Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8376 | 1m4f RC | 5501 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 1HT ASP 1 -6.351 -5.271 -0.276
2 2H ASP 1 2HT ASP 1 -5.969 -5.150 -1.919
3 3H ASP 1 3HT ASP 1 -5.242 -6.345 -0.969
4 HA ASP 1 HA ASP 1 -7.044 -7.172 -2.434
5 1HB ASP 1 2HB ASP 1 -8.041 -8.561 -0.659
6 2HB ASP 1 1HB ASP 1 -6.302 -8.388 -0.441
7 H THR 2 H THR 2 -8.053 -4.937 0.118
8 HA THR 2 HA THR 2 -10.818 -5.049 -0.396
9 HB THR 2 HB THR 2 -9.228 -2.744 0.751
10 HG1 THR 2 1HG THR 2 -10.707 -4.445 2.384
11 1HG2 THR 2 1HG2 THR 2 -11.565 -2.492 1.946
12 2HG2 THR 2 2HG2 THR 2 -12.145 -3.317 0.499
13 3HG2 THR 2 3HG2 THR 2 -11.282 -1.785 0.356
14 H HIS 3 H HIS 3 -12.126 -3.913 -1.735
15 HA HIS 3 HA HIS 3 -11.089 -2.943 -4.160
16 1HB HIS 3 2HB HIS 3 -13.357 -3.890 -3.897
17 2HB HIS 3 1HB HIS 3 -13.825 -2.475 -2.961
18 HD1 HIS 3 1HD HIS 3 -12.257 -3.024 -6.395
19 HD2 HIS 3 2HD HIS 3 -15.180 -0.743 -4.518
20 HE1 HIS 3 1HE HIS 3 -13.263 -1.600 -8.206
21 HE2 HIS 3 2HE HIS 3 -14.997 -0.192 -7.039
22 H PHE 4 H PHE 4 -12.187 -1.297 -1.238
23 HA PHE 4 HA PHE 4 -10.816 1.117 -2.125
24 1HB PHE 4 2HB PHE 4 -13.130 1.411 -2.902
25 2HB PHE 4 1HB PHE 4 -13.718 1.135 -1.267
26 HD1 PHE 4 1HD PHE 4 -14.703 3.130 -0.639
27 HD2 PHE 4 2HD PHE 4 -10.843 3.198 -2.432
28 HE1 PHE 4 1HE PHE 4 -14.529 5.538 -0.166
29 HE2 PHE 4 2HE PHE 4 -10.663 5.606 -1.961
30 HZ PHE 4 HZ PHE 4 -12.507 6.779 -0.826
31 HA PRO 5 HA PRO 5 -10.425 0.112 2.438
32 1HB PRO 5 2HB PRO 5 -7.741 -0.218 2.496
33 2HB PRO 5 1HB PRO 5 -8.850 -1.539 2.110
34 1HG PRO 5 2HG PRO 5 -7.230 0.173 0.270
35 2HG PRO 5 1HG PRO 5 -7.522 -1.574 0.207
36 1HD PRO 5 2HD PRO 5 -8.856 0.227 -1.344
37 2HD PRO 5 1HD PRO 5 -9.551 -1.322 -0.828
38 H ILE 6 H ILE 6 -7.798 1.094 3.359
39 HA ILE 6 HA ILE 6 -8.462 3.907 3.444
40 HB ILE 6 HB ILE 6 -6.538 4.072 5.016
41 1HG1 ILE 6 2HG1 ILE 6 -6.415 1.069 4.642
42 2HG1 ILE 6 1HG1 ILE 6 -5.195 2.219 4.102
43 1HG2 ILE 6 1HG2 ILE 6 -9.018 3.301 5.517
44 2HG2 ILE 6 2HG2 ILE 6 -7.791 3.361 6.783
45 3HG2 ILE 6 3HG2 ILE 6 -8.197 1.823 6.020
46 1HD1 ILE 6 1HD1 ILE 6 -5.245 2.864 6.682
47 2HD1 ILE 6 2HD1 ILE 6 -4.230 1.573 6.039
48 3HD1 ILE 6 3HD1 ILE 6 -5.769 1.185 6.809
49 H CYS 7 H CYS 7 -5.931 1.844 2.139
50 HA CYS 7 HA CYS 7 -4.230 2.213 0.687
51 1HB CYS 7 2HB CYS 7 -6.137 4.383 -0.173
52 2HB CYS 7 1HB CYS 7 -4.643 4.031 -1.033
53 H ILE 8 H ILE 8 -3.809 3.271 3.237
54 HA ILE 8 HA ILE 8 -2.934 5.950 3.236
55 HB ILE 8 HB ILE 8 -1.569 5.320 5.217
56 1HG1 ILE 8 2HG1 ILE 8 -2.647 2.537 4.700
57 2HG1 ILE 8 1HG1 ILE 8 -0.976 3.033 4.449
58 1HG2 ILE 8 1HG2 ILE 8 -3.718 5.981 5.774
59 2HG2 ILE 8 2HG2 ILE 8 -3.592 4.399 6.542
60 3HG2 ILE 8 3HG2 ILE 8 -4.458 4.571 5.016
61 1HD1 ILE 8 1HD1 ILE 8 -0.488 2.705 6.584
62 2HD1 ILE 8 2HD1 ILE 8 -2.078 1.959 6.754
63 3HD1 ILE 8 3HD1 ILE 8 -1.864 3.672 7.117
64 H PHE 9 H PHE 9 -1.189 6.890 2.366
65 HA PHE 9 HA PHE 9 0.499 5.605 0.579
66 1HB PHE 9 2HB PHE 9 0.102 8.076 0.724
67 2HB PHE 9 1HB PHE 9 1.171 8.117 2.121
68 HD1 PHE 9 1HD PHE 9 1.475 6.276 -1.101
69 HD2 PHE 9 2HD PHE 9 3.052 9.283 1.464
70 HE1 PHE 9 1HE PHE 9 3.405 6.535 -2.603
71 HE2 PHE 9 2HE PHE 9 4.987 9.548 -0.033
72 HZ PHE 9 HZ PHE 9 5.165 8.175 -2.069
73 H CYS 10 H CYS 10 2.476 4.644 0.691
74 HA CYS 10 HA CYS 10 4.075 4.737 3.093
75 1HB CYS 10 2HB CYS 10 3.994 2.316 3.520
76 2HB CYS 10 1HB CYS 10 2.401 3.044 3.707
77 H CYS 11 H CYS 11 6.003 5.115 2.154
78 HA CYS 11 HA CYS 11 6.654 4.075 -0.428
79 1HB CYS 11 2HB CYS 11 8.168 5.682 1.606
80 2HB CYS 11 1HB CYS 11 8.977 5.033 0.184
81 H GLY 12 H GLY 12 7.541 2.198 -0.929
82 1HA GLY 12 2HA GLY 12 8.133 0.224 1.008
83 2HA GLY 12 1HA GLY 12 8.534 0.134 -0.704
84 H CYS 13 H CYS 13 9.610 0.945 2.454
85 HA CYS 13 HA CYS 13 12.068 2.213 1.879
86 1HB CYS 13 2HB CYS 13 12.563 1.933 4.202
87 2HB CYS 13 1HB CYS 13 10.834 2.236 4.085
88 H CYS 14 H CYS 14 11.315 -1.049 2.907
89 HA CYS 14 HA CYS 14 14.072 -1.802 2.301
90 1HB CYS 14 2HB CYS 14 12.241 -3.059 4.318
91 2HB CYS 14 1HB CYS 14 14.007 -3.037 4.290
92 H HIS 15 H HIS 15 10.827 -3.360 2.553
93 HA HIS 15 HA HIS 15 11.556 -5.707 1.207
94 1HB HIS 15 2HB HIS 15 8.862 -4.313 1.186
95 2HB HIS 15 1HB HIS 15 9.150 -5.990 0.734
96 HD1 HIS 15 1HD HIS 15 10.547 -7.274 2.898
97 HD2 HIS 15 2HD HIS 15 7.860 -4.203 3.684
98 HE1 HIS 15 1HE HIS 15 9.879 -7.565 5.305
99 HE2 HIS 15 2HE HIS 15 8.187 -5.749 5.733
100 H ARG 16 H ARG 16 9.301 -3.479 -0.327
101 HA ARG 16 HA ARG 16 10.740 -3.784 -2.855
102 1HB ARG 16 2HB ARG 16 8.004 -2.793 -2.101
103 2HB ARG 16 1HB ARG 16 8.705 -2.333 -3.645
104 1HG ARG 16 2HG ARG 16 7.268 -4.237 -3.923
105 2HG ARG 16 1HG ARG 16 8.941 -4.700 -4.226
106 1HD ARG 16 2HD ARG 16 9.072 -5.602 -1.930
107 2HD ARG 16 1HD ARG 16 7.370 -5.201 -1.701
108 HE ARG 16 HE ARG 16 8.401 -7.486 -3.009
109 1HH1 ARG 16 1HH1 ARG 16 5.816 -5.157 -3.197
110 2HH1 ARG 16 2HH1 ARG 16 4.735 -6.234 -4.016
111 1HH2 ARG 16 1HH2 ARG 16 6.987 -8.907 -4.089
112 2HH2 ARG 16 2HH2 ARG 16 5.402 -8.363 -4.529
113 H SER 17 H SER 17 12.224 -2.253 -3.388
114 HA SER 17 HA SER 17 12.441 0.165 -1.852
115 1HB SER 17 2HB SER 17 13.909 -0.707 -4.357
116 2HB SER 17 1HB SER 17 14.340 0.682 -3.359
117 HG SER 17 HG SER 17 15.541 -0.772 -2.400
118 H LYS 18 H LYS 18 9.977 0.314 -2.756
119 HA LYS 18 HA LYS 18 10.061 2.541 -4.628
120 1HB LYS 18 2HB LYS 18 8.365 1.586 -6.114
121 2HB LYS 18 1HB LYS 18 9.822 0.601 -6.095
122 1HG LYS 18 2HG LYS 18 8.680 -0.892 -4.436
123 2HG LYS 18 1HG LYS 18 7.203 0.027 -4.733
124 1HD LYS 18 2HD LYS 18 7.417 -0.538 -7.152
125 2HD LYS 18 1HD LYS 18 8.785 -1.575 -6.741
126 1HE LYS 18 2HE LYS 18 6.755 -2.891 -6.948
127 2HE LYS 18 1HE LYS 18 7.336 -2.904 -5.283
128 1HZ LYS 18 1HZ LYS 18 5.391 -0.849 -5.988
129 2HZ LYS 18 2HZ LYS 18 5.560 -1.733 -4.556
130 3HZ LYS 18 3HZ LYS 18 4.821 -2.440 -5.902
131 H CYS 19 H CYS 19 8.453 4.026 -4.318
132 HA CYS 19 HA CYS 19 6.898 3.823 -1.932
133 1HB CYS 19 2HB CYS 19 6.901 5.868 -4.156
134 2HB CYS 19 1HB CYS 19 5.910 6.007 -2.709
135 H GLY 20 H GLY 20 4.710 3.505 -1.674
136 1HA GLY 20 2HA GLY 20 2.908 3.318 -3.890
137 2HA GLY 20 1HA GLY 20 3.383 1.731 -3.306
138 H MET 21 H MET 21 0.750 3.021 -3.295
139 HA MET 21 HA MET 21 0.143 3.795 -0.614
140 1HB MET 21 2HB MET 21 -1.750 2.884 -2.788
141 2HB MET 21 1HB MET 21 -2.172 3.798 -1.345
142 1HG MET 21 2HG MET 21 -0.813 5.671 -2.137
143 2HG MET 21 1HG MET 21 -0.405 4.756 -3.587
144 1HE MET 21 1HE MET 21 -3.047 6.089 -1.365
145 2HE MET 21 2HE MET 21 -4.355 5.123 -2.048
146 3HE MET 21 3HE MET 21 -4.235 6.841 -2.429
147 H CYS 22 H CYS 22 -0.333 2.574 1.089
148 HA CYS 22 HA CYS 22 -0.264 -0.297 0.885
149 1HB CYS 22 2HB CYS 22 -0.360 1.664 3.141
150 2HB CYS 22 1HB CYS 22 -0.790 -0.013 3.451
151 H CYS 23 H CYS 23 -2.387 0.197 -0.578
152 HA CYS 23 HA CYS 23 -4.847 0.606 0.669
153 1HB CYS 23 2HB CYS 23 -4.153 -1.024 -1.778
154 2HB CYS 23 1HB CYS 23 -5.805 -0.694 -1.270
155 H LYS 24 H LYS 24 -3.295 -2.511 -0.140
156 HA LYS 24 HA LYS 24 -5.235 -4.042 1.279
157 1HB LYS 24 2HB LYS 24 -3.670 -5.930 0.917
158 2HB LYS 24 1HB LYS 24 -4.027 -5.044 -0.558
159 1HG LYS 24 2HG LYS 24 -1.896 -3.905 -0.426
160 2HG LYS 24 1HG LYS 24 -1.542 -4.704 1.108
161 1HD LYS 24 2HD LYS 24 -1.589 -6.877 -0.010
162 2HD LYS 24 1HD LYS 24 -1.962 -6.087 -1.543
163 1HE LYS 24 2HE LYS 24 0.544 -5.691 0.089
164 2HE LYS 24 1HE LYS 24 0.411 -6.665 -1.374
165 1HZ LYS 24 1HZ LYS 24 1.135 -4.748 -2.294
166 2HZ LYS 24 2HZ LYS 24 0.497 -3.767 -1.073
167 3HZ LYS 24 3HZ LYS 24 -0.515 -4.372 -2.285
168 H THR 25 H THR 25 -3.160 -5.819 2.515
169 HA THR 25 HA THR 25 -1.896 -4.332 4.604
170 HB THR 25 HB THR 25 -4.345 -5.955 5.338
171 HG1 THR 25 1HG THR 25 -5.320 -4.078 5.524
172 1HG2 THR 25 1HG2 THR 25 -2.169 -4.710 6.998
173 2HG2 THR 25 2HG2 THR 25 -2.794 -6.358 7.057
174 3HG2 THR 25 3HG2 THR 25 -3.775 -5.021 7.656
Start of MODEL 2
1 1H ASP 1 1HT ASP 1 -8.586 -7.797 0.979
2 2H ASP 1 2HT ASP 1 -9.120 -6.290 1.533
3 3H ASP 1 3HT ASP 1 -7.942 -6.377 0.322
4 HA ASP 1 HA ASP 1 -9.447 -6.467 -1.271
5 1HB ASP 1 2HB ASP 1 -10.790 -8.600 0.409
6 2HB ASP 1 1HB ASP 1 -11.134 -8.267 -1.285
7 H THR 2 H THR 2 -9.740 -4.529 0.739
8 HA THR 2 HA THR 2 -12.482 -4.320 1.539
9 HB THR 2 HB THR 2 -10.317 -2.206 1.537
10 HG1 THR 2 1HG THR 2 -10.468 -2.815 3.897
11 1HG2 THR 2 1HG2 THR 2 -11.987 -0.806 2.042
12 2HG2 THR 2 2HG2 THR 2 -12.133 -1.677 3.569
13 3HG2 THR 2 3HG2 THR 2 -13.145 -2.129 2.197
14 H HIS 3 H HIS 3 -14.100 -3.093 0.669
15 HA HIS 3 HA HIS 3 -14.027 -2.569 -2.114
16 1HB HIS 3 2HB HIS 3 -16.017 -1.670 -0.019
17 2HB HIS 3 1HB HIS 3 -16.267 -1.581 -1.760
18 HD1 HIS 3 1HD HIS 3 -18.369 -3.115 -0.509
19 HD2 HIS 3 2HD HIS 3 -14.721 -4.897 -1.395
20 HE1 HIS 3 1HE HIS 3 -18.832 -5.585 -0.601
21 HE2 HIS 3 2HE HIS 3 -16.635 -6.631 -1.249
22 H PHE 4 H PHE 4 -13.767 -0.555 0.753
23 HA PHE 4 HA PHE 4 -12.730 1.635 -0.902
24 1HB PHE 4 2HB PHE 4 -14.776 1.964 1.308
25 2HB PHE 4 1HB PHE 4 -13.951 3.286 0.494
26 HD1 PHE 4 1HD PHE 4 -16.166 0.371 -0.196
27 HD2 PHE 4 2HD PHE 4 -14.909 4.266 -1.361
28 HE1 PHE 4 1HE PHE 4 -17.943 0.433 -1.895
29 HE2 PHE 4 2HE PHE 4 -16.684 4.335 -3.061
30 HZ PHE 4 HZ PHE 4 -18.206 2.418 -3.330
31 HA PRO 5 HA PRO 5 -10.144 0.424 2.850
32 1HB PRO 5 2HB PRO 5 -7.793 0.317 1.450
33 2HB PRO 5 1HB PRO 5 -8.839 -1.075 1.743
34 1HG PRO 5 2HG PRO 5 -8.618 0.647 -0.694
35 2HG PRO 5 1HG PRO 5 -8.806 -1.113 -0.577
36 1HD PRO 5 2HD PRO 5 -10.876 0.503 -1.166
37 2HD PRO 5 1HD PRO 5 -11.082 -0.974 -0.202
38 H ILE 6 H ILE 6 -8.198 1.532 3.665
39 HA ILE 6 HA ILE 6 -8.476 4.377 3.322
40 HB ILE 6 HB ILE 6 -6.684 4.482 5.082
41 1HG1 ILE 6 2HG1 ILE 6 -7.026 1.476 4.993
42 2HG1 ILE 6 1HG1 ILE 6 -5.556 2.376 4.632
43 1HG2 ILE 6 1HG2 ILE 6 -8.551 2.788 6.456
44 2HG2 ILE 6 2HG2 ILE 6 -9.395 3.789 5.274
45 3HG2 ILE 6 3HG2 ILE 6 -8.386 4.542 6.509
46 1HD1 ILE 6 1HD1 ILE 6 -6.634 1.498 7.183
47 2HD1 ILE 6 2HD1 ILE 6 -6.170 3.199 7.177
48 3HD1 ILE 6 3HD1 ILE 6 -4.990 1.962 6.742
49 H CYS 7 H CYS 7 -6.232 1.867 2.429
50 HA CYS 7 HA CYS 7 -4.432 1.807 1.057
51 1HB CYS 7 2HB CYS 7 -5.963 2.868 -0.543
52 2HB CYS 7 1HB CYS 7 -5.507 4.456 0.068
53 H ILE 8 H ILE 8 -3.740 2.506 3.535
54 HA ILE 8 HA ILE 8 -2.447 4.948 3.931
55 HB ILE 8 HB ILE 8 -1.006 3.721 5.577
56 1HG1 ILE 8 2HG1 ILE 8 -2.645 1.338 4.682
57 2HG1 ILE 8 1HG1 ILE 8 -0.932 1.570 4.354
58 1HG2 ILE 8 1HG2 ILE 8 -3.631 2.736 6.324
59 2HG2 ILE 8 2HG2 ILE 8 -3.684 4.378 5.680
60 3HG2 ILE 8 3HG2 ILE 8 -2.645 4.004 7.055
61 1HD1 ILE 8 1HD1 ILE 8 -0.415 0.636 6.289
62 2HD1 ILE 8 2HD1 ILE 8 -2.128 0.324 6.567
63 3HD1 ILE 8 3HD1 ILE 8 -1.395 1.815 7.159
64 H PHE 9 H PHE 9 -0.439 5.735 3.478
65 HA PHE 9 HA PHE 9 0.903 4.852 1.190
66 1HB PHE 9 2HB PHE 9 1.039 7.156 2.088
67 2HB PHE 9 1HB PHE 9 2.002 6.560 3.436
68 HD1 PHE 9 1HD PHE 9 2.117 5.956 -0.248
69 HD2 PHE 9 2HD PHE 9 4.166 7.286 3.238
70 HE1 PHE 9 1HE PHE 9 4.161 6.277 -1.578
71 HE2 PHE 9 2HE PHE 9 6.214 7.610 1.914
72 HZ PHE 9 HZ PHE 9 6.213 7.106 -0.498
73 H CYS 10 H CYS 10 2.648 3.546 0.838
74 HA CYS 10 HA CYS 10 4.099 2.454 3.117
75 1HB CYS 10 2HB CYS 10 3.753 0.124 2.312
76 2HB CYS 10 1HB CYS 10 2.270 0.885 2.879
77 H CYS 11 H CYS 11 6.199 2.516 2.656
78 HA CYS 11 HA CYS 11 7.059 1.998 -0.103
79 1HB CYS 11 2HB CYS 11 6.999 4.439 0.229
80 2HB CYS 11 1HB CYS 11 8.059 4.274 1.623
81 H GLY 12 H GLY 12 8.632 0.527 -0.211
82 1HA GLY 12 2HA GLY 12 9.756 -0.603 2.159
83 2HA GLY 12 1HA GLY 12 10.193 -1.014 0.506
84 H CYS 13 H CYS 13 11.513 -0.089 3.215
85 HA CYS 13 HA CYS 13 12.953 2.233 2.899
86 1HB CYS 13 2HB CYS 13 13.157 1.314 5.015
87 2HB CYS 13 1HB CYS 13 13.477 -0.304 4.396
88 H CYS 14 H CYS 14 14.689 -0.715 2.922
89 HA CYS 14 HA CYS 14 16.563 0.354 0.977
90 1HB CYS 14 2HB CYS 14 17.561 -1.866 2.430
91 2HB CYS 14 1HB CYS 14 17.985 -0.163 2.609
92 H HIS 15 H HIS 15 15.550 -2.959 1.952
93 HA HIS 15 HA HIS 15 16.418 -4.122 -0.444
94 1HB HIS 15 2HB HIS 15 14.868 -6.024 0.181
95 2HB HIS 15 1HB HIS 15 16.045 -5.573 1.407
96 HD1 HIS 15 1HD HIS 15 12.397 -4.784 0.618
97 HD2 HIS 15 2HD HIS 15 14.946 -5.320 3.853
98 HE1 HIS 15 1HE HIS 15 10.936 -4.620 2.658
99 HE2 HIS 15 2HE HIS 15 12.501 -4.940 4.605
100 H ARG 16 H ARG 16 13.153 -3.180 0.566
101 HA ARG 16 HA ARG 16 12.224 -3.357 -2.192
102 1HB ARG 16 2HB ARG 16 10.977 -3.489 0.444
103 2HB ARG 16 1HB ARG 16 10.103 -2.444 -0.667
104 1HG ARG 16 2HG ARG 16 9.233 -4.698 -0.745
105 2HG ARG 16 1HG ARG 16 9.978 -4.263 -2.284
106 1HD ARG 16 2HD ARG 16 11.977 -5.506 -1.705
107 2HD ARG 16 1HD ARG 16 11.317 -5.872 -0.110
108 HE ARG 16 HE ARG 16 9.519 -6.817 -2.029
109 1HH1 ARG 16 1HH1 ARG 16 12.764 -7.452 -0.924
110 2HH1 ARG 16 2HH1 ARG 16 12.707 -9.136 -1.322
111 1HH2 ARG 16 1HH2 ARG 16 9.439 -9.035 -2.557
112 2HH2 ARG 16 2HH2 ARG 16 10.820 -10.035 -2.251
113 H SER 17 H SER 17 14.024 -1.372 -2.093
114 HA SER 17 HA SER 17 13.185 1.159 -1.277
115 1HB SER 17 2HB SER 17 15.046 0.352 -3.518
116 2HB SER 17 1HB SER 17 14.821 2.017 -2.987
117 HG SER 17 HG SER 17 16.578 0.508 -2.041
118 H LYS 18 H LYS 18 10.898 0.748 -1.941
119 HA LYS 18 HA LYS 18 10.389 2.167 -4.442
120 1HB LYS 18 2HB LYS 18 9.064 -0.474 -3.798
121 2HB LYS 18 1HB LYS 18 8.707 0.550 -5.182
122 1HG LYS 18 2HG LYS 18 10.917 0.173 -6.080
123 2HG LYS 18 1HG LYS 18 11.367 -0.756 -4.650
124 1HD LYS 18 2HD LYS 18 10.827 -2.261 -6.469
125 2HD LYS 18 1HD LYS 18 9.609 -2.401 -5.201
126 1HE LYS 18 2HE LYS 18 8.116 -0.942 -6.481
127 2HE LYS 18 1HE LYS 18 9.337 -0.804 -7.747
128 1HZ LYS 18 1HZ LYS 18 9.073 -3.471 -7.494
129 2HZ LYS 18 2HZ LYS 18 8.263 -2.531 -8.643
130 3HZ LYS 18 3HZ LYS 18 7.490 -2.951 -7.199
131 H CYS 19 H CYS 19 8.823 3.643 -4.197
132 HA CYS 19 HA CYS 19 7.192 3.514 -1.762
133 1HB CYS 19 2HB CYS 19 7.961 5.828 -3.539
134 2HB CYS 19 1HB CYS 19 6.752 5.959 -2.267
135 H GLY 20 H GLY 20 4.998 3.472 -1.821
136 1HA GLY 20 2HA GLY 20 3.436 4.181 -4.078
137 2HA GLY 20 1HA GLY 20 3.676 2.441 -4.041
138 H MET 21 H MET 21 1.234 4.081 -3.709
139 HA MET 21 HA MET 21 0.452 3.917 -0.966
140 1HB MET 21 2HB MET 21 -1.248 4.220 -3.449
141 2HB MET 21 1HB MET 21 -1.781 4.502 -1.797
142 1HG MET 21 2HG MET 21 -0.193 6.338 -1.590
143 2HG MET 21 1HG MET 21 0.359 6.051 -3.239
144 1HE MET 21 1HE MET 21 -3.163 6.295 -4.967
145 2HE MET 21 2HE MET 21 -1.663 5.375 -4.845
146 3HE MET 21 3HE MET 21 -1.654 6.984 -5.567
147 H CYS 22 H CYS 22 -0.412 2.241 0.124
148 HA CYS 22 HA CYS 22 -0.664 -0.306 -1.203
149 1HB CYS 22 2HB CYS 22 -0.726 0.625 1.629
150 2HB CYS 22 1HB CYS 22 -1.459 -0.928 1.246
151 H CYS 23 H CYS 23 -2.493 1.008 -2.481
152 HA CYS 23 HA CYS 23 -5.064 1.096 -1.257
153 1HB CYS 23 2HB CYS 23 -4.174 1.242 -4.136
154 2HB CYS 23 1HB CYS 23 -5.869 1.303 -3.665
155 H LYS 24 H LYS 24 -5.050 -1.058 -0.349
156 HA LYS 24 HA LYS 24 -5.152 -3.364 -2.038
157 1HB LYS 24 2HB LYS 24 -5.977 -3.010 0.849
158 2HB LYS 24 1HB LYS 24 -5.848 -4.554 0.020
159 1HG LYS 24 2HG LYS 24 -3.454 -4.163 -0.321
160 2HG LYS 24 1HG LYS 24 -3.593 -2.628 0.540
161 1HD LYS 24 2HD LYS 24 -4.330 -3.824 2.547
162 2HD LYS 24 1HD LYS 24 -4.190 -5.357 1.684
163 1HE LYS 24 2HE LYS 24 -1.796 -4.973 1.385
164 2HE LYS 24 1HE LYS 24 -1.933 -3.434 2.233
165 1HZ LYS 24 1HZ LYS 24 -2.591 -6.067 3.437
166 2HZ LYS 24 2HZ LYS 24 -2.531 -4.574 4.232
167 3HZ LYS 24 3HZ LYS 24 -1.111 -5.272 3.637
168 H THR 25 H THR 25 -6.954 -1.680 -3.156
169 HA THR 25 HA THR 25 -9.600 -1.860 -2.246
170 HB THR 25 HB THR 25 -10.266 -1.243 -4.526
171 HG1 THR 25 1HG THR 25 -7.580 -1.209 -5.352
172 1HG2 THR 25 1HG2 THR 25 -7.915 0.467 -4.346
173 2HG2 THR 25 2HG2 THR 25 -8.717 0.249 -2.791
174 3HG2 THR 25 3HG2 THR 25 -9.622 0.872 -4.170
Start of MODEL 3
1 1H ASP 1 1HT ASP 1 -9.851 -5.721 -0.336
2 2H ASP 1 2HT ASP 1 -8.452 -6.271 -1.108
3 3H ASP 1 3HT ASP 1 -9.862 -7.204 -1.149
4 HA ASP 1 HA ASP 1 -9.100 -4.913 -2.747
5 1HB ASP 1 2HB ASP 1 -9.352 -7.276 -3.549
6 2HB ASP 1 1HB ASP 1 -11.072 -7.171 -3.186
7 H THR 2 H THR 2 -10.368 -4.002 -0.456
8 HA THR 2 HA THR 2 -13.176 -3.641 -0.894
9 HB THR 2 HB THR 2 -13.052 -2.013 0.973
10 HG1 THR 2 1HG THR 2 -10.588 -2.523 1.837
11 1HG2 THR 2 1HG2 THR 2 -11.890 -4.761 1.246
12 2HG2 THR 2 2HG2 THR 2 -13.481 -4.171 1.725
13 3HG2 THR 2 3HG2 THR 2 -12.055 -3.717 2.658
14 H HIS 3 H HIS 3 -14.255 -1.702 -1.386
15 HA HIS 3 HA HIS 3 -13.235 -0.302 -3.579
16 1HB HIS 3 2HB HIS 3 -15.529 0.438 -1.764
17 2HB HIS 3 1HB HIS 3 -15.229 1.118 -3.360
18 HD1 HIS 3 1HD HIS 3 -14.967 -1.046 -5.231
19 HD2 HIS 3 2HD HIS 3 -17.432 -1.457 -1.912
20 HE1 HIS 3 1HE HIS 3 -16.572 -2.894 -5.810
21 HE2 HIS 3 2HE HIS 3 -18.007 -3.173 -3.759
22 H PHE 4 H PHE 4 -13.456 0.685 -0.161
23 HA PHE 4 HA PHE 4 -11.572 2.846 -0.786
24 1HB PHE 4 2HB PHE 4 -13.840 3.815 -0.775
25 2HB PHE 4 1HB PHE 4 -14.081 3.218 0.862
26 HD1 PHE 4 1HD PHE 4 -14.280 5.098 2.186
27 HD2 PHE 4 2HD PHE 4 -11.121 4.892 -0.659
28 HE1 PHE 4 1HE PHE 4 -13.339 7.185 3.086
29 HE2 PHE 4 2HE PHE 4 -10.173 6.978 0.236
30 HZ PHE 4 HZ PHE 4 -11.282 8.127 2.111
31 HA PRO 5 HA PRO 5 -10.419 0.540 3.101
32 1HB PRO 5 2HB PRO 5 -7.984 -0.306 2.302
33 2HB PRO 5 1HB PRO 5 -9.460 -1.209 1.951
34 1HG PRO 5 2HG PRO 5 -7.864 0.577 0.175
35 2HG PRO 5 1HG PRO 5 -8.690 -0.942 -0.210
36 1HD PRO 5 2HD PRO 5 -9.676 1.562 -0.785
37 2HD PRO 5 1HD PRO 5 -10.672 0.105 -0.606
38 H ILE 6 H ILE 6 -7.449 0.652 3.305
39 HA ILE 6 HA ILE 6 -7.261 3.400 4.237
40 HB ILE 6 HB ILE 6 -5.115 2.644 5.261
41 1HG1 ILE 6 2HG1 ILE 6 -5.989 -0.064 4.224
42 2HG1 ILE 6 1HG1 ILE 6 -4.591 0.847 3.664
43 1HG2 ILE 6 1HG2 ILE 6 -7.755 2.071 6.010
44 2HG2 ILE 6 2HG2 ILE 6 -6.341 2.196 7.056
45 3HG2 ILE 6 3HG2 ILE 6 -6.815 0.631 6.399
46 1HD1 ILE 6 1HD1 ILE 6 -3.742 0.711 6.053
47 2HD1 ILE 6 2HD1 ILE 6 -3.744 -0.782 5.114
48 3HD1 ILE 6 3HD1 ILE 6 -5.004 -0.493 6.313
49 H CYS 7 H CYS 7 -5.706 1.201 1.963
50 HA CYS 7 HA CYS 7 -4.245 1.522 0.254
51 1HB CYS 7 2HB CYS 7 -5.527 4.260 0.277
52 2HB CYS 7 1HB CYS 7 -4.486 3.660 -1.009
53 H ILE 8 H ILE 8 -3.060 1.747 2.733
54 HA ILE 8 HA ILE 8 -1.612 4.062 3.257
55 HB ILE 8 HB ILE 8 0.048 2.628 4.395
56 1HG1 ILE 8 2HG1 ILE 8 -1.612 0.332 3.329
57 2HG1 ILE 8 1HG1 ILE 8 0.002 0.755 2.769
58 1HG2 ILE 8 1HG2 ILE 8 -1.534 3.008 5.937
59 2HG2 ILE 8 2HG2 ILE 8 -1.915 1.303 5.701
60 3HG2 ILE 8 3HG2 ILE 8 -2.847 2.540 4.857
61 1HD1 ILE 8 1HD1 ILE 8 0.627 -0.814 4.243
62 2HD1 ILE 8 2HD1 ILE 8 -0.852 -0.664 5.193
63 3HD1 ILE 8 3HD1 ILE 8 0.459 0.497 5.411
64 H PHE 9 H PHE 9 0.068 5.052 2.337
65 HA PHE 9 HA PHE 9 1.017 4.194 -0.198
66 1HB PHE 9 2HB PHE 9 0.825 6.584 0.507
67 2HB PHE 9 1HB PHE 9 2.180 6.334 1.600
68 HD1 PHE 9 1HD PHE 9 3.708 7.864 0.672
69 HD2 PHE 9 2HD PHE 9 1.879 4.928 -1.807
70 HE1 PHE 9 1HE PHE 9 5.266 8.431 -1.146
71 HE2 PHE 9 2HE PHE 9 3.435 5.486 -3.628
72 HZ PHE 9 HZ PHE 9 5.132 7.241 -3.299
73 H CYS 10 H CYS 10 1.843 2.135 0.167
74 HA CYS 10 HA CYS 10 3.976 1.616 1.992
75 1HB CYS 10 2HB CYS 10 2.932 0.045 -0.370
76 2HB CYS 10 1HB CYS 10 4.138 -0.554 0.760
77 H CYS 11 H CYS 11 5.190 3.590 1.156
78 HA CYS 11 HA CYS 11 6.729 3.022 -1.266
79 1HB CYS 11 2HB CYS 11 5.579 5.241 -0.953
80 2HB CYS 11 1HB CYS 11 6.684 5.560 0.375
81 H GLY 12 H GLY 12 7.845 1.308 -0.078
82 1HA GLY 12 2HA GLY 12 9.567 1.788 2.099
83 2HA GLY 12 1HA GLY 12 9.755 0.490 0.927
84 H CYS 13 H CYS 13 11.296 2.988 2.257
85 HA CYS 13 HA CYS 13 12.443 4.409 0.106
86 1HB CYS 13 2HB CYS 13 13.913 5.368 1.706
87 2HB CYS 13 1HB CYS 13 12.391 5.101 2.548
