Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20402 | 2fqc RC | 6951 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H PHE 1 1HT PHE 1 5.439 14.499 2.745
2 2H PHE 1 2HT PHE 1 6.271 13.243 3.514
3 3H PHE 1 3HT PHE 1 4.589 13.355 3.658
4 HA PHE 1 HA PHE 1 5.563 13.202 0.946
5 1HB PHE 1 2HB PHE 1 7.116 11.692 2.152
6 2HB PHE 1 1HB PHE 1 5.741 10.848 2.852
7 HD1 PHE 1 1HD PHE 1 6.871 11.888 -0.560
8 HD2 PHE 1 2HD PHE 1 5.261 8.824 1.918
9 HE1 PHE 1 1HE PHE 1 6.828 10.357 -2.486
10 HE2 PHE 1 2HE PHE 1 5.216 7.288 -0.004
11 HZ PHE 1 HZ PHE 1 6.000 8.054 -2.209
12 HA PRO 2 HA PRO 2 1.130 12.600 0.908
13 1HB PRO 2 2HB PRO 2 0.854 12.170 -1.759
14 2HB PRO 2 1HB PRO 2 1.113 13.777 -1.072
15 1HG PRO 2 2HG PRO 2 3.081 11.924 -2.353
16 2HG PRO 2 1HG PRO 2 2.911 13.679 -2.538
17 1HD PRO 2 2HD PRO 2 4.789 12.546 -0.943
18 2HD PRO 2 1HD PRO 2 4.052 14.122 -0.590
19 H ARG 3 H ARG 3 -0.177 10.835 1.082
20 HA ARG 3 HA ARG 3 0.990 8.244 1.030
21 1HB ARG 3 2HB ARG 3 -1.772 9.289 1.537
22 2HB ARG 3 1HB ARG 3 -1.513 7.564 1.327
23 1HG ARG 3 2HG ARG 3 0.070 7.588 3.201
24 2HG ARG 3 1HG ARG 3 -0.239 9.313 3.421
25 1HD ARG 3 2HD ARG 3 -1.549 7.912 4.974
26 2HD ARG 3 1HD ARG 3 -2.566 8.875 3.905
27 HE ARG 3 HE ARG 3 -3.400 6.946 3.005
28 1HH1 ARG 3 1HH1 ARG 3 -0.506 6.147 4.814
29 2HH1 ARG 3 2HH1 ARG 3 -0.696 4.438 4.607
30 1HH2 ARG 3 1HH2 ARG 3 -3.647 4.702 2.711
31 2HH2 ARG 3 2HH2 ARG 3 -2.492 3.610 3.413
32 HA PRO 4 HA PRO 4 0.341 7.598 -3.358
33 1HB PRO 4 2HB PRO 4 1.175 4.853 -2.632
34 2HB PRO 4 1HB PRO 4 1.870 5.960 -3.820
35 1HG PRO 4 2HG PRO 4 3.123 5.425 -1.515
36 2HG PRO 4 1HG PRO 4 3.175 7.041 -2.247
37 1HD PRO 4 2HD PRO 4 1.532 6.055 0.055
38 2HD PRO 4 1HD PRO 4 2.356 7.613 -0.160
39 H ARG 5 H ARG 5 -1.430 6.891 -4.412
40 HA ARG 5 HA ARG 5 -3.691 5.984 -3.082
41 1HB ARG 5 2HB ARG 5 -3.724 7.095 -5.288
42 2HB ARG 5 1HB ARG 5 -3.043 5.647 -6.017
43 1HG ARG 5 2HG ARG 5 -5.028 4.382 -5.427
44 2HG ARG 5 1HG ARG 5 -5.707 5.794 -4.617
45 1HD ARG 5 2HD ARG 5 -5.018 5.633 -7.551
46 2HD ARG 5 1HD ARG 5 -6.636 5.449 -6.877
47 HE ARG 5 HE ARG 5 -5.243 7.888 -7.366
48 1HH1 ARG 5 1HH1 ARG 5 -7.646 6.393 -5.302
49 2HH1 ARG 5 2HH1 ARG 5 -8.370 7.896 -4.836
50 1HH2 ARG 5 1HH2 ARG 5 -6.198 9.879 -6.753
51 2HH2 ARG 5 2HH2 ARG 5 -7.545 9.882 -5.663
52 H ILE 6 H ILE 6 -1.127 4.182 -4.636
53 HA ILE 6 HA ILE 6 -2.365 1.658 -4.684
54 HB ILE 6 HB ILE 6 0.577 2.269 -4.434
55 1HG1 ILE 6 2HG1 ILE 6 -0.398 3.404 -6.369
56 2HG1 ILE 6 1HG1 ILE 6 0.638 2.080 -6.892
57 1HG2 ILE 6 1HG2 ILE 6 -0.805 -0.195 -4.415
58 2HG2 ILE 6 2HG2 ILE 6 0.937 0.081 -4.463
59 3HG2 ILE 6 3HG2 ILE 6 0.027 -0.071 -5.966
60 1HD1 ILE 6 1HD1 ILE 6 -1.881 0.942 -6.697
61 2HD1 ILE 6 2HD1 ILE 6 -1.046 1.428 -8.174
62 3HD1 ILE 6 3HD1 ILE 6 -2.166 2.540 -7.387
63 H CYS 7 H CYS 7 -0.447 3.292 -2.230
64 HA CYS 7 HA CYS 7 -0.117 1.153 -0.462
65 1HB CYS 7 2HB CYS 7 -0.315 4.125 0.013
66 2HB CYS 7 1HB CYS 7 0.028 2.977 1.299
67 H ASN 8 H ASN 8 -2.834 3.198 -1.118
68 HA ASN 8 HA ASN 8 -4.311 2.555 1.246
69 1HB ASN 8 2HB ASN 8 -5.223 3.601 -1.442
70 2HB ASN 8 1HB ASN 8 -6.284 3.412 -0.051
71 1HD2 ASN 8 1HD2 ASN 8 -4.772 5.656 -1.714
72 2HD2 ASN 8 2HD2 ASN 8 -4.371 6.789 -0.477
73 H LEU 9 H LEU 9 -4.292 1.354 -2.060
74 HA LEU 9 HA LEU 9 -6.266 -0.633 -1.751
75 1HB LEU 9 2HB LEU 9 -5.640 0.045 -3.954
76 2HB LEU 9 1HB LEU 9 -3.953 -0.322 -3.654
77 HG LEU 9 HG LEU 9 -4.568 -2.737 -3.505
78 1HD1 LEU 9 1HD1 LEU 9 -7.246 -1.672 -4.372
79 2HD1 LEU 9 2HD1 LEU 9 -6.875 -2.645 -2.948
80 3HD1 LEU 9 3HD1 LEU 9 -6.760 -3.356 -4.559
81 1HD2 LEU 9 1HD2 LEU 9 -4.540 -3.071 -5.827
82 2HD2 LEU 9 2HD2 LEU 9 -3.737 -1.521 -5.582
83 3HD2 LEU 9 3HD2 LEU 9 -5.410 -1.569 -6.141
84 H ALA 10 H ALA 10 -2.784 -0.647 -1.449
85 HA ALA 10 HA ALA 10 -2.337 -3.351 -0.965
86 1HB ALA 10 1HB ALA 10 -0.444 -2.034 0.574
87 2HB ALA 10 2HB ALA 10 -0.846 -0.882 -0.699
88 3HB ALA 10 3HB ALA 10 -0.284 -2.500 -1.120
89 H CYS 11 H CYS 11 -3.025 -0.720 1.337
90 HA CYS 11 HA CYS 11 -2.794 -2.269 3.676
91 1HB CYS 11 2HB CYS 11 -4.519 0.166 3.130
92 2HB CYS 11 1HB CYS 11 -4.286 -0.530 4.724
93 H ARG 12 H ARG 12 -5.583 -1.568 1.602
94 HA ARG 12 HA ARG 12 -7.538 -2.819 3.175
95 1HB ARG 12 2HB ARG 12 -7.996 -1.275 1.282
96 2HB ARG 12 1HB ARG 12 -7.507 -2.546 0.168
97 1HG ARG 12 2HG ARG 12 -9.329 -3.967 1.120
98 2HG ARG 12 1HG ARG 12 -9.873 -2.554 2.025
99 1HD ARG 12 2HD ARG 12 -11.172 -2.745 0.006
100 2HD ARG 12 1HD ARG 12 -10.123 -1.333 -0.111
101 HE ARG 12 HE ARG 12 -9.167 -2.276 -1.941
102 1HH1 ARG 12 1HH1 ARG 12 -10.630 -4.850 -0.066
103 2HH1 ARG 12 2HH1 ARG 12 -10.236 -6.087 -1.211
104 1HH2 ARG 12 1HH2 ARG 12 -8.649 -3.909 -3.463
105 2HH2 ARG 12 2HH2 ARG 12 -9.106 -5.550 -3.149
106 H ALA 13 H ALA 13 -5.664 -4.080 0.439
107 HA ALA 13 HA ALA 13 -6.803 -6.693 0.648
108 1HB ALA 13 1HB ALA 13 -5.536 -5.379 -1.344
109 2HB ALA 13 2HB ALA 13 -5.778 -7.125 -1.309
110 3HB ALA 13 3HB ALA 13 -4.247 -6.436 -0.770
111 H GLY 14 H GLY 14 -4.436 -5.065 2.301
112 1HA GLY 14 2HA GLY 14 -3.127 -5.717 4.094
113 2HA GLY 14 1HA GLY 14 -3.761 -7.336 3.897
114 H ILE 15 H ILE 15 -2.440 -5.826 1.172
115 HA ILE 15 HA ILE 15 -0.213 -7.709 1.213
116 HB ILE 15 HB ILE 15 0.165 -6.968 -1.154
117 1HG1 ILE 15 2HG1 ILE 15 -2.459 -5.519 -0.737
118 2HG1 ILE 15 1HG1 ILE 15 -0.893 -4.750 -0.974
119 1HG2 ILE 15 1HG2 ILE 15 -2.477 -7.840 -1.578
120 2HG2 ILE 15 2HG2 ILE 15 -1.930 -8.583 -0.075
121 3HG2 ILE 15 3HG2 ILE 15 -1.003 -8.808 -1.557
122 1HD1 ILE 15 1HD1 ILE 15 -2.685 -5.209 -2.934
123 2HD1 ILE 15 2HD1 ILE 15 -1.676 -6.649 -3.068
124 3HD1 ILE 15 3HD1 ILE 15 -0.948 -5.047 -3.193
125 H GLY 16 H GLY 16 -0.542 -5.200 2.791
126 1HA GLY 16 2HA GLY 16 1.251 -3.225 1.902
127 2HA GLY 16 1HA GLY 16 0.819 -3.527 3.580
128 H HIS 17 H HIS 17 1.808 -6.111 3.878
129 HA HIS 17 HA HIS 17 4.556 -5.554 4.328
130 1HB HIS 17 2HB HIS 17 2.969 -7.182 5.597
131 2HB HIS 17 1HB HIS 17 3.422 -8.337 4.350
132 HD1 HIS 17 1HD HIS 17 6.363 -8.073 4.088
133 HD2 HIS 17 2HD HIS 17 4.456 -7.738 7.770
134 HE1 HIS 17 1HE HIS 17 8.117 -8.610 5.810
135 H LYS 18 H LYS 18 2.833 -6.732 1.645
136 HA LYS 18 HA LYS 18 5.055 -8.161 0.479
137 1HB LYS 18 2HB LYS 18 2.801 -8.962 0.039
138 2HB LYS 18 1HB LYS 18 2.357 -7.410 -0.658
139 1HG LYS 18 2HG LYS 18 2.772 -9.063 -2.389
140 2HG LYS 18 1HG LYS 18 3.953 -7.754 -2.466
141 1HD LYS 18 2HD LYS 18 5.381 -9.335 -0.957
142 2HD LYS 18 1HD LYS 18 4.316 -10.590 -1.593
143 1HE LYS 18 2HE LYS 18 6.319 -10.431 -2.947
144 2HE LYS 18 1HE LYS 18 4.915 -9.913 -3.879
145 1HZ LYS 18 1HZ LYS 18 7.238 -8.511 -3.533
146 2HZ LYS 18 2HZ LYS 18 6.145 -7.730 -2.502
147 3HZ LYS 18 3HZ LYS 18 5.786 -7.900 -4.149
148 H TYR 19 H TYR 19 3.504 -5.021 0.168
149 HA TYR 19 HA TYR 19 5.319 -4.280 -2.014
150 1HB TYR 19 2HB TYR 19 2.923 -2.921 -0.779
151 2HB TYR 19 1HB TYR 19 3.969 -2.108 -1.935
152 HD1 TYR 19 1HD TYR 19 2.938 -5.678 -2.051
153 HD2 TYR 19 2HD TYR 19 2.459 -1.796 -3.722
154 HE1 TYR 19 1HE TYR 19 1.638 -6.639 -3.900
155 HE2 TYR 19 2HE TYR 19 1.157 -2.750 -5.576
156 HH TYR 19 HH TYR 19 0.260 -4.586 -6.442
157 HA PRO 20 HA PRO 20 8.208 -2.840 1.165
158 1HB PRO 20 2HB PRO 20 9.405 -1.674 -1.304
159 2HB PRO 20 1HB PRO 20 10.176 -2.584 -0.001
160 1HG PRO 20 2HG PRO 20 9.670 -3.747 -2.335
161 2HG PRO 20 1HG PRO 20 9.437 -4.632 -0.815
162 1HD PRO 20 2HD PRO 20 7.409 -3.418 -2.637
163 2HD PRO 20 1HD PRO 20 7.316 -4.907 -1.676
164 H PHE 21 H PHE 21 7.289 -0.701 -1.543
165 HA PHE 21 HA PHE 21 7.767 1.676 -0.070
166 1HB PHE 21 2HB PHE 21 6.396 2.728 -1.986
167 2HB PHE 21 1HB PHE 21 7.936 1.975 -2.369
168 HD1 PHE 21 1HD PHE 21 4.284 1.226 -2.277
169 HD2 PHE 21 2HD PHE 21 8.055 0.448 -4.085
170 HE1 PHE 21 1HE PHE 21 3.180 -0.172 -3.970
171 HE2 PHE 21 2HE PHE 21 6.957 -0.954 -5.781
172 HZ PHE 21 HZ PHE 21 4.516 -1.265 -5.726
173 H CYS 22 H CYS 22 5.112 -0.491 -0.195
174 HA CYS 22 HA CYS 22 3.509 1.424 1.372
175 1HB CYS 22 2HB CYS 22 2.543 -0.680 -0.578
176 2HB CYS 22 1HB CYS 22 1.490 0.198 0.525
177 H HIS 23 H HIS 23 5.256 0.073 2.732
178 HA HIS 23 HA HIS 23 4.633 -2.544 3.541
179 1HB HIS 23 2HB HIS 23 6.117 -1.972 5.548
180 2HB HIS 23 1HB HIS 23 6.846 -1.900 3.949
181 HD1 HIS 23 1HD HIS 23 7.280 0.528 2.970
182 HD2 HIS 23 2HD HIS 23 6.189 0.371 6.985
183 HE1 HIS 23 1HE HIS 23 7.805 2.805 3.907
184 H CYS 24 H CYS 24 2.308 -1.727 3.622
185 HA CYS 24 HA CYS 24 1.415 -0.738 6.207
186 1HB CYS 24 2HB CYS 24 0.447 -0.201 3.873
187 2HB CYS 24 1HB CYS 24 -0.293 -1.793 3.971
