB GLU 17 0.006 -6.865 -3.612
113 HB3 GLU 17 1HB GLU 17 1.432 -6.155 -4.362
114 HG2 GLU 17 2HG GLU 17 2.193 -8.357 -5.012
115 HG3 GLU 17 1HG GLU 17 0.795 -9.078 -4.215
116 H ALA 18 H ALA 18 0.378 -6.343 -0.646
117 HA ALA 18 HA ALA 18 1.035 -3.617 -0.620
118 HB1 ALA 18 1HB ALA 18 -0.933 -4.556 0.487
119 HB2 ALA 18 2HB ALA 18 0.009 -3.540 1.577
120 HB3 ALA 18 3HB ALA 18 0.105 -5.300 1.703
121 H LYS 19 H LYS 19 2.680 -6.363 0.678
122 HA LYS 19 HA LYS 19 4.481 -4.777 2.274
123 HB2 LYS 19 2HB LYS 19 4.371 -7.714 1.635
124 HB3 LYS 19 1HB LYS 19 5.694 -6.998 2.546
125 HG2 LYS 19 2HG LYS 19 4.103 -6.221 4.240
126 HG3 LYS 19 1HG LYS 19 2.784 -6.957 3.328
127 HD2 LYS 19 2HD LYS 19 5.153 -8.541 4.268
128 HD3 LYS 19 1HD LYS 19 3.755 -8.288 5.302
129 HE2 LYS 19 2HE LYS 19 3.680 -9.545 2.553
130 HE3 LYS 19 1HE LYS 19 3.705 -10.439 4.071
131 HZ1 LYS 19 1HZ LYS 19 1.472 -10.266 3.264
132 HZ2 LYS 19 2HZ LYS 19 1.544 -8.585 3.177
133 HZ3 LYS 19 3HZ LYS 19 1.614 -9.362 4.675
134 H LYS 20 H LYS 20 4.209 -5.630 -0.954
135 HA LYS 20 HA LYS 20 7.054 -5.331 -1.464
136 HB2 LYS 20 2HB LYS 20 5.684 -7.056 -2.709
137 HB3 LYS 20 1HB LYS 20 4.776 -5.741 -3.435
138 HG2 LYS 20 2HG LYS 20 6.440 -6.571 -4.992
139 HG3 LYS 20 1HG LYS 20 6.845 -4.924 -4.495
140 HD2 LYS 20 2HD LYS 20 8.448 -5.805 -2.872
141 HD3 LYS 20 1HD LYS 20 8.028 -7.448 -3.354
142 HE2 LYS 20 2HE LYS 20 8.903 -7.019 -5.586
143 HE3 LYS 20 1HE LYS 20 9.264 -5.352 -5.131
144 HZ1 LYS 20 1HZ LYS 20 11.248 -6.737 -4.974
145 HZ2 LYS 20 2HZ LYS 20 10.468 -7.766 -3.898
146 HZ3 LYS 20 3HZ LYS 20 10.789 -6.183 -3.454
147 H MET 21 H MET 21 3.987 -3.780 -1.749
148 HA MET 21 HA MET 21 4.564 -1.547 -3.287
149 HB2 MET 21 2HB MET 21 2.294 -2.217 -2.829
150 HB3 MET 21 1HB MET 21 2.529 -1.972 -1.107
151 HG2 MET 21 2HG MET 21 1.238 -0.158 -2.063
152 HG3 MET 21 1HG MET 21 2.790 0.427 -1.473
153 HE1 MET 21 1HE MET 21 2.133 2.761 -4.525
154 HE2 MET 21 2HE MET 21 2.502 2.675 -2.802
155 HE3 MET 21 3HE MET 21 0.934 2.130 -3.396
156 H LYS 22 H LYS 22 6.001 -0.167 -2.908
157 HA LYS 22 HA LYS 22 7.115 0.615 -0.404
158 HB2 LYS 22 2HB LYS 22 8.241 2.336 -1.752
159 HB3 LYS 22 1HB LYS 22 8.327 0.771 -2.555
160 HG2 LYS 22 2HG LYS 22 6.335 1.461 -3.917
161 HG3 LYS 22 1HG LYS 22 6.496 3.063 -3.216
162 HD2 LYS 22 2HD LYS 22 8.734 3.250 -4.170
163 HD3 LYS 22 1HD LYS 22 8.572 1.634 -4.869
164 HE2 LYS 22 2HE LYS 22 6.541 2.430 -6.075
165 HE3 LYS 22 1HE LYS 22 6.888 4.050 -5.483
166 HZ1 LYS 22 1HZ LYS 22 9.019 3.954 -6.659
167 HZ2 LYS 22 2HZ LYS 22 7.712 3.758 -7.694
168 HZ3 LYS 22 3HZ LYS 22 8.613 2.423 -7.261
169 H LYS 23 H LYS 23 6.794 2.719 0.617
170 HA LYS 23 HA LYS 23 4.165 3.765 0.009
171 HB2 LYS 23 2HB LYS 23 4.313 4.953 2.216
172 HB3 LYS 23 1HB LYS 23 4.249 3.207 2.312
173 HG2 LYS 23 2HG LYS 23 6.665 3.161 2.727
174 HG3 LYS 23 1HG LYS 23 6.698 4.926 2.631
175 HD2 LYS 23 2HD LYS 23 5.175 5.089 4.509
176 HD3 LYS 23 1HD LYS 23 5.043 3.335 4.580
177 HE2 LYS 23 2HE LYS 23 7.431 3.186 5.099
178 HE3 LYS 23 1HE LYS 23 7.544 4.945 5.036
179 HZ1 LYS 23 1HZ LYS 23 7.319 4.060 7.303
180 HZ2 LYS 23 2HZ LYS 23 5.785 3.464 6.916
181 HZ3 LYS 23 3HZ LYS 23 6.082 5.114 6.903
182 H ARG 24 H ARG 24 4.150 5.160 -1.443
183 HA ARG 24 HA ARG 24 5.295 7.704 -1.061
184 HB2 ARG 24 2HB ARG 24 7.333 6.600 -1.884
185 HB3 ARG 24 1HB ARG 24 6.466 6.045 -3.306
186 HG2 ARG 24 2HG ARG 24 6.171 8.310 -4.071
187 HG3 ARG 24 1HG ARG 24 6.922 8.939 -2.605
188 HD2 ARG 24 2HD ARG 24 8.277 7.175 -4.641
189 HD3 ARG 24 1HD ARG 24 8.449 8.925 -4.526
190 HE ARG 24 HE ARG 24 9.064 7.749 -2.053
191 HH11 ARG 24 1HH1 ARG 24 10.396 8.085 -5.303
192 HH12 ARG 24 2HH1 ARG 24 12.024 7.972 -4.831
193 HH21 ARG 24 1HH2 ARG 24 11.321 7.637 -1.350
194 HH22 ARG 24 2HH2 ARG 24 12.556 7.752 -2.491
195 H CYS 25 H CYS 25 3.557 8.790 -1.586
196 HA CYS 25 HA CYS 25 2.157 8.113 -4.057
197 HB2 CYS 25 2HB CYS 25 1.154 9.571 -1.603
198 HB3 CYS 25 1HB CYS 25 0.228 9.316 -3.076
Start of MODEL 7
1 H1 CYS 1 1HT CYS 1 -5.465 -6.500 5.810
2 H2 CYS 1 2HT CYS 1 -5.983 -5.757 4.376
3 H3 CYS 1 3HT CYS 1 -6.453 -5.143 5.869
4 HA CYS 1 HA CYS 1 -4.277 -4.516 6.419
5 HB2 CYS 1 2HB CYS 1 -3.482 -5.572 3.693
6 HB3 CYS 1 1HB CYS 1 -2.427 -4.856 4.882
7 H SER 2 H SER 2 -4.570 -2.358 6.324
8 HA SER 2 HA SER 2 -5.164 -1.231 3.693
9 HB2 SER 2 2HB SER 2 -7.105 -1.184 5.224
10 HB3 SER 2 1HB SER 2 -6.175 -0.232 6.378
11 HG SER 2 HG SER 2 -7.650 0.820 4.830
12 H TYR 3 H TYR 3 -4.476 1.010 3.530
13 HA TYR 3 HA TYR 3 -2.157 1.641 5.177
14 HB2 TYR 3 2HB TYR 3 -1.303 0.506 3.159
15 HB3 TYR 3 1HB TYR 3 -2.238 1.594 2.146
16 HD1 TYR 3 1HD TYR 3 0.476 1.616 4.699
17 HD2 TYR 3 2HD TYR 3 -1.190 3.517 1.277
18 HE1 TYR 3 1HE TYR 3 2.375 3.144 4.632
19 HE2 TYR 3 2HE TYR 3 0.697 5.053 1.192
20 HH TYR 3 HH TYR 3 2.452 5.974 2.767
21 H THR 4 H THR 4 -1.647 3.930 5.049
22 HA THR 4 HA THR 4 -3.791 5.533 3.887
23 HB THR 4 HB THR 4 -2.386 6.178 6.492
24 HG1 THR 4 1HG THR 4 -4.581 4.584 5.866
25 HG21 THR 4 1HG2 THR 4 -3.325 8.083 5.215
26 HG22 THR 4 2HG2 THR 4 -4.190 7.810 6.722
27 HG23 THR 4 3HG2 THR 4 -4.894 7.279 5.196
28 H CYS 5 H CYS 5 -3.034 6.853 2.425
29 HA CYS 5 HA CYS 5 -0.191 7.595 2.427
30 HB2 CYS 5 2HB CYS 5 -0.996 6.323 0.432
31 HB3 CYS 5 1HB CYS 5 -2.212 7.566 0.165
32 HA DPR 6 HA DPR 6 -1.296 11.940 2.660
33 HB2 DPR 6 1HB DPR 6 -0.682 11.413 5.525
34 HB3 DPR 6 2HB DPR 6 -0.056 12.704 4.483
35 HG2 DPR 6 1HG DPR 6 1.477 10.651 5.150
36 HG3 DPR 6 2HG DPR 6 1.509 11.275 3.492
37 HD2 DPR 6 1HD DPR 6 0.166 8.834 4.583
38 HD3 DPR 6 2HD DPR 6 1.040 9.069 3.051
39 HA PRO 7 HA PRO 7 -5.117 11.735 5.126
40 HB2 PRO 7 2HB PRO 7 -6.569 13.384 3.666
41 HB3 PRO 7 1HB PRO 7 -5.198 14.017 4.585
42 HG2 PRO 7 2HG PRO 7 -5.399 13.412 1.666
43 HG3 PRO 7 1HG PRO 7 -4.618 14.778 2.481
44 HD2 PRO 7 2HD PRO 7 -3.318 12.478 1.564
45 HD3 PRO 7 1HD PRO 7 -2.667 13.632 2.746
46 H GLN 8 H GLN 8 -4.287 10.255 2.329
47 HA GLN 8 HA GLN 8 -7.003 9.597 1.465
48 HB2 GLN 8 2HB GLN 8 -4.350 9.047 0.127
49 HB3 GLN 8 1HB GLN 8 -5.938 8.698 -0.536
50 HG2 GLN 8 2HG GLN 8 -4.843 11.435 0.070
51 HG3 GLN 8 1HG GLN 8 -4.966 10.698 -1.525
52 HE21 GLN 8 1HE2 GLN 8 -6.136 13.146 -0.523
53 HE22 GLN 8 2HE2 GLN 8 -7.837 12.986 -0.716
54 H THR 9 H THR 9 -7.813 7.641 1.929
55 HA THR 9 HA THR 9 -6.102 5.687 3.234
56 HB THR 9 HB THR 9 -9.042 5.467 2.490
57 HG1 THR 9 1HG THR 9 -9.020 7.134 3.896
58 HG21 THR 9 1HG2 THR 9 -7.913 3.335 3.047
59 HG22 THR 9 2HG2 THR 9 -9.096 3.769 4.279
60 HG23 THR 9 3HG2 THR 9 -7.377 4.027 4.577
61 H TYR 10 H TYR 10 -5.396 3.874 2.403
62 HA TYR 10 HA TYR 10 -5.900 3.472 -0.435
63 HB2 TYR 10 2HB TYR 10 -3.719 4.569 0.026
64 HB3 TYR 10 1HB TYR 10 -3.294 3.225 1.071
65 HD1 TYR 10 1HD TYR 10 -4.322 3.976 -2.361
66 HD2 TYR 10 2HD TYR 10 -2.109 1.468 0.184
67 HE1 TYR 10 1HE TYR 10 -3.362 2.838 -4.354
68 HE2 TYR 10 2HE TYR 10 -1.124 0.307 -1.749
69 HH TYR 10 HH TYR 10 -1.286 1.503 -4.871
70 H THR 11 H THR 11 -7.083 1.657 -0.430
71 HA THR 11 HA THR 11 -6.617 -0.379 1.548
72 HB THR 11 HB THR 11 -8.628 -1.404 0.278
73 HG1 THR 11 1HG THR 11 -8.767 -0.325 -1.549
74 HG21 THR 11 1HG2 THR 11 -8.826 -0.283 2.462
75 HG22 THR 11 2HG2 THR 11 -10.215 0.085 1.438
76 HG23 THR 11 3HG2 THR 11 -8.933 1.279 1.651
77 H PHE 12 H PHE 12 -5.658 -2.364 1.066
78 HA PHE 12 HA PHE 12 -4.764 -2.600 -1.714
79 HB2 PHE 12 2HB PHE 12 -3.008 -2.134 0.314
80 HB3 PHE 12 1HB PHE 12 -3.156 -3.859 0.411
81 HD1 PHE 12 1HD PHE 12 -1.864 -5.249 -0.895
82 HD2 PHE 12 2HD PHE 12 -2.585 -1.269 -2.173
83 HE1 PHE 12 1HE PHE 12 -0.382 -5.598 -2.807
84 HE2 PHE 12 2HE PHE 12 -1.094 -1.603 -4.089
85 HZ PHE 12 HZ PHE 12 0.015 -3.780 -4.413
86 HA PRO 13 HA PRO 13 -6.910 -6.478 -1.484
87 HB2 PRO 13 2HB PRO 13 -6.086 -7.486 -3.870
88 HB3 PRO 13 1HB PRO 13 -7.316 -6.225 -3.724
89 HG2 PRO 13 2HG PRO 13 -4.402 -5.965 -4.346
90 HG3 PRO 13 1HG PRO 13 -5.778 -5.148 -5.110
91 HD2 PRO 13 2HD PRO 13 -4.218 -3.952 -3.251
92 HD3 PRO 13 1HD PRO 13 -5.954 -3.605 -3.403
93 H THR 14 H THR 14 -3.450 -6.677 -2.599
94 HA THR 14 HA THR 14 -3.307 -9.330 -1.493
95 HB THR 14 HB THR 14 -1.045 -9.099 -2.840
96 HG1 THR 14 1HG THR 14 -0.946 -7.396 -4.113
97 HG21 THR 14 1HG2 THR 14 -2.214 -9.885 -4.857
98 HG22 THR 14 2HG2 THR 14 -3.746 -9.317 -4.190
99 HG23 THR 14 3HG2 THR 14 -2.883 -10.643 -3.413
100 H CYS 15 H CYS 15 -2.816 -9.166 0.631
101 HA CYS 15 HA CYS 15 -1.390 -6.974 1.732
102 HB2 CYS 15 2HB CYS 15 -3.150 -8.213 2.964
103 HB3 CYS 15 1HB CYS 15 -2.074 -9.603 3.054
104 H GLU 16 H GLU 16 -0.404 -10.142 0.643
105 HA GLU 16 HA GLU 16 2.139 -10.051 1.935
106 HB2 GLU 16 2HB GLU 16 1.312 -11.626 -0.521
107 HB3 GLU 16 1HB GLU 16 2.762 -11.880 0.426
108 HG2 GLU 16 2HG GLU 16 1.467 -12.570 2.337
109 HG3 GLU 16 1HG GLU 16 -0.033 -12.212 1.481
110 H GLU 17 H GLU 17 0.825 -9.082 -1.166
111 HA GLU 17 HA GLU 17 3.351 -8.314 -2.277
112 HB2 GLU 17 2HB GLU 17 0.540 -7.657 -3.137
113 HB3 GLU 17 1HB GLU 17 1.988 -7.300 -4.063
114 HG2 GLU 17 2HG GLU 17 1.064 -10.060 -3.304
115 HG3 GLU 17 1HG GLU 17 0.789 -9.294 -4.865
116 H ALA 18 H ALA 18 1.010 -6.871 -0.240
117 HA ALA 18 HA ALA 18 1.343 -4.159 -0.718
118 HB1 ALA 18 1HB ALA 18 0.875 -5.461 1.959
119 HB2 ALA 18 2HB ALA 18 -0.373 -5.083 0.773
120 HB3 ALA 18 3HB ALA 18 0.536 -3.782 1.543
121 H LYS 19 H LYS 19 3.501 -6.337 0.873
122 HA LYS 19 HA LYS 19 5.083 -4.150 1.975
123 HB2 LYS 19 2HB LYS 19 5.446 -7.134 2.100
124 HB3 LYS 19 1HB LYS 19 6.528 -5.987 2.877
125 HG2 LYS 19 2HG LYS 19 4.673 -5.151 4.244
126 HG3 LYS 19 1HG LYS 19 3.586 -6.294 3.460
127 HD2 LYS 19 2HD LYS 19 6.031 -7.060 5.044
128 HD3 LYS 19 1HD LYS 19 4.393 -7.039 5.693
129 HE2 LYS 19 2HE LYS 19 5.344 -8.726 3.372
130 HE3 LYS 19 1HE LYS 19 5.119 -9.292 5.018
131 HZ1 LYS 19 1HZ LYS 19 3.225 -9.832 3.616
132 HZ2 LYS 19 2HZ LYS 19 2.902 -8.201 3.321
133 HZ3 LYS 19 3HZ LYS 19 2.779 -8.826 4.860
134 H LYS 20 H LYS 20 4.801 -5.667 -0.863
135 HA LYS 20 HA LYS 20 7.593 -5.447 -1.739
136 HB2 LYS 20 2HB LYS 20 6.472 -7.512 -2.256
137 HB3 LYS 20 1HB LYS 20 5.070 -6.657 -2.849
138 HG2 LYS 20 2HG LYS 20 6.426 -5.857 -4.759
139 HG3 LYS 20 1HG LYS 20 7.766 -6.855 -4.169
140 HD2 LYS 20 2HD LYS 20 6.467 -8.836 -4.346
141 HD3 LYS 20 1HD LYS 20 5.012 -7.923 -4.721
142 HE2 LYS 20 2HE LYS 20 6.091 -7.187 -6.825
143 HE3 LYS 20 1HE LYS 20 7.468 -8.220 -6.434
144 HZ1 LYS 20 1HZ LYS 20 4.688 -9.225 -6.652
145 HZ2 LYS 20 2HZ LYS 20 6.096 -10.143 -6.525
146 HZ3 LYS 20 3HZ LYS 20 5.793 -9.270 -7.929
147 H MET 21 H MET 21 4.334 -4.321 -2.225
148 HA MET 21 HA MET 21 4.914 -2.509 -4.341
149 HB2 MET 21 2HB MET 21 2.702 -3.582 -4.023
150 HB3 MET 21 1HB MET 21 2.507 -2.695 -2.523
151 HG2 MET 21 2HG MET 21 1.244 -1.623 -4.257
152 HG3 MET 21 1HG MET 21 2.591 -0.585 -3.791
153 HE1 MET 21 1HE MET 21 0.816 -0.319 -6.469
154 HE2 MET 21 2HE MET 21 2.075 0.103 -7.629
155 HE3 MET 21 3HE MET 21 2.092 0.805 -6.012
156 H LYS 22 H LYS 22 6.475 -1.188 -3.640
157 HA LYS 22 HA LYS 22 6.529 0.226 -1.233
158 HB2 LYS 22 2HB LYS 22 8.192 1.658 -2.357
159 HB3 LYS 22 1HB LYS 22 8.520 -0.059 -2.487
160 HG2 LYS 22 2HG LYS 22 7.382 0.107 -4.787
161 HG3 LYS 22 1HG LYS 22 7.577 1.851 -4.600
162 HD2 LYS 22 2HD LYS 22 9.479 1.056 -5.808
163 HD3 LYS 22 1HD LYS 22 9.996 1.424 -4.151
164 HE2 LYS 22 2HE LYS 22 9.797 -0.969 -3.568
165 HE3 LYS 22 1HE LYS 22 9.311 -1.311 -5.223
166 HZ1 LYS 22 1HZ LYS 22 11.590 -1.815 -4.884
167 HZ2 LYS 22 2HZ LYS 22 11.918 -0.285 -4.299
168 HZ3 LYS 22 3HZ LYS 22 11.517 -0.489 -5.925
169 H LYS 23 H LYS 23 6.217 2.492 -0.890
170 HA LYS 23 HA LYS 23 3.571 3.054 -1.866
171 HB2 LYS 23 2HB LYS 23 5.067 4.669 0.178
172 HB3 LYS 23 1HB LYS 23 3.330 4.528 -0.039
173 HG2 LYS 23 2HG LYS 23 5.221 2.452 1.046
174 HG3 LYS 23 1HG LYS 23 3.908 3.272 1.891
175 HD2 LYS 23 2HD LYS 23 2.264 2.106 0.592
176 HD3 LYS 23 1HD LYS 23 3.509 1.439 -0.470
177 HE2 LYS 23 2HE LYS 23 4.492 0.391 1.626
178 HE3 LYS 23 1HE LYS 23 2.969 0.802 2.403
179 HZ1 LYS 23 1HZ LYS 23 3.204 -0.822 -0.054
180 HZ2 LYS 23 2HZ LYS 23 1.785 -0.580 0.891
181 HZ3 LYS 23 3HZ LYS 23 3.068 -1.461 1.483
182 H ARG 24 H ARG 24 2.910 5.161 -2.421
183 HA ARG 24 HA ARG 24 4.959 6.857 -3.586
184 HB2 ARG 24 2HB ARG 24 4.182 5.375 -5.367
185 HB3 ARG 24 1HB ARG 24 2.519 5.829 -5.041
186 HG2 ARG 24 2HG ARG 24 3.031 8.121 -5.737
187 HG3 ARG 24 1HG ARG 24 4.686 7.634 -6.098
188 HD2 ARG 24 2HD ARG 24 3.322 7.647 -8.126
189 HD3 ARG 24 1HD ARG 24 3.850 6.010 -7.733
190 HE ARG 24 HE ARG 24 1.381 6.431 -6.530
191 HH11 ARG 24 1HH1 ARG 24 2.655 6.094 -9.799
192 HH12 ARG 24 2HH1 ARG 24 1.223 5.478 -10.463
193 HH21 ARG 24 1HH2 ARG 24 -0.553 5.590 -7.390
194 HH22 ARG 24 2HH2 ARG 24 -0.714 5.218 -9.041
195 H CYS 25 H CYS 25 4.557 8.240 -1.913
196 HA CYS 25 HA CYS 25 2.000 9.643 -2.041
197 HB2 CYS 25 2HB CYS 25 3.740 9.155 0.408
198 HB3 CYS 25 1HB CYS 25 2.301 10.169 0.371
Start of MODEL 8
1 H1 CYS 1 1HT CYS 1 -5.142 -6.592 5.688
2 H2 CYS 1 2HT CYS 1 -5.736 -5.825 4.304
3 H3 CYS 1 3HT CYS 1 -6.006 -5.139 5.814
4 HA CYS 1 HA CYS 1 -3.715 -4.742 6.120
5 HB2 CYS 1 2HB CYS 1 -3.411 -5.909 3.329
6 HB3 CYS 1 1HB CYS 1 -2.130 -5.122 4.233
7 H SER 2 H SER 2 -3.771 -2.669 6.163
8 HA SER 2 HA SER 2 -5.136 -1.234 4.049
9 HB2 SER 2 2HB SER 2 -5.891 -1.039 6.424
10 HB3 SER 2 1HB SER 2 -4.329 -0.341 6.821
11 HG SER 2 HG SER 2 -6.305 0.730 5.078
12 H TYR 3 H TYR 3 -4.251 0.965 3.741
13 HA TYR 3 HA TYR 3 -1.396 1.289 3.888
14 HB2 TYR 3 2HB TYR 3 -1.667 0.112 1.765
15 HB3 TYR 3 1HB TYR 3 -3.016 1.136 1.315
16 HD1 TYR 3 1HD TYR 3 -2.569 2.729 -0.298
17 HD2 TYR 3 2HD TYR 3 0.583 1.529 2.299
18 HE1 TYR 3 1HE TYR 3 -1.042 4.211 -1.482
19 HE2 TYR 3 2HE TYR 3 2.120 3.016 1.119
20 HH TYR 3 HH TYR 3 1.093 5.386 -1.077
21 H THR 4 H THR 4 -0.960 3.616 3.411
22 HA THR 4 HA THR 4 -3.346 5.266 3.319
23 HB THR 4 HB THR 4 -1.115 5.721 5.331
24 HG1 THR 4 1HG THR 4 -3.382 4.198 5.372
25 HG21 THR 4 1HG2 THR 4 -3.824 7.047 4.997
26 HG22 THR 4 2HG2 THR 4 -2.277 7.773 4.566
27 HG23 THR 4 3HG2 THR 4 -2.645 7.417 6.253
28 H CYS 5 H CYS 5 -3.125 6.697 1.793
29 HA CYS 5 HA CYS 5 -0.423 7.430 0.950
30 HB2 CYS 5 2HB CYS 5 -1.853 6.139 -0.710
31 HB3 CYS 5 1HB CYS 5 -2.955 7.510 -0.709
32 HA DPR 6 HA DPR 6 -1.494 11.768 1.469
33 HB2 DPR 6 1HB DPR 6 0.073 11.324 3.956
34 HB3 DPR 6 2HB DPR 6 0.292 12.585 2.729
35 HG2 DPR 6 1HG DPR 6 1.997 10.568 2.897
36 HG3 DPR 6 2HG DPR 6 1.452 11.135 1.306
37 HD2 DPR 6 1HD DPR 6 0.584 8.730 2.865
38 HD3 DPR 6 2HD DPR 6 0.917 8.904 1.128
39 HA PRO 7 HA PRO 7 -4.227 11.584 5.113
40 HB2 PRO 7 2HB PRO 7 -6.196 13.058 4.170
41 HB3 PRO 7 1HB PRO 7 -4.621 13.810 4.470
42 HG2 PRO 7 2HG PRO 7 -5.819 12.897 1.877
43 HG3 PRO 7 1HG PRO 7 -4.931 14.389 2.223
44 HD2 PRO 7 2HD PRO 7 -3.821 12.107 1.092
45 HD3 PRO 7 1HD PRO 7 -2.908 13.381 1.923
46 H GLN 8 H GLN 8 -4.377 9.932 2.289
47 HA GLN 8 HA GLN 8 -7.185 9.159 2.462
48 HB2 GLN 8 2HB GLN 8 -5.135 8.665 0.316
49 HB3 GLN 8 1HB GLN 8 -6.819 8.182 0.224
50 HG2 GLN 8 2HG GLN 8 -5.786 11.001 0.422
51 HG3 GLN 8 1HG GLN 8 -6.395 10.211 -1.030
52 HE21 GLN 8 1HE2 GLN 8 -8.596 8.883 0.326
53 HE22 GLN 8 2HE2 GLN 8 -9.739 10.103 0.704
54 H THR 9 H THR 9 -7.556 7.461 3.715
55 HA THR 9 HA THR 9 -5.615 5.394 4.113
56 HB THR 9 HB THR 9 -8.572 5.345 4.834
57 HG1 THR 9 1HG THR 9 -7.142 5.992 6.931
58 HG21 THR 9 1HG2 THR 9 -6.143 4.059 6.109
59 HG22 THR 9 2HG2 THR 9 -7.280 3.230 5.054
60 HG23 THR 9 3HG2 THR 9 -7.819 3.845 6.619
61 H TYR 10 H TYR 10 -5.560 3.438 3.113
62 HA TYR 10 HA TYR 10 -7.340 3.132 0.805
63 HB2 TYR 10 2HB TYR 10 -5.099 4.200 0.363
64 HB3 TYR 10 1HB TYR 10 -4.362 2.709 0.912
65 HD1 TYR 10 1HD TYR 10 -6.488 4.225 -1.635
66 HD2 TYR 10 2HD TYR 10 -4.145 0.857 -0.585
67 HE1 TYR 10 1HE TYR 10 -6.594 3.457 -3.952
68 HE2 TYR 10 2HE TYR 10 -4.235 0.047 -2.905
69 HH TYR 10 HH TYR 10 -5.661 0.334 -4.927
70 H THR 11 H THR 11 -7.790 0.978 0.353
71 HA THR 11 HA THR 11 -6.777 -0.988 2.278
72 HB THR 11 HB THR 11 -9.124 -1.236 0.382
73 HG1 THR 11 1HG THR 11 -9.928 0.199 1.773
74 HG21 THR 11 1HG2 THR 11 -8.188 -3.371 1.168