88 H CYS 14 H CYS 14 13.807 1.922 2.179
89 HA CYS 14 HA CYS 14 15.996 1.647 0.259
90 1HB CYS 14 2HB CYS 14 16.123 1.120 3.207
91 2HB CYS 14 1HB CYS 14 17.421 1.586 2.104
92 H HIS 15 H HIS 15 15.264 -0.403 3.072
93 HA HIS 15 HA HIS 15 16.013 -2.781 1.903
94 1HB HIS 15 2HB HIS 15 15.523 -2.528 4.315
95 2HB HIS 15 1HB HIS 15 13.805 -2.415 3.947
96 HD1 HIS 15 1HD HIS 15 13.043 -4.697 2.390
97 HD2 HIS 15 2HD HIS 15 16.143 -5.014 5.139
98 HE1 HIS 15 1HE HIS 15 13.247 -7.153 2.893
99 HE2 HIS 15 2HE HIS 15 15.078 -7.313 4.615
100 H ARG 16 H ARG 16 12.647 -1.756 2.360
101 HA ARG 16 HA ARG 16 11.812 -3.477 0.163
102 1HB ARG 16 2HB ARG 16 9.509 -2.794 0.891
103 2HB ARG 16 1HB ARG 16 10.441 -3.633 2.122
104 1HG ARG 16 2HG ARG 16 11.038 -1.336 3.021
105 2HG ARG 16 1HG ARG 16 9.775 -0.711 1.958
106 1HD ARG 16 2HD ARG 16 9.424 -2.774 4.131
107 2HD ARG 16 1HD ARG 16 8.910 -1.089 4.204
108 HE ARG 16 HE ARG 16 7.493 -3.232 3.029
109 1HH1 ARG 16 1HH1 ARG 16 8.217 0.146 2.560
110 2HH1 ARG 16 2HH1 ARG 16 6.778 0.457 1.647
111 1HH2 ARG 16 1HH2 ARG 16 5.601 -2.828 1.833
112 2HH2 ARG 16 2HH2 ARG 16 5.294 -1.233 1.234
113 H SER 17 H SER 17 13.335 -1.744 -0.937
114 HA SER 17 HA SER 17 12.480 0.823 -1.551
115 1HB SER 17 2HB SER 17 14.052 0.687 -3.458
116 2HB SER 17 1HB SER 17 14.759 0.086 -1.959
117 HG SER 17 HG SER 17 15.245 -1.477 -3.362
118 H LYS 18 H LYS 18 10.164 0.085 -1.776
119 HA LYS 18 HA LYS 18 9.498 0.254 -4.576
120 1HB LYS 18 2HB LYS 18 7.735 -1.577 -4.334
121 2HB LYS 18 1HB LYS 18 9.401 -2.082 -4.538
122 1HG LYS 18 2HG LYS 18 8.427 -3.493 -2.910
123 2HG LYS 18 1HG LYS 18 9.517 -2.400 -2.059
124 1HD LYS 18 2HD LYS 18 7.797 -1.242 -1.067
125 2HD LYS 18 1HD LYS 18 6.639 -1.666 -2.330
126 1HE LYS 18 2HE LYS 18 6.172 -2.807 -0.196
127 2HE LYS 18 1HE LYS 18 6.517 -3.937 -1.504
128 1HZ LYS 18 1HZ LYS 18 8.020 -3.386 0.919
129 2HZ LYS 18 2HZ LYS 18 8.946 -3.615 -0.478
130 3HZ LYS 18 3HZ LYS 18 7.876 -4.820 0.034
131 H CYS 19 H CYS 19 7.604 1.364 -4.943
132 HA CYS 19 HA CYS 19 6.140 2.162 -2.518
133 1HB CYS 19 2HB CYS 19 6.854 3.940 -4.854
134 2HB CYS 19 1HB CYS 19 5.940 4.423 -3.425
135 H GLY 20 H GLY 20 4.011 2.026 -2.554
136 1HA GLY 20 2HA GLY 20 2.351 2.386 -4.793
137 2HA GLY 20 1HA GLY 20 2.650 0.665 -4.596
138 H MET 21 H MET 21 0.209 2.422 -4.243
139 HA MET 21 HA MET 21 -0.439 2.522 -1.498
140 1HB MET 21 2HB MET 21 -2.246 2.400 -3.916
141 2HB MET 21 1HB MET 21 -2.778 2.784 -2.284
142 1HG MET 21 2HG MET 21 -1.345 4.758 -2.277
143 2HG MET 21 1HG MET 21 -0.805 4.374 -3.911
144 1HE MET 21 1HE MET 21 -4.378 4.280 -5.612
145 2HE MET 21 2HE MET 21 -2.919 3.331 -5.331
146 3HE MET 21 3HE MET 21 -2.826 4.844 -6.232
147 H CYS 22 H CYS 22 -1.009 0.997 -0.124
148 HA CYS 22 HA CYS 22 -1.531 -1.708 -1.106
149 1HB CYS 22 2HB CYS 22 -0.846 -0.631 1.632
150 2HB CYS 22 1HB CYS 22 -1.266 -2.313 1.336
151 H CYS 23 H CYS 23 -3.679 -0.517 -1.790
152 HA CYS 23 HA CYS 23 -5.632 0.101 0.106
153 1HB CYS 23 2HB CYS 23 -5.926 -0.921 -2.718
154 2HB CYS 23 1HB CYS 23 -7.260 -0.303 -1.751
155 H LYS 24 H LYS 24 -5.419 -2.917 -1.810
156 HA LYS 24 HA LYS 24 -7.444 -4.245 -0.413
157 1HB LYS 24 2HB LYS 24 -6.527 -6.316 -1.407
158 2HB LYS 24 1HB LYS 24 -6.725 -5.021 -2.579
159 1HG LYS 24 2HG LYS 24 -4.345 -4.543 -2.478
160 2HG LYS 24 1HG LYS 24 -4.133 -5.809 -1.267
161 1HD LYS 24 2HD LYS 24 -3.484 -6.655 -3.433
162 2HD LYS 24 1HD LYS 24 -4.960 -7.465 -2.908
163 1HE LYS 24 2HE LYS 24 -6.282 -5.967 -4.317
164 2HE LYS 24 1HE LYS 24 -4.808 -5.150 -4.836
165 1HZ LYS 24 1HZ LYS 24 -4.141 -7.574 -5.508
166 2HZ LYS 24 2HZ LYS 24 -5.091 -6.621 -6.533
167 3HZ LYS 24 3HZ LYS 24 -5.816 -7.802 -5.562
168 H THR 25 H THR 25 -3.903 -4.552 -0.002
169 HA THR 25 HA THR 25 -4.119 -6.318 2.213
170 HB THR 25 HB THR 25 -1.727 -5.867 2.589
171 HG1 THR 25 1HG THR 25 -1.532 -4.257 0.331
172 1HG2 THR 25 1HG2 THR 25 -0.939 -6.516 0.263
173 2HG2 THR 25 2HG2 THR 25 -2.624 -6.376 -0.238
174 3HG2 THR 25 3HG2 THR 25 -2.166 -7.554 0.991
Start of MODEL 4
1 1H ASP 1 1HT ASP 1 -7.680 -4.981 -5.203
2 2H ASP 1 2HT ASP 1 -8.714 -4.291 -6.351
3 3H ASP 1 3HT ASP 1 -9.309 -5.436 -5.257
4 HA ASP 1 HA ASP 1 -8.247 -3.549 -3.630
5 1HB ASP 1 2HB ASP 1 -7.941 -2.069 -5.554
6 2HB ASP 1 1HB ASP 1 -9.640 -2.244 -5.981
7 H THR 2 H THR 2 -9.646 -3.391 -1.976
8 HA THR 2 HA THR 2 -12.133 -4.750 -2.085
9 HB THR 2 HB THR 2 -12.474 -3.915 0.224
10 HG1 THR 2 1HG THR 2 -11.543 -1.932 0.276
11 1HG2 THR 2 1HG2 THR 2 -9.821 -5.117 -0.522
12 2HG2 THR 2 2HG2 THR 2 -11.256 -5.921 0.113
13 3HG2 THR 2 3HG2 THR 2 -10.294 -4.878 1.160
14 H HIS 3 H HIS 3 -13.463 -2.676 -0.285
15 HA HIS 3 HA HIS 3 -14.581 -1.078 -2.484
16 1HB HIS 3 2HB HIS 3 -16.134 -2.617 -1.310
17 2HB HIS 3 1HB HIS 3 -15.832 -1.742 0.188
18 HD1 HIS 3 1HD HIS 3 -16.937 -0.766 -3.332
19 HD2 HIS 3 2HD HIS 3 -17.805 0.030 0.653
20 HE1 HIS 3 1HE HIS 3 -18.834 0.884 -3.374
21 HE2 HIS 3 2HE HIS 3 -19.397 1.287 -0.952
22 H PHE 4 H PHE 4 -13.702 -0.829 0.959
23 HA PHE 4 HA PHE 4 -12.908 1.940 0.514
24 1HB PHE 4 2HB PHE 4 -15.272 2.062 1.226
25 2HB PHE 4 1HB PHE 4 -14.868 1.168 2.687
26 HD1 PHE 4 1HD PHE 4 -13.197 4.025 0.959
27 HD2 PHE 4 2HD PHE 4 -15.074 2.573 4.493
28 HE1 PHE 4 1HE PHE 4 -12.660 6.133 2.106
29 HE2 PHE 4 2HE PHE 4 -14.540 4.680 5.644
30 HZ PHE 4 HZ PHE 4 -13.331 6.463 4.452
31 HA PRO 5 HA PRO 5 -10.175 -0.472 3.436
32 1HB PRO 5 2HB PRO 5 -7.928 -0.490 1.974
33 2HB PRO 5 1HB PRO 5 -9.217 -1.669 1.698
34 1HG PRO 5 2HG PRO 5 -8.602 0.847 0.193
35 2HG PRO 5 1HG PRO 5 -9.013 -0.758 -0.437
36 1HD PRO 5 2HD PRO 5 -10.821 1.276 -0.210
37 2HD PRO 5 1HD PRO 5 -11.264 -0.440 -0.128
38 H ILE 6 H ILE 6 -7.382 0.562 2.811
39 HA ILE 6 HA ILE 6 -7.683 3.311 3.820
40 HB ILE 6 HB ILE 6 -5.576 2.892 5.150
41 1HG1 ILE 6 2HG1 ILE 6 -6.295 0.011 4.561
42 2HG1 ILE 6 1HG1 ILE 6 -4.844 0.850 4.025
43 1HG2 ILE 6 1HG2 ILE 6 -6.760 2.051 7.038
44 2HG2 ILE 6 2HG2 ILE 6 -7.924 1.213 6.011
45 3HG2 ILE 6 3HG2 ILE 6 -7.911 2.976 6.072
46 1HD1 ILE 6 1HD1 ILE 6 -4.615 1.216 6.665
47 2HD1 ILE 6 2HD1 ILE 6 -3.958 -0.183 5.815
48 3HD1 ILE 6 3HD1 ILE 6 -5.507 -0.305 6.650
49 H CYS 7 H CYS 7 -5.803 0.970 2.034
50 HA CYS 7 HA CYS 7 -4.308 1.147 0.348
51 1HB CYS 7 2HB CYS 7 -6.070 2.728 -0.527
52 2HB CYS 7 1HB CYS 7 -5.108 4.050 0.131
53 H ILE 8 H ILE 8 -3.004 1.100 2.589
54 HA ILE 8 HA ILE 8 -1.507 3.279 3.432
55 HB ILE 8 HB ILE 8 0.176 1.660 4.233
56 1HG1 ILE 8 2HG1 ILE 8 -1.528 -0.401 2.815
57 2HG1 ILE 8 1HG1 ILE 8 0.072 0.120 2.296
58 1HG2 ILE 8 1HG2 ILE 8 -1.256 1.578 5.926
59 2HG2 ILE 8 2HG2 ILE 8 -1.893 0.095 5.215
60 3HG2 ILE 8 3HG2 ILE 8 -2.644 1.647 4.839
61 1HD1 ILE 8 1HD1 ILE 8 -0.621 -1.348 4.828
62 2HD1 ILE 8 2HD1 ILE 8 0.982 -0.724 4.438
63 3HD1 ILE 8 3HD1 ILE 8 0.255 -1.976 3.432
64 H PHE 9 H PHE 9 0.194 4.382 2.643
65 HA PHE 9 HA PHE 9 1.034 3.934 -0.049
66 1HB PHE 9 2HB PHE 9 0.875 6.194 1.031
67 2HB PHE 9 1HB PHE 9 2.278 5.776 2.006
68 HD1 PHE 9 1HD PHE 9 3.846 7.341 1.273
69 HD2 PHE 9 2HD PHE 9 1.728 4.994 -1.575
70 HE1 PHE 9 1HE PHE 9 5.323 8.177 -0.509
71 HE2 PHE 9 2HE PHE 9 3.203 5.820 -3.363
72 HZ PHE 9 HZ PHE 9 5.002 7.416 -2.831
73 H CYS 10 H CYS 10 1.936 1.897 -0.121
74 HA CYS 10 HA CYS 10 4.043 1.080 1.635
75 1HB CYS 10 2HB CYS 10 3.058 -0.106 -0.963
76 2HB CYS 10 1HB CYS 10 4.199 -0.881 0.128
77 H CYS 11 H CYS 11 5.239 3.215 1.057
78 HA CYS 11 HA CYS 11 6.887 2.831 -1.335
79 1HB CYS 11 2HB CYS 11 5.713 5.020 -1.044
80 2HB CYS 11 1HB CYS 11 6.692 5.299 0.391
81 H GLY 12 H GLY 12 7.990 1.099 -0.202
82 1HA GLY 12 2HA GLY 12 9.617 1.602 2.070
83 2HA GLY 12 1HA GLY 12 9.794 0.252 0.956
84 H CYS 13 H CYS 13 11.226 2.964 2.146
85 HA CYS 13 HA CYS 13 12.568 4.055 -0.097
86 1HB CYS 13 2HB CYS 13 12.697 5.543 1.639
87 2HB CYS 13 1HB CYS 13 12.787 4.276 2.857
88 H CYS 14 H CYS 14 14.053 2.597 2.637
89 HA CYS 14 HA CYS 14 16.263 1.667 1.011
90 1HB CYS 14 2HB CYS 14 16.661 1.599 3.856
91 2HB CYS 14 1HB CYS 14 17.446 2.615 2.646
92 H HIS 15 H HIS 15 14.098 0.520 3.610
93 HA HIS 15 HA HIS 15 15.183 -2.059 3.849
94 1HB HIS 15 2HB HIS 15 13.519 -1.095 5.429
95 2HB HIS 15 1HB HIS 15 12.285 -1.222 4.180
96 HD1 HIS 15 1HD HIS 15 12.268 -3.937 3.209
97 HD2 HIS 15 2HD HIS 15 13.278 -3.136 7.160
98 HE1 HIS 15 1HE HIS 15 11.891 -6.091 4.451
99 HE2 HIS 15 2HE HIS 15 12.434 -5.561 6.853
100 H ARG 16 H ARG 16 11.938 -1.707 2.535
101 HA ARG 16 HA ARG 16 12.627 -3.599 0.421
102 1HB ARG 16 2HB ARG 16 10.210 -3.747 0.001
103 2HB ARG 16 1HB ARG 16 10.587 -4.089 1.681
104 1HG ARG 16 2HG ARG 16 9.666 -1.384 0.750
105 2HG ARG 16 1HG ARG 16 8.548 -2.661 1.226
106 1HD ARG 16 2HD ARG 16 10.652 -2.265 3.184
107 2HD ARG 16 1HD ARG 16 9.740 -0.787 2.889
108 HE ARG 16 HE ARG 16 8.010 -1.708 4.041
109 1HH1 ARG 16 1HH1 ARG 16 10.063 -4.309 2.947
110 2HH1 ARG 16 2HH1 ARG 16 9.118 -5.541 3.713
111 1HH2 ARG 16 1HH2 ARG 16 6.774 -3.324 5.050
112 2HH2 ARG 16 2HH2 ARG 16 7.253 -4.982 4.907
113 H SER 17 H SER 17 13.326 -2.770 -1.447
114 HA SER 17 HA SER 17 12.979 -0.007 -2.095
115 1HB SER 17 2HB SER 17 14.126 -2.282 -3.734
116 2HB SER 17 1HB SER 17 14.217 -0.575 -4.170
117 HG SER 17 HG SER 17 15.117 -0.688 -1.737
118 H LYS 18 H LYS 18 10.524 -0.424 -1.900
119 HA LYS 18 HA LYS 18 9.516 -0.524 -4.633
120 1HB LYS 18 2HB LYS 18 7.683 -2.082 -4.040
121 2HB LYS 18 1HB LYS 18 9.271 -2.832 -3.970
122 1HG LYS 18 2HG LYS 18 9.271 -2.567 -1.528
123 2HG LYS 18 1HG LYS 18 7.656 -1.861 -1.620
124 1HD LYS 18 2HD LYS 18 6.795 -3.934 -2.580
125 2HD LYS 18 1HD LYS 18 8.413 -4.640 -2.525
126 1HE LYS 18 2HE LYS 18 8.420 -4.414 -0.084
127 2HE LYS 18 1HE LYS 18 6.799 -3.722 -0.147
128 1HZ LYS 18 1HZ LYS 18 6.058 -5.832 -1.185
129 2HZ LYS 18 2HZ LYS 18 6.619 -6.020 0.399
130 3HZ LYS 18 3HZ LYS 18 7.595 -6.480 -0.904
131 H CYS 19 H CYS 19 8.059 1.025 -4.975
132 HA CYS 19 HA CYS 19 6.595 2.070 -2.652
133 1HB CYS 19 2HB CYS 19 7.949 3.634 -4.845
134 2HB CYS 19 1HB CYS 19 6.712 4.335 -3.806
135 H GLY 20 H GLY 20 4.468 2.204 -2.859
136 1HA GLY 20 2HA GLY 20 3.051 2.843 -5.176
137 2HA GLY 20 1HA GLY 20 3.157 1.090 -5.096
138 H MET 21 H MET 21 0.854 2.954 -4.859
139 HA MET 21 HA MET 21 -0.035 2.984 -2.168
140 1HB MET 21 2HB MET 21 -1.659 3.120 -4.717
141 2HB MET 21 1HB MET 21 -2.221 3.569 -3.113
142 1HG MET 21 2HG MET 21 -0.589 5.366 -3.025
143 2HG MET 21 1HG MET 21 0.017 4.904 -4.615
144 1HE MET 21 1HE MET 21 -2.989 5.685 -2.578
145 2HE MET 21 2HE MET 21 -4.144 5.239 -3.834
146 3HE MET 21 3HE MET 21 -3.854 6.939 -3.464
147 H CYS 22 H CYS 22 -0.664 1.326 -0.974
148 HA CYS 22 HA CYS 22 -1.367 -1.204 -2.230
149 1HB CYS 22 2HB CYS 22 -0.756 -0.390 0.603
150 2HB CYS 22 1HB CYS 22 -1.433 -1.969 0.224
151 H CYS 23 H CYS 23 -3.315 0.423 -2.901
152 HA CYS 23 HA CYS 23 -5.404 0.859 -1.109
153 1HB CYS 23 2HB CYS 23 -5.343 0.529 -4.095
154 2HB CYS 23 1HB CYS 23 -6.845 0.833 -3.232
155 H LYS 24 H LYS 24 -4.750 -1.959 -3.164
156 HA LYS 24 HA LYS 24 -7.148 -3.308 -2.722
157 1HB LYS 24 2HB LYS 24 -5.964 -5.338 -3.383
158 2HB LYS 24 1HB LYS 24 -5.552 -3.991 -4.434
159 1HG LYS 24 2HG LYS 24 -3.446 -3.690 -3.219
160 2HG LYS 24 1HG LYS 24 -3.860 -5.053 -2.178
161 1HD LYS 24 2HD LYS 24 -2.347 -5.810 -3.892
162 2HD LYS 24 1HD LYS 24 -3.942 -6.501 -4.192
163 1HE LYS 24 2HE LYS 24 -2.953 -5.724 -6.269
164 2HE LYS 24 1HE LYS 24 -4.372 -4.759 -5.865
165 1HZ LYS 24 1HZ LYS 24 -1.999 -3.733 -6.547
166 2HZ LYS 24 2HZ LYS 24 -1.863 -3.725 -4.861
167 3HZ LYS 24 3HZ LYS 24 -3.146 -2.916 -5.609
168 H THR 25 H THR 25 -4.104 -3.504 -0.882
169 HA THR 25 HA THR 25 -5.049 -5.430 0.970
170 HB THR 25 HB THR 25 -3.116 -4.820 2.348
171 HG1 THR 25 1HG THR 25 -2.729 -2.741 0.434
172 1HG2 THR 25 1HG2 THR 25 -2.882 -5.359 -0.551
173 2HG2 THR 25 2HG2 THR 25 -2.303 -6.296 0.827
174 3HG2 THR 25 3HG2 THR 25 -1.402 -4.881 0.281
Start of MODEL 5
1 1H ASP 1 1HT ASP 1 -6.625 -7.396 -0.220
2 2H ASP 1 2HT ASP 1 -6.224 -5.900 0.462
3 3H ASP 1 3HT ASP 1 -7.380 -5.985 -0.769
4 HA ASP 1 HA ASP 1 -7.931 -7.605 1.563
5 1HB ASP 1 2HB ASP 1 -6.891 -5.468 2.433
6 2HB ASP 1 1HB ASP 1 -8.227 -4.596 1.689
7 H THR 2 H THR 2 -10.170 -5.380 1.826
8 HA THR 2 HA THR 2 -12.027 -6.757 0.122
9 HB THR 2 HB THR 2 -12.668 -4.232 1.637
10 HG1 THR 2 1HG THR 2 -12.347 -5.252 3.465
11 1HG2 THR 2 1HG2 THR 2 -14.550 -6.417 1.804
12 2HG2 THR 2 2HG2 THR 2 -14.172 -6.046 0.123
13 3HG2 THR 2 3HG2 THR 2 -14.788 -4.782 1.186
14 H HIS 3 H HIS 3 -13.474 -3.981 -0.151
15 HA HIS 3 HA HIS 3 -11.957 -3.074 -2.503
16 1HB HIS 3 2HB HIS 3 -14.967 -3.309 -2.276
17 2HB HIS 3 1HB HIS 3 -14.084 -2.691 -3.668
18 HD1 HIS 3 1HD HIS 3 -12.158 -4.651 -4.481
19 HD2 HIS 3 2HD HIS 3 -15.712 -5.861 -2.702
20 HE1 HIS 3 1HE HIS 3 -12.466 -7.052 -5.161
21 HE2 HIS 3 2HE HIS 3 -14.645 -7.753 -4.105
22 H PHE 4 H PHE 4 -12.146 -2.098 0.311
23 HA PHE 4 HA PHE 4 -12.704 0.692 -0.344
24 1HB PHE 4 2HB PHE 4 -13.862 -0.631 2.122
25 2HB PHE 4 1HB PHE 4 -14.006 1.067 1.689
26 HD1 PHE 4 1HD PHE 4 -14.991 -2.359 0.698
27 HD2 PHE 4 2HD PHE 4 -15.712 1.813 0.254
28 HE1 PHE 4 1HE PHE 4 -17.074 -2.851 -0.516
29 HE2 PHE 4 2HE PHE 4 -17.797 1.327 -0.958
30 HZ PHE 4 HZ PHE 4 -18.480 -1.009 -1.344
31 HA PRO 5 HA PRO 5 -8.917 -0.235 2.349
32 1HB PRO 5 2HB PRO 5 -7.031 0.673 0.617
33 2HB PRO 5 1HB PRO 5 -7.591 -1.003 0.641
34 1HG PRO 5 2HG PRO 5 -8.401 1.240 -1.170
35 2HG PRO 5 1HG PRO 5 -8.045 -0.450 -1.572
36 1HD PRO 5 2HD PRO 5 -10.572 0.478 -1.331
37 2HD PRO 5 1HD PRO 5 -10.125 -1.183 -0.895
38 H ILE 6 H ILE 6 -6.850 1.769 1.643
39 HA ILE 6 HA ILE 6 -8.231 4.272 2.300
40 HB ILE 6 HB ILE 6 -6.405 4.787 3.944
41 1HG1 ILE 6 2HG1 ILE 6 -5.877 1.819 3.648
42 2HG1 ILE 6 1HG1 ILE 6 -4.770 3.122 3.227
43 1HG2 ILE 6 1HG2 ILE 6 -8.386 4.347 5.000
44 2HG2 ILE 6 2HG2 ILE 6 -7.395 3.044 5.655
45 3HG2 ILE 6 3HG2 ILE 6 -8.511 2.721 4.329
46 1HD1 ILE 6 1HD1 ILE 6 -4.400 1.870 5.424
47 2HD1 ILE 6 2HD1 ILE 6 -5.778 2.791 6.025
48 3HD1 ILE 6 3HD1 ILE 6 -4.337 3.633 5.453
49 H CYS 7 H CYS 7 -5.400 2.635 1.057
50 HA CYS 7 HA CYS 7 -3.803 3.230 -0.430
51 1HB CYS 7 2HB CYS 7 -5.742 5.448 -1.077
52 2HB CYS 7 1HB CYS 7 -4.342 5.015 -2.051
53 H ILE 8 H ILE 8 -3.225 3.933 2.095
54 HA ILE 8 HA ILE 8 -2.378 6.697 2.223
55 HB ILE 8 HB ILE 8 -1.379 6.077 4.388
56 1HG1 ILE 8 2HG1 ILE 8 -2.430 3.305 3.762
57 2HG1 ILE 8 1HG1 ILE 8 -0.732 3.768 3.792
58 1HG2 ILE 8 1HG2 ILE 8 -3.443 5.679 5.562
59 2HG2 ILE 8 2HG2 ILE 8 -4.192 5.030 4.103
60 3HG2 ILE 8 3HG2 ILE 8 -3.759 6.737 4.187
61 1HD1 ILE 8 1HD1 ILE 8 -2.561 3.952 6.170
62 2HD1 ILE 8 2HD1 ILE 8 -0.810 4.158 6.141
63 3HD1 ILE 8 3HD1 ILE 8 -1.517 2.574 5.822
64 H PHE 9 H PHE 9 -0.316 7.464 2.001
65 HA PHE 9 HA PHE 9 1.449 6.241 0.258
66 1HB PHE 9 2HB PHE 9 1.501 8.639 0.768
67 2HB PHE 9 1HB PHE 9 2.074 8.291 2.395
68 HD1 PHE 9 1HD PHE 9 3.093 7.058 -0.983
69 HD2 PHE 9 2HD PHE 9 4.237 9.001 2.627
70 HE1 PHE 9 1HE PHE 9 5.418 7.164 -1.780
71 HE2 PHE 9 2HE PHE 9 6.564 9.112 1.835
72 HZ PHE 9 HZ PHE 9 7.157 8.193 -0.372
73 H CYS 10 H CYS 10 3.134 4.852 0.429
74 HA CYS 10 HA CYS 10 4.322 4.229 2.986
75 1HB CYS 10 2HB CYS 10 3.436 2.188 3.384
76 2HB CYS 10 1HB CYS 10 2.120 2.743 2.361
77 H CYS 11 H CYS 11 6.386 3.458 2.766
78 HA CYS 11 HA CYS 11 7.258 2.778 0.038
79 1HB CYS 11 2HB CYS 11 7.894 5.097 0.561
80 2HB CYS 11 1HB CYS 11 8.740 4.538 2.001
81 H GLY 12 H GLY 12 8.206 0.855 -0.065
82 1HA GLY 12 2HA GLY 12 8.842 -0.648 2.274
83 2HA GLY 12 1HA GLY 12 9.200 -1.112 0.614
84 H CYS 13 H CYS 13 10.587 -0.541 3.466
85 HA CYS 13 HA CYS 13 12.792 1.142 2.892
86 1HB CYS 13 2HB CYS 13 13.693 0.424 4.985
87 2HB CYS 13 1HB CYS 13 11.948 0.500 5.196
88 H CYS 14 H CYS 14 12.511 -2.318 3.234
89 HA CYS 14 HA CYS 14 15.119 -2.625 1.950
90 1HB CYS 14 2HB CYS 14 13.882 -4.488 3.947
91 2HB CYS 14 1HB CYS 14 15.590 -4.198 3.605
92 H HIS 15 H HIS 15 12.145 -4.545 2.581
93 HA HIS 15 HA HIS 15 12.650 -6.465 0.600
94 1HB HIS 15 2HB HIS 15 10.946 -6.767 2.360
95 2HB HIS 15 1HB HIS 15 9.968 -5.496 1.632
96 HD1 HIS 15 1HD HIS 15 9.521 -6.140 -1.126
97 HD2 HIS 15 2HD HIS 15 10.016 -9.189 1.653
98 HE1 HIS 15 1HE HIS 15 8.487 -8.179 -2.174
99 HE2 HIS 15 2HE HIS 15 8.747 -9.999 -0.451
100 H ARG 16 H ARG 16 9.950 -4.200 0.327
101 HA ARG 16 HA ARG 16 10.456 -3.987 -2.532
102 1HB ARG 16 2HB ARG 16 8.256 -2.824 -2.613
103 2HB ARG 16 1HB ARG 16 8.161 -4.451 -1.957
104 1HG ARG 16 2HG ARG 16 8.372 -2.073 -0.150
105 2HG ARG 16 1HG ARG 16 6.823 -2.575 -0.827
106 1HD ARG 16 2HD ARG 16 8.665 -4.307 0.818
107 2HD ARG 16 1HD ARG 16 7.209 -3.511 1.412
108 HE ARG 16 HE ARG 16 6.536 -5.093 -0.806
109 1HH1 ARG 16 1HH1 ARG 16 7.589 -5.432 2.499
110 2HH1 ARG 16 2HH1 ARG 16 6.817 -6.966 2.723
111 1HH2 ARG 16 1HH2 ARG 16 5.513 -7.111 -0.518
112 2HH2 ARG 16 2HH2 ARG 16 5.635 -7.919 1.010
113 H SER 17 H SER 17 12.438 -2.772 -2.061
114 HA SER 17 HA SER 17 12.550 -0.269 -0.830
115 1HB SER 17 2HB SER 17 14.569 -1.543 -1.348
116 2HB SER 17 1HB SER 17 14.253 -1.379 -3.075
117 HG SER 17 HG SER 17 15.177 0.494 -3.008
118 H LYS 18 H LYS 18 10.422 0.399 -1.725
119 HA LYS 18 HA LYS 18 10.862 2.240 -3.937
120 1HB LYS 18 2HB LYS 18 8.724 1.473 -5.040
121 2HB LYS 18 1HB LYS 18 10.085 0.365 -5.166
122 1HG LYS 18 2HG LYS 18 9.128 -0.854 -3.180
123 2HG LYS 18 1HG LYS 18 7.687 0.143 -3.371
124 1HD LYS 18 2HD LYS 18 7.292 -1.931 -4.477
125 2HD LYS 18 1HD LYS 18 7.514 -0.700 -5.719
126 1HE LYS 18 2HE LYS 18 9.670 -2.582 -4.770
127 2HE LYS 18 1HE LYS 18 8.668 -2.857 -6.193
128 1HZ LYS 18 1HZ LYS 18 10.805 -0.892 -5.774
129 2HZ LYS 18 2HZ LYS 18 9.544 -0.499 -6.831
130 3HZ LYS 18 3HZ LYS 18 10.491 -1.872 -7.118
131 H CYS 19 H CYS 19 9.726 4.112 -3.753
132 HA CYS 19 HA CYS 19 7.917 4.323 -1.450
133 1HB CYS 19 2HB CYS 19 9.474 6.426 -2.958
134 2HB CYS 19 1HB CYS 19 8.295 6.800 -1.707
135 H GLY 20 H GLY 20 5.805 4.767 -1.694
136 1HA GLY 20 2HA GLY 20 4.601 6.303 -3.660
137 2HA GLY 20 1HA GLY 20 4.628 4.661 -4.287
138 H MET 21 H MET 21 2.329 6.335 -3.548
139 HA MET 21 HA MET 21 1.167 5.719 -1.121
140 1HB MET 21 2HB MET 21 -0.179 5.987 -3.814
141 2HB MET 21 1HB MET 21 -1.020 6.009 -2.271
142 1HG MET 21 2HG MET 21 0.212 8.015 -1.626
143 2HG MET 21 1HG MET 21 1.060 7.991 -3.170
144 1HE MET 21 1HE MET 21 -3.055 7.308 -2.893
145 2HE MET 21 2HE MET 21 -3.317 8.968 -2.361
146 3HE MET 21 3HE MET 21 -2.257 7.903 -1.437
147 H CYS 22 H CYS 22 0.018 4.027 -0.279
148 HA CYS 22 HA CYS 22 -0.232 1.607 -1.937
149 1HB CYS 22 2HB CYS 22 0.570 1.557 0.971
150 2HB CYS 22 1HB CYS 22 0.576 0.219 -0.176
151 H CYS 23 H CYS 23 -2.176 0.678 -1.864
152 HA CYS 23 HA CYS 23 -4.164 1.761 -0.044
153 1HB CYS 23 2HB CYS 23 -4.505 -0.201 -2.320
154 2HB CYS 23 1HB CYS 23 -5.800 0.603 -1.439
155 H LYS 24 H LYS 24 -5.287 -1.212 -0.790
156 HA LYS 24 HA LYS 24 -5.373 -2.184 1.782
157 1HB LYS 24 2HB LYS 24 -6.008 -4.320 0.801
158 2HB LYS 24 1HB LYS 24 -6.769 -2.997 -0.075
159 1HG LYS 24 2HG LYS 24 -4.552 -3.290 -1.553
160 2HG LYS 24 1HG LYS 24 -4.739 -4.942 -0.962
161 1HD LYS 24 2HD LYS 24 -5.895 -4.735 -3.059
162 2HD LYS 24 1HD LYS 24 -7.090 -4.903 -1.770
163 1HE LYS 24 2HE LYS 24 -7.417 -2.477 -1.763
164 2HE LYS 24 1HE LYS 24 -6.223 -2.312 -3.051
165 1HZ LYS 24 1HZ LYS 24 -7.755 -2.791 -4.565
166 2HZ LYS 24 2HZ LYS 24 -8.929 -2.699 -3.351
167 3HZ LYS 24 3HZ LYS 24 -8.241 -4.193 -3.750
168 H THR 25 H THR 25 -2.986 -2.912 -0.744
169 HA THR 25 HA THR 25 -0.935 -3.416 1.182
170 HB THR 25 HB THR 25 -1.950 -5.783 -0.411
171 HG1 THR 25 1HG THR 25 -1.742 -5.483 2.413
172 1HG2 THR 25 1HG2 THR 25 -0.140 -6.893 1.154