188 H ARG 25 H ARG 25 -0.866 -2.113 6.574
189 HA ARG 25 HA ARG 25 -0.072 -4.400 7.989
190 1HB ARG 25 2HB ARG 25 -2.465 -4.879 8.251
191 2HB ARG 25 1HB ARG 25 -2.122 -3.178 8.533
192 1HG ARG 25 2HG ARG 25 -2.971 -2.602 6.346
193 2HG ARG 25 1HG ARG 25 -3.212 -4.306 5.961
194 1HD ARG 25 2HD ARG 25 -4.575 -2.868 8.234
195 2HD ARG 25 1HD ARG 25 -5.289 -3.101 6.640
196 HE ARG 25 HE ARG 25 -5.071 -5.036 8.741
197 1HH1 ARG 25 1HH1 ARG 25 -5.367 -4.625 5.266
198 2HH1 ARG 25 2HH1 ARG 25 -5.976 -6.229 5.005
199 1HH2 ARG 25 1HH2 ARG 25 -5.874 -7.153 8.386
200 2HH2 ARG 25 2HH2 ARG 25 -6.260 -7.664 6.777
201 1HN NH2 26 1H ARG 25 0.019 -6.572 7.438
202 2HN NH2 26 2H ARG 25 -0.853 -7.253 6.110
Start of MODEL 2
1 1H PHE 1 1HT PHE 1 2.421 12.735 5.175
2 2H PHE 1 2HT PHE 1 3.283 14.149 5.525
3 3H PHE 1 3HT PHE 1 3.554 12.746 6.432
4 HA PHE 1 HA PHE 1 4.973 13.573 4.262
5 1HB PHE 1 2HB PHE 1 5.960 11.230 4.466
6 2HB PHE 1 1HB PHE 1 5.932 12.190 5.938
7 HD1 PHE 1 1HD PHE 1 3.977 9.569 4.137
8 HD2 PHE 1 2HD PHE 1 5.074 11.287 7.874
9 HE1 PHE 1 1HE PHE 1 2.819 7.747 5.312
10 HE2 PHE 1 2HE PHE 1 3.914 9.466 9.054
11 HZ PHE 1 HZ PHE 1 2.786 7.693 7.772
12 HA PRO 2 HA PRO 2 2.896 12.173 0.638
13 1HB PRO 2 2HB PRO 2 5.009 11.727 -1.021
14 2HB PRO 2 1HB PRO 2 4.436 13.343 -0.596
15 1HG PRO 2 2HG PRO 2 6.732 11.789 0.533
16 2HG PRO 2 1HG PRO 2 6.650 13.507 0.096
17 1HD PRO 2 2HD PRO 2 6.433 12.651 2.651
18 2HD PRO 2 1HD PRO 2 5.569 14.082 2.052
19 H ARG 3 H ARG 3 2.116 10.301 -0.135
20 HA ARG 3 HA ARG 3 3.711 7.881 -0.125
21 1HB ARG 3 2HB ARG 3 1.311 8.282 1.637
22 2HB ARG 3 1HB ARG 3 1.667 6.687 0.989
23 1HG ARG 3 2HG ARG 3 3.516 8.352 2.687
24 2HG ARG 3 1HG ARG 3 2.575 6.959 3.228
25 1HD ARG 3 2HD ARG 3 3.847 5.461 1.967
26 2HD ARG 3 1HD ARG 3 4.492 6.736 0.934
27 HE ARG 3 HE ARG 3 5.321 7.182 3.581
28 1HH1 ARG 3 1HH1 ARG 3 5.843 4.925 0.964
29 2HH1 ARG 3 2HH1 ARG 3 7.495 4.619 1.380
30 1HH2 ARG 3 1HH2 ARG 3 7.503 6.773 4.156
31 2HH2 ARG 3 2HH2 ARG 3 8.444 5.672 3.208
32 HA PRO 4 HA PRO 4 1.535 7.336 -3.918
33 1HB PRO 4 2HB PRO 4 1.923 4.437 -3.473
34 2HB PRO 4 1HB PRO 4 2.474 5.454 -4.808
35 1HG PRO 4 2HG PRO 4 4.179 4.527 -2.965
36 2HG PRO 4 1HG PRO 4 4.370 6.139 -3.679
37 1HD PRO 4 2HD PRO 4 3.282 5.366 -1.003
38 2HD PRO 4 1HD PRO 4 4.315 6.739 -1.446
39 H ARG 5 H ARG 5 -0.514 6.931 -4.565
40 HA ARG 5 HA ARG 5 -2.544 6.456 -2.697
41 1HB ARG 5 2HB ARG 5 -2.778 7.665 -4.882
42 2HB ARG 5 1HB ARG 5 -2.730 6.107 -5.695
43 1HG ARG 5 2HG ARG 5 -4.782 5.431 -4.656
44 2HG ARG 5 1HG ARG 5 -4.797 6.879 -3.645
45 1HD ARG 5 2HD ARG 5 -4.975 8.268 -5.667
46 2HD ARG 5 1HD ARG 5 -5.002 6.809 -6.656
47 HE ARG 5 HE ARG 5 -7.180 7.953 -5.202
48 1HH1 ARG 5 1HH1 ARG 5 -5.894 4.945 -6.453
49 2HH1 ARG 5 2HH1 ARG 5 -7.429 4.145 -6.476
50 1HH2 ARG 5 1HH2 ARG 5 -9.214 6.902 -5.229
51 2HH2 ARG 5 2HH2 ARG 5 -9.324 5.262 -5.778
52 H ILE 6 H ILE 6 -0.540 4.302 -4.401
53 HA ILE 6 HA ILE 6 -2.151 2.005 -4.588
54 HB ILE 6 HB ILE 6 0.818 2.051 -4.100
55 1HG1 ILE 6 2HG1 ILE 6 -0.632 2.276 -6.750
56 2HG1 ILE 6 1HG1 ILE 6 0.201 3.598 -5.942
57 1HG2 ILE 6 1HG2 ILE 6 -0.098 0.088 -5.984
58 2HG2 ILE 6 2HG2 ILE 6 -1.006 -0.049 -4.479
59 3HG2 ILE 6 3HG2 ILE 6 0.755 -0.143 -4.458
60 1HD1 ILE 6 1HD1 ILE 6 1.996 3.032 -7.109
61 2HD1 ILE 6 2HD1 ILE 6 1.248 1.530 -7.652
62 3HD1 ILE 6 3HD1 ILE 6 2.100 1.584 -6.110
63 H CYS 7 H CYS 7 -0.319 3.415 -1.969
64 HA CYS 7 HA CYS 7 -0.096 1.279 -0.217
65 1HB CYS 7 2HB CYS 7 -0.537 4.217 0.323
66 2HB CYS 7 1HB CYS 7 -0.206 3.050 1.591
67 H ASN 8 H ASN 8 -2.853 3.224 -1.041
68 HA ASN 8 HA ASN 8 -4.547 2.549 1.127
69 1HB ASN 8 2HB ASN 8 -4.988 4.361 -0.558
70 2HB ASN 8 1HB ASN 8 -5.393 3.113 -1.723
71 1HD2 ASN 8 1HD2 ASN 8 -7.483 2.825 -1.948
72 2HD2 ASN 8 2HD2 ASN 8 -8.676 2.994 -0.712
73 H LEU 9 H LEU 9 -4.234 1.221 -2.114
74 HA LEU 9 HA LEU 9 -6.036 -0.915 -1.838
75 1HB LEU 9 2HB LEU 9 -5.352 -0.255 -4.026
76 2HB LEU 9 1HB LEU 9 -3.659 -0.480 -3.633
77 HG LEU 9 HG LEU 9 -4.077 -2.925 -3.444
78 1HD1 LEU 9 1HD1 LEU 9 -6.589 -2.728 -4.963
79 2HD1 LEU 9 2HD1 LEU 9 -6.697 -2.293 -3.258
80 3HD1 LEU 9 3HD1 LEU 9 -6.094 -3.882 -3.726
81 1HD2 LEU 9 1HD2 LEU 9 -4.777 -2.972 -6.071
82 2HD2 LEU 9 2HD2 LEU 9 -3.152 -2.651 -5.468
83 3HD2 LEU 9 3HD2 LEU 9 -4.217 -1.310 -5.885
84 H ALA 10 H ALA 10 -2.585 -0.658 -1.336
85 HA ALA 10 HA ALA 10 -1.962 -3.305 -0.781
86 1HB ALA 10 1HB ALA 10 0.074 -2.466 -0.496
87 2HB ALA 10 2HB ALA 10 -0.446 -1.533 0.907
88 3HB ALA 10 3HB ALA 10 -0.619 -0.860 -0.712
89 H CYS 11 H CYS 11 -2.971 -0.731 1.477
90 HA CYS 11 HA CYS 11 -2.890 -2.373 3.788
91 1HB CYS 11 2HB CYS 11 -4.602 0.080 3.286
92 2HB CYS 11 1HB CYS 11 -4.296 -0.646 4.854
93 H ARG 12 H ARG 12 -5.488 -1.502 1.544
94 HA ARG 12 HA ARG 12 -7.615 -2.704 2.884
95 1HB ARG 12 2HB ARG 12 -7.995 -1.171 1.063
96 2HB ARG 12 1HB ARG 12 -7.191 -2.249 -0.069
97 1HG ARG 12 2HG ARG 12 -9.602 -2.351 -0.330
98 2HG ARG 12 1HG ARG 12 -8.967 -3.899 0.231
99 1HD ARG 12 2HD ARG 12 -9.590 -3.246 2.549
100 2HD ARG 12 1HD ARG 12 -10.340 -1.791 1.895
101 HE ARG 12 HE ARG 12 -12.137 -3.045 1.278
102 1HH1 ARG 12 1HH1 ARG 12 -9.457 -5.225 1.919
103 2HH1 ARG 12 2HH1 ARG 12 -10.403 -6.655 1.656
104 1HH2 ARG 12 1HH2 ARG 12 -13.376 -4.939 0.937
105 2HH2 ARG 12 2HH2 ARG 12 -12.630 -6.493 1.098
106 H ALA 13 H ALA 13 -5.434 -4.086 0.454
107 HA ALA 13 HA ALA 13 -6.769 -6.657 0.666
108 1HB ALA 13 1HB ALA 13 -4.272 -6.115 -0.906
109 2HB ALA 13 2HB ALA 13 -5.868 -5.658 -1.500
110 3HB ALA 13 3HB ALA 13 -5.498 -7.352 -1.178
111 H GLY 14 H GLY 14 -4.614 -5.079 2.481
112 1HA GLY 14 2HA GLY 14 -3.198 -5.709 4.178
113 2HA GLY 14 1HA GLY 14 -3.822 -7.330 3.980
114 H ILE 15 H ILE 15 -2.517 -5.877 1.228
115 HA ILE 15 HA ILE 15 -0.265 -7.728 1.303
116 HB ILE 15 HB ILE 15 0.088 -7.051 -1.076
117 1HG1 ILE 15 2HG1 ILE 15 -2.493 -5.527 -0.638
118 2HG1 ILE 15 1HG1 ILE 15 -0.916 -4.821 -0.971
119 1HG2 ILE 15 1HG2 ILE 15 -2.453 -7.940 -1.622
120 2HG2 ILE 15 2HG2 ILE 15 -2.183 -8.500 0.029
121 3HG2 ILE 15 3HG2 ILE 15 -1.061 -8.957 -1.252
122 1HD1 ILE 15 1HD1 ILE 15 -1.857 -6.769 -2.956
123 2HD1 ILE 15 2HD1 ILE 15 -1.073 -5.206 -3.175
124 3HD1 ILE 15 3HD1 ILE 15 -2.802 -5.284 -2.836
125 H GLY 16 H GLY 16 -0.614 -5.195 2.830
126 1HA GLY 16 2HA GLY 16 1.132 -3.206 1.900
127 2HA GLY 16 1HA GLY 16 0.745 -3.502 3.590
128 H HIS 17 H HIS 17 1.782 -6.022 3.952
129 HA HIS 17 HA HIS 17 4.535 -5.437 4.286
130 1HB HIS 17 2HB HIS 17 2.768 -7.741 4.872
131 2HB HIS 17 1HB HIS 17 4.490 -8.084 4.735
132 HD1 HIS 17 1HD HIS 17 2.624 -5.196 6.413
133 HD2 HIS 17 2HD HIS 17 5.468 -8.122 7.244
134 HE1 HIS 17 1HE HIS 17 3.319 -4.810 8.797
135 H LYS 18 H LYS 18 2.789 -6.657 1.651
136 HA LYS 18 HA LYS 18 5.019 -8.101 0.513
137 1HB LYS 18 2HB LYS 18 2.699 -8.864 0.126
138 2HB LYS 18 1HB LYS 18 2.361 -7.365 -0.726
139 1HG LYS 18 2HG LYS 18 2.732 -8.922 -2.417
140 2HG LYS 18 1HG LYS 18 4.250 -8.033 -2.306
141 1HD LYS 18 2HD LYS 18 3.761 -10.667 -0.920
142 2HD LYS 18 1HD LYS 18 4.463 -10.536 -2.531
143 1HE LYS 18 2HE LYS 18 5.599 -9.378 0.016
144 2HE LYS 18 1HE LYS 18 6.198 -10.799 -0.838
145 1HZ LYS 18 1HZ LYS 18 7.595 -9.147 -1.574
146 2HZ LYS 18 2HZ LYS 18 6.388 -7.959 -1.599
147 3HZ LYS 18 3HZ LYS 18 6.428 -9.154 -2.800
148 H TYR 19 H TYR 19 3.397 -5.006 0.141
149 HA TYR 19 HA TYR 19 5.156 -4.227 -2.058
150 1HB TYR 19 2HB TYR 19 2.841 -2.875 -0.672
151 2HB TYR 19 1HB TYR 19 3.838 -2.041 -1.856
152 HD1 TYR 19 1HD TYR 19 2.105 -1.645 -3.443
153 HD2 TYR 19 2HD TYR 19 2.901 -5.610 -2.126
154 HE1 TYR 19 1HE TYR 19 0.699 -2.524 -5.258
155 HE2 TYR 19 2HE TYR 19 1.497 -6.499 -3.937
156 HH TYR 19 HH TYR 19 0.580 -4.782 -6.567
157 HA PRO 20 HA PRO 20 8.168 -2.816 1.014
158 1HB PRO 20 2HB PRO 20 9.357 -1.685 -1.468
159 2HB PRO 20 1HB PRO 20 10.110 -2.660 -0.201
160 1HG PRO 20 2HG PRO 20 9.511 -3.742 -2.553
161 2HG PRO 20 1HG PRO 20 9.264 -4.651 -1.049
162 1HD PRO 20 2HD PRO 20 7.257 -3.267 -2.780
163 2HD PRO 20 1HD PRO 20 7.124 -4.809 -1.910
164 H PHE 21 H PHE 21 7.146 -0.720 -1.681
165 HA PHE 21 HA PHE 21 7.754 1.683 -0.295
166 1HB PHE 21 2HB PHE 21 6.373 2.748 -2.162
167 2HB PHE 21 1HB PHE 21 7.818 1.864 -2.629
168 HD1 PHE 21 1HD PHE 21 7.696 0.290 -4.301
169 HD2 PHE 21 2HD PHE 21 4.134 1.418 -2.266
170 HE1 PHE 21 1HE PHE 21 6.372 -1.037 -5.893
171 HE2 PHE 21 2HE PHE 21 2.804 0.089 -3.852
172 HZ PHE 21 HZ PHE 21 3.922 -1.141 -5.668
173 H CYS 22 H CYS 22 5.164 -0.469 -0.022
174 HA CYS 22 HA CYS 22 3.710 1.495 1.601
175 1HB CYS 22 2HB CYS 22 2.467 -0.321 -0.478