75 HG22 THR 11 2HG2 THR 11 -9.784 -3.102 1.869
76 HG23 THR 11 3HG2 THR 11 -8.338 -2.827 2.838
77 H PHE 12 H PHE 12 -5.158 -2.132 1.519
78 HA PHE 12 HA PHE 12 -4.667 -2.007 -1.313
79 HB2 PHE 12 2HB PHE 12 -2.926 -1.806 0.684
80 HB3 PHE 12 1HB PHE 12 -2.936 -3.568 0.530
81 HD1 PHE 12 1HD PHE 12 -2.117 -4.641 -1.466
82 HD2 PHE 12 2HD PHE 12 -1.984 -0.441 -0.996
83 HE1 PHE 12 1HE PHE 12 -0.553 -4.498 -3.364
84 HE2 PHE 12 2HE PHE 12 -0.402 -0.260 -2.888
85 HZ PHE 12 HZ PHE 12 0.317 -2.302 -4.077
86 HA PRO 13 HA PRO 13 -6.985 -5.734 -1.885
87 HB2 PRO 13 2HB PRO 13 -6.019 -6.314 -4.410
88 HB3 PRO 13 1HB PRO 13 -7.334 -5.186 -4.072
89 HG2 PRO 13 2HG PRO 13 -4.450 -4.629 -4.607
90 HG3 PRO 13 1HG PRO 13 -5.890 -3.735 -5.129
91 HD2 PRO 13 2HD PRO 13 -4.333 -2.902 -3.089
92 HD3 PRO 13 1HD PRO 13 -6.092 -2.631 -3.109
93 H THR 14 H THR 14 -3.588 -5.838 -2.993
94 HA THR 14 HA THR 14 -3.493 -8.604 -2.181
95 HB THR 14 HB THR 14 -1.235 -8.352 -3.462
96 HG1 THR 14 1HG THR 14 -1.309 -6.694 -5.006
97 HG21 THR 14 1HG2 THR 14 -3.169 -9.680 -4.232
98 HG22 THR 14 2HG2 THR 14 -2.387 -8.837 -5.567
99 HG23 THR 14 3HG2 THR 14 -3.895 -8.215 -4.897
100 H CYS 15 H CYS 15 -3.028 -8.642 -0.023
101 HA CYS 15 HA CYS 15 -1.442 -6.715 1.274
102 HB2 CYS 15 2HB CYS 15 -3.097 -8.050 2.475
103 HB3 CYS 15 1HB CYS 15 -2.147 -9.505 2.181
104 H GLU 16 H GLU 16 -0.605 -9.689 -0.357
105 HA GLU 16 HA GLU 16 1.968 -9.889 0.803
106 HB2 GLU 16 2HB GLU 16 0.982 -11.011 -1.816
107 HB3 GLU 16 1HB GLU 16 2.473 -11.461 -1.010
108 HG2 GLU 16 2HG GLU 16 -0.333 -11.954 -0.035
109 HG3 GLU 16 1HG GLU 16 0.847 -13.151 -0.572
110 H GLU 17 H GLU 17 0.658 -8.177 -1.924
111 HA GLU 17 HA GLU 17 3.270 -7.342 -2.793
112 HB2 GLU 17 2HB GLU 17 0.555 -6.362 -3.678
113 HB3 GLU 17 1HB GLU 17 2.086 -5.942 -4.431
114 HG2 GLU 17 2HG GLU 17 2.409 -8.362 -4.930
115 HG3 GLU 17 1HG GLU 17 0.771 -8.644 -4.343
116 H ALA 18 H ALA 18 0.771 -6.214 -0.701
117 HA ALA 18 HA ALA 18 1.524 -3.506 -0.467
118 HB1 ALA 18 1HB ALA 18 0.337 -3.533 1.676
119 HB2 ALA 18 2HB ALA 18 0.336 -5.296 1.660
120 HB3 ALA 18 3HB ALA 18 -0.582 -4.404 0.448
121 H LYS 19 H LYS 19 2.797 -6.410 0.864
122 HA LYS 19 HA LYS 19 4.567 -5.125 2.724
123 HB2 LYS 19 2HB LYS 19 4.427 -7.952 1.715
124 HB3 LYS 19 1HB LYS 19 5.550 -7.418 2.957
125 HG2 LYS 19 2HG LYS 19 3.673 -6.788 4.389
126 HG3 LYS 19 1HG LYS 19 2.542 -7.321 3.146
127 HD2 LYS 19 2HD LYS 19 4.587 -9.092 4.479
128 HD3 LYS 19 1HD LYS 19 2.897 -8.980 4.971
129 HE2 LYS 19 2HE LYS 19 2.184 -9.770 2.810
130 HE3 LYS 19 1HE LYS 19 3.848 -9.814 2.228
131 HZ1 LYS 19 1HZ LYS 19 3.031 -11.978 2.851
132 HZ2 LYS 19 2HZ LYS 19 2.739 -11.460 4.435
133 HZ3 LYS 19 3HZ LYS 19 4.331 -11.523 3.834
134 H LYS 20 H LYS 20 4.571 -5.378 -0.524
135 HA LYS 20 HA LYS 20 7.501 -5.441 -0.785
136 HB2 LYS 20 2HB LYS 20 6.294 -7.114 -2.095
137 HB3 LYS 20 1HB LYS 20 5.287 -5.862 -2.794
138 HG2 LYS 20 2HG LYS 20 7.288 -4.913 -3.878
139 HG3 LYS 20 1HG LYS 20 8.237 -6.258 -3.236
140 HD2 LYS 20 2HD LYS 20 6.783 -7.835 -4.402
141 HD3 LYS 20 1HD LYS 20 5.844 -6.494 -5.054
142 HE2 LYS 20 2HE LYS 20 7.870 -5.663 -6.177
143 HE3 LYS 20 1HE LYS 20 8.758 -7.060 -5.568
144 HZ1 LYS 20 1HZ LYS 20 6.397 -7.184 -7.364
145 HZ2 LYS 20 2HZ LYS 20 7.308 -8.510 -6.834
146 HZ3 LYS 20 3HZ LYS 20 7.999 -7.367 -7.844
147 H MET 21 H MET 21 4.556 -3.798 -1.844
148 HA MET 21 HA MET 21 5.773 -1.655 -3.165
149 HB2 MET 21 2HB MET 21 3.494 -2.445 -3.657
150 HB3 MET 21 1HB MET 21 2.991 -2.004 -2.039
151 HG2 MET 21 2HG MET 21 2.224 -0.358 -3.627
152 HG3 MET 21 1HG MET 21 3.409 0.361 -2.547
153 HE1 MET 21 1HE MET 21 4.225 -0.805 -6.950
154 HE2 MET 21 2HE MET 21 2.670 -0.997 -6.147
155 HE3 MET 21 3HE MET 21 4.037 -2.010 -5.681
156 H LYS 22 H LYS 22 6.447 0.083 -2.401
157 HA LYS 22 HA LYS 22 6.386 0.676 0.454
158 HB2 LYS 22 2HB LYS 22 7.957 2.552 -0.154
159 HB3 LYS 22 1HB LYS 22 8.543 0.957 -0.572
160 HG2 LYS 22 2HG LYS 22 7.867 1.368 -2.910
161 HG3 LYS 22 1HG LYS 22 7.367 2.995 -2.448
162 HD2 LYS 22 2HD LYS 22 9.601 3.580 -1.819
163 HD3 LYS 22 1HD LYS 22 10.152 1.920 -2.016
164 HE2 LYS 22 2HE LYS 22 9.151 3.734 -4.214
165 HE3 LYS 22 1HE LYS 22 10.833 3.340 -3.892
166 HZ1 LYS 22 1HZ LYS 22 9.995 1.991 -5.683
167 HZ2 LYS 22 2HZ LYS 22 8.734 1.402 -4.747
168 HZ3 LYS 22 3HZ LYS 22 10.327 1.004 -4.364
169 H LYS 23 H LYS 23 6.377 3.452 0.555
170 HA LYS 23 HA LYS 23 3.624 3.962 -0.012
171 HB2 LYS 23 2HB LYS 23 5.719 5.787 1.190
172 HB3 LYS 23 1HB LYS 23 4.007 6.164 1.066
173 HG2 LYS 23 2HG LYS 23 3.512 4.208 2.497
174 HG3 LYS 23 1HG LYS 23 5.243 3.944 2.684
175 HD2 LYS 23 2HD LYS 23 5.453 6.188 3.681
176 HD3 LYS 23 1HD LYS 23 3.707 6.402 3.513
177 HE2 LYS 23 2HE LYS 23 3.367 4.412 4.952
178 HE3 LYS 23 1HE LYS 23 5.110 4.310 5.168
179 HZ1 LYS 23 1HZ LYS 23 5.081 6.474 6.233
180 HZ2 LYS 23 2HZ LYS 23 4.043 5.411 7.013
181 HZ3 LYS 23 3HZ LYS 23 3.404 6.598 6.004
182 H ARG 24 H ARG 24 3.508 3.850 -2.122
183 HA ARG 24 HA ARG 24 5.037 5.672 -3.763
184 HB2 ARG 24 2HB ARG 24 4.794 3.351 -4.516
185 HB3 ARG 24 1HB ARG 24 3.051 3.514 -4.505
186 HG2 ARG 24 2HG ARG 24 3.167 5.115 -6.334
187 HG3 ARG 24 1HG ARG 24 4.930 5.029 -6.316
188 HD2 ARG 24 2HD ARG 24 4.855 2.674 -6.889
189 HD3 ARG 24 1HD ARG 24 3.098 2.684 -6.810
190 HE ARG 24 HE ARG 24 3.547 4.535 -8.651
191 HH11 ARG 24 1HH1 ARG 24 5.008 1.313 -8.334
192 HH12 ARG 24 2HH1 ARG 24 5.080 1.021 -9.999
193 HH21 ARG 24 1HH2 ARG 24 3.641 4.113 -10.972
194 HH22 ARG 24 2HH2 ARG 24 4.287 2.647 -11.526
195 H CYS 25 H CYS 25 4.239 7.555 -3.077
196 HA CYS 25 HA CYS 25 1.617 8.250 -4.145
197 HB2 CYS 25 2HB CYS 25 2.780 9.143 -1.495
198 HB3 CYS 25 1HB CYS 25 1.314 9.792 -2.219
Start of MODEL 9
1 H1 CYS 1 1HT CYS 1 -3.969 -5.369 5.101
2 H2 CYS 1 2HT CYS 1 -3.321 -4.664 6.474
3 H3 CYS 1 3HT CYS 1 -2.558 -5.999 5.767
4 HA CYS 1 HA CYS 1 -1.404 -3.960 5.293
5 HB2 CYS 1 2HB CYS 1 -2.751 -5.295 2.949
6 HB3 CYS 1 1HB CYS 1 -1.363 -4.223 2.817
7 H SER 2 H SER 2 -2.143 -1.991 5.943
8 HA SER 2 HA SER 2 -3.987 -0.642 4.128
9 HB2 SER 2 2HB SER 2 -5.011 -0.977 6.323
10 HB3 SER 2 1HB SER 2 -3.618 -0.246 7.126
11 HG SER 2 HG SER 2 -5.806 0.879 6.002
12 H TYR 3 H TYR 3 -3.514 1.619 3.942
13 HA TYR 3 HA TYR 3 -0.905 2.563 4.740
14 HB2 TYR 3 2HB TYR 3 -0.449 1.423 2.601
15 HB3 TYR 3 1HB TYR 3 -1.769 2.287 1.834
16 HD1 TYR 3 1HD TYR 3 1.467 2.875 3.583
17 HD2 TYR 3 2HD TYR 3 -1.308 4.256 0.676
18 HE1 TYR 3 1HE TYR 3 3.026 4.634 2.948
19 HE2 TYR 3 2HE TYR 3 0.211 6.009 0.022
20 HH TYR 3 HH TYR 3 2.226 7.290 1.262
21 H THR 4 H THR 4 -0.793 4.954 4.227
22 HA THR 4 HA THR 4 -3.464 6.083 3.909
23 HB THR 4 HB THR 4 -1.367 7.169 5.809
24 HG1 THR 4 1HG THR 4 -3.629 6.059 6.912
25 HG21 THR 4 1HG2 THR 4 -3.044 8.783 5.014
26 HG22 THR 4 2HG2 THR 4 -3.283 8.425 6.723
27 HG23 THR 4 3HG2 THR 4 -4.336 7.694 5.514
28 H CYS 5 H CYS 5 -3.480 7.297 2.163
29 HA CYS 5 HA CYS 5 -1.007 8.602 1.321
30 HB2 CYS 5 2HB CYS 5 -1.930 6.955 -0.294
31 HB3 CYS 5 1HB CYS 5 -3.465 7.798 -0.280
32 HA DPR 6 HA DPR 6 -2.860 12.667 1.718
33 HB2 DPR 6 1HB DPR 6 -1.684 12.364 4.444
34 HB3 DPR 6 2HB DPR 6 -1.512 13.719 3.315
35 HG2 DPR 6 1HG DPR 6 0.488 12.043 3.670
36 HG3 DPR 6 2HG DPR 6 0.070 12.576 2.030
37 HD2 DPR 6 1HD DPR 6 -0.526 9.980 3.393
38 HD3 DPR 6 2HD DPR 6 -0.023 10.302 1.719
39 HA PRO 7 HA PRO 7 -6.122 12.183 4.852
40 HB2 PRO 7 2HB PRO 7 -8.117 13.245 3.441
41 HB3 PRO 7 1HB PRO 7 -6.813 14.261 4.061
42 HG2 PRO 7 2HG PRO 7 -7.269 13.243 1.295
43 HG3 PRO 7 1HG PRO 7 -6.653 14.816 1.822
44 HD2 PRO 7 2HD PRO 7 -5.089 12.677 0.946
45 HD3 PRO 7 1HD PRO 7 -4.506 14.063 1.887
46 H GLN 8 H GLN 8 -5.492 10.283 2.310
47 HA GLN 8 HA GLN 8 -8.124 8.977 2.268
48 HB2 GLN 8 2HB GLN 8 -5.970 9.041 0.163
49 HB3 GLN 8 1HB GLN 8 -7.468 8.137 0.031
50 HG2 GLN 8 2HG GLN 8 -8.741 10.223 0.113
51 HG3 GLN 8 1HG GLN 8 -7.247 11.131 0.293
52 HE21 GLN 8 1HE2 GLN 8 -5.804 9.482 -1.621
53 HE22 GLN 8 2HE2 GLN 8 -6.380 9.908 -3.181
54 H THR 9 H THR 9 -8.145 7.135 3.360
55 HA THR 9 HA THR 9 -5.732 5.664 3.914
56 HB THR 9 HB THR 9 -8.616 4.815 4.416
57 HG1 THR 9 1HG THR 9 -8.051 6.802 5.493
58 HG21 THR 9 1HG2 THR 9 -6.002 3.926 5.656
59 HG22 THR 9 2HG2 THR 9 -6.980 2.986 4.530
60 HG23 THR 9 3HG2 THR 9 -7.603 3.366 6.136
61 H TYR 10 H TYR 10 -4.882 4.206 2.765
62 HA TYR 10 HA TYR 10 -6.260 3.417 0.326
63 HB2 TYR 10 2HB TYR 10 -4.176 4.822 0.199
64 HB3 TYR 10 1HB TYR 10 -3.309 3.497 0.945
65 HD1 TYR 10 1HD TYR 10 -5.383 4.367 -1.937
66 HD2 TYR 10 2HD TYR 10 -2.396 1.817 -0.394
67 HE1 TYR 10 1HE TYR 10 -5.005 3.474 -4.206
68 HE2 TYR 10 2HE TYR 10 -1.987 0.892 -2.650
69 HH TYR 10 HH TYR 10 -3.208 2.397 -5.439
70 H THR 11 H THR 11 -7.078 1.451 0.640
71 HA THR 11 HA THR 11 -5.540 -0.457 2.200
72 HB THR 11 HB THR 11 -8.382 -0.643 1.137
73 HG1 THR 11 1HG THR 11 -8.974 0.187 2.977
74 HG21 THR 11 1HG2 THR 11 -6.888 -2.422 3.082
75 HG22 THR 11 2HG2 THR 11 -7.326 -2.856 1.431
76 HG23 THR 11 3HG2 THR 11 -8.586 -2.590 2.637
77 H PHE 12 H PHE 12 -4.476 -2.053 1.233
78 HA PHE 12 HA PHE 12 -4.353 -1.954 -1.668
79 HB2 PHE 12 2HB PHE 12 -2.393 -1.993 0.121
80 HB3 PHE 12 1HB PHE 12 -2.653 -3.726 0.048
81 HD1 PHE 12 1HD PHE 12 -2.359 -4.880 -2.215
82 HD2 PHE 12 2HD PHE 12 -1.134 -0.878 -1.477
83 HE1 PHE 12 1HE PHE 12 -0.854 -4.986 -4.147
84 HE2 PHE 12 2HE PHE 12 0.375 -0.980 -3.412
85 HZ PHE 12 HZ PHE 12 0.519 -3.040 -4.752
86 HA PRO 13 HA PRO 13 -7.028 -5.550 -1.967
87 HB2 PRO 13 2HB PRO 13 -6.174 -6.392 -4.464
88 HB3 PRO 13 1HB PRO 13 -7.401 -5.154 -4.183
89 HG2 PRO 13 2HG PRO 13 -4.507 -4.844 -4.831
90 HG3 PRO 13 1HG PRO 13 -5.891 -3.874 -5.373
91 HD2 PRO 13 2HD PRO 13 -4.190 -3.044 -3.460
92 HD3 PRO 13 1HD PRO 13 -5.916 -2.629 -3.438
93 H THR 14 H THR 14 -3.710 -6.115 -3.245
94 HA THR 14 HA THR 14 -3.773 -8.790 -2.202
95 HB THR 14 HB THR 14 -1.399 -8.560 -3.345
96 HG1 THR 14 1HG THR 14 -1.290 -6.923 -4.766
97 HG21 THR 14 1HG2 THR 14 -4.001 -8.719 -4.870
98 HG22 THR 14 2HG2 THR 14 -3.150 -10.072 -4.110
99 HG23 THR 14 3HG2 THR 14 -2.432 -9.234 -5.481
100 H CYS 15 H CYS 15 -3.344 -8.792 -0.059
101 HA CYS 15 HA CYS 15 -1.800 -6.797 1.228
102 HB2 CYS 15 2HB CYS 15 -3.634 -8.136 2.309
103 HB3 CYS 15 1HB CYS 15 -2.563 -9.520 2.289
104 H GLU 16 H GLU 16 -1.054 -10.040 0.026
105 HA GLU 16 HA GLU 16 1.516 -10.073 1.248
106 HB2 GLU 16 2HB GLU 16 0.416 -11.725 -1.022
107 HB3 GLU 16 1HB GLU 16 1.994 -11.983 -0.294
108 HG2 GLU 16 2HG GLU 16 -0.663 -12.190 1.104
109 HG3 GLU 16 1HG GLU 16 0.362 -13.535 0.603
110 H GLU 17 H GLU 17 0.290 -8.827 -1.740
111 HA GLU 17 HA GLU 17 2.916 -8.368 -2.804
112 HB2 GLU 17 2HB GLU 17 0.231 -7.337 -3.693
113 HB3 GLU 17 1HB GLU 17 1.741 -6.956 -4.500
114 HG2 GLU 17 2HG GLU 17 0.557 -9.693 -4.161
115 HG3 GLU 17 1HG GLU 17 0.612 -8.751 -5.652
116 H ALA 18 H ALA 18 0.554 -6.570 -0.988
117 HA ALA 18 HA ALA 18 1.576 -3.987 -1.189
118 HB1 ALA 18 1HB ALA 18 -0.565 -4.527 -0.147
119 HB2 ALA 18 2HB ALA 18 0.443 -3.546 0.920
120 HB3 ALA 18 3HB ALA 18 0.281 -5.280 1.203
121 H LYS 19 H LYS 19 2.613 -6.682 0.670
122 HA LYS 19 HA LYS 19 4.365 -5.291 2.429
123 HB2 LYS 19 2HB LYS 19 4.232 -8.203 1.645
124 HB3 LYS 19 1HB LYS 19 5.193 -7.558 2.971
125 HG2 LYS 19 2HG LYS 19 3.225 -6.870 4.148
126 HG3 LYS 19 1HG LYS 19 2.204 -7.292 2.777
127 HD2 LYS 19 2HD LYS 19 2.808 -9.647 3.053
128 HD3 LYS 19 1HD LYS 19 3.847 -9.222 4.414
129 HE2 LYS 19 2HE LYS 19 1.930 -8.400 5.659
130 HE3 LYS 19 1HE LYS 19 0.875 -8.719 4.285
131 HZ1 LYS 19 1HZ LYS 19 0.793 -10.425 6.029
132 HZ2 LYS 19 2HZ LYS 19 2.404 -10.820 5.727
133 HZ3 LYS 19 3HZ LYS 19 1.232 -11.040 4.521
134 H LYS 20 H LYS 20 4.637 -6.577 -0.765
135 HA LYS 20 HA LYS 20 7.558 -6.432 -0.753
136 HB2 LYS 20 2HB LYS 20 6.589 -8.420 -1.722
137 HB3 LYS 20 1HB LYS 20 5.554 -7.464 -2.764
138 HG2 LYS 20 2HG LYS 20 7.469 -6.740 -4.055
139 HG3 LYS 20 1HG LYS 20 8.564 -7.584 -2.955
140 HD2 LYS 20 2HD LYS 20 7.578 -9.717 -3.558
141 HD3 LYS 20 1HD LYS 20 6.388 -8.907 -4.572
142 HE2 LYS 20 2HE LYS 20 9.368 -8.817 -5.017
143 HE3 LYS 20 1HE LYS 20 8.276 -9.930 -5.835
144 HZ1 LYS 20 1HZ LYS 20 7.107 -7.990 -6.740
145 HZ2 LYS 20 2HZ LYS 20 8.699 -8.086 -7.231
146 HZ3 LYS 20 3HZ LYS 20 8.274 -6.961 -6.058
147 H MET 21 H MET 21 4.741 -5.024 -2.265
148 HA MET 21 HA MET 21 6.126 -3.279 -3.991
149 HB2 MET 21 2HB MET 21 3.859 -4.013 -4.490
150 HB3 MET 21 1HB MET 21 3.275 -3.308 -2.996
151 HG2 MET 21 2HG MET 21 2.686 -1.923 -4.903
152 HG3 MET 21 1HG MET 21 3.785 -1.077 -3.819
153 HE1 MET 21 1HE MET 21 5.046 -2.889 -7.884
154 HE2 MET 21 2HE MET 21 3.406 -2.972 -7.240
155 HE3 MET 21 3HE MET 21 4.706 -3.884 -6.472
156 H LYS 22 H LYS 22 7.186 -1.642 -3.359
157 HA LYS 22 HA LYS 22 7.014 -0.480 -0.783
158 HB2 LYS 22 2HB LYS 22 8.529 1.300 -1.678
159 HB3 LYS 22 1HB LYS 22 9.118 -0.328 -1.966
160 HG2 LYS 22 2HG LYS 22 8.306 -0.197 -4.272
161 HG3 LYS 22 1HG LYS 22 7.737 1.434 -3.962
162 HD2 LYS 22 2HD LYS 22 10.060 2.118 -3.463
163 HD3 LYS 22 1HD LYS 22 10.593 0.485 -3.856
164 HE2 LYS 22 2HE LYS 22 10.895 2.015 -5.746
165 HE3 LYS 22 1HE LYS 22 9.761 0.719 -6.121
166 HZ1 LYS 22 1HZ LYS 22 8.996 3.473 -5.315
167 HZ2 LYS 22 2HZ LYS 22 7.941 2.234 -5.797
168 HZ3 LYS 22 3HZ LYS 22 9.024 2.895 -6.892
169 H LYS 23 H LYS 23 6.053 1.338 -0.078
170 HA LYS 23 HA LYS 23 3.608 2.014 -1.550
171 HB2 LYS 23 2HB LYS 23 4.293 2.742 1.283
172 HB3 LYS 23 1HB LYS 23 2.707 2.518 0.566
173 HG2 LYS 23 2HG LYS 23 3.019 0.123 0.488
174 HG3 LYS 23 1HG LYS 23 4.686 0.284 1.038
175 HD2 LYS 23 2HD LYS 23 3.699 1.434 3.100
176 HD3 LYS 23 1HD LYS 23 2.148 0.790 2.567
177 HE2 LYS 23 2HE LYS 23 4.622 -0.819 3.200
178 HE3 LYS 23 1HE LYS 23 3.214 -0.658 4.236
179 HZ1 LYS 23 1HZ LYS 23 3.282 -1.983 1.562
180 HZ2 LYS 23 2HZ LYS 23 1.900 -1.787 2.529
181 HZ3 LYS 23 3HZ LYS 23 3.182 -2.715 3.062
182 H ARG 24 H ARG 24 3.217 4.169 -2.214
183 HA ARG 24 HA ARG 24 4.850 6.302 -1.128
184 HB2 ARG 24 2HB ARG 24 6.212 5.411 -2.996
185 HB3 ARG 24 1HB ARG 24 4.880 5.723 -4.098
186 HG2 ARG 24 2HG ARG 24 5.065 8.103 -3.673
187 HG3 ARG 24 1HG ARG 24 6.360 7.818 -2.513
188 HD2 ARG 24 2HD ARG 24 7.698 6.811 -4.337
189 HD3 ARG 24 1HD ARG 24 6.409 7.231 -5.466
190 HE ARG 24 HE ARG 24 7.149 9.508 -4.047
191 HH11 ARG 24 1HH1 ARG 24 8.487 7.395 -6.543
192 HH12 ARG 24 2HH1 ARG 24 9.472 8.592 -7.250
193 HH21 ARG 24 1HH2 ARG 24 8.515 11.174 -5.011
194 HH22 ARG 24 2HH2 ARG 24 9.472 10.784 -6.355
195 H CYS 25 H CYS 25 3.944 8.339 -1.398
196 HA CYS 25 HA CYS 25 1.528 8.643 -2.945
197 HB2 CYS 25 2HB CYS 25 0.704 7.894 -0.754
198 HB3 CYS 25 1HB CYS 25 1.675 9.117 0.050
Start of MODEL 10
1 H1 CYS 1 1HT CYS 1 -5.691 -5.301 3.161
2 H2 CYS 1 2HT CYS 1 -6.448 -4.683 4.546
3 H3 CYS 1 3HT CYS 1 -5.587 -6.140 4.635
4 HA CYS 1 HA CYS 1 -4.494 -4.290 5.600
5 HB2 CYS 1 2HB CYS 1 -3.173 -5.508 3.171
6 HB3 CYS 1 1HB CYS 1 -2.311 -4.645 4.433
7 H SER 2 H SER 2 -4.399 -2.218 5.653
8 HA SER 2 HA SER 2 -4.888 -0.748 3.174
9 HB2 SER 2 2HB SER 2 -5.458 0.102 6.010
10 HB3 SER 2 1HB SER 2 -6.000 0.890 4.526
11 HG SER 2 HG SER 2 -6.633 -1.804 4.970
12 H TYR 3 H TYR 3 -4.087 1.562 3.396
13 HA TYR 3 HA TYR 3 -1.642 1.938 4.880
14 HB2 TYR 3 2HB TYR 3 -0.829 0.998 2.751
15 HB3 TYR 3 1HB TYR 3 -1.893 2.064 1.851
16 HD1 TYR 3 1HD TYR 3 1.087 2.071 4.094
17 HD2 TYR 3 2HD TYR 3 -1.116 4.157 1.107
18 HE1 TYR 3 1HE TYR 3 2.881 3.728 3.927
19 HE2 TYR 3 2HE TYR 3 0.663 5.808 0.925
20 HH TYR 3 HH TYR 3 2.501 6.684 2.538
21 H THR 4 H THR 4 -1.179 4.360 4.790
22 HA THR 4 HA THR 4 -3.507 5.830 3.856
23 HB THR 4 HB THR 4 -2.222 6.297 6.568
24 HG1 THR 4 1HG THR 4 -3.532 4.352 6.267
25 HG21 THR 4 1HG2 THR 4 -4.704 7.450 5.276
26 HG22 THR 4 2HG2 THR 4 -3.195 8.321 5.557
27 HG23 THR 4 3HG2 THR 4 -4.164 7.765 6.923
28 H CYS 5 H CYS 5 -2.996 7.441 2.626
29 HA CYS 5 HA CYS 5 -0.252 8.468 2.612
30 HB2 CYS 5 2HB CYS 5 -0.977 7.479 0.473
31 HB3 CYS 5 1HB CYS 5 -2.421 8.476 0.478
32 HA DPR 6 HA DPR 6 -1.701 12.596 3.722
33 HB2 DPR 6 1HB DPR 6 -0.998 11.517 6.418
34 HB3 DPR 6 2HB DPR 6 -0.519 13.059 5.688
35 HG2 DPR 6 1HG DPR 6 1.229 11.095 5.863