173 2HG2 THR 25 2HG2 THR 25 0.573 -5.281 1.096
174 3HG2 THR 25 3HG2 THR 25 0.312 -6.184 -0.397
Start of MODEL 6
1 1H ASP 1 1HT ASP 1 -9.838 -7.355 -0.363
2 2H ASP 1 2HT ASP 1 -9.917 -8.206 1.097
3 3H ASP 1 3HT ASP 1 -8.482 -8.196 0.202
4 HA ASP 1 HA ASP 1 -9.610 -6.150 1.946
5 1HB ASP 1 2HB ASP 1 -6.799 -7.005 1.211
6 2HB ASP 1 1HB ASP 1 -7.219 -5.865 2.486
7 H THR 2 H THR 2 -7.599 -6.400 -0.967
8 HA THR 2 HA THR 2 -7.369 -3.577 -1.315
9 HB THR 2 HB THR 2 -6.857 -5.702 -3.401
10 HG1 THR 2 1HG THR 2 -5.385 -6.343 -2.010
11 1HG2 THR 2 1HG2 THR 2 -5.016 -3.903 -3.919
12 2HG2 THR 2 2HG2 THR 2 -6.123 -2.824 -3.070
13 3HG2 THR 2 3HG2 THR 2 -6.663 -3.686 -4.510
14 H HIS 3 H HIS 3 -9.868 -3.537 -1.063
15 HA HIS 3 HA HIS 3 -11.008 -3.429 -3.775
16 1HB HIS 3 2HB HIS 3 -12.499 -4.137 -1.236
17 2HB HIS 3 1HB HIS 3 -13.193 -4.030 -2.850
18 HD1 HIS 3 1HD HIS 3 -11.645 -5.729 -4.596
19 HD2 HIS 3 2HD HIS 3 -12.117 -6.720 -0.588
20 HE1 HIS 3 1HE HIS 3 -11.204 -8.201 -4.458
21 HE2 HIS 3 2HE HIS 3 -11.450 -8.770 -2.016
22 H PHE 4 H PHE 4 -11.473 -2.273 -0.447
23 HA PHE 4 HA PHE 4 -11.652 0.462 -1.429
24 1HB PHE 4 2HB PHE 4 -13.988 -0.413 -1.449
25 2HB PHE 4 1HB PHE 4 -13.854 -0.725 0.278
26 HD1 PHE 4 1HD PHE 4 -12.881 2.184 -1.853
27 HD2 PHE 4 2HD PHE 4 -15.179 0.750 1.430
28 HE1 PHE 4 1HE PHE 4 -13.630 4.479 -1.380
29 HE2 PHE 4 2HE PHE 4 -15.933 3.042 1.908
30 HZ PHE 4 HZ PHE 4 -15.160 4.911 0.502
31 HA PRO 5 HA PRO 5 -9.692 -0.249 2.821
32 1HB PRO 5 2HB PRO 5 -7.080 0.207 1.635
33 2HB PRO 5 1HB PRO 5 -7.656 -1.189 2.545
34 1HG PRO 5 2HG PRO 5 -7.095 -1.281 -0.111
35 2HG PRO 5 1HG PRO 5 -8.314 -2.312 0.659
36 1HD PRO 5 2HD PRO 5 -8.686 0.212 -0.915
37 2HD PRO 5 1HD PRO 5 -9.627 -1.296 -0.965
38 H ILE 6 H ILE 6 -7.195 1.309 2.993
39 HA ILE 6 HA ILE 6 -8.420 3.959 3.113
40 HB ILE 6 HB ILE 6 -6.436 4.544 4.515
41 1HG1 ILE 6 2HG1 ILE 6 -5.881 1.575 4.296
42 2HG1 ILE 6 1HG1 ILE 6 -4.881 2.861 3.631
43 1HG2 ILE 6 1HG2 ILE 6 -7.604 3.941 6.326
44 2HG2 ILE 6 2HG2 ILE 6 -7.502 2.224 5.934
45 3HG2 ILE 6 3HG2 ILE 6 -8.739 3.229 5.180
46 1HD1 ILE 6 1HD1 ILE 6 -5.455 2.721 6.562
47 2HD1 ILE 6 2HD1 ILE 6 -4.126 3.522 5.723
48 3HD1 ILE 6 3HD1 ILE 6 -4.168 1.763 5.831
49 H CYS 7 H CYS 7 -5.556 2.335 1.806
50 HA CYS 7 HA CYS 7 -4.084 2.903 0.175
51 1HB CYS 7 2HB CYS 7 -6.404 4.663 -0.574
52 2HB CYS 7 1HB CYS 7 -4.898 4.714 -1.478
53 H ILE 8 H ILE 8 -3.616 4.016 2.662
54 HA ILE 8 HA ILE 8 -3.025 6.826 2.380
55 HB ILE 8 HB ILE 8 -2.110 6.725 4.604
56 1HG1 ILE 8 2HG1 ILE 8 -2.433 3.720 4.403
57 2HG1 ILE 8 1HG1 ILE 8 -0.903 4.590 4.400
58 1HG2 ILE 8 1HG2 ILE 8 -4.618 6.622 4.170
59 2HG2 ILE 8 2HG2 ILE 8 -4.059 6.199 5.789
60 3HG2 ILE 8 3HG2 ILE 8 -4.509 4.929 4.651
61 1HD1 ILE 8 1HD1 ILE 8 -2.848 4.719 6.684
62 2HD1 ILE 8 2HD1 ILE 8 -1.163 5.237 6.656
63 3HD1 ILE 8 3HD1 ILE 8 -1.559 3.520 6.572
64 H PHE 9 H PHE 9 -0.998 7.776 2.304
65 HA PHE 9 HA PHE 9 0.868 6.689 0.583
66 1HB PHE 9 2HB PHE 9 0.668 9.095 1.150
67 2HB PHE 9 1HB PHE 9 1.393 8.766 2.718
68 HD1 PHE 9 1HD PHE 9 3.406 9.885 2.707
69 HD2 PHE 9 2HD PHE 9 2.349 7.490 -0.658
70 HE1 PHE 9 1HE PHE 9 5.640 10.255 1.747
71 HE2 PHE 9 2HE PHE 9 4.584 7.863 -1.619
72 HZ PHE 9 HZ PHE 9 6.231 9.243 -0.418
73 H CYS 10 H CYS 10 2.607 5.425 0.751
74 HA CYS 10 HA CYS 10 3.996 4.884 3.198
75 1HB CYS 10 2HB CYS 10 2.133 2.837 2.013
76 2HB CYS 10 1HB CYS 10 3.539 2.353 2.952
77 H CYS 11 H CYS 11 6.073 4.702 2.568
78 HA CYS 11 HA CYS 11 6.650 3.905 -0.176
79 1HB CYS 11 2HB CYS 11 7.800 5.885 0.599
80 2HB CYS 11 1HB CYS 11 8.435 5.019 1.995
81 H GLY 12 H GLY 12 7.492 1.998 -0.760
82 1HA GLY 12 2HA GLY 12 7.632 -0.149 1.093
83 2HA GLY 12 1HA GLY 12 8.167 -0.196 -0.583
84 H CYS 13 H CYS 13 9.068 0.214 2.693
85 HA CYS 13 HA CYS 13 11.689 1.245 2.389
86 1HB CYS 13 2HB CYS 13 11.977 0.746 4.706
87 2HB CYS 13 1HB CYS 13 10.302 1.246 4.506
88 H CYS 14 H CYS 14 10.497 -1.968 3.103
89 HA CYS 14 HA CYS 14 13.177 -3.005 2.574
90 1HB CYS 14 2HB CYS 14 11.117 -4.181 4.409
91 2HB CYS 14 1HB CYS 14 12.874 -4.346 4.464
92 H HIS 15 H HIS 15 9.781 -4.251 2.627
93 HA HIS 15 HA HIS 15 10.352 -6.537 1.115
94 1HB HIS 15 2HB HIS 15 8.168 -5.984 2.338
95 2HB HIS 15 1HB HIS 15 7.739 -5.030 0.921
96 HD1 HIS 15 1HD HIS 15 8.352 -6.739 -1.395
97 HD2 HIS 15 2HD HIS 15 6.870 -8.338 2.142
98 HE1 HIS 15 1HE HIS 15 7.322 -8.943 -2.033
99 HE2 HIS 15 2HE HIS 15 6.528 -9.939 0.141
100 H ARG 16 H ARG 16 8.449 -3.845 -0.212
101 HA ARG 16 HA ARG 16 9.768 -4.226 -2.796
102 1HB ARG 16 2HB ARG 16 7.390 -2.552 -1.963
103 2HB ARG 16 1HB ARG 16 8.101 -2.481 -3.568
104 1HG ARG 16 2HG ARG 16 6.257 -3.885 -3.761
105 2HG ARG 16 1HG ARG 16 7.654 -4.960 -3.719
106 1HD ARG 16 2HD ARG 16 5.845 -5.815 -2.321
107 2HD ARG 16 1HD ARG 16 7.257 -5.395 -1.352
108 HE ARG 16 HE ARG 16 5.946 -3.915 -0.234
109 1HH1 ARG 16 1HH1 ARG 16 4.526 -4.441 -3.375
110 2HH1 ARG 16 2HH1 ARG 16 3.160 -3.422 -3.066
111 1HH2 ARG 16 1HH2 ARG 16 4.150 -2.577 0.176
112 2HH2 ARG 16 2HH2 ARG 16 2.946 -2.364 -1.051
113 H SER 17 H SER 17 11.532 -2.999 -3.237
114 HA SER 17 HA SER 17 12.149 -0.720 -1.577
115 1HB SER 17 2HB SER 17 13.550 -1.774 -4.055
116 2HB SER 17 1HB SER 17 14.186 -0.540 -2.967
117 HG SER 17 HG SER 17 15.024 -2.217 -2.000
118 H LYS 18 H LYS 18 9.830 -0.024 -2.481
119 HA LYS 18 HA LYS 18 10.401 2.079 -4.446
120 1HB LYS 18 2HB LYS 18 8.060 0.192 -4.750
121 2HB LYS 18 1HB LYS 18 8.465 1.534 -5.808
122 1HG LYS 18 2HG LYS 18 10.407 0.421 -6.609
123 2HG LYS 18 1HG LYS 18 10.260 -0.840 -5.382
124 1HD LYS 18 2HD LYS 18 8.141 -1.558 -6.386
125 2HD LYS 18 1HD LYS 18 8.309 -0.310 -7.623
126 1HE LYS 18 2HE LYS 18 10.390 -1.359 -8.386
127 2HE LYS 18 1HE LYS 18 10.206 -2.610 -7.158
128 1HZ LYS 18 1HZ LYS 18 9.140 -2.570 -9.731
129 2HZ LYS 18 2HZ LYS 18 7.837 -2.446 -8.660
130 3HZ LYS 18 3HZ LYS 18 8.916 -3.742 -8.532
131 H CYS 19 H CYS 19 9.501 3.965 -3.847
132 HA CYS 19 HA CYS 19 7.782 4.076 -1.549
133 1HB CYS 19 2HB CYS 19 8.866 6.182 -3.415
134 2HB CYS 19 1HB CYS 19 7.731 6.569 -2.127
135 H GLY 20 H GLY 20 5.619 4.380 -1.451
136 1HA GLY 20 2HA GLY 20 4.079 5.352 -3.662
137 2HA GLY 20 1HA GLY 20 3.915 3.611 -3.462
138 H MET 21 H MET 21 1.765 3.643 -2.823
139 HA MET 21 HA MET 21 1.277 4.815 -0.174
140 1HB MET 21 2HB MET 21 -0.655 4.701 -2.492
141 2HB MET 21 1HB MET 21 -1.061 5.237 -0.867
142 1HG MET 21 2HG MET 21 0.494 7.087 -1.063
143 2HG MET 21 1HG MET 21 0.971 6.536 -2.668
144 1HE MET 21 1HE MET 21 -1.363 7.194 -5.034
145 2HE MET 21 2HE MET 21 -2.573 6.279 -4.133
146 3HE MET 21 3HE MET 21 -0.900 5.722 -4.177
147 H CYS 22 H CYS 22 0.864 3.303 1.290
148 HA CYS 22 HA CYS 22 0.245 0.602 0.553
149 1HB CYS 22 2HB CYS 22 0.207 0.166 2.964
150 2HB CYS 22 1HB CYS 22 1.626 1.115 2.535
151 H CYS 23 H CYS 23 -1.723 -0.274 0.273
152 HA CYS 23 HA CYS 23 -4.022 1.152 1.431
153 1HB CYS 23 2HB CYS 23 -3.701 1.404 -1.104
154 2HB CYS 23 1HB CYS 23 -4.160 -0.293 -1.206
155 H LYS 24 H LYS 24 -2.944 -1.952 0.066
156 HA LYS 24 HA LYS 24 -5.055 -3.518 1.022
157 1HB LYS 24 2HB LYS 24 -2.277 -4.629 0.872
158 2HB LYS 24 1HB LYS 24 -3.803 -5.374 0.409
159 1HG LYS 24 2HG LYS 24 -3.939 -3.919 -1.539
160 2HG LYS 24 1HG LYS 24 -2.420 -3.147 -1.075
161 1HD LYS 24 2HD LYS 24 -1.278 -5.319 -1.282
162 2HD LYS 24 1HD LYS 24 -2.797 -6.054 -1.799
163 1HE LYS 24 2HE LYS 24 -2.856 -4.536 -3.730
164 2HE LYS 24 1HE LYS 24 -1.321 -3.836 -3.217
165 1HZ LYS 24 1HZ LYS 24 -0.359 -5.392 -4.450
166 2HZ LYS 24 2HZ LYS 24 -1.812 -6.224 -4.690
167 3HZ LYS 24 3HZ LYS 24 -0.873 -6.540 -3.319
168 H THR 25 H THR 25 -5.516 -4.438 2.950
169 HA THR 25 HA THR 25 -4.363 -3.444 5.310
170 HB THR 25 HB THR 25 -5.676 -5.156 6.494
171 HG1 THR 25 1HG THR 25 -6.712 -6.760 5.384
172 1HG2 THR 25 1HG2 THR 25 -6.649 -3.091 4.900
173 2HG2 THR 25 2HG2 THR 25 -7.501 -3.901 6.215
174 3HG2 THR 25 3HG2 THR 25 -7.708 -4.458 4.555
Start of MODEL 7
1 1H ASP 1 1HT ASP 1 -8.469 -9.592 -2.542
2 2H ASP 1 2HT ASP 1 -6.875 -9.858 -2.042
3 3H ASP 1 3HT ASP 1 -7.245 -8.518 -3.005
4 HA ASP 1 HA ASP 1 -8.807 -8.585 -0.619
5 1HB ASP 1 2HB ASP 1 -6.919 -8.051 0.903
6 2HB ASP 1 1HB ASP 1 -6.853 -9.701 0.293
7 H THR 2 H THR 2 -8.944 -7.142 -2.948
8 HA THR 2 HA THR 2 -7.598 -4.626 -2.709
9 HB THR 2 HB THR 2 -8.946 -3.916 -4.620
10 HG1 THR 2 1HG THR 2 -10.729 -5.548 -3.705
11 1HG2 THR 2 1HG2 THR 2 -8.486 -6.446 -5.798
12 2HG2 THR 2 2HG2 THR 2 -7.231 -6.199 -4.584
13 3HG2 THR 2 3HG2 THR 2 -7.462 -5.011 -5.867
14 H HIS 3 H HIS 3 -8.633 -4.841 -0.356
15 HA HIS 3 HA HIS 3 -11.269 -3.681 -0.146
16 1HB HIS 3 2HB HIS 3 -10.444 -5.325 1.517
17 2HB HIS 3 1HB HIS 3 -9.193 -4.187 2.003
18 HD1 HIS 3 1HD HIS 3 -12.990 -3.980 1.660
19 HD2 HIS 3 2HD HIS 3 -9.932 -2.955 4.281
20 HE1 HIS 3 1HE HIS 3 -14.122 -2.877 3.617
21 HE2 HIS 3 2HE HIS 3 -12.258 -2.334 5.223
22 H PHE 4 H PHE 4 -10.169 -1.917 -1.643
23 HA PHE 4 HA PHE 4 -8.436 -0.004 -0.777
24 1HB PHE 4 2HB PHE 4 -10.025 1.597 -2.166
25 2HB PHE 4 1HB PHE 4 -9.044 0.365 -2.946
26 HD1 PHE 4 1HD PHE 4 -12.337 0.199 -1.167
27 HD2 PHE 4 2HD PHE 4 -10.161 -0.433 -4.770
28 HE1 PHE 4 1HE PHE 4 -14.347 -0.756 -2.208
29 HE2 PHE 4 2HE PHE 4 -12.170 -1.389 -5.818
30 HZ PHE 4 HZ PHE 4 -14.267 -1.551 -4.537
31 HA PRO 5 HA PRO 5 -10.882 1.807 2.560
32 1HB PRO 5 2HB PRO 5 -8.933 1.874 4.372
33 2HB PRO 5 1HB PRO 5 -9.671 0.335 3.908
34 1HG PRO 5 2HG PRO 5 -7.003 1.424 3.232
35 2HG PRO 5 1HG PRO 5 -7.538 -0.261 3.335
36 1HD PRO 5 2HD PRO 5 -7.297 1.399 0.990
37 2HD PRO 5 1HD PRO 5 -7.788 -0.304 1.084
38 H ILE 6 H ILE 6 -8.683 3.304 4.175
39 HA ILE 6 HA ILE 6 -9.131 5.872 3.081
40 HB ILE 6 HB ILE 6 -7.244 6.521 4.716
41 1HG1 ILE 6 2HG1 ILE 6 -7.685 3.622 5.459
42 2HG1 ILE 6 1HG1 ILE 6 -6.175 4.366 4.946
43 1HG2 ILE 6 1HG2 ILE 6 -8.960 7.047 6.026
44 2HG2 ILE 6 2HG2 ILE 6 -9.212 5.355 6.459
45 3HG2 ILE 6 3HG2 ILE 6 -9.981 6.021 5.018
46 1HD1 ILE 6 1HD1 ILE 6 -6.101 4.028 7.305
47 2HD1 ILE 6 2HD1 ILE 6 -7.652 4.840 7.521
48 3HD1 ILE 6 3HD1 ILE 6 -6.240 5.760 7.001
49 H CYS 7 H CYS 7 -6.855 3.423 2.435
50 HA CYS 7 HA CYS 7 -5.140 3.235 0.968
51 1HB CYS 7 2HB CYS 7 -6.346 5.803 -0.033
52 2HB CYS 7 1HB CYS 7 -4.930 5.082 -0.789
53 H ILE 8 H ILE 8 -4.358 4.000 3.418
54 HA ILE 8 HA ILE 8 -2.880 6.358 3.653
55 HB ILE 8 HB ILE 8 -1.565 5.170 5.387
56 1HG1 ILE 8 2HG1 ILE 8 -3.218 2.779 4.536
57 2HG1 ILE 8 1HG1 ILE 8 -1.485 2.968 4.285
58 1HG2 ILE 8 1HG2 ILE 8 -3.231 5.415 6.870
59 2HG2 ILE 8 2HG2 ILE 8 -4.296 4.299 6.016
60 3HG2 ILE 8 3HG2 ILE 8 -4.150 5.970 5.470
61 1HD1 ILE 8 1HD1 ILE 8 -2.884 1.941 6.550
62 2HD1 ILE 8 2HD1 ILE 8 -1.933 3.346 7.030
63 3HD1 ILE 8 3HD1 ILE 8 -1.149 1.982 6.233
64 H PHE 9 H PHE 9 -0.866 6.971 3.057
65 HA PHE 9 HA PHE 9 0.410 5.698 0.892
66 1HB PHE 9 2HB PHE 9 0.656 8.077 1.233
67 2HB PHE 9 1HB PHE 9 1.385 7.821 2.813
68 HD1 PHE 9 1HD PHE 9 2.048 6.336 -0.551
69 HD2 PHE 9 2HD PHE 9 3.563 8.514 2.776
70 HE1 PHE 9 1HE PHE 9 4.285 6.342 -1.576
71 HE2 PHE 9 2HE PHE 9 5.800 8.524 1.755
72 HZ PHE 9 HZ PHE 9 6.163 7.439 -0.423
73 H CYS 10 H CYS 10 2.051 4.238 0.778
74 HA CYS 10 HA CYS 10 3.612 3.631 3.149
75 1HB CYS 10 2HB CYS 10 2.869 1.522 3.559
76 2HB CYS 10 1HB CYS 10 1.385 2.149 2.857
77 H CYS 11 H CYS 11 5.623 2.810 2.688
78 HA CYS 11 HA CYS 11 6.204 2.235 -0.135
79 1HB CYS 11 2HB CYS 11 6.830 4.553 0.277
80 2HB CYS 11 1HB CYS 11 7.786 4.070 1.674
81 H GLY 12 H GLY 12 7.261 0.389 -0.396
82 1HA GLY 12 2HA GLY 12 8.263 -1.062 1.877
83 2HA GLY 12 1HA GLY 12 8.325 -1.581 0.195
84 H CYS 13 H CYS 13 10.158 -0.772 2.755
85 HA CYS 13 HA CYS 13 12.229 0.837 1.647
86 1HB CYS 13 2HB CYS 13 13.456 0.329 3.650
87 2HB CYS 13 1HB CYS 13 11.769 0.509 4.113
88 H CYS 14 H CYS 14 11.948 -2.530 2.431
89 HA CYS 14 HA CYS 14 14.327 -3.110 0.837
90 1HB CYS 14 2HB CYS 14 13.327 -4.669 3.197
91 2HB CYS 14 1HB CYS 14 14.977 -4.517 2.583
92 H HIS 15 H HIS 15 11.241 -4.532 1.971
93 HA HIS 15 HA HIS 15 11.328 -6.792 0.281
94 1HB HIS 15 2HB HIS 15 8.900 -5.312 1.340
95 2HB HIS 15 1HB HIS 15 8.891 -6.935 0.662
96 HD1 HIS 15 1HD HIS 15 7.760 -7.033 3.276
97 HD2 HIS 15 2HD HIS 15 11.892 -6.930 2.840
98 HE1 HIS 15 1HE HIS 15 8.686 -7.934 5.433
99 HE2 HIS 15 2HE HIS 15 11.189 -7.877 5.142
100 H ARG 16 H ARG 16 8.789 -4.399 -0.153
101 HA ARG 16 HA ARG 16 9.268 -4.454 -3.030
102 1HB ARG 16 2HB ARG 16 7.078 -3.423 -3.275
103 2HB ARG 16 1HB ARG 16 6.957 -4.837 -2.247
104 1HG ARG 16 2HG ARG 16 7.106 -2.024 -1.194
105 2HG ARG 16 1HG ARG 16 5.598 -2.869 -1.531
106 1HD ARG 16 2HD ARG 16 6.261 -4.624 0.070
107 2HD ARG 16 1HD ARG 16 7.723 -3.709 0.436
108 HE ARG 16 HE ARG 16 5.478 -2.060 0.810
109 1HH1 ARG 16 1HH1 ARG 16 7.069 -4.806 2.245
110 2HH1 ARG 16 2HH1 ARG 16 6.483 -4.475 3.840
111 1HH2 ARG 16 1HH2 ARG 16 4.703 -1.614 2.905
112 2HH2 ARG 16 2HH2 ARG 16 5.139 -2.658 4.216
113 H SER 17 H SER 17 11.156 -3.218 -3.068
114 HA SER 17 HA SER 17 11.563 -0.753 -1.824
115 1HB SER 17 2HB SER 17 12.854 -1.875 -4.313
116 2HB SER 17 1HB SER 17 13.456 -0.496 -3.394
117 HG SER 17 HG SER 17 13.717 -1.885 -1.611
118 H LYS 18 H LYS 18 9.233 -0.054 -2.520
119 HA LYS 18 HA LYS 18 9.644 2.036 -4.478
120 1HB LYS 18 2HB LYS 18 7.580 1.573 -5.751
121 2HB LYS 18 1HB LYS 18 8.810 0.338 -5.962
122 1HG LYS 18 2HG LYS 18 6.666 -0.036 -3.923
123 2HG LYS 18 1HG LYS 18 6.327 -0.329 -5.628
124 1HD LYS 18 2HD LYS 18 8.629 -1.595 -4.159
125 2HD LYS 18 1HD LYS 18 7.038 -2.343 -4.292
126 1HE LYS 18 2HE LYS 18 8.456 -3.258 -5.996
127 2HE LYS 18 1HE LYS 18 7.251 -2.228 -6.764
128 1HZ LYS 18 1HZ LYS 18 9.845 -1.060 -6.060
129 2HZ LYS 18 2HZ LYS 18 8.806 -0.682 -7.339
130 3HZ LYS 18 3HZ LYS 18 9.762 -2.074 -7.411
131 H CYS 19 H CYS 19 8.454 3.854 -4.128
132 HA CYS 19 HA CYS 19 6.789 3.835 -1.712
133 1HB CYS 19 2HB CYS 19 8.155 6.093 -3.185
134 2HB CYS 19 1HB CYS 19 7.078 6.330 -1.814
135 H GLY 20 H GLY 20 4.641 4.268 -1.766
136 1HA GLY 20 2HA GLY 20 3.328 5.864 -3.655
137 2HA GLY 20 1HA GLY 20 3.257 4.207 -4.232
138 H MET 21 H MET 21 1.034 5.874 -3.471
139 HA MET 21 HA MET 21 0.044 5.381 -0.913
140 1HB MET 21 2HB MET 21 -1.483 5.655 -3.512
141 2HB MET 21 1HB MET 21 -2.204 5.745 -1.910
142 1HG MET 21 2HG MET 21 -0.870 7.717 -1.407
143 2HG MET 21 1HG MET 21 -0.114 7.621 -2.996
144 1HE MET 21 1HE MET 21 -3.352 7.938 -1.022
145 2HE MET 21 2HE MET 21 -4.090 7.005 -2.324
146 3HE MET 21 3HE MET 21 -4.492 8.711 -2.124
147 H CYS 22 H CYS 22 -0.966 3.678 0.051
148 HA CYS 22 HA CYS 22 -1.324 1.250 -1.584
149 1HB CYS 22 2HB CYS 22 -0.504 1.322 1.325
150 2HB CYS 22 1HB CYS 22 -0.521 -0.077 0.251
151 H CYS 23 H CYS 23 -3.253 0.230 -1.458
152 HA CYS 23 HA CYS 23 -5.147 1.174 0.599
153 1HB CYS 23 2HB CYS 23 -5.891 0.190 -2.157
154 2HB CYS 23 1HB CYS 23 -6.942 0.960 -0.977
155 H LYS 24 H LYS 24 -4.772 -1.545 -1.696
156 HA LYS 24 HA LYS 24 -6.350 -3.365 -0.294
157 1HB LYS 24 2HB LYS 24 -3.957 -4.244 -1.885
158 2HB LYS 24 1HB LYS 24 -5.527 -5.027 -1.732
159 1HG LYS 24 2HG LYS 24 -6.558 -3.315 -3.082
160 2HG LYS 24 1HG LYS 24 -5.035 -2.427 -3.169
161 1HD LYS 24 2HD LYS 24 -5.510 -5.207 -4.247
162 2HD LYS 24 1HD LYS 24 -5.458 -3.729 -5.210
163 1HE LYS 24 2HE LYS 24 -3.139 -3.365 -4.540
164 2HE LYS 24 1HE LYS 24 -3.190 -4.816 -3.542
165 1HZ LYS 24 1HZ LYS 24 -3.246 -6.185 -5.387
166 2HZ LYS 24 2HZ LYS 24 -2.184 -4.964 -5.882
167 3HZ LYS 24 3HZ LYS 24 -3.785 -4.963 -6.426
168 H THR 25 H THR 25 -2.814 -2.966 -0.231
169 HA THR 25 HA THR 25 -2.338 -4.978 1.691
170 HB THR 25 HB THR 25 -0.649 -2.549 1.058
171 HG1 THR 25 1HG THR 25 0.405 -3.971 -0.370
172 1HG2 THR 25 1HG2 THR 25 0.564 -3.250 2.810
173 2HG2 THR 25 2HG2 THR 25 1.023 -4.614 1.790
174 3HG2 THR 25 3HG2 THR 25 -0.322 -4.771 2.920
Start of MODEL 8
1 1H ASP 1 1HT ASP 1 -7.703 -6.828 1.809
2 2H ASP 1 2HT ASP 1 -6.606 -5.590 2.164
3 3H ASP 1 3HT ASP 1 -7.374 -5.633 0.657
4 HA ASP 1 HA ASP 1 -8.869 -5.371 3.192
5 1HB ASP 1 2HB ASP 1 -7.804 -3.186 1.382
6 2HB ASP 1 1HB ASP 1 -8.911 -2.933 2.728
7 H THR 2 H THR 2 -10.185 -3.101 1.564
8 HA THR 2 HA THR 2 -11.960 -4.869 0.019
9 HB THR 2 HB THR 2 -13.711 -3.154 0.352
10 HG1 THR 2 1HG THR 2 -13.229 -1.524 1.981
11 1HG2 THR 2 1HG2 THR 2 -14.229 -3.720 2.597
12 2HG2 THR 2 2HG2 THR 2 -12.529 -3.932 3.012
13 3HG2 THR 2 3HG2 THR 2 -13.328 -5.088 1.947
14 H HIS 3 H HIS 3 -13.339 -2.566 -1.154
15 HA HIS 3 HA HIS 3 -11.588 -2.190 -3.419
16 1HB HIS 3 2HB HIS 3 -14.402 -1.198 -2.920
17 2HB HIS 3 1HB HIS 3 -13.536 -1.070 -4.446
18 HD1 HIS 3 1HD HIS 3 -15.951 -2.469 -4.947
19 HD2 HIS 3 2HD HIS 3 -12.750 -4.497 -3.241
20 HE1 HIS 3 1HE HIS 3 -16.387 -4.906 -5.386
21 HE2 HIS 3 2HE HIS 3 -14.438 -6.115 -4.346
22 H PHE 4 H PHE 4 -13.087 -0.166 -0.932
23 HA PHE 4 HA PHE 4 -11.188 1.961 -1.633
24 1HB PHE 4 2HB PHE 4 -13.080 3.560 -0.904
25 2HB PHE 4 1HB PHE 4 -13.166 2.831 -2.502
26 HD1 PHE 4 1HD PHE 4 -14.079 1.389 0.821
27 HD2 PHE 4 2HD PHE 4 -15.411 2.711 -2.999
28 HE1 PHE 4 1HE PHE 4 -16.335 0.541 1.316
29 HE2 PHE 4 2HE PHE 4 -17.668 1.865 -2.509
30 HZ PHE 4 HZ PHE 4 -18.132 0.780 -0.349
31 HA PRO 5 HA PRO 5 -11.213 0.921 2.975
32 1HB PRO 5 2HB PRO 5 -8.665 0.044 3.190
33 2HB PRO 5 1HB PRO 5 -10.004 -1.030 2.764
34 1HG PRO 5 2HG PRO 5 -7.994 0.291 0.981
35 2HG PRO 5 1HG PRO 5 -8.586 -1.380 0.951
36 1HD PRO 5 2HD PRO 5 -9.517 0.527 -0.735
37 2HD PRO 5 1HD PRO 5 -10.531 -0.806 -0.147
38 H ILE 6 H ILE 6 -8.301 1.320 3.797
39 HA ILE 6 HA ILE 6 -8.463 4.153 4.147
40 HB ILE 6 HB ILE 6 -6.254 2.252 4.930
41 1HG1 ILE 6 2HG1 ILE 6 -8.398 1.573 5.886
42 2HG1 ILE 6 1HG1 ILE 6 -7.322 2.172 7.126
43 1HG2 ILE 6 1HG2 ILE 6 -6.495 5.051 5.060
44 2HG2 ILE 6 2HG2 ILE 6 -5.216 4.024 5.710
45 3HG2 ILE 6 3HG2 ILE 6 -6.623 4.416 6.698
46 1HD1 ILE 6 1HD1 ILE 6 -8.809 3.683 7.752
47 2HD1 ILE 6 2HD1 ILE 6 -9.955 2.941 6.636
48 3HD1 ILE 6 3HD1 ILE 6 -8.958 4.297 6.106
49 H CYS 7 H CYS 7 -6.473 1.899 2.309
50 HA CYS 7 HA CYS 7 -5.018 2.177 0.600
51 1HB CYS 7 2HB CYS 7 -6.663 4.635 0.417
52 2HB CYS 7 1HB CYS 7 -5.137 4.630 -0.462
53 H ILE 8 H ILE 8 -3.933 2.360 3.029
54 HA ILE 8 HA ILE 8 -2.476 4.679 3.625
55 HB ILE 8 HB ILE 8 -1.024 3.230 4.984
56 1HG1 ILE 8 2HG1 ILE 8 -2.620 0.961 3.768
57 2HG1 ILE 8 1HG1 ILE 8 -0.930 1.311 3.427
58 1HG2 ILE 8 1HG2 ILE 8 -2.999 3.935 6.049
59 2HG2 ILE 8 2HG2 ILE 8 -2.888 2.204 6.367
60 3HG2 ILE 8 3HG2 ILE 8 -3.993 2.804 5.131
61 1HD1 ILE 8 1HD1 ILE 8 -1.480 1.006 6.267
62 2HD1 ILE 8 2HD1 ILE 8 -0.239 0.260 5.260
63 3HD1 ILE 8 3HD1 ILE 8 -1.861 -0.431 5.317
64 H PHE 9 H PHE 9 -0.624 5.514 2.905
65 HA PHE 9 HA PHE 9 0.605 4.410 0.535
66 1HB PHE 9 2HB PHE 9 0.283 6.814 0.675
67 2HB PHE 9 1HB PHE 9 1.190 6.885 2.180
68 HD1 PHE 9 1HD PHE 9 3.119 8.064 1.852
69 HD2 PHE 9 2HD PHE 9 1.892 5.281 -1.122
70 HE1 PHE 9 1HE PHE 9 5.182 8.511 0.590
71 HE2 PHE 9 2HE PHE 9 3.956 5.720 -2.388
72 HZ PHE 9 HZ PHE 9 5.603 7.337 -1.532
73 H CYS 10 H CYS 10 2.548 3.337 0.419
74 HA CYS 10 HA CYS 10 4.277 3.360 2.765
75 1HB CYS 10 2HB CYS 10 4.262 1.082 3.201
76 2HB CYS 10 1HB CYS 10 2.569 1.408 2.859
77 H CYS 11 H CYS 11 6.404 3.056 2.346
78 HA CYS 11 HA CYS 11 7.138 2.543 -0.460
79 1HB CYS 11 2HB CYS 11 7.409 4.919 0.066
80 2HB CYS 11 1HB CYS 11 8.410 4.511 1.455
81 H GLY 12 H GLY 12 8.408 0.823 -0.705
82 1HA GLY 12 2HA GLY 12 9.381 -0.703 1.441
83 2HA GLY 12 1HA GLY 12 9.891 -0.868 -0.235
84 H CYS 13 H CYS 13 10.840 -0.090 2.833
85 HA CYS 13 HA CYS 13 12.756 1.947 2.472
86 1HB CYS 13 2HB CYS 13 12.347 1.683 4.710
87 2HB CYS 13 1HB CYS 13 12.112 -0.057 4.568
88 H CYS 14 H CYS 14 13.450 -1.254 3.480