176 2HB CYS 22 1HB CYS 22 1.547 0.525 0.758
177 H HIS 23 H HIS 23 5.334 -0.083 2.827
178 HA HIS 23 HA HIS 23 4.482 -2.707 3.407
179 1HB HIS 23 2HB HIS 23 6.058 -2.465 5.418
180 2HB HIS 23 1HB HIS 23 6.753 -2.357 3.808
181 HD1 HIS 23 1HD HIS 23 7.466 0.062 2.997
182 HD2 HIS 23 2HD HIS 23 6.420 -0.253 7.016
183 HE1 HIS 23 1HE HIS 23 8.291 2.175 4.082
184 H CYS 24 H CYS 24 2.262 -1.621 3.613
185 HA CYS 24 HA CYS 24 1.475 -0.670 6.207
186 1HB CYS 24 2HB CYS 24 0.428 -0.133 3.946
187 2HB CYS 24 1HB CYS 24 -0.278 -1.740 4.000
188 H ARG 25 H ARG 25 -0.797 -1.925 6.738
189 HA ARG 25 HA ARG 25 0.038 -4.321 8.046
190 1HB ARG 25 2HB ARG 25 -2.612 -2.898 7.829
191 2HB ARG 25 1HB ARG 25 -2.450 -4.432 8.668
192 1HG ARG 25 2HG ARG 25 -2.378 -2.696 10.290
193 2HG ARG 25 1HG ARG 25 -0.753 -3.365 10.151
194 1HD ARG 25 2HD ARG 25 -0.651 -0.949 10.291
195 2HD ARG 25 1HD ARG 25 -0.121 -1.484 8.700
196 HE ARG 25 HE ARG 25 -1.815 -0.269 7.790
197 1HH1 ARG 25 1HH1 ARG 25 -2.625 -0.875 11.146
198 2HH1 ARG 25 2HH1 ARG 25 -4.073 0.073 11.102
199 1HH2 ARG 25 1HH2 ARG 25 -3.721 0.988 7.729
200 2HH2 ARG 25 2HH2 ARG 25 -4.698 1.137 9.152
201 1HN NH2 26 1H ARG 25 -2.143 -6.027 7.857
202 2HN NH2 26 2H ARG 25 -1.825 -6.864 6.380
Start of MODEL 3
1 1H PHE 1 1HT PHE 1 6.062 13.144 3.517
2 2H PHE 1 2HT PHE 1 6.787 14.541 2.895
3 3H PHE 1 3HT PHE 1 7.710 13.144 3.131
4 HA PHE 1 HA PHE 1 6.549 13.892 0.804
5 1HB PHE 1 2HB PHE 1 7.480 11.213 1.856
6 2HB PHE 1 1HB PHE 1 7.050 11.464 0.169
7 HD1 PHE 1 1HD PHE 1 8.844 11.665 -1.215
8 HD2 PHE 1 2HD PHE 1 9.121 13.277 2.713
9 HE1 PHE 1 1HE PHE 1 11.134 12.423 -1.693
10 HE2 PHE 1 2HE PHE 1 11.413 14.041 2.241
11 HZ PHE 1 HZ PHE 1 12.421 13.614 0.036
12 HA PRO 2 HA PRO 2 2.295 12.688 0.986
13 1HB PRO 2 2HB PRO 2 1.806 12.317 -1.672
14 2HB PRO 2 1HB PRO 2 1.943 13.913 -0.925
15 1HG PRO 2 2HG PRO 2 3.979 12.366 -2.477
16 2HG PRO 2 1HG PRO 2 3.596 14.097 -2.544
17 1HD PRO 2 2HD PRO 2 5.734 13.127 -1.196
18 2HD PRO 2 1HD PRO 2 4.850 14.573 -0.669
19 H ARG 3 H ARG 3 1.345 10.788 1.420
20 HA ARG 3 HA ARG 3 2.696 8.346 0.997
21 1HB ARG 3 2HB ARG 3 0.643 7.301 1.936
22 2HB ARG 3 1HB ARG 3 1.297 8.590 2.934
23 1HG ARG 3 2HG ARG 3 -0.412 10.119 1.923
24 2HG ARG 3 1HG ARG 3 -1.130 8.697 1.162
25 1HD ARG 3 2HD ARG 3 -0.716 9.049 4.130
26 2HD ARG 3 1HD ARG 3 -2.238 9.325 3.285
27 HE ARG 3 HE ARG 3 -1.094 6.797 4.031
28 1HH1 ARG 3 1HH1 ARG 3 -3.331 8.403 1.868
29 2HH1 ARG 3 2HH1 ARG 3 -4.211 6.953 1.497
30 1HH2 ARG 3 1HH2 ARG 3 -2.269 4.884 3.539
31 2HH2 ARG 3 2HH2 ARG 3 -3.610 4.967 2.440
32 HA PRO 4 HA PRO 4 1.583 7.400 -3.165
33 1HB PRO 4 2HB PRO 4 1.841 4.602 -2.191
34 2HB PRO 4 1HB PRO 4 2.630 5.395 -3.559
35 1HG PRO 4 2HG PRO 4 3.980 4.888 -1.322
36 2HG PRO 4 1HG PRO 4 4.241 6.393 -2.223
37 1HD PRO 4 2HD PRO 4 2.710 5.938 0.303
38 2HD PRO 4 1HD PRO 4 3.727 7.313 -0.168
39 H ARG 5 H ARG 5 -0.261 6.979 -4.214
40 HA ARG 5 HA ARG 5 -2.664 6.573 -2.793
41 1HB ARG 5 2HB ARG 5 -2.131 6.340 -5.759
42 2HB ARG 5 1HB ARG 5 -3.722 6.451 -5.019
43 1HG ARG 5 2HG ARG 5 -1.579 8.565 -4.893
44 2HG ARG 5 1HG ARG 5 -2.994 8.589 -5.947
45 1HD ARG 5 2HD ARG 5 -4.454 8.604 -3.978
46 2HD ARG 5 1HD ARG 5 -3.037 8.587 -2.929
47 HE ARG 5 HE ARG 5 -4.162 10.841 -4.284
48 1HH1 ARG 5 1HH1 ARG 5 -1.209 9.539 -2.908
49 2HH1 ARG 5 2HH1 ARG 5 -0.424 11.077 -2.812
50 1HH2 ARG 5 1HH2 ARG 5 -3.127 12.876 -4.145
51 2HH2 ARG 5 2HH2 ARG 5 -1.518 12.979 -3.515
52 H ILE 6 H ILE 6 -0.476 4.418 -4.403
53 HA ILE 6 HA ILE 6 -2.138 2.172 -4.707
54 HB ILE 6 HB ILE 6 0.822 2.139 -4.157
55 1HG1 ILE 6 2HG1 ILE 6 -0.577 2.421 -6.829
56 2HG1 ILE 6 1HG1 ILE 6 0.239 3.730 -5.980
57 1HG2 ILE 6 1HG2 ILE 6 -0.845 0.030 -4.355
58 2HG2 ILE 6 2HG2 ILE 6 0.852 -0.014 -4.838
59 3HG2 ILE 6 3HG2 ILE 6 -0.404 0.241 -6.049
60 1HD1 ILE 6 1HD1 ILE 6 2.325 2.280 -6.092
61 2HD1 ILE 6 2HD1 ILE 6 1.757 3.002 -7.599
62 3HD1 ILE 6 3HD1 ILE 6 1.436 1.301 -7.261
63 H CYS 7 H CYS 7 -0.252 3.373 -2.015
64 HA CYS 7 HA CYS 7 -0.201 1.167 -0.348
65 1HB CYS 7 2HB CYS 7 -0.438 4.100 0.312
66 2HB CYS 7 1HB CYS 7 -0.184 2.859 1.525
67 H ASN 8 H ASN 8 -2.827 3.308 -1.111
68 HA ASN 8 HA ASN 8 -4.539 2.704 1.054
69 1HB ASN 8 2HB ASN 8 -5.235 3.473 -1.789
70 2HB ASN 8 1HB ASN 8 -6.390 3.410 -0.464
71 1HD2 ASN 8 1HD2 ASN 8 -4.825 5.487 -2.262
72 2HD2 ASN 8 2HD2 ASN 8 -4.538 6.766 -1.136
73 H LEU 9 H LEU 9 -4.210 1.259 -2.144
74 HA LEU 9 HA LEU 9 -6.182 -0.752 -1.785
75 1HB LEU 9 2HB LEU 9 -3.845 -1.172 -3.590
76 2HB LEU 9 1HB LEU 9 -5.538 -1.545 -3.861
77 HG LEU 9 HG LEU 9 -4.380 1.237 -3.870
78 1HD1 LEU 9 1HD1 LEU 9 -4.330 -0.826 -5.869
79 2HD1 LEU 9 2HD1 LEU 9 -3.630 0.792 -5.911
80 3HD1 LEU 9 3HD1 LEU 9 -5.298 0.539 -6.421
81 1HD2 LEU 9 1HD2 LEU 9 -6.474 1.994 -4.584
82 2HD2 LEU 9 2HD2 LEU 9 -6.856 0.844 -3.304
83 3HD2 LEU 9 3HD2 LEU 9 -7.026 0.370 -4.993
84 H ALA 10 H ALA 10 -2.748 -0.518 -1.344
85 HA ALA 10 HA ALA 10 -2.087 -3.170 -0.835
86 1HB ALA 10 1HB ALA 10 -0.468 -1.324 -1.165
87 2HB ALA 10 2HB ALA 10 -0.093 -2.348 0.220
88 3HB ALA 10 3HB ALA 10 -0.826 -0.763 0.468
89 H CYS 11 H CYS 11 -3.104 -0.659 1.507
90 HA CYS 11 HA CYS 11 -2.906 -2.346 3.779
91 1HB CYS 11 2HB CYS 11 -4.900 -0.083 3.516
92 2HB CYS 11 1HB CYS 11 -4.162 -0.701 4.982
93 H ARG 12 H ARG 12 -5.611 -1.505 1.651
94 HA ARG 12 HA ARG 12 -7.649 -2.839 2.989
95 1HB ARG 12 2HB ARG 12 -8.072 -1.247 1.195
96 2HB ARG 12 1HB ARG 12 -7.339 -2.338 0.028
97 1HG ARG 12 2HG ARG 12 -9.113 -3.978 0.469
98 2HG ARG 12 1HG ARG 12 -9.859 -2.845 1.596
99 1HD ARG 12 2HD ARG 12 -10.943 -2.793 -0.602
100 2HD ARG 12 1HD ARG 12 -10.202 -1.247 -0.198
101 HE ARG 12 HE ARG 12 -8.952 -1.451 -2.077
102 1HH1 ARG 12 1HH1 ARG 12 -9.841 -4.690 -1.073
103 2HH1 ARG 12 2HH1 ARG 12 -9.075 -5.457 -2.423
104 1HH2 ARG 12 1HH2 ARG 12 -7.947 -2.461 -3.865
105 2HH2 ARG 12 2HH2 ARG 12 -7.997 -4.186 -4.017
106 H ALA 13 H ALA 13 -5.454 -4.056 0.490
107 HA ALA 13 HA ALA 13 -6.681 -6.686 0.636
108 1HB ALA 13 1HB ALA 13 -4.504 -7.011 -0.966
109 2HB ALA 13 2HB ALA 13 -4.876 -5.305 -1.210
110 3HB ALA 13 3HB ALA 13 -6.106 -6.530 -1.527
111 H GLY 14 H GLY 14 -4.628 -5.091 2.517
112 1HA GLY 14 2HA GLY 14 -3.131 -5.685 4.150
113 2HA GLY 14 1HA GLY 14 -3.723 -7.316 3.952
114 H ILE 15 H ILE 15 -2.437 -5.782 1.210
115 HA ILE 15 HA ILE 15 -0.219 -7.655 1.215
116 HB ILE 15 HB ILE 15 0.201 -6.784 -1.111
117 1HG1 ILE 15 2HG1 ILE 15 -2.428 -5.369 -0.606
118 2HG1 ILE 15 1HG1 ILE 15 -0.869 -4.594 -0.863
119 1HG2 ILE 15 1HG2 ILE 15 -2.052 -7.797 -1.967
120 2HG2 ILE 15 2HG2 ILE 15 -2.299 -8.167 -0.260
121 3HG2 ILE 15 3HG2 ILE 15 -0.890 -8.806 -1.105
122 1HD1 ILE 15 1HD1 ILE 15 -0.812 -5.288 -3.131
123 2HD1 ILE 15 2HD1 ILE 15 -2.405 -4.593 -2.829
124 3HD1 ILE 15 3HD1 ILE 15 -2.206 -6.344 -2.905
125 H GLY 16 H GLY 16 -0.493 -5.182 2.889
126 1HA GLY 16 2HA GLY 16 1.398 -3.252 2.087
127 2HA GLY 16 1HA GLY 16 0.933 -3.589 3.751
128 H HIS 17 H HIS 17 1.786 -6.315 3.776
129 HA HIS 17 HA HIS 17 4.521 -5.923 4.434
130 1HB HIS 17 2HB HIS 17 2.895 -7.595 5.489
131 2HB HIS 17 1HB HIS 17 3.177 -8.602 4.075
132 HD1 HIS 17 1HD HIS 17 4.003 -10.188 6.218
133 HD2 HIS 17 2HD HIS 17 6.488 -7.077 5.016
134 HE1 HIS 17 1HE HIS 17 6.270 -10.733 7.158
135 H LYS 18 H LYS 18 2.859 -6.995 1.613
136 HA LYS 18 HA LYS 18 5.187 -8.166 0.380
137 1HB LYS 18 2HB LYS 18 3.020 -9.118 -0.115
138 2HB LYS 18 1HB LYS 18 2.423 -7.566 -0.682
139 1HG LYS 18 2HG LYS 18 2.920 -9.070 -2.533
140 2HG LYS 18 1HG LYS 18 3.952 -7.641 -2.570
141 1HD LYS 18 2HD LYS 18 5.276 -9.591 -3.080
142 2HD LYS 18 1HD LYS 18 5.753 -8.965 -1.502
143 1HE LYS 18 2HE LYS 18 4.369 -10.670 -0.415
144 2HE LYS 18 1HE LYS 18 3.904 -11.297 -1.995
145 1HZ LYS 18 1HZ LYS 18 6.650 -11.250 -0.865
146 2HZ LYS 18 2HZ LYS 18 6.255 -11.782 -2.421
147 3HZ LYS 18 3HZ LYS 18 5.674 -12.617 -1.070
148 H TYR 19 H TYR 19 3.481 -5.096 0.266
149 HA TYR 19 HA TYR 19 5.086 -4.178 -1.979
150 1HB TYR 19 2HB TYR 19 2.819 -2.997 -0.407
151 2HB TYR 19 1HB TYR 19 3.792 -1.985 -1.468
152 HD1 TYR 19 1HD TYR 19 2.839 -5.513 -2.121
153 HD2 TYR 19 2HD TYR 19 2.168 -1.424 -3.082
154 HE1 TYR 19 1HE TYR 19 1.463 -6.195 -4.041
155 HE2 TYR 19 2HE TYR 19 0.791 -2.096 -5.003
156 HH TYR 19 HH TYR 19 0.842 -4.879 -6.421
157 HA PRO 20 HA PRO 20 8.327 -2.846 0.829
158 1HB PRO 20 2HB PRO 20 9.775 -1.616 -1.187
159 2HB PRO 20 1HB PRO 20 9.910 -3.317 -0.733
160 1HG PRO 20 2HG PRO 20 8.371 -2.064 -2.966
161 2HG PRO 20 1HG PRO 20 9.289 -3.582 -2.945
162 1HD PRO 20 2HD PRO 20 6.610 -3.556 -2.793