36 HG3 DPR 6 2HG DPR 6 1.119 12.041 4.366
37 HD2 DPR 6 1HD DPR 6 0.063 9.301 4.961
38 HD3 DPR 6 2HD DPR 6 0.853 9.927 3.496
39 HA PRO 7 HA PRO 7 -5.501 11.688 6.037
40 HB2 PRO 7 2HB PRO 7 -7.151 13.276 4.661
41 HB3 PRO 7 1HB PRO 7 -5.933 13.954 5.747
42 HG2 PRO 7 2HG PRO 7 -5.947 13.822 2.773
43 HG3 PRO 7 1HG PRO 7 -5.268 15.059 3.839
44 HD2 PRO 7 2HD PRO 7 -3.848 12.968 2.576
45 HD3 PRO 7 1HD PRO 7 -3.255 14.034 3.868
46 H GLN 8 H GLN 8 -4.653 10.829 2.902
47 HA GLN 8 HA GLN 8 -7.234 9.829 2.052
48 HB2 GLN 8 2HB GLN 8 -5.791 10.903 0.416
49 HB3 GLN 8 1HB GLN 8 -4.506 9.762 0.763
50 HG2 GLN 8 2HG GLN 8 -5.574 9.202 -1.336
51 HG3 GLN 8 1HG GLN 8 -5.891 7.947 -0.148
52 HE21 GLN 8 1HE2 GLN 8 -7.972 7.523 0.455
53 HE22 GLN 8 2HE2 GLN 8 -9.336 8.320 -0.219
54 H THR 9 H THR 9 -7.883 7.954 2.900
55 HA THR 9 HA THR 9 -6.086 5.909 3.746
56 HB THR 9 HB THR 9 -9.063 5.764 3.138
57 HG1 THR 9 1HG THR 9 -7.851 6.139 5.670
58 HG21 THR 9 1HG2 THR 9 -7.975 3.558 3.370
59 HG22 THR 9 2HG2 THR 9 -9.050 3.876 4.732
60 HG23 THR 9 3HG2 THR 9 -7.306 4.051 4.924
61 H TYR 10 H TYR 10 -5.264 4.309 2.688
62 HA TYR 10 HA TYR 10 -5.914 4.041 -0.144
63 HB2 TYR 10 2HB TYR 10 -3.766 5.246 0.432
64 HB3 TYR 10 1HB TYR 10 -3.232 3.773 1.221
65 HD1 TYR 10 1HD TYR 10 -4.221 5.226 -1.971
66 HD2 TYR 10 2HD TYR 10 -2.254 2.037 -0.035
67 HE1 TYR 10 1HE TYR 10 -3.304 4.475 -4.155
68 HE2 TYR 10 2HE TYR 10 -1.330 1.267 -2.173
69 HH TYR 10 HH TYR 10 -1.909 1.444 -4.519
70 H THR 11 H THR 11 -5.564 1.802 -0.873
71 HA THR 11 HA THR 11 -5.380 -0.166 1.264
72 HB THR 11 HB THR 11 -7.572 -0.136 -0.831
73 HG1 THR 11 1HG THR 11 -7.915 1.452 0.715
74 HG21 THR 11 1HG2 THR 11 -6.935 -2.391 -0.092
75 HG22 THR 11 2HG2 THR 11 -8.539 -1.966 0.509
76 HG23 THR 11 3HG2 THR 11 -7.144 -1.896 1.588
77 H PHE 12 H PHE 12 -4.561 -2.163 0.535
78 HA PHE 12 HA PHE 12 -3.507 -2.059 -2.195
79 HB2 PHE 12 2HB PHE 12 -1.936 -2.123 -0.038
80 HB3 PHE 12 1HB PHE 12 -2.414 -3.814 -0.048
81 HD1 PHE 12 1HD PHE 12 -0.737 -1.232 -2.017
82 HD2 PHE 12 2HD PHE 12 -1.570 -5.349 -1.545
83 HE1 PHE 12 1HE PHE 12 0.937 -1.754 -3.744
84 HE2 PHE 12 2HE PHE 12 0.099 -5.896 -3.284
85 HZ PHE 12 HZ PHE 12 1.348 -4.103 -4.377
86 HA PRO 13 HA PRO 13 -6.214 -5.539 -2.910
87 HB2 PRO 13 2HB PRO 13 -4.799 -6.777 -4.931
88 HB3 PRO 13 1HB PRO 13 -5.865 -5.391 -5.170
89 HG2 PRO 13 2HG PRO 13 -2.890 -5.464 -4.879
90 HG3 PRO 13 1HG PRO 13 -3.877 -4.498 -5.987
91 HD2 PRO 13 2HD PRO 13 -2.813 -3.446 -3.765
92 HD3 PRO 13 1HD PRO 13 -4.413 -2.946 -4.345
93 H THR 14 H THR 14 -2.803 -6.605 -3.245
94 HA THR 14 HA THR 14 -3.492 -9.008 -1.777
95 HB THR 14 HB THR 14 -0.871 -9.147 -2.800
96 HG1 THR 14 1HG THR 14 -0.961 -7.966 -4.642
97 HG21 THR 14 1HG2 THR 14 -2.441 -11.013 -2.631
98 HG22 THR 14 2HG2 THR 14 -1.906 -10.841 -4.304
99 HG23 THR 14 3HG2 THR 14 -3.495 -10.257 -3.820
100 H CYS 15 H CYS 15 -3.207 -8.717 0.329
101 HA CYS 15 HA CYS 15 -1.623 -6.812 1.570
102 HB2 CYS 15 2HB CYS 15 -3.463 -7.890 2.716
103 HB3 CYS 15 1HB CYS 15 -2.597 -9.424 2.709
104 H GLU 16 H GLU 16 -0.737 -10.156 0.761
105 HA GLU 16 HA GLU 16 1.680 -10.120 2.264
106 HB2 GLU 16 2HB GLU 16 2.278 -12.126 0.985
107 HB3 GLU 16 1HB GLU 16 0.644 -12.227 1.615
108 HG2 GLU 16 2HG GLU 16 -0.203 -11.572 -0.620
109 HG3 GLU 16 1HG GLU 16 1.453 -11.589 -1.208
110 H GLU 17 H GLU 17 0.778 -8.973 -0.789
111 HA GLU 17 HA GLU 17 3.459 -8.687 -1.829
112 HB2 GLU 17 2HB GLU 17 1.591 -9.314 -3.269
113 HB3 GLU 17 1HB GLU 17 0.748 -7.847 -2.826
114 HG2 GLU 17 2HG GLU 17 2.410 -6.518 -3.974
115 HG3 GLU 17 1HG GLU 17 3.320 -7.981 -4.374
116 H ALA 18 H ALA 18 1.022 -6.882 -0.176
117 HA ALA 18 HA ALA 18 1.761 -4.243 -0.651
118 HB1 ALA 18 1HB ALA 18 -0.287 -4.874 0.536
119 HB2 ALA 18 2HB ALA 18 0.645 -3.678 1.440
120 HB3 ALA 18 3HB ALA 18 0.676 -5.374 1.925
121 H LYS 19 H LYS 19 3.157 -6.575 1.544
122 HA LYS 19 HA LYS 19 4.802 -4.599 2.804
123 HB2 LYS 19 2HB LYS 19 4.633 -7.583 3.105
124 HB3 LYS 19 1HB LYS 19 5.995 -6.708 3.785
125 HG2 LYS 19 2HG LYS 19 4.292 -7.080 5.478
126 HG3 LYS 19 1HG LYS 19 4.452 -5.361 5.146
127 HD2 LYS 19 2HD LYS 19 2.454 -5.500 3.694
128 HD3 LYS 19 1HD LYS 19 2.289 -7.200 4.115
129 HE2 LYS 19 2HE LYS 19 2.180 -4.885 6.055
130 HE3 LYS 19 1HE LYS 19 0.787 -5.754 5.420
131 HZ1 LYS 19 1HZ LYS 19 2.912 -6.903 7.173
132 HZ2 LYS 19 2HZ LYS 19 1.679 -7.771 6.476
133 HZ3 LYS 19 3HZ LYS 19 1.311 -6.575 7.598
134 H LYS 20 H LYS 20 4.979 -5.974 -0.110
135 HA LYS 20 HA LYS 20 7.890 -5.698 -0.248
136 HB2 LYS 20 2HB LYS 20 7.214 -7.846 -1.066
137 HB3 LYS 20 1HB LYS 20 5.927 -7.147 -2.034
138 HG2 LYS 20 2HG LYS 20 7.785 -7.885 -3.424
139 HG3 LYS 20 1HG LYS 20 7.584 -6.138 -3.519
140 HD2 LYS 20 2HD LYS 20 9.414 -5.883 -1.877
141 HD3 LYS 20 1HD LYS 20 9.626 -7.632 -1.885
142 HE2 LYS 20 2HE LYS 20 9.918 -5.832 -4.301
143 HE3 LYS 20 1HE LYS 20 11.255 -6.448 -3.343
144 HZ1 LYS 20 1HZ LYS 20 10.548 -8.717 -3.973
145 HZ2 LYS 20 2HZ LYS 20 10.989 -7.762 -5.278
146 HZ3 LYS 20 3HZ LYS 20 9.364 -8.057 -4.998
147 H MET 21 H MET 21 4.896 -4.861 -1.956
148 HA MET 21 HA MET 21 6.171 -3.290 -3.868
149 HB2 MET 21 2HB MET 21 4.052 -4.427 -4.270
150 HB3 MET 21 1HB MET 21 3.266 -3.371 -3.108
151 HG2 MET 21 2HG MET 21 2.843 -2.674 -5.406
152 HG3 MET 21 1HG MET 21 3.728 -1.441 -4.506
153 HE1 MET 21 1HE MET 21 4.348 -0.256 -6.828
154 HE2 MET 21 2HE MET 21 3.484 -1.510 -7.715
155 HE3 MET 21 3HE MET 21 5.136 -1.088 -8.169
156 H LYS 22 H LYS 22 6.587 -1.410 -4.017
157 HA LYS 22 HA LYS 22 6.814 0.469 -1.927
158 HB2 LYS 22 2HB LYS 22 6.821 0.927 -4.911
159 HB3 LYS 22 1HB LYS 22 7.400 2.061 -3.704
160 HG2 LYS 22 2HG LYS 22 9.150 0.504 -3.059
161 HG3 LYS 22 1HG LYS 22 8.558 -0.658 -4.246
162 HD2 LYS 22 2HD LYS 22 9.016 0.901 -6.045
163 HD3 LYS 22 1HD LYS 22 9.536 2.117 -4.879
164 HE2 LYS 22 2HE LYS 22 10.850 -0.562 -5.295
165 HE3 LYS 22 1HE LYS 22 11.419 0.962 -5.973
166 HZ1 LYS 22 1HZ LYS 22 11.713 1.792 -3.718
167 HZ2 LYS 22 2HZ LYS 22 12.612 0.390 -3.979
168 HZ3 LYS 22 3HZ LYS 22 11.208 0.319 -3.080
169 H LYS 23 H LYS 23 5.548 2.233 -1.384
170 HA LYS 23 HA LYS 23 2.782 1.949 -2.155
171 HB2 LYS 23 2HB LYS 23 3.992 3.824 -0.129
172 HB3 LYS 23 1HB LYS 23 2.287 3.456 -0.331
173 HG2 LYS 23 2HG LYS 23 4.432 1.543 0.555
174 HG3 LYS 23 1HG LYS 23 3.193 2.277 1.575
175 HD2 LYS 23 2HD LYS 23 1.459 1.102 0.304
176 HD3 LYS 23 1HD LYS 23 2.697 0.389 -0.731
177 HE2 LYS 23 2HE LYS 23 2.417 -0.030 2.241
178 HE3 LYS 23 1HE LYS 23 1.967 -1.184 0.988
179 HZ1 LYS 23 1HZ LYS 23 4.081 -1.747 1.902
180 HZ2 LYS 23 2HZ LYS 23 4.726 -0.233 1.603
181 HZ3 LYS 23 3HZ LYS 23 4.336 -1.260 0.315
182 H ARG 24 H ARG 24 1.616 3.365 -3.269
183 HA ARG 24 HA ARG 24 3.080 5.454 -4.649
184 HB2 ARG 24 2HB ARG 24 1.863 3.871 -6.037
185 HB3 ARG 24 1HB ARG 24 0.382 4.198 -5.167
186 HG2 ARG 24 2HG ARG 24 0.399 5.215 -7.394
187 HG3 ARG 24 1HG ARG 24 0.267 6.420 -6.122
188 HD2 ARG 24 2HD ARG 24 2.953 5.742 -7.271
189 HD3 ARG 24 1HD ARG 24 1.865 6.813 -8.150
190 HE ARG 24 HE ARG 24 1.895 7.896 -5.702
191 HH11 ARG 24 1HH1 ARG 24 4.551 6.958 -7.863
192 HH12 ARG 24 2HH1 ARG 24 5.586 8.210 -7.351
193 HH21 ARG 24 1HH2 ARG 24 3.334 9.617 -5.013
194 HH22 ARG 24 2HH2 ARG 24 4.888 9.754 -5.697
195 H CYS 25 H CYS 25 3.219 6.955 -3.064
196 HA CYS 25 HA CYS 25 0.737 8.388 -2.496
197 HB2 CYS 25 2HB CYS 25 1.491 7.183 -0.463
198 HB3 CYS 25 1HB CYS 25 3.076 7.922 -0.607
Start of MODEL 11
1 H1 CYS 1 1HT CYS 1 -5.406 -5.352 4.575
2 H2 CYS 1 2HT CYS 1 -5.526 -4.542 6.059
3 H3 CYS 1 3HT CYS 1 -4.765 -6.051 5.963
4 HA CYS 1 HA CYS 1 -3.236 -4.195 6.131
5 HB2 CYS 1 2HB CYS 1 -3.140 -5.759 3.529
6 HB3 CYS 1 1HB CYS 1 -1.775 -4.956 4.277
7 H SER 2 H SER 2 -3.631 -2.105 5.994
8 HA SER 2 HA SER 2 -4.491 -1.043 3.419
9 HB2 SER 2 2HB SER 2 -6.083 -0.834 5.307
10 HB3 SER 2 1HB SER 2 -4.886 0.116 6.186
11 HG SER 2 HG SER 2 -6.680 0.926 4.523
12 H TYR 3 H TYR 3 -3.717 1.080 3.020
13 HA TYR 3 HA TYR 3 -1.080 1.694 4.121
14 HB2 TYR 3 2HB TYR 3 -0.631 0.728 1.985
15 HB3 TYR 3 1HB TYR 3 -1.953 1.598 1.222
16 HD1 TYR 3 1HD TYR 3 1.325 2.136 2.916
17 HD2 TYR 3 2HD TYR 3 -1.502 3.592 0.093
18 HE1 TYR 3 1HE TYR 3 2.876 3.898 2.269
19 HE2 TYR 3 2HE TYR 3 0.047 5.344 -0.570
20 HH TYR 3 HH TYR 3 1.960 6.565 0.361
21 H THR 4 H THR 4 -0.654 3.923 4.256
22 HA THR 4 HA THR 4 -3.034 5.578 3.890
23 HB THR 4 HB THR 4 -0.900 5.896 6.001
24 HG1 THR 4 1HG THR 4 -3.166 4.360 5.792
25 HG21 THR 4 1HG2 THR 4 -2.101 7.969 5.388
26 HG22 THR 4 2HG2 THR 4 -2.533 7.435 7.014
27 HG23 THR 4 3HG2 THR 4 -3.635 7.145 5.667
28 H CYS 5 H CYS 5 -2.787 7.121 2.449
29 HA CYS 5 HA CYS 5 -0.125 8.275 2.103
30 HB2 CYS 5 2HB CYS 5 -0.968 6.799 0.151
31 HB3 CYS 5 1HB CYS 5 -2.191 8.016 -0.089
32 HA DPR 6 HA DPR 6 -2.082 12.282 2.589
33 HB2 DPR 6 1HB DPR 6 -1.489 11.645 5.444
34 HB3 DPR 6 2HB DPR 6 -1.122 13.132 4.550
35 HG2 DPR 6 1HG DPR 6 0.813 11.428 5.092
36 HG3 DPR 6 2HG DPR 6 0.706 12.127 3.464
37 HD2 DPR 6 1HD DPR 6 -0.130 9.410 4.420
38 HD3 DPR 6 2HD DPR 6 0.735 9.881 2.939
39 HA PRO 7 HA PRO 7 -5.913 11.374 4.853
40 HB2 PRO 7 2HB PRO 7 -7.590 12.673 3.240
41 HB3 PRO 7 1HB PRO 7 -6.493 13.554 4.310
42 HG2 PRO 7 2HG PRO 7 -6.280 13.055 1.376
43 HG3 PRO 7 1HG PRO 7 -5.855 14.502 2.302
44 HD2 PRO 7 2HD PRO 7 -4.071 12.539 1.439
45 HD3 PRO 7 1HD PRO 7 -3.750 13.731 2.719
46 H GLN 8 H GLN 8 -4.723 10.106 2.063
47 HA GLN 8 HA GLN 8 -7.165 8.785 1.189
48 HB2 GLN 8 2HB GLN 8 -4.349 8.680 0.098
49 HB3 GLN 8 1HB GLN 8 -5.729 7.855 -0.604
50 HG2 GLN 8 2HG GLN 8 -6.776 9.978 -1.109
51 HG3 GLN 8 1HG GLN 8 -5.458 10.841 -0.315
52 HE21 GLN 8 1HE2 GLN 8 -3.454 10.962 -1.341
53 HE22 GLN 8 2HE2 GLN 8 -3.256 10.629 -3.009
54 H THR 9 H THR 9 -7.717 6.982 2.197
55 HA THR 9 HA THR 9 -5.646 5.252 3.308
56 HB THR 9 HB THR 9 -8.668 5.170 3.651
57 HG1 THR 9 1HG THR 9 -6.903 6.816 4.712
58 HG21 THR 9 1HG2 THR 9 -8.196 3.617 5.499
59 HG22 THR 9 2HG2 THR 9 -6.472 3.717 5.150
60 HG23 THR 9 3HG2 THR 9 -7.565 2.982 3.980
61 H TYR 10 H TYR 10 -4.923 3.786 2.108
62 HA TYR 10 HA TYR 10 -6.394 3.008 -0.282
63 HB2 TYR 10 2HB TYR 10 -4.075 4.058 -0.312
64 HB3 TYR 10 1HB TYR 10 -3.504 2.564 0.406
65 HD1 TYR 10 1HD TYR 10 -4.458 4.248 -2.505
66 HD2 TYR 10 2HD TYR 10 -3.781 0.424 -0.900
67 HE1 TYR 10 1HE TYR 10 -4.284 3.336 -4.815
68 HE2 TYR 10 2HE TYR 10 -3.584 -0.543 -3.168
69 HH TYR 10 HH TYR 10 -4.295 -0.002 -5.458
70 H THR 11 H THR 11 -7.442 1.113 -0.038
71 HA THR 11 HA THR 11 -6.470 -0.891 1.826
72 HB THR 11 HB THR 11 -8.866 -0.998 -0.033
73 HG1 THR 11 1HG THR 11 -8.688 -0.129 2.660
74 HG21 THR 11 1HG2 THR 11 -8.160 -3.145 0.970
75 HG22 THR 11 2HG2 THR 11 -9.715 -2.617 1.615
76 HG23 THR 11 3HG2 THR 11 -8.247 -2.415 2.572
77 H PHE 12 H PHE 12 -5.282 -2.576 1.197
78 HA PHE 12 HA PHE 12 -4.838 -2.787 -1.673
79 HB2 PHE 12 2HB PHE 12 -2.954 -2.306 0.140
80 HB3 PHE 12 1HB PHE 12 -3.070 -4.051 0.363
81 HD1 PHE 12 1HD PHE 12 -2.771 -5.517 -1.592
82 HD2 PHE 12 2HD PHE 12 -1.719 -1.432 -1.635
83 HE1 PHE 12 1HE PHE 12 -1.353 -5.918 -3.579
84 HE2 PHE 12 2HE PHE 12 -0.278 -1.801 -3.598
85 HZ PHE 12 HZ PHE 12 -0.099 -4.050 -4.578
86 HA PRO 13 HA PRO 13 -7.211 -6.574 -1.523
87 HB2 PRO 13 2HB PRO 13 -6.017 -7.759 -3.739
88 HB3 PRO 13 1HB PRO 13 -7.402 -6.671 -3.782
89 HG2 PRO 13 2HG PRO 13 -4.516 -6.091 -4.267
90 HG3 PRO 13 1HG PRO 13 -5.944 -5.420 -5.072
91 HD2 PRO 13 2HD PRO 13 -4.571 -4.028 -3.256
92 HD3 PRO 13 1HD PRO 13 -6.342 -3.904 -3.364
93 H THR 14 H THR 14 -3.790 -7.155 -2.449
94 HA THR 14 HA THR 14 -3.837 -9.572 -0.839
95 HB THR 14 HB THR 14 -1.688 -9.942 -2.259
96 HG1 THR 14 1HG THR 14 -1.762 -8.815 -4.227
97 HG21 THR 14 1HG2 THR 14 -3.036 -10.862 -4.105
98 HG22 THR 14 2HG2 THR 14 -4.427 -9.932 -3.545
99 HG23 THR 14 3HG2 THR 14 -3.771 -11.226 -2.544
100 H CYS 15 H CYS 15 -2.786 -9.499 1.071
101 HA CYS 15 HA CYS 15 -1.421 -7.168 1.859
102 HB2 CYS 15 2HB CYS 15 -2.690 -8.726 3.384
103 HB3 CYS 15 1HB CYS 15 -1.308 -9.817 3.286
104 H GLU 16 H GLU 16 -0.286 -10.235 0.613
105 HA GLU 16 HA GLU 16 2.430 -9.985 1.233
106 HB2 GLU 16 2HB GLU 16 1.055 -11.313 -1.104
107 HB3 GLU 16 1HB GLU 16 2.788 -11.371 -0.878
108 HG2 GLU 16 2HG GLU 16 1.678 -13.414 -0.108
109 HG3 GLU 16 1HG GLU 16 2.524 -12.592 1.194
110 H GLU 17 H GLU 17 0.529 -8.679 -1.414
111 HA GLU 17 HA GLU 17 2.826 -7.515 -2.627
112 HB2 GLU 17 2HB GLU 17 -0.091 -7.419 -3.229
113 HB3 GLU 17 1HB GLU 17 1.063 -6.421 -4.117
114 HG2 GLU 17 2HG GLU 17 2.181 -8.347 -4.932
115 HG3 GLU 17 1HG GLU 17 1.263 -9.399 -3.857
116 H ALA 18 H ALA 18 0.315 -6.505 -0.446
117 HA ALA 18 HA ALA 18 0.564 -3.729 -0.564
118 HB1 ALA 18 1HB ALA 18 -0.339 -3.695 1.698
119 HB2 ALA 18 2HB ALA 18 0.062 -5.399 1.897
120 HB3 ALA 18 3HB ALA 18 -1.168 -4.919 0.729
121 H LYS 19 H LYS 19 2.497 -6.107 1.078
122 HA LYS 19 HA LYS 19 4.197 -4.084 2.292
123 HB2 LYS 19 2HB LYS 19 4.255 -7.091 2.460
124 HB3 LYS 19 1HB LYS 19 5.309 -6.015 3.370
125 HG2 LYS 19 2HG LYS 19 3.367 -5.055 4.502
126 HG3 LYS 19 1HG LYS 19 2.303 -6.109 3.575
127 HD2 LYS 19 2HD LYS 19 4.451 -7.055 5.474
128 HD3 LYS 19 1HD LYS 19 2.738 -6.930 5.871
129 HE2 LYS 19 2HE LYS 19 2.217 -8.557 4.112
130 HE3 LYS 19 1HE LYS 19 3.928 -8.679 3.714
131 HZ1 LYS 19 1HZ LYS 19 2.708 -9.412 6.318
132 HZ2 LYS 19 2HZ LYS 19 4.349 -9.553 5.922
133 HZ3 LYS 19 3HZ LYS 19 3.203 -10.476 5.128
134 H LYS 20 H LYS 20 4.002 -5.501 -0.630
135 HA LYS 20 HA LYS 20 6.890 -5.812 -1.049
136 HB2 LYS 20 2HB LYS 20 5.491 -7.680 -1.761
137 HB3 LYS 20 1HB LYS 20 4.496 -6.570 -2.687
138 HG2 LYS 20 2HG LYS 20 6.311 -6.162 -4.225
139 HG3 LYS 20 1HG LYS 20 7.368 -7.219 -3.282
140 HD2 LYS 20 2HD LYS 20 5.927 -9.117 -3.719
141 HD3 LYS 20 1HD LYS 20 4.774 -8.081 -4.554
142 HE2 LYS 20 2HE LYS 20 6.204 -9.384 -6.078
143 HE3 LYS 20 1HE LYS 20 6.353 -7.643 -6.309
144 HZ1 LYS 20 1HZ LYS 20 8.262 -9.334 -4.769
145 HZ2 LYS 20 2HZ LYS 20 8.439 -7.691 -5.114
146 HZ3 LYS 20 3HZ LYS 20 8.484 -8.811 -6.341
147 H MET 21 H MET 21 4.019 -4.373 -2.520
148 HA MET 21 HA MET 21 5.502 -2.731 -4.323
149 HB2 MET 21 2HB MET 21 3.307 -3.639 -4.945
150 HB3 MET 21 1HB MET 21 2.561 -2.795 -3.599
151 HG2 MET 21 2HG MET 21 2.167 -1.709 -5.752
152 HG3 MET 21 1HG MET 21 3.016 -0.662 -4.620
153 HE1 MET 21 1HE MET 21 3.707 0.934 -6.658
154 HE2 MET 21 2HE MET 21 2.891 -0.114 -7.822
155 HE3 MET 21 3HE MET 21 4.556 0.385 -8.103
156 H LYS 22 H LYS 22 6.568 -1.105 -3.546
157 HA LYS 22 HA LYS 22 5.699 0.228 -1.131
158 HB2 LYS 22 2HB LYS 22 8.048 -0.428 -1.409
159 HB3 LYS 22 1HB LYS 22 8.185 0.650 -2.789
160 HG2 LYS 22 2HG LYS 22 7.710 2.567 -1.336
161 HG3 LYS 22 1HG LYS 22 7.577 1.482 0.044
162 HD2 LYS 22 2HD LYS 22 10.052 1.901 -1.638
163 HD3 LYS 22 1HD LYS 22 9.754 2.576 -0.036
164 HE2 LYS 22 2HE LYS 22 9.600 0.273 0.866
165 HE3 LYS 22 1HE LYS 22 9.987 -0.344 -0.740
166 HZ1 LYS 22 1HZ LYS 22 12.116 0.807 -0.616
167 HZ2 LYS 22 2HZ LYS 22 11.923 -0.300 0.632
168 HZ3 LYS 22 3HZ LYS 22 11.734 1.350 0.938
169 H LYS 23 H LYS 23 4.645 2.034 -1.108
170 HA LYS 23 HA LYS 23 4.384 3.594 -3.573
171 HB2 LYS 23 2HB LYS 23 2.566 3.280 -1.187
172 HB3 LYS 23 1HB LYS 23 2.294 4.428 -2.484
173 HG2 LYS 23 2HG LYS 23 1.946 2.671 -4.064
174 HG3 LYS 23 1HG LYS 23 2.468 1.452 -2.897
175 HD2 LYS 23 2HD LYS 23 0.571 1.870 -1.510
176 HD3 LYS 23 1HD LYS 23 0.099 3.261 -2.472
177 HE2 LYS 23 2HE LYS 23 0.193 0.420 -3.460
178 HE3 LYS 23 1HE LYS 23 -1.263 1.235 -2.897
179 HZ1 LYS 23 1HZ LYS 23 -1.103 1.288 -5.300
180 HZ2 LYS 23 2HZ LYS 23 0.379 2.038 -5.252
181 HZ3 LYS 23 3HZ LYS 23 -0.986 2.855 -4.708
182 H ARG 24 H ARG 24 4.308 5.943 -3.244
183 HA ARG 24 HA ARG 24 5.432 6.880 -0.736
184 HB2 ARG 24 2HB ARG 24 7.325 6.334 -2.279
185 HB3 ARG 24 1HB ARG 24 6.648 7.445 -3.452
186 HG2 ARG 24 2HG ARG 24 7.088 9.318 -1.996
187 HG3 ARG 24 1HG ARG 24 7.637 8.226 -0.719
188 HD2 ARG 24 2HD ARG 24 9.525 9.220 -1.937
189 HD3 ARG 24 1HD ARG 24 9.475 7.467 -2.120
190 HE ARG 24 HE ARG 24 8.346 9.249 -4.147
191 HH11 ARG 24 1HH1 ARG 24 10.658 6.685 -3.324
192 HH12 ARG 24 2HH1 ARG 24 11.073 6.370 -4.952
193 HH21 ARG 24 1HH2 ARG 24 8.937 8.771 -6.364