89 HA CYS 14 HA CYS 14 16.064 -1.147 2.256
90 1HB CYS 14 2HB CYS 14 15.528 -3.354 4.038
91 2HB CYS 14 1HB CYS 14 16.663 -2.016 4.222
92 H HIS 15 H HIS 15 13.275 -3.367 2.482
93 HA HIS 15 HA HIS 15 14.366 -5.404 0.873
94 1HB HIS 15 2HB HIS 15 11.464 -4.602 1.227
95 2HB HIS 15 1HB HIS 15 12.018 -6.118 0.522
96 HD1 HIS 15 1HD HIS 15 13.839 -7.361 2.367
97 HD2 HIS 15 2HD HIS 15 10.737 -4.990 3.789
98 HE1 HIS 15 1HE HIS 15 13.492 -8.070 4.754
99 HE2 HIS 15 2HE HIS 15 11.545 -6.691 5.563
100 H ARG 16 H ARG 16 11.518 -3.780 -0.340
101 HA ARG 16 HA ARG 16 12.827 -3.456 -2.925
102 1HB ARG 16 2HB ARG 16 10.539 -2.916 -3.760
103 2HB ARG 16 1HB ARG 16 10.666 -4.514 -3.043
104 1HG ARG 16 2HG ARG 16 9.657 -2.159 -1.482
105 2HG ARG 16 1HG ARG 16 8.597 -3.126 -2.508
106 1HD ARG 16 2HD ARG 16 9.190 -5.128 -1.243
107 2HD ARG 16 1HD ARG 16 10.276 -4.178 -0.232
108 HE ARG 16 HE ARG 16 7.684 -3.077 -0.133
109 1HH1 ARG 16 1HH1 ARG 16 9.503 -5.842 0.956
110 2HH1 ARG 16 2HH1 ARG 16 8.509 -6.107 2.352
111 1HH2 ARG 16 1HH2 ARG 16 6.372 -3.418 1.703
112 2HH2 ARG 16 2HH2 ARG 16 6.728 -4.734 2.773
113 H SER 17 H SER 17 14.007 -1.630 -2.985
114 HA SER 17 HA SER 17 13.400 0.728 -1.534
115 1HB SER 17 2HB SER 17 15.254 1.737 -2.822
116 2HB SER 17 1HB SER 17 15.702 0.168 -2.153
117 HG SER 17 HG SER 17 15.316 0.935 -4.797
118 H LYS 18 H LYS 18 11.106 0.686 -2.390
119 HA LYS 18 HA LYS 18 10.940 2.646 -4.550
120 1HB LYS 18 2HB LYS 18 9.213 1.395 -5.763
121 2HB LYS 18 1HB LYS 18 10.744 0.534 -5.731
122 1HG LYS 18 2HG LYS 18 9.894 -0.884 -3.915
123 2HG LYS 18 1HG LYS 18 8.348 -0.036 -3.996
124 1HD LYS 18 2HD LYS 18 8.094 -0.766 -6.334
125 2HD LYS 18 1HD LYS 18 9.618 -1.646 -6.213
126 1HE LYS 18 2HE LYS 18 7.733 -3.153 -5.914
127 2HE LYS 18 1HE LYS 18 8.673 -3.029 -4.427
128 1HZ LYS 18 1HZ LYS 18 6.185 -1.501 -4.962
129 2HZ LYS 18 2HZ LYS 18 7.044 -1.561 -3.505
130 3HZ LYS 18 3HZ LYS 18 6.248 -2.940 -4.074
131 H CYS 19 H CYS 19 9.296 4.071 -4.369
132 HA CYS 19 HA CYS 19 7.546 3.787 -2.026
133 1HB CYS 19 2HB CYS 19 8.290 6.222 -3.662
134 2HB CYS 19 1HB CYS 19 7.161 6.238 -2.313
135 H GLY 20 H GLY 20 5.328 3.784 -2.194
136 1HA GLY 20 2HA GLY 20 3.893 4.673 -4.460
137 2HA GLY 20 1HA GLY 20 4.156 2.943 -4.599
138 H MET 21 H MET 21 1.621 4.220 -4.401
139 HA MET 21 HA MET 21 0.527 4.191 -1.818
140 1HB MET 21 2HB MET 21 -0.787 3.639 -4.487
141 2HB MET 21 1HB MET 21 -1.667 3.862 -2.982
142 1HG MET 21 2HG MET 21 -1.733 5.907 -4.195
143 2HG MET 21 1HG MET 21 -0.677 6.130 -2.804
144 1HE MET 21 1HE MET 21 -0.338 5.943 -7.051
145 2HE MET 21 2HE MET 21 -0.518 4.466 -6.104
146 3HE MET 21 3HE MET 21 1.054 4.895 -6.777
147 H CYS 22 H CYS 22 -0.522 2.608 -0.627
148 HA CYS 22 HA CYS 22 -0.333 -0.143 -1.646
149 1HB CYS 22 2HB CYS 22 0.443 0.568 1.174
150 2HB CYS 22 1HB CYS 22 0.728 -0.939 0.309
151 H CYS 23 H CYS 23 -2.682 0.509 -1.925
152 HA CYS 23 HA CYS 23 -4.369 0.825 0.307
153 1HB CYS 23 2HB CYS 23 -5.023 -0.234 -2.451
154 2HB CYS 23 1HB CYS 23 -6.208 0.276 -1.254
155 H LYS 24 H LYS 24 -5.753 -1.676 -1.395
156 HA LYS 24 HA LYS 24 -6.075 -3.383 0.740
157 1HB LYS 24 2HB LYS 24 -6.954 -4.960 -0.799
158 2HB LYS 24 1HB LYS 24 -7.332 -3.376 -1.458
159 1HG LYS 24 2HG LYS 24 -5.149 -5.240 -2.360
160 2HG LYS 24 1HG LYS 24 -6.624 -4.827 -3.228
161 1HD LYS 24 2HD LYS 24 -4.606 -2.738 -2.461
162 2HD LYS 24 1HD LYS 24 -4.442 -3.680 -3.940
163 1HE LYS 24 2HE LYS 24 -5.536 -1.492 -4.288
164 2HE LYS 24 1HE LYS 24 -6.546 -2.855 -4.761
165 1HZ LYS 24 1HZ LYS 24 -6.785 -1.548 -2.115
166 2HZ LYS 24 2HZ LYS 24 -7.884 -2.591 -2.864
167 3HZ LYS 24 3HZ LYS 24 -7.660 -1.026 -3.464
168 H THR 25 H THR 25 -5.055 -5.194 1.505
169 HA THR 25 HA THR 25 -2.260 -5.341 1.290
170 HB THR 25 HB THR 25 -2.452 -7.486 2.519
171 HG1 THR 25 1HG THR 25 -4.454 -8.152 1.498
172 1HG2 THR 25 1HG2 THR 25 -4.112 -6.378 4.343
173 2HG2 THR 25 2HG2 THR 25 -3.722 -4.963 3.365
174 3HG2 THR 25 3HG2 THR 25 -2.430 -5.893 4.125
Start of MODEL 9
1 1H ASP 1 1HT ASP 1 -7.945 -4.876 -3.583
2 2H ASP 1 2HT ASP 1 -9.352 -3.987 -3.281
3 3H ASP 1 3HT ASP 1 -8.239 -3.441 -4.432
4 HA ASP 1 HA ASP 1 -8.899 -4.888 -6.014
5 1HB ASP 1 2HB ASP 1 -8.284 -6.837 -4.638
6 2HB ASP 1 1HB ASP 1 -9.809 -6.705 -3.766
7 H THR 2 H THR 2 -11.079 -4.724 -3.195
8 HA THR 2 HA THR 2 -13.141 -3.622 -4.979
9 HB THR 2 HB THR 2 -13.652 -5.802 -2.946
10 HG1 THR 2 1HG THR 2 -13.278 -5.766 -5.709
11 1HG2 THR 2 1HG2 THR 2 -15.900 -5.529 -3.240
12 2HG2 THR 2 2HG2 THR 2 -15.720 -4.899 -4.878
13 3HG2 THR 2 3HG2 THR 2 -15.394 -3.858 -3.492
14 H HIS 3 H HIS 3 -12.831 -4.514 -1.543
15 HA HIS 3 HA HIS 3 -14.198 -2.128 -0.712
16 1HB HIS 3 2HB HIS 3 -14.463 -4.272 0.488
17 2HB HIS 3 1HB HIS 3 -12.764 -4.217 0.944
18 HD1 HIS 3 1HD HIS 3 -15.699 -1.797 1.282
19 HD2 HIS 3 2HD HIS 3 -12.531 -3.347 3.480
20 HE1 HIS 3 1HE HIS 3 -15.871 -0.732 3.554
21 HE2 HIS 3 2HE HIS 3 -13.901 -1.628 4.843
22 H PHE 4 H PHE 4 -12.433 -0.854 -1.944
23 HA PHE 4 HA PHE 4 -9.846 -0.576 -1.035
24 1HB PHE 4 2HB PHE 4 -10.036 1.816 -1.895
25 2HB PHE 4 1HB PHE 4 -10.409 0.534 -3.039
26 HD1 PHE 4 1HD PHE 4 -11.984 3.002 -0.749
27 HD2 PHE 4 2HD PHE 4 -12.449 0.489 -4.153
28 HE1 PHE 4 1HE PHE 4 -14.162 4.045 -1.219
29 HE2 PHE 4 2HE PHE 4 -14.626 1.529 -4.629
30 HZ PHE 4 HZ PHE 4 -15.486 3.310 -3.162
31 HA PRO 5 HA PRO 5 -10.595 1.193 2.991
32 1HB PRO 5 2HB PRO 5 -8.158 0.815 3.983
33 2HB PRO 5 1HB PRO 5 -9.197 -0.565 3.607
34 1HG PRO 5 2HG PRO 5 -6.883 0.538 2.080
35 2HG PRO 5 1HG PRO 5 -7.360 -1.150 2.333
36 1HD PRO 5 2HD PRO 5 -7.921 0.393 0.066
37 2HD PRO 5 1HD PRO 5 -8.708 -1.135 0.506
38 H ILE 6 H ILE 6 -8.193 2.357 4.213
39 HA ILE 6 HA ILE 6 -8.490 5.043 3.264
40 HB ILE 6 HB ILE 6 -6.711 5.549 4.977
41 1HG1 ILE 6 2HG1 ILE 6 -7.015 2.586 5.525
42 2HG1 ILE 6 1HG1 ILE 6 -5.555 3.406 4.980
43 1HG2 ILE 6 1HG2 ILE 6 -8.855 3.977 6.321
44 2HG2 ILE 6 2HG2 ILE 6 -9.312 5.331 5.288
45 3HG2 ILE 6 3HG2 ILE 6 -8.252 5.597 6.672
46 1HD1 ILE 6 1HD1 ILE 6 -6.906 3.682 7.652
47 2HD1 ILE 6 2HD1 ILE 6 -5.552 4.677 7.115
48 3HD1 ILE 6 3HD1 ILE 6 -5.347 2.936 7.308
49 H CYS 7 H CYS 7 -6.270 2.430 2.859
50 HA CYS 7 HA CYS 7 -4.447 2.098 1.563
51 1HB CYS 7 2HB CYS 7 -6.105 2.866 -0.160
52 2HB CYS 7 1HB CYS 7 -5.426 4.484 -0.009
53 H ILE 8 H ILE 8 -3.745 3.317 3.806
54 HA ILE 8 HA ILE 8 -2.550 5.797 3.780
55 HB ILE 8 HB ILE 8 -0.971 4.937 5.491
56 1HG1 ILE 8 2HG1 ILE 8 -2.303 2.276 4.932
57 2HG1 ILE 8 1HG1 ILE 8 -0.642 2.690 4.517
58 1HG2 ILE 8 1HG2 ILE 8 -3.677 5.300 5.664
59 2HG2 ILE 8 2HG2 ILE 8 -2.577 5.116 7.031
60 3HG2 ILE 8 3HG2 ILE 8 -3.455 3.718 6.410
61 1HD1 ILE 8 1HD1 ILE 8 -1.409 3.023 7.345
62 2HD1 ILE 8 2HD1 ILE 8 0.089 2.426 6.633
63 3HD1 ILE 8 3HD1 ILE 8 -1.322 1.372 6.736
64 H PHE 9 H PHE 9 -0.600 6.641 3.176
65 HA PHE 9 HA PHE 9 0.668 5.558 0.914
66 1HB PHE 9 2HB PHE 9 0.639 7.974 1.444
67 2HB PHE 9 1HB PHE 9 1.716 7.676 2.804
68 HD1 PHE 9 1HD PHE 9 1.702 6.536 -0.760
69 HD2 PHE 9 2HD PHE 9 3.803 8.509 2.377
70 HE1 PHE 9 1HE PHE 9 3.650 6.805 -2.236
71 HE2 PHE 9 2HE PHE 9 5.754 8.781 0.901
72 HZ PHE 9 HZ PHE 9 5.679 7.929 -1.407
73 H CYS 10 H CYS 10 2.682 4.646 0.627
74 HA CYS 10 HA CYS 10 4.245 3.838 2.944
75 1HB CYS 10 2HB CYS 10 4.231 1.449 2.187
76 2HB CYS 10 1HB CYS 10 2.676 2.011 2.795
77 H CYS 11 H CYS 11 6.385 3.878 2.465
78 HA CYS 11 HA CYS 11 7.177 3.650 -0.355
79 1HB CYS 11 2HB CYS 11 7.018 6.038 0.210
80 2HB CYS 11 1HB CYS 11 8.127 5.795 1.553
81 H GLY 12 H GLY 12 8.371 1.857 -0.377
82 1HA GLY 12 2HA GLY 12 10.091 1.164 1.860
83 2HA GLY 12 1HA GLY 12 9.817 0.199 0.414
84 H CYS 13 H CYS 13 11.993 2.059 2.044
85 HA CYS 13 HA CYS 13 13.370 3.561 0.177
86 1HB CYS 13 2HB CYS 13 14.081 3.928 2.353
87 2HB CYS 13 1HB CYS 13 14.181 2.209 2.721
88 H CYS 14 H CYS 14 14.927 0.833 1.554
89 HA CYS 14 HA CYS 14 16.247 0.297 -0.984
90 1HB CYS 14 2HB CYS 14 17.593 -0.834 1.224
91 2HB CYS 14 1HB CYS 14 18.040 0.598 0.296
92 H HIS 15 H HIS 15 15.487 -1.638 1.955
93 HA HIS 15 HA HIS 15 15.741 -4.126 0.764
94 1HB HIS 15 2HB HIS 15 15.373 -3.639 3.230
95 2HB HIS 15 1HB HIS 15 13.661 -3.464 2.863
96 HD1 HIS 15 1HD HIS 15 16.202 -6.137 1.899
97 HD2 HIS 15 2HD HIS 15 12.464 -5.745 3.672
98 HE1 HIS 15 1HE HIS 15 15.451 -8.483 2.410
99 HE2 HIS 15 2HE HIS 15 13.160 -8.224 3.425
100 H ARG 16 H ARG 16 12.724 -2.356 1.333
101 HA ARG 16 HA ARG 16 11.401 -3.833 -0.813
102 1HB ARG 16 2HB ARG 16 10.501 -2.140 1.468
103 2HB ARG 16 1HB ARG 16 9.491 -2.163 0.032
104 1HG ARG 16 2HG ARG 16 8.759 -3.779 1.704
105 2HG ARG 16 1HG ARG 16 9.248 -4.556 0.198
106 1HD ARG 16 2HD ARG 16 11.137 -4.256 2.513
107 2HD ARG 16 1HD ARG 16 10.023 -5.618 2.398
108 HE ARG 16 HE ARG 16 12.466 -5.347 1.037
109 1HH1 ARG 16 1HH1 ARG 16 9.183 -6.386 0.486
110 2HH1 ARG 16 2HH1 ARG 16 9.610 -7.488 -0.780
111 1HH2 ARG 16 1HH2 ARG 16 13.034 -6.795 -0.628
112 2HH2 ARG 16 2HH2 ARG 16 11.797 -7.721 -1.412
113 H SER 17 H SER 17 12.734 -2.822 -2.493
114 HA SER 17 HA SER 17 12.795 -0.013 -2.874
115 1HB SER 17 2HB SER 17 13.262 -2.256 -4.853
116 2HB SER 17 1HB SER 17 13.647 -0.559 -5.141
117 HG SER 17 HG SER 17 15.257 -2.254 -4.143
118 H LYS 18 H LYS 18 10.269 -0.154 -2.376
119 HA LYS 18 HA LYS 18 8.991 0.427 -4.922
120 1HB LYS 18 2HB LYS 18 6.997 -0.983 -4.284
121 2HB LYS 18 1HB LYS 18 8.435 -1.877 -4.758
122 1HG LYS 18 2HG LYS 18 8.974 -2.154 -2.341
123 2HG LYS 18 1HG LYS 18 7.416 -1.421 -1.966
124 1HD LYS 18 2HD LYS 18 7.169 -3.799 -1.863
125 2HD LYS 18 1HD LYS 18 6.324 -3.223 -3.300
126 1HE LYS 18 2HE LYS 18 9.117 -4.361 -3.308
127 2HE LYS 18 1HE LYS 18 7.666 -5.301 -3.646
128 1HZ LYS 18 1HZ LYS 18 8.245 -4.727 -5.745
129 2HZ LYS 18 2HZ LYS 18 8.998 -3.283 -5.285
130 3HZ LYS 18 3HZ LYS 18 7.312 -3.365 -5.379
131 H CYS 19 H CYS 19 7.933 2.297 -4.709
132 HA CYS 19 HA CYS 19 6.759 2.911 -2.085
133 1HB CYS 19 2HB CYS 19 8.294 4.779 -3.891
134 2HB CYS 19 1HB CYS 19 7.328 5.318 -2.519
135 H GLY 20 H GLY 20 4.719 3.516 -2.071
136 1HA GLY 20 2HA GLY 20 3.382 5.048 -3.977
137 2HA GLY 20 1HA GLY 20 3.100 3.359 -4.374
138 H MET 21 H MET 21 0.856 3.658 -3.928
139 HA MET 21 HA MET 21 0.151 4.185 -1.138
140 1HB MET 21 2HB MET 21 -1.629 3.845 -3.559
141 2HB MET 21 1HB MET 21 -2.159 4.320 -1.952
142 1HG MET 21 2HG MET 21 -0.819 6.357 -2.113
143 2HG MET 21 1HG MET 21 -0.299 5.882 -3.729
144 1HE MET 21 1HE MET 21 -3.409 5.671 -1.703
145 2HE MET 21 2HE MET 21 -4.704 6.275 -2.735
146 3HE MET 21 3HE MET 21 -3.731 7.402 -1.789
147 H CYS 22 H CYS 22 -0.329 2.591 0.243
148 HA CYS 22 HA CYS 22 -0.518 -0.133 -0.792
149 1HB CYS 22 2HB CYS 22 -0.011 1.008 1.943
150 2HB CYS 22 1HB CYS 22 -0.434 -0.686 1.729
151 H CYS 23 H CYS 23 -2.703 0.302 -1.672
152 HA CYS 23 HA CYS 23 -4.876 0.766 0.118
153 1HB CYS 23 2HB CYS 23 -4.892 -0.331 -2.704
154 2HB CYS 23 1HB CYS 23 -6.306 0.220 -1.812
155 H LYS 24 H LYS 24 -6.040 -1.672 -1.720
156 HA LYS 24 HA LYS 24 -6.352 -3.449 0.462
157 1HB LYS 24 2HB LYS 24 -6.951 -3.722 -2.474
158 2HB LYS 24 1HB LYS 24 -7.305 -4.988 -1.308
159 1HG LYS 24 2HG LYS 24 -8.352 -2.210 -0.922
160 2HG LYS 24 1HG LYS 24 -9.174 -3.354 -1.981
161 1HD LYS 24 2HD LYS 24 -10.228 -3.529 0.133
162 2HD LYS 24 1HD LYS 24 -9.208 -4.957 -0.029
163 1HE LYS 24 2HE LYS 24 -7.496 -3.887 1.355
164 2HE LYS 24 1HE LYS 24 -8.514 -2.455 1.508
165 1HZ LYS 24 1HZ LYS 24 -8.860 -3.694 3.448
166 2HZ LYS 24 2HZ LYS 24 -8.991 -5.159 2.611
167 3HZ LYS 24 3HZ LYS 24 -10.224 -4.006 2.497
168 H THR 25 H THR 25 -5.293 -5.277 1.015
169 HA THR 25 HA THR 25 -2.643 -5.670 0.160
170 HB THR 25 HB THR 25 -3.350 -6.386 2.368
171 HG1 THR 25 1HG THR 25 -2.388 -8.474 2.307
172 1HG2 THR 25 1HG2 THR 25 -5.591 -7.077 2.074
173 2HG2 THR 25 2HG2 THR 25 -4.707 -8.533 2.528
174 3HG2 THR 25 3HG2 THR 25 -5.148 -8.260 0.843
Start of MODEL 10
1 1H ASP 1 1HT ASP 1 -8.650 -6.566 2.298
2 2H ASP 1 2HT ASP 1 -6.963 -6.524 2.191
3 3H ASP 1 3HT ASP 1 -7.784 -7.992 2.011
4 HA ASP 1 HA ASP 1 -7.085 -6.128 0.041
5 1HB ASP 1 2HB ASP 1 -8.671 -8.709 -0.023
6 2HB ASP 1 1HB ASP 1 -7.949 -7.932 -1.430
7 H THR 2 H THR 2 -9.026 -4.816 1.583
8 HA THR 2 HA THR 2 -11.600 -4.964 0.362
9 HB THR 2 HB THR 2 -11.486 -4.140 2.605
10 HG1 THR 2 1HG THR 2 -12.509 -2.035 2.261
11 1HG2 THR 2 1HG2 THR 2 -9.390 -2.376 1.489
12 2HG2 THR 2 2HG2 THR 2 -9.505 -3.138 3.076
13 3HG2 THR 2 3HG2 THR 2 -10.432 -1.678 2.729
14 H HIS 3 H HIS 3 -12.504 -3.741 -1.210
15 HA HIS 3 HA HIS 3 -10.779 -2.596 -3.155
16 1HB HIS 3 2HB HIS 3 -12.887 -3.779 -3.699
17 2HB HIS 3 1HB HIS 3 -13.795 -2.455 -2.975
18 HD1 HIS 3 1HD HIS 3 -11.099 -2.733 -5.659
19 HD2 HIS 3 2HD HIS 3 -14.677 -0.770 -4.882
20 HE1 HIS 3 1HE HIS 3 -11.556 -1.337 -7.701
21 HE2 HIS 3 2HE HIS 3 -13.699 -0.115 -7.186
22 H PHE 4 H PHE 4 -12.772 -1.242 -0.598
23 HA PHE 4 HA PHE 4 -11.913 1.442 -1.455
24 1HB PHE 4 2HB PHE 4 -14.014 2.197 -0.152
25 2HB PHE 4 1HB PHE 4 -14.217 1.490 -1.749
26 HD1 PHE 4 1HD PHE 4 -16.201 0.356 -1.820
27 HD2 PHE 4 2HD PHE 4 -13.751 -0.039 1.638
28 HE1 PHE 4 1HE PHE 4 -17.770 -1.300 -0.900
29 HE2 PHE 4 2HE PHE 4 -15.315 -1.696 2.561
30 HZ PHE 4 HZ PHE 4 -17.328 -2.329 1.293
31 HA PRO 5 HA PRO 5 -10.360 0.617 2.922
32 1HB PRO 5 2HB PRO 5 -7.711 0.823 2.442
33 2HB PRO 5 1HB PRO 5 -8.585 -0.704 2.264
34 1HG PRO 5 2HG PRO 5 -7.762 1.264 0.165
35 2HG PRO 5 1HG PRO 5 -7.657 -0.507 0.141
36 1HD PRO 5 2HD PRO 5 -9.637 0.875 -1.105
37 2HD PRO 5 1HD PRO 5 -9.869 -0.753 -0.439
38 H ILE 6 H ILE 6 -7.856 2.091 3.301
39 HA ILE 6 HA ILE 6 -8.982 4.778 3.392
40 HB ILE 6 HB ILE 6 -7.025 5.293 4.846
41 1HG1 ILE 6 2HG1 ILE 6 -6.500 2.322 4.583
42 2HG1 ILE 6 1HG1 ILE 6 -5.475 3.608 3.954
43 1HG2 ILE 6 1HG2 ILE 6 -7.924 3.185 6.459
44 2HG2 ILE 6 2HG2 ILE 6 -9.273 3.600 5.402
45 3HG2 ILE 6 3HG2 ILE 6 -8.532 4.840 6.413
46 1HD1 ILE 6 1HD1 ILE 6 -5.956 3.943 6.777
47 2HD1 ILE 6 2HD1 ILE 6 -4.433 3.820 5.896
48 3HD1 ILE 6 3HD1 ILE 6 -5.270 2.358 6.417
49 H CYS 7 H CYS 7 -6.261 3.012 2.039
50 HA CYS 7 HA CYS 7 -4.789 3.479 0.387
51 1HB CYS 7 2HB CYS 7 -6.905 5.515 -0.244
52 2HB CYS 7 1HB CYS 7 -5.435 5.388 -1.202
53 H ILE 8 H ILE 8 -4.051 4.406 2.846
54 HA ILE 8 HA ILE 8 -3.223 7.151 2.713
55 HB ILE 8 HB ILE 8 -1.868 6.615 4.729
56 1HG1 ILE 8 2HG1 ILE 8 -3.074 3.853 4.425
57 2HG1 ILE 8 1HG1 ILE 8 -1.381 4.255 4.154
58 1HG2 ILE 8 1HG2 ILE 8 -4.704 6.593 4.440
59 2HG2 ILE 8 2HG2 ILE 8 -3.730 7.203 5.778
60 3HG2 ILE 8 3HG2 ILE 8 -4.253 5.519 5.765
61 1HD1 ILE 8 1HD1 ILE 8 -0.932 4.456 6.380
62 2HD1 ILE 8 2HD1 ILE 8 -2.205 3.235 6.427
63 3HD1 ILE 8 3HD1 ILE 8 -2.584 4.921 6.786
64 H PHE 9 H PHE 9 -1.338 7.971 1.966
65 HA PHE 9 HA PHE 9 0.309 6.344 0.311
66 1HB PHE 9 2HB PHE 9 -0.148 8.747 -0.136
67 2HB PHE 9 1HB PHE 9 0.809 9.167 1.281
68 HD1 PHE 9 1HD PHE 9 2.765 10.167 0.620
69 HD2 PHE 9 2HD PHE 9 1.360 6.776 -1.535
70 HE1 PHE 9 1HE PHE 9 4.794 10.214 -0.770
71 HE2 PHE 9 2HE PHE 9 3.389 6.815 -2.927
72 HZ PHE 9 HZ PHE 9 5.109 8.536 -2.546
73 H CYS 10 H CYS 10 2.221 5.372 0.717
74 HA CYS 10 HA CYS 10 3.919 6.150 2.878
75 1HB CYS 10 2HB CYS 10 3.686 4.366 4.361
76 2HB CYS 10 1HB CYS 10 2.021 4.733 3.932
77 H CYS 11 H CYS 11 5.987 5.289 2.692
78 HA CYS 11 HA CYS 11 6.464 3.975 0.144
79 1HB CYS 11 2HB CYS 11 7.763 6.020 0.910
80 2HB CYS 11 1HB CYS 11 8.562 4.964 2.070
81 H GLY 12 H GLY 12 6.840 1.898 -0.061
82 1HA GLY 12 2HA GLY 12 8.476 0.262 1.364
83 2HA GLY 12 1HA GLY 12 6.964 0.197 2.252
84 H CYS 13 H CYS 13 8.245 -2.011 0.847
85 HA CYS 13 HA CYS 13 5.980 -2.688 -0.884
86 1HB CYS 13 2HB CYS 13 7.531 -2.155 -2.595
87 2HB CYS 13 1HB CYS 13 8.874 -2.888 -1.722
88 H CYS 14 H CYS 14 8.867 -4.351 -0.818
89 HA CYS 14 HA CYS 14 7.811 -6.611 0.704
90 1HB CYS 14 2HB CYS 14 9.608 -7.613 -1.072
91 2HB CYS 14 1HB CYS 14 7.896 -7.401 -1.456
92 H HIS 15 H HIS 15 10.856 -7.334 -0.270
93 HA HIS 15 HA HIS 15 12.049 -6.936 2.267
94 1HB HIS 15 2HB HIS 15 13.348 -7.396 -0.439
95 2HB HIS 15 1HB HIS 15 14.189 -7.480 1.104
96 HD1 HIS 15 1HD HIS 15 14.509 -9.972 -0.267
97 HD2 HIS 15 2HD HIS 15 10.993 -9.200 1.807
98 HE1 HIS 15 1HE HIS 15 13.488 -12.224 0.186
99 HE2 HIS 15 2HE HIS 15 11.413 -11.737 1.529
100 H ARG 16 H ARG 16 12.321 -5.295 -0.847
101 HA ARG 16 HA ARG 16 13.639 -2.997 0.385
102 1HB ARG 16 2HB ARG 16 13.955 -2.153 -1.867
103 2HB ARG 16 1HB ARG 16 14.509 -3.818 -1.789
104 1HG ARG 16 2HG ARG 16 11.779 -3.076 -2.795
105 2HG ARG 16 1HG ARG 16 13.196 -3.130 -3.842
106 1HD ARG 16 2HD ARG 16 12.163 -5.431 -2.188
107 2HD ARG 16 1HD ARG 16 11.878 -5.211 -3.913
108 HE ARG 16 HE ARG 16 14.640 -5.152 -3.443
109 1HH1 ARG 16 1HH1 ARG 16 11.968 -7.387 -3.351
110 2HH1 ARG 16 2HH1 ARG 16 12.946 -8.770 -3.715
111 1HH2 ARG 16 1HH2 ARG 16 15.934 -6.966 -3.925
112 2HH2 ARG 16 2HH2 ARG 16 15.201 -8.531 -4.039
113 H SER 17 H SER 17 12.610 -1.050 0.680
114 HA SER 17 HA SER 17 9.750 -1.095 0.589
115 1HB SER 17 2HB SER 17 11.675 1.085 1.437
116 2HB SER 17 1HB SER 17 9.927 1.143 1.654
117 HG SER 17 HG SER 17 11.834 -0.456 2.946
118 H LYS 18 H LYS 18 8.446 -0.216 -0.903
119 HA LYS 18 HA LYS 18 9.687 1.545 -2.922
120 1HB LYS 18 2HB LYS 18 7.487 -0.488 -3.332
121 2HB LYS 18 1HB LYS 18 8.059 0.634 -4.559
122 1HG LYS 18 2HG LYS 18 9.787 -1.444 -3.228
123 2HG LYS 18 1HG LYS 18 8.961 -1.674 -4.769
124 1HD LYS 18 2HD LYS 18 11.055 0.420 -4.167
125 2HD LYS 18 1HD LYS 18 11.291 -1.048 -5.112
126 1HE LYS 18 2HE LYS 18 9.406 1.202 -5.805
127 2HE LYS 18 1HE LYS 18 10.984 0.921 -6.540
128 1HZ LYS 18 1HZ LYS 18 10.185 -1.205 -7.362
129 2HZ LYS 18 2HZ LYS 18 9.198 0.052 -7.914
130 3HZ LYS 18 3HZ LYS 18 8.672 -0.942 -6.650
131 H CYS 19 H CYS 19 8.954 3.537 -2.863
132 HA CYS 19 HA CYS 19 6.787 4.377 -1.293
133 1HB CYS 19 2HB CYS 19 8.154 5.821 -3.567
134 2HB CYS 19 1HB CYS 19 7.096 6.569 -2.379
135 H GLY 20 H GLY 20 4.655 4.477 -1.653
136 1HA GLY 20 2HA GLY 20 3.420 5.141 -4.059
137 2HA GLY 20 1HA GLY 20 3.526 3.389 -4.021
138 H MET 21 H MET 21 1.080 4.098 -4.185
139 HA MET 21 HA MET 21 -0.265 4.919 -1.849
140 1HB MET 21 2HB MET 21 -1.281 3.244 -4.154
141 2HB MET 21 1HB MET 21 -2.291 4.020 -2.942
142 1HG MET 21 2HG MET 21 -0.507 5.406 -4.928
143 2HG MET 21 1HG MET 21 -2.266 5.305 -4.989
144 1HE MET 21 1HE MET 21 -3.226 5.507 -2.364
145 2HE MET 21 2HE MET 21 -3.881 7.004 -3.027
146 3HE MET 21 3HE MET 21 -3.015 7.025 -1.491
147 H CYS 22 H CYS 22 -1.007 3.834 -0.106
148 HA CYS 22 HA CYS 22 -0.429 0.947 0.002
149 1HB CYS 22 2HB CYS 22 -0.474 2.863 2.338
150 2HB CYS 22 1HB CYS 22 0.119 1.202 2.324
151 H CYS 23 H CYS 23 -2.788 1.418 -1.049
152 HA CYS 23 HA CYS 23 -4.965 1.926 0.622
153 1HB CYS 23 2HB CYS 23 -4.781 0.191 -1.844
154 2HB CYS 23 1HB CYS 23 -6.292 0.671 -1.085
155 H LYS 24 H LYS 24 -4.274 -1.324 -0.657
156 HA LYS 24 HA LYS 24 -5.690 -2.583 1.449
157 1HB LYS 24 2HB LYS 24 -4.650 -4.698 0.495
158 2HB LYS 24 1HB LYS 24 -5.658 -3.753 -0.588
159 1HG LYS 24 2HG LYS 24 -3.795 -4.433 -1.845
160 2HG LYS 24 1HG LYS 24 -3.540 -2.727 -1.484
161 1HD LYS 24 2HD LYS 24 -1.476 -3.988 -1.199
162 2HD LYS 24 1HD LYS 24 -2.031 -3.348 0.347
163 1HE LYS 24 2HE LYS 24 -1.251 -5.655 0.564
164 2HE LYS 24 1HE LYS 24 -2.972 -5.521 0.923
165 1HZ LYS 24 1HZ LYS 24 -3.468 -6.899 -0.728
166 2HZ LYS 24 2HZ LYS 24 -1.819 -7.257 -0.841
167 3HZ LYS 24 3HZ LYS 24 -2.493 -6.070 -1.837
168 H THR 25 H THR 25 -4.916 -3.982 3.080
169 HA THR 25 HA THR 25 -2.121 -4.072 3.743
170 HB THR 25 HB THR 25 -3.969 -2.494 5.548
171 HG1 THR 25 1HG THR 25 -1.783 -1.148 4.889
172 1HG2 THR 25 1HG2 THR 25 -1.674 -2.079 6.706
173 2HG2 THR 25 2HG2 THR 25 -1.194 -3.569 5.894