163 2HD PRO 20 1HD PRO 20 7.579 -4.746 -1.899
164 H PHE 21 H PHE 21 7.067 -0.714 -1.726
165 HA PHE 21 HA PHE 21 7.696 1.644 -0.192
166 1HB PHE 21 2HB PHE 21 6.549 2.813 -2.139
167 2HB PHE 21 1HB PHE 21 8.001 1.897 -2.517
168 HD1 PHE 21 1HD PHE 21 4.294 1.398 -2.380
169 HD2 PHE 21 2HD PHE 21 7.962 0.552 -4.366
170 HE1 PHE 21 1HE PHE 21 3.067 0.152 -4.110
171 HE2 PHE 21 2HE PHE 21 6.740 -0.694 -6.099
172 HZ PHE 21 HZ PHE 21 4.289 -0.894 -5.973
173 H CYS 22 H CYS 22 5.383 -0.534 0.276
174 HA CYS 22 HA CYS 22 3.606 1.427 1.487
175 1HB CYS 22 2HB CYS 22 2.708 -0.549 -0.615
176 2HB CYS 22 1HB CYS 22 1.596 0.122 0.571
177 H HIS 23 H HIS 23 5.194 0.062 3.006
178 HA HIS 23 HA HIS 23 4.270 -2.549 3.703
179 1HB HIS 23 2HB HIS 23 6.255 -0.667 4.931
180 2HB HIS 23 1HB HIS 23 5.745 -2.117 5.791
181 HD1 HIS 23 1HD HIS 23 5.624 -4.030 3.324
182 HD2 HIS 23 2HD HIS 23 8.778 -1.468 4.211
183 HE1 HIS 23 1HE HIS 23 7.655 -5.072 2.269
184 H CYS 24 H CYS 24 2.089 -1.288 3.687
185 HA CYS 24 HA CYS 24 1.292 -0.140 6.200
186 1HB CYS 24 2HB CYS 24 0.396 0.487 3.935
187 2HB CYS 24 1HB CYS 24 -0.405 -1.076 3.887
188 H ARG 25 H ARG 25 -0.828 -1.052 7.149
189 HA ARG 25 HA ARG 25 -1.123 -3.916 7.062
190 1HB ARG 25 2HB ARG 25 0.762 -3.701 8.620
191 2HB ARG 25 1HB ARG 25 -0.160 -2.569 9.598
192 1HG ARG 25 2HG ARG 25 -0.139 -4.769 10.615
193 2HG ARG 25 1HG ARG 25 -1.774 -4.331 10.119
194 1HD ARG 25 2HD ARG 25 -1.450 -5.664 8.050
195 2HD ARG 25 1HD ARG 25 0.121 -6.172 8.665
196 HE ARG 25 HE ARG 25 -0.936 -7.690 9.990
197 1HH1 ARG 25 1HH1 ARG 25 -3.308 -5.303 8.980
198 2HH1 ARG 25 2HH1 ARG 25 -4.636 -6.132 9.725
199 1HH2 ARG 25 1HH2 ARG 25 -2.697 -8.777 10.968
200 2HH2 ARG 25 2HH2 ARG 25 -4.289 -8.106 10.856
201 1HN NH2 26 1H ARG 25 -3.198 -0.955 7.540
202 2HN NH2 26 2H ARG 25 -2.510 -0.969 9.125
Start of MODEL 4
1 1H PHE 1 1HT PHE 1 9.098 15.508 -3.264
2 2H PHE 1 2HT PHE 1 9.847 14.491 -2.140
3 3H PHE 1 3HT PHE 1 8.210 14.279 -2.515
4 HA PHE 1 HA PHE 1 9.789 14.179 -4.857
5 1HB PHE 1 2HB PHE 1 10.926 12.022 -4.304
6 2HB PHE 1 1HB PHE 1 11.559 13.391 -3.400
7 HD1 PHE 1 1HD PHE 1 9.193 10.527 -3.106
8 HD2 PHE 1 2HD PHE 1 11.741 13.280 -1.096
9 HE1 PHE 1 1HE PHE 1 8.856 9.297 -1.003
10 HE2 PHE 1 2HE PHE 1 11.409 12.054 1.011
11 HZ PHE 1 HZ PHE 1 9.965 10.060 1.058
12 HA PRO 2 HA PRO 2 6.221 11.873 -6.015
13 1HB PRO 2 2HB PRO 2 7.288 9.931 -7.647
14 2HB PRO 2 1HB PRO 2 6.989 11.598 -8.150
15 1HG PRO 2 2HG PRO 2 9.534 10.314 -7.251
16 2HG PRO 2 1HG PRO 2 9.265 11.476 -8.564
17 1HD PRO 2 2HD PRO 2 10.287 12.230 -6.198
18 2HD PRO 2 1HD PRO 2 9.193 13.283 -7.119
19 H ARG 3 H ARG 3 5.026 10.199 -5.256
20 HA ARG 3 HA ARG 3 6.291 7.782 -4.279
21 1HB ARG 3 2HB ARG 3 6.505 9.247 -2.347
22 2HB ARG 3 1HB ARG 3 4.808 9.686 -2.453
23 1HG ARG 3 2HG ARG 3 5.105 8.136 -0.658
24 2HG ARG 3 1HG ARG 3 4.210 7.341 -1.952
25 1HD ARG 3 2HD ARG 3 6.176 6.160 -2.665
26 2HD ARG 3 1HD ARG 3 7.185 7.068 -1.539
27 HE ARG 3 HE ARG 3 5.630 4.747 -0.962
28 1HH1 ARG 3 1HH1 ARG 3 6.845 7.720 0.437
29 2HH1 ARG 3 2HH1 ARG 3 6.739 7.149 2.067
30 1HH2 ARG 3 1HH2 ARG 3 5.482 3.985 1.179
31 2HH2 ARG 3 2HH2 ARG 3 5.961 5.015 2.494
32 HA PRO 4 HA PRO 4 2.424 6.451 -6.109
33 1HB PRO 4 2HB PRO 4 3.227 3.825 -5.026
34 2HB PRO 4 1HB PRO 4 2.896 4.296 -6.696
35 1HG PRO 4 2HG PRO 4 5.388 3.793 -5.844
36 2HG PRO 4 1HG PRO 4 5.049 5.045 -7.053
37 1HD PRO 4 2HD PRO 4 5.633 5.335 -4.134
38 2HD PRO 4 1HD PRO 4 6.170 6.337 -5.496
39 H ARG 5 H ARG 5 0.517 6.676 -5.131
40 HA ARG 5 HA ARG 5 0.295 6.197 -2.276
41 1HB ARG 5 2HB ARG 5 -1.722 7.317 -4.230
42 2HB ARG 5 1HB ARG 5 -1.905 7.273 -2.482
43 1HG ARG 5 2HG ARG 5 0.174 8.820 -4.017
44 2HG ARG 5 1HG ARG 5 -1.250 9.482 -3.214
45 1HD ARG 5 2HD ARG 5 1.003 8.023 -1.837
46 2HD ARG 5 1HD ARG 5 0.819 9.774 -1.898
47 HE ARG 5 HE ARG 5 -0.507 7.974 -0.141
48 1HH1 ARG 5 1HH1 ARG 5 -0.921 10.995 -1.860
49 2HH1 ARG 5 2HH1 ARG 5 -2.135 11.596 -0.783
50 1HH2 ARG 5 1HH2 ARG 5 -2.107 8.767 1.297
51 2HH2 ARG 5 2HH2 ARG 5 -2.811 10.324 1.022
52 H ILE 6 H ILE 6 0.627 3.919 -3.971
53 HA ILE 6 HA ILE 6 -1.848 2.554 -4.390
54 HB ILE 6 HB ILE 6 0.810 1.233 -3.977
55 1HG1 ILE 6 2HG1 ILE 6 1.166 3.085 -5.551
56 2HG1 ILE 6 1HG1 ILE 6 1.278 1.535 -6.377
57 1HG2 ILE 6 1HG2 ILE 6 -1.351 -0.082 -4.249
58 2HG2 ILE 6 2HG2 ILE 6 -0.014 -0.515 -5.314
59 3HG2 ILE 6 3HG2 ILE 6 -1.344 0.469 -5.924
60 1HD1 ILE 6 1HD1 ILE 6 0.030 2.760 -7.854
61 2HD1 ILE 6 2HD1 ILE 6 -0.811 3.644 -6.581
62 3HD1 ILE 6 3HD1 ILE 6 -1.236 1.966 -6.916
63 H CYS 7 H CYS 7 -0.053 3.316 -1.681
64 HA CYS 7 HA CYS 7 -0.151 1.172 0.028
65 1HB CYS 7 2HB CYS 7 -0.611 4.095 0.639
66 2HB CYS 7 1HB CYS 7 -0.288 2.868 1.849
67 H ASN 8 H ASN 8 -2.721 3.215 -1.051
68 HA ASN 8 HA ASN 8 -4.662 2.660 0.920
69 1HB ASN 8 2HB ASN 8 -6.285 3.511 -0.631
70 2HB ASN 8 1HB ASN 8 -4.823 4.459 -0.814
71 1HD2 ASN 8 1HD2 ASN 8 -7.233 3.482 -2.535
72 2HD2 ASN 8 2HD2 ASN 8 -6.472 3.092 -4.035
73 H LEU 9 H LEU 9 -4.098 1.203 -2.222
74 HA LEU 9 HA LEU 9 -6.000 -0.880 -1.971
75 1HB LEU 9 2HB LEU 9 -5.278 -0.284 -4.154
76 2HB LEU 9 1HB LEU 9 -3.590 -0.482 -3.726
77 HG LEU 9 HG LEU 9 -3.991 -2.931 -3.495
78 1HD1 LEU 9 1HD1 LEU 9 -6.471 -2.765 -5.077
79 2HD1 LEU 9 2HD1 LEU 9 -6.613 -2.332 -3.373
80 3HD1 LEU 9 3HD1 LEU 9 -5.990 -3.917 -3.832
81 1HD2 LEU 9 1HD2 LEU 9 -4.705 -1.825 -6.207
82 2HD2 LEU 9 2HD2 LEU 9 -3.945 -3.377 -5.853
83 3HD2 LEU 9 3HD2 LEU 9 -3.071 -1.877 -5.546
84 H ALA 10 H ALA 10 -2.562 -0.653 -1.386
85 HA ALA 10 HA ALA 10 -1.988 -3.306 -0.794
86 1HB ALA 10 1HB ALA 10 -0.072 -2.098 -0.975
87 2HB ALA 10 2HB ALA 10 -0.215 -2.119 0.783
88 3HB ALA 10 3HB ALA 10 -0.738 -0.702 -0.128
89 H CYS 11 H CYS 11 -2.996 -0.706 1.431
90 HA CYS 11 HA CYS 11 -2.935 -2.313 3.760
91 1HB CYS 11 2HB CYS 11 -4.606 0.154 3.180
92 2HB CYS 11 1HB CYS 11 -4.393 -0.564 4.767
93 H ARG 12 H ARG 12 -5.491 -1.583 1.422
94 HA ARG 12 HA ARG 12 -7.629 -2.714 2.837
95 1HB ARG 12 2HB ARG 12 -7.893 -1.218 0.884
96 2HB ARG 12 1HB ARG 12 -7.309 -2.509 -0.161
97 1HG ARG 12 2HG ARG 12 -9.218 -3.885 0.428
98 2HG ARG 12 1HG ARG 12 -9.788 -2.647 1.545
99 1HD ARG 12 2HD ARG 12 -11.049 -2.474 -0.483
100 2HD ARG 12 1HD ARG 12 -9.975 -1.081 -0.373
101 HE ARG 12 HE ARG 12 -8.656 -3.040 -1.852
102 1HH1 ARG 12 1HH1 ARG 12 -11.508 -1.034 -2.115
103 2HH1 ARG 12 2HH1 ARG 12 -11.483 -0.985 -3.846
104 1HH2 ARG 12 1HH2 ARG 12 -8.613 -2.986 -4.152
105 2HH2 ARG 12 2HH2 ARG 12 -9.831 -2.100 -5.009
106 H ALA 13 H ALA 13 -5.490 -4.154 0.401
107 HA ALA 13 HA ALA 13 -6.778 -6.732 0.735
108 1HB ALA 13 1HB ALA 13 -5.831 -7.331 -1.222
109 2HB ALA 13 2HB ALA 13 -4.288 -6.573 -0.828
110 3HB ALA 13 3HB ALA 13 -5.631 -5.590 -1.413
111 H GLY 14 H GLY 14 -4.694 -5.092 2.533
112 1HA GLY 14 2HA GLY 14 -3.233 -5.642 4.215
113 2HA GLY 14 1HA GLY 14 -3.835 -7.275 4.072
114 H ILE 15 H ILE 15 -2.529 -5.854 1.290
115 HA ILE 15 HA ILE 15 -0.292 -7.713 1.394
116 HB ILE 15 HB ILE 15 0.096 -7.019 -0.986
117 1HG1 ILE 15 2HG1 ILE 15 -2.508 -5.536 -0.556
118 2HG1 ILE 15 1HG1 ILE 15 -0.942 -4.813 -0.903
119 1HG2 ILE 15 1HG2 ILE 15 -2.449 -8.287 -0.060
120 2HG2 ILE 15 2HG2 ILE 15 -1.023 -9.033 -0.780
121 3HG2 ILE 15 3HG2 ILE 15 -2.126 -8.092 -1.784
122 1HD1 ILE 15 1HD1 ILE 15 -2.456 -4.898 -2.851
123 2HD1 ILE 15 2HD1 ILE 15 -2.410 -6.659 -2.769
124 3HD1 ILE 15 3HD1 ILE 15 -0.935 -5.754 -3.107
125 H GLY 16 H GLY 16 -0.569 -5.192 2.950
126 1HA GLY 16 2HA GLY 16 1.218 -3.234 2.005
127 2HA GLY 16 1HA GLY 16 0.840 -3.531 3.697
128 H HIS 17 H HIS 17 1.804 -6.168 3.889
129 HA HIS 17 HA HIS 17 4.545 -5.668 4.359
130 1HB HIS 17 2HB HIS 17 2.940 -8.219 4.337
131 2HB HIS 17 1HB HIS 17 4.662 -8.196 4.698
132 HD1 HIS 17 1HD HIS 17 3.205 -9.259 6.940
133 HD2 HIS 17 2HD HIS 17 3.472 -5.146 6.392
134 HE1 HIS 17 1HE HIS 17 2.750 -8.248 9.196
135 H LYS 18 H LYS 18 2.801 -6.988 1.696
136 HA LYS 18 HA LYS 18 5.024 -8.130 0.323
137 1HB LYS 18 2HB LYS 18 2.809 -8.964 -0.116
138 2HB LYS 18 1HB LYS 18 2.242 -7.364 -0.567
139 1HG LYS 18 2HG LYS 18 3.934 -7.473 -2.463
140 2HG LYS 18 1HG LYS 18 4.067 -9.193 -2.088
141 1HD LYS 18 2HD LYS 18 1.736 -9.533 -2.530
142 2HD LYS 18 1HD LYS 18 1.465 -7.797 -2.694
143 1HE LYS 18 2HE LYS 18 3.058 -7.832 -4.633
144 2HE LYS 18 1HE LYS 18 3.049 -9.593 -4.522
145 1HZ LYS 18 1HZ LYS 18 0.954 -7.775 -5.438
146 2HZ LYS 18 2HZ LYS 18 0.461 -9.171 -4.620
147 3HZ LYS 18 3HZ LYS 18 1.394 -9.301 -6.024
148 H TYR 19 H TYR 19 3.381 -5.003 0.230
149 HA TYR 19 HA TYR 19 5.007 -4.137 -2.022