194 HH22 ARG 24 2HH2 ARG 24 10.098 7.556 -6.681
195 H CYS 25 H CYS 25 4.970 9.127 -0.406
196 HA CYS 25 HA CYS 25 2.879 10.116 -2.194
197 HB2 CYS 25 2HB CYS 25 3.143 10.593 0.783
198 HB3 CYS 25 1HB CYS 25 1.802 11.079 -0.251
Start of MODEL 12
1 H1 CYS 1 1HT CYS 1 -3.562 -5.282 5.719
2 H2 CYS 1 2HT CYS 1 -2.761 -4.409 6.916
3 H3 CYS 1 3HT CYS 1 -2.012 -5.748 6.215
4 HA CYS 1 HA CYS 1 -1.144 -3.675 5.469
5 HB2 CYS 1 2HB CYS 1 -2.527 -5.434 3.471
6 HB3 CYS 1 1HB CYS 1 -1.514 -4.093 2.963
7 H SER 2 H SER 2 -2.066 -1.855 6.231
8 HA SER 2 HA SER 2 -3.861 -0.609 4.337
9 HB2 SER 2 2HB SER 2 -5.156 -1.107 6.328
10 HB3 SER 2 1HB SER 2 -3.945 -0.331 7.368
11 HG SER 2 HG SER 2 -6.049 0.733 6.104
12 H TYR 3 H TYR 3 -3.417 1.536 4.107
13 HA TYR 3 HA TYR 3 -0.935 2.546 5.236
14 HB2 TYR 3 2HB TYR 3 -0.205 1.291 3.279
15 HB3 TYR 3 1HB TYR 3 -1.387 2.093 2.266
16 HD1 TYR 3 1HD TYR 3 -0.750 3.976 1.057
17 HD2 TYR 3 2HD TYR 3 1.567 2.777 4.414
18 HE1 TYR 3 1HE TYR 3 0.864 5.681 0.518
19 HE2 TYR 3 2HE TYR 3 3.223 4.492 3.889
20 HH TYR 3 HH TYR 3 3.974 5.797 1.947
21 H THR 4 H THR 4 -0.673 4.926 4.585
22 HA THR 4 HA THR 4 -3.268 6.080 3.911
23 HB THR 4 HB THR 4 -1.431 7.211 6.030
24 HG1 THR 4 1HG THR 4 -2.240 5.175 6.654
25 HG21 THR 4 1HG2 THR 4 -4.345 7.701 5.363
26 HG22 THR 4 2HG2 THR 4 -3.010 8.785 4.975
27 HG23 THR 4 3HG2 THR 4 -3.440 8.482 6.659
28 H CYS 5 H CYS 5 -3.067 7.302 2.171
29 HA CYS 5 HA CYS 5 -0.582 8.837 1.771
30 HB2 CYS 5 2HB CYS 5 -0.931 7.198 -0.045
31 HB3 CYS 5 1HB CYS 5 -2.548 7.826 -0.322
32 HA DPR 6 HA DPR 6 -2.872 12.653 1.776
33 HB2 DPR 6 1HB DPR 6 -2.338 12.409 4.693
34 HB3 DPR 6 2HB DPR 6 -2.044 13.800 3.633
35 HG2 DPR 6 1HG DPR 6 -0.031 12.320 4.441
36 HG3 DPR 6 2HG DPR 6 -0.113 12.821 2.742
37 HD2 DPR 6 1HD DPR 6 -0.768 10.171 3.978
38 HD3 DPR 6 2HD DPR 6 0.091 10.548 2.467
39 HA PRO 7 HA PRO 7 -6.755 11.894 3.975
40 HB2 PRO 7 2HB PRO 7 -8.424 12.593 2.017
41 HB3 PRO 7 1HB PRO 7 -7.410 13.805 2.808
42 HG2 PRO 7 2HG PRO 7 -7.053 12.479 0.153
43 HG3 PRO 7 1HG PRO 7 -6.768 14.167 0.607
44 HD2 PRO 7 2HD PRO 7 -4.805 12.201 0.409
45 HD3 PRO 7 1HD PRO 7 -4.647 13.727 1.299
46 H GLN 8 H GLN 8 -5.399 10.085 1.523
47 HA GLN 8 HA GLN 8 -7.731 8.416 0.975
48 HB2 GLN 8 2HB GLN 8 -4.935 8.251 -0.134
49 HB3 GLN 8 1HB GLN 8 -6.343 7.381 -0.711
50 HG2 GLN 8 2HG GLN 8 -7.340 9.436 -1.479
51 HG3 GLN 8 1HG GLN 8 -6.004 10.368 -0.800
52 HE21 GLN 8 1HE2 GLN 8 -6.904 10.222 -3.547
53 HE22 GLN 8 2HE2 GLN 8 -5.556 9.667 -4.469
54 H THR 9 H THR 9 -8.040 6.831 2.452
55 HA THR 9 HA THR 9 -5.795 5.566 3.759
56 HB THR 9 HB THR 9 -8.680 4.626 3.714
57 HG1 THR 9 1HG THR 9 -7.486 6.511 5.487
58 HG21 THR 9 1HG2 THR 9 -8.099 3.758 5.948
59 HG22 THR 9 2HG2 THR 9 -6.475 4.422 5.781
60 HG23 THR 9 3HG2 THR 9 -7.007 3.122 4.718
61 H TYR 10 H TYR 10 -4.626 4.227 2.728
62 HA TYR 10 HA TYR 10 -5.613 3.261 0.219
63 HB2 TYR 10 2HB TYR 10 -3.439 4.476 0.383
64 HB3 TYR 10 1HB TYR 10 -2.810 3.126 1.309
65 HD1 TYR 10 1HD TYR 10 -1.851 1.341 0.205
66 HD2 TYR 10 2HD TYR 10 -4.455 3.938 -1.847
67 HE1 TYR 10 1HE TYR 10 -1.321 0.168 -1.894
68 HE2 TYR 10 2HE TYR 10 -3.954 2.803 -3.984
69 HH TYR 10 HH TYR 10 -2.243 1.422 -4.962
70 H THR 11 H THR 11 -6.605 1.462 0.263
71 HA THR 11 HA THR 11 -5.558 -0.764 1.844
72 HB THR 11 HB THR 11 -7.931 -1.689 1.405
73 HG1 THR 11 1HG THR 11 -8.320 0.085 -0.149
74 HG21 THR 11 1HG2 THR 11 -8.867 -0.484 3.339
75 HG22 THR 11 2HG2 THR 11 -7.596 0.730 3.188
76 HG23 THR 11 3HG2 THR 11 -7.181 -0.929 3.614
77 H PHE 12 H PHE 12 -4.610 -2.251 0.791
78 HA PHE 12 HA PHE 12 -4.877 -2.256 -2.117
79 HB2 PHE 12 2HB PHE 12 -2.631 -1.882 -0.894
80 HB3 PHE 12 1HB PHE 12 -2.755 -3.593 -0.483
81 HD1 PHE 12 1HD PHE 12 -2.527 -1.228 -3.245
82 HD2 PHE 12 2HD PHE 12 -2.162 -5.245 -2.016
83 HE1 PHE 12 1HE PHE 12 -1.492 -1.778 -5.423
84 HE2 PHE 12 2HE PHE 12 -1.130 -5.824 -4.198
85 HZ PHE 12 HZ PHE 12 -0.796 -4.088 -5.891
86 HA PRO 13 HA PRO 13 -7.269 -5.996 -2.104
87 HB2 PRO 13 2HB PRO 13 -5.321 -6.814 -4.221
88 HB3 PRO 13 1HB PRO 13 -7.086 -6.922 -4.222
89 HG2 PRO 13 2HG PRO 13 -5.881 -4.978 -5.555
90 HG3 PRO 13 1HG PRO 13 -7.357 -4.655 -4.633
91 HD2 PRO 13 2HD PRO 13 -4.535 -3.922 -3.980
92 HD3 PRO 13 1HD PRO 13 -6.055 -3.078 -3.612
93 H THR 14 H THR 14 -3.878 -6.940 -2.820
94 HA THR 14 HA THR 14 -4.222 -9.116 -0.878
95 HB THR 14 HB THR 14 -1.906 -8.866 -2.747
96 HG1 THR 14 1HG THR 14 -4.602 -9.489 -3.304
97 HG21 THR 14 1HG2 THR 14 -3.401 -11.215 -1.573
98 HG22 THR 14 2HG2 THR 14 -1.803 -10.625 -1.098
99 HG23 THR 14 3HG2 THR 14 -2.043 -11.339 -2.689
100 H CYS 15 H CYS 15 -3.084 -9.038 0.973
101 HA CYS 15 HA CYS 15 -1.630 -6.729 1.663
102 HB2 CYS 15 2HB CYS 15 -2.945 -8.019 3.300
103 HB3 CYS 15 1HB CYS 15 -1.868 -9.386 3.105
104 H GLU 16 H GLU 16 -0.640 -9.979 0.638
105 HA GLU 16 HA GLU 16 2.106 -9.560 1.300
106 HB2 GLU 16 2HB GLU 16 0.756 -11.587 -0.449
107 HB3 GLU 16 1HB GLU 16 2.508 -11.501 -0.328
108 HG2 GLU 16 2HG GLU 16 0.587 -11.967 1.938
109 HG3 GLU 16 1HG GLU 16 1.628 -13.176 1.178
110 H GLU 17 H GLU 17 0.222 -8.868 -1.459
111 HA GLU 17 HA GLU 17 2.393 -8.173 -3.164
112 HB2 GLU 17 2HB GLU 17 -0.526 -7.445 -3.195
113 HB3 GLU 17 1HB GLU 17 0.605 -7.043 -4.485
114 HG2 GLU 17 2HG GLU 17 0.003 -9.840 -3.574
115 HG3 GLU 17 1HG GLU 17 -0.795 -9.055 -4.934
116 H ALA 18 H ALA 18 0.222 -6.470 -0.976
117 HA ALA 18 HA ALA 18 1.043 -3.842 -1.483
118 HB1 ALA 18 1HB ALA 18 0.014 -4.967 1.111
119 HB2 ALA 18 2HB ALA 18 -0.984 -4.463 -0.246
120 HB3 ALA 18 3HB ALA 18 -0.003 -3.270 0.618
121 H LYS 19 H LYS 19 2.357 -6.319 0.524
122 HA LYS 19 HA LYS 19 4.198 -4.681 1.943
123 HB2 LYS 19 2HB LYS 19 3.936 -7.649 1.553
124 HB3 LYS 19 1HB LYS 19 5.190 -6.923 2.548
125 HG2 LYS 19 2HG LYS 19 3.620 -6.057 4.078
126 HG3 LYS 19 1HG LYS 19 2.275 -6.364 2.984
127 HD2 LYS 19 2HD LYS 19 2.394 -7.975 4.862
128 HD3 LYS 19 1HD LYS 19 2.517 -8.747 3.286
129 HE2 LYS 19 2HE LYS 19 4.907 -8.917 3.527
130 HE3 LYS 19 1HE LYS 19 4.850 -8.059 5.064
131 HZ1 LYS 19 1HZ LYS 19 3.600 -9.861 6.001
132 HZ2 LYS 19 2HZ LYS 19 4.989 -10.501 5.309
133 HZ3 LYS 19 3HZ LYS 19 3.494 -10.641 4.514
134 H LYS 20 H LYS 20 4.196 -6.051 -1.195
135 HA LYS 20 HA LYS 20 7.091 -5.751 -1.342
136 HB2 LYS 20 2HB LYS 20 6.136 -7.881 -2.208
137 HB3 LYS 20 1HB LYS 20 5.233 -6.958 -3.405
138 HG2 LYS 20 2HG LYS 20 7.333 -6.139 -4.358
139 HG3 LYS 20 1HG LYS 20 8.224 -7.066 -3.156
140 HD2 LYS 20 2HD LYS 20 7.284 -9.135 -4.067
141 HD3 LYS 20 1HD LYS 20 6.412 -8.193 -5.282
142 HE2 LYS 20 2HE LYS 20 8.461 -9.108 -6.227
143 HE3 LYS 20 1HE LYS 20 8.536 -7.352 -6.154
144 HZ1 LYS 20 1HZ LYS 20 9.828 -9.225 -4.240
145 HZ2 LYS 20 2HZ LYS 20 9.903 -7.555 -4.120
146 HZ3 LYS 20 3HZ LYS 20 10.613 -8.336 -5.421
147 H MET 21 H MET 21 4.090 -4.656 -2.762
148 HA MET 21 HA MET 21 5.241 -2.840 -4.637
149 HB2 MET 21 2HB MET 21 2.926 -3.852 -4.768
150 HB3 MET 21 1HB MET 21 2.459 -2.806 -3.441
151 HG2 MET 21 2HG MET 21 1.715 -1.889 -5.532
152 HG3 MET 21 1HG MET 21 2.948 -0.843 -4.831
153 HE1 MET 21 1HE MET 21 3.218 0.374 -7.181
154 HE2 MET 21 2HE MET 21 1.987 -0.681 -7.871
155 HE3 MET 21 3HE MET 21 3.534 -0.477 -8.694
156 H LYS 22 H LYS 22 6.573 -1.389 -3.782
157 HA LYS 22 HA LYS 22 6.404 -0.328 -1.211
158 HB2 LYS 22 2HB LYS 22 8.020 0.589 -3.591
159 HB3 LYS 22 1HB LYS 22 8.262 1.161 -1.943
160 HG2 LYS 22 2HG LYS 22 8.786 -1.095 -1.209
161 HG3 LYS 22 1HG LYS 22 8.484 -1.706 -2.831
162 HD2 LYS 22 2HD LYS 22 10.355 -0.331 -3.665
163 HD3 LYS 22 1HD LYS 22 10.657 0.220 -2.015
164 HE2 LYS 22 2HE LYS 22 11.090 -2.065 -1.299
165 HE3 LYS 22 1HE LYS 22 10.721 -2.657 -2.916
166 HZ1 LYS 22 1HZ LYS 22 13.092 -2.514 -2.542
167 HZ2 LYS 22 2HZ LYS 22 12.997 -0.871 -2.215
168 HZ3 LYS 22 3HZ LYS 22 12.633 -1.458 -3.753
169 H LYS 23 H LYS 23 6.094 1.845 -0.510
170 HA LYS 23 HA LYS 23 4.283 3.383 -2.238
171 HB2 LYS 23 2HB LYS 23 3.568 2.931 0.642
172 HB3 LYS 23 1HB LYS 23 2.547 3.469 -0.674
173 HG2 LYS 23 2HG LYS 23 2.655 1.208 -1.651
174 HG3 LYS 23 1HG LYS 23 3.617 0.689 -0.274
175 HD2 LYS 23 2HD LYS 23 1.697 1.443 1.180
176 HD3 LYS 23 1HD LYS 23 0.759 1.606 -0.307
177 HE2 LYS 23 2HE LYS 23 2.018 -0.892 0.805
178 HE3 LYS 23 1HE LYS 23 0.303 -0.544 0.604
179 HZ1 LYS 23 1HZ LYS 23 1.036 -1.988 -1.131
180 HZ2 LYS 23 2HZ LYS 23 2.305 -0.967 -1.526
181 HZ3 LYS 23 3HZ LYS 23 0.715 -0.477 -1.824
182 H ARG 24 H ARG 24 5.088 5.393 -2.261
183 HA ARG 24 HA ARG 24 6.437 6.442 0.119
184 HB2 ARG 24 2HB ARG 24 7.536 6.838 -2.098
185 HB3 ARG 24 1HB ARG 24 6.106 7.719 -2.620
186 HG2 ARG 24 2HG ARG 24 6.473 9.399 -0.926
187 HG3 ARG 24 1HG ARG 24 7.856 8.505 -0.307
188 HD2 ARG 24 2HD ARG 24 9.012 8.826 -2.429
189 HD3 ARG 24 1HD ARG 24 7.618 9.714 -3.056
190 HE ARG 24 HE ARG 24 8.286 10.947 -0.714
191 HH11 ARG 24 1HH1 ARG 24 10.039 10.289 -3.727
192 HH12 ARG 24 2HH1 ARG 24 10.936 11.739 -3.671
193 HH21 ARG 24 1HH2 ARG 24 9.536 12.960 -0.675
194 HH22 ARG 24 2HH2 ARG 24 10.664 13.241 -1.920
195 H CYS 25 H CYS 25 3.660 6.668 -1.833
196 HA CYS 25 HA CYS 25 1.897 7.418 0.082
197 HB2 CYS 25 2HB CYS 25 3.078 9.754 -0.340
198 HB3 CYS 25 1HB CYS 25 2.301 9.663 -1.914
Start of MODEL 13
1 H1 CYS 1 1HT CYS 1 -5.112 -4.587 5.531
2 H2 CYS 1 2HT CYS 1 -4.050 -5.900 5.602
3 H3 CYS 1 3HT CYS 1 -4.598 -5.299 4.109
4 HA CYS 1 HA CYS 1 -2.990 -3.799 6.009
5 HB2 CYS 1 2HB CYS 1 -2.180 -5.215 3.462
6 HB3 CYS 1 1HB CYS 1 -1.160 -4.095 4.339
7 H SER 2 H SER 2 -3.976 -1.882 5.884
8 HA SER 2 HA SER 2 -4.054 -0.636 3.242
9 HB2 SER 2 2HB SER 2 -5.840 -0.065 5.616
10 HB3 SER 2 1HB SER 2 -5.917 0.723 4.044
11 HG SER 2 HG SER 2 -6.132 -2.077 4.249
12 H TYR 3 H TYR 3 -3.353 1.468 3.173
13 HA TYR 3 HA TYR 3 -1.782 2.445 5.457
14 HB2 TYR 3 2HB TYR 3 -0.236 1.611 3.821
15 HB3 TYR 3 1HB TYR 3 -1.169 2.277 2.496
16 HD1 TYR 3 1HD TYR 3 -0.480 4.245 1.524
17 HD2 TYR 3 2HD TYR 3 0.838 3.357 5.470
18 HE1 TYR 3 1HE TYR 3 0.948 6.202 1.468
19 HE2 TYR 3 2HE TYR 3 2.280 5.339 5.426
20 HH TYR 3 HH TYR 3 2.038 7.766 3.136
21 H THR 4 H THR 4 -1.657 4.884 5.434
22 HA THR 4 HA THR 4 -3.826 5.990 3.843
23 HB THR 4 HB THR 4 -3.124 6.800 6.678
24 HG1 THR 4 1HG THR 4 -4.390 5.104 7.019
25 HG21 THR 4 1HG2 THR 4 -3.939 8.692 5.313
26 HG22 THR 4 2HG2 THR 4 -5.123 8.229 6.535
27 HG23 THR 4 3HG2 THR 4 -5.355 7.745 4.853
28 H CYS 5 H CYS 5 -3.196 7.401 2.457
29 HA CYS 5 HA CYS 5 -0.627 8.728 2.853
30 HB2 CYS 5 2HB CYS 5 -0.861 7.296 0.811
31 HB3 CYS 5 1HB CYS 5 -2.191 8.327 0.291
32 HA DPR 6 HA DPR 6 -2.575 12.769 2.508
33 HB2 DPR 6 1HB DPR 6 -1.896 12.753 5.408
34 HB3 DPR 6 2HB DPR 6 -1.503 13.977 4.189
35 HG2 DPR 6 1HG DPR 6 0.375 12.353 5.136
36 HG3 DPR 6 2HG DPR 6 0.336 12.778 3.413
37 HD2 DPR 6 1HD DPR 6 -0.548 10.263 4.768
38 HD3 DPR 6 2HD DPR 6 0.312 10.488 3.228
39 HA PRO 7 HA PRO 7 -6.207 11.932 5.084
40 HB2 PRO 7 2HB PRO 7 -8.034 13.067 3.517
41 HB3 PRO 7 1HB PRO 7 -6.869 14.047 4.412
42 HG2 PRO 7 2HG PRO 7 -6.969 13.428 1.510
43 HG3 PRO 7 1HG PRO 7 -6.313 14.850 2.334
44 HD2 PRO 7 2HD PRO 7 -4.875 12.571 1.373
45 HD3 PRO 7 1HD PRO 7 -4.238 13.949 2.289
46 H GLN 8 H GLN 8 -5.258 10.478 2.207
47 HA GLN 8 HA GLN 8 -7.823 9.135 1.812
48 HB2 GLN 8 2HB GLN 8 -5.482 9.424 -0.064
49 HB3 GLN 8 1HB GLN 8 -6.955 8.534 -0.420
50 HG2 GLN 8 2HG GLN 8 -6.745 11.493 0.108
51 HG3 GLN 8 1HG GLN 8 -6.997 10.729 -1.460
52 HE21 GLN 8 1HE2 GLN 8 -8.995 9.809 -1.903
53 HE22 GLN 8 2HE2 GLN 8 -10.409 10.178 -0.980
54 H THR 9 H THR 9 -8.009 7.031 2.117
55 HA THR 9 HA THR 9 -5.683 5.636 3.161
56 HB THR 9 HB THR 9 -8.604 4.820 3.159
57 HG1 THR 9 1HG THR 9 -7.008 5.851 5.281
58 HG21 THR 9 1HG2 THR 9 -6.235 3.754 4.729
59 HG22 THR 9 2HG2 THR 9 -7.018 2.926 3.386
60 HG23 THR 9 3HG2 THR 9 -7.904 3.206 4.886
61 H TYR 10 H TYR 10 -4.510 4.712 1.965
62 HA TYR 10 HA TYR 10 -5.127 3.710 -0.660
63 HB2 TYR 10 2HB TYR 10 -3.049 4.909 -0.148
64 HB3 TYR 10 1HB TYR 10 -2.666 3.715 1.083
65 HD1 TYR 10 1HD TYR 10 -1.807 1.605 0.495
66 HD2 TYR 10 2HD TYR 10 -2.887 4.375 -2.479
67 HE1 TYR 10 1HE TYR 10 -0.566 0.262 -1.150
68 HE2 TYR 10 2HE TYR 10 -1.684 3.075 -4.175
69 HH TYR 10 HH TYR 10 0.398 1.386 -4.022
70 H THR 11 H THR 11 -6.387 1.975 -0.434
71 HA THR 11 HA THR 11 -5.772 -0.083 1.493
72 HB THR 11 HB THR 11 -7.886 -1.090 0.411
73 HG1 THR 11 1HG THR 11 -8.440 -0.038 -1.322
74 HG21 THR 11 1HG2 THR 11 -9.362 0.406 1.687
75 HG22 THR 11 2HG2 THR 11 -8.068 1.600 1.785
76 HG23 THR 11 3HG2 THR 11 -7.897 0.045 2.600
77 H PHE 12 H PHE 12 -5.139 -2.199 0.875
78 HA PHE 12 HA PHE 12 -4.479 -2.470 -1.955
79 HB2 PHE 12 2HB PHE 12 -2.510 -2.041 -0.171
80 HB3 PHE 12 1HB PHE 12 -2.765 -3.754 0.105
81 HD1 PHE 12 1HD PHE 12 -2.172 -5.407 -1.492
82 HD2 PHE 12 2HD PHE 12 -1.697 -1.284 -2.365
83 HE1 PHE 12 1HE PHE 12 -0.805 -5.985 -3.451
84 HE2 PHE 12 2HE PHE 12 -0.315 -1.847 -4.316
85 HZ PHE 12 HZ PHE 12 0.133 -4.205 -4.862
86 HA PRO 13 HA PRO 13 -6.976 -6.137 -1.536
87 HB2 PRO 13 2HB PRO 13 -5.890 -7.520 -3.678
88 HB3 PRO 13 1HB PRO 13 -7.160 -6.297 -3.797
89 HG2 PRO 13 2HG PRO 13 -4.214 -6.009 -4.209
90 HG3 PRO 13 1HG PRO 13 -5.541 -5.320 -5.161
91 HD2 PRO 13 2HD PRO 13 -4.182 -3.857 -3.424
92 HD3 PRO 13 1HD PRO 13 -5.938 -3.650 -3.597
93 H THR 14 H THR 14 -3.612 -7.016 -2.488
94 HA THR 14 HA THR 14 -3.795 -9.219 -0.589
95 HB THR 14 HB THR 14 -1.823 -10.117 -1.964
96 HG1 THR 14 1HG THR 14 -1.742 -9.304 -4.085
97 HG21 THR 14 1HG2 THR 14 -3.313 -11.027 -3.687
98 HG22 THR 14 2HG2 THR 14 -4.507 -9.788 -3.297
99 HG23 THR 14 3HG2 THR 14 -4.099 -11.021 -2.107
100 H CYS 15 H CYS 15 -2.657 -9.042 1.215
101 HA CYS 15 HA CYS 15 -0.946 -6.802 1.579
102 HB2 CYS 15 2HB CYS 15 -2.324 -7.730 3.412
103 HB3 CYS 15 1HB CYS 15 -1.318 -9.176 3.406
104 H GLU 16 H GLU 16 -0.490 -10.031 0.611
105 HA GLU 16 HA GLU 16 2.202 -10.492 1.263
106 HB2 GLU 16 2HB GLU 16 0.636 -11.485 -1.136
107 HB3 GLU 16 1HB GLU 16 2.152 -12.150 -0.568
108 HG2 GLU 16 2HG GLU 16 0.290 -13.571 0.050
109 HG3 GLU 16 1HG GLU 16 1.044 -12.900 1.493
110 H GLU 17 H GLU 17 0.607 -8.972 -1.439
111 HA GLU 17 HA GLU 17 3.133 -8.421 -2.691
112 HB2 GLU 17 2HB GLU 17 1.291 -9.110 -4.132
113 HB3 GLU 17 1HB GLU 17 0.316 -7.762 -3.579
114 HG2 GLU 17 2HG GLU 17 1.795 -6.191 -4.631
115 HG3 GLU 17 1HG GLU 17 2.928 -7.473 -5.041
116 H ALA 18 H ALA 18 0.743 -6.793 -0.748
117 HA ALA 18 HA ALA 18 1.362 -4.119 -1.235
118 HB1 ALA 18 1HB ALA 18 0.600 -5.331 1.416
119 HB2 ALA 18 2HB ALA 18 -0.532 -4.858 0.147
120 HB3 ALA 18 3HB ALA 18 0.443 -3.634 0.964
121 H LYS 19 H LYS 19 2.998 -6.428 0.805
122 HA LYS 19 HA LYS 19 4.781 -4.438 1.833
123 HB2 LYS 19 2HB LYS 19 5.919 -6.333 2.961
124 HB3 LYS 19 1HB LYS 19 4.208 -6.165 3.319
125 HG2 LYS 19 2HG LYS 19 3.741 -7.941 1.670
126 HG3 LYS 19 1HG LYS 19 5.479 -8.149 1.463
127 HD2 LYS 19 2HD LYS 19 4.568 -9.765 2.944
128 HD3 LYS 19 1HD LYS 19 5.696 -8.732 3.823
129 HE2 LYS 19 2HE LYS 19 3.795 -7.486 4.783
130 HE3 LYS 19 1HE LYS 19 2.668 -8.481 3.862
131 HZ1 LYS 19 1HZ LYS 19 4.516 -9.483 5.967
132 HZ2 LYS 19 2HZ LYS 19 3.372 -10.397 5.144
133 HZ3 LYS 19 3HZ LYS 19 2.882 -9.160 6.192
134 H LYS 20 H LYS 20 4.652 -5.953 -1.061
135 HA LYS 20 HA LYS 20 7.560 -5.787 -1.443
136 HB2 LYS 20 2HB LYS 20 6.589 -8.002 -1.996
137 HB3 LYS 20 1HB LYS 20 5.491 -7.234 -3.130
138 HG2 LYS 20 2HG LYS 20 7.338 -8.299 -4.285
139 HG3 LYS 20 1HG LYS 20 7.385 -6.552 -4.514
140 HD2 LYS 20 2HD LYS 20 9.095 -6.407 -2.717
141 HD3 LYS 20 1HD LYS 20 9.074 -8.166 -2.595
142 HE2 LYS 20 2HE LYS 20 9.782 -8.313 -4.952
143 HE3 LYS 20 1HE LYS 20 9.819 -6.558 -5.035
144 HZ1 LYS 20 1HZ LYS 20 12.018 -7.435 -4.674
145 HZ2 LYS 20 2HZ LYS 20 11.552 -8.244 -3.293
146 HZ3 LYS 20 3HZ LYS 20 11.568 -6.572 -3.317
147 H MET 21 H MET 21 4.436 -4.992 -2.897
148 HA MET 21 HA MET 21 5.593 -2.997 -4.599
149 HB2 MET 21 2HB MET 21 3.634 -4.241 -5.407
150 HB3 MET 21 1HB MET 21 2.715 -3.756 -4.002
151 HG2 MET 21 2HG MET 21 1.905 -2.481 -5.828
152 HG3 MET 21 1HG MET 21 2.846 -1.389 -4.835
153 HE1 MET 21 1HE MET 21 5.847 -0.437 -7.130
154 HE2 MET 21 2HE MET 21 5.879 -1.487 -5.728