174 3HG2 THR 25 3HG2 THR 25 -2.546 -3.578 7.028
Start of MODEL 11
1 1H ASP 1 1HT ASP 1 -7.318 -4.317 -3.445
2 2H ASP 1 2HT ASP 1 -8.639 -3.349 -3.025
3 3H ASP 1 3HT ASP 1 -8.097 -3.390 -4.626
4 HA ASP 1 HA ASP 1 -10.012 -4.715 -4.594
5 1HB ASP 1 2HB ASP 1 -7.557 -6.476 -4.370
6 2HB ASP 1 1HB ASP 1 -9.080 -6.943 -5.121
7 H THR 2 H THR 2 -7.759 -5.898 -2.104
8 HA THR 2 HA THR 2 -9.762 -7.472 -0.796
9 HB THR 2 HB THR 2 -8.055 -7.836 0.941
10 HG1 THR 2 1HG THR 2 -6.282 -6.235 -0.583
11 1HG2 THR 2 1HG2 THR 2 -6.173 -8.370 -1.013
12 2HG2 THR 2 2HG2 THR 2 -7.700 -8.368 -1.896
13 3HG2 THR 2 3HG2 THR 2 -7.483 -9.440 -0.511
14 H HIS 3 H HIS 3 -8.445 -6.407 1.851
15 HA HIS 3 HA HIS 3 -10.658 -4.834 2.662
16 1HB HIS 3 2HB HIS 3 -8.006 -5.301 4.043
17 2HB HIS 3 1HB HIS 3 -9.442 -4.612 4.793
18 HD1 HIS 3 1HD HIS 3 -11.642 -6.411 4.382
19 HD2 HIS 3 2HD HIS 3 -7.774 -7.900 4.690
20 HE1 HIS 3 1HE HIS 3 -11.901 -8.827 5.028
21 HE2 HIS 3 2HE HIS 3 -9.549 -9.732 5.114
22 H PHE 4 H PHE 4 -10.479 -3.187 0.985
23 HA PHE 4 HA PHE 4 -8.454 -1.443 0.505
24 1HB PHE 4 2HB PHE 4 -10.391 0.307 0.234
25 2HB PHE 4 1HB PHE 4 -10.282 -1.077 -0.845
26 HD1 PHE 4 1HD PHE 4 -11.793 -0.291 2.492
27 HD2 PHE 4 2HD PHE 4 -12.246 -2.128 -1.320
28 HE1 PHE 4 1HE PHE 4 -14.086 -0.948 3.087
29 HE2 PHE 4 2HE PHE 4 -14.542 -2.786 -0.733
30 HZ PHE 4 HZ PHE 4 -15.466 -2.198 1.473
31 HA PRO 5 HA PRO 5 -7.890 0.632 4.402
32 1HB PRO 5 2HB PRO 5 -5.656 1.946 3.773
33 2HB PRO 5 1HB PRO 5 -5.669 0.184 3.918
34 1HG PRO 5 2HG PRO 5 -5.676 1.890 1.472
35 2HG PRO 5 1HG PRO 5 -4.846 0.352 1.767
36 1HD PRO 5 2HD PRO 5 -7.261 0.672 0.400
37 2HD PRO 5 1HD PRO 5 -6.635 -0.852 1.057
38 H ILE 6 H ILE 6 -6.343 3.191 3.959
39 HA ILE 6 HA ILE 6 -8.575 4.944 3.179
40 HB ILE 6 HB ILE 6 -7.186 6.483 4.921
41 1HG1 ILE 6 2HG1 ILE 6 -7.126 3.670 6.030
42 2HG1 ILE 6 1HG1 ILE 6 -5.725 4.638 5.588
43 1HG2 ILE 6 1HG2 ILE 6 -9.009 5.931 6.554
44 2HG2 ILE 6 2HG2 ILE 6 -9.517 4.652 5.453
45 3HG2 ILE 6 3HG2 ILE 6 -9.566 6.335 4.930
46 1HD1 ILE 6 1HD1 ILE 6 -7.246 6.163 7.410
47 2HD1 ILE 6 2HD1 ILE 6 -5.658 5.434 7.648
48 3HD1 ILE 6 3HD1 ILE 6 -7.114 4.530 8.063
49 H CYS 7 H CYS 7 -6.394 4.022 1.565
50 HA CYS 7 HA CYS 7 -4.898 4.780 0.049
51 1HB CYS 7 2HB CYS 7 -6.298 7.353 0.727
52 2HB CYS 7 1HB CYS 7 -5.012 7.285 -0.469
53 H ILE 8 H ILE 8 -4.105 4.628 2.901
54 HA ILE 8 HA ILE 8 -2.371 6.742 3.565
55 HB ILE 8 HB ILE 8 -1.349 5.302 5.166
56 1HG1 ILE 8 2HG1 ILE 8 -2.577 2.981 3.651
57 2HG1 ILE 8 1HG1 ILE 8 -0.868 3.391 3.713
58 1HG2 ILE 8 1HG2 ILE 8 -3.193 5.374 6.378
59 2HG2 ILE 8 2HG2 ILE 8 -3.796 3.930 5.564
60 3HG2 ILE 8 3HG2 ILE 8 -4.154 5.526 4.906
61 1HD1 ILE 8 1HD1 ILE 8 -0.651 2.081 5.473
62 2HD1 ILE 8 2HD1 ILE 8 -2.385 1.763 5.484
63 3HD1 ILE 8 3HD1 ILE 8 -1.735 3.138 6.377
64 H PHE 9 H PHE 9 -0.206 7.101 3.204
65 HA PHE 9 HA PHE 9 0.878 6.132 0.760
66 1HB PHE 9 2HB PHE 9 1.427 8.365 1.602
67 2HB PHE 9 1HB PHE 9 2.190 7.661 3.022
68 HD1 PHE 9 1HD PHE 9 4.431 8.142 2.924
69 HD2 PHE 9 2HD PHE 9 2.459 6.800 -0.601
70 HE1 PHE 9 1HE PHE 9 6.589 8.085 1.745
71 HE2 PHE 9 2HE PHE 9 4.615 6.738 -1.786
72 HZ PHE 9 HZ PHE 9 6.682 7.380 -0.613
73 H CYS 10 H CYS 10 1.978 4.299 0.403
74 HA CYS 10 HA CYS 10 3.262 2.994 2.704
75 1HB CYS 10 2HB CYS 10 1.545 1.816 0.543
76 2HB CYS 10 1HB CYS 10 2.726 0.824 1.387
77 H CYS 11 H CYS 11 5.394 3.037 2.444
78 HA CYS 11 HA CYS 11 6.479 2.322 -0.185
79 1HB CYS 11 2HB CYS 11 6.588 4.783 0.025
80 2HB CYS 11 1HB CYS 11 7.512 4.606 1.512
81 H GLY 12 H GLY 12 7.545 0.478 0.140
82 1HA GLY 12 2HA GLY 12 8.574 -0.300 2.686
83 2HA GLY 12 1HA GLY 12 8.852 -1.130 1.158
84 H CYS 13 H CYS 13 10.467 0.077 3.576
85 HA CYS 13 HA CYS 13 12.312 1.933 2.516
86 1HB CYS 13 2HB CYS 13 13.588 1.573 4.502
87 2HB CYS 13 1HB CYS 13 11.897 1.444 4.969
88 H CYS 14 H CYS 14 12.579 -1.483 3.194
89 HA CYS 14 HA CYS 14 15.019 -1.561 1.585
90 1HB CYS 14 2HB CYS 14 14.330 -3.353 3.888
91 2HB CYS 14 1HB CYS 14 15.921 -2.894 3.276
92 H HIS 15 H HIS 15 12.573 -3.910 2.813
93 HA HIS 15 HA HIS 15 13.129 -5.790 0.778
94 1HB HIS 15 2HB HIS 15 11.888 -6.243 2.953
95 2HB HIS 15 1HB HIS 15 10.477 -5.502 2.203
96 HD1 HIS 15 1HD HIS 15 12.944 -8.227 1.191
97 HD2 HIS 15 2HD HIS 15 8.873 -7.399 1.154
98 HE1 HIS 15 1HE HIS 15 11.855 -10.248 0.164
99 HE2 HIS 15 2HE HIS 15 9.389 -9.736 0.174
100 H ARG 16 H ARG 16 10.280 -3.702 1.182
101 HA ARG 16 HA ARG 16 9.759 -3.824 -1.687
102 1HB ARG 16 2HB ARG 16 8.191 -2.920 0.694
103 2HB ARG 16 1HB ARG 16 7.803 -2.242 -0.879
104 1HG ARG 16 2HG ARG 16 6.354 -4.001 -0.734
105 2HG ARG 16 1HG ARG 16 7.694 -4.698 -1.642
106 1HD ARG 16 2HD ARG 16 8.565 -5.720 0.388
107 2HD ARG 16 1HD ARG 16 7.273 -4.977 1.332
108 HE ARG 16 HE ARG 16 6.223 -6.566 -0.774
109 1HH1 ARG 16 1HH1 ARG 16 7.640 -6.752 2.405
110 2HH1 ARG 16 2HH1 ARG 16 6.915 -8.280 2.777
111 1HH2 ARG 16 1HH2 ARG 16 5.264 -8.572 -0.291
112 2HH2 ARG 16 2HH2 ARG 16 5.567 -9.317 1.243
113 H SER 17 H SER 17 11.992 -2.580 -1.703
114 HA SER 17 HA SER 17 12.119 0.126 -0.963
115 1HB SER 17 2HB SER 17 13.606 -1.330 -3.161
116 2HB SER 17 1HB SER 17 14.030 0.266 -2.542
117 HG SER 17 HG SER 17 14.726 -2.107 -1.580
118 H LYS 18 H LYS 18 9.740 0.317 -1.816
119 HA LYS 18 HA LYS 18 9.898 1.940 -4.223
120 1HB LYS 18 2HB LYS 18 7.810 0.791 -5.124
121 2HB LYS 18 1HB LYS 18 9.325 -0.090 -5.270
122 1HG LYS 18 2HG LYS 18 8.750 -1.410 -3.296
123 2HG LYS 18 1HG LYS 18 7.228 -0.529 -3.154
124 1HD LYS 18 2HD LYS 18 6.950 -2.720 -4.235
125 2HD LYS 18 1HD LYS 18 6.495 -1.387 -5.299
126 1HE LYS 18 2HE LYS 18 8.688 -1.546 -6.399
127 2HE LYS 18 1HE LYS 18 9.107 -2.899 -5.349
128 1HZ LYS 18 1HZ LYS 18 8.239 -3.445 -7.651
129 2HZ LYS 18 2HZ LYS 18 6.718 -2.962 -7.091
130 3HZ LYS 18 3HZ LYS 18 7.517 -4.259 -6.356
131 H CYS 19 H CYS 19 8.563 3.674 -4.166
132 HA CYS 19 HA CYS 19 6.798 3.906 -1.838
133 1HB CYS 19 2HB CYS 19 8.046 5.968 -3.646
134 2HB CYS 19 1HB CYS 19 6.778 6.369 -2.495
135 H GLY 20 H GLY 20 4.632 4.163 -2.008
136 1HA GLY 20 2HA GLY 20 3.235 5.131 -4.228
137 2HA GLY 20 1HA GLY 20 3.332 3.384 -4.388
138 H MET 21 H MET 21 1.045 5.258 -3.891
139 HA MET 21 HA MET 21 0.123 4.919 -1.245
140 1HB MET 21 2HB MET 21 -1.464 5.340 -3.785
141 2HB MET 21 1HB MET 21 -2.091 5.526 -2.153
142 1HG MET 21 2HG MET 21 -0.501 7.342 -1.755
143 2HG MET 21 1HG MET 21 0.106 7.161 -3.401
144 1HE MET 21 1HE MET 21 -3.007 8.174 -5.536
145 2HE MET 21 2HE MET 21 -2.798 6.540 -4.906
146 3HE MET 21 3HE MET 21 -1.408 7.430 -5.526
147 H CYS 22 H CYS 22 -0.599 3.168 -0.242
148 HA CYS 22 HA CYS 22 -1.111 0.743 -1.774
149 1HB CYS 22 2HB CYS 22 -1.244 -0.307 0.510
150 2HB CYS 22 1HB CYS 22 0.295 0.472 0.155
151 H CYS 23 H CYS 23 -3.035 2.725 -2.187
152 HA CYS 23 HA CYS 23 -5.316 2.086 -0.506
153 1HB CYS 23 2HB CYS 23 -4.679 4.415 -1.438
154 2HB CYS 23 1HB CYS 23 -5.423 3.850 -2.931
155 H LYS 24 H LYS 24 -4.777 -0.235 -1.606
156 HA LYS 24 HA LYS 24 -5.696 -0.797 -4.173
157 1HB LYS 24 2HB LYS 24 -5.848 -2.528 -1.697
158 2HB LYS 24 1HB LYS 24 -6.064 -3.106 -3.344
159 1HG LYS 24 2HG LYS 24 -3.767 -2.423 -3.870
160 2HG LYS 24 1HG LYS 24 -3.557 -1.887 -2.203
161 1HD LYS 24 2HD LYS 24 -4.213 -4.707 -3.058
162 2HD LYS 24 1HD LYS 24 -2.609 -4.130 -2.606
163 1HE LYS 24 2HE LYS 24 -3.448 -3.573 -0.370
164 2HE LYS 24 1HE LYS 24 -5.045 -4.162 -0.826
165 1HZ LYS 24 1HZ LYS 24 -3.187 -5.654 0.376
166 2HZ LYS 24 2HZ LYS 24 -2.875 -6.033 -1.242
167 3HZ LYS 24 3HZ LYS 24 -4.417 -6.288 -0.598
168 H THR 25 H THR 25 -7.625 -0.484 -5.051
169 HA THR 25 HA THR 25 -9.917 0.208 -3.544
170 HB THR 25 HB THR 25 -9.776 1.135 -5.711
171 HG1 THR 25 1HG THR 25 -11.865 -0.211 -4.958
172 1HG2 THR 25 1HG2 THR 25 -8.463 -0.102 -7.095
173 2HG2 THR 25 2HG2 THR 25 -10.030 -0.657 -7.681
174 3HG2 THR 25 3HG2 THR 25 -9.121 -1.637 -6.530
Start of MODEL 12
1 1H ASP 1 1HT ASP 1 -8.086 -6.639 -0.416
2 2H ASP 1 2HT ASP 1 -7.933 -4.959 -0.293
3 3H ASP 1 3HT ASP 1 -6.855 -5.837 -1.256
4 HA ASP 1 HA ASP 1 -8.304 -4.892 -2.780
5 1HB ASP 1 2HB ASP 1 -9.593 -6.869 -3.614
6 2HB ASP 1 1HB ASP 1 -7.918 -7.238 -3.218
7 H THR 2 H THR 2 -9.268 -3.814 -0.389
8 HA THR 2 HA THR 2 -12.071 -4.375 -0.114
9 HB THR 2 HB THR 2 -12.079 -2.378 1.391
10 HG1 THR 2 1HG THR 2 -9.264 -2.386 1.023
11 1HG2 THR 2 1HG2 THR 2 -9.808 -4.214 2.102
12 2HG2 THR 2 2HG2 THR 2 -11.481 -4.772 2.078
13 3HG2 THR 2 3HG2 THR 2 -10.999 -3.473 3.170
14 H HIS 3 H HIS 3 -13.797 -3.050 -0.656
15 HA HIS 3 HA HIS 3 -13.634 -1.778 -3.165
16 1HB HIS 3 2HB HIS 3 -15.831 -1.746 -1.093
17 2HB HIS 3 1HB HIS 3 -16.002 -1.139 -2.735
18 HD1 HIS 3 1HD HIS 3 -17.961 -3.174 -2.265
19 HD2 HIS 3 2HD HIS 3 -14.061 -4.243 -3.218
20 HE1 HIS 3 1HE HIS 3 -18.104 -5.523 -3.146
21 HE2 HIS 3 2HE HIS 3 -15.749 -6.107 -3.821
22 H PHE 4 H PHE 4 -13.792 -0.450 0.126
23 HA PHE 4 HA PHE 4 -13.165 2.175 -1.032
24 1HB PHE 4 2HB PHE 4 -14.602 3.108 0.909
25 2HB PHE 4 1HB PHE 4 -15.401 2.490 -0.529
26 HD1 PHE 4 1HD PHE 4 -14.012 0.732 2.466
27 HD2 PHE 4 2HD PHE 4 -17.433 1.645 0.101
28 HE1 PHE 4 1HE PHE 4 -15.371 -0.780 3.853
29 HE2 PHE 4 2HE PHE 4 -18.795 0.135 1.485
30 HZ PHE 4 HZ PHE 4 -17.766 -1.080 3.363
31 HA PRO 5 HA PRO 5 -10.275 1.130 2.515
32 1HB PRO 5 2HB PRO 5 -7.974 1.034 1.142
33 2HB PRO 5 1HB PRO 5 -9.037 -0.370 1.279
34 1HG PRO 5 2HG PRO 5 -8.738 1.565 -0.985
35 2HG PRO 5 1HG PRO 5 -8.891 -0.201 -1.039
36 1HD PRO 5 2HD PRO 5 -10.968 1.512 -1.504
37 2HD PRO 5 1HD PRO 5 -11.175 -0.127 -0.858
38 H ILE 6 H ILE 6 -8.377 2.375 3.226
39 HA ILE 6 HA ILE 6 -8.739 5.193 2.686
40 HB ILE 6 HB ILE 6 -6.900 5.434 4.427
41 1HG1 ILE 6 2HG1 ILE 6 -7.394 2.457 4.654
42 2HG1 ILE 6 1HG1 ILE 6 -5.880 3.239 4.216
43 1HG2 ILE 6 1HG2 ILE 6 -9.011 3.911 5.779
44 2HG2 ILE 6 2HG2 ILE 6 -9.594 5.142 4.659
45 3HG2 ILE 6 3HG2 ILE 6 -8.515 5.591 5.980
46 1HD1 ILE 6 1HD1 ILE 6 -5.543 4.034 6.400
47 2HD1 ILE 6 2HD1 ILE 6 -6.078 2.363 6.579
48 3HD1 ILE 6 3HD1 ILE 6 -7.206 3.687 6.869
49 H CYS 7 H CYS 7 -6.527 2.650 1.909
50 HA CYS 7 HA CYS 7 -4.765 2.488 0.503
51 1HB CYS 7 2HB CYS 7 -6.312 3.690 -1.043
52 2HB CYS 7 1HB CYS 7 -5.587 5.209 -0.523
53 H ILE 8 H ILE 8 -3.961 3.112 2.933
54 HA ILE 8 HA ILE 8 -2.526 5.494 3.293
55 HB ILE 8 HB ILE 8 -1.211 4.229 4.992
56 1HG1 ILE 8 2HG1 ILE 8 -2.937 1.909 4.092
57 2HG1 ILE 8 1HG1 ILE 8 -1.203 2.052 3.827
58 1HG2 ILE 8 1HG2 ILE 8 -2.965 5.086 6.097
59 2HG2 ILE 8 2HG2 ILE 8 -3.522 3.414 6.147
60 3HG2 ILE 8 3HG2 ILE 8 -4.129 4.509 4.905
61 1HD1 ILE 8 1HD1 ILE 8 -2.009 2.313 6.624
62 2HD1 ILE 8 2HD1 ILE 8 -0.714 1.363 5.894
63 3HD1 ILE 8 3HD1 ILE 8 -2.367 0.745 5.900
64 H PHE 9 H PHE 9 -0.444 6.099 2.891
65 HA PHE 9 HA PHE 9 0.852 5.074 0.624
66 1HB PHE 9 2HB PHE 9 1.133 7.391 1.439
67 2HB PHE 9 1HB PHE 9 2.018 6.785 2.833
68 HD1 PHE 9 1HD PHE 9 4.211 7.434 2.653
69 HD2 PHE 9 2HD PHE 9 2.210 5.957 -0.802
70 HE1 PHE 9 1HE PHE 9 6.313 7.573 1.380
71 HE2 PHE 9 2HE PHE 9 4.310 6.091 -2.079
72 HZ PHE 9 HZ PHE 9 6.364 6.899 -0.988
73 H CYS 10 H CYS 10 2.648 3.789 0.353
74 HA CYS 10 HA CYS 10 3.928 2.587 2.671
75 1HB CYS 10 2HB CYS 10 3.503 0.285 1.872
76 2HB CYS 10 1HB CYS 10 2.009 1.117 2.299
77 H CYS 11 H CYS 11 6.058 2.600 2.268
78 HA CYS 11 HA CYS 11 6.958 2.023 -0.465
79 1HB CYS 11 2HB CYS 11 6.980 4.481 -0.135
80 2HB CYS 11 1HB CYS 11 8.059 4.268 1.240
81 H GLY 12 H GLY 12 8.318 0.376 -0.455
82 1HA GLY 12 2HA GLY 12 9.404 -0.704 1.941
83 2HA GLY 12 1HA GLY 12 9.783 -1.226 0.307
84 H CYS 13 H CYS 13 11.291 -0.441 2.900
85 HA CYS 13 HA CYS 13 12.918 1.768 2.493
86 1HB CYS 13 2HB CYS 13 13.130 0.884 4.622
87 2HB CYS 13 1HB CYS 13 13.232 -0.774 4.035
88 H CYS 14 H CYS 14 14.197 -1.440 2.406
89 HA CYS 14 HA CYS 14 16.052 -0.638 0.290
90 1HB CYS 14 2HB CYS 14 17.157 -2.685 1.838
91 2HB CYS 14 1HB CYS 14 17.531 -0.963 1.934
92 H HIS 15 H HIS 15 14.687 -3.640 1.742
93 HA HIS 15 HA HIS 15 15.354 -5.320 -0.391
94 1HB HIS 15 2HB HIS 15 12.972 -5.492 1.478
95 2HB HIS 15 1HB HIS 15 13.519 -6.794 0.426
96 HD1 HIS 15 1HD HIS 15 13.511 -7.768 3.099
97 HD2 HIS 15 2HD HIS 15 16.665 -5.390 1.809
98 HE1 HIS 15 1HE HIS 15 15.406 -8.248 4.680
99 HE2 HIS 15 2HE HIS 15 17.282 -6.747 3.923
100 H ARG 16 H ARG 16 12.084 -4.153 0.321
101 HA ARG 16 HA ARG 16 11.454 -4.185 -2.527
102 1HB ARG 16 2HB ARG 16 9.116 -3.741 -1.779
103 2HB ARG 16 1HB ARG 16 9.783 -5.231 -1.132
104 1HG ARG 16 2HG ARG 16 9.836 -2.687 0.448
105 2HG ARG 16 1HG ARG 16 8.414 -3.728 0.423
106 1HD ARG 16 2HD ARG 16 9.760 -5.593 1.244
107 2HD ARG 16 1HD ARG 16 11.194 -4.567 1.242
108 HE ARG 16 HE ARG 16 9.242 -3.331 2.810
109 1HH1 ARG 16 1HH1 ARG 16 11.230 -6.194 2.842
110 2HH1 ARG 16 2HH1 ARG 16 11.291 -6.288 4.571
111 1HH2 ARG 16 1HH2 ARG 16 9.323 -3.444 5.085
112 2HH2 ARG 16 2HH2 ARG 16 10.208 -4.725 5.845
113 H SER 17 H SER 17 13.282 -2.369 -2.078
114 HA SER 17 HA SER 17 12.625 0.170 -1.203
115 1HB SER 17 2HB SER 17 14.554 0.931 -2.559
116 2HB SER 17 1HB SER 17 14.926 -0.503 -1.603
117 HG SER 17 HG SER 17 14.543 -0.258 -4.376
118 H LYS 18 H LYS 18 10.436 0.195 -2.062
119 HA LYS 18 HA LYS 18 10.381 1.810 -4.473
120 1HB LYS 18 2HB LYS 18 8.359 0.441 -5.312
121 2HB LYS 18 1HB LYS 18 9.979 -0.161 -5.615
122 1HG LYS 18 2HG LYS 18 8.613 -1.996 -4.961
123 2HG LYS 18 1HG LYS 18 9.728 -1.653 -3.640
124 1HD LYS 18 2HD LYS 18 8.012 -0.559 -2.389
125 2HD LYS 18 1HD LYS 18 6.892 -0.641 -3.751
126 1HE LYS 18 2HE LYS 18 6.920 -3.093 -3.599
127 2HE LYS 18 1HE LYS 18 8.011 -2.985 -2.219
128 1HZ LYS 18 1HZ LYS 18 5.541 -3.271 -1.754
129 2HZ LYS 18 2HZ LYS 18 5.378 -1.649 -2.201
130 3HZ LYS 18 3HZ LYS 18 6.357 -2.069 -0.888
131 H CYS 19 H CYS 19 8.760 3.307 -4.549
132 HA CYS 19 HA CYS 19 7.088 3.461 -2.141
133 1HB CYS 19 2HB CYS 19 8.042 5.575 -4.067
134 2HB CYS 19 1HB CYS 19 6.785 5.882 -2.875
135 H GLY 20 H GLY 20 4.910 3.502 -2.237
136 1HA GLY 20 2HA GLY 20 3.371 4.162 -4.511
137 2HA GLY 20 1HA GLY 20 3.567 2.416 -4.437
138 H MET 21 H MET 21 1.106 3.956 -4.160
139 HA MET 21 HA MET 21 0.423 3.872 -1.356
140 1HB MET 21 2HB MET 21 -1.292 4.356 -3.797
141 2HB MET 21 1HB MET 21 -1.826 4.548 -2.134
142 1HG MET 21 2HG MET 21 -0.211 6.322 -1.792
143 2HG MET 21 1HG MET 21 0.400 6.103 -3.431
144 1HE MET 21 1HE MET 21 -2.534 7.309 -5.645
145 2HE MET 21 2HE MET 21 -2.459 5.651 -5.050
146 3HE MET 21 3HE MET 21 -0.983 6.472 -5.559
147 H CYS 22 H CYS 22 -0.352 2.174 -0.273
148 HA CYS 22 HA CYS 22 -1.008 -0.269 -1.708
149 1HB CYS 22 2HB CYS 22 -0.671 0.376 1.218
150 2HB CYS 22 1HB CYS 22 -1.298 -1.174 0.671
151 H CYS 23 H CYS 23 -2.918 1.161 -2.576
152 HA CYS 23 HA CYS 23 -5.119 1.824 -1.062
153 1HB CYS 23 2HB CYS 23 -4.881 0.881 -3.904
154 2HB CYS 23 1HB CYS 23 -6.446 1.281 -3.206
155 H LYS 24 H LYS 24 -4.416 -1.343 -2.524
156 HA LYS 24 HA LYS 24 -6.744 -2.684 -1.967
157 1HB LYS 24 2HB LYS 24 -3.975 -3.831 -1.608
158 2HB LYS 24 1HB LYS 24 -5.453 -4.728 -1.932
159 1HG LYS 24 2HG LYS 24 -5.601 -3.859 -4.132
160 2HG LYS 24 1HG LYS 24 -4.325 -2.679 -3.819
161 1HD LYS 24 2HD LYS 24 -2.721 -4.516 -3.519
162 2HD LYS 24 1HD LYS 24 -4.000 -5.678 -3.876
163 1HE LYS 24 2HE LYS 24 -2.577 -5.239 -5.826
164 2HE LYS 24 1HE LYS 24 -4.250 -4.758 -6.104
165 1HZ LYS 24 1HZ LYS 24 -2.963 -2.540 -5.070
166 2HZ LYS 24 2HZ LYS 24 -3.484 -2.771 -6.663
167 3HZ LYS 24 3HZ LYS 24 -1.905 -3.183 -6.222
168 H THR 25 H THR 25 -3.993 -2.192 0.224
169 HA THR 25 HA THR 25 -5.774 -2.490 2.508
170 HB THR 25 HB THR 25 -4.223 -4.046 3.667
171 HG1 THR 25 1HG THR 25 -2.316 -3.983 2.647
172 1HG2 THR 25 1HG2 THR 25 -6.266 -4.721 2.154
173 2HG2 THR 25 2HG2 THR 25 -5.200 -5.954 2.827
174 3HG2 THR 25 3HG2 THR 25 -5.009 -5.443 1.150
Start of MODEL 13
1 1H ASP 1 1HT ASP 1 -8.732 -4.995 -4.578
2 2H ASP 1 2HT ASP 1 -7.510 -4.436 -3.552
3 3H ASP 1 3HT ASP 1 -7.107 -5.215 -4.997
4 HA ASP 1 HA ASP 1 -7.315 -2.525 -4.617
5 1HB ASP 1 2HB ASP 1 -7.452 -4.151 -7.169
6 2HB ASP 1 1HB ASP 1 -6.985 -2.457 -7.067
7 H THR 2 H THR 2 -9.843 -3.455 -3.778
8 HA THR 2 HA THR 2 -11.562 -1.922 -5.601
9 HB THR 2 HB THR 2 -12.332 -4.561 -4.338
10 HG1 THR 2 1HG THR 2 -11.086 -4.878 -6.191
11 1HG2 THR 2 1HG2 THR 2 -14.322 -3.372 -4.336
12 2HG2 THR 2 2HG2 THR 2 -14.365 -4.148 -5.919
13 3HG2 THR 2 3HG2 THR 2 -13.894 -2.455 -5.780
14 H HIS 3 H HIS 3 -11.410 -3.501 -2.419
15 HA HIS 3 HA HIS 3 -13.287 -1.638 -1.272
16 1HB HIS 3 2HB HIS 3 -12.792 -2.869 0.851
17 2HB HIS 3 1HB HIS 3 -13.345 -3.902 -0.462
18 HD1 HIS 3 1HD HIS 3 -11.084 -4.882 -1.901
19 HD2 HIS 3 2HD HIS 3 -10.718 -4.002 2.143
20 HE1 HIS 3 1HE HIS 3 -9.076 -6.174 -1.110
21 HE2 HIS 3 2HE HIS 3 -8.830 -5.566 1.322
22 H PHE 4 H PHE 4 -11.461 -0.012 -2.213
23 HA PHE 4 HA PHE 4 -9.141 0.528 -0.830
24 1HB PHE 4 2HB PHE 4 -11.074 2.503 -2.062
25 2HB PHE 4 1HB PHE 4 -9.439 2.900 -1.546
26 HD1 PHE 4 1HD PHE 4 -7.546 2.286 -2.852
27 HD2 PHE 4 2HD PHE 4 -11.450 1.041 -4.003
28 HE1 PHE 4 1HE PHE 4 -6.685 1.639 -5.063
29 HE2 PHE 4 2HE PHE 4 -10.593 0.384 -6.213
30 HZ PHE 4 HZ PHE 4 -8.208 0.684 -6.746
31 HA PRO 5 HA PRO 5 -11.040 1.726 3.087
32 1HB PRO 5 2HB PRO 5 -9.037 0.971 4.670
33 2HB PRO 5 1HB PRO 5 -10.058 -0.232 3.873
34 1HG PRO 5 2HG PRO 5 -7.302 0.675 3.178
35 2HG PRO 5 1HG PRO 5 -8.007 -0.948 3.086
36 1HD PRO 5 2HD PRO 5 -7.721 0.845 0.955
37 2HD PRO 5 1HD PRO 5 -8.752 -0.597 0.970
38 H ILE 6 H ILE 6 -8.496 2.327 4.835
39 HA ILE 6 HA ILE 6 -8.605 5.153 4.527
40 HB ILE 6 HB ILE 6 -6.755 5.147 6.228
41 1HG1 ILE 6 2HG1 ILE 6 -7.178 2.154 6.046
42 2HG1 ILE 6 1HG1 ILE 6 -5.703 3.027 5.647
43 1HG2 ILE 6 1HG2 ILE 6 -8.568 5.338 7.506
44 2HG2 ILE 6 2HG2 ILE 6 -8.446 3.603 7.794
45 3HG2 ILE 6 3HG2 ILE 6 -9.481 4.212 6.502
46 1HD1 ILE 6 1HD1 ILE 6 -5.634 3.761 8.056
47 2HD1 ILE 6 2HD1 ILE 6 -5.356 2.046 7.757
48 3HD1 ILE 6 3HD1 ILE 6 -6.923 2.594 8.355
49 H CYS 7 H CYS 7 -6.550 2.614 3.373
50 HA CYS 7 HA CYS 7 -4.823 2.550 1.913
51 1HB CYS 7 2HB CYS 7 -5.950 5.255 1.204
52 2HB CYS 7 1HB CYS 7 -4.617 4.514 0.324
53 H ILE 8 H ILE 8 -3.969 3.028 4.409
54 HA ILE 8 HA ILE 8 -2.520 5.323 4.956
55 HB ILE 8 HB ILE 8 -0.977 3.876 6.294
56 1HG1 ILE 8 2HG1 ILE 8 -2.726 1.641 5.240
57 2HG1 ILE 8 1HG1 ILE 8 -1.039 1.903 4.810
58 1HG2 ILE 8 1HG2 ILE 8 -3.453 4.670 6.859
59 2HG2 ILE 8 2HG2 ILE 8 -2.486 3.710 7.978
60 3HG2 ILE 8 3HG2 ILE 8 -3.699 2.927 6.965
61 1HD1 ILE 8 1HD1 ILE 8 -1.138 0.167 6.431
62 2HD1 ILE 8 2HD1 ILE 8 -2.141 1.145 7.502
63 3HD1 ILE 8 3HD1 ILE 8 -0.459 1.594 7.213
64 H PHE 9 H PHE 9 -0.709 6.234 4.186
65 HA PHE 9 HA PHE 9 0.420 5.377 1.766
66 1HB PHE 9 2HB PHE 9 0.449 7.725 2.528
67 2HB PHE 9 1HB PHE 9 1.608 7.294 3.781
68 HD1 PHE 9 1HD PHE 9 3.587 8.349 3.250
69 HD2 PHE 9 2HD PHE 9 1.442 6.316 0.178
70 HE1 PHE 9 1HE PHE 9 5.439 8.763 1.685
71 HE2 PHE 9 2HE PHE 9 3.296 6.727 -1.387
72 HZ PHE 9 HZ PHE 9 5.296 7.951 -0.635
73 H CYS 10 H CYS 10 2.384 4.488 1.247
74 HA CYS 10 HA CYS 10 4.182 3.511 3.290
75 1HB CYS 10 2HB CYS 10 3.983 1.146 2.552
76 2HB CYS 10 1HB CYS 10 2.507 1.744 3.302
77 H CYS 11 H CYS 11 6.246 3.229 2.472
78 HA CYS 11 HA CYS 11 6.541 3.290 -0.452
79 1HB CYS 11 2HB CYS 11 6.803 5.584 0.409
80 2HB CYS 11 1HB CYS 11 8.080 5.031 1.483
81 H GLY 12 H GLY 12 7.666 1.605 -1.072
82 1HA GLY 12 2HA GLY 12 9.534 0.311 0.771
83 2HA GLY 12 1HA GLY 12 8.921 -0.365 -0.735
84 H CYS 13 H CYS 13 11.274 1.682 0.743
85 HA CYS 13 HA CYS 13 12.481 2.763 -1.590
86 1HB CYS 13 2HB CYS 13 14.229 3.515 -0.134
87 2HB CYS 13 1HB CYS 13 12.723 3.658 0.764
88 H CYS 14 H CYS 14 13.409 0.236 0.622