150 1HB TYR 19 2HB TYR 19 2.780 -2.849 -0.461
151 2HB TYR 19 1HB TYR 19 3.743 -1.930 -1.613
152 HD1 TYR 19 1HD TYR 19 2.107 -1.455 -3.254
153 HD2 TYR 19 2HD TYR 19 2.687 -5.467 -1.971
154 HE1 TYR 19 1HE TYR 19 0.683 -2.247 -5.097
155 HE2 TYR 19 2HE TYR 19 1.270 -6.267 -3.805
156 HH TYR 19 HH TYR 19 -0.344 -4.015 -6.006
157 HA PRO 20 HA PRO 20 8.302 -2.808 0.706
158 1HB PRO 20 2HB PRO 20 9.239 -1.603 -1.840
159 2HB PRO 20 1HB PRO 20 10.088 -2.673 -0.719
160 1HG PRO 20 2HG PRO 20 9.189 -3.585 -3.056
161 2HG PRO 20 1HG PRO 20 9.109 -4.584 -1.592
162 1HD PRO 20 2HD PRO 20 6.936 -3.054 -2.968
163 2HD PRO 20 1HD PRO 20 6.876 -4.653 -2.198
164 H PHE 21 H PHE 21 7.006 -0.641 -1.807
165 HA PHE 21 HA PHE 21 7.723 1.702 -0.317
166 1HB PHE 21 2HB PHE 21 6.437 2.893 -2.144
167 2HB PHE 21 1HB PHE 21 7.818 1.938 -2.666
168 HD1 PHE 21 1HD PHE 21 4.120 1.625 -2.217
169 HD2 PHE 21 2HD PHE 21 7.567 0.533 -4.459
170 HE1 PHE 21 1HE PHE 21 2.692 0.435 -3.826
171 HE2 PHE 21 2HE PHE 21 6.145 -0.658 -6.073
172 HZ PHE 21 HZ PHE 21 3.701 -0.709 -5.758
173 H CYS 22 H CYS 22 5.353 -0.463 0.239
174 HA CYS 22 HA CYS 22 3.786 1.482 1.730
175 1HB CYS 22 2HB CYS 22 2.603 -0.275 -0.428
176 2HB CYS 22 1HB CYS 22 1.636 0.422 0.865
177 H HIS 23 H HIS 23 5.325 -0.019 3.077
178 HA HIS 23 HA HIS 23 4.488 -2.686 3.551
179 1HB HIS 23 2HB HIS 23 6.404 -0.850 4.932
180 2HB HIS 23 1HB HIS 23 5.936 -2.369 5.691
181 HD1 HIS 23 1HD HIS 23 5.908 -4.193 3.203
182 HD2 HIS 23 2HD HIS 23 8.917 -1.457 4.064
183 HE1 HIS 23 1HE HIS 23 7.960 -5.071 2.055
184 H CYS 24 H CYS 24 2.241 -1.580 3.675
185 HA CYS 24 HA CYS 24 1.359 -0.706 6.266
186 1HB CYS 24 2HB CYS 24 0.378 -0.124 3.980
187 2HB CYS 24 1HB CYS 24 -0.326 -1.735 3.991
188 H ARG 25 H ARG 25 -0.929 -2.011 6.673
189 HA ARG 25 HA ARG 25 -0.186 -4.321 8.092
190 1HB ARG 25 2HB ARG 25 -2.961 -3.548 7.166
191 2HB ARG 25 1HB ARG 25 -2.568 -4.640 8.485
192 1HG ARG 25 2HG ARG 25 -1.578 -2.795 9.732
193 2HG ARG 25 1HG ARG 25 -1.946 -1.695 8.402
194 1HD ARG 25 2HD ARG 25 -3.943 -3.229 10.064
195 2HD ARG 25 1HD ARG 25 -3.615 -1.501 10.161
196 HE ARG 25 HE ARG 25 -5.323 -2.816 8.308
197 1HH1 ARG 25 1HH1 ARG 25 -3.161 -0.075 8.624
198 2HH1 ARG 25 2HH1 ARG 25 -3.903 0.825 7.345
199 1HH2 ARG 25 1HH2 ARG 25 -6.313 -1.630 6.624
200 2HH2 ARG 25 2HH2 ARG 25 -5.712 -0.057 6.213
201 1HN NH2 26 1H ARG 25 -0.742 -6.551 7.686
202 2HN NH2 26 2H ARG 25 -1.462 -7.084 6.207
Start of MODEL 5
1 1H PHE 1 1HT PHE 1 -2.340 13.358 7.569
2 2H PHE 1 2HT PHE 1 -0.873 12.580 7.890
3 3H PHE 1 3HT PHE 1 -2.179 11.702 7.268
4 HA PHE 1 HA PHE 1 -1.535 13.910 5.609
5 1HB PHE 1 2HB PHE 1 0.628 12.932 4.796
6 2HB PHE 1 1HB PHE 1 0.719 13.615 6.412
7 HD1 PHE 1 1HD PHE 1 1.545 12.354 8.174
8 HD2 PHE 1 2HD PHE 1 0.337 10.385 4.599
9 HE1 PHE 1 1HE PHE 1 2.505 10.249 9.012
10 HE2 PHE 1 2HE PHE 1 1.289 8.277 5.434
11 HZ PHE 1 HZ PHE 1 2.374 8.206 7.643
12 HA PRO 2 HA PRO 2 -3.656 11.111 2.946
13 1HB PRO 2 2HB PRO 2 -2.747 11.899 0.503
14 2HB PRO 2 1HB PRO 2 -3.915 12.830 1.447
15 1HG PRO 2 2HG PRO 2 -0.965 13.226 1.157
16 2HG PRO 2 1HG PRO 2 -2.261 14.435 1.175
17 1HD PRO 2 2HD PRO 2 -0.707 13.928 3.334
18 2HD PRO 2 1HD PRO 2 -2.404 14.433 3.474
19 H ARG 3 H ARG 3 -3.326 9.054 2.372
20 HA ARG 3 HA ARG 3 -0.598 8.091 2.104
21 1HB ARG 3 2HB ARG 3 -3.168 6.499 2.114
22 2HB ARG 3 1HB ARG 3 -1.538 5.868 2.304
23 1HG ARG 3 2HG ARG 3 -1.341 7.116 4.423
24 2HG ARG 3 1HG ARG 3 -3.016 7.640 4.237
25 1HD ARG 3 2HD ARG 3 -1.982 4.838 4.620
26 2HD ARG 3 1HD ARG 3 -3.034 5.761 5.692
27 HE ARG 3 HE ARG 3 -4.251 5.460 3.156
28 1HH1 ARG 3 1HH1 ARG 3 -3.495 3.652 6.054
29 2HH1 ARG 3 2HH1 ARG 3 -4.775 2.510 5.830
30 1HH2 ARG 3 1HH2 ARG 3 -5.930 3.968 2.843
31 2HH2 ARG 3 2HH2 ARG 3 -6.175 2.691 3.993
32 HA PRO 4 HA PRO 4 -0.527 7.933 -2.315
33 1HB PRO 4 2HB PRO 4 0.755 5.276 -1.909
34 2HB PRO 4 1HB PRO 4 1.315 6.661 -2.852
35 1HG PRO 4 2HG PRO 4 2.428 6.084 -0.506
36 2HG PRO 4 1HG PRO 4 2.137 7.768 -0.983
37 1HD PRO 4 2HD PRO 4 0.625 6.053 0.942
38 2HD PRO 4 1HD PRO 4 0.999 7.787 1.025
39 H ARG 5 H ARG 5 -1.852 7.158 -3.868
40 HA ARG 5 HA ARG 5 -4.136 5.757 -3.305
41 1HB ARG 5 2HB ARG 5 -4.403 5.435 -5.741
42 2HB ARG 5 1HB ARG 5 -3.940 7.075 -5.314
43 1HG ARG 5 2HG ARG 5 -1.641 6.612 -5.969
44 2HG ARG 5 1HG ARG 5 -2.083 4.952 -6.367
45 1HD ARG 5 2HD ARG 5 -3.221 7.423 -7.670
46 2HD ARG 5 1HD ARG 5 -1.958 6.402 -8.355
47 HE ARG 5 HE ARG 5 -4.180 4.799 -7.761
48 1HH1 ARG 5 1HH1 ARG 5 -3.249 7.351 -9.968
49 2HH1 ARG 5 2HH1 ARG 5 -4.328 6.842 -11.223
50 1HH2 ARG 5 1HH2 ARG 5 -5.613 4.116 -9.420
51 2HH2 ARG 5 2HH2 ARG 5 -5.677 4.996 -10.910
52 H ILE 6 H ILE 6 -1.039 4.425 -4.321
53 HA ILE 6 HA ILE 6 -2.040 1.791 -4.744
54 HB ILE 6 HB ILE 6 0.808 2.637 -4.205
55 1HG1 ILE 6 2HG1 ILE 6 -0.611 2.253 -6.852
56 2HG1 ILE 6 1HG1 ILE 6 -0.200 3.811 -6.145
57 1HG2 ILE 6 1HG2 ILE 6 1.469 0.560 -5.195
58 2HG2 ILE 6 2HG2 ILE 6 -0.196 0.177 -5.628
59 3HG2 ILE 6 3HG2 ILE 6 0.287 0.208 -3.934
60 1HD1 ILE 6 1HD1 ILE 6 2.138 3.365 -6.372
61 2HD1 ILE 6 2HD1 ILE 6 1.353 3.053 -7.921
62 3HD1 ILE 6 3HD1 ILE 6 1.818 1.706 -6.881
63 H CYS 7 H CYS 7 -0.405 3.399 -2.085
64 HA CYS 7 HA CYS 7 -0.155 1.166 -0.407
65 1HB CYS 7 2HB CYS 7 -0.397 4.109 0.210
66 2HB CYS 7 1HB CYS 7 -0.058 2.889 1.427
67 H ASN 8 H ASN 8 -2.819 3.257 -1.144
68 HA ASN 8 HA ASN 8 -4.430 2.637 1.105
69 1HB ASN 8 2HB ASN 8 -5.074 3.702 -1.631
70 2HB ASN 8 1HB ASN 8 -6.354 3.309 -0.486
71 1HD2 ASN 8 1HD2 ASN 8 -4.753 5.798 -1.657
72 2HD2 ASN 8 2HD2 ASN 8 -4.690 6.843 -0.286
73 H LEU 9 H LEU 9 -4.315 1.232 -2.164
74 HA LEU 9 HA LEU 9 -6.283 -0.734 -1.558
75 1HB LEU 9 2HB LEU 9 -5.628 -1.790 -3.677
76 2HB LEU 9 1HB LEU 9 -5.955 -0.081 -3.856
77 HG LEU 9 HG LEU 9 -3.304 0.059 -3.569
78 1HD1 LEU 9 1HD1 LEU 9 -2.221 -1.782 -4.752
79 2HD1 LEU 9 2HD1 LEU 9 -3.758 -2.642 -4.829
80 3HD1 LEU 9 3HD1 LEU 9 -2.996 -2.339 -3.267
81 1HD2 LEU 9 1HD2 LEU 9 -3.266 -0.244 -6.153
82 2HD2 LEU 9 2HD2 LEU 9 -4.204 1.067 -5.435
83 3HD2 LEU 9 3HD2 LEU 9 -5.014 -0.405 -5.971
84 H ALA 10 H ALA 10 -2.842 -0.502 -1.271
85 HA ALA 10 HA ALA 10 -2.202 -3.210 -0.908
86 1HB ALA 10 1HB ALA 10 -0.458 -1.771 0.725
87 2HB ALA 10 2HB ALA 10 -0.879 -0.668 -0.584
88 3HB ALA 10 3HB ALA 10 -0.196 -2.252 -0.951
89 H CYS 11 H CYS 11 -3.044 -0.680 1.478
90 HA CYS 11 HA CYS 11 -2.851 -2.367 3.743
91 1HB CYS 11 2HB CYS 11 -4.749 -0.025 3.474
92 2HB CYS 11 1HB CYS 11 -4.090 -0.692 4.953
93 H ARG 12 H ARG 12 -5.529 -1.542 1.597
94 HA ARG 12 HA ARG 12 -7.601 -2.772 2.993
95 1HB ARG 12 2HB ARG 12 -7.983 -1.221 1.156
96 2HB ARG 12 1HB ARG 12 -7.293 -2.368 0.019
97 1HG ARG 12 2HG ARG 12 -9.700 -2.382 -0.144
98 2HG ARG 12 1HG ARG 12 -9.134 -3.926 0.492
99 1HD ARG 12 2HD ARG 12 -10.047 -1.702 2.295
100 2HD ARG 12 1HD ARG 12 -11.180 -2.857 1.600
101 HE ARG 12 HE ARG 12 -9.141 -4.327 2.797
102 1HH1 ARG 12 1HH1 ARG 12 -11.661 -2.101 3.778
103 2HH1 ARG 12 2HH1 ARG 12 -11.839 -2.794 5.355
104 1HH2 ARG 12 1HH2 ARG 12 -9.366 -5.245 4.868
105 2HH2 ARG 12 2HH2 ARG 12 -10.527 -4.594 5.979
106 H ALA 13 H ALA 13 -5.545 -4.129 0.427
107 HA ALA 13 HA ALA 13 -6.816 -6.717 0.768
108 1HB ALA 13 1HB ALA 13 -4.725 -7.102 -0.977
109 2HB ALA 13 2HB ALA 13 -5.206 -5.432 -1.279
110 3HB ALA 13 3HB ALA 13 -6.391 -6.730 -1.419
111 H GLY 14 H GLY 14 -4.625 -5.168 2.506
112 1HA GLY 14 2HA GLY 14 -3.107 -5.836 4.098
113 2HA GLY 14 1HA GLY 14 -3.658 -7.468 3.813
114 H ILE 15 H ILE 15 -2.409 -5.616 1.219
115 HA ILE 15 HA ILE 15 -0.193 -7.478 0.948
116 HB ILE 15 HB ILE 15 -0.751 -5.196 -0.932
117 1HG1 ILE 15 2HG1 ILE 15 -2.873 -6.443 -0.594
118 2HG1 ILE 15 1HG1 ILE 15 -2.242 -6.618 -2.227
119 1HG2 ILE 15 1HG2 ILE 15 0.928 -7.581 -0.932
120 2HG2 ILE 15 2HG2 ILE 15 1.071 -6.090 -1.865
121 3HG2 ILE 15 3HG2 ILE 15 -0.009 -7.373 -2.413
122 1HD1 ILE 15 1HD1 ILE 15 -2.938 -8.636 -0.367
123 2HD1 ILE 15 2HD1 ILE 15 -1.204 -8.742 -0.670
124 3HD1 ILE 15 3HD1 ILE 15 -2.340 -8.815 -2.016
125 H GLY 16 H GLY 16 -0.526 -5.213 2.929
126 1HA GLY 16 2HA GLY 16 1.402 -3.214 2.424
127 2HA GLY 16 1HA GLY 16 0.827 -3.698 4.013
128 H HIS 17 H HIS 17 1.713 -6.502 3.458
129 HA HIS 17 HA HIS 17 4.417 -6.147 4.414
130 1HB HIS 17 2HB HIS 17 2.686 -7.823 5.328
131 2HB HIS 17 1HB HIS 17 3.059 -8.789 3.908
132 HD1 HIS 17 1HD HIS 17 6.029 -8.826 3.763
133 HD2 HIS 17 2HD HIS 17 4.007 -8.913 7.397
134 HE1 HIS 17 1HE HIS 17 7.628 -9.868 5.402
135 H LYS 18 H LYS 18 2.845 -6.939 1.458
136 HA LYS 18 HA LYS 18 5.239 -8.146 0.333