155 HE3 MET 21 3HE MET 21 4.905 -0.015 -5.705
156 H LYS 22 H LYS 22 6.574 -1.910 -2.992
157 HA LYS 22 HA LYS 22 5.416 -0.907 -0.692
158 HB2 LYS 22 2HB LYS 22 7.446 0.645 -0.685
159 HB3 LYS 22 1HB LYS 22 7.701 -1.091 -0.604
160 HG2 LYS 22 2HG LYS 22 8.166 -1.071 -3.048
161 HG3 LYS 22 1HG LYS 22 8.053 0.689 -3.004
162 HD2 LYS 22 2HD LYS 22 9.894 0.814 -1.478
163 HD3 LYS 22 1HD LYS 22 9.918 -0.944 -1.309
164 HE2 LYS 22 2HE LYS 22 10.450 -1.131 -3.700
165 HE3 LYS 22 1HE LYS 22 10.510 0.627 -3.808
166 HZ1 LYS 22 1HZ LYS 22 12.687 -0.399 -3.576
167 HZ2 LYS 22 2HZ LYS 22 12.265 -1.010 -2.053
168 HZ3 LYS 22 3HZ LYS 22 12.357 0.655 -2.316
169 H LYS 23 H LYS 23 5.380 1.386 -0.068
170 HA LYS 23 HA LYS 23 3.154 2.419 -1.420
171 HB2 LYS 23 2HB LYS 23 3.100 4.150 0.246
172 HB3 LYS 23 1HB LYS 23 3.430 2.600 0.996
173 HG2 LYS 23 2HG LYS 23 5.787 3.194 1.222
174 HG3 LYS 23 1HG LYS 23 5.484 4.728 0.403
175 HD2 LYS 23 2HD LYS 23 3.865 5.308 2.187
176 HD3 LYS 23 1HD LYS 23 4.303 3.827 3.027
177 HE2 LYS 23 2HE LYS 23 6.608 4.629 3.221
178 HE3 LYS 23 1HE LYS 23 6.163 6.107 2.370
179 HZ1 LYS 23 1HZ LYS 23 4.586 6.595 4.204
180 HZ2 LYS 23 2HZ LYS 23 6.172 6.489 4.728
181 HZ3 LYS 23 3HZ LYS 23 5.128 5.220 5.013
182 H ARG 24 H ARG 24 2.820 4.502 -2.120
183 HA ARG 24 HA ARG 24 5.060 6.026 -3.138
184 HB2 ARG 24 2HB ARG 24 4.361 4.686 -5.041
185 HB3 ARG 24 1HB ARG 24 2.677 5.020 -4.717
186 HG2 ARG 24 2HG ARG 24 3.558 6.185 -6.704
187 HG3 ARG 24 1HG ARG 24 2.910 7.277 -5.491
188 HD2 ARG 24 2HD ARG 24 5.847 6.681 -5.557
189 HD3 ARG 24 1HD ARG 24 5.159 7.826 -6.704
190 HE ARG 24 HE ARG 24 4.197 8.682 -4.342
191 HH11 ARG 24 1HH1 ARG 24 7.456 8.053 -5.511
192 HH12 ARG 24 2HH1 ARG 24 8.207 9.195 -4.498
193 HH21 ARG 24 1HH2 ARG 24 5.224 10.310 -2.944
194 HH22 ARG 24 2HH2 ARG 24 6.910 10.504 -3.040
195 H CYS 25 H CYS 25 4.716 7.499 -1.578
196 HA CYS 25 HA CYS 25 2.170 8.910 -1.674
197 HB2 CYS 25 2HB CYS 25 2.096 7.230 0.134
198 HB3 CYS 25 1HB CYS 25 3.519 7.965 0.859
Start of MODEL 14
1 H1 CYS 1 1HT CYS 1 -4.822 -5.765 4.084
2 H2 CYS 1 2HT CYS 1 -5.036 -5.138 5.630
3 H3 CYS 1 3HT CYS 1 -3.907 -6.352 5.388
4 HA CYS 1 HA CYS 1 -2.891 -4.215 5.665
5 HB2 CYS 1 2HB CYS 1 -2.648 -5.473 2.944
6 HB3 CYS 1 1HB CYS 1 -1.680 -4.097 3.414
7 H SER 2 H SER 2 -3.599 -2.227 5.837
8 HA SER 2 HA SER 2 -4.355 -0.867 3.404
9 HB2 SER 2 2HB SER 2 -6.403 -1.266 4.657
10 HB3 SER 2 1HB SER 2 -5.712 -0.530 6.112
11 HG SER 2 HG SER 2 -6.778 0.582 3.803
12 H TYR 3 H TYR 3 -3.736 1.238 3.408
13 HA TYR 3 HA TYR 3 -1.757 2.034 5.401
14 HB2 TYR 3 2HB TYR 3 -0.409 1.100 3.700
15 HB3 TYR 3 1HB TYR 3 -1.379 1.822 2.418
16 HD1 TYR 3 1HD TYR 3 -0.681 3.795 1.438
17 HD2 TYR 3 2HD TYR 3 0.906 2.727 5.238
18 HE1 TYR 3 1HE TYR 3 0.822 5.694 1.323
19 HE2 TYR 3 2HE TYR 3 2.429 4.643 5.139
20 HH TYR 3 HH TYR 3 2.012 7.133 2.999
21 H THR 4 H THR 4 -1.651 4.179 5.752
22 HA THR 4 HA THR 4 -3.725 5.787 4.474
23 HB THR 4 HB THR 4 -2.241 6.379 7.045
24 HG1 THR 4 1HG THR 4 -4.105 4.554 6.455
25 HG21 THR 4 1HG2 THR 4 -4.141 7.886 7.465
26 HG22 THR 4 2HG2 THR 4 -4.852 7.429 5.919
27 HG23 THR 4 3HG2 THR 4 -3.332 8.321 5.959
28 H CYS 5 H CYS 5 -3.175 7.198 3.042
29 HA CYS 5 HA CYS 5 -0.427 8.220 2.995
30 HB2 CYS 5 2HB CYS 5 -1.016 6.713 1.090
31 HB3 CYS 5 1HB CYS 5 -2.343 7.786 0.689
32 HA DPR 6 HA DPR 6 -1.999 12.421 3.091
33 HB2 DPR 6 1HB DPR 6 -2.110 11.768 6.005
34 HB3 DPR 6 2HB DPR 6 -1.455 13.221 5.227
35 HG2 DPR 6 1HG DPR 6 0.192 11.381 6.130
36 HG3 DPR 6 2HG DPR 6 0.473 12.080 4.523
37 HD2 DPR 6 1HD DPR 6 -0.691 9.419 5.258
38 HD3 DPR 6 2HD DPR 6 0.430 9.849 3.949
39 HA PRO 7 HA PRO 7 -6.325 12.047 4.347
40 HB2 PRO 7 2HB PRO 7 -7.422 13.263 2.239
41 HB3 PRO 7 1HB PRO 7 -6.523 14.173 3.455
42 HG2 PRO 7 2HG PRO 7 -5.675 13.307 0.732
43 HG3 PRO 7 1HG PRO 7 -5.313 14.815 1.588
44 HD2 PRO 7 2HD PRO 7 -3.615 12.607 1.384
45 HD3 PRO 7 1HD PRO 7 -3.468 13.917 2.574
46 H GLN 8 H GLN 8 -4.682 10.358 2.014
47 HA GLN 8 HA GLN 8 -7.038 9.156 0.772
48 HB2 GLN 8 2HB GLN 8 -4.109 8.805 0.168
49 HB3 GLN 8 1HB GLN 8 -5.424 8.056 -0.717
50 HG2 GLN 8 2HG GLN 8 -6.181 10.230 -1.455
51 HG3 GLN 8 1HG GLN 8 -4.916 11.005 -0.498
52 HE21 GLN 8 1HE2 GLN 8 -2.780 10.825 -1.155
53 HE22 GLN 8 2HE2 GLN 8 -2.353 10.389 -2.761
54 H THR 9 H THR 9 -7.526 7.056 1.048
55 HA THR 9 HA THR 9 -5.885 5.516 2.934
56 HB THR 9 HB THR 9 -8.788 5.048 2.176
57 HG1 THR 9 1HG THR 9 -8.708 6.986 3.283
58 HG21 THR 9 1HG2 THR 9 -8.798 3.651 4.203
59 HG22 THR 9 2HG2 THR 9 -7.106 4.049 4.483
60 HG23 THR 9 3HG2 THR 9 -7.562 3.097 3.070
61 H TYR 10 H TYR 10 -4.756 4.028 2.138
62 HA TYR 10 HA TYR 10 -5.356 3.153 -0.579
63 HB2 TYR 10 2HB TYR 10 -3.269 4.484 -0.163
64 HB3 TYR 10 1HB TYR 10 -2.736 3.185 0.895
65 HD1 TYR 10 1HD TYR 10 -3.338 4.216 -2.489
66 HD2 TYR 10 2HD TYR 10 -2.024 1.081 -0.016
67 HE1 TYR 10 1HE TYR 10 -2.348 3.102 -4.478
68 HE2 TYR 10 2HE TYR 10 -1.019 -0.083 -1.958
69 HH TYR 10 HH TYR 10 -0.445 1.388 -4.860
70 H THR 11 H THR 11 -6.514 1.356 -0.171
71 HA THR 11 HA THR 11 -5.338 -0.578 1.662
72 HB THR 11 HB THR 11 -8.146 -0.526 0.485
73 HG1 THR 11 1HG THR 11 -8.386 0.968 1.920
74 HG21 THR 11 1HG2 THR 11 -7.383 -2.779 1.152
75 HG22 THR 11 2HG2 THR 11 -8.643 -2.193 2.238
76 HG23 THR 11 3HG2 THR 11 -6.953 -2.161 2.745
77 H PHE 12 H PHE 12 -4.838 -2.658 0.886
78 HA PHE 12 HA PHE 12 -4.690 -2.730 -2.042
79 HB2 PHE 12 2HB PHE 12 -2.547 -2.258 -0.692
80 HB3 PHE 12 1HB PHE 12 -2.670 -3.921 -0.144
81 HD1 PHE 12 1HD PHE 12 -1.975 -5.715 -1.538
82 HD2 PHE 12 2HD PHE 12 -2.213 -1.763 -3.070
83 HE1 PHE 12 1HE PHE 12 -0.765 -6.427 -3.535
84 HE2 PHE 12 2HE PHE 12 -0.993 -2.462 -5.080
85 HZ PHE 12 HZ PHE 12 -0.260 -4.805 -5.312
86 HA PRO 13 HA PRO 13 -7.005 -6.531 -1.640
87 HB2 PRO 13 2HB PRO 13 -5.922 -7.850 -3.838
88 HB3 PRO 13 1HB PRO 13 -7.283 -6.728 -3.896
89 HG2 PRO 13 2HG PRO 13 -4.399 -6.250 -4.485
90 HG3 PRO 13 1HG PRO 13 -5.832 -5.601 -5.304
91 HD2 PRO 13 2HD PRO 13 -4.400 -4.118 -3.610
92 HD3 PRO 13 1HD PRO 13 -6.172 -3.989 -3.674
93 H THR 14 H THR 14 -3.623 -7.178 -2.673
94 HA THR 14 HA THR 14 -3.725 -9.483 -0.967
95 HB THR 14 HB THR 14 -1.529 -10.065 -2.160
96 HG1 THR 14 1HG THR 14 -1.165 -9.036 -4.047
97 HG21 THR 14 1HG2 THR 14 -4.080 -9.802 -3.751
98 HG22 THR 14 2HG2 THR 14 -3.652 -11.140 -2.683
99 HG23 THR 14 3HG2 THR 14 -2.725 -10.853 -4.157
100 H CYS 15 H CYS 15 -3.165 -9.192 0.999
101 HA CYS 15 HA CYS 15 -1.699 -6.997 2.035
102 HB2 CYS 15 2HB CYS 15 -3.463 -8.433 3.211
103 HB3 CYS 15 1HB CYS 15 -2.219 -9.645 3.380
104 H GLU 16 H GLU 16 -0.811 -10.178 1.005
105 HA GLU 16 HA GLU 16 1.754 -10.331 2.181
106 HB2 GLU 16 2HB GLU 16 1.047 -11.593 -0.455
107 HB3 GLU 16 1HB GLU 16 2.152 -12.178 0.772
108 HG2 GLU 16 2HG GLU 16 0.398 -13.621 1.029
109 HG3 GLU 16 1HG GLU 16 -0.016 -12.379 2.208
110 H GLU 17 H GLU 17 0.545 -9.029 -0.834
111 HA GLU 17 HA GLU 17 3.221 -8.441 -1.785
112 HB2 GLU 17 2HB GLU 17 0.546 -8.039 -3.088
113 HB3 GLU 17 1HB GLU 17 2.104 -7.744 -3.854
114 HG2 GLU 17 2HG GLU 17 2.670 -10.098 -3.616
115 HG3 GLU 17 1HG GLU 17 1.130 -10.390 -2.813
116 H ALA 18 H ALA 18 0.694 -6.883 -0.151
117 HA ALA 18 HA ALA 18 0.946 -4.226 -0.913
118 HB1 ALA 18 1HB ALA 18 0.004 -3.644 1.249
119 HB2 ALA 18 2HB ALA 18 0.399 -5.247 1.869
120 HB3 ALA 18 3HB ALA 18 -0.799 -5.070 0.589
121 H LYS 19 H LYS 19 3.028 -6.109 1.120
122 HA LYS 19 HA LYS 19 4.546 -3.834 2.037
123 HB2 LYS 19 2HB LYS 19 6.025 -5.507 3.077
124 HB3 LYS 19 1HB LYS 19 4.339 -5.761 3.498
125 HG2 LYS 19 2HG LYS 19 4.188 -7.559 1.860
126 HG3 LYS 19 1HG LYS 19 5.871 -7.290 1.411
127 HD2 LYS 19 2HD LYS 19 6.565 -7.858 3.682
128 HD3 LYS 19 1HD LYS 19 4.879 -8.118 4.132
129 HE2 LYS 19 2HE LYS 19 4.705 -9.920 2.497
130 HE3 LYS 19 1HE LYS 19 6.366 -9.631 1.990
131 HZ1 LYS 19 1HZ LYS 19 6.243 -11.489 3.506
132 HZ2 LYS 19 2HZ LYS 19 5.505 -10.503 4.677
133 HZ3 LYS 19 3HZ LYS 19 7.092 -10.206 4.211
134 H LYS 20 H LYS 20 4.457 -5.615 -0.792
135 HA LYS 20 HA LYS 20 7.291 -5.178 -1.386
136 HB2 LYS 20 2HB LYS 20 6.233 -7.423 -1.838
137 HB3 LYS 20 1HB LYS 20 5.202 -6.642 -3.022
138 HG2 LYS 20 2HG LYS 20 7.020 -7.756 -4.135
139 HG3 LYS 20 1HG LYS 20 7.219 -6.010 -4.311
140 HD2 LYS 20 2HD LYS 20 8.854 -6.008 -2.493
141 HD3 LYS 20 1HD LYS 20 8.626 -7.741 -2.276
142 HE2 LYS 20 2HE LYS 20 9.719 -6.374 -4.736
143 HE3 LYS 20 1HE LYS 20 10.658 -7.244 -3.534
144 HZ1 LYS 20 1HZ LYS 20 8.617 -8.441 -5.343
145 HZ2 LYS 20 2HZ LYS 20 9.447 -9.276 -4.145
146 HZ3 LYS 20 3HZ LYS 20 10.287 -8.611 -5.441
147 H MET 21 H MET 21 4.033 -4.383 -2.353
148 HA MET 21 HA MET 21 4.441 -2.871 -4.613
149 HB2 MET 21 2HB MET 21 2.231 -3.573 -3.931
150 HB3 MET 21 1HB MET 21 2.353 -2.645 -2.449
151 HG2 MET 21 2HG MET 21 0.908 -1.568 -4.116
152 HG3 MET 21 1HG MET 21 2.291 -0.572 -3.678
153 HE1 MET 21 1HE MET 21 0.797 -2.994 -6.406
154 HE2 MET 21 2HE MET 21 2.388 -3.699 -6.114
155 HE3 MET 21 3HE MET 21 2.038 -2.923 -7.656
156 H LYS 22 H LYS 22 5.599 -1.224 -4.869
157 HA LYS 22 HA LYS 22 6.564 0.419 -2.764
158 HB2 LYS 22 2HB LYS 22 6.662 0.860 -5.755
159 HB3 LYS 22 1HB LYS 22 7.555 1.792 -4.565
160 HG2 LYS 22 2HG LYS 22 8.769 -0.233 -3.895
161 HG3 LYS 22 1HG LYS 22 7.888 -1.153 -5.115
162 HD2 LYS 22 2HD LYS 22 8.820 0.298 -6.860
163 HD3 LYS 22 1HD LYS 22 9.708 1.193 -5.628
164 HE2 LYS 22 2HE LYS 22 10.048 -1.737 -6.278
165 HE3 LYS 22 1HE LYS 22 11.133 -0.441 -6.770
166 HZ1 LYS 22 1HZ LYS 22 11.995 -1.582 -4.867
167 HZ2 LYS 22 2HZ LYS 22 10.603 -1.339 -3.988
168 HZ3 LYS 22 3HZ LYS 22 11.583 -0.022 -4.403
169 H LYS 23 H LYS 23 5.669 2.065 -1.890
170 HA LYS 23 HA LYS 23 3.252 3.146 -3.098
171 HB2 LYS 23 2HB LYS 23 2.670 3.861 -0.765
172 HB3 LYS 23 1HB LYS 23 2.749 2.124 -0.993
173 HG2 LYS 23 2HG LYS 23 5.046 2.177 -0.005
174 HG3 LYS 23 1HG LYS 23 4.781 3.883 0.370
175 HD2 LYS 23 2HD LYS 23 2.833 3.288 1.720
176 HD3 LYS 23 1HD LYS 23 3.068 1.587 1.325
177 HE2 LYS 23 2HE LYS 23 4.965 3.347 2.874
178 HE3 LYS 23 1HE LYS 23 3.932 2.092 3.540
179 HZ1 LYS 23 1HZ LYS 23 6.217 1.680 1.676
180 HZ2 LYS 23 2HZ LYS 23 5.175 0.460 2.190
181 HZ3 LYS 23 3HZ LYS 23 6.142 1.269 3.309
182 H ARG 24 H ARG 24 2.949 5.366 -3.099
183 HA ARG 24 HA ARG 24 5.473 6.835 -2.930
184 HB2 ARG 24 2HB ARG 24 4.866 6.364 -5.238
185 HB3 ARG 24 1HB ARG 24 3.284 7.075 -4.981
186 HG2 ARG 24 2HG ARG 24 4.309 9.250 -4.624
187 HG3 ARG 24 1HG ARG 24 5.909 8.537 -4.870
188 HD2 ARG 24 2HD ARG 24 5.332 7.908 -7.111
189 HD3 ARG 24 1HD ARG 24 3.674 8.456 -6.875
190 HE ARG 24 HE ARG 24 5.737 10.425 -6.493
191 HH11 ARG 24 1HH1 ARG 24 3.447 8.943 -8.738
192 HH12 ARG 24 2HH1 ARG 24 3.298 10.316 -9.736
193 HH21 ARG 24 1HH2 ARG 24 5.562 12.320 -7.900
194 HH22 ARG 24 2HH2 ARG 24 4.553 12.250 -9.271
195 H CYS 25 H CYS 25 5.039 7.633 -0.949
196 HA CYS 25 HA CYS 25 3.179 9.850 -0.857
197 HB2 CYS 25 2HB CYS 25 3.252 7.695 1.271
198 HB3 CYS 25 1HB CYS 25 2.269 9.152 1.298
Start of MODEL 15
1 H1 CYS 1 1HT CYS 1 -2.404 -6.286 6.182
2 H2 CYS 1 2HT CYS 1 -3.854 -5.863 5.393
3 H3 CYS 1 3HT CYS 1 -3.266 -4.895 6.624
4 HA CYS 1 HA CYS 1 -1.426 -4.234 5.376
5 HB2 CYS 1 2HB CYS 1 -2.525 -6.162 3.345
6 HB3 CYS 1 1HB CYS 1 -1.393 -4.883 2.935
7 H SER 2 H SER 2 -2.368 -2.282 5.659
8 HA SER 2 HA SER 2 -4.388 -1.507 3.697
9 HB2 SER 2 2HB SER 2 -5.261 -1.480 5.974
10 HB3 SER 2 1HB SER 2 -3.915 -0.475 6.521
11 HG SER 2 HG SER 2 -6.181 0.179 4.983
12 H TYR 3 H TYR 3 -4.168 0.820 3.107
13 HA TYR 3 HA TYR 3 -1.342 1.587 3.109
14 HB2 TYR 3 2HB TYR 3 -1.939 0.513 0.931
15 HB3 TYR 3 1HB TYR 3 -3.199 1.715 0.699
16 HD1 TYR 3 1HD TYR 3 0.452 1.227 0.974
17 HD2 TYR 3 2HD TYR 3 -2.661 3.877 -0.202
18 HE1 TYR 3 1HE TYR 3 2.104 2.714 -0.036
19 HE2 TYR 3 2HE TYR 3 -1.029 5.360 -1.217
20 HH TYR 3 HH TYR 3 1.493 5.823 -0.714
21 H THR 4 H THR 4 -1.017 3.902 2.875
22 HA THR 4 HA THR 4 -3.435 5.487 3.203
23 HB THR 4 HB THR 4 -0.926 6.055 4.793
24 HG1 THR 4 1HG THR 4 -3.003 4.230 5.250
25 HG21 THR 4 1HG2 THR 4 -2.563 7.878 4.503
26 HG22 THR 4 2HG2 THR 4 -2.494 7.342 6.182
27 HG23 THR 4 3HG2 THR 4 -3.829 6.836 5.149
28 H CYS 5 H CYS 5 -3.440 7.051 1.771
29 HA CYS 5 HA CYS 5 -0.943 7.875 0.466
30 HB2 CYS 5 2HB CYS 5 -2.526 6.730 -1.057
31 HB3 CYS 5 1HB CYS 5 -3.808 7.789 -0.532
32 HA DPR 6 HA DPR 6 -1.718 12.099 1.709
33 HB2 DPR 6 1HB DPR 6 -0.060 11.233 4.016
34 HB3 DPR 6 2HB DPR 6 0.190 12.637 2.957
35 HG2 DPR 6 1HG DPR 6 1.758 10.527 2.761
36 HG3 DPR 6 2HG DPR 6 1.161 11.318 1.291
37 HD2 DPR 6 1HD DPR 6 0.225 8.796 2.604
38 HD3 DPR 6 2HD DPR 6 0.479 9.166 0.885
39 HA PRO 7 HA PRO 7 -4.258 11.614 5.448
40 HB2 PRO 7 2HB PRO 7 -6.250 13.247 4.750
41 HB3 PRO 7 1HB PRO 7 -4.657 13.888 5.169
42 HG2 PRO 7 2HG PRO 7 -5.910 13.540 2.487
43 HG3 PRO 7 1HG PRO 7 -4.837 14.825 3.061
44 HD2 PRO 7 2HD PRO 7 -4.087 12.593 1.522
45 HD3 PRO 7 1HD PRO 7 -2.989 13.681 2.396
46 H GLN 8 H GLN 8 -4.705 10.312 2.447
47 HA GLN 8 HA GLN 8 -7.459 9.447 2.898
48 HB2 GLN 8 2HB GLN 8 -5.698 9.458 0.464
49 HB3 GLN 8 1HB GLN 8 -7.209 8.561 0.521
50 HG2 GLN 8 2HG GLN 8 -7.002 11.510 1.060
51 HG3 GLN 8 1HG GLN 8 -7.360 10.819 -0.525
52 HE21 GLN 8 1HE2 GLN 8 -9.002 12.515 1.265
53 HE22 GLN 8 2HE2 GLN 8 -10.453 11.613 1.499
54 H THR 9 H THR 9 -7.844 7.527 3.723
55 HA THR 9 HA THR 9 -5.749 5.557 3.944
56 HB THR 9 HB THR 9 -8.686 5.249 4.625
57 HG1 THR 9 1HG THR 9 -8.306 6.204 6.533
58 HG21 THR 9 1HG2 THR 9 -7.326 3.201 4.684
59 HG22 THR 9 2HG2 THR 9 -7.817 3.666 6.314
60 HG23 THR 9 3HG2 THR 9 -6.175 3.992 5.758
61 H TYR 10 H TYR 10 -5.579 3.721 2.711
62 HA TYR 10 HA TYR 10 -7.559 3.409 0.594
63 HB2 TYR 10 2HB TYR 10 -5.416 4.680 -0.061
64 HB3 TYR 10 1HB TYR 10 -4.586 3.152 0.164
65 HD1 TYR 10 1HD TYR 10 -7.507 4.580 -1.551
66 HD2 TYR 10 2HD TYR 10 -4.356 1.754 -1.673
67 HE1 TYR 10 1HE TYR 10 -8.154 3.990 -3.842
68 HE2 TYR 10 2HE TYR 10 -4.973 1.140 -3.967
69 HH TYR 10 HH TYR 10 -7.152 3.024 -5.800
70 H THR 11 H THR 11 -7.717 1.206 -0.160
71 HA THR 11 HA THR 11 -6.641 -0.703 1.788
72 HB THR 11 HB THR 11 -9.081 -0.965 0.012
73 HG1 THR 11 1HG THR 11 -9.903 0.329 1.425
74 HG21 THR 11 1HG2 THR 11 -8.165 -2.567 2.414
75 HG22 THR 11 2HG2 THR 11 -8.094 -3.112 0.737
76 HG23 THR 11 3HG2 THR 11 -9.657 -2.834 1.510
77 H PHE 12 H PHE 12 -5.165 -2.046 1.070
78 HA PHE 12 HA PHE 12 -4.691 -2.112 -1.786
79 HB2 PHE 12 2HB PHE 12 -2.912 -1.847 0.171
80 HB3 PHE 12 1HB PHE 12 -3.023 -3.605 0.195
81 HD1 PHE 12 1HD PHE 12 -2.311 -4.922 -1.753
82 HD2 PHE 12 2HD PHE 12 -1.889 -0.709 -1.600
83 HE1 PHE 12 1HE PHE 12 -0.748 -5.026 -3.648
84 HE2 PHE 12 2HE PHE 12 -0.305 -0.792 -3.502
85 HZ PHE 12 HZ PHE 12 0.261 -2.957 -4.524
86 HA PRO 13 HA PRO 13 -7.098 -5.791 -2.179
87 HB2 PRO 13 2HB PRO 13 -5.725 -6.901 -4.338
88 HB3 PRO 13 1HB PRO 13 -7.049 -5.741 -4.447
89 HG2 PRO 13 2HG PRO 13 -4.105 -5.277 -4.578
90 HG3 PRO 13 1HG PRO 13 -5.406 -4.491 -5.491
91 HD2 PRO 13 2HD PRO 13 -4.199 -3.271 -3.445
92 HD3 PRO 13 1HD PRO 13 -5.941 -3.068 -3.733
93 H THR 14 H THR 14 -3.637 -6.527 -2.820
94 HA THR 14 HA THR 14 -3.979 -8.994 -1.339
95 HB THR 14 HB THR 14 -1.756 -9.477 -2.591
96 HG1 THR 14 1HG THR 14 -1.684 -8.244 -4.570
97 HG21 THR 14 1HG2 THR 14 -4.384 -9.212 -4.078
98 HG22 THR 14 2HG2 THR 14 -3.901 -10.592 -3.091
99 HG23 THR 14 3HG2 THR 14 -3.026 -10.220 -4.576
100 H CYS 15 H CYS 15 -2.883 -9.324 0.495
101 HA CYS 15 HA CYS 15 -1.486 -7.159 1.708
102 HB2 CYS 15 2HB CYS 15 -2.969 -8.773 2.939
103 HB3 CYS 15 1HB CYS 15 -1.773 -10.021 2.674
104 H GLU 16 H GLU 16 -0.586 -10.083 0.061
105 HA GLU 16 HA GLU 16 2.111 -10.371 0.690
106 HB2 GLU 16 2HB GLU 16 0.878 -11.960 -0.694
107 HB3 GLU 16 1HB GLU 16 0.689 -10.749 -1.952
108 HG2 GLU 16 2HG GLU 16 3.199 -10.713 -2.124
109 HG3 GLU 16 1HG GLU 16 3.202 -12.131 -1.078
110 H GLU 17 H GLU 17 0.669 -8.630 -2.004
111 HA GLU 17 HA GLU 17 3.077 -7.449 -2.867
112 HB2 GLU 17 2HB GLU 17 0.208 -6.917 -3.532
113 HB3 GLU 17 1HB GLU 17 1.563 -6.134 -4.345
114 HG2 GLU 17 2HG GLU 17 2.335 -8.190 -5.208
115 HG3 GLU 17 1HG GLU 17 1.232 -9.108 -4.183
116 H ALA 18 H ALA 18 0.442 -6.380 -0.802