89 HA CYS 14 HA CYS 14 15.413 -0.677 -1.298
90 1HB CYS 14 2HB CYS 14 15.513 -0.983 1.684
91 2HB CYS 14 1HB CYS 14 16.849 -0.906 0.530
92 H HIS 15 H HIS 15 13.332 -1.883 1.369
93 HA HIS 15 HA HIS 15 13.764 -4.612 0.878
94 1HB HIS 15 2HB HIS 15 11.266 -3.259 1.941
95 2HB HIS 15 1HB HIS 15 11.610 -4.980 2.052
96 HD1 HIS 15 1HD HIS 15 11.159 -3.973 4.684
97 HD2 HIS 15 2HD HIS 15 14.860 -3.404 2.880
98 HE1 HIS 15 1HE HIS 15 12.765 -3.536 6.567
99 HE2 HIS 15 2HE HIS 15 14.978 -3.096 5.445
100 H ARG 16 H ARG 16 10.596 -3.189 0.261
101 HA ARG 16 HA ARG 16 10.415 -4.697 -2.237
102 1HB ARG 16 2HB ARG 16 8.416 -3.241 -0.522
103 2HB ARG 16 1HB ARG 16 8.031 -3.663 -2.184
104 1HG ARG 16 2HG ARG 16 7.141 -5.328 -0.740
105 2HG ARG 16 1HG ARG 16 8.487 -6.025 -1.641
106 1HD ARG 16 2HD ARG 16 8.561 -6.715 0.694
107 2HD ARG 16 1HD ARG 16 9.949 -5.702 0.295
108 HE ARG 16 HE ARG 16 7.951 -4.045 1.310
109 1HH1 ARG 16 1HH1 ARG 16 9.996 -6.651 2.391
110 2HH1 ARG 16 2HH1 ARG 16 10.044 -6.104 4.035
111 1HH2 ARG 16 1HH2 ARG 16 8.008 -3.316 3.472
112 2HH2 ARG 16 2HH2 ARG 16 8.915 -4.208 4.648
113 H SER 17 H SER 17 10.736 -3.705 -4.176
114 HA SER 17 HA SER 17 11.360 -0.893 -4.205
115 1HB SER 17 2HB SER 17 11.765 -1.244 -6.628
116 2HB SER 17 1HB SER 17 12.623 -2.423 -5.636
117 HG SER 17 HG SER 17 10.246 -3.435 -6.177
118 H LYS 18 H LYS 18 8.919 -0.829 -3.276
119 HA LYS 18 HA LYS 18 7.379 0.290 -5.493
120 1HB LYS 18 2HB LYS 18 5.316 -0.919 -4.766
121 2HB LYS 18 1HB LYS 18 6.545 -1.951 -5.486
122 1HG LYS 18 2HG LYS 18 7.252 -2.662 -3.254
123 2HG LYS 18 1HG LYS 18 6.011 -1.634 -2.538
124 1HD LYS 18 2HD LYS 18 5.462 -3.899 -4.455
125 2HD LYS 18 1HD LYS 18 5.360 -4.028 -2.698
126 1HE LYS 18 2HE LYS 18 3.739 -2.157 -4.425
127 2HE LYS 18 1HE LYS 18 3.160 -3.666 -3.719
128 1HZ LYS 18 1HZ LYS 18 3.681 -2.698 -1.509
129 2HZ LYS 18 2HZ LYS 18 2.456 -1.879 -2.339
130 3HZ LYS 18 3HZ LYS 18 4.014 -1.223 -2.268
131 H CYS 19 H CYS 19 6.533 2.185 -4.927
132 HA CYS 19 HA CYS 19 5.884 2.633 -2.092
133 1HB CYS 19 2HB CYS 19 7.268 4.535 -3.987
134 2HB CYS 19 1HB CYS 19 6.582 5.028 -2.441
135 H GLY 20 H GLY 20 3.880 3.248 -1.725
136 1HA GLY 20 2HA GLY 20 2.411 5.134 -3.155
137 2HA GLY 20 1HA GLY 20 1.971 3.553 -3.786
138 H MET 21 H MET 21 -0.164 3.781 -3.009
139 HA MET 21 HA MET 21 -0.538 3.998 -0.127
140 1HB MET 21 2HB MET 21 -2.577 3.781 -2.349
141 2HB MET 21 1HB MET 21 -2.937 4.085 -0.655
142 1HG MET 21 2HG MET 21 -1.697 6.190 -0.777
143 2HG MET 21 1HG MET 21 -1.360 5.885 -2.480
144 1HE MET 21 1HE MET 21 -3.354 5.853 -4.398
145 2HE MET 21 2HE MET 21 -5.052 5.863 -3.921
146 3HE MET 21 3HE MET 21 -4.001 4.541 -3.411
147 H CYS 22 H CYS 22 -0.680 2.276 1.141
148 HA CYS 22 HA CYS 22 -0.960 -0.368 -0.028
149 1HB CYS 22 2HB CYS 22 -0.236 0.637 2.711
150 2HB CYS 22 1HB CYS 22 -0.649 -1.054 2.452
151 H CYS 23 H CYS 23 -3.267 0.740 -0.535
152 HA CYS 23 HA CYS 23 -5.264 0.862 1.379
153 1HB CYS 23 2HB CYS 23 -5.547 -0.120 -1.470
154 2HB CYS 23 1HB CYS 23 -6.850 0.476 -0.450
155 H LYS 24 H LYS 24 -4.823 -1.901 -0.839
156 HA LYS 24 HA LYS 24 -6.371 -3.629 0.821
157 1HB LYS 24 2HB LYS 24 -5.662 -5.400 -0.789
158 2HB LYS 24 1HB LYS 24 -6.404 -4.001 -1.548
159 1HG LYS 24 2HG LYS 24 -4.618 -4.467 -2.937
160 2HG LYS 24 1HG LYS 24 -3.984 -3.186 -1.904
161 1HD LYS 24 2HD LYS 24 -2.906 -4.895 -0.491
162 2HD LYS 24 1HD LYS 24 -3.504 -6.149 -1.580
163 1HE LYS 24 2HE LYS 24 -1.178 -5.592 -2.064
164 2HE LYS 24 1HE LYS 24 -2.229 -5.172 -3.416
165 1HZ LYS 24 1HZ LYS 24 -1.363 -3.149 -3.317
166 2HZ LYS 24 2HZ LYS 24 -0.530 -3.495 -1.886
167 3HZ LYS 24 3HZ LYS 24 -2.122 -2.927 -1.821
168 H THR 25 H THR 25 -5.715 -5.361 2.089
169 HA THR 25 HA THR 25 -3.374 -5.005 3.592
170 HB THR 25 HB THR 25 -3.844 -7.224 4.566
171 HG1 THR 25 1HG THR 25 -6.160 -7.469 3.009
172 1HG2 THR 25 1HG2 THR 25 -6.025 -5.204 4.246
173 2HG2 THR 25 2HG2 THR 25 -5.060 -5.595 5.669
174 3HG2 THR 25 3HG2 THR 25 -6.338 -6.690 5.141
Start of MODEL 14
1 1H ASP 1 1HT ASP 1 -10.926 -9.467 -0.877
2 2H ASP 1 2HT ASP 1 -11.981 -8.485 -1.763
3 3H ASP 1 3HT ASP 1 -12.187 -8.654 -0.093
4 HA ASP 1 HA ASP 1 -9.987 -7.621 0.244
5 1HB ASP 1 2HB ASP 1 -9.024 -6.414 -1.687
6 2HB ASP 1 1HB ASP 1 -9.073 -8.153 -1.954
7 H THR 2 H THR 2 -10.021 -5.481 0.895
8 HA THR 2 HA THR 2 -12.524 -4.252 1.159
9 HB THR 2 HB THR 2 -11.228 -2.266 1.966
10 HG1 THR 2 1HG THR 2 -9.375 -2.745 0.555
11 1HG2 THR 2 1HG2 THR 2 -9.866 -3.907 3.674
12 2HG2 THR 2 2HG2 THR 2 -11.098 -4.995 3.035
13 3HG2 THR 2 3HG2 THR 2 -11.572 -3.491 3.824
14 H HIS 3 H HIS 3 -13.666 -3.124 -0.237
15 HA HIS 3 HA HIS 3 -12.595 -2.333 -2.773
16 1HB HIS 3 2HB HIS 3 -15.301 -1.812 -1.531
17 2HB HIS 3 1HB HIS 3 -14.877 -1.498 -3.210
18 HD1 HIS 3 1HD HIS 3 -13.800 -3.888 -4.359
19 HD2 HIS 3 2HD HIS 3 -16.617 -4.151 -1.315
20 HE1 HIS 3 1HE HIS 3 -14.785 -6.194 -4.553
21 HE2 HIS 3 2HE HIS 3 -16.490 -6.331 -2.702
22 H PHE 4 H PHE 4 -13.131 -0.787 0.276
23 HA PHE 4 HA PHE 4 -12.039 1.691 -0.823
24 1HB PHE 4 2HB PHE 4 -14.495 1.950 -0.868
25 2HB PHE 4 1HB PHE 4 -14.553 1.617 0.858
26 HD1 PHE 4 1HD PHE 4 -12.242 3.774 -1.117
27 HD2 PHE 4 2HD PHE 4 -15.259 3.559 1.878
28 HE1 PHE 4 1HE PHE 4 -11.936 6.169 -0.643
29 HE2 PHE 4 2HE PHE 4 -14.959 5.953 2.356
30 HZ PHE 4 HZ PHE 4 -13.296 7.261 1.095
31 HA PRO 5 HA PRO 5 -10.386 0.408 3.396
32 1HB PRO 5 2HB PRO 5 -7.804 0.043 2.656
33 2HB PRO 5 1HB PRO 5 -9.008 -1.247 2.585
34 1HG PRO 5 2HG PRO 5 -7.960 0.491 0.388
35 2HG PRO 5 1HG PRO 5 -8.306 -1.248 0.374
36 1HD PRO 5 2HD PRO 5 -9.986 0.612 -0.677
37 2HD PRO 5 1HD PRO 5 -10.546 -0.926 0.006
38 H ILE 6 H ILE 6 -7.548 1.291 3.497
39 HA ILE 6 HA ILE 6 -8.054 4.181 3.607
40 HB ILE 6 HB ILE 6 -6.030 4.230 5.095
41 1HG1 ILE 6 2HG1 ILE 6 -6.379 1.226 4.962
42 2HG1 ILE 6 1HG1 ILE 6 -4.989 2.141 4.389
43 1HG2 ILE 6 1HG2 ILE 6 -7.681 4.359 6.577
44 2HG2 ILE 6 2HG2 ILE 6 -7.508 2.620 6.815
45 3HG2 ILE 6 3HG2 ILE 6 -8.683 3.240 5.654
46 1HD1 ILE 6 1HD1 ILE 6 -5.772 1.397 7.145
47 2HD1 ILE 6 2HD1 ILE 6 -4.945 2.938 6.912
48 3HD1 ILE 6 3HD1 ILE 6 -4.180 1.438 6.386
49 H CYS 7 H CYS 7 -5.796 1.751 2.449
50 HA CYS 7 HA CYS 7 -4.120 1.792 0.922
51 1HB CYS 7 2HB CYS 7 -6.076 2.608 -0.456
52 2HB CYS 7 1HB CYS 7 -5.482 4.246 -0.192
53 H ILE 8 H ILE 8 -3.272 2.803 3.223
54 HA ILE 8 HA ILE 8 -2.324 5.401 3.364
55 HB ILE 8 HB ILE 8 -0.636 4.607 4.921
56 1HG1 ILE 8 2HG1 ILE 8 -1.416 1.833 3.978
57 2HG1 ILE 8 1HG1 ILE 8 0.124 2.632 3.686
58 1HG2 ILE 8 1HG2 ILE 8 -2.603 2.802 5.905
59 2HG2 ILE 8 2HG2 ILE 8 -3.413 4.154 5.113
60 3HG2 ILE 8 3HG2 ILE 8 -2.262 4.456 6.415
61 1HD1 ILE 8 1HD1 ILE 8 0.528 2.657 6.123
62 2HD1 ILE 8 2HD1 ILE 8 0.380 1.033 5.450
63 3HD1 ILE 8 3HD1 ILE 8 -0.964 1.743 6.344
64 H PHE 9 H PHE 9 -0.360 6.388 2.881
65 HA PHE 9 HA PHE 9 0.793 5.613 0.388
66 1HB PHE 9 2HB PHE 9 0.566 7.984 1.059
67 2HB PHE 9 1HB PHE 9 1.716 7.717 2.364
68 HD1 PHE 9 1HD PHE 9 1.760 6.664 -1.218
69 HD2 PHE 9 2HD PHE 9 3.614 8.917 1.883
70 HE1 PHE 9 1HE PHE 9 3.614 7.223 -2.736
71 HE2 PHE 9 2HE PHE 9 5.470 9.479 0.369
72 HZ PHE 9 HZ PHE 9 5.472 8.632 -1.943
73 H CYS 10 H CYS 10 1.532 3.513 0.865
74 HA CYS 10 HA CYS 10 3.456 2.946 2.866
75 1HB CYS 10 2HB CYS 10 2.497 1.506 0.416
76 2HB CYS 10 1HB CYS 10 3.887 0.899 1.307
77 H CYS 11 H CYS 11 5.680 2.822 2.782
78 HA CYS 11 HA CYS 11 6.972 3.634 0.275
79 1HB CYS 11 2HB CYS 11 6.678 5.609 1.800
80 2HB CYS 11 1HB CYS 11 7.706 4.790 2.969
81 H GLY 12 H GLY 12 8.339 2.085 -0.266
82 1HA GLY 12 2HA GLY 12 9.463 0.328 1.766
83 2HA GLY 12 1HA GLY 12 9.567 0.109 0.023
84 H CYS 13 H CYS 13 11.011 1.430 2.828
85 HA CYS 13 HA CYS 13 12.905 3.190 1.728
86 1HB CYS 13 2HB CYS 13 12.777 3.483 4.001
87 2HB CYS 13 1HB CYS 13 12.568 1.765 4.319
88 H CYS 14 H CYS 14 13.719 0.303 3.405
89 HA CYS 14 HA CYS 14 16.086 -0.024 1.765
90 1HB CYS 14 2HB CYS 14 16.027 -1.578 4.169
91 2HB CYS 14 1HB CYS 14 17.049 -0.199 3.763
92 H HIS 15 H HIS 15 13.503 -2.042 3.231
93 HA HIS 15 HA HIS 15 14.331 -4.485 2.144
94 1HB HIS 15 2HB HIS 15 11.495 -3.537 2.650
95 2HB HIS 15 1HB HIS 15 11.986 -5.212 2.418
96 HD1 HIS 15 1HD HIS 15 14.058 -5.836 4.296
97 HD2 HIS 15 2HD HIS 15 11.171 -3.008 5.268
98 HE1 HIS 15 1HE HIS 15 14.080 -5.688 6.806
99 HE2 HIS 15 2HE HIS 15 12.299 -3.999 7.375
100 H ARG 16 H ARG 16 11.378 -2.968 0.956
101 HA ARG 16 HA ARG 16 12.134 -3.652 -1.785
102 1HB ARG 16 2HB ARG 16 9.562 -2.802 -0.472
103 2HB ARG 16 1HB ARG 16 9.751 -2.702 -2.215
104 1HG ARG 16 2HG ARG 16 8.636 -4.734 -1.652
105 2HG ARG 16 1HG ARG 16 10.243 -5.109 -2.269
106 1HD ARG 16 2HD ARG 16 11.060 -5.418 0.004
107 2HD ARG 16 1HD ARG 16 9.474 -4.990 0.646
108 HE ARG 16 HE ARG 16 9.148 -7.135 -1.112
109 1HH1 ARG 16 1HH1 ARG 16 10.649 -6.451 1.958
110 2HH1 ARG 16 2HH1 ARG 16 10.461 -8.065 2.555
111 1HH2 ARG 16 1HH2 ARG 16 8.893 -9.261 -0.332
112 2HH2 ARG 16 2HH2 ARG 16 9.461 -9.663 1.254
113 H SER 17 H SER 17 13.113 -2.126 -3.015
114 HA SER 17 HA SER 17 13.250 0.596 -2.094
115 1HB SER 17 2HB SER 17 14.223 -0.641 -4.686
116 2HB SER 17 1HB SER 17 14.622 0.980 -4.115
117 HG SER 17 HG SER 17 15.168 -0.764 -2.176
118 H LYS 18 H LYS 18 10.667 0.292 -2.268
119 HA LYS 18 HA LYS 18 9.934 1.942 -4.559
120 1HB LYS 18 2HB LYS 18 8.017 0.507 -5.155
121 2HB LYS 18 1HB LYS 18 9.561 -0.291 -5.419
122 1HG LYS 18 2HG LYS 18 9.278 -1.509 -3.307
123 2HG LYS 18 1HG LYS 18 7.709 -0.733 -3.085
124 1HD LYS 18 2HD LYS 18 6.942 -1.741 -5.201
125 2HD LYS 18 1HD LYS 18 8.498 -2.558 -5.355
126 1HE LYS 18 2HE LYS 18 6.825 -4.066 -4.442
127 2HE LYS 18 1HE LYS 18 8.085 -3.738 -3.253
128 1HZ LYS 18 1HZ LYS 18 5.345 -3.401 -2.957
129 2HZ LYS 18 2HZ LYS 18 6.014 -1.848 -2.976
130 3HZ LYS 18 3HZ LYS 18 6.561 -2.990 -1.855
131 H CYS 19 H CYS 19 8.536 3.491 -4.004
132 HA CYS 19 HA CYS 19 6.917 3.091 -1.577
133 1HB CYS 19 2HB CYS 19 8.383 5.597 -2.421
134 2HB CYS 19 1HB CYS 19 7.220 5.524 -1.101
135 H GLY 20 H GLY 20 4.799 3.435 -1.813
136 1HA GLY 20 2HA GLY 20 3.698 5.425 -3.516
137 2HA GLY 20 1HA GLY 20 3.567 3.840 -4.259
138 H MET 21 H MET 21 1.317 3.859 -4.180
139 HA MET 21 HA MET 21 0.040 4.025 -1.563
140 1HB MET 21 2HB MET 21 -1.136 3.787 -4.336
141 2HB MET 21 1HB MET 21 -2.074 3.941 -2.857
142 1HG MET 21 2HG MET 21 -1.080 6.126 -2.443
143 2HG MET 21 1HG MET 21 -0.121 5.972 -3.913
144 1HE MET 21 1HE MET 21 -2.804 6.094 -6.718
145 2HE MET 21 2HE MET 21 -2.297 4.602 -5.925
146 3HE MET 21 3HE MET 21 -1.108 5.849 -6.301
147 H CYS 22 H CYS 22 -0.736 2.339 -0.467
148 HA CYS 22 HA CYS 22 -0.661 -0.304 -1.771
149 1HB CYS 22 2HB CYS 22 -0.325 -1.192 0.581
150 2HB CYS 22 1HB CYS 22 1.030 -0.294 -0.098
151 H CYS 23 H CYS 23 -2.891 0.456 -2.411
152 HA CYS 23 HA CYS 23 -4.960 0.747 -0.543
153 1HB CYS 23 2HB CYS 23 -5.035 -0.172 -3.422
154 2HB CYS 23 1HB CYS 23 -6.464 0.218 -2.473
155 H LYS 24 H LYS 24 -6.107 -1.659 -2.529
156 HA LYS 24 HA LYS 24 -6.736 -3.399 -0.445
157 1HB LYS 24 2HB LYS 24 -7.222 -5.045 -2.349
158 2HB LYS 24 1HB LYS 24 -8.117 -3.534 -2.324
159 1HG LYS 24 2HG LYS 24 -7.500 -3.932 -4.565
160 2HG LYS 24 1HG LYS 24 -6.461 -2.634 -3.978
161 1HD LYS 24 2HD LYS 24 -4.661 -4.263 -3.603
162 2HD LYS 24 1HD LYS 24 -5.702 -5.546 -4.222
163 1HE LYS 24 2HE LYS 24 -4.778 -3.120 -5.758
164 2HE LYS 24 1HE LYS 24 -4.134 -4.753 -5.925
165 1HZ LYS 24 1HZ LYS 24 -6.911 -3.893 -6.535
166 2HZ LYS 24 2HZ LYS 24 -6.348 -5.485 -6.632
167 3HZ LYS 24 3HZ LYS 24 -5.720 -4.302 -7.665
168 H THR 25 H THR 25 -6.025 -5.511 0.050
169 HA THR 25 HA THR 25 -3.726 -6.709 -1.075
170 HB THR 25 HB THR 25 -2.507 -4.885 -0.022
171 HG1 THR 25 1HG THR 25 -2.267 -7.424 1.237
172 1HG2 THR 25 1HG2 THR 25 -2.544 -5.025 2.616
173 2HG2 THR 25 2HG2 THR 25 -4.173 -5.635 2.332
174 3HG2 THR 25 3HG2 THR 25 -3.713 -4.039 1.738
Start of MODEL 15
1 1H ASP 1 1HT ASP 1 -11.938 -4.041 4.049
2 2H ASP 1 2HT ASP 1 -12.131 -3.336 2.524
3 3H ASP 1 3HT ASP 1 -11.248 -2.532 3.720
4 HA ASP 1 HA ASP 1 -9.398 -3.733 3.412
5 1HB ASP 1 2HB ASP 1 -9.457 -6.130 2.795
6 2HB ASP 1 1HB ASP 1 -10.463 -5.786 4.198
7 H THR 2 H THR 2 -9.482 -5.788 1.072
8 HA THR 2 HA THR 2 -8.455 -4.212 -0.933
9 HB THR 2 HB THR 2 -9.979 -6.796 -1.294
10 HG1 THR 2 1HG THR 2 -8.311 -7.638 -0.308
11 1HG2 THR 2 1HG2 THR 2 -7.733 -5.811 -3.028
12 2HG2 THR 2 2HG2 THR 2 -9.402 -5.335 -3.347
13 3HG2 THR 2 3HG2 THR 2 -8.949 -7.040 -3.378
14 H HIS 3 H HIS 3 -11.812 -5.252 -0.498
15 HA HIS 3 HA HIS 3 -12.943 -4.397 -2.850
16 1HB HIS 3 2HB HIS 3 -14.127 -4.253 -0.073
17 2HB HIS 3 1HB HIS 3 -15.050 -4.107 -1.565
18 HD1 HIS 3 1HD HIS 3 -12.538 -6.659 -0.242
19 HD2 HIS 3 2HD HIS 3 -16.243 -6.456 -2.113
20 HE1 HIS 3 1HE HIS 3 -13.265 -9.046 -0.555
21 HE2 HIS 3 2HE HIS 3 -15.543 -8.896 -1.621
22 H PHE 4 H PHE 4 -12.568 -2.438 0.112
23 HA PHE 4 HA PHE 4 -12.423 -0.043 -1.547
24 1HB PHE 4 2HB PHE 4 -14.816 -0.293 -0.976
25 2HB PHE 4 1HB PHE 4 -14.397 -0.303 0.733
26 HD1 PHE 4 1HD PHE 4 -15.223 1.622 1.678
27 HD2 PHE 4 2HD PHE 4 -13.247 1.856 -2.085
28 HE1 PHE 4 1HE PHE 4 -15.409 4.074 1.738
29 HE2 PHE 4 2HE PHE 4 -13.428 4.310 -2.031
30 HZ PHE 4 HZ PHE 4 -14.510 5.421 -0.119
31 HA PRO 5 HA PRO 5 -9.557 -0.005 2.100
32 1HB PRO 5 2HB PRO 5 -7.228 0.118 0.782
33 2HB PRO 5 1HB PRO 5 -8.074 -1.417 1.021
34 1HG PRO 5 2HG PRO 5 -7.966 0.333 -1.402
35 2HG PRO 5 1HG PRO 5 -7.883 -1.434 -1.292
36 1HD PRO 5 2HD PRO 5 -10.157 -0.018 -1.938
37 2HD PRO 5 1HD PRO 5 -10.155 -1.652 -1.246
38 H ILE 6 H ILE 6 -7.183 1.523 1.572
39 HA ILE 6 HA ILE 6 -8.219 4.166 0.836
40 HB ILE 6 HB ILE 6 -6.988 5.151 2.778
41 1HG1 ILE 6 2HG1 ILE 6 -6.880 2.261 3.681
42 2HG1 ILE 6 1HG1 ILE 6 -5.497 3.264 3.255
43 1HG2 ILE 6 1HG2 ILE 6 -8.873 3.563 4.248
44 2HG2 ILE 6 2HG2 ILE 6 -9.524 3.965 2.660
45 3HG2 ILE 6 3HG2 ILE 6 -8.985 5.248 3.742
46 1HD1 ILE 6 1HD1 ILE 6 -6.731 2.942 5.773
47 2HD1 ILE 6 2HD1 ILE 6 -6.986 4.610 5.262
48 3HD1 ILE 6 3HD1 ILE 6 -5.352 3.954 5.346
49 H CYS 7 H CYS 7 -5.443 2.120 1.532
50 HA CYS 7 HA CYS 7 -3.316 2.073 0.761
51 1HB CYS 7 2HB CYS 7 -4.672 1.944 -1.399
52 2HB CYS 7 1HB CYS 7 -4.288 3.649 -1.617
53 H ILE 8 H ILE 8 -3.505 3.900 2.634
54 HA ILE 8 HA ILE 8 -2.946 6.566 2.041
55 HB ILE 8 HB ILE 8 -1.957 6.712 4.289
56 1HG1 ILE 8 2HG1 ILE 8 -2.309 3.702 4.302
57 2HG1 ILE 8 1HG1 ILE 8 -0.777 4.566 4.315
58 1HG2 ILE 8 1HG2 ILE 8 -4.583 5.470 3.745
59 2HG2 ILE 8 2HG2 ILE 8 -4.188 6.993 4.542
60 3HG2 ILE 8 3HG2 ILE 8 -4.040 5.473 5.423
61 1HD1 ILE 8 1HD1 ILE 8 -1.554 5.596 6.502
62 2HD1 ILE 8 2HD1 ILE 8 -1.128 3.885 6.523
63 3HD1 ILE 8 3HD1 ILE 8 -2.822 4.373 6.496
64 H PHE 9 H PHE 9 -1.038 7.758 1.980
65 HA PHE 9 HA PHE 9 1.023 6.785 0.410
66 1HB PHE 9 2HB PHE 9 0.542 9.192 0.793
67 2HB PHE 9 1HB PHE 9 1.199 9.045 2.420
68 HD1 PHE 9 1HD PHE 9 2.314 8.014 -1.002
69 HD2 PHE 9 2HD PHE 9 3.257 10.007 2.642
70 HE1 PHE 9 1HE PHE 9 4.562 8.522 -1.862
71 HE2 PHE 9 2HE PHE 9 5.507 10.515 1.786
72 HZ PHE 9 HZ PHE 9 6.163 9.772 -0.469
73 H CYS 10 H CYS 10 2.770 5.589 0.774
74 HA CYS 10 HA CYS 10 4.136 5.489 3.277
75 1HB CYS 10 2HB CYS 10 2.697 3.983 4.181
76 2HB CYS 10 1HB CYS 10 2.097 3.459 2.614
77 H CYS 11 H CYS 11 6.204 4.913 2.975
78 HA CYS 11 HA CYS 11 7.048 4.212 0.299
79 1HB CYS 11 2HB CYS 11 8.288 5.919 1.511
80 2HB CYS 11 1HB CYS 11 8.636 4.780 2.809
81 H GLY 12 H GLY 12 7.692 2.260 -0.399
82 1HA GLY 12 2HA GLY 12 7.356 -0.040 1.275
83 2HA GLY 12 1HA GLY 12 7.962 -0.035 -0.379
84 H CYS 13 H CYS 13 8.734 -0.230 2.908
85 HA CYS 13 HA CYS 13 11.455 0.548 2.916
86 1HB CYS 13 2HB CYS 13 11.554 -0.399 5.103
87 2HB CYS 13 1HB CYS 13 9.946 0.291 4.934
88 H CYS 14 H CYS 14 9.936 -2.606 2.965
89 HA CYS 14 HA CYS 14 12.533 -3.794 2.334
90 1HB CYS 14 2HB CYS 14 10.283 -5.083 3.839
91 2HB CYS 14 1HB CYS 14 12.016 -5.417 3.930
92 H HIS 15 H HIS 15 9.075 -4.792 2.143
93 HA HIS 15 HA HIS 15 9.445 -6.757 0.211
94 1HB HIS 15 2HB HIS 15 7.044 -4.942 0.578
95 2HB HIS 15 1HB HIS 15 7.048 -6.432 -0.357
96 HD1 HIS 15 1HD HIS 15 5.024 -6.671 1.615
97 HD2 HIS 15 2HD HIS 15 8.991 -7.268 2.699
98 HE1 HIS 15 1HE HIS 15 4.945 -7.996 3.750
99 HE2 HIS 15 2HE HIS 15 7.353 -8.234 4.452
100 H ARG 16 H ARG 16 7.892 -3.669 -0.551
101 HA ARG 16 HA ARG 16 9.138 -3.693 -3.194
102 1HB ARG 16 2HB ARG 16 6.863 -2.202 -1.930
103 2HB ARG 16 1HB ARG 16 7.664 -1.509 -3.329
104 1HG ARG 16 2HG ARG 16 5.685 -2.728 -3.981
105 2HG ARG 16 1HG ARG 16 7.132 -3.492 -4.631
106 1HD ARG 16 2HD ARG 16 5.871 -4.410 -2.064
107 2HD ARG 16 1HD ARG 16 5.325 -5.007 -3.630
108 HE ARG 16 HE ARG 16 8.119 -5.290 -3.436
109 1HH1 ARG 16 1HH1 ARG 16 5.173 -6.628 -2.145
110 2HH1 ARG 16 2HH1 ARG 16 5.861 -8.188 -1.842
111 1HH2 ARG 16 1HH2 ARG 16 9.035 -7.342 -3.039
112 2HH2 ARG 16 2HH2 ARG 16 8.057 -8.592 -2.347
113 H SER 17 H SER 17 11.196 -2.880 -3.129
114 HA SER 17 HA SER 17 12.001 -0.963 -1.165
115 1HB SER 17 2HB SER 17 13.579 -2.623 -2.031
116 2HB SER 17 1HB SER 17 13.440 -1.932 -3.647
117 HG SER 17 HG SER 17 15.170 -0.911 -2.894
118 H LYS 18 H LYS 18 9.937 0.290 -2.230
119 HA LYS 18 HA LYS 18 11.177 2.580 -3.507
120 1HB LYS 18 2HB LYS 18 9.362 2.701 -5.261
121 2HB LYS 18 1HB LYS 18 10.584 1.463 -5.502
122 1HG LYS 18 2HG LYS 18 8.006 0.802 -4.139
123 2HG LYS 18 1HG LYS 18 8.102 0.888 -5.899
124 1HD LYS 18 2HD LYS 18 9.863 -0.836 -4.157
125 2HD LYS 18 1HD LYS 18 8.431 -1.405 -5.017
126 1HE LYS 18 2HE LYS 18 10.893 -0.206 -6.283
127 2HE LYS 18 1HE LYS 18 10.486 -1.921 -6.245
128 1HZ LYS 18 1HZ LYS 18 8.795 -1.644 -7.752
129 2HZ LYS 18 2HZ LYS 18 9.908 -0.501 -8.315
130 3HZ LYS 18 3HZ LYS 18 8.576 -0.004 -7.397
131 H CYS 19 H CYS 19 10.301 4.472 -2.882
132 HA CYS 19 HA CYS 19 8.254 4.429 -0.875
133 1HB CYS 19 2HB CYS 19 9.706 6.705 -2.233
134 2HB CYS 19 1HB CYS 19 8.516 6.935 -0.956
135 H GLY 20 H GLY 20 6.117 4.829 -1.077
136 1HA GLY 20 2HA GLY 20 4.979 6.383 -3.161
137 2HA GLY 20 1HA GLY 20 4.825 4.674 -3.541
138 H MET 21 H MET 21 2.701 4.288 -3.237
139 HA MET 21 HA MET 21 1.548 5.044 -0.633
140 1HB MET 21 2HB MET 21 0.144 4.541 -3.265
141 2HB MET 21 1HB MET 21 -0.658 4.913 -1.747
142 1HG MET 21 2HG MET 21 0.368 7.098 -1.698
143 2HG MET 21 1HG MET 21 1.282 6.729 -3.159
144 1HE MET 21 1HE MET 21 -3.020 7.674 -2.470
145 2HE MET 21 2HE MET 21 -2.057 6.464 -1.621
146 3HE MET 21 3HE MET 21 -2.997 6.006 -3.042
147 H CYS 22 H CYS 22 1.244 3.387 0.727
148 HA CYS 22 HA CYS 22 1.294 0.672 -0.326
149 1HB CYS 22 2HB CYS 22 1.293 1.697 2.521
150 2HB CYS 22 1HB CYS 22 1.389 -0.002 2.069
151 H CYS 23 H CYS 23 -0.512 -0.317 -0.869
152 HA CYS 23 HA CYS 23 -3.063 0.670 0.054
153 1HB CYS 23 2HB CYS 23 -2.370 -1.571 -1.856
154 2HB CYS 23 1HB CYS 23 -4.001 -0.997 -1.526
155 H LYS 24 H LYS 24 -3.670 -2.474 -0.455
156 HA LYS 24 HA LYS 24 -4.401 -3.048 2.159
157 1HB LYS 24 2HB LYS 24 -4.284 -5.521 1.205
158 2HB LYS 24 1HB LYS 24 -5.538 -4.393 0.713
159 1HG LYS 24 2HG LYS 24 -4.702 -5.527 -1.221
160 2HG LYS 24 1HG LYS 24 -4.199 -3.839 -1.294
161 1HD LYS 24 2HD LYS 24 -1.987 -4.514 -0.401
162 2HD LYS 24 1HD LYS 24 -2.509 -6.199 -0.470
163 1HE LYS 24 2HE LYS 24 -2.860 -5.962 -2.895
164 2HE LYS 24 1HE LYS 24 -2.278 -4.300 -2.802
165 1HZ LYS 24 1HZ LYS 24 -0.409 -5.458 -3.436
166 2HZ LYS 24 2HZ LYS 24 -0.770 -6.809 -2.486
167 3HZ LYS 24 3HZ LYS 24 -0.204 -5.392 -1.758
168 H THR 25 H THR 25 -1.366 -3.633 0.508
169 HA THR 25 HA THR 25 0.085 -3.880 2.904
170 HB THR 25 HB THR 25 -0.964 -6.084 3.082
171 HG1 THR 25 1HG THR 25 1.337 -5.709 3.626
172 1HG2 THR 25 1HG2 THR 25 -1.469 -7.140 1.173
173 2HG2 THR 25 2HG2 THR 25 0.222 -7.638 1.129