137 1HB LYS 18 2HB LYS 18 3.095 -9.143 -0.231
138 2HB LYS 18 1HB LYS 18 2.524 -7.613 -0.881
139 1HG LYS 18 2HG LYS 18 3.159 -9.162 -2.651
140 2HG LYS 18 1HG LYS 18 4.181 -7.725 -2.657
141 1HD LYS 18 2HD LYS 18 5.898 -9.006 -1.398
142 2HD LYS 18 1HD LYS 18 4.886 -10.444 -1.556
143 1HE LYS 18 2HE LYS 18 5.054 -10.336 -3.969
144 2HE LYS 18 1HE LYS 18 5.972 -8.834 -3.863
145 1HZ LYS 18 1HZ LYS 18 7.269 -10.727 -2.283
146 2HZ LYS 18 2HZ LYS 18 7.809 -10.035 -3.728
147 3HZ LYS 18 3HZ LYS 18 6.923 -11.474 -3.761
148 H TYR 19 H TYR 19 3.506 -5.118 0.248
149 HA TYR 19 HA TYR 19 5.123 -4.119 -1.959
150 1HB TYR 19 2HB TYR 19 2.822 -3.003 -0.378
151 2HB TYR 19 1HB TYR 19 3.781 -1.971 -1.433
152 HD1 TYR 19 1HD TYR 19 1.454 -1.610 -2.466
153 HD2 TYR 19 2HD TYR 19 3.553 -5.303 -2.688
154 HE1 TYR 19 1HE TYR 19 0.078 -2.269 -4.391
155 HE2 TYR 19 2HE TYR 19 2.180 -5.974 -4.612
156 HH TYR 19 HH TYR 19 0.711 -4.268 -6.508
157 HA PRO 20 HA PRO 20 8.194 -2.796 1.085
158 1HB PRO 20 2HB PRO 20 9.486 -1.750 -1.362
159 2HB PRO 20 1HB PRO 20 10.128 -2.840 -0.131
160 1HG PRO 20 2HG PRO 20 9.465 -3.735 -2.562
161 2HG PRO 20 1HG PRO 20 9.188 -4.715 -1.109
162 1HD PRO 20 2HD PRO 20 7.236 -3.108 -2.712
163 2HD PRO 20 1HD PRO 20 7.036 -4.707 -1.964
164 H PHE 21 H PHE 21 7.085 -0.858 -1.656
165 HA PHE 21 HA PHE 21 7.712 1.636 -0.384
166 1HB PHE 21 2HB PHE 21 6.416 2.574 -2.387
167 2HB PHE 21 1HB PHE 21 7.900 1.694 -2.724
168 HD1 PHE 21 1HD PHE 21 7.874 0.144 -4.405
169 HD2 PHE 21 2HD PHE 21 4.227 1.061 -2.416
170 HE1 PHE 21 1HE PHE 21 6.659 -1.319 -5.965
171 HE2 PHE 21 2HE PHE 21 3.007 -0.403 -3.968
172 HZ PHE 21 HZ PHE 21 4.223 -1.595 -5.746
173 H CYS 22 H CYS 22 5.317 -0.548 0.160
174 HA CYS 22 HA CYS 22 3.640 1.495 1.402
175 1HB CYS 22 2HB CYS 22 2.623 -0.600 -0.528
176 2HB CYS 22 1HB CYS 22 1.580 0.219 0.627
177 H HIS 23 H HIS 23 5.282 0.243 2.883
178 HA HIS 23 HA HIS 23 4.531 -2.346 3.786
179 1HB HIS 23 2HB HIS 23 6.834 -1.265 3.963
180 2HB HIS 23 1HB HIS 23 6.193 -0.353 5.327
181 HD1 HIS 23 1HD HIS 23 5.038 -2.085 7.227
182 HD2 HIS 23 2HD HIS 23 8.038 -3.543 4.747
183 HE1 HIS 23 1HE HIS 23 5.940 -4.125 8.390
184 H CYS 24 H CYS 24 2.261 -1.278 3.797
185 HA CYS 24 HA CYS 24 1.421 0.143 6.116
186 1HB CYS 24 2HB CYS 24 0.319 0.004 3.804
187 2HB CYS 24 1HB CYS 24 -0.321 -1.545 4.337
188 H ARG 25 H ARG 25 -0.679 -0.973 7.156
189 HA ARG 25 HA ARG 25 -0.247 -3.726 7.914
190 1HB ARG 25 2HB ARG 25 -0.169 -3.161 10.368
191 2HB ARG 25 1HB ARG 25 1.287 -2.752 9.470
192 1HG ARG 25 2HG ARG 25 0.703 -0.435 9.444
193 2HG ARG 25 1HG ARG 25 -0.885 -0.777 10.130
194 1HD ARG 25 2HD ARG 25 1.744 -1.295 11.512
195 2HD ARG 25 1HD ARG 25 0.726 0.118 11.782
196 HE ARG 25 HE ARG 25 0.414 -2.435 12.950
197 1HH1 ARG 25 1HH1 ARG 25 -1.485 0.203 11.636
198 2HH1 ARG 25 2HH1 ARG 25 -2.886 -0.158 12.588
199 1HH2 ARG 25 1HH2 ARG 25 -1.436 -2.910 14.215
200 2HH2 ARG 25 2HH2 ARG 25 -2.856 -1.930 14.059
201 1HN NH2 26 1H ARG 25 -3.629 -3.826 8.607
202 2HN NH2 26 2H ARG 25 -2.128 -4.666 8.468
Start of MODEL 6
1 1H PHE 1 1HT PHE 1 8.509 12.117 2.031
2 2H PHE 1 2HT PHE 1 9.487 13.132 1.097
3 3H PHE 1 3HT PHE 1 10.168 11.810 1.902
4 HA PHE 1 HA PHE 1 9.429 11.802 -0.676
5 1HB PHE 1 2HB PHE 1 10.903 10.204 0.449
6 2HB PHE 1 1HB PHE 1 9.537 9.523 1.323
7 HD1 PHE 1 1HD PHE 1 8.700 7.543 0.557
8 HD2 PHE 1 2HD PHE 1 10.552 10.187 -2.216
9 HE1 PHE 1 1HE PHE 1 8.384 5.883 -1.230
10 HE2 PHE 1 2HE PHE 1 10.236 8.533 -4.009
11 HZ PHE 1 HZ PHE 1 9.149 6.377 -3.517
12 HA PRO 2 HA PRO 2 4.958 11.649 -0.620
13 1HB PRO 2 2HB PRO 2 4.643 11.103 -3.285
14 2HB PRO 2 1HB PRO 2 4.951 12.719 -2.643
15 1HG PRO 2 2HG PRO 2 6.859 10.771 -3.868
16 2HG PRO 2 1HG PRO 2 6.754 12.527 -4.088
17 1HD PRO 2 2HD PRO 2 8.595 11.391 -2.478
18 2HD PRO 2 1HD PRO 2 7.866 12.968 -2.114
19 H ARG 3 H ARG 3 3.599 10.011 -0.194
20 HA ARG 3 HA ARG 3 4.530 7.301 -0.628
21 1HB ARG 3 2HB ARG 3 2.117 8.339 0.869
22 2HB ARG 3 1HB ARG 3 2.631 6.658 0.813
23 1HG ARG 3 2HG ARG 3 4.143 8.964 2.024
24 2HG ARG 3 1HG ARG 3 3.333 7.656 2.887
25 1HD ARG 3 2HD ARG 3 5.721 7.407 1.060
26 2HD ARG 3 1HD ARG 3 5.721 7.249 2.815
27 HE ARG 3 HE ARG 3 5.116 5.224 0.930
28 1HH1 ARG 3 1HH1 ARG 3 4.178 6.388 4.098
29 2HH1 ARG 3 2HH1 ARG 3 3.568 4.855 4.622
30 1HH2 ARG 3 1HH2 ARG 3 4.321 3.209 1.603
31 2HH2 ARG 3 2HH2 ARG 3 3.646 3.039 3.196
32 HA PRO 4 HA PRO 4 2.204 6.751 -4.343
33 1HB PRO 4 2HB PRO 4 2.232 3.897 -3.556
34 2HB PRO 4 1HB PRO 4 2.833 4.665 -5.028
35 1HG PRO 4 2HG PRO 4 4.506 3.751 -3.148
36 2HG PRO 4 1HG PRO 4 4.859 5.225 -4.070
37 1HD PRO 4 2HD PRO 4 3.859 4.937 -1.270
38 2HD PRO 4 1HD PRO 4 5.000 6.113 -1.949
39 H ARG 5 H ARG 5 0.091 6.691 -4.827
40 HA ARG 5 HA ARG 5 -1.884 6.548 -2.836
41 1HB ARG 5 2HB ARG 5 -3.510 6.595 -4.699
42 2HB ARG 5 1HB ARG 5 -2.259 7.818 -4.866
43 1HG ARG 5 2HG ARG 5 -1.128 6.496 -6.536
44 2HG ARG 5 1HG ARG 5 -2.274 5.174 -6.308
45 1HD ARG 5 2HD ARG 5 -4.095 6.634 -7.067
46 2HD ARG 5 1HD ARG 5 -2.938 7.943 -7.311
47 HE ARG 5 HE ARG 5 -3.431 5.715 -9.046
48 1HH1 ARG 5 1HH1 ARG 5 -1.067 8.123 -8.104
49 2HH1 ARG 5 2HH1 ARG 5 -0.142 7.973 -9.560
50 1HH2 ARG 5 1HH2 ARG 5 -2.210 5.513 -10.973
51 2HH2 ARG 5 2HH2 ARG 5 -0.794 6.486 -11.195
52 H ILE 6 H ILE 6 -0.328 4.121 -4.644
53 HA ILE 6 HA ILE 6 -2.229 2.075 -4.758
54 HB ILE 6 HB ILE 6 0.726 1.728 -4.312
55 1HG1 ILE 6 2HG1 ILE 6 0.330 3.292 -6.174
56 2HG1 ILE 6 1HG1 ILE 6 0.993 1.767 -6.750
57 1HG2 ILE 6 1HG2 ILE 6 -0.754 -0.094 -6.088
58 2HG2 ILE 6 2HG2 ILE 6 -1.167 -0.190 -4.375
59 3HG2 ILE 6 3HG2 ILE 6 0.500 -0.438 -4.895
60 1HD1 ILE 6 1HD1 ILE 6 -0.922 2.858 -8.059
61 2HD1 ILE 6 2HD1 ILE 6 -1.957 2.259 -6.762
62 3HD1 ILE 6 3HD1 ILE 6 -1.009 1.128 -7.729
63 H CYS 7 H CYS 7 -0.224 3.248 -2.158
64 HA CYS 7 HA CYS 7 -0.207 1.137 -0.376
65 1HB CYS 7 2HB CYS 7 -0.436 4.104 0.142
66 2HB CYS 7 1HB CYS 7 -0.155 2.918 1.407
67 H ASN 8 H ASN 8 -2.788 3.279 -1.237
68 HA ASN 8 HA ASN 8 -4.556 2.869 0.906
69 1HB ASN 8 2HB ASN 8 -4.718 3.915 -1.807
70 2HB ASN 8 1HB ASN 8 -6.180 3.050 -1.349
71 1HD2 ASN 8 1HD2 ASN 8 -4.666 5.969 -1.313
72 2HD2 ASN 8 2HD2 ASN 8 -5.570 6.745 -0.062
73 H LEU 9 H LEU 9 -4.272 1.167 -2.175
74 HA LEU 9 HA LEU 9 -6.236 -0.805 -1.593
75 1HB LEU 9 2HB LEU 9 -4.021 -1.344 -3.509
76 2HB LEU 9 1HB LEU 9 -5.735 -1.682 -3.667
77 HG LEU 9 HG LEU 9 -4.528 1.074 -3.849
78 1HD1 LEU 9 1HD1 LEU 9 -4.184 0.813 -6.046
79 2HD1 LEU 9 2HD1 LEU 9 -5.662 -0.123 -6.267
80 3HD1 LEU 9 3HD1 LEU 9 -4.195 -0.914 -5.690
81 1HD2 LEU 9 1HD2 LEU 9 -6.874 1.031 -3.146
82 2HD2 LEU 9 2HD2 LEU 9 -7.279 0.047 -4.553
83 3HD2 LEU 9 3HD2 LEU 9 -6.701 1.699 -4.770
84 H ALA 10 H ALA 10 -2.780 -0.568 -1.339
85 HA ALA 10 HA ALA 10 -2.083 -3.186 -0.791
86 1HB ALA 10 1HB ALA 10 -0.879 -0.576 0.030
87 2HB ALA 10 2HB ALA 10 -0.298 -1.755 -1.147
88 3HB ALA 10 3HB ALA 10 -0.190 -2.104 0.579
89 H CYS 11 H CYS 11 -3.074 -0.677 1.553
90 HA CYS 11 HA CYS 11 -2.781 -2.364 3.816
91 1HB CYS 11 2HB CYS 11 -4.691 -0.029 3.579
92 2HB CYS 11 1HB CYS 11 -4.035 -0.709 5.056
93 H ARG 12 H ARG 12 -5.570 -1.528 1.807
94 HA ARG 12 HA ARG 12 -7.522 -2.886 3.281
95 1HB ARG 12 2HB ARG 12 -7.499 -2.339 0.312
96 2HB ARG 12 1HB ARG 12 -8.917 -2.684 1.296
97 1HG ARG 12 2HG ARG 12 -8.661 -0.632 2.500
98 2HG ARG 12 1HG ARG 12 -7.114 -0.313 1.717
99 1HD ARG 12 2HD ARG 12 -8.428 -0.363 -0.478
100 2HD ARG 12 1HD ARG 12 -9.871 -0.240 0.529
101 HE ARG 12 HE ARG 12 -8.030 1.763 1.268
102 1HH1 ARG 12 1HH1 ARG 12 -10.221 0.932 -1.329
103 2HH1 ARG 12 2HH1 ARG 12 -10.445 2.572 -1.841
104 1HH2 ARG 12 1HH2 ARG 12 -8.305 3.933 0.594
105 2HH2 ARG 12 2HH2 ARG 12 -9.362 4.283 -0.737
106 H ALA 13 H ALA 13 -5.550 -3.988 0.547
107 HA ALA 13 HA ALA 13 -6.765 -6.617 0.649
108 1HB ALA 13 1HB ALA 13 -4.540 -5.513 -1.054
109 2HB ALA 13 2HB ALA 13 -6.220 -5.756 -1.527
110 3HB ALA 13 3HB ALA 13 -5.188 -7.147 -1.196
111 H GLY 14 H GLY 14 -4.633 -5.138 2.531
112 1HA GLY 14 2HA GLY 14 -3.086 -5.825 4.080
113 2HA GLY 14 1HA GLY 14 -3.694 -7.440 3.812
114 H ILE 15 H ILE 15 -2.485 -5.791 1.099
115 HA ILE 15 HA ILE 15 -0.249 -7.654 1.000
116 HB ILE 15 HB ILE 15 0.103 -6.806 -1.320
117 1HG1 ILE 15 2HG1 ILE 15 -2.461 -5.292 -0.780
118 2HG1 ILE 15 1HG1 ILE 15 -0.874 -4.573 -1.031
119 1HG2 ILE 15 1HG2 ILE 15 -2.223 -7.708 -2.128
120 2HG2 ILE 15 2HG2 ILE 15 -2.423 -8.099 -0.419
121 3HG2 ILE 15 3HG2 ILE 15 -1.070 -8.774 -1.327
122 1HD1 ILE 15 1HD1 ILE 15 -1.017 -5.900 -3.301
123 2HD1 ILE 15 2HD1 ILE 15 -1.764 -4.316 -3.107
124 3HD1 ILE 15 3HD1 ILE 15 -2.747 -5.774 -2.990