117 HA ALA 18 HA ALA 18 1.070 -3.670 -0.666
118 HB1 ALA 18 1HB ALA 18 -0.131 -3.654 1.437
119 HB2 ALA 18 2HB ALA 18 0.002 -5.414 1.523
120 HB3 ALA 18 3HB ALA 18 -0.968 -4.663 0.254
121 H LYS 19 H LYS 19 2.483 -6.414 1.011
122 HA LYS 19 HA LYS 19 4.091 -4.762 2.722
123 HB2 LYS 19 2HB LYS 19 4.250 -7.711 2.118
124 HB3 LYS 19 1HB LYS 19 5.236 -6.891 3.321
125 HG2 LYS 19 2HG LYS 19 3.173 -6.246 4.520
126 HG3 LYS 19 1HG LYS 19 2.236 -7.162 3.343
127 HD2 LYS 19 2HD LYS 19 4.369 -8.299 5.150
128 HD3 LYS 19 1HD LYS 19 2.633 -8.416 5.433
129 HE2 LYS 19 2HE LYS 19 2.388 -9.700 3.354
130 HE3 LYS 19 1HE LYS 19 4.120 -9.568 3.065
131 HZ1 LYS 19 1HZ LYS 19 2.876 -10.939 5.394
132 HZ2 LYS 19 2HZ LYS 19 4.530 -10.821 5.077
133 HZ3 LYS 19 3HZ LYS 19 3.543 -11.692 4.042
134 H LYS 20 H LYS 20 4.300 -5.791 -0.470
135 HA LYS 20 HA LYS 20 7.202 -5.597 -0.588
136 HB2 LYS 20 2HB LYS 20 6.134 -7.421 -1.802
137 HB3 LYS 20 1HB LYS 20 5.096 -6.289 -2.644
138 HG2 LYS 20 2HG LYS 20 6.832 -7.070 -4.114
139 HG3 LYS 20 1HG LYS 20 7.058 -5.354 -3.777
140 HD2 LYS 20 2HD LYS 20 8.795 -5.897 -2.150
141 HD3 LYS 20 1HD LYS 20 8.544 -7.618 -2.452
142 HE2 LYS 20 2HE LYS 20 9.452 -5.583 -4.488
143 HE3 LYS 20 1HE LYS 20 10.491 -6.750 -3.674
144 HZ1 LYS 20 1HZ LYS 20 9.898 -7.521 -5.857
145 HZ2 LYS 20 2HZ LYS 20 8.257 -7.405 -5.544
146 HZ3 LYS 20 3HZ LYS 20 9.205 -8.532 -4.715
147 H MET 21 H MET 21 4.300 -3.929 -1.479
148 HA MET 21 HA MET 21 5.523 -2.019 -3.184
149 HB2 MET 21 2HB MET 21 3.205 -2.669 -3.499
150 HB3 MET 21 1HB MET 21 2.795 -2.066 -1.904
151 HG2 MET 21 2HG MET 21 2.088 -0.522 -3.645
152 HG3 MET 21 1HG MET 21 3.308 0.203 -2.602
153 HE1 MET 21 1HE MET 21 3.974 1.805 -6.128
154 HE2 MET 21 2HE MET 21 3.586 2.118 -4.437
155 HE3 MET 21 3HE MET 21 2.407 1.324 -5.480
156 H LYS 22 H LYS 22 6.901 -0.704 -2.405
157 HA LYS 22 HA LYS 22 6.783 0.533 0.164
158 HB2 LYS 22 2HB LYS 22 8.440 1.092 -2.323
159 HB3 LYS 22 1HB LYS 22 8.670 1.915 -0.784
160 HG2 LYS 22 2HG LYS 22 9.261 -0.119 0.318
161 HG3 LYS 22 1HG LYS 22 8.821 -1.063 -1.095
162 HD2 LYS 22 2HD LYS 22 10.997 0.989 -1.290
163 HD3 LYS 22 1HD LYS 22 11.331 -0.569 -0.550
164 HE2 LYS 22 2HE LYS 22 11.969 -0.738 -2.832
165 HE3 LYS 22 1HE LYS 22 10.485 -1.650 -2.649
166 HZ1 LYS 22 1HZ LYS 22 9.279 0.219 -3.658
167 HZ2 LYS 22 2HZ LYS 22 10.477 -0.377 -4.655
168 HZ3 LYS 22 3HZ LYS 22 10.736 1.069 -3.825
169 H LYS 23 H LYS 23 6.237 2.805 0.524
170 HA LYS 23 HA LYS 23 3.911 3.262 -1.002
171 HB2 LYS 23 2HB LYS 23 3.230 4.900 0.582
172 HB3 LYS 23 1HB LYS 23 4.002 3.622 1.477
173 HG2 LYS 23 2HG LYS 23 4.721 5.555 2.547
174 HG3 LYS 23 1HG LYS 23 6.071 5.201 1.466
175 HD2 LYS 23 2HD LYS 23 5.351 6.826 -0.106
176 HD3 LYS 23 1HD LYS 23 3.816 7.039 0.727
177 HE2 LYS 23 2HE LYS 23 5.046 7.959 2.658
178 HE3 LYS 23 1HE LYS 23 6.544 7.823 1.731
179 HZ1 LYS 23 1HZ LYS 23 5.752 9.403 0.165
180 HZ2 LYS 23 2HZ LYS 23 5.375 10.065 1.669
181 HZ3 LYS 23 3HZ LYS 23 4.191 9.299 0.743
182 H ARG 24 H ARG 24 3.448 4.492 -2.551
183 HA ARG 24 HA ARG 24 5.605 6.119 -3.694
184 HB2 ARG 24 2HB ARG 24 4.731 4.314 -5.115
185 HB3 ARG 24 1HB ARG 24 3.112 4.966 -4.971
186 HG2 ARG 24 2HG ARG 24 3.699 6.887 -6.261
187 HG3 ARG 24 1HG ARG 24 5.406 6.440 -6.243
188 HD2 ARG 24 2HD ARG 24 4.326 5.888 -8.376
189 HD3 ARG 24 1HD ARG 24 4.931 4.460 -7.549
190 HE ARG 24 HE ARG 24 2.243 4.803 -6.849
191 HH11 ARG 24 1HH1 ARG 24 4.147 4.040 -9.715
192 HH12 ARG 24 2HH1 ARG 24 2.970 3.053 -10.437
193 HH21 ARG 24 1HH2 ARG 24 0.572 3.465 -7.841
194 HH22 ARG 24 2HH2 ARG 24 0.851 2.745 -9.344
195 H CYS 25 H CYS 25 2.554 6.253 -2.235
196 HA CYS 25 HA CYS 25 2.449 9.126 -2.656
197 HB2 CYS 25 2HB CYS 25 0.443 8.053 -3.629
198 HB3 CYS 25 1HB CYS 25 0.175 7.177 -2.122
Start of MODEL 16
1 H1 CYS 1 1HT CYS 1 -5.195 -6.697 5.029
2 H2 CYS 1 2HT CYS 1 -5.536 -5.852 3.573
3 H3 CYS 1 3HT CYS 1 -6.221 -5.360 5.026
4 HA CYS 1 HA CYS 1 -4.253 -4.678 5.913
5 HB2 CYS 1 2HB CYS 1 -2.973 -5.823 3.417
6 HB3 CYS 1 1HB CYS 1 -2.137 -4.813 4.570
7 H SER 2 H SER 2 -3.710 -2.577 5.714
8 HA SER 2 HA SER 2 -4.793 -1.260 3.348
9 HB2 SER 2 2HB SER 2 -4.900 -0.304 6.212
10 HB3 SER 2 1HB SER 2 -5.565 0.531 4.808
11 HG SER 2 HG SER 2 -7.269 -0.540 5.482
12 H TYR 3 H TYR 3 -3.783 0.547 2.701
13 HA TYR 3 HA TYR 3 -1.068 1.064 3.680
14 HB2 TYR 3 2HB TYR 3 -0.971 0.073 1.458
15 HB3 TYR 3 1HB TYR 3 -2.284 1.089 0.893
16 HD1 TYR 3 1HD TYR 3 1.268 1.194 2.021
17 HD2 TYR 3 2HD TYR 3 -1.829 3.124 -0.157
18 HE1 TYR 3 1HE TYR 3 2.887 2.821 1.175
19 HE2 TYR 3 2HE TYR 3 -0.260 4.743 -1.010
20 HH TYR 3 HH TYR 3 2.001 5.690 -0.157
21 H THR 4 H THR 4 -0.519 3.468 3.386
22 HA THR 4 HA THR 4 -2.976 5.046 3.465
23 HB THR 4 HB THR 4 -0.450 5.634 5.024
24 HG1 THR 4 1HG THR 4 -1.945 3.688 5.464
25 HG21 THR 4 1HG2 THR 4 -3.279 6.695 5.244
26 HG22 THR 4 2HG2 THR 4 -1.912 7.569 4.554
27 HG23 THR 4 3HG2 THR 4 -1.922 7.162 6.269
28 H CYS 5 H CYS 5 -3.048 6.419 1.841
29 HA CYS 5 HA CYS 5 -0.548 7.237 0.554
30 HB2 CYS 5 2HB CYS 5 -2.166 6.119 -0.949
31 HB3 CYS 5 1HB CYS 5 -3.405 7.273 -0.479
32 HA DPR 6 HA DPR 6 -1.143 11.513 1.707
33 HB2 DPR 6 1HB DPR 6 0.272 10.549 4.133
34 HB3 DPR 6 2HB DPR 6 0.644 11.961 3.123
35 HG2 DPR 6 1HG DPR 6 2.145 9.782 2.995
36 HG3 DPR 6 2HG DPR 6 1.703 10.653 1.517
37 HD2 DPR 6 1HD DPR 6 0.619 8.104 2.607
38 HD3 DPR 6 2HD DPR 6 0.929 8.589 0.928
39 HA PRO 7 HA PRO 7 -4.016 11.247 5.204
40 HB2 PRO 7 2HB PRO 7 -5.917 12.831 4.259
41 HB3 PRO 7 1HB PRO 7 -4.327 13.490 4.664
42 HG2 PRO 7 2HG PRO 7 -5.470 12.829 1.980
43 HG3 PRO 7 1HG PRO 7 -4.466 14.206 2.462
44 HD2 PRO 7 2HD PRO 7 -3.548 11.859 1.227
45 HD3 PRO 7 1HD PRO 7 -2.542 13.050 2.075
46 H GLN 8 H GLN 8 -4.277 9.775 2.233
47 HA GLN 8 HA GLN 8 -7.067 8.996 2.495
48 HB2 GLN 8 2HB GLN 8 -5.055 8.582 0.290
49 HB3 GLN 8 1HB GLN 8 -6.680 7.910 0.267
50 HG2 GLN 8 2HG GLN 8 -6.023 10.843 0.427
51 HG3 GLN 8 1HG GLN 8 -6.476 9.983 -1.044
52 HE21 GLN 8 1HE2 GLN 8 -7.802 12.198 0.351
53 HE22 GLN 8 2HE2 GLN 8 -9.394 11.630 0.692
54 H THR 9 H THR 9 -7.640 7.142 3.365
55 HA THR 9 HA THR 9 -5.646 5.120 3.957
56 HB THR 9 HB THR 9 -8.652 5.080 4.432
57 HG1 THR 9 1HG THR 9 -6.717 5.761 6.398
58 HG21 THR 9 1HG2 THR 9 -6.377 3.598 5.779
59 HG22 THR 9 2HG2 THR 9 -7.511 2.902 4.621
60 HG23 THR 9 3HG2 THR 9 -8.086 3.455 6.194
61 H TYR 10 H TYR 10 -5.173 3.558 2.656
62 HA TYR 10 HA TYR 10 -6.912 3.203 0.339
63 HB2 TYR 10 2HB TYR 10 -4.682 4.266 -0.029
64 HB3 TYR 10 1HB TYR 10 -3.925 2.818 0.598
65 HD1 TYR 10 1HD TYR 10 -6.344 3.876 -1.940
66 HD2 TYR 10 2HD TYR 10 -3.239 1.238 -0.891
67 HE1 TYR 10 1HE TYR 10 -6.358 2.974 -4.257
68 HE2 TYR 10 2HE TYR 10 -3.212 0.302 -3.172
69 HH TYR 10 HH TYR 10 -4.622 0.125 -5.095
70 H THR 11 H THR 11 -7.795 1.237 0.183
71 HA THR 11 HA THR 11 -6.820 -0.864 1.919
72 HB THR 11 HB THR 11 -8.861 -2.115 1.048
73 HG1 THR 11 1HG THR 11 -9.583 0.463 0.030
74 HG21 THR 11 1HG2 THR 11 -10.429 -0.831 2.437
75 HG22 THR 11 2HG2 THR 11 -9.312 0.538 2.410
76 HG23 THR 11 3HG2 THR 11 -8.839 -0.971 3.191
77 H PHE 12 H PHE 12 -5.631 -2.514 1.224
78 HA PHE 12 HA PHE 12 -4.999 -2.432 -1.627
79 HB2 PHE 12 2HB PHE 12 -3.253 -2.131 0.370
80 HB3 PHE 12 1HB PHE 12 -3.311 -3.893 0.346
81 HD1 PHE 12 1HD PHE 12 -2.502 -5.136 -1.550
82 HD2 PHE 12 2HD PHE 12 -2.248 -0.912 -1.425
83 HE1 PHE 12 1HE PHE 12 -0.923 -5.179 -3.452
84 HE2 PHE 12 2HE PHE 12 -0.658 -0.934 -3.308
85 HZ PHE 12 HZ PHE 12 0.002 -3.074 -4.323
86 HA PRO 13 HA PRO 13 -7.084 -6.323 -2.226
87 HB2 PRO 13 2HB PRO 13 -5.388 -7.285 -4.237
88 HB3 PRO 13 1HB PRO 13 -6.810 -6.278 -4.493
89 HG2 PRO 13 2HG PRO 13 -3.937 -5.505 -4.363
90 HG3 PRO 13 1HG PRO 13 -5.233 -4.847 -5.375
91 HD2 PRO 13 2HD PRO 13 -4.312 -3.540 -3.237
92 HD3 PRO 13 1HD PRO 13 -6.032 -3.483 -3.673
93 H THR 14 H THR 14 -3.559 -6.853 -2.697
94 HA THR 14 HA THR 14 -3.786 -9.219 -1.033
95 HB THR 14 HB THR 14 -1.493 -9.611 -2.213
96 HG1 THR 14 1HG THR 14 -1.495 -8.540 -4.282
97 HG21 THR 14 1HG2 THR 14 -4.110 -9.715 -3.740
98 HG22 THR 14 2HG2 THR 14 -3.527 -10.948 -2.621
99 HG23 THR 14 3HG2 THR 14 -2.656 -10.636 -4.122
100 H CYS 15 H CYS 15 -2.744 -9.271 0.856
101 HA CYS 15 HA CYS 15 -1.585 -6.915 1.874
102 HB2 CYS 15 2HB CYS 15 -2.811 -8.601 3.238
103 HB3 CYS 15 1HB CYS 15 -1.414 -9.666 3.066
104 H GLU 16 H GLU 16 -0.165 -9.869 0.582
105 HA GLU 16 HA GLU 16 2.486 -9.448 1.390
106 HB2 GLU 16 2HB GLU 16 1.610 -11.544 0.422
107 HB3 GLU 16 1HB GLU 16 1.440 -10.726 -1.124
108 HG2 GLU 16 2HG GLU 16 3.878 -10.362 -1.124
109 HG3 GLU 16 1HG GLU 16 3.987 -11.368 0.324
110 H GLU 17 H GLU 17 0.701 -8.363 -1.447
111 HA GLU 17 HA GLU 17 2.959 -7.019 -2.566
112 HB2 GLU 17 2HB GLU 17 0.043 -7.016 -3.305
113 HB3 GLU 17 1HB GLU 17 1.269 -6.118 -4.202
114 HG2 GLU 17 2HG GLU 17 2.406 -8.173 -4.754
115 HG3 GLU 17 1HG GLU 17 1.286 -9.093 -3.754
116 H ALA 18 H ALA 18 0.391 -6.195 -0.406
117 HA ALA 18 HA ALA 18 0.550 -3.393 -0.531
118 HB1 ALA 18 1HB ALA 18 -1.210 -4.576 0.719
119 HB2 ALA 18 2HB ALA 18 -0.386 -3.391 1.735
120 HB3 ALA 18 3HB ALA 18 -0.011 -5.106 1.897
121 H LYS 19 H LYS 19 2.557 -5.777 0.963
122 HA LYS 19 HA LYS 19 4.161 -3.884 2.432
123 HB2 LYS 19 2HB LYS 19 4.573 -6.818 1.846
124 HB3 LYS 19 1HB LYS 19 5.489 -5.859 3.004
125 HG2 LYS 19 2HG LYS 19 3.559 -5.561 4.392
126 HG3 LYS 19 1HG LYS 19 2.512 -6.281 3.174
127 HD2 LYS 19 2HD LYS 19 2.948 -7.864 4.962
128 HD3 LYS 19 1HD LYS 19 3.679 -8.424 3.459
129 HE2 LYS 19 2HE LYS 19 5.846 -7.560 4.213
130 HE3 LYS 19 1HE LYS 19 5.098 -7.019 5.709
131 HZ1 LYS 19 1HZ LYS 19 5.357 -9.818 4.770
132 HZ2 LYS 19 2HZ LYS 19 4.531 -9.382 6.156
133 HZ3 LYS 19 3HZ LYS 19 6.195 -9.116 6.046
134 H LYS 20 H LYS 20 3.958 -4.954 -0.748
135 HA LYS 20 HA LYS 20 6.779 -4.687 -1.411
136 HB2 LYS 20 2HB LYS 20 5.352 -6.446 -2.450
137 HB3 LYS 20 1HB LYS 20 4.327 -5.195 -3.118
138 HG2 LYS 20 2HG LYS 20 5.745 -6.048 -4.842
139 HG3 LYS 20 1HG LYS 20 6.243 -4.402 -4.453
140 HD2 LYS 20 2HD LYS 20 8.105 -5.208 -3.176
141 HD3 LYS 20 1HD LYS 20 7.561 -6.876 -3.353
142 HE2 LYS 20 2HE LYS 20 9.387 -6.412 -4.889
143 HE3 LYS 20 1HE LYS 20 7.900 -6.726 -5.773
144 HZ1 LYS 20 1HZ LYS 20 7.641 -4.316 -6.071
145 HZ2 LYS 20 2HZ LYS 20 9.086 -4.887 -6.711
146 HZ3 LYS 20 3HZ LYS 20 9.103 -4.050 -5.262
147 H MET 21 H MET 21 3.692 -3.130 -1.765
148 HA MET 21 HA MET 21 4.150 -0.989 -3.423
149 HB2 MET 21 2HB MET 21 1.955 -1.600 -2.580
150 HB3 MET 21 1HB MET 21 2.443 -1.218 -0.941
151 HG2 MET 21 2HG MET 21 1.013 0.516 -1.794
152 HG3 MET 21 1HG MET 21 2.641 1.152 -1.576
153 HE1 MET 21 1HE MET 21 1.819 3.257 -3.044
154 HE2 MET 21 2HE MET 21 0.249 2.492 -3.279
155 HE3 MET 21 3HE MET 21 1.149 3.096 -4.669
156 H LYS 22 H LYS 22 5.856 0.274 -3.261
157 HA LYS 22 HA LYS 22 7.220 0.954 -0.900
158 HB2 LYS 22 2HB LYS 22 7.168 2.423 -3.542
159 HB3 LYS 22 1HB LYS 22 8.263 2.800 -2.229
160 HG2 LYS 22 2HG LYS 22 9.287 0.582 -2.454
161 HG3 LYS 22 1HG LYS 22 8.178 0.212 -3.780
162 HD2 LYS 22 2HD LYS 22 9.067 2.122 -5.045
163 HD3 LYS 22 1HD LYS 22 10.183 2.474 -3.729
164 HE2 LYS 22 2HE LYS 22 11.269 0.305 -4.079
165 HE3 LYS 22 1HE LYS 22 10.137 -0.053 -5.379
166 HZ1 LYS 22 1HZ LYS 22 12.104 2.183 -5.374
167 HZ2 LYS 22 2HZ LYS 22 10.989 1.860 -6.591
168 HZ3 LYS 22 3HZ LYS 22 12.212 0.764 -6.275
169 H LYS 23 H LYS 23 7.131 2.787 0.378
170 HA LYS 23 HA LYS 23 4.573 4.065 0.426
171 HB2 LYS 23 2HB LYS 23 6.980 4.385 2.223
172 HB3 LYS 23 1HB LYS 23 5.471 5.261 2.451
173 HG2 LYS 23 2HG LYS 23 4.277 3.157 2.742
174 HG3 LYS 23 1HG LYS 23 5.775 2.265 2.485
175 HD2 LYS 23 2HD LYS 23 6.730 3.254 4.489
176 HD3 LYS 23 1HD LYS 23 5.278 4.241 4.701
177 HE2 LYS 23 2HE LYS 23 3.933 2.255 5.020
178 HE3 LYS 23 1HE LYS 23 5.325 1.231 4.693
179 HZ1 LYS 23 1HZ LYS 23 6.369 2.081 6.711
180 HZ2 LYS 23 2HZ LYS 23 4.870 1.401 7.054
181 HZ3 LYS 23 3HZ LYS 23 5.042 3.081 7.001
182 H ARG 24 H ARG 24 4.410 5.190 -1.309
183 HA ARG 24 HA ARG 24 5.689 7.818 -1.394
184 HB2 ARG 24 2HB ARG 24 7.030 6.298 -2.932
185 HB3 ARG 24 1HB ARG 24 5.555 6.050 -3.851
186 HG2 ARG 24 2HG ARG 24 5.543 8.657 -3.999
187 HG3 ARG 24 1HG ARG 24 7.264 8.471 -3.655
188 HD2 ARG 24 2HD ARG 24 7.021 8.512 -6.023
189 HD3 ARG 24 1HD ARG 24 7.368 6.843 -5.571
190 HE ARG 24 HE ARG 24 4.648 7.002 -5.583
191 HH11 ARG 24 1HH1 ARG 24 7.125 7.541 -8.043
192 HH12 ARG 24 2HH1 ARG 24 6.066 7.261 -9.353
193 HH21 ARG 24 1HH2 ARG 24 3.243 6.655 -7.314
194 HH22 ARG 24 2HH2 ARG 24 3.800 6.726 -8.940
195 H CYS 25 H CYS 25 3.713 5.564 -3.243
196 HA CYS 25 HA CYS 25 1.653 5.525 -4.015
197 HB2 CYS 25 2HB CYS 25 0.883 6.364 -1.787
198 HB3 CYS 25 1HB CYS 25 1.089 8.010 -2.364
Start of MODEL 17
1 H1 CYS 1 1HT CYS 1 -3.665 -5.577 5.812
2 H2 CYS 1 2HT CYS 1 -2.876 -4.764 7.068
3 H3 CYS 1 3HT CYS 1 -2.135 -6.084 6.333
4 HA CYS 1 HA CYS 1 -1.203 -4.007 5.688
5 HB2 CYS 1 2HB CYS 1 -2.546 -5.710 3.611
6 HB3 CYS 1 1HB CYS 1 -1.448 -4.413 3.171
7 H SER 2 H SER 2 -2.074 -2.140 6.379
8 HA SER 2 HA SER 2 -4.092 -0.933 4.642
9 HB2 SER 2 2HB SER 2 -3.413 -0.270 7.518
10 HB3 SER 2 1HB SER 2 -4.652 0.508 6.539
11 HG SER 2 HG SER 2 -4.726 -2.271 6.866
12 H TYR 3 H TYR 3 -3.610 1.237 4.031
13 HA TYR 3 HA TYR 3 -0.997 2.259 4.712
14 HB2 TYR 3 2HB TYR 3 -0.676 0.881 2.678
15 HB3 TYR 3 1HB TYR 3 -1.944 1.772 1.863
16 HD1 TYR 3 1HD TYR 3 1.387 2.142 3.433
17 HD2 TYR 3 2HD TYR 3 -1.394 3.736 0.642
18 HE1 TYR 3 1HE TYR 3 3.080 3.708 2.649
19 HE2 TYR 3 2HE TYR 3 0.306 5.320 -0.140
20 HH TYR 3 HH TYR 3 3.543 4.952 0.656
21 H THR 4 H THR 4 -0.876 4.585 4.037
22 HA THR 4 HA THR 4 -3.489 5.771 3.512
23 HB THR 4 HB THR 4 -1.536 6.775 5.616
24 HG1 THR 4 1HG THR 4 -3.958 6.004 6.569
25 HG21 THR 4 1HG2 THR 4 -4.372 7.608 4.949
26 HG22 THR 4 2HG2 THR 4 -2.917 8.532 4.580
27 HG23 THR 4 3HG2 THR 4 -3.389 8.264 6.258
28 H CYS 5 H CYS 5 -3.285 7.311 1.943
29 HA CYS 5 HA CYS 5 -0.629 8.389 1.436
30 HB2 CYS 5 2HB CYS 5 -1.389 6.757 -0.332
31 HB3 CYS 5 1HB CYS 5 -2.767 7.804 -0.637
32 HA DPR 6 HA DPR 6 -2.226 12.526 1.505
33 HB2 DPR 6 1HB DPR 6 -1.767 12.186 4.420
34 HB3 DPR 6 2HB DPR 6 -1.223 13.506 3.367
35 HG2 DPR 6 1HG DPR 6 0.511 11.701 4.160
36 HG3 DPR 6 2HG DPR 6 0.485 12.156 2.443
37 HD2 DPR 6 1HD DPR 6 -0.692 9.740 3.782
38 HD3 DPR 6 2HD DPR 6 0.280 9.860 2.299
39 HA PRO 7 HA PRO 7 -6.180 12.610 3.646
40 HB2 PRO 7 2HB PRO 7 -7.676 13.492 1.630
41 HB3 PRO 7 1HB PRO 7 -6.466 14.537 2.383
42 HG2 PRO 7 2HG PRO 7 -6.315 13.017 -0.191
43 HG3 PRO 7 1HG PRO 7 -5.758 14.660 0.167
44 HD2 PRO 7 2HD PRO 7 -4.131 12.416 0.123
45 HD3 PRO 7 1HD PRO 7 -3.759 13.920 0.989
46 H GLN 8 H GLN 8 -5.147 10.347 1.486
47 HA GLN 8 HA GLN 8 -7.788 9.072 1.232
48 HB2 GLN 8 2HB GLN 8 -5.272 8.586 -0.345
49 HB3 GLN 8 1HB GLN 8 -6.788 7.732 -0.544
50 HG2 GLN 8 2HG GLN 8 -7.852 9.772 -1.303
51 HG3 GLN 8 1HG GLN 8 -6.350 10.660 -1.042
52 HE21 GLN 8 1HE2 GLN 8 -6.427 7.393 -2.293
53 HE22 GLN 8 2HE2 GLN 8 -5.875 7.784 -3.872
54 H THR 9 H THR 9 -8.050 7.193 2.319
55 HA THR 9 HA THR 9 -5.679 5.980 3.443
56 HB THR 9 HB THR 9 -7.842 6.181 4.829
57 HG1 THR 9 1HG THR 9 -6.375 4.755 5.535
58 HG21 THR 9 1HG2 THR 9 -9.583 4.492 4.423
59 HG22 THR 9 2HG2 THR 9 -8.697 3.972 2.980
60 HG23 THR 9 3HG2 THR 9 -9.413 5.584 3.036
61 H TYR 10 H TYR 10 -5.198 3.743 2.926
62 HA TYR 10 HA TYR 10 -6.149 3.061 0.252
63 HB2 TYR 10 2HB TYR 10 -3.997 4.344 0.304
64 HB3 TYR 10 1HB TYR 10 -3.301 3.019 1.210
65 HD1 TYR 10 1HD TYR 10 -4.674 4.068 -2.007
66 HD2 TYR 10 2HD TYR 10 -2.588 1.013 0.075
67 HE1 TYR 10 1HE TYR 10 -4.040 3.061 -4.143
68 HE2 TYR 10 2HE TYR 10 -1.944 -0.005 -2.038
69 HH TYR 10 HH TYR 10 -2.921 0.010 -4.467
70 H THR 11 H THR 11 -6.587 0.950 0.060
71 HA THR 11 HA THR 11 -5.453 -0.940 1.980
72 HB THR 11 HB THR 11 -8.321 -0.937 0.974
73 HG1 THR 11 1HG THR 11 -7.122 0.456 2.905
74 HG21 THR 11 1HG2 THR 11 -6.956 -2.553 3.152
75 HG22 THR 11 2HG2 THR 11 -7.425 -3.169 1.568
76 HG23 THR 11 3HG2 THR 11 -8.662 -2.654 2.715
77 H PHE 12 H PHE 12 -4.722 -2.780 1.035
78 HA PHE 12 HA PHE 12 -4.919 -2.777 -1.889
79 HB2 PHE 12 2HB PHE 12 -2.698 -2.284 -0.705