174 3HG2 THR 25 3HG2 THR 25 -0.299 -6.200 0.251
Start of MODEL 16
1 1H ASP 1 1HT ASP 1 -9.062 -9.845 0.462
2 2H ASP 1 2HT ASP 1 -7.931 -10.546 1.507
3 3H ASP 1 3HT ASP 1 -7.461 -10.054 -0.041
4 HA ASP 1 HA ASP 1 -7.332 -8.595 2.299
5 1HB ASP 1 2HB ASP 1 -6.416 -6.875 0.753
6 2HB ASP 1 1HB ASP 1 -5.759 -8.480 0.452
7 H THR 2 H THR 2 -7.934 -6.020 0.633
8 HA THR 2 HA THR 2 -10.816 -5.918 1.243
9 HB THR 2 HB THR 2 -8.801 -3.714 1.731
10 HG1 THR 2 1HG THR 2 -8.730 -4.451 3.716
11 1HG2 THR 2 1HG2 THR 2 -11.780 -3.839 2.218
12 2HG2 THR 2 2HG2 THR 2 -10.936 -2.782 1.086
13 3HG2 THR 2 3HG2 THR 2 -10.715 -2.570 2.822
14 H HIS 3 H HIS 3 -12.100 -5.084 -0.286
15 HA HIS 3 HA HIS 3 -11.085 -4.576 -2.881
16 1HB HIS 3 2HB HIS 3 -13.427 -4.005 -3.446
17 2HB HIS 3 1HB HIS 3 -13.299 -5.530 -2.578
18 HD1 HIS 3 1HD HIS 3 -13.887 -1.885 -1.621
19 HD2 HIS 3 2HD HIS 3 -15.175 -5.714 -0.652
20 HE1 HIS 3 1HE HIS 3 -15.656 -1.573 0.140
21 HE2 HIS 3 2HE HIS 3 -16.487 -3.898 0.641
22 H PHE 4 H PHE 4 -11.920 -2.538 -0.183
23 HA PHE 4 HA PHE 4 -10.837 -0.236 -1.615
24 1HB PHE 4 2HB PHE 4 -13.294 -0.127 -1.906
25 2HB PHE 4 1HB PHE 4 -13.491 -0.160 -0.159
26 HD1 PHE 4 1HD PHE 4 -14.298 1.882 0.510
27 HD2 PHE 4 2HD PHE 4 -11.158 1.749 -2.358
28 HE1 PHE 4 1HE PHE 4 -14.140 4.336 0.575
29 HE2 PHE 4 2HE PHE 4 -10.994 4.201 -2.299
30 HZ PHE 4 HZ PHE 4 -12.486 5.499 -0.830
31 HA PRO 5 HA PRO 5 -9.282 -0.761 2.754
32 1HB PRO 5 2HB PRO 5 -6.719 -0.034 1.520
33 2HB PRO 5 1HB PRO 5 -7.124 -1.427 2.525
34 1HG PRO 5 2HG PRO 5 -6.628 -1.641 -0.120
35 2HG PRO 5 1HG PRO 5 -7.770 -2.702 0.726
36 1HD PRO 5 2HD PRO 5 -8.309 -0.349 -1.034
37 2HD PRO 5 1HD PRO 5 -9.192 -1.884 -0.897
38 H ILE 6 H ILE 6 -7.008 0.916 3.227
39 HA ILE 6 HA ILE 6 -8.372 3.462 3.469
40 HB ILE 6 HB ILE 6 -6.364 4.104 4.827
41 1HG1 ILE 6 2HG1 ILE 6 -5.639 1.202 4.352
42 2HG1 ILE 6 1HG1 ILE 6 -4.723 2.608 3.821
43 1HG2 ILE 6 1HG2 ILE 6 -7.661 3.454 6.504
44 2HG2 ILE 6 2HG2 ILE 6 -7.070 1.802 6.330
45 3HG2 ILE 6 3HG2 ILE 6 -8.493 2.328 5.432
46 1HD1 ILE 6 1HD1 ILE 6 -5.257 2.065 6.720
47 2HD1 ILE 6 2HD1 ILE 6 -4.038 3.117 6.001
48 3HD1 ILE 6 3HD1 ILE 6 -3.882 1.366 5.866
49 H CYS 7 H CYS 7 -5.611 2.093 1.787
50 HA CYS 7 HA CYS 7 -4.315 2.854 0.090
51 1HB CYS 7 2HB CYS 7 -6.564 4.849 -0.168
52 2HB CYS 7 1HB CYS 7 -5.226 4.743 -1.305
53 H ILE 8 H ILE 8 -3.438 3.558 2.545
54 HA ILE 8 HA ILE 8 -2.869 6.386 2.663
55 HB ILE 8 HB ILE 8 -1.497 5.819 4.637
56 1HG1 ILE 8 2HG1 ILE 8 -2.423 2.984 4.120
57 2HG1 ILE 8 1HG1 ILE 8 -0.784 3.570 3.859
58 1HG2 ILE 8 1HG2 ILE 8 -4.306 4.743 4.545
59 2HG2 ILE 8 2HG2 ILE 8 -3.781 6.359 5.018
60 3HG2 ILE 8 3HG2 ILE 8 -3.393 4.973 6.037
61 1HD1 ILE 8 1HD1 ILE 8 -0.280 3.524 6.051
62 2HD1 ILE 8 2HD1 ILE 8 -1.582 2.334 6.092
63 3HD1 ILE 8 3HD1 ILE 8 -1.902 4.008 6.548
64 H PHE 9 H PHE 9 -0.895 7.375 2.415
65 HA PHE 9 HA PHE 9 0.828 6.329 0.419
66 1HB PHE 9 2HB PHE 9 0.476 8.735 0.677
67 2HB PHE 9 1HB PHE 9 1.181 8.686 2.289
68 HD1 PHE 9 1HD PHE 9 2.219 7.367 -1.053
69 HD2 PHE 9 2HD PHE 9 3.215 9.723 2.348
70 HE1 PHE 9 1HE PHE 9 4.442 7.807 -2.013
71 HE2 PHE 9 2HE PHE 9 5.438 10.168 1.394
72 HZ PHE 9 HZ PHE 9 6.053 9.211 -0.789
73 H CYS 10 H CYS 10 2.779 5.311 0.577
74 HA CYS 10 HA CYS 10 4.353 5.263 2.939
75 1HB CYS 10 2HB CYS 10 3.594 3.472 4.043
76 2HB CYS 10 1HB CYS 10 2.211 3.458 2.957
77 H CYS 11 H CYS 11 6.371 4.261 2.631
78 HA CYS 11 HA CYS 11 6.847 3.321 -0.121
79 1HB CYS 11 2HB CYS 11 7.811 5.540 0.183
80 2HB CYS 11 1HB CYS 11 8.676 4.990 1.614
81 H GLY 12 H GLY 12 7.678 1.345 -0.297
82 1HA GLY 12 2HA GLY 12 8.302 -0.212 2.004
83 2HA GLY 12 1HA GLY 12 8.537 -0.697 0.329
84 H CYS 13 H CYS 13 10.057 -0.043 3.158
85 HA CYS 13 HA CYS 13 12.410 1.326 2.420
86 1HB CYS 13 2HB CYS 13 12.251 1.284 4.703
87 2HB CYS 13 1HB CYS 13 11.503 -0.309 4.726
88 H CYS 14 H CYS 14 12.255 -1.906 3.565
89 HA CYS 14 HA CYS 14 14.586 -2.635 2.008
90 1HB CYS 14 2HB CYS 14 13.780 -4.494 4.048
91 2HB CYS 14 1HB CYS 14 15.226 -3.487 3.968
92 H HIS 15 H HIS 15 11.342 -3.878 2.826
93 HA HIS 15 HA HIS 15 11.520 -6.252 1.322
94 1HB HIS 15 2HB HIS 15 9.715 -5.748 2.981
95 2HB HIS 15 1HB HIS 15 9.041 -4.585 1.847
96 HD1 HIS 15 1HD HIS 15 7.000 -6.452 2.415
97 HD2 HIS 15 2HD HIS 15 10.005 -7.516 -0.251
98 HE1 HIS 15 1HE HIS 15 6.062 -8.357 1.070
99 HE2 HIS 15 2HE HIS 15 7.930 -9.044 -0.473
100 H ARG 16 H ARG 16 9.186 -3.831 0.310
101 HA ARG 16 HA ARG 16 10.120 -4.131 -2.438
102 1HB ARG 16 2HB ARG 16 8.043 -2.951 -3.072
103 2HB ARG 16 1HB ARG 16 7.724 -4.391 -2.120
104 1HG ARG 16 2HG ARG 16 7.826 -1.658 -0.884
105 2HG ARG 16 1HG ARG 16 6.356 -2.312 -1.607
106 1HD ARG 16 2HD ARG 16 7.929 -3.584 0.631
107 2HD ARG 16 1HD ARG 16 6.438 -2.664 0.823
108 HE ARG 16 HE ARG 16 6.642 -5.386 0.136
109 1HH1 ARG 16 1HH1 ARG 16 4.834 -2.519 -0.687
110 2HH1 ARG 16 2HH1 ARG 16 3.431 -3.395 -1.197
111 1HH2 ARG 16 1HH2 ARG 16 4.798 -6.544 -0.536
112 2HH2 ARG 16 2HH2 ARG 16 3.411 -5.682 -1.114
113 H SER 17 H SER 17 11.848 -2.843 -2.777
114 HA SER 17 HA SER 17 12.262 -0.331 -1.534
115 1HB SER 17 2HB SER 17 14.163 -0.111 -3.100
116 2HB SER 17 1HB SER 17 14.138 -1.691 -2.318
117 HG SER 17 HG SER 17 12.710 -1.903 -4.523
118 H LYS 18 H LYS 18 9.984 0.351 -2.163
119 HA LYS 18 HA LYS 18 10.221 2.138 -4.458
120 1HB LYS 18 2HB LYS 18 8.046 1.469 -5.392
121 2HB LYS 18 1HB LYS 18 9.219 0.159 -5.441
122 1HG LYS 18 2HG LYS 18 8.190 -0.835 -3.458
123 2HG LYS 18 1HG LYS 18 7.009 0.476 -3.420
124 1HD LYS 18 2HD LYS 18 6.203 -0.195 -5.636
125 2HD LYS 18 1HD LYS 18 7.379 -1.511 -5.663
126 1HE LYS 18 2HE LYS 18 5.175 -2.328 -5.026
127 2HE LYS 18 1HE LYS 18 6.319 -2.500 -3.696
128 1HZ LYS 18 1HZ LYS 18 4.112 -0.555 -3.982
129 2HZ LYS 18 2HZ LYS 18 5.391 -0.277 -2.909
130 3HZ LYS 18 3HZ LYS 18 4.409 -1.641 -2.718
131 H CYS 19 H CYS 19 9.119 4.032 -4.264
132 HA CYS 19 HA CYS 19 7.609 4.413 -1.767
133 1HB CYS 19 2HB CYS 19 9.079 6.389 -3.522
134 2HB CYS 19 1HB CYS 19 8.065 6.860 -2.162
135 H GLY 20 H GLY 20 5.462 4.785 -1.873
136 1HA GLY 20 2HA GLY 20 4.134 6.412 -3.666
137 2HA GLY 20 1HA GLY 20 4.126 4.818 -4.402
138 H MET 21 H MET 21 1.937 4.478 -4.259
139 HA MET 21 HA MET 21 0.558 4.779 -1.733
140 1HB MET 21 2HB MET 21 -0.384 3.694 -4.393
141 2HB MET 21 1HB MET 21 -1.414 3.960 -2.992
142 1HG MET 21 2HG MET 21 -0.954 6.342 -3.081
143 2HG MET 21 1HG MET 21 0.129 6.095 -4.450
144 1HE MET 21 1HE MET 21 -1.314 3.891 -6.045
145 2HE MET 21 2HE MET 21 -0.794 5.315 -6.946
146 3HE MET 21 3HE MET 21 -2.440 4.709 -7.127
147 H CYS 22 H CYS 22 -0.093 3.179 -0.366
148 HA CYS 22 HA CYS 22 0.719 0.434 -1.066
149 1HB CYS 22 2HB CYS 22 0.816 1.725 1.668
150 2HB CYS 22 1HB CYS 22 1.271 0.065 1.295
151 H CYS 23 H CYS 23 -1.689 0.900 -1.841
152 HA CYS 23 HA CYS 23 -3.581 0.264 0.293
153 1HB CYS 23 2HB CYS 23 -3.920 2.117 -1.525
154 2HB CYS 23 1HB CYS 23 -4.364 0.762 -2.559
155 H LYS 24 H LYS 24 -3.101 -1.879 0.614
156 HA LYS 24 HA LYS 24 -2.570 -3.911 -1.089
157 1HB LYS 24 2HB LYS 24 -4.567 -4.168 1.164
158 2HB LYS 24 1HB LYS 24 -3.559 -5.442 0.496
159 1HG LYS 24 2HG LYS 24 -2.588 -3.032 2.017
160 2HG LYS 24 1HG LYS 24 -2.709 -4.678 2.637
161 1HD LYS 24 2HD LYS 24 -1.080 -5.422 0.960
162 2HD LYS 24 1HD LYS 24 -0.953 -3.768 0.359
163 1HE LYS 24 2HE LYS 24 0.897 -4.298 1.855
164 2HE LYS 24 1HE LYS 24 -0.126 -3.034 2.538
165 1HZ LYS 24 1HZ LYS 24 -0.721 -4.329 4.246
166 2HZ LYS 24 2HZ LYS 24 0.658 -5.229 3.862
167 3HZ LYS 24 3HZ LYS 24 -0.859 -5.725 3.299
168 H THR 25 H THR 25 -3.513 -4.847 -2.781
169 HA THR 25 HA THR 25 -6.350 -5.218 -2.969
170 HB THR 25 HB THR 25 -5.051 -3.316 -4.934
171 HG1 THR 25 1HG THR 25 -7.127 -2.864 -3.030
172 1HG2 THR 25 1HG2 THR 25 -6.656 -4.689 -6.080
173 2HG2 THR 25 2HG2 THR 25 -7.379 -3.102 -5.816
174 3HG2 THR 25 3HG2 THR 25 -7.839 -4.461 -4.792
Start of MODEL 17
1 1H ASP 1 1HT ASP 1 -8.119 -7.264 3.510
2 2H ASP 1 2HT ASP 1 -6.447 -7.051 3.654
3 3H ASP 1 3HT ASP 1 -7.079 -8.591 3.358
4 HA ASP 1 HA ASP 1 -6.257 -6.683 1.505
5 1HB ASP 1 2HB ASP 1 -6.018 -9.172 1.451
6 2HB ASP 1 1HB ASP 1 -7.741 -9.295 1.110
7 H THR 2 H THR 2 -8.297 -5.313 2.630
8 HA THR 2 HA THR 2 -10.820 -5.591 1.425
9 HB THR 2 HB THR 2 -11.201 -3.231 2.097
10 HG1 THR 2 1HG THR 2 -9.532 -2.087 3.054
11 1HG2 THR 2 1HG2 THR 2 -9.805 -4.759 4.288
12 2HG2 THR 2 2HG2 THR 2 -11.406 -5.185 3.683
13 3HG2 THR 2 3HG2 THR 2 -11.140 -3.616 4.443
14 H HIS 3 H HIS 3 -11.680 -4.864 -0.437
15 HA HIS 3 HA HIS 3 -9.919 -4.144 -2.555
16 1HB HIS 3 2HB HIS 3 -11.994 -4.033 -3.926
17 2HB HIS 3 1HB HIS 3 -11.801 -5.546 -3.052
18 HD1 HIS 3 1HD HIS 3 -14.532 -5.260 -3.847
19 HD2 HIS 3 2HD HIS 3 -13.160 -3.268 -0.467
20 HE1 HIS 3 1HE HIS 3 -16.584 -4.753 -2.484
21 HE2 HIS 3 2HE HIS 3 -15.726 -3.594 -0.419
22 H PHE 4 H PHE 4 -11.920 -2.302 -0.382
23 HA PHE 4 HA PHE 4 -11.111 0.132 -1.825
24 1HB PHE 4 2HB PHE 4 -13.495 -0.404 -2.288
25 2HB PHE 4 1HB PHE 4 -13.824 -0.303 -0.562
26 HD1 PHE 4 1HD PHE 4 -11.826 1.865 -2.852
27 HD2 PHE 4 2HD PHE 4 -15.118 1.551 -0.174
28 HE1 PHE 4 1HE PHE 4 -12.231 4.280 -3.074
29 HE2 PHE 4 2HE PHE 4 -15.530 3.966 -0.392
30 HZ PHE 4 HZ PHE 4 -14.086 5.335 -1.844
31 HA PRO 5 HA PRO 5 -10.216 0.409 2.778
32 1HB PRO 5 2HB PRO 5 -7.528 0.447 2.698
33 2HB PRO 5 1HB PRO 5 -8.438 -1.066 2.713
34 1HG PRO 5 2HG PRO 5 -7.146 0.346 0.419
35 2HG PRO 5 1HG PRO 5 -7.208 -1.389 0.777
36 1HD PRO 5 2HD PRO 5 -8.843 -0.121 -1.037
37 2HD PRO 5 1HD PRO 5 -9.251 -1.637 -0.214
38 H ILE 6 H ILE 6 -7.785 1.911 3.258
39 HA ILE 6 HA ILE 6 -8.689 4.541 2.334
40 HB ILE 6 HB ILE 6 -7.134 5.406 4.120
41 1HG1 ILE 6 2HG1 ILE 6 -7.052 2.469 4.846
42 2HG1 ILE 6 1HG1 ILE 6 -5.686 3.466 4.357
43 1HG2 ILE 6 1HG2 ILE 6 -9.728 4.506 4.256
44 2HG2 ILE 6 2HG2 ILE 6 -8.918 5.511 5.457
45 3HG2 ILE 6 3HG2 ILE 6 -8.972 3.760 5.664
46 1HD1 ILE 6 1HD1 ILE 6 -6.421 2.915 6.927
47 2HD1 ILE 6 2HD1 ILE 6 -7.115 4.516 6.669
48 3HD1 ILE 6 3HD1 ILE 6 -5.390 4.252 6.419
49 H CYS 7 H CYS 7 -5.987 2.350 2.341
50 HA CYS 7 HA CYS 7 -4.054 2.251 1.172
51 1HB CYS 7 2HB CYS 7 -5.689 2.586 -0.708
52 2HB CYS 7 1HB CYS 7 -5.297 4.301 -0.662
53 H ILE 8 H ILE 8 -3.614 3.676 3.320
54 HA ILE 8 HA ILE 8 -2.839 6.358 3.051
55 HB ILE 8 HB ILE 8 -1.538 6.083 5.063
56 1HG1 ILE 8 2HG1 ILE 8 -1.890 3.101 4.659
57 2HG1 ILE 8 1HG1 ILE 8 -0.387 3.992 4.454
58 1HG2 ILE 8 1HG2 ILE 8 -3.337 5.835 6.368
59 2HG2 ILE 8 2HG2 ILE 8 -3.657 4.204 5.776
60 3HG2 ILE 8 3HG2 ILE 8 -4.211 5.601 4.853
61 1HD1 ILE 8 1HD1 ILE 8 -0.091 4.273 6.713
62 2HD1 ILE 8 2HD1 ILE 8 -0.845 2.680 6.646
63 3HD1 ILE 8 3HD1 ILE 8 -1.808 4.095 7.070
64 H PHE 9 H PHE 9 -0.852 7.339 2.653
65 HA PHE 9 HA PHE 9 0.719 6.215 0.622
66 1HB PHE 9 2HB PHE 9 0.515 8.653 1.078
67 2HB PHE 9 1HB PHE 9 1.491 8.439 2.526
68 HD1 PHE 9 1HD PHE 9 3.489 9.521 2.172
69 HD2 PHE 9 2HD PHE 9 1.891 7.075 -0.922
70 HE1 PHE 9 1HE PHE 9 5.529 9.876 0.844
71 HE2 PHE 9 2HE PHE 9 3.930 7.423 -2.255
72 HZ PHE 9 HZ PHE 9 5.754 8.824 -1.372
73 H CYS 10 H CYS 10 1.948 4.452 0.844
74 HA CYS 10 HA CYS 10 3.542 4.153 3.299
75 1HB CYS 10 2HB CYS 10 2.171 2.156 1.539
76 2HB CYS 10 1HB CYS 10 3.593 1.669 2.450
77 H CYS 11 H CYS 11 5.671 3.132 3.030
78 HA CYS 11 HA CYS 11 6.799 3.578 0.346
79 1HB CYS 11 2HB CYS 11 7.927 4.391 3.017
80 2HB CYS 11 1HB CYS 11 8.949 4.200 1.601
81 H GLY 12 H GLY 12 7.899 1.917 -0.487
82 1HA GLY 12 2HA GLY 12 8.116 -0.552 0.938
83 2HA GLY 12 1HA GLY 12 8.747 -0.220 -0.671
84 H CYS 13 H CYS 13 9.355 0.047 2.752
85 HA CYS 13 HA CYS 13 11.866 1.236 2.780
86 1HB CYS 13 2HB CYS 13 10.983 1.107 4.898
87 2HB CYS 13 1HB CYS 13 10.341 -0.513 4.649
88 H CYS 14 H CYS 14 11.455 -1.996 3.822
89 HA CYS 14 HA CYS 14 14.119 -2.669 2.957
90 1HB CYS 14 2HB CYS 14 12.760 -4.598 4.610
91 2HB CYS 14 1HB CYS 14 14.174 -3.610 4.974
92 H HIS 15 H HIS 15 10.839 -4.105 2.762
93 HA HIS 15 HA HIS 15 11.575 -6.395 1.324
94 1HB HIS 15 2HB HIS 15 8.989 -4.821 1.151
95 2HB HIS 15 1HB HIS 15 9.220 -6.467 0.568
96 HD1 HIS 15 1HD HIS 15 10.287 -8.044 2.729
97 HD2 HIS 15 2HD HIS 15 7.736 -4.864 3.531
98 HE1 HIS 15 1HE HIS 15 9.341 -8.501 5.014
99 HE2 HIS 15 2HE HIS 15 7.867 -6.519 5.513
100 H ARG 16 H ARG 16 9.522 -4.162 -0.411
101 HA ARG 16 HA ARG 16 11.365 -4.279 -2.674
102 1HB ARG 16 2HB ARG 16 9.541 -3.325 -4.000
103 2HB ARG 16 1HB ARG 16 8.993 -4.753 -3.138
104 1HG ARG 16 2HG ARG 16 8.523 -1.976 -2.101
105 2HG ARG 16 1HG ARG 16 7.416 -2.773 -3.218
106 1HD ARG 16 2HD ARG 16 8.230 -3.792 -0.497
107 2HD ARG 16 1HD ARG 16 6.692 -3.030 -0.897
108 HE ARG 16 HE ARG 16 7.084 -5.234 -2.589
109 1HH1 ARG 16 1HH1 ARG 16 6.448 -4.510 0.760
110 2HH1 ARG 16 2HH1 ARG 16 5.609 -5.996 1.055
111 1HH2 ARG 16 1HH2 ARG 16 5.976 -7.191 -2.210
112 2HH2 ARG 16 2HH2 ARG 16 5.340 -7.519 -0.633
113 H SER 17 H SER 17 12.729 -2.622 -3.078
114 HA SER 17 HA SER 17 12.747 -0.327 -1.376
115 1HB SER 17 2HB SER 17 14.833 -1.314 -2.210
116 2HB SER 17 1HB SER 17 14.372 -0.911 -3.864
117 HG SER 17 HG SER 17 14.719 1.186 -3.473
118 H LYS 18 H LYS 18 10.356 -0.022 -2.278
119 HA LYS 18 HA LYS 18 10.520 2.320 -3.988
120 1HB LYS 18 2HB LYS 18 8.722 1.517 -5.500
121 2HB LYS 18 1HB LYS 18 10.217 0.606 -5.652
122 1HG LYS 18 2HG LYS 18 9.254 -1.163 -4.235
123 2HG LYS 18 1HG LYS 18 7.742 -0.256 -4.168
124 1HD LYS 18 2HD LYS 18 9.046 -1.301 -6.682
125 2HD LYS 18 1HD LYS 18 7.681 -2.050 -5.852
126 1HE LYS 18 2HE LYS 18 6.348 -0.031 -6.232
127 2HE LYS 18 1HE LYS 18 7.713 0.713 -7.064
128 1HZ LYS 18 1HZ LYS 18 7.498 -1.529 -8.448
129 2HZ LYS 18 2HZ LYS 18 6.649 -0.124 -8.853
130 3HZ LYS 18 3HZ LYS 18 5.880 -1.354 -7.982
131 H CYS 19 H CYS 19 9.235 3.878 -3.196
132 HA CYS 19 HA CYS 19 7.353 3.203 -1.108
133 1HB CYS 19 2HB CYS 19 8.805 5.207 -0.918
134 2HB CYS 19 1HB CYS 19 7.973 5.915 -2.301
135 H GLY 20 H GLY 20 5.169 3.214 -1.223
136 1HA GLY 20 2HA GLY 20 3.748 4.415 -3.419
137 2HA GLY 20 1HA GLY 20 3.800 2.661 -3.513
138 H MET 21 H MET 21 1.480 4.392 -3.174
139 HA MET 21 HA MET 21 0.577 4.405 -0.512
140 1HB MET 21 2HB MET 21 -1.044 4.276 -3.062
141 2HB MET 21 1HB MET 21 -1.682 4.677 -1.474
142 1HG MET 21 2HG MET 21 -1.406 6.718 -2.594
143 2HG MET 21 1HG MET 21 -0.071 6.615 -1.449
144 1HE MET 21 1HE MET 21 -0.404 4.713 -4.912
145 2HE MET 21 2HE MET 21 0.324 5.904 -5.990
146 3HE MET 21 3HE MET 21 -1.189 6.272 -5.162
147 H CYS 22 H CYS 22 0.313 2.703 0.747
148 HA CYS 22 HA CYS 22 -0.002 0.049 -0.269
149 1HB CYS 22 2HB CYS 22 -0.261 -0.520 2.189
150 2HB CYS 22 1HB CYS 22 1.246 0.271 1.738
151 H CYS 23 H CYS 23 -1.963 0.245 -1.483
152 HA CYS 23 HA CYS 23 -4.425 0.955 -0.263
153 1HB CYS 23 2HB CYS 23 -3.777 -0.508 -2.820
154 2HB CYS 23 1HB CYS 23 -5.426 -0.152 -2.317
155 H LYS 24 H LYS 24 -5.071 -1.908 -1.849
156 HA LYS 24 HA LYS 24 -6.280 -3.161 0.281
157 1HB LYS 24 2HB LYS 24 -6.464 -5.107 -1.088
158 2HB LYS 24 1HB LYS 24 -6.591 -3.710 -2.144
159 1HG LYS 24 2HG LYS 24 -4.131 -5.408 -1.766
160 2HG LYS 24 1HG LYS 24 -5.238 -5.480 -3.135
161 1HD LYS 24 2HD LYS 24 -3.614 -3.063 -2.336
162 2HD LYS 24 1HD LYS 24 -3.191 -4.190 -3.626
163 1HE LYS 24 2HE LYS 24 -5.689 -2.505 -3.507
164 2HE LYS 24 1HE LYS 24 -4.269 -2.165 -4.494
165 1HZ LYS 24 1HZ LYS 24 -5.617 -3.237 -5.981
166 2HZ LYS 24 2HZ LYS 24 -6.300 -4.260 -4.821
167 3HZ LYS 24 3HZ LYS 24 -4.732 -4.550 -5.383
168 H THR 25 H THR 25 -2.945 -3.469 -0.830
169 HA THR 25 HA THR 25 -2.192 -5.678 0.713
170 HB THR 25 HB THR 25 0.120 -4.875 0.476
171 HG1 THR 25 1HG THR 25 -0.384 -2.729 -1.093
172 1HG2 THR 25 1HG2 THR 25 -0.779 -4.211 -2.203
173 2HG2 THR 25 2HG2 THR 25 -1.618 -5.619 -1.552
174 3HG2 THR 25 3HG2 THR 25 0.144 -5.603 -1.638
Start of MODEL 18
1 1H ASP 1 1HT ASP 1 -9.122 -2.591 2.738
2 2H ASP 1 2HT ASP 1 -8.082 -2.972 4.015
3 3H ASP 1 3HT ASP 1 -9.745 -3.232 4.176
4 HA ASP 1 HA ASP 1 -7.828 -4.697 2.466
5 1HB ASP 1 2HB ASP 1 -9.742 -5.546 4.655
6 2HB ASP 1 1HB ASP 1 -8.675 -6.625 3.762
7 H THR 2 H THR 2 -9.780 -3.147 1.176
8 HA THR 2 HA THR 2 -11.461 -5.273 0.043
9 HB THR 2 HB THR 2 -13.350 -3.700 -0.189
10 HG1 THR 2 1HG THR 2 -11.785 -2.001 1.485
11 1HG2 THR 2 1HG2 THR 2 -13.948 -4.835 1.650
12 2HG2 THR 2 2HG2 THR 2 -13.455 -3.397 2.545
13 3HG2 THR 2 3HG2 THR 2 -12.328 -4.740 2.340
14 H HIS 3 H HIS 3 -12.779 -3.178 -1.650
15 HA HIS 3 HA HIS 3 -10.922 -3.266 -3.821
16 1HB HIS 3 2HB HIS 3 -13.590 -1.870 -3.559
17 2HB HIS 3 1HB HIS 3 -12.684 -2.031 -5.059
18 HD1 HIS 3 1HD HIS 3 -13.893 -4.472 -2.386
19 HD2 HIS 3 2HD HIS 3 -13.679 -4.068 -6.517
20 HE1 HIS 3 1HE HIS 3 -14.940 -6.559 -3.322
21 HE2 HIS 3 2HE HIS 3 -14.850 -6.268 -5.823
22 H PHE 4 H PHE 4 -12.247 -0.669 -1.792
23 HA PHE 4 HA PHE 4 -9.895 0.943 -2.403
24 1HB PHE 4 2HB PHE 4 -11.617 1.603 -4.063
25 2HB PHE 4 1HB PHE 4 -12.704 2.018 -2.743
26 HD1 PHE 4 1HD PHE 4 -12.954 4.278 -2.535
27 HD2 PHE 4 2HD PHE 4 -9.107 2.723 -3.484
28 HE1 PHE 4 1HE PHE 4 -12.025 6.556 -2.487
29 HE2 PHE 4 2HE PHE 4 -8.172 4.997 -3.435
30 HZ PHE 4 HZ PHE 4 -9.630 6.918 -2.936
31 HA PRO 5 HA PRO 5 -11.406 0.998 2.070
32 1HB PRO 5 2HB PRO 5 -8.996 0.278 3.137
33 2HB PRO 5 1HB PRO 5 -10.244 -0.886 2.676
34 1HG PRO 5 2HG PRO 5 -7.808 -0.022 1.163
35 2HG PRO 5 1HG PRO 5 -8.464 -1.654 1.387
36 1HD PRO 5 2HD PRO 5 -8.860 -0.270 -0.880
37 2HD PRO 5 1HD PRO 5 -10.102 -1.352 -0.217
38 H ILE 6 H ILE 6 -8.714 1.629 3.505
39 HA ILE 6 HA ILE 6 -8.964 4.480 3.263
40 HB ILE 6 HB ILE 6 -7.039 4.499 4.924
41 1HG1 ILE 6 2HG1 ILE 6 -6.529 2.017 4.198
42 2HG1 ILE 6 1HG1 ILE 6 -6.184 2.566 5.825
43 1HG2 ILE 6 1HG2 ILE 6 -8.465 4.015 6.768
44 2HG2 ILE 6 2HG2 ILE 6 -9.476 2.975 5.771
45 3HG2 ILE 6 3HG2 ILE 6 -9.448 4.714 5.482
46 1HD1 ILE 6 1HD1 ILE 6 -8.870 1.517 5.590
47 2HD1 ILE 6 2HD1 ILE 6 -7.566 1.055 6.683
48 3HD1 ILE 6 3HD1 ILE 6 -7.658 0.343 5.072
49 H CYS 7 H CYS 7 -6.719 2.002 2.249
50 HA CYS 7 HA CYS 7 -4.938 2.012 0.857
51 1HB CYS 7 2HB CYS 7 -6.303 4.521 -0.099
52 2HB CYS 7 1HB CYS 7 -4.877 3.845 -0.883
53 H ILE 8 H ILE 8 -4.276 2.704 3.310
54 HA ILE 8 HA ILE 8 -3.068 5.146 3.803
55 HB ILE 8 HB ILE 8 -1.678 4.005 5.450
56 1HG1 ILE 8 2HG1 ILE 8 -2.675 1.455 4.144
57 2HG1 ILE 8 1HG1 ILE 8 -1.023 2.062 4.110
58 1HG2 ILE 8 1HG2 ILE 8 -4.359 2.649 5.475
59 2HG2 ILE 8 2HG2 ILE 8 -4.179 4.382 5.760
60 3HG2 ILE 8 3HG2 ILE 8 -3.401 3.224 6.841
61 1HD1 ILE 8 1HD1 ILE 8 -2.544 0.975 6.454
62 2HD1 ILE 8 2HD1 ILE 8 -1.030 1.864 6.623
63 3HD1 ILE 8 3HD1 ILE 8 -1.069 0.352 5.718
64 H PHE 9 H PHE 9 -1.242 6.130 3.139
65 HA PHE 9 HA PHE 9 0.237 5.038 0.953
66 1HB PHE 9 2HB PHE 9 -0.159 7.444 1.125
67 2HB PHE 9 1HB PHE 9 0.737 7.504 2.638
68 HD1 PHE 9 1HD PHE 9 2.612 8.787 2.260
69 HD2 PHE 9 2HD PHE 9 1.524 5.827 -0.599
70 HE1 PHE 9 1HE PHE 9 4.686 9.233 1.014
71 HE2 PHE 9 2HE PHE 9 3.598 6.269 -1.850
72 HZ PHE 9 HZ PHE 9 5.181 7.975 -1.043
73 H CYS 10 H CYS 10 2.201 4.035 0.932
74 HA CYS 10 HA CYS 10 3.869 4.074 3.309
75 1HB CYS 10 2HB CYS 10 3.970 1.637 3.518
76 2HB CYS 10 1HB CYS 10 2.323 2.211 3.753
77 H CYS 11 H CYS 11 5.838 4.493 2.566
78 HA CYS 11 HA CYS 11 6.517 3.886 -0.168
79 1HB CYS 11 2HB CYS 11 7.217 6.016 0.872
80 2HB CYS 11 1HB CYS 11 8.226 5.118 2.002
81 H GLY 12 H GLY 12 7.652 2.203 -0.892
82 1HA GLY 12 2HA GLY 12 8.252 0.003 0.767
83 2HA GLY 12 1HA GLY 12 8.812 0.219 -0.888
84 H CYS 13 H CYS 13 9.599 0.337 2.408
85 HA CYS 13 HA CYS 13 11.876 1.964 2.457
86 1HB CYS 13 2HB CYS 13 11.157 1.485 4.588
87 2HB CYS 13 1HB CYS 13 10.764 -0.186 4.196
88 H CYS 14 H CYS 14 12.029 -1.386 3.152
89 HA CYS 14 HA CYS 14 14.696 -1.533 2.055