125 H GLY 16 H GLY 16 -0.608 -5.151 2.643
126 1HA GLY 16 2HA GLY 16 1.322 -3.243 1.849
127 2HA GLY 16 1HA GLY 16 0.743 -3.492 3.492
128 H HIS 17 H HIS 17 1.550 -6.258 3.595
129 HA HIS 17 HA HIS 17 4.185 -5.913 4.554
130 1HB HIS 17 2HB HIS 17 2.776 -8.511 3.921
131 2HB HIS 17 1HB HIS 17 4.186 -8.319 4.953
132 HD1 HIS 17 1HD HIS 17 3.566 -6.470 7.058
133 HD2 HIS 17 2HD HIS 17 0.546 -8.782 5.382
134 HE1 HIS 17 1HE HIS 17 1.726 -6.519 8.769
135 H LYS 18 H LYS 18 2.856 -7.156 1.591
136 HA LYS 18 HA LYS 18 5.354 -8.128 0.585
137 1HB LYS 18 2HB LYS 18 3.176 -9.138 -0.018
138 2HB LYS 18 1HB LYS 18 2.752 -7.664 -0.877
139 1HG LYS 18 2HG LYS 18 4.639 -8.017 -2.400
140 2HG LYS 18 1HG LYS 18 5.040 -9.505 -1.544
141 1HD LYS 18 2HD LYS 18 3.791 -10.022 -3.556
142 2HD LYS 18 1HD LYS 18 2.822 -10.411 -2.133
143 1HE LYS 18 2HE LYS 18 1.546 -8.388 -2.387
144 2HE LYS 18 1HE LYS 18 2.589 -7.847 -3.699
145 1HZ LYS 18 1HZ LYS 18 1.833 -10.041 -4.804
146 2HZ LYS 18 2HZ LYS 18 0.792 -8.705 -4.816
147 3HZ LYS 18 3HZ LYS 18 0.544 -9.961 -3.709
148 H TYR 19 H TYR 19 3.535 -5.139 0.298
149 HA TYR 19 HA TYR 19 5.226 -4.215 -1.884
150 1HB TYR 19 2HB TYR 19 2.875 -3.028 -0.435
151 2HB TYR 19 1HB TYR 19 3.858 -2.056 -1.523
152 HD1 TYR 19 1HD TYR 19 2.203 -1.613 -3.169
153 HD2 TYR 19 2HD TYR 19 3.047 -5.628 -2.047
154 HE1 TYR 19 1HE TYR 19 0.895 -2.422 -5.089
155 HE2 TYR 19 2HE TYR 19 1.743 -6.444 -3.958
156 HH TYR 19 HH TYR 19 0.213 -4.201 -6.241
157 HA PRO 20 HA PRO 20 8.267 -2.731 1.090
158 1HB PRO 20 2HB PRO 20 9.826 -1.539 -0.864
159 2HB PRO 20 1HB PRO 20 9.962 -3.221 -0.343
160 1HG PRO 20 2HG PRO 20 8.559 -2.079 -2.719
161 2HG PRO 20 1HG PRO 20 9.502 -3.576 -2.581
162 1HD PRO 20 2HD PRO 20 6.817 -3.597 -2.617
163 2HD PRO 20 1HD PRO 20 7.744 -4.740 -1.621
164 H PHE 21 H PHE 21 7.182 -0.707 -1.636
165 HA PHE 21 HA PHE 21 7.693 1.727 -0.224
166 1HB PHE 21 2HB PHE 21 6.443 2.755 -2.195
167 2HB PHE 21 1HB PHE 21 7.924 1.884 -2.559
168 HD1 PHE 21 1HD PHE 21 4.238 1.316 -2.374
169 HD2 PHE 21 2HD PHE 21 7.922 0.371 -4.280
170 HE1 PHE 21 1HE PHE 21 3.031 -0.062 -4.014
171 HE2 PHE 21 2HE PHE 21 6.721 -1.009 -5.924
172 HZ PHE 21 HZ PHE 21 4.272 -1.227 -5.794
173 H CYS 22 H CYS 22 5.280 -0.521 0.079
174 HA CYS 22 HA CYS 22 3.562 1.431 1.426
175 1HB CYS 22 2HB CYS 22 2.630 -0.581 -0.632
176 2HB CYS 22 1HB CYS 22 1.544 0.172 0.529
177 H HIS 23 H HIS 23 5.286 0.030 2.777
178 HA HIS 23 HA HIS 23 4.520 -2.594 3.513
179 1HB HIS 23 2HB HIS 23 6.799 -1.275 3.770
180 2HB HIS 23 1HB HIS 23 6.136 -0.895 5.357
181 HD1 HIS 23 1HD HIS 23 6.316 -4.106 3.307
182 HD2 HIS 23 2HD HIS 23 7.117 -2.674 7.129
183 HE1 HIS 23 1HE HIS 23 7.171 -6.084 4.599
184 H CYS 24 H CYS 24 2.263 -1.450 3.639
185 HA CYS 24 HA CYS 24 1.511 -0.354 6.179
186 1HB CYS 24 2HB CYS 24 0.495 0.102 3.885
187 2HB CYS 24 1HB CYS 24 -0.286 -1.465 4.034
188 H ARG 25 H ARG 25 -0.599 -1.395 7.126
189 HA ARG 25 HA ARG 25 0.184 -3.924 8.217
190 1HB ARG 25 2HB ARG 25 -1.013 -2.188 9.532
191 2HB ARG 25 1HB ARG 25 -2.434 -2.439 8.528
192 1HG ARG 25 2HG ARG 25 -2.597 -4.742 9.315
193 2HG ARG 25 1HG ARG 25 -1.153 -4.508 10.305
194 1HD ARG 25 2HD ARG 25 -3.748 -2.989 10.585
195 2HD ARG 25 1HD ARG 25 -3.217 -4.312 11.622
196 HE ARG 25 HE ARG 25 -2.426 -1.581 11.783
197 1HH1 ARG 25 1HH1 ARG 25 -1.318 -4.852 12.375
198 2HH1 ARG 25 2HH1 ARG 25 -0.107 -4.374 13.519
199 1HH2 ARG 25 1HH2 ARG 25 -0.836 -0.945 13.299
200 2HH2 ARG 25 2HH2 ARG 25 0.165 -2.143 14.048
201 1HN NH2 26 1H ARG 25 -3.095 -4.379 5.804
202 2HN NH2 26 2H ARG 25 -2.254 -2.871 5.870
Start of MODEL 7
1 1H PHE 1 1HT PHE 1 0.958 12.302 6.089
2 2H PHE 1 2HT PHE 1 0.155 12.215 4.603
3 3H PHE 1 3HT PHE 1 0.863 13.669 5.096
4 HA PHE 1 HA PHE 1 2.905 13.079 4.447
5 1HB PHE 1 2HB PHE 1 3.053 11.403 6.232
6 2HB PHE 1 1HB PHE 1 2.126 10.263 5.265
7 HD1 PHE 1 1HD PHE 1 3.346 8.569 4.348
8 HD2 PHE 1 2HD PHE 1 5.171 12.386 4.797
9 HE1 PHE 1 1HE PHE 1 5.431 7.679 3.394
10 HE2 PHE 1 2HE PHE 1 7.259 11.504 3.839
11 HZ PHE 1 HZ PHE 1 7.390 9.148 3.137
12 HA PRO 2 HA PRO 2 1.429 12.097 0.335
13 1HB PRO 2 2HB PRO 2 3.635 12.875 -1.021
14 2HB PRO 2 1HB PRO 2 2.494 14.035 -0.327
15 1HG PRO 2 2HG PRO 2 5.137 13.110 0.725
16 2HG PRO 2 1HG PRO 2 4.451 14.744 0.703
17 1HD PRO 2 2HD PRO 2 4.440 13.137 2.909
18 2HD PRO 2 1HD PRO 2 3.217 14.385 2.602
19 H ARG 3 H ARG 3 1.486 10.238 -0.791
20 HA ARG 3 HA ARG 3 3.824 8.770 -1.361
21 1HB ARG 3 2HB ARG 3 3.462 6.784 -0.013
22 2HB ARG 3 1HB ARG 3 3.648 8.182 1.032
23 1HG ARG 3 2HG ARG 3 1.180 8.268 1.267
24 2HG ARG 3 1HG ARG 3 1.083 6.773 0.331
25 1HD ARG 3 2HD ARG 3 2.428 7.188 2.996
26 2HD ARG 3 1HD ARG 3 1.010 6.196 2.653
27 HE ARG 3 HE ARG 3 3.042 5.204 1.067
28 1HH1 ARG 3 1HH1 ARG 3 2.432 5.590 4.488
29 2HH1 ARG 3 2HH1 ARG 3 3.421 4.249 4.952
30 1HH2 ARG 3 1HH2 ARG 3 4.355 3.427 1.657
31 2HH2 ARG 3 2HH2 ARG 3 4.521 3.015 3.334
32 HA PRO 4 HA PRO 4 1.487 7.054 -4.636
33 1HB PRO 4 2HB PRO 4 1.828 4.293 -4.150
34 2HB PRO 4 1HB PRO 4 2.821 5.321 -5.184
35 1HG PRO 4 2HG PRO 4 3.279 4.446 -2.379
36 2HG PRO 4 1HG PRO 4 4.455 4.756 -3.670
37 1HD PRO 4 2HD PRO 4 4.124 6.488 -1.665
38 2HD PRO 4 1HD PRO 4 4.412 7.056 -3.324
39 H ARG 5 H ARG 5 -0.567 6.678 -5.007
40 HA ARG 5 HA ARG 5 -2.502 6.393 -3.019
41 1HB ARG 5 2HB ARG 5 -2.743 7.286 -5.401
42 2HB ARG 5 1HB ARG 5 -2.864 5.612 -5.912
43 1HG ARG 5 2HG ARG 5 -5.070 6.169 -5.751
44 2HG ARG 5 1HG ARG 5 -4.788 5.529 -4.132
45 1HD ARG 5 2HD ARG 5 -4.413 8.445 -4.692
46 2HD ARG 5 1HD ARG 5 -6.029 7.796 -4.430
47 HE ARG 5 HE ARG 5 -4.638 6.864 -2.302
48 1HH1 ARG 5 1HH1 ARG 5 -5.034 10.061 -3.676
49 2HH1 ARG 5 2HH1 ARG 5 -4.973 10.867 -2.146
50 1HH2 ARG 5 1HH2 ARG 5 -4.584 7.910 -0.287
51 2HH2 ARG 5 2HH2 ARG 5 -4.712 9.638 -0.206
52 H ILE 6 H ILE 6 -0.714 4.055 -4.818
53 HA ILE 6 HA ILE 6 -2.257 1.771 -4.683
54 HB ILE 6 HB ILE 6 0.730 1.868 -4.324
55 1HG1 ILE 6 2HG1 ILE 6 -0.845 1.840 -6.910
56 2HG1 ILE 6 1HG1 ILE 6 -0.028 3.253 -6.249
57 1HG2 ILE 6 1HG2 ILE 6 -0.808 -0.303 -4.154
58 2HG2 ILE 6 2HG2 ILE 6 0.805 -0.338 -4.867
59 3HG2 ILE 6 3HG2 ILE 6 -0.616 -0.244 -5.906
60 1HD1 ILE 6 1HD1 ILE 6 1.919 2.625 -7.105
61 2HD1 ILE 6 2HD1 ILE 6 1.018 1.416 -8.023
62 3HD1 ILE 6 3HD1 ILE 6 1.754 0.985 -6.478
63 H CYS 7 H CYS 7 -0.228 3.211 -2.204
64 HA CYS 7 HA CYS 7 -0.070 1.119 -0.388
65 1HB CYS 7 2HB CYS 7 -0.308 4.090 0.096
66 2HB CYS 7 1HB CYS 7 0.088 2.925 1.347
67 H ASN 8 H ASN 8 -2.727 3.204 -1.150
68 HA ASN 8 HA ASN 8 -4.294 2.672 1.157
69 1HB ASN 8 2HB ASN 8 -5.017 3.661 -1.596
70 2HB ASN 8 1HB ASN 8 -6.206 3.474 -0.310
71 1HD2 ASN 8 1HD2 ASN 8 -3.795 4.189 1.528
72 2HD2 ASN 8 2HD2 ASN 8 -3.802 5.915 1.495
73 H LEU 9 H LEU 9 -4.275 1.226 -2.096
74 HA LEU 9 HA LEU 9 -6.291 -0.677 -1.408
75 1HB LEU 9 2HB LEU 9 -5.790 -1.746 -3.547
76 2HB LEU 9 1HB LEU 9 -6.023 -0.020 -3.728
77 HG LEU 9 HG LEU 9 -3.363 -0.025 -3.558
78 1HD1 LEU 9 1HD1 LEU 9 -2.338 -1.915 -4.536
79 2HD1 LEU 9 2HD1 LEU 9 -3.893 -2.649 -4.929
80 3HD1 LEU 9 3HD1 LEU 9 -3.373 -2.532 -3.247
81 1HD2 LEU 9 1HD2 LEU 9 -4.889 0.788 -5.396
82 2HD2 LEU 9 2HD2 LEU 9 -4.733 -0.815 -6.114
83 3HD2 LEU 9 3HD2 LEU 9 -3.307 0.202 -5.907
84 H ALA 10 H ALA 10 -2.848 -0.500 -1.234
85 HA ALA 10 HA ALA 10 -2.214 -3.213 -0.905
86 1HB ALA 10 1HB ALA 10 -0.236 -2.261 0.432
87 2HB ALA 10 2HB ALA 10 -0.887 -0.680 0.004
88 3HB ALA 10 3HB ALA 10 -0.389 -1.800 -1.263
89 H CYS 11 H CYS 11 -3.044 -0.698 1.480
90 HA CYS 11 HA CYS 11 -2.834 -2.377 3.754
91 1HB CYS 11 2HB CYS 11 -4.694 -0.006 3.438
92 2HB CYS 11 1HB CYS 11 -4.145 -0.706 4.948
93 H ARG 12 H ARG 12 -5.519 -1.577 1.604
94 HA ARG 12 HA ARG 12 -7.580 -2.825 3.007
95 1HB ARG 12 2HB ARG 12 -7.935 -1.262 1.143
96 2HB ARG 12 1HB ARG 12 -7.315 -2.465 0.021
97 1HG ARG 12 2HG ARG 12 -9.742 -2.390 -0.030
98 2HG ARG 12 1HG ARG 12 -9.172 -3.949 0.570
99 1HD ARG 12 2HD ARG 12 -11.040 -3.178 1.907
100 2HD ARG 12 1HD ARG 12 -9.566 -3.188 2.874
101 HE ARG 12 HE ARG 12 -9.958 -0.635 1.728
102 1HH1 ARG 12 1HH1 ARG 12 -11.203 -2.725 4.236
103 2HH1 ARG 12 2HH1 ARG 12 -11.787 -1.424 5.220
104 1HH2 ARG 12 1HH2 ARG 12 -10.729 1.100 3.018
105 2HH2 ARG 12 2HH2 ARG 12 -11.517 0.761 4.522
106 H ALA 13 H ALA 13 -5.542 -4.135 0.405
107 HA ALA 13 HA ALA 13 -6.767 -6.745 0.695
108 1HB ALA 13 1HB ALA 13 -5.525 -5.428 -1.395
109 2HB ALA 13 2HB ALA 13 -6.031 -7.118 -1.373
110 3HB ALA 13 3HB ALA 13 -4.376 -6.686 -0.940
111 H GLY 14 H GLY 14 -4.668 -5.175 2.521
112 1HA GLY 14 2HA GLY 14 -3.149 -5.788 4.130