80 HB3 PHE 12 1HB PHE 12 -2.733 -3.975 -0.223
81 HD1 PHE 12 1HD PHE 12 -2.413 -1.662 -2.985
82 HD2 PHE 12 2HD PHE 12 -2.269 -5.713 -1.797
83 HE1 PHE 12 1HE PHE 12 -1.314 -2.236 -5.124
84 HE2 PHE 12 2HE PHE 12 -1.193 -6.313 -3.918
85 HZ PHE 12 HZ PHE 12 -0.703 -4.568 -5.579
86 HA PRO 13 HA PRO 13 -7.167 -6.610 -1.654
87 HB2 PRO 13 2HB PRO 13 -5.984 -7.830 -3.891
88 HB3 PRO 13 1HB PRO 13 -7.428 -6.820 -3.899
89 HG2 PRO 13 2HG PRO 13 -4.603 -6.097 -4.519
90 HG3 PRO 13 1HG PRO 13 -6.104 -5.500 -5.251
91 HD2 PRO 13 2HD PRO 13 -4.720 -4.014 -3.535
92 HD3 PRO 13 1HD PRO 13 -6.496 -4.002 -3.511
93 H THR 14 H THR 14 -3.787 -7.266 -2.686
94 HA THR 14 HA THR 14 -3.835 -9.613 -0.993
95 HB THR 14 HB THR 14 -1.713 -10.135 -2.364
96 HG1 THR 14 1HG THR 14 -1.606 -8.991 -4.348
97 HG21 THR 14 1HG2 THR 14 -4.390 -9.892 -3.749
98 HG22 THR 14 2HG2 THR 14 -3.824 -11.274 -2.804
99 HG23 THR 14 3HG2 THR 14 -3.042 -10.863 -4.327
100 H CYS 15 H CYS 15 -3.018 -9.315 0.982
101 HA CYS 15 HA CYS 15 -1.549 -7.080 1.810
102 HB2 CYS 15 2HB CYS 15 -2.954 -8.532 3.289
103 HB3 CYS 15 1HB CYS 15 -1.742 -9.790 3.162
104 H GLU 16 H GLU 16 -0.467 -10.216 0.653
105 HA GLU 16 HA GLU 16 2.251 -10.061 1.372
106 HB2 GLU 16 2HB GLU 16 1.258 -12.134 0.577
107 HB3 GLU 16 1HB GLU 16 0.921 -11.408 -0.987
108 HG2 GLU 16 2HG GLU 16 3.339 -11.181 -1.375
109 HG3 GLU 16 1HG GLU 16 3.641 -11.974 0.168
110 H GLU 17 H GLU 17 0.478 -8.852 -1.408
111 HA GLU 17 HA GLU 17 2.908 -7.882 -2.609
112 HB2 GLU 17 2HB GLU 17 0.073 -7.803 -3.558
113 HB3 GLU 17 1HB GLU 17 1.446 -7.186 -4.476
114 HG2 GLU 17 2HG GLU 17 2.403 -9.439 -4.488
115 HG3 GLU 17 1HG GLU 17 0.992 -10.026 -3.602
116 H ALA 18 H ALA 18 0.467 -6.720 -0.589
117 HA ALA 18 HA ALA 18 0.513 -3.961 -1.211
118 HB1 ALA 18 1HB ALA 18 -0.391 -3.620 1.011
119 HB2 ALA 18 2HB ALA 18 0.145 -5.227 1.497
120 HB3 ALA 18 3HB ALA 18 -1.130 -5.059 0.294
121 H LYS 19 H LYS 19 2.578 -6.030 0.570
122 HA LYS 19 HA LYS 19 4.273 -3.887 1.512
123 HB2 LYS 19 2HB LYS 19 4.457 -6.879 1.839
124 HB3 LYS 19 1HB LYS 19 5.440 -5.668 2.661
125 HG2 LYS 19 2HG LYS 19 3.517 -4.808 3.820
126 HG3 LYS 19 1HG LYS 19 2.450 -5.885 2.922
127 HD2 LYS 19 2HD LYS 19 2.883 -6.727 5.168
128 HD3 LYS 19 1HD LYS 19 3.531 -7.813 3.937
129 HE2 LYS 19 2HE LYS 19 5.754 -6.855 4.277
130 HE3 LYS 19 1HE LYS 19 5.089 -5.766 5.495
131 HZ1 LYS 19 1HZ LYS 19 5.179 -8.728 5.632
132 HZ2 LYS 19 2HZ LYS 19 4.506 -7.714 6.814
133 HZ3 LYS 19 3HZ LYS 19 6.154 -7.649 6.490
134 H LYS 20 H LYS 20 3.862 -5.545 -1.285
135 HA LYS 20 HA LYS 20 6.713 -5.781 -1.924
136 HB2 LYS 20 2HB LYS 20 5.168 -7.707 -2.427
137 HB3 LYS 20 1HB LYS 20 4.309 -6.654 -3.539
138 HG2 LYS 20 2HG LYS 20 6.323 -6.442 -4.901
139 HG3 LYS 20 1HG LYS 20 7.182 -7.497 -3.778
140 HD2 LYS 20 2HD LYS 20 5.569 -9.298 -4.258
141 HD3 LYS 20 1HD LYS 20 4.761 -8.243 -5.415
142 HE2 LYS 20 2HE LYS 20 6.256 -9.776 -6.568
143 HE3 LYS 20 1HE LYS 20 6.819 -8.118 -6.735
144 HZ1 LYS 20 1HZ LYS 20 7.918 -10.117 -4.815
145 HZ2 LYS 20 2HZ LYS 20 8.470 -8.536 -5.009
146 HZ3 LYS 20 3HZ LYS 20 8.629 -9.642 -6.260
147 H MET 21 H MET 21 3.670 -4.445 -3.165
148 HA MET 21 HA MET 21 5.037 -2.612 -4.913
149 HB2 MET 21 2HB MET 21 2.854 -3.603 -5.578
150 HB3 MET 21 1HB MET 21 2.098 -2.861 -4.179
151 HG2 MET 21 2HG MET 21 1.577 -1.603 -6.172
152 HG3 MET 21 1HG MET 21 2.599 -0.638 -5.108
153 HE1 MET 21 1HE MET 21 2.070 0.055 -8.191
154 HE2 MET 21 2HE MET 21 3.696 0.512 -8.703
155 HE3 MET 21 3HE MET 21 3.086 1.034 -7.132
156 H LYS 22 H LYS 22 6.247 -1.540 -3.437
157 HA LYS 22 HA LYS 22 4.968 -0.252 -1.209
158 HB2 LYS 22 2HB LYS 22 7.855 -0.456 -2.025
159 HB3 LYS 22 1HB LYS 22 7.297 0.492 -0.652
160 HG2 LYS 22 2HG LYS 22 6.428 -1.481 0.427
161 HG3 LYS 22 1HG LYS 22 6.821 -2.464 -0.980
162 HD2 LYS 22 2HD LYS 22 8.467 -2.764 0.806
163 HD3 LYS 22 1HD LYS 22 9.197 -2.041 -0.624
164 HE2 LYS 22 2HE LYS 22 10.026 -0.967 1.382
165 HE3 LYS 22 1HE LYS 22 9.067 0.170 0.446
166 HZ1 LYS 22 1HZ LYS 22 8.125 -1.302 2.860
167 HZ2 LYS 22 2HZ LYS 22 7.227 -0.168 2.009
168 HZ3 LYS 22 3HZ LYS 22 8.616 0.300 2.818
169 H LYS 23 H LYS 23 4.192 1.606 -1.267
170 HA LYS 23 HA LYS 23 5.272 3.540 -3.133
171 HB2 LYS 23 2HB LYS 23 2.931 4.609 -2.990
172 HB3 LYS 23 1HB LYS 23 3.147 3.168 -3.986
173 HG2 LYS 23 2HG LYS 23 2.168 1.842 -2.133
174 HG3 LYS 23 1HG LYS 23 1.901 3.344 -1.244
175 HD2 LYS 23 2HD LYS 23 -0.133 2.623 -2.410
176 HD3 LYS 23 1HD LYS 23 0.449 4.164 -3.044
177 HE2 LYS 23 2HE LYS 23 1.496 2.969 -4.937
178 HE3 LYS 23 1HE LYS 23 0.888 1.443 -4.301
179 HZ1 LYS 23 1HZ LYS 23 -1.355 2.188 -4.724
180 HZ2 LYS 23 2HZ LYS 23 -0.441 2.362 -6.117
181 HZ3 LYS 23 3HZ LYS 23 -0.810 3.716 -5.196
182 H ARG 24 H ARG 24 5.012 5.790 -2.399
183 HA ARG 24 HA ARG 24 5.215 5.966 0.498
184 HB2 ARG 24 2HB ARG 24 7.489 5.701 -0.496
185 HB3 ARG 24 1HB ARG 24 7.205 7.163 -1.422
186 HG2 ARG 24 2HG ARG 24 6.975 8.442 0.635
187 HG3 ARG 24 1HG ARG 24 7.265 6.980 1.577
188 HD2 ARG 24 2HD ARG 24 9.176 8.233 -0.378
189 HD3 ARG 24 1HD ARG 24 9.286 8.329 1.378
190 HE ARG 24 HE ARG 24 9.227 5.687 0.901
191 HH11 ARG 24 1HH1 ARG 24 11.237 8.314 -0.363
192 HH12 ARG 24 2HH1 ARG 24 12.619 7.355 -0.613
193 HH21 ARG 24 1HH2 ARG 24 11.144 4.336 0.578
194 HH22 ARG 24 2HH2 ARG 24 12.556 5.029 -0.045
195 H CYS 25 H CYS 25 3.876 7.456 1.114
196 HA CYS 25 HA CYS 25 3.468 9.840 -0.523
197 HB2 CYS 25 2HB CYS 25 1.429 8.309 1.099
198 HB3 CYS 25 1HB CYS 25 1.130 9.853 0.308
Start of MODEL 18
1 H1 CYS 1 1HT CYS 1 -5.597 -6.087 4.903
2 H2 CYS 1 2HT CYS 1 -5.694 -5.361 3.391
3 H3 CYS 1 3HT CYS 1 -6.413 -4.624 4.701
4 HA CYS 1 HA CYS 1 -4.320 -4.228 5.708
5 HB2 CYS 1 2HB CYS 1 -3.183 -5.591 3.250
6 HB3 CYS 1 1HB CYS 1 -2.239 -4.762 4.468
7 H SER 2 H SER 2 -4.052 -2.080 5.603
8 HA SER 2 HA SER 2 -4.102 -0.821 2.977
9 HB2 SER 2 2HB SER 2 -5.673 0.094 5.392
10 HB3 SER 2 1HB SER 2 -5.566 0.939 3.851
11 HG SER 2 HG SER 2 -6.853 -1.456 4.505
12 H TYR 3 H TYR 3 -3.122 1.123 2.867
13 HA TYR 3 HA TYR 3 -1.231 1.907 4.975
14 HB2 TYR 3 2HB TYR 3 -0.002 1.193 3.031
15 HB3 TYR 3 1HB TYR 3 -1.149 1.945 1.944
16 HD1 TYR 3 1HD TYR 3 1.391 2.876 4.556
17 HD2 TYR 3 2HD TYR 3 -0.566 3.920 0.924
18 HE1 TYR 3 1HE TYR 3 2.862 4.825 4.321
19 HE2 TYR 3 2HE TYR 3 0.882 5.856 0.676
20 HH TYR 3 HH TYR 3 2.256 7.311 2.066
21 H THR 4 H THR 4 -0.913 4.439 4.850
22 HA THR 4 HA THR 4 -3.400 5.672 3.953
23 HB THR 4 HB THR 4 -1.849 6.509 6.419
24 HG1 THR 4 1HG THR 4 -2.897 4.436 6.630
25 HG21 THR 4 1HG2 THR 4 -3.868 7.842 6.877
26 HG22 THR 4 2HG2 THR 4 -4.597 7.250 5.387
27 HG23 THR 4 3HG2 THR 4 -3.168 8.280 5.319
28 H CYS 5 H CYS 5 -3.023 7.104 2.411
29 HA CYS 5 HA CYS 5 -0.365 8.334 2.212
30 HB2 CYS 5 2HB CYS 5 -1.231 6.900 0.293
31 HB3 CYS 5 1HB CYS 5 -2.519 8.078 0.094
32 HA DPR 6 HA DPR 6 -2.254 12.394 2.585
33 HB2 DPR 6 1HB DPR 6 -1.063 12.134 5.294
34 HB3 DPR 6 2HB DPR 6 -0.876 13.460 4.134
35 HG2 DPR 6 1HG DPR 6 1.118 11.762 4.568
36 HG3 DPR 6 2HG DPR 6 0.745 12.306 2.921
37 HD2 DPR 6 1HD DPR 6 0.082 9.708 4.250
38 HD3 DPR 6 2HD DPR 6 0.655 10.030 2.597
39 HA PRO 7 HA PRO 7 -5.386 11.491 5.723
40 HB2 PRO 7 2HB PRO 7 -7.421 12.758 4.572
41 HB3 PRO 7 1HB PRO 7 -6.086 13.660 5.299
42 HG2 PRO 7 2HG PRO 7 -6.692 13.171 2.427
43 HG3 PRO 7 1HG PRO 7 -5.930 14.572 3.193
44 HD2 PRO 7 2HD PRO 7 -4.617 12.421 1.892
45 HD3 PRO 7 1HD PRO 7 -3.861 13.705 2.855
46 H GLN 8 H GLN 8 -5.003 10.246 2.629
47 HA GLN 8 HA GLN 8 -7.635 8.949 2.507
48 HB2 GLN 8 2HB GLN 8 -5.477 9.309 0.434
49 HB3 GLN 8 1HB GLN 8 -6.989 8.456 0.169
50 HG2 GLN 8 2HG GLN 8 -8.251 10.463 0.472
51 HG3 GLN 8 1HG GLN 8 -6.811 11.345 0.980
52 HE21 GLN 8 1HE2 GLN 8 -8.676 11.824 -1.219
53 HE22 GLN 8 2HE2 GLN 8 -7.700 11.860 -2.643
54 H THR 9 H THR 9 -7.777 6.814 2.952
55 HA THR 9 HA THR 9 -5.298 5.410 3.365
56 HB THR 9 HB THR 9 -7.147 5.168 5.050
57 HG1 THR 9 1HG THR 9 -5.486 3.491 4.532
58 HG21 THR 9 1HG2 THR 9 -9.068 5.141 3.523
59 HG22 THR 9 2HG2 THR 9 -9.051 3.690 4.529
60 HG23 THR 9 3HG2 THR 9 -8.515 3.606 2.850
61 H TYR 10 H TYR 10 -4.546 3.821 2.355
62 HA TYR 10 HA TYR 10 -5.420 3.380 -0.406
63 HB2 TYR 10 2HB TYR 10 -3.284 4.516 -0.069
64 HB3 TYR 10 1HB TYR 10 -2.766 3.236 1.011
65 HD1 TYR 10 1HD TYR 10 -3.607 4.029 -2.463
66 HD2 TYR 10 2HD TYR 10 -1.743 1.310 0.170
67 HE1 TYR 10 1HE TYR 10 -2.587 2.908 -4.377
68 HE2 TYR 10 2HE TYR 10 -0.690 0.158 -1.714
69 HH TYR 10 HH TYR 10 -0.562 1.462 -4.801
70 H THR 11 H THR 11 -6.664 1.589 -0.204
71 HA THR 11 HA THR 11 -5.795 -0.608 1.468
72 HB THR 11 HB THR 11 -8.292 -0.232 -0.211
73 HG1 THR 11 1HG THR 11 -7.631 0.016 2.525
74 HG21 THR 11 1HG2 THR 11 -7.636 -2.377 1.822
75 HG22 THR 11 2HG2 THR 11 -7.736 -2.630 0.079
76 HG23 THR 11 3HG2 THR 11 -9.181 -2.186 0.994
77 H PHE 12 H PHE 12 -5.116 -2.578 0.696
78 HA PHE 12 HA PHE 12 -4.470 -2.606 -2.160
79 HB2 PHE 12 2HB PHE 12 -2.654 -2.369 -0.215
80 HB3 PHE 12 1HB PHE 12 -2.925 -4.095 -0.107
81 HD1 PHE 12 1HD PHE 12 -2.012 -5.574 -1.601
82 HD2 PHE 12 2HD PHE 12 -1.919 -1.434 -2.406
83 HE1 PHE 12 1HE PHE 12 -0.507 -5.984 -3.510
84 HE2 PHE 12 2HE PHE 12 -0.407 -1.813 -4.304
85 HZ PHE 12 HZ PHE 12 0.306 -4.102 -4.855
86 HA PRO 13 HA PRO 13 -6.927 -6.375 -2.152
87 HB2 PRO 13 2HB PRO 13 -5.733 -7.614 -4.324
88 HB3 PRO 13 1HB PRO 13 -7.011 -6.406 -4.443
89 HG2 PRO 13 2HG PRO 13 -4.063 -6.089 -4.778
90 HG3 PRO 13 1HG PRO 13 -5.380 -5.304 -5.662
91 HD2 PRO 13 2HD PRO 13 -3.969 -4.042 -3.741
92 HD3 PRO 13 1HD PRO 13 -5.688 -3.703 -4.029
93 H THR 14 H THR 14 -3.524 -7.085 -3.053
94 HA THR 14 HA THR 14 -3.572 -9.521 -1.569
95 HB THR 14 HB THR 14 -1.150 -9.352 -2.692
96 HG1 THR 14 1HG THR 14 -1.208 -7.898 -4.451
97 HG21 THR 14 1HG2 THR 14 -2.130 -10.476 -4.660
98 HG22 THR 14 2HG2 THR 14 -3.730 -9.897 -4.199
99 HG23 THR 14 3HG2 THR 14 -2.886 -11.062 -3.179
100 H CYS 15 H CYS 15 -3.246 -9.174 0.590
101 HA CYS 15 HA CYS 15 -1.905 -7.002 1.704
102 HB2 CYS 15 2HB CYS 15 -3.511 -8.320 2.993
103 HB3 CYS 15 1HB CYS 15 -2.413 -9.694 2.965
104 H GLU 16 H GLU 16 -0.660 -10.179 0.825
105 HA GLU 16 HA GLU 16 1.855 -9.896 2.089
106 HB2 GLU 16 2HB GLU 16 1.074 -12.055 1.332
107 HB3 GLU 16 1HB GLU 16 1.031 -11.502 -0.332
108 HG2 GLU 16 2HG GLU 16 3.499 -11.162 -0.199
109 HG3 GLU 16 1HG GLU 16 3.460 -11.925 1.390
110 H GLU 17 H GLU 17 0.682 -9.075 -1.109
111 HA GLU 17 HA GLU 17 3.181 -8.178 -2.097
112 HB2 GLU 17 2HB GLU 17 1.491 -9.002 -3.617
113 HB3 GLU 17 1HB GLU 17 0.353 -7.785 -3.078
114 HG2 GLU 17 2HG GLU 17 1.726 -6.047 -4.087
115 HG3 GLU 17 1HG GLU 17 2.915 -7.258 -4.562
116 H ALA 18 H ALA 18 0.613 -6.747 -0.296
117 HA ALA 18 HA ALA 18 0.936 -4.040 -0.779
118 HB1 ALA 18 1HB ALA 18 0.231 -5.282 1.872
119 HB2 ALA 18 2HB ALA 18 -0.896 -4.985 0.549
120 HB3 ALA 18 3HB ALA 18 -0.115 -3.628 1.364
121 H LYS 19 H LYS 19 2.905 -6.099 1.281
122 HA LYS 19 HA LYS 19 4.324 -3.754 2.236
123 HB2 LYS 19 2HB LYS 19 5.684 -5.311 3.603
124 HB3 LYS 19 1HB LYS 19 3.964 -5.422 3.918
125 HG2 LYS 19 2HG LYS 19 3.854 -7.463 2.570
126 HG3 LYS 19 1HG LYS 19 5.587 -7.327 2.257
127 HD2 LYS 19 2HD LYS 19 6.086 -7.576 4.592
128 HD3 LYS 19 1HD LYS 19 4.375 -7.556 5.010
129 HE2 LYS 19 2HE LYS 19 4.054 -9.636 3.756
130 HE3 LYS 19 1HE LYS 19 5.766 -9.640 3.334
131 HZ1 LYS 19 1HZ LYS 19 5.242 -11.093 5.213
132 HZ2 LYS 19 2HZ LYS 19 4.711 -9.799 6.115
133 HZ3 LYS 19 3HZ LYS 19 6.326 -9.893 5.652
134 H LYS 20 H LYS 20 4.512 -5.717 -0.415
135 HA LYS 20 HA LYS 20 7.394 -5.345 -0.743
136 HB2 LYS 20 2HB LYS 20 6.438 -7.549 -1.372
137 HB3 LYS 20 1HB LYS 20 5.383 -6.752 -2.529
138 HG2 LYS 20 2HG LYS 20 7.326 -6.003 -3.799
139 HG3 LYS 20 1HG LYS 20 8.387 -6.779 -2.631
140 HD2 LYS 20 2HD LYS 20 7.453 -8.956 -3.209
141 HD3 LYS 20 1HD LYS 20 6.347 -8.186 -4.351
142 HE2 LYS 20 2HE LYS 20 8.256 -9.114 -5.539
143 HE3 LYS 20 1HE LYS 20 8.269 -7.360 -5.638
144 HZ1 LYS 20 1HZ LYS 20 9.967 -7.299 -3.909
145 HZ2 LYS 20 2HZ LYS 20 10.487 -8.285 -5.167
146 HZ3 LYS 20 3HZ LYS 20 9.921 -8.965 -3.753
147 H MET 21 H MET 21 4.297 -4.329 -1.914
148 HA MET 21 HA MET 21 5.065 -2.742 -4.074
149 HB2 MET 21 2HB MET 21 2.767 -3.449 -3.746
150 HB3 MET 21 1HB MET 21 2.692 -2.592 -2.215
151 HG2 MET 21 2HG MET 21 1.524 -1.367 -3.959
152 HG3 MET 21 1HG MET 21 2.918 -0.465 -3.378
153 HE1 MET 21 1HE MET 21 1.263 0.077 -6.113
154 HE2 MET 21 2HE MET 21 2.594 0.483 -7.195
155 HE3 MET 21 3HE MET 21 2.583 1.098 -5.541
156 H LYS 22 H LYS 22 6.089 -1.000 -4.058
157 HA LYS 22 HA LYS 22 6.893 0.289 -1.652
158 HB2 LYS 22 2HB LYS 22 7.191 1.184 -4.510
159 HB3 LYS 22 1HB LYS 22 7.957 1.963 -3.140
160 HG2 LYS 22 2HG LYS 22 8.466 -0.807 -4.191
161 HG3 LYS 22 1HG LYS 22 9.550 0.584 -4.234
162 HD2 LYS 22 2HD LYS 22 9.499 0.566 -1.718
163 HD3 LYS 22 1HD LYS 22 8.632 -0.964 -1.823
164 HE2 LYS 22 2HE LYS 22 10.973 -1.399 -1.500
165 HE3 LYS 22 1HE LYS 22 10.492 -1.912 -3.115
166 HZ1 LYS 22 1HZ LYS 22 11.434 0.121 -4.014
167 HZ2 LYS 22 2HZ LYS 22 12.597 -0.711 -3.112
168 HZ3 LYS 22 3HZ LYS 22 11.854 0.642 -2.468
169 H LYS 23 H LYS 23 5.795 1.656 -0.536
170 HA LYS 23 HA LYS 23 3.358 2.775 -1.319
171 HB2 LYS 23 2HB LYS 23 3.579 4.209 0.692
172 HB3 LYS 23 1HB LYS 23 3.934 2.530 1.047
173 HG2 LYS 23 2HG LYS 23 6.332 3.035 1.014
174 HG3 LYS 23 1HG LYS 23 5.971 4.724 0.656
175 HD2 LYS 23 2HD LYS 23 4.706 4.862 2.771
176 HD3 LYS 23 1HD LYS 23 5.155 3.198 3.126
177 HE2 LYS 23 2HE LYS 23 7.517 3.828 3.139
178 HE3 LYS 23 1HE LYS 23 7.081 5.490 2.750
179 HZ1 LYS 23 1HZ LYS 23 7.477 5.276 5.103
180 HZ2 LYS 23 2HZ LYS 23 6.395 4.017 5.231
181 HZ3 LYS 23 3HZ LYS 23 5.832 5.570 4.865
182 H ARG 24 H ARG 24 2.867 4.637 -2.350
183 HA ARG 24 HA ARG 24 5.090 6.333 -3.119
184 HB2 ARG 24 2HB ARG 24 4.788 4.638 -4.876
185 HB3 ARG 24 1HB ARG 24 3.101 5.094 -5.030
186 HG2 ARG 24 2HG ARG 24 4.485 6.014 -6.830
187 HG3 ARG 24 1HG ARG 24 3.742 7.280 -5.852
188 HD2 ARG 24 2HD ARG 24 6.086 7.764 -6.401
189 HD3 ARG 24 1HD ARG 24 5.815 7.631 -4.663
190 HE ARG 24 HE ARG 24 6.757 5.254 -6.046
191 HH11 ARG 24 1HH1 ARG 24 7.605 8.069 -4.052
192 HH12 ARG 24 2HH1 ARG 24 9.085 7.419 -3.544
193 HH21 ARG 24 1HH2 ARG 24 8.804 4.405 -5.380
194 HH22 ARG 24 2HH2 ARG 24 9.811 5.320 -4.351
195 H CYS 25 H CYS 25 4.527 8.202 -2.318
196 HA CYS 25 HA CYS 25 1.895 9.250 -2.948
197 HB2 CYS 25 2HB CYS 25 3.411 9.582 -0.317
198 HB3 CYS 25 1HB CYS 25 1.995 10.518 -0.786
Start of MODEL 19
1 H1 CYS 1 1HT CYS 1 -4.766 -5.050 5.685
2 H2 CYS 1 2HT CYS 1 -3.689 -6.267 5.256
3 H3 CYS 1 3HT CYS 1 -4.655 -5.553 4.078
4 HA CYS 1 HA CYS 1 -2.554 -4.214 5.627
5 HB2 CYS 1 2HB CYS 1 -2.610 -5.232 2.800
6 HB3 CYS 1 1HB CYS 1 -1.399 -4.128 3.406
7 H SER 2 H SER 2 -3.451 -2.278 6.048
8 HA SER 2 HA SER 2 -4.570 -0.814 3.783
9 HB2 SER 2 2HB SER 2 -4.714 -0.123 6.707
10 HB3 SER 2 1HB SER 2 -5.579 0.661 5.398
11 HG SER 2 HG SER 2 -7.077 -0.704 5.890
12 H TYR 3 H TYR 3 -3.669 1.036 3.189
13 HA TYR 3 HA TYR 3 -1.044 1.702 4.307
14 HB2 TYR 3 2HB TYR 3 -0.839 0.706 2.103
15 HB3 TYR 3 1HB TYR 3 -2.081 1.765 1.457
16 HD1 TYR 3 1HD TYR 3 1.307 1.756 2.931
17 HD2 TYR 3 2HD TYR 3 -1.483 3.815 0.487
18 HE1 TYR 3 1HE TYR 3 3.031 3.342 2.322
19 HE2 TYR 3 2HE TYR 3 0.214 5.428 -0.133
20 HH TYR 3 HH TYR 3 2.433 6.284 0.871
21 H THR 4 H THR 4 -0.497 3.992 4.197
22 HA THR 4 HA THR 4 -2.862 5.701 4.249
23 HB THR 4 HB THR 4 -0.164 6.222 5.502
24 HG1 THR 4 1HG THR 4 -2.587 5.312 6.706
25 HG21 THR 4 1HG2 THR 4 -1.542 8.223 5.073
26 HG22 THR 4 2HG2 THR 4 -1.403 7.900 6.801
27 HG23 THR 4 3HG2 THR 4 -2.886 7.479 5.943
28 H CYS 5 H CYS 5 -3.097 6.670 2.426
29 HA CYS 5 HA CYS 5 -0.822 7.675 0.837
30 HB2 CYS 5 2HB CYS 5 -2.163 6.170 -0.443
31 HB3 CYS 5 1HB CYS 5 -3.654 6.856 0.163
32 HA DPR 6 HA DPR 6 -2.200 11.920 1.403
33 HB2 DPR 6 1HB DPR 6 -0.313 11.671 3.708
34 HB3 DPR 6 2HB DPR 6 -0.405 12.966 2.499
35 HG2 DPR 6 1HG DPR 6 1.528 11.190 2.337
36 HG3 DPR 6 2HG DPR 6 0.634 11.624 0.865
37 HD2 DPR 6 1HD DPR 6 0.357 9.189 2.598
38 HD3 DPR 6 2HD DPR 6 0.389 9.324 0.826
39 HA PRO 7 HA PRO 7 -4.545 11.660 5.291
40 HB2 PRO 7 2HB PRO 7 -6.745 12.913 4.459