90 1HB CYS 14 2HB CYS 14 13.836 -3.790 3.610
91 2HB CYS 14 1HB CYS 14 15.064 -2.580 3.982
92 H HIS 15 H HIS 15 11.727 -3.565 2.048
93 HA HIS 15 HA HIS 15 12.690 -5.518 0.290
94 1HB HIS 15 2HB HIS 15 9.860 -4.464 0.575
95 2HB HIS 15 1HB HIS 15 10.303 -5.957 -0.248
96 HD1 HIS 15 1HD HIS 15 11.007 -4.513 3.215
97 HD2 HIS 15 2HD HIS 15 9.850 -8.056 1.378
98 HE1 HIS 15 1HE HIS 15 10.691 -6.167 5.083
99 HE2 HIS 15 2HE HIS 15 10.058 -8.322 3.942
100 H ARG 16 H ARG 16 10.163 -3.320 -0.809
101 HA ARG 16 HA ARG 16 11.543 -3.041 -3.371
102 1HB ARG 16 2HB ARG 16 8.753 -2.459 -2.415
103 2HB ARG 16 1HB ARG 16 9.355 -1.714 -3.887
104 1HG ARG 16 2HG ARG 16 8.101 -3.672 -4.435
105 2HG ARG 16 1HG ARG 16 9.802 -3.948 -4.801
106 1HD ARG 16 2HD ARG 16 10.059 -5.205 -2.730
107 2HD ARG 16 1HD ARG 16 8.374 -4.895 -2.318
108 HE ARG 16 HE ARG 16 9.322 -6.971 -3.949
109 1HH1 ARG 16 1HH1 ARG 16 6.765 -4.602 -3.853
110 2HH1 ARG 16 2HH1 ARG 16 5.670 -5.559 -4.794
111 1HH2 ARG 16 1HH2 ARG 16 7.885 -8.234 -5.185
112 2HH2 ARG 16 2HH2 ARG 16 6.307 -7.623 -5.550
113 H SER 17 H SER 17 12.951 -1.370 -3.520
114 HA SER 17 HA SER 17 12.842 0.836 -1.685
115 1HB SER 17 2HB SER 17 14.785 1.696 -2.962
116 2HB SER 17 1HB SER 17 15.000 0.010 -2.491
117 HG SER 17 HG SER 17 14.866 -0.596 -4.530
118 H LYS 18 H LYS 18 10.441 0.964 -2.698
119 HA LYS 18 HA LYS 18 10.497 3.396 -4.303
120 1HB LYS 18 2HB LYS 18 8.815 2.496 -5.906
121 2HB LYS 18 1HB LYS 18 10.398 1.742 -6.035
122 1HG LYS 18 2HG LYS 18 9.547 -0.147 -4.662
123 2HG LYS 18 1HG LYS 18 7.946 0.593 -4.719
124 1HD LYS 18 2HD LYS 18 8.130 -1.135 -6.414
125 2HD LYS 18 1HD LYS 18 7.990 0.449 -7.176
126 1HE LYS 18 2HE LYS 18 9.683 -0.943 -8.273
127 2HE LYS 18 1HE LYS 18 10.390 0.505 -7.555
128 1HZ LYS 18 1HZ LYS 18 10.747 -1.119 -5.548
129 2HZ LYS 18 2HZ LYS 18 11.844 -1.074 -6.833
130 3HZ LYS 18 3HZ LYS 18 10.682 -2.300 -6.758
131 H CYS 19 H CYS 19 8.953 4.808 -3.724
132 HA CYS 19 HA CYS 19 7.202 4.186 -1.548
133 1HB CYS 19 2HB CYS 19 7.345 6.641 -3.312
134 2HB CYS 19 1HB CYS 19 6.399 6.513 -1.834
135 H GLY 20 H GLY 20 4.992 3.851 -1.538
136 1HA GLY 20 2HA GLY 20 3.385 4.291 -3.871
137 2HA GLY 20 1HA GLY 20 3.779 2.593 -3.673
138 H MET 21 H MET 21 1.228 4.236 -3.465
139 HA MET 21 HA MET 21 0.394 4.091 -0.744
140 1HB MET 21 2HB MET 21 -1.263 4.248 -3.271
141 2HB MET 21 1HB MET 21 -1.880 4.471 -1.642
142 1HG MET 21 2HG MET 21 -1.604 6.620 -2.562
143 2HG MET 21 1HG MET 21 -0.288 6.397 -1.410
144 1HE MET 21 1HE MET 21 -0.849 6.814 -5.582
145 2HE MET 21 2HE MET 21 -1.173 5.252 -4.830
146 3HE MET 21 3HE MET 21 0.278 5.477 -5.808
147 H CYS 22 H CYS 22 -0.540 2.461 0.365
148 HA CYS 22 HA CYS 22 -1.121 -0.019 -1.113
149 1HB CYS 22 2HB CYS 22 -0.532 -1.152 1.123
150 2HB CYS 22 1HB CYS 22 0.790 -0.548 0.131
151 H CYS 23 H CYS 23 -3.146 -0.695 -1.008
152 HA CYS 23 HA CYS 23 -4.937 0.494 0.969
153 1HB CYS 23 2HB CYS 23 -5.638 -1.220 -1.419
154 2HB CYS 23 1HB CYS 23 -6.750 -0.269 -0.443
155 H LYS 24 H LYS 24 -4.568 -2.754 -0.469
156 HA LYS 24 HA LYS 24 -5.759 -3.960 1.859
157 1HB LYS 24 2HB LYS 24 -5.302 -6.108 0.638
158 2HB LYS 24 1HB LYS 24 -6.316 -4.961 -0.224
159 1HG LYS 24 2HG LYS 24 -4.908 -5.710 -1.880
160 2HG LYS 24 1HG LYS 24 -4.105 -4.231 -1.358
161 1HD LYS 24 2HD LYS 24 -2.404 -5.856 -1.564
162 2HD LYS 24 1HD LYS 24 -2.701 -5.688 0.166
163 1HE LYS 24 2HE LYS 24 -3.867 -7.849 -1.586
164 2HE LYS 24 1HE LYS 24 -2.444 -8.041 -0.566
165 1HZ LYS 24 1HZ LYS 24 -4.141 -7.176 1.241
166 2HZ LYS 24 2HZ LYS 24 -4.019 -8.814 0.843
167 3HZ LYS 24 3HZ LYS 24 -5.261 -7.875 0.181
168 H THR 25 H THR 25 -4.788 -5.118 3.451
169 HA THR 25 HA THR 25 -2.077 -4.533 4.042
170 HB THR 25 HB THR 25 -2.364 -6.053 5.972
171 HG1 THR 25 1HG THR 25 -4.673 -6.823 6.168
172 1HG2 THR 25 1HG2 THR 25 -4.679 -4.170 5.501
173 2HG2 THR 25 2HG2 THR 25 -3.103 -3.738 6.164
174 3HG2 THR 25 3HG2 THR 25 -4.179 -4.803 7.070
Start of MODEL 19
1 1H ASP 1 1HT ASP 1 -4.910 -6.952 -0.126
2 2H ASP 1 2HT ASP 1 -6.248 -6.021 0.325
3 3H ASP 1 3HT ASP 1 -5.195 -5.460 -0.873
4 HA ASP 1 HA ASP 1 -6.365 -6.435 -2.437
5 1HB ASP 1 2HB ASP 1 -6.573 -8.931 -2.399
6 2HB ASP 1 1HB ASP 1 -4.935 -8.347 -2.127
7 H THR 2 H THR 2 -7.468 -7.356 0.789
8 HA THR 2 HA THR 2 -10.247 -7.305 -0.189
9 HB THR 2 HB THR 2 -9.149 -8.541 2.346
10 HG1 THR 2 1HG THR 2 -9.786 -9.536 -0.205
11 1HG2 THR 2 1HG2 THR 2 -11.601 -9.612 2.055
12 2HG2 THR 2 2HG2 THR 2 -11.893 -8.011 1.374
13 3HG2 THR 2 3HG2 THR 2 -11.285 -8.171 3.022
14 H HIS 3 H HIS 3 -8.198 -6.293 2.522
15 HA HIS 3 HA HIS 3 -10.180 -4.585 3.669
16 1HB HIS 3 2HB HIS 3 -7.193 -4.708 4.144
17 2HB HIS 3 1HB HIS 3 -8.347 -3.827 5.140
18 HD1 HIS 3 1HD HIS 3 -10.419 -5.636 5.958
19 HD2 HIS 3 2HD HIS 3 -6.568 -7.053 5.302
20 HE1 HIS 3 1HE HIS 3 -10.271 -7.798 7.235
21 HE2 HIS 3 2HE HIS 3 -7.947 -8.662 6.786
22 H PHE 4 H PHE 4 -10.627 -3.481 1.557
23 HA PHE 4 HA PHE 4 -8.871 -1.832 0.207
24 1HB PHE 4 2HB PHE 4 -11.830 -1.674 0.682
25 2HB PHE 4 1HB PHE 4 -11.008 -0.394 -0.200
26 HD1 PHE 4 1HD PHE 4 -10.177 -4.009 -0.379
27 HD2 PHE 4 2HD PHE 4 -11.998 -0.675 -2.302
28 HE1 PHE 4 1HE PHE 4 -10.367 -5.312 -2.453
29 HE2 PHE 4 2HE PHE 4 -12.188 -1.975 -4.380
30 HZ PHE 4 HZ PHE 4 -11.373 -4.297 -4.459
31 HA PRO 5 HA PRO 5 -8.199 1.155 3.514
32 1HB PRO 5 2HB PRO 5 -5.761 1.929 2.761
33 2HB PRO 5 1HB PRO 5 -6.028 0.332 3.470
34 1HG PRO 5 2HG PRO 5 -5.604 1.099 0.621
35 2HG PRO 5 1HG PRO 5 -5.032 -0.331 1.497
36 1HD PRO 5 2HD PRO 5 -7.271 -0.215 -0.178
37 2HD PRO 5 1HD PRO 5 -6.911 -1.499 0.991
38 H ILE 6 H ILE 6 -6.325 3.260 2.482
39 HA ILE 6 HA ILE 6 -8.095 4.740 0.667
40 HB ILE 6 HB ILE 6 -7.298 6.786 2.117
41 1HG1 ILE 6 2HG1 ILE 6 -7.351 4.527 4.126
42 2HG1 ILE 6 1HG1 ILE 6 -5.932 5.453 3.649
43 1HG2 ILE 6 1HG2 ILE 6 -9.540 6.792 2.062
44 2HG2 ILE 6 2HG2 ILE 6 -9.433 6.034 3.651
45 3HG2 ILE 6 3HG2 ILE 6 -9.641 5.037 2.211
46 1HD1 ILE 6 1HD1 ILE 6 -7.723 5.988 5.737
47 2HD1 ILE 6 2HD1 ILE 6 -7.975 7.244 4.525
48 3HD1 ILE 6 3HD1 ILE 6 -6.366 6.972 5.191
49 H CYS 7 H CYS 7 -5.682 3.352 0.107
50 HA CYS 7 HA CYS 7 -3.676 3.588 -0.914
51 1HB CYS 7 2HB CYS 7 -5.068 6.144 -1.643
52 2HB CYS 7 1HB CYS 7 -3.428 5.822 -2.198
53 H ILE 8 H ILE 8 -3.903 4.412 1.907
54 HA ILE 8 HA ILE 8 -2.502 6.651 2.637
55 HB ILE 8 HB ILE 8 -1.637 5.343 4.583
56 1HG1 ILE 8 2HG1 ILE 8 -3.099 3.048 3.255
57 2HG1 ILE 8 1HG1 ILE 8 -1.347 3.200 3.363
58 1HG2 ILE 8 1HG2 ILE 8 -3.829 4.916 5.559
59 2HG2 ILE 8 2HG2 ILE 8 -4.560 4.967 3.956
60 3HG2 ILE 8 3HG2 ILE 8 -3.826 6.419 4.636
61 1HD1 ILE 8 1HD1 ILE 8 -3.294 2.328 5.363
62 2HD1 ILE 8 2HD1 ILE 8 -2.063 3.437 5.970
63 3HD1 ILE 8 3HD1 ILE 8 -1.585 1.931 5.186
64 H PHE 9 H PHE 9 -0.406 7.299 2.720
65 HA PHE 9 HA PHE 9 1.447 6.199 0.891
66 1HB PHE 9 2HB PHE 9 1.361 8.594 1.572
67 2HB PHE 9 1HB PHE 9 1.966 8.137 3.159
68 HD1 PHE 9 1HD PHE 9 2.889 7.563 -0.417
69 HD2 PHE 9 2HD PHE 9 4.187 8.518 3.522
70 HE1 PHE 9 1HE PHE 9 5.197 7.797 -1.236
71 HE2 PHE 9 2HE PHE 9 6.497 8.752 2.707
72 HZ PHE 9 HZ PHE 9 7.006 8.387 0.324
73 H CYS 10 H CYS 10 3.105 4.773 1.150
74 HA CYS 10 HA CYS 10 4.164 4.150 3.747
75 1HB CYS 10 2HB CYS 10 3.352 2.038 4.108
76 2HB CYS 10 1HB CYS 10 1.958 2.745 3.302
77 H CYS 11 H CYS 11 6.216 3.442 3.615
78 HA CYS 11 HA CYS 11 7.433 3.367 1.010
79 1HB CYS 11 2HB CYS 11 8.528 3.170 3.809
80 2HB CYS 11 1HB CYS 11 9.547 2.971 2.388
81 H GLY 12 H GLY 12 8.097 1.672 -0.130
82 1HA GLY 12 2HA GLY 12 7.363 -0.986 0.705
83 2HA GLY 12 1HA GLY 12 8.141 -0.542 -0.811
84 H CYS 13 H CYS 13 8.720 -0.879 2.639
85 HA CYS 13 HA CYS 13 11.525 -0.789 2.664
86 1HB CYS 13 2HB CYS 13 11.360 -1.682 4.900
87 2HB CYS 13 1HB CYS 13 10.020 -0.566 4.661
88 H CYS 14 H CYS 14 9.334 -3.480 2.849
89 HA CYS 14 HA CYS 14 11.565 -5.313 2.460
90 1HB CYS 14 2HB CYS 14 8.914 -5.866 3.756
91 2HB CYS 14 1HB CYS 14 10.463 -6.673 4.020
92 H HIS 15 H HIS 15 8.140 -4.825 1.574
93 HA HIS 15 HA HIS 15 8.044 -7.053 -0.199
94 1HB HIS 15 2HB HIS 15 6.381 -4.513 -0.181
95 2HB HIS 15 1HB HIS 15 6.009 -5.960 -1.111
96 HD1 HIS 15 1HD HIS 15 3.778 -5.325 0.565
97 HD2 HIS 15 2HD HIS 15 7.052 -7.323 2.165
98 HE1 HIS 15 1HE HIS 15 2.926 -6.456 2.643
99 HE2 HIS 15 2HE HIS 15 4.909 -7.713 3.558
100 H ARG 16 H ARG 16 7.094 -4.280 -1.924
101 HA ARG 16 HA ARG 16 9.269 -4.638 -3.782
102 1HB ARG 16 2HB ARG 16 8.093 -2.466 -4.776
103 2HB ARG 16 1HB ARG 16 7.418 -4.070 -5.010
104 1HG ARG 16 2HG ARG 16 5.642 -2.603 -4.432
105 2HG ARG 16 1HG ARG 16 5.933 -3.659 -3.053
106 1HD ARG 16 2HD ARG 16 7.164 -1.896 -1.932
107 2HD ARG 16 1HD ARG 16 6.976 -0.843 -3.332
108 HE ARG 16 HE ARG 16 4.950 -0.254 -2.491
109 1HH1 ARG 16 1HH1 ARG 16 5.712 -3.445 -1.310
110 2HH1 ARG 16 2HH1 ARG 16 4.259 -3.585 -0.380
111 1HH2 ARG 16 1HH2 ARG 16 3.036 -0.435 -1.267
112 2HH2 ARG 16 2HH2 ARG 16 2.740 -1.877 -0.353
113 H SER 17 H SER 17 11.136 -3.484 -3.824
114 HA SER 17 HA SER 17 11.776 -1.801 -1.619
115 1HB SER 17 2HB SER 17 13.458 -3.238 -2.681
116 2HB SER 17 1HB SER 17 13.321 -2.308 -4.173
117 HG SER 17 HG SER 17 15.099 -1.648 -2.870
118 H LYS 18 H LYS 18 9.730 -0.454 -2.419
119 HA LYS 18 HA LYS 18 10.851 2.015 -3.456
120 1HB LYS 18 2HB LYS 18 9.060 2.298 -5.154
121 2HB LYS 18 1HB LYS 18 10.172 0.987 -5.522
122 1HG LYS 18 2HG LYS 18 8.553 -0.637 -4.723
123 2HG LYS 18 1HG LYS 18 7.441 0.663 -4.298
124 1HD LYS 18 2HD LYS 18 8.466 0.205 -7.095
125 2HD LYS 18 1HD LYS 18 6.974 -0.507 -6.483
126 1HE LYS 18 2HE LYS 18 6.432 1.487 -7.703
127 2HE LYS 18 1HE LYS 18 6.144 1.779 -5.990
128 1HZ LYS 18 1HZ LYS 18 7.819 3.276 -5.871
129 2HZ LYS 18 2HZ LYS 18 7.467 3.468 -7.513
130 3HZ LYS 18 3HZ LYS 18 8.771 2.501 -7.036
131 H CYS 19 H CYS 19 9.964 3.782 -2.520
132 HA CYS 19 HA CYS 19 7.691 3.332 -0.728
133 1HB CYS 19 2HB CYS 19 9.780 4.420 0.151
134 2HB CYS 19 1HB CYS 19 9.454 5.783 -0.916
135 H GLY 20 H GLY 20 5.711 4.173 -1.102
136 1HA GLY 20 2HA GLY 20 5.194 6.557 -2.506
137 2HA GLY 20 1HA GLY 20 5.030 5.212 -3.622
138 H MET 21 H MET 21 2.789 5.884 -3.805
139 HA MET 21 HA MET 21 1.029 5.779 -1.573
140 1HB MET 21 2HB MET 21 0.442 5.553 -4.532
141 2HB MET 21 1HB MET 21 -0.771 5.774 -3.278
142 1HG MET 21 2HG MET 21 0.240 7.922 -2.687
143 2HG MET 21 1HG MET 21 1.439 7.700 -3.959
144 1HE MET 21 1HE MET 21 -2.825 8.688 -3.871
145 2HE MET 21 2HE MET 21 -2.137 7.176 -3.276
146 3HE MET 21 3HE MET 21 -2.862 7.243 -4.882
147 H CYS 22 H CYS 22 0.010 4.091 -0.652
148 HA CYS 22 HA CYS 22 0.308 1.469 -1.966
149 1HB CYS 22 2HB CYS 22 0.118 1.986 1.005
150 2HB CYS 22 1HB CYS 22 0.525 0.468 0.208
151 H CYS 23 H CYS 23 -1.553 0.685 -2.681
152 HA CYS 23 HA CYS 23 -3.996 1.183 -1.134
153 1HB CYS 23 2HB CYS 23 -4.076 0.820 -4.111
154 2HB CYS 23 1HB CYS 23 -5.254 1.589 -3.054
155 H LYS 24 H LYS 24 -4.420 -0.694 -0.227
156 HA LYS 24 HA LYS 24 -3.700 -3.220 -1.350
157 1HB LYS 24 2HB LYS 24 -5.428 -2.506 1.023
158 2HB LYS 24 1HB LYS 24 -4.979 -4.150 0.591
159 1HG LYS 24 2HG LYS 24 -2.646 -3.649 0.946
160 2HG LYS 24 1HG LYS 24 -3.029 -1.957 1.266
161 1HD LYS 24 2HD LYS 24 -2.663 -3.154 3.351
162 2HD LYS 24 1HD LYS 24 -4.346 -2.641 3.225
163 1HE LYS 24 2HE LYS 24 -4.199 -4.918 4.073
164 2HE LYS 24 1HE LYS 24 -4.976 -4.889 2.491
165 1HZ LYS 24 1HZ LYS 24 -2.449 -5.270 1.778
166 2HZ LYS 24 2HZ LYS 24 -3.518 -6.541 2.097
167 3HZ LYS 24 3HZ LYS 24 -2.427 -6.036 3.287
168 H THR 25 H THR 25 -5.285 -1.892 -3.210
169 HA THR 25 HA THR 25 -8.018 -2.626 -3.092
170 HB THR 25 HB THR 25 -8.082 -2.088 -5.493
171 HG1 THR 25 1HG THR 25 -5.258 -2.007 -5.170
172 1HG2 THR 25 1HG2 THR 25 -8.328 -0.195 -4.121
173 2HG2 THR 25 2HG2 THR 25 -7.089 0.265 -5.289
174 3HG2 THR 25 3HG2 THR 25 -6.627 -0.206 -3.654
Start of MODEL 20
1 1H ASP 1 1HT ASP 1 -3.582 -8.643 -2.515
2 2H ASP 1 2HT ASP 1 -4.918 -9.021 -3.480
3 3H ASP 1 3HT ASP 1 -4.397 -10.109 -2.296
4 HA ASP 1 HA ASP 1 -6.217 -9.136 -1.302
5 1HB ASP 1 2HB ASP 1 -4.214 -9.094 0.119
6 2HB ASP 1 1HB ASP 1 -3.799 -7.499 -0.502
7 H THR 2 H THR 2 -7.790 -7.607 -1.315
8 HA THR 2 HA THR 2 -7.223 -5.028 -2.580
9 HB THR 2 HB THR 2 -9.303 -5.120 -3.873
10 HG1 THR 2 1HG THR 2 -9.471 -7.834 -3.009
11 1HG2 THR 2 1HG2 THR 2 -8.030 -7.673 -4.669
12 2HG2 THR 2 2HG2 THR 2 -6.977 -6.262 -4.568
13 3HG2 THR 2 3HG2 THR 2 -8.386 -6.236 -5.628
14 H HIS 3 H HIS 3 -7.268 -5.138 -0.005
15 HA HIS 3 HA HIS 3 -9.934 -4.657 1.049
16 1HB HIS 3 2HB HIS 3 -8.280 -5.931 2.381
17 2HB HIS 3 1HB HIS 3 -7.242 -4.509 2.428
18 HD1 HIS 3 1HD HIS 3 -10.884 -5.212 3.322
19 HD2 HIS 3 2HD HIS 3 -7.541 -3.219 4.777
20 HE1 HIS 3 1HE HIS 3 -11.604 -4.199 5.509
21 HE2 HIS 3 2HE HIS 3 -9.556 -3.025 6.388
22 H PHE 4 H PHE 4 -10.248 -2.785 -0.398
23 HA PHE 4 HA PHE 4 -8.798 -0.492 -0.528
24 1HB PHE 4 2HB PHE 4 -11.142 0.670 -0.654
25 2HB PHE 4 1HB PHE 4 -10.649 -0.469 -1.899
26 HD1 PHE 4 1HD PHE 4 -12.064 -2.180 -2.484
27 HD2 PHE 4 2HD PHE 4 -12.525 -0.348 1.329
28 HE1 PHE 4 1HE PHE 4 -14.105 -3.499 -2.101
29 HE2 PHE 4 2HE PHE 4 -14.564 -1.667 1.720
30 HZ PHE 4 HZ PHE 4 -15.356 -3.246 0.005
31 HA PRO 5 HA PRO 5 -9.077 0.862 3.763
32 1HB PRO 5 2HB PRO 5 -6.549 1.680 3.974
33 2HB PRO 5 1HB PRO 5 -6.942 -0.042 3.914
34 1HG PRO 5 2HG PRO 5 -5.716 1.688 1.851
35 2HG PRO 5 1HG PRO 5 -5.559 -0.058 2.094
36 1HD PRO 5 2HD PRO 5 -7.282 1.329 0.263
37 2HD PRO 5 1HD PRO 5 -7.129 -0.422 0.509
38 H ILE 6 H ILE 6 -7.347 3.026 4.422
39 HA ILE 6 HA ILE 6 -8.941 5.246 3.593
40 HB ILE 6 HB ILE 6 -7.109 6.569 4.826
41 1HG1 ILE 6 2HG1 ILE 6 -6.346 3.740 5.578
42 2HG1 ILE 6 1HG1 ILE 6 -5.340 4.909 4.730
43 1HG2 ILE 6 1HG2 ILE 6 -8.614 6.517 6.458
44 2HG2 ILE 6 2HG2 ILE 6 -8.111 4.890 6.918
45 3HG2 ILE 6 3HG2 ILE 6 -9.356 5.114 5.689
46 1HD1 ILE 6 1HD1 ILE 6 -5.624 6.352 6.843
47 2HD1 ILE 6 2HD1 ILE 6 -4.530 4.968 6.894
48 3HD1 ILE 6 3HD1 ILE 6 -6.139 4.848 7.608
49 H CYS 7 H CYS 7 -6.316 3.621 2.309
50 HA CYS 7 HA CYS 7 -5.057 3.897 0.455
51 1HB CYS 7 2HB CYS 7 -7.259 4.827 -0.422
52 2HB CYS 7 1HB CYS 7 -6.592 6.428 -0.118
53 H ILE 8 H ILE 8 -4.022 4.835 2.862
54 HA ILE 8 HA ILE 8 -2.830 7.432 2.421
55 HB ILE 8 HB ILE 8 -1.547 6.929 4.508
56 1HG1 ILE 8 2HG1 ILE 8 -3.284 4.449 4.549
57 2HG1 ILE 8 1HG1 ILE 8 -1.545 4.468 4.277
58 1HG2 ILE 8 1HG2 ILE 8 -3.562 8.194 4.662
59 2HG2 ILE 8 2HG2 ILE 8 -3.556 7.031 5.988
60 3HG2 ILE 8 3HG2 ILE 8 -4.551 6.737 4.561
61 1HD1 ILE 8 1HD1 ILE 8 -3.001 4.440 6.740
62 2HD1 ILE 8 2HD1 ILE 8 -1.948 5.852 6.671
63 3HD1 ILE 8 3HD1 ILE 8 -1.273 4.236 6.457
64 H PHE 9 H PHE 9 -0.764 7.888 1.853
65 HA PHE 9 HA PHE 9 0.645 6.124 0.187
66 1HB PHE 9 2HB PHE 9 0.791 8.586 0.063
67 2HB PHE 9 1HB PHE 9 1.650 8.606 1.598
68 HD1 PHE 9 1HD PHE 9 3.811 9.252 1.245
69 HD2 PHE 9 2HD PHE 9 2.020 6.511 -1.472
70 HE1 PHE 9 1HE PHE 9 5.948 9.053 0.042
71 HE2 PHE 9 2HE PHE 9 4.154 6.304 -2.678
72 HZ PHE 9 HZ PHE 9 6.121 7.579 -1.919
73 H CYS 10 H CYS 10 2.510 4.906 0.463
74 HA CYS 10 HA CYS 10 3.847 4.812 3.029
75 1HB CYS 10 2HB CYS 10 3.364 2.454 3.468
76 2HB CYS 10 1HB CYS 10 1.874 3.389 3.427
77 H CYS 11 H CYS 11 5.942 4.730 2.456
78 HA CYS 11 HA CYS 11 6.724 3.539 -0.066
79 1HB CYS 11 2HB CYS 11 8.278 4.979 2.082
80 2HB CYS 11 1HB CYS 11 9.049 4.253 0.678
81 H GLY 12 H GLY 12 7.348 1.496 -0.322
82 1HA GLY 12 2HA GLY 12 7.507 -0.328 1.848
83 2HA GLY 12 1HA GLY 12 7.983 -0.660 0.187
84 H CYS 13 H CYS 13 9.028 -0.342 3.283
85 HA CYS 13 HA CYS 13 11.505 0.935 3.178
86 1HB CYS 13 2HB CYS 13 11.946 -0.086 5.296
87 2HB CYS 13 1HB CYS 13 10.223 0.270 5.236
88 H CYS 14 H CYS 14 10.782 -2.494 3.061
89 HA CYS 14 HA CYS 14 13.597 -2.984 2.463
90 1HB CYS 14 2HB CYS 14 11.617 -4.807 3.792
91 2HB CYS 14 1HB CYS 14 13.382 -4.842 3.895
92 H HIS 15 H HIS 15 11.721 -5.792 2.361
93 HA HIS 15 HA HIS 15 12.518 -6.611 -0.120
94 1HB HIS 15 2HB HIS 15 9.882 -7.265 1.221
95 2HB HIS 15 1HB HIS 15 10.597 -8.176 -0.104
96 HD1 HIS 15 1HD HIS 15 13.274 -8.899 0.622
97 HD2 HIS 15 2HD HIS 15 10.366 -8.499 3.563
98 HE1 HIS 15 1HE HIS 15 14.125 -10.210 2.592
99 HE2 HIS 15 2HE HIS 15 12.385 -9.891 4.386
100 H ARG 16 H ARG 16 9.589 -4.839 0.703
101 HA ARG 16 HA ARG 16 8.914 -4.499 -2.110
102 1HB ARG 16 2HB ARG 16 7.166 -5.009 -0.391
103 2HB ARG 16 1HB ARG 16 7.508 -3.458 0.360
104 1HG ARG 16 2HG ARG 16 6.853 -2.352 -1.766
105 2HG ARG 16 1HG ARG 16 6.371 -3.933 -2.384
106 1HD ARG 16 2HD ARG 16 4.803 -4.164 -0.502
107 2HD ARG 16 1HD ARG 16 5.259 -2.555 0.055
108 HE ARG 16 HE ARG 16 3.788 -1.711 -1.459
109 1HH1 ARG 16 1HH1 ARG 16 4.795 -4.858 -2.577
110 2HH1 ARG 16 2HH1 ARG 16 3.773 -4.828 -3.975
111 1HH2 ARG 16 1HH2 ARG 16 2.442 -1.669 -3.297
112 2HH2 ARG 16 2HH2 ARG 16 2.435 -3.018 -4.383
113 H SER 17 H SER 17 11.329 -3.368 -1.551
114 HA SER 17 HA SER 17 11.409 -0.739 -0.633
115 1HB SER 17 2HB SER 17 13.544 -0.568 -1.868
116 2HB SER 17 1HB SER 17 13.428 -2.071 -0.953
117 HG SER 17 HG SER 17 12.412 -2.438 -3.403
118 H LYS 18 H LYS 18 9.280 -0.213 -1.703
119 HA LYS 18 HA LYS 18 9.834 1.488 -3.987
120 1HB LYS 18 2HB LYS 18 7.896 0.627 -5.288
121 2HB LYS 18 1HB LYS 18 9.214 -0.529 -5.141
122 1HG LYS 18 2HG LYS 18 7.991 -1.669 -3.340
123 2HG LYS 18 1HG LYS 18 6.659 -0.532 -3.546
124 1HD LYS 18 2HD LYS 18 7.701 -2.372 -5.698
125 2HD LYS 18 1HD LYS 18 6.288 -2.699 -4.693
126 1HE LYS 18 2HE LYS 18 5.217 -0.670 -5.556
127 2HE LYS 18 1HE LYS 18 6.627 -0.358 -6.567
128 1HZ LYS 18 1HZ LYS 18 5.851 -2.946 -7.123
129 2HZ LYS 18 2HZ LYS 18 5.656 -1.589 -8.114
130 3HZ LYS 18 3HZ LYS 18 4.413 -2.055 -7.066
131 H CYS 19 H CYS 19 8.774 3.383 -3.810
132 HA CYS 19 HA CYS 19 6.989 3.795 -1.609
133 1HB CYS 19 2HB CYS 19 8.011 5.565 -3.814
134 2HB CYS 19 1HB CYS 19 6.759 6.117 -2.709
135 H GLY 20 H GLY 20 4.814 3.887 -1.578
136 1HA GLY 20 2HA GLY 20 3.135 4.460 -3.751
137 2HA GLY 20 1HA GLY 20 3.313 2.713 -3.652
138 H MET 21 H MET 21 1.019 4.643 -3.121
139 HA MET 21 HA MET 21 0.458 4.640 -0.367
140 1HB MET 21 2HB MET 21 -1.460 4.675 -2.703
141 2HB MET 21 1HB MET 21 -1.889 5.047 -1.041
142 1HG MET 21 2HG MET 21 -1.632 7.111 -2.130
143 2HG MET 21 1HG MET 21 -0.192 6.903 -1.138
144 1HE MET 21 1HE MET 21 -0.202 5.857 -5.595
145 2HE MET 21 2HE MET 21 -1.435 7.002 -5.065
146 3HE MET 21 3HE MET 21 -1.383 5.380 -4.376
147 H CYS 22 H CYS 22 -0.449 3.184 0.987
148 HA CYS 22 HA CYS 22 -0.547 0.433 0.186
149 1HB CYS 22 2HB CYS 22 -1.067 1.882 2.770
150 2HB CYS 22 1HB CYS 22 -1.445 0.174 2.607
151 H CYS 23 H CYS 23 -2.433 1.844 -1.323
152 HA CYS 23 HA CYS 23 -5.041 1.424 -0.140
153 1HB CYS 23 2HB CYS 23 -4.599 2.090 -3.032
154 2HB CYS 23 1HB CYS 23 -5.927 2.554 -1.973
155 H LYS 24 H LYS 24 -4.561 -0.951 0.135
156 HA LYS 24 HA LYS 24 -4.208 -2.770 -1.908
157 1HB LYS 24 2HB LYS 24 -5.916 -3.058 0.570
158 2HB LYS 24 1HB LYS 24 -5.423 -4.393 -0.463
159 1HG LYS 24 2HG LYS 24 -3.542 -2.584 1.040
160 2HG LYS 24 1HG LYS 24 -4.046 -4.193 1.560
161 1HD LYS 24 2HD LYS 24 -3.074 -5.136 -0.498
162 2HD LYS 24 1HD LYS 24 -2.530 -3.523 -0.964
163 1HE LYS 24 2HE LYS 24 -1.142 -3.409 1.044
164 2HE LYS 24 1HE LYS 24 -1.699 -5.010 1.526
165 1HZ LYS 24 1HZ LYS 24 -0.767 -5.772 -0.693
166 2HZ LYS 24 2HZ LYS 24 0.353 -5.365 0.508
167 3HZ LYS 24 3HZ LYS 24 0.036 -4.284 -0.754
168 H THR 25 H THR 25 -5.261 -2.766 -3.779
169 HA THR 25 HA THR 25 -8.051 -3.377 -3.893
170 HB THR 25 HB THR 25 -7.180 -0.670 -4.937
171 HG1 THR 25 1HG THR 25 -9.123 -1.322 -2.955
172 1HG2 THR 25 1HG2 THR 25 -9.994 -1.026 -5.020
173 2HG2 THR 25 2HG2 THR 25 -9.254 -2.416 -5.815
174 3HG2 THR 25 3HG2 THR 25 -8.882 -0.783 -6.367