41 HB3 PRO 7 1HB PRO 7 -5.249 13.807 4.745
42 HG2 PRO 7 2HG PRO 7 -6.486 12.960 2.166
43 HG3 PRO 7 1HG PRO 7 -5.592 14.440 2.546
44 HD2 PRO 7 2HD PRO 7 -4.562 12.160 1.272
45 HD3 PRO 7 1HD PRO 7 -3.606 13.480 1.979
46 H GLN 8 H GLN 8 -4.876 9.965 2.460
47 HA GLN 8 HA GLN 8 -7.547 8.880 3.010
48 HB2 GLN 8 2HB GLN 8 -5.755 8.570 0.607
49 HB3 GLN 8 1HB GLN 8 -7.377 7.920 0.772
50 HG2 GLN 8 2HG GLN 8 -8.316 10.125 0.795
51 HG3 GLN 8 1HG GLN 8 -6.709 10.851 0.834
52 HE21 GLN 8 1HE2 GLN 8 -9.056 9.199 -1.135
53 HE22 GLN 8 2HE2 GLN 8 -8.286 9.517 -2.641
54 H THR 9 H THR 9 -7.826 6.799 3.570
55 HA THR 9 HA THR 9 -5.479 5.163 3.994
56 HB THR 9 HB THR 9 -8.392 4.580 4.639
57 HG1 THR 9 1HG THR 9 -6.282 5.584 6.263
58 HG21 THR 9 1HG2 THR 9 -6.940 2.586 4.531
59 HG22 THR 9 2HG2 THR 9 -7.436 2.915 6.193
60 HG23 THR 9 3HG2 THR 9 -5.815 3.348 5.655
61 H TYR 10 H TYR 10 -4.819 3.935 2.564
62 HA TYR 10 HA TYR 10 -6.424 3.379 0.185
63 HB2 TYR 10 2HB TYR 10 -4.241 4.690 0.176
64 HB3 TYR 10 1HB TYR 10 -3.462 3.191 0.638
65 HD1 TYR 10 1HD TYR 10 -2.970 1.529 -1.002
66 HD2 TYR 10 2HD TYR 10 -5.314 4.909 -1.977
67 HE1 TYR 10 1HE TYR 10 -2.687 1.008 -3.402
68 HE2 TYR 10 2HE TYR 10 -5.065 4.424 -4.376
69 HH TYR 10 HH TYR 10 -3.539 3.275 -5.822
70 H THR 11 H THR 11 -7.317 1.358 0.434
71 HA THR 11 HA THR 11 -5.846 -0.663 1.906
72 HB THR 11 HB THR 11 -8.499 -0.960 0.479
73 HG1 THR 11 1HG THR 11 -8.124 -0.151 3.212
74 HG21 THR 11 1HG2 THR 11 -8.881 -2.693 2.187
75 HG22 THR 11 2HG2 THR 11 -7.306 -2.342 2.896
76 HG23 THR 11 3HG2 THR 11 -7.410 -3.027 1.274
77 H PHE 12 H PHE 12 -4.530 -1.953 0.925
78 HA PHE 12 HA PHE 12 -4.310 -1.733 -1.927
79 HB2 PHE 12 2HB PHE 12 -2.403 -1.669 -0.192
80 HB3 PHE 12 1HB PHE 12 -2.619 -3.415 -0.112
81 HD1 PHE 12 1HD PHE 12 -1.944 -4.825 -1.951
82 HD2 PHE 12 2HD PHE 12 -1.576 -0.617 -2.136
83 HE1 PHE 12 1HE PHE 12 -0.505 -5.063 -3.922
84 HE2 PHE 12 2HE PHE 12 -0.113 -0.825 -4.121
85 HZ PHE 12 HZ PHE 12 0.421 -3.062 -5.013
86 HA PRO 13 HA PRO 13 -6.806 -5.288 -2.883
87 HB2 PRO 13 2HB PRO 13 -5.160 -6.227 -4.974
88 HB3 PRO 13 1HB PRO 13 -6.529 -5.119 -5.121
89 HG2 PRO 13 2HG PRO 13 -3.615 -4.521 -4.945
90 HG3 PRO 13 1HG PRO 13 -4.875 -3.706 -5.887
91 HD2 PRO 13 2HD PRO 13 -3.910 -2.615 -3.683
92 HD3 PRO 13 1HD PRO 13 -5.650 -2.516 -4.036
93 H THR 14 H THR 14 -3.334 -6.107 -3.296
94 HA THR 14 HA THR 14 -3.842 -8.603 -1.945
95 HB THR 14 HB THR 14 -1.417 -8.979 -2.859
96 HG1 THR 14 1HG THR 14 -1.141 -7.726 -4.815
97 HG21 THR 14 1HG2 THR 14 -2.338 -9.754 -4.995
98 HG22 THR 14 2HG2 THR 14 -3.779 -8.776 -4.735
99 HG23 THR 14 3HG2 THR 14 -3.443 -10.147 -3.676
100 H CYS 15 H CYS 15 -3.394 -8.668 0.135
101 HA CYS 15 HA CYS 15 -2.021 -6.650 1.531
102 HB2 CYS 15 2HB CYS 15 -3.806 -8.171 2.442
103 HB3 CYS 15 1HB CYS 15 -2.633 -9.468 2.451
104 H GLU 16 H GLU 16 -0.973 -9.758 0.206
105 HA GLU 16 HA GLU 16 1.582 -9.896 1.363
106 HB2 GLU 16 2HB GLU 16 0.660 -10.779 -1.360
107 HB3 GLU 16 1HB GLU 16 2.268 -11.083 -0.745
108 HG2 GLU 16 2HG GLU 16 1.247 -12.358 1.110
109 HG3 GLU 16 1HG GLU 16 -0.325 -12.144 0.328
110 H GLU 17 H GLU 17 0.469 -8.309 -1.575
111 HA GLU 17 HA GLU 17 3.108 -7.453 -2.174
112 HB2 GLU 17 2HB GLU 17 0.500 -6.788 -3.482
113 HB3 GLU 17 1HB GLU 17 2.077 -6.275 -4.084
114 HG2 GLU 17 2HG GLU 17 2.730 -8.636 -4.256
115 HG3 GLU 17 1HG GLU 17 1.106 -9.100 -3.750
116 H ALA 18 H ALA 18 0.460 -6.118 -0.448
117 HA ALA 18 HA ALA 18 1.151 -3.401 -0.538
118 HB1 ALA 18 1HB ALA 18 0.007 -4.920 1.795
119 HB2 ALA 18 2HB ALA 18 -0.914 -4.294 0.437
120 HB3 ALA 18 3HB ALA 18 -0.090 -3.175 1.531
121 H LYS 19 H LYS 19 2.500 -6.049 1.196
122 HA LYS 19 HA LYS 19 4.187 -4.421 2.848
123 HB2 LYS 19 2HB LYS 19 3.994 -7.399 2.400
124 HB3 LYS 19 1HB LYS 19 5.133 -6.663 3.528
125 HG2 LYS 19 2HG LYS 19 3.329 -5.710 4.815
126 HG3 LYS 19 1HG LYS 19 2.149 -6.275 3.643
127 HD2 LYS 19 2HD LYS 19 3.926 -8.117 5.237
128 HD3 LYS 19 1HD LYS 19 2.324 -7.615 5.772
129 HE2 LYS 19 2HE LYS 19 1.398 -8.553 3.660
130 HE3 LYS 19 1HE LYS 19 2.997 -9.179 3.276
131 HZ1 LYS 19 1HZ LYS 19 1.421 -9.850 5.687
132 HZ2 LYS 19 2HZ LYS 19 2.915 -10.531 5.275
133 HZ3 LYS 19 3HZ LYS 19 1.550 -10.827 4.335
134 H LYS 20 H LYS 20 4.293 -5.703 -0.274
135 HA LYS 20 HA LYS 20 7.191 -5.676 -0.608
136 HB2 LYS 20 2HB LYS 20 5.975 -7.396 -1.768
137 HB3 LYS 20 1HB LYS 20 4.816 -6.233 -2.385
138 HG2 LYS 20 2HG LYS 20 6.639 -5.242 -3.746
139 HG3 LYS 20 1HG LYS 20 7.678 -6.579 -3.235
140 HD2 LYS 20 2HD LYS 20 6.173 -8.181 -4.220
141 HD3 LYS 20 1HD LYS 20 5.015 -6.911 -4.607
142 HE2 LYS 20 2HE LYS 20 6.271 -7.563 -6.590
143 HE3 LYS 20 1HE LYS 20 6.625 -5.901 -6.142
144 HZ1 LYS 20 1HZ LYS 20 8.353 -8.227 -5.473
145 HZ2 LYS 20 2HZ LYS 20 8.702 -6.578 -5.215
146 HZ3 LYS 20 3HZ LYS 20 8.601 -7.174 -6.764
147 H MET 21 H MET 21 4.339 -3.919 -1.354
148 HA MET 21 HA MET 21 4.689 -2.133 -3.238
149 HB2 MET 21 2HB MET 21 2.690 -2.382 -1.920
150 HB3 MET 21 1HB MET 21 3.482 -1.658 -0.534
151 HG2 MET 21 2HG MET 21 3.733 0.434 -1.902
152 HG3 MET 21 1HG MET 21 2.708 -0.336 -3.113
153 HE1 MET 21 1HE MET 21 0.991 1.649 -3.029
154 HE2 MET 21 2HE MET 21 2.012 2.466 -1.846
155 HE3 MET 21 3HE MET 21 0.287 2.278 -1.539
156 H LYS 22 H LYS 22 6.229 -0.837 -3.695
157 HA LYS 22 HA LYS 22 7.801 0.560 -1.738
158 HB2 LYS 22 2HB LYS 22 8.601 1.917 -3.731
159 HB3 LYS 22 1HB LYS 22 8.875 0.191 -3.876
160 HG2 LYS 22 2HG LYS 22 6.891 0.028 -5.323
161 HG3 LYS 22 1HG LYS 22 6.683 1.773 -5.207
162 HD2 LYS 22 2HD LYS 22 8.858 2.115 -6.261
163 HD3 LYS 22 1HD LYS 22 9.118 0.369 -6.322
164 HE2 LYS 22 2HE LYS 22 7.183 0.125 -7.781
165 HE3 LYS 22 1HE LYS 22 6.893 1.862 -7.703
166 HZ1 LYS 22 1HZ LYS 22 8.008 1.278 -9.728
167 HZ2 LYS 22 2HZ LYS 22 9.260 0.516 -8.906
168 HZ3 LYS 22 3HZ LYS 22 9.060 2.186 -8.776
169 H LYS 23 H LYS 23 7.239 2.314 -0.650
170 HA LYS 23 HA LYS 23 4.510 3.031 -0.959
171 HB2 LYS 23 2HB LYS 23 4.647 4.212 1.091
172 HB3 LYS 23 1HB LYS 23 5.480 2.681 1.273
173 HG2 LYS 23 2HG LYS 23 7.630 3.899 1.000
174 HG3 LYS 23 1HG LYS 23 6.719 5.408 0.966
175 HD2 LYS 23 2HD LYS 23 6.838 3.423 3.250
176 HD3 LYS 23 1HD LYS 23 7.594 5.010 3.187
177 HE2 LYS 23 2HE LYS 23 4.607 4.491 3.162
178 HE3 LYS 23 1HE LYS 23 5.543 4.990 4.557
179 HZ1 LYS 23 1HZ LYS 23 4.423 6.844 3.583
180 HZ2 LYS 23 2HZ LYS 23 5.120 6.613 2.089
181 HZ3 LYS 23 3HZ LYS 23 6.066 7.068 3.412
182 H ARG 24 H ARG 24 3.607 4.943 -1.123
183 HA ARG 24 HA ARG 24 4.509 7.438 -1.515
184 HB2 ARG 24 2HB ARG 24 5.689 6.579 -3.569
185 HB3 ARG 24 1HB ARG 24 4.141 6.035 -4.196
186 HG2 ARG 24 2HG ARG 24 3.354 8.322 -4.329
187 HG3 ARG 24 1HG ARG 24 4.846 8.903 -3.586
188 HD2 ARG 24 2HD ARG 24 4.615 7.475 -6.231
189 HD3 ARG 24 1HD ARG 24 4.911 9.199 -5.997
190 HE ARG 24 HE ARG 24 6.883 8.057 -4.599
191 HH11 ARG 24 1HH1 ARG 24 5.838 7.776 -7.959
192 HH12 ARG 24 2HH1 ARG 24 7.320 7.213 -8.536
193 HH21 ARG 24 1HH2 ARG 24 8.955 7.317 -5.374
194 HH22 ARG 24 2HH2 ARG 24 9.176 6.965 -7.016
195 H CYS 25 H CYS 25 2.481 5.422 -3.578
196 HA CYS 25 HA CYS 25 0.191 5.145 -2.269
197 HB2 CYS 25 2HB CYS 25 -0.061 7.599 -2.073
198 HB3 CYS 25 1HB CYS 25 0.048 7.790 -3.805
Start of MODEL 20
1 H1 CYS 1 1HT CYS 1 -4.282 -5.896 6.213
2 H2 CYS 1 2HT CYS 1 -5.127 -5.264 4.896
3 H3 CYS 1 3HT CYS 1 -5.095 -4.426 6.359
4 HA CYS 1 HA CYS 1 -2.829 -3.992 6.177
5 HB2 CYS 1 2HB CYS 1 -2.904 -5.485 3.527
6 HB3 CYS 1 1HB CYS 1 -1.521 -4.713 4.256
7 H SER 2 H SER 2 -3.496 -1.986 6.181
8 HA SER 2 HA SER 2 -4.201 -0.805 3.620
9 HB2 SER 2 2HB SER 2 -5.069 0.043 6.400
10 HB3 SER 2 1HB SER 2 -5.486 0.865 4.895
11 HG SER 2 HG SER 2 -7.173 -0.399 5.146
12 H TYR 3 H TYR 3 -3.324 1.190 3.250
13 HA TYR 3 HA TYR 3 -1.068 2.015 4.906
14 HB2 TYR 3 2HB TYR 3 -0.192 0.883 2.936
15 HB3 TYR 3 1HB TYR 3 -1.313 1.744 1.894
16 HD1 TYR 3 1HD TYR 3 1.659 2.180 4.066
17 HD2 TYR 3 2HD TYR 3 -0.732 3.784 0.945
18 HE1 TYR 3 1HE TYR 3 3.332 3.932 3.687
19 HE2 TYR 3 2HE TYR 3 0.880 5.505 0.542
20 HH TYR 3 HH TYR 3 2.701 6.663 2.110
21 H THR 4 H THR 4 -0.679 4.436 4.604
22 HA THR 4 HA THR 4 -3.203 5.726 3.901
23 HB THR 4 HB THR 4 -1.144 6.704 5.885
24 HG1 THR 4 1HG THR 4 -2.128 4.802 6.617
25 HG21 THR 4 1HG2 THR 4 -2.965 8.202 6.612
26 HG22 THR 4 2HG2 THR 4 -4.013 7.533 5.360
27 HG23 THR 4 3HG2 THR 4 -2.581 8.459 4.910
28 H CYS 5 H CYS 5 -3.066 6.791 2.069
29 HA CYS 5 HA CYS 5 -0.508 7.960 1.249
30 HB2 CYS 5 2HB CYS 5 -1.265 6.211 -0.290
31 HB3 CYS 5 1HB CYS 5 -2.856 6.924 -0.379
32 HA DPR 6 HA DPR 6 -2.275 12.063 1.088
33 HB2 DPR 6 1HB DPR 6 -1.254 12.085 3.880
34 HB3 DPR 6 2HB DPR 6 -0.961 13.267 2.591
35 HG2 DPR 6 1HG DPR 6 0.942 11.587 3.302
36 HG3 DPR 6 2HG DPR 6 0.641 11.904 1.583
37 HD2 DPR 6 1HD DPR 6 -0.159 9.547 3.240
38 HD3 DPR 6 2HD DPR 6 0.493 9.624 1.586
39 HA PRO 7 HA PRO 7 -5.576 11.974 4.178
40 HB2 PRO 7 2HB PRO 7 -7.448 13.178 2.723
41 HB3 PRO 7 1HB PRO 7 -6.074 14.088 3.361
42 HG2 PRO 7 2HG PRO 7 -6.554 13.092 0.587
43 HG3 PRO 7 1HG PRO 7 -5.821 14.612 1.125
44 HD2 PRO 7 2HD PRO 7 -4.431 12.338 0.300
45 HD3 PRO 7 1HD PRO 7 -3.750 13.683 1.236
46 H GLN 8 H GLN 8 -5.009 10.015 1.647
47 HA GLN 8 HA GLN 8 -7.717 8.897 1.613
48 HB2 GLN 8 2HB GLN 8 -5.555 8.623 -0.470
49 HB3 GLN 8 1HB GLN 8 -7.166 7.933 -0.562
50 HG2 GLN 8 2HG GLN 8 -8.103 10.217 -0.556
51 HG3 GLN 8 1HG GLN 8 -6.462 10.857 -0.560
52 HE21 GLN 8 1HE2 GLN 8 -8.556 11.178 -2.504
53 HE22 GLN 8 2HE2 GLN 8 -7.924 10.593 -4.001
54 H THR 9 H THR 9 -7.913 7.053 2.650
55 HA THR 9 HA THR 9 -5.622 5.510 3.425
56 HB THR 9 HB THR 9 -8.584 4.888 3.655
57 HG1 THR 9 1HG THR 9 -6.892 5.750 5.750
58 HG21 THR 9 1HG2 THR 9 -7.146 2.890 3.859
59 HG22 THR 9 2HG2 THR 9 -7.888 3.297 5.405
60 HG23 THR 9 3HG2 THR 9 -6.198 3.702 5.104
61 H TYR 10 H TYR 10 -4.668 4.067 2.388
62 HA TYR 10 HA TYR 10 -5.712 3.233 -0.177
63 HB2 TYR 10 2HB TYR 10 -3.506 4.418 -0.005
64 HB3 TYR 10 1HB TYR 10 -2.921 3.101 0.985
65 HD1 TYR 10 1HD TYR 10 -4.445 3.778 -2.265
66 HD2 TYR 10 2HD TYR 10 -1.833 1.348 -0.028
67 HE1 TYR 10 1HE TYR 10 -3.770 2.630 -4.344
68 HE2 TYR 10 2HE TYR 10 -1.123 0.176 -2.068
69 HH TYR 10 HH TYR 10 -1.783 1.342 -5.128
70 H THR 11 H THR 11 -6.889 1.480 0.204
71 HA THR 11 HA THR 11 -6.025 -0.573 2.078
72 HB THR 11 HB THR 11 -8.476 -0.569 0.299
73 HG1 THR 11 1HG THR 11 -8.611 0.233 2.960
74 HG21 THR 11 1HG2 THR 11 -7.901 -1.830 2.992
75 HG22 THR 11 2HG2 THR 11 -7.911 -2.676 1.446
76 HG23 THR 11 3HG2 THR 11 -9.405 -1.982 2.080
77 H PHE 12 H PHE 12 -5.246 -2.595 1.360
78 HA PHE 12 HA PHE 12 -5.114 -2.887 -1.545
79 HB2 PHE 12 2HB PHE 12 -2.924 -2.308 -0.100
80 HB3 PHE 12 1HB PHE 12 -2.996 -4.038 0.178
81 HD1 PHE 12 1HD PHE 12 -2.613 -5.612 -1.532
82 HD2 PHE 12 2HD PHE 12 -2.530 -1.473 -2.360
83 HE1 PHE 12 1HE PHE 12 -1.605 -6.076 -3.736
84 HE2 PHE 12 2HE PHE 12 -1.507 -1.902 -4.549
85 HZ PHE 12 HZ PHE 12 -1.037 -4.218 -5.244
86 HA PRO 13 HA PRO 13 -7.211 -6.716 -0.594
87 HB2 PRO 13 2HB PRO 13 -6.691 -7.997 -2.974
88 HB3 PRO 13 1HB PRO 13 -7.984 -6.819 -2.741
89 HG2 PRO 13 2HG PRO 13 -5.275 -6.450 -3.940
90 HG3 PRO 13 1HG PRO 13 -6.830 -5.768 -4.451
91 HD2 PRO 13 2HD PRO 13 -5.004 -4.337 -3.082
92 HD3 PRO 13 1HD PRO 13 -6.750 -4.090 -2.866
93 H THR 14 H THR 14 -4.137 -7.217 -2.391
94 HA THR 14 HA THR 14 -3.672 -9.640 -0.919
95 HB THR 14 HB THR 14 -1.697 -9.603 -2.650
96 HG1 THR 14 1HG THR 14 -3.042 -8.261 -4.501
97 HG21 THR 14 1HG2 THR 14 -3.631 -11.144 -2.733
98 HG22 THR 14 2HG2 THR 14 -3.174 -10.587 -4.340
99 HG23 THR 14 3HG2 THR 14 -4.581 -9.889 -3.534
100 H CYS 15 H CYS 15 -2.634 -9.398 0.941
101 HA CYS 15 HA CYS 15 -1.286 -6.996 1.616
102 HB2 CYS 15 2HB CYS 15 -2.563 -8.362 3.236
103 HB3 CYS 15 1HB CYS 15 -1.303 -9.589 3.142
104 H GLU 16 H GLU 16 -0.195 -10.142 0.539
105 HA GLU 16 HA GLU 16 2.541 -9.731 1.237
106 HB2 GLU 16 2HB GLU 16 1.269 -11.637 -0.732
107 HB3 GLU 16 1HB GLU 16 2.945 -11.687 -0.204
108 HG2 GLU 16 2HG GLU 16 2.341 -12.218 2.015
109 HG3 GLU 16 1HG GLU 16 0.643 -11.879 1.700
110 H GLU 17 H GLU 17 0.516 -8.891 -1.380
111 HA GLU 17 HA GLU 17 2.628 -8.188 -3.201
112 HB2 GLU 17 2HB GLU 17 0.315 -8.912 -3.862
113 HB3 GLU 17 1HB GLU 17 -0.289 -7.412 -3.188
114 HG2 GLU 17 2HG GLU 17 -0.153 -7.175 -5.554
115 HG3 GLU 17 1HG GLU 17 1.123 -6.192 -4.840
116 H ALA 18 H ALA 18 0.362 -6.596 -1.003
117 HA ALA 18 HA ALA 18 1.018 -3.917 -1.350
118 HB1 ALA 18 1HB ALA 18 -0.905 -4.706 -0.052
119 HB2 ALA 18 2HB ALA 18 0.065 -3.545 0.855
120 HB3 ALA 18 3HB ALA 18 0.187 -5.267 1.213
121 H LYS 19 H LYS 19 2.590 -6.394 0.582
122 HA LYS 19 HA LYS 19 4.291 -4.862 2.114
123 HB2 LYS 19 2HB LYS 19 3.758 -7.340 2.235
124 HB3 LYS 19 1HB LYS 19 4.855 -7.555 0.892
125 HG2 LYS 19 2HG LYS 19 6.023 -8.091 2.878
126 HG3 LYS 19 1HG LYS 19 6.658 -6.559 2.257
127 HD2 LYS 19 2HD LYS 19 6.407 -6.348 4.626
128 HD3 LYS 19 1HD LYS 19 5.162 -5.363 3.874
129 HE2 LYS 19 2HE LYS 19 3.545 -7.246 4.228
130 HE3 LYS 19 1HE LYS 19 4.813 -8.111 5.088
131 HZ1 LYS 19 1HZ LYS 19 3.619 -5.513 5.869
132 HZ2 LYS 19 2HZ LYS 19 4.882 -6.258 6.682
133 HZ3 LYS 19 3HZ LYS 19 3.378 -6.989 6.646
134 H LYS 20 H LYS 20 4.424 -5.849 -1.244
135 HA LYS 20 HA LYS 20 7.191 -4.921 -1.568
136 HB2 LYS 20 2HB LYS 20 6.470 -7.167 -2.384
137 HB3 LYS 20 1HB LYS 20 5.361 -6.367 -3.480
138 HG2 LYS 20 2HG LYS 20 7.282 -7.016 -4.725
139 HG3 LYS 20 1HG LYS 20 7.337 -5.263 -4.539
140 HD2 LYS 20 2HD LYS 20 8.949 -5.467 -2.752
141 HD3 LYS 20 1HD LYS 20 8.830 -7.227 -2.804
142 HE2 LYS 20 2HE LYS 20 9.622 -7.135 -5.159
143 HE3 LYS 20 1HE LYS 20 9.879 -5.404 -4.955
144 HZ1 LYS 20 1HZ LYS 20 11.904 -6.646 -4.627
145 HZ2 LYS 20 2HZ LYS 20 11.174 -7.548 -3.386
146 HZ3 LYS 20 3HZ LYS 20 11.442 -5.900 -3.177
147 H MET 21 H MET 21 3.937 -4.007 -2.085
148 HA MET 21 HA MET 21 4.005 -2.544 -4.407
149 HB2 MET 21 2HB MET 21 1.955 -3.277 -3.286
150 HB3 MET 21 1HB MET 21 2.282 -2.176 -1.957
151 HG2 MET 21 2HG MET 21 0.584 -1.306 -3.484
152 HG3 MET 21 1HG MET 21 2.015 -0.273 -3.435
153 HE1 MET 21 1HE MET 21 1.308 0.950 -5.661
154 HE2 MET 21 2HE MET 21 -0.158 -0.031 -5.703
155 HE3 MET 21 3HE MET 21 0.856 0.101 -7.141
156 H LYS 22 H LYS 22 4.137 -0.541 -4.796
157 HA LYS 22 HA LYS 22 6.173 1.072 -3.798
158 HB2 LYS 22 2HB LYS 22 5.289 1.369 -6.037
159 HB3 LYS 22 1HB LYS 22 3.731 1.852 -5.394
160 HG2 LYS 22 2HG LYS 22 4.923 3.784 -6.203
161 HG3 LYS 22 1HG LYS 22 4.771 3.873 -4.450
162 HD2 LYS 22 2HD LYS 22 7.072 3.088 -4.206
163 HD3 LYS 22 1HD LYS 22 7.226 2.961 -5.959
164 HE2 LYS 22 2HE LYS 22 6.785 5.386 -6.141
165 HE3 LYS 22 1HE LYS 22 6.704 5.484 -4.384
166 HZ1 LYS 22 1HZ LYS 22 9.084 4.677 -5.972
167 HZ2 LYS 22 2HZ LYS 22 9.004 4.729 -4.294
168 HZ3 LYS 22 3HZ LYS 22 8.855 6.154 -5.186
169 H LYS 23 H LYS 23 6.313 2.049 -1.936
170 HA LYS 23 HA LYS 23 3.908 3.202 -0.771
171 HB2 LYS 23 2HB LYS 23 6.337 2.054 0.614
172 HB3 LYS 23 1HB LYS 23 5.052 2.935 1.435
173 HG2 LYS 23 2HG LYS 23 3.433 1.256 0.744
174 HG3 LYS 23 1HG LYS 23 4.696 0.382 -0.119
175 HD2 LYS 23 2HD LYS 23 5.872 0.004 1.977
176 HD3 LYS 23 1HD LYS 23 4.627 0.923 2.833
177 HE2 LYS 23 2HE LYS 23 2.947 -0.708 2.156
178 HE3 LYS 23 1HE LYS 23 4.174 -1.621 1.280
179 HZ1 LYS 23 1HZ LYS 23 4.194 -1.111 4.196
180 HZ2 LYS 23 2HZ LYS 23 5.294 -2.065 3.348
181 HZ3 LYS 23 3HZ LYS 23 3.677 -2.537 3.473
182 H ARG 24 H ARG 24 4.703 4.947 0.900
183 HA ARG 24 HA ARG 24 5.376 6.960 1.213
184 HB2 ARG 24 2HB ARG 24 7.730 6.426 1.000
185 HB3 ARG 24 1HB ARG 24 7.614 6.409 -0.756
186 HG2 ARG 24 2HG ARG 24 7.258 8.769 -0.829
187 HG3 ARG 24 1HG ARG 24 7.108 8.851 0.923
188 HD2 ARG 24 2HD ARG 24 9.595 7.975 -0.525
189 HD3 ARG 24 1HD ARG 24 9.310 9.621 0.041
190 HE ARG 24 HE ARG 24 8.925 7.803 2.135
191 HH11 ARG 24 1HH1 ARG 24 11.535 9.252 0.225
192 HH12 ARG 24 2HH1 ARG 24 12.690 9.135 1.461
193 HH21 ARG 24 1HH2 ARG 24 10.537 7.657 3.840
194 HH22 ARG 24 2HH2 ARG 24 12.128 8.230 3.530
195 H CYS 25 H CYS 25 3.705 7.839 0.711
196 HA CYS 25 HA CYS 25 3.217 8.745 -2.012
197 HB2 CYS 25 2HB CYS 25 1.453 7.306 -1.232
198 HB3 CYS 25 1HB CYS 25 1.397 8.114 0.324