113 2HA GLY 14 1HA GLY 14 -3.728 -7.422 3.905
114 H ILE 15 H ILE 15 -2.501 -5.845 1.163
115 HA ILE 15 HA ILE 15 -0.237 -7.671 1.137
116 HB ILE 15 HB ILE 15 0.133 -6.809 -1.193
117 1HG1 ILE 15 2HG1 ILE 15 -2.508 -5.422 -0.672
118 2HG1 ILE 15 1HG1 ILE 15 -0.959 -4.629 -0.934
119 1HG2 ILE 15 1HG2 ILE 15 -0.995 -8.877 -0.927
120 2HG2 ILE 15 2HG2 ILE 15 -1.909 -7.951 -2.118
121 3HG2 ILE 15 3HG2 ILE 15 -2.495 -8.077 -0.459
122 1HD1 ILE 15 1HD1 ILE 15 -2.732 -6.014 -2.883
123 2HD1 ILE 15 2HD1 ILE 15 -1.000 -5.910 -3.196
124 3HD1 ILE 15 3HD1 ILE 15 -1.949 -4.439 -2.992
125 H GLY 16 H GLY 16 -0.602 -5.198 2.786
126 1HA GLY 16 2HA GLY 16 1.239 -3.218 1.991
127 2HA GLY 16 1HA GLY 16 0.751 -3.546 3.650
128 H HIS 17 H HIS 17 1.650 -6.183 3.849
129 HA HIS 17 HA HIS 17 4.395 -5.715 4.410
130 1HB HIS 17 2HB HIS 17 4.453 -8.091 5.136
131 2HB HIS 17 1HB HIS 17 3.158 -7.169 5.881
132 HD1 HIS 17 1HD HIS 17 2.536 -9.901 6.217
133 HD2 HIS 17 2HD HIS 17 1.815 -8.130 2.526
134 HE1 HIS 17 1HE HIS 17 0.855 -11.380 5.077
135 H LYS 18 H LYS 18 2.821 -6.630 1.592
136 HA LYS 18 HA LYS 18 5.094 -8.107 0.535
137 1HB LYS 18 2HB LYS 18 2.920 -9.003 -0.008
138 2HB LYS 18 1HB LYS 18 2.389 -7.453 -0.642
139 1HG LYS 18 2HG LYS 18 2.920 -9.102 -2.398
140 2HG LYS 18 1HG LYS 18 3.894 -7.636 -2.507
141 1HD LYS 18 2HD LYS 18 5.281 -9.583 -2.899
142 2HD LYS 18 1HD LYS 18 5.746 -8.813 -1.382
143 1HE LYS 18 2HE LYS 18 4.430 -10.481 -0.151
144 2HE LYS 18 1HE LYS 18 4.002 -11.257 -1.676
145 1HZ LYS 18 1HZ LYS 18 6.437 -11.562 -2.046
146 2HZ LYS 18 2HZ LYS 18 5.810 -12.449 -0.751
147 3HZ LYS 18 3HZ LYS 18 6.698 -11.041 -0.458
148 H TYR 19 H TYR 19 3.464 -5.014 0.184
149 HA TYR 19 HA TYR 19 5.252 -4.213 -1.975
150 1HB TYR 19 2HB TYR 19 2.918 -2.874 -0.616
151 2HB TYR 19 1HB TYR 19 3.944 -2.019 -1.761
152 HD1 TYR 19 1HD TYR 19 2.502 -1.627 -3.556
153 HD2 TYR 19 2HD TYR 19 2.769 -5.554 -1.942
154 HE1 TYR 19 1HE TYR 19 1.149 -2.480 -5.422
155 HE2 TYR 19 2HE TYR 19 1.418 -6.417 -3.805
156 HH TYR 19 HH TYR 19 1.000 -5.094 -6.543
157 HA PRO 20 HA PRO 20 8.256 -2.774 1.052
158 1HB PRO 20 2HB PRO 20 9.830 -1.543 -0.877
159 2HB PRO 20 1HB PRO 20 9.976 -3.225 -0.357
160 1HG PRO 20 2HG PRO 20 8.593 -2.089 -2.747
161 2HG PRO 20 1HG PRO 20 9.537 -3.583 -2.599
162 1HD PRO 20 2HD PRO 20 6.858 -3.622 -2.670
163 2HD PRO 20 1HD PRO 20 7.773 -4.750 -1.645
164 H PHE 21 H PHE 21 7.230 -0.673 -1.638
165 HA PHE 21 HA PHE 21 7.741 1.722 -0.161
166 1HB PHE 21 2HB PHE 21 6.512 2.797 -2.132
167 2HB PHE 21 1HB PHE 21 8.012 1.951 -2.479
168 HD1 PHE 21 1HD PHE 21 8.068 0.450 -4.215
169 HD2 PHE 21 2HD PHE 21 4.327 1.369 -2.414
170 HE1 PHE 21 1HE PHE 21 6.918 -0.888 -5.930
171 HE2 PHE 21 2HE PHE 21 3.170 0.030 -4.121
172 HZ PHE 21 HZ PHE 21 4.466 -1.102 -5.882
173 H CYS 22 H CYS 22 5.286 -0.507 0.017
174 HA CYS 22 HA CYS 22 3.565 1.442 1.374
175 1HB CYS 22 2HB CYS 22 2.634 -0.616 -0.645
176 2HB CYS 22 1HB CYS 22 1.556 0.223 0.464
177 H HIS 23 H HIS 23 5.293 0.046 2.736
178 HA HIS 23 HA HIS 23 4.547 -2.570 3.500
179 1HB HIS 23 2HB HIS 23 6.831 -1.425 3.756
180 2HB HIS 23 1HB HIS 23 6.167 -0.691 5.211
181 HD1 HIS 23 1HD HIS 23 8.398 -2.267 5.992
182 HD2 HIS 23 2HD HIS 23 4.774 -4.140 5.202
183 HE1 HIS 23 1HE HIS 23 8.527 -4.496 7.145
184 H CYS 24 H CYS 24 2.264 -1.503 3.595
185 HA CYS 24 HA CYS 24 1.474 -0.401 6.132
186 1HB CYS 24 2HB CYS 24 0.431 0.022 3.838
187 2HB CYS 24 1HB CYS 24 -0.299 -1.570 3.996
188 H ARG 25 H ARG 25 -0.667 -1.571 6.983
189 HA ARG 25 HA ARG 25 0.259 -4.023 8.134
190 1HB ARG 25 2HB ARG 25 -1.165 -2.353 9.336
191 2HB ARG 25 1HB ARG 25 -2.507 -2.815 8.299
192 1HG ARG 25 2HG ARG 25 -2.631 -3.906 10.476
193 2HG ARG 25 1HG ARG 25 -2.433 -5.081 9.175
194 1HD ARG 25 2HD ARG 25 -1.020 -5.626 11.097
195 2HD ARG 25 1HD ARG 25 -0.056 -5.254 9.671
196 HE ARG 25 HE ARG 25 -0.390 -2.914 11.195
197 1HH1 ARG 25 1HH1 ARG 25 1.266 -5.989 11.319
198 2HH1 ARG 25 2HH1 ARG 25 2.565 -5.403 12.302
199 1HH2 ARG 25 1HH2 ARG 25 1.325 -2.123 12.495
200 2HH2 ARG 25 2HH2 ARG 25 2.599 -3.194 12.973
201 1HN NH2 26 1H ARG 25 -2.970 -4.790 5.768
202 2HN NH2 26 2H ARG 25 -2.208 -3.246 5.656
Start of MODEL 8
1 1H PHE 1 1HT PHE 1 7.637 16.063 -5.149
2 2H PHE 1 2HT PHE 1 8.391 14.659 -5.716
3 3H PHE 1 3HT PHE 1 7.481 14.612 -4.291
4 HA PHE 1 HA PHE 1 5.885 15.613 -6.369
5 1HB PHE 1 2HB PHE 1 5.849 13.535 -7.760
6 2HB PHE 1 1HB PHE 1 7.353 14.434 -7.890
7 HD1 PHE 1 1HD PHE 1 5.811 11.510 -6.180
8 HD2 PHE 1 2HD PHE 1 9.388 13.383 -7.526
9 HE1 PHE 1 1HE PHE 1 7.078 9.475 -5.631
10 HE2 PHE 1 2HE PHE 1 10.662 11.351 -6.978
11 HZ PHE 1 HZ PHE 1 9.507 9.394 -6.029
12 HA PRO 2 HA PRO 2 3.029 13.676 -3.627
13 1HB PRO 2 2HB PRO 2 1.212 13.103 -5.854
14 2HB PRO 2 1HB PRO 2 1.004 14.218 -4.504
15 1HG PRO 2 2HG PRO 2 1.409 15.073 -7.026
16 2HG PRO 2 1HG PRO 2 2.008 15.961 -5.613
17 1HD PRO 2 2HD PRO 2 3.489 14.161 -7.490
18 2HD PRO 2 1HD PRO 2 4.000 15.699 -6.762
19 H ARG 3 H ARG 3 2.707 11.677 -2.826
20 HA ARG 3 HA ARG 3 3.668 9.427 -4.345
21 1HB ARG 3 2HB ARG 3 2.810 9.844 -1.503
22 2HB ARG 3 1HB ARG 3 2.946 8.213 -2.142
23 1HG ARG 3 2HG ARG 3 5.283 8.551 -2.628
24 2HG ARG 3 1HG ARG 3 5.171 10.240 -2.125
25 1HD ARG 3 2HD ARG 3 6.154 8.763 -0.393
26 2HD ARG 3 1HD ARG 3 4.693 9.592 0.140
27 HE ARG 3 HE ARG 3 3.665 7.567 0.378
28 1HH1 ARG 3 1HH1 ARG 3 6.570 7.092 -1.522
29 2HH1 ARG 3 2HH1 ARG 3 6.416 5.368 -1.557
30 1HH2 ARG 3 1HH2 ARG 3 3.460 5.288 0.322
31 2HH2 ARG 3 2HH2 ARG 3 4.654 4.335 -0.499
32 HA PRO 4 HA PRO 4 -0.297 8.235 -5.939
33 1HB PRO 4 2HB PRO 4 0.889 5.523 -5.978
34 2HB PRO 4 1HB PRO 4 0.216 6.473 -7.305
35 1HG PRO 4 2HG PRO 4 2.858 6.084 -7.052
36 2HG PRO 4 1HG PRO 4 2.189 7.604 -7.680
37 1HD PRO 4 2HD PRO 4 3.319 6.999 -4.982
38 2HD PRO 4 1HD PRO 4 3.436 8.480 -5.950
39 H ARG 5 H ARG 5 -2.135 7.422 -5.025
40 HA ARG 5 HA ARG 5 -1.995 6.533 -2.305
41 1HB ARG 5 2HB ARG 5 -3.775 8.060 -3.282
42 2HB ARG 5 1HB ARG 5 -4.467 6.629 -4.032
43 1HG ARG 5 2HG ARG 5 -4.757 5.619 -1.819
44 2HG ARG 5 1HG ARG 5 -4.091 7.074 -1.078
45 1HD ARG 5 2HD ARG 5 -5.930 8.392 -1.872
46 2HD ARG 5 1HD ARG 5 -6.546 7.040 -2.824
47 HE ARG 5 HE ARG 5 -6.402 6.222 -0.157
48 1HH1 ARG 5 1HH1 ARG 5 -8.188 8.524 -2.093
49 2HH1 ARG 5 2HH1 ARG 5 -9.609 8.445 -1.108
50 1HH2 ARG 5 1HH2 ARG 5 -8.265 6.088 1.133
51 2HH2 ARG 5 2HH2 ARG 5 -9.654 7.054 0.742
52 H ILE 6 H ILE 6 -0.696 4.744 -3.977
53 HA ILE 6 HA ILE 6 -2.324 2.473 -4.589
54 HB ILE 6 HB ILE 6 -0.034 1.297 -4.581
55 1HG1 ILE 6 2HG1 ILE 6 0.847 4.191 -4.557
56 2HG1 ILE 6 1HG1 ILE 6 1.172 3.003 -3.300
57 1HG2 ILE 6 1HG2 ILE 6 -0.248 1.521 -6.784
58 2HG2 ILE 6 2HG2 ILE 6 0.233 3.216 -6.707
59 3HG2 ILE 6 3HG2 ILE 6 -1.459 2.768 -6.484
60 1HD1 ILE 6 1HD1 ILE 6 2.910 3.630 -5.230
61 2HD1 ILE 6 2HD1 ILE 6 2.069 2.295 -6.015
62 3HD1 ILE 6 3HD1 ILE 6 2.851 2.049 -4.453
63 H CYS 7 H CYS 7 -0.374 3.504 -1.888
64 HA CYS 7 HA CYS 7 -0.214 1.157 -0.404
65 1HB CYS 7 2HB CYS 7 -0.489 4.021 0.522
66 2HB CYS 7 1HB CYS 7 -0.092 2.681 1.580
67 H ASN 8 H ASN 8 -2.831 3.299 -0.985
68 HA ASN 8 HA ASN 8 -4.583 2.715 1.128
69 1HB ASN 8 2HB ASN 8 -4.864 4.466 -0.703
70 2HB ASN 8 1HB ASN 8 -5.424 3.164 -1.739
71 1HD2 ASN 8 1HD2 ASN 8 -7.501 2.605 -1.664
72 2HD2 ASN 8 2HD2 ASN 8 -8.643 3.174 -0.500
73 H LEU 9 H LEU 9 -4.259 1.262 -2.063
74 HA LEU 9 HA LEU 9 -6.169 -0.801 -1.691
75 1HB LEU 9 2HB LEU 9 -3.843 -1.149 -3.527
76 2HB LEU 9 1HB LEU 9 -5.528 -1.563 -3.780
77 HG LEU 9 HG LEU 9 -4.444 1.246 -3.781
78 1HD1 LEU 9 1HD1 LEU 9 -4.998 1.029 -6.275
79 2HD1 LEU 9 2HD1 LEU 9 -4.946 -0.711 -5.997
80 3HD1 LEU 9 3HD1 LEU 9 -3.516 0.274 -5.690
81 1HD2 LEU 9 1HD2 LEU 9 -7.105 0.166 -3.686
82 2HD2 LEU 9 2HD2 LEU 9 -6.864 1.053 -5.190
83 3HD2 LEU 9 3HD2 LEU 9 -6.581 1.849 -3.642
84 H ALA 10 H ALA 10 -2.721 -0.507 -1.310
85 HA ALA 10 HA ALA 10 -2.013 -3.147 -0.823
86 1HB ALA 10 1HB ALA 10 -0.264 -1.609 -1.111
87 2HB ALA 10 2HB ALA 10 -0.133 -2.147 0.564
88 3HB ALA 10 3HB ALA 10 -0.845 -0.576 0.195
89 H CYS 11 H CYS 11 -3.042 -0.692 1.573
90 HA CYS 11 HA CYS 11 -2.850 -2.432 3.807
91 1HB CYS 11 2HB CYS 11 -4.839 -0.168 3.629
92 2HB CYS 11 1HB CYS 11 -4.038 -0.796 5.056
93 H ARG 12 H ARG 12 -5.547 -1.524 1.703
94 HA ARG 12 HA ARG 12 -7.595 -2.875 3.006
95 1HB ARG 12 2HB ARG 12 -8.056 -1.256 1.277
96 2HB ARG 12 1HB ARG 12 -7.257 -2.255 0.072
97 1HG ARG 12 2HG ARG 12 -9.666 -2.408 -0.140
98 2HG ARG 12 1HG ARG 12 -8.984 -3.963 0.340
99 1HD ARG 12 2HD ARG 12 -9.572 -3.428 2.695
100 2HD ARG 12 1HD ARG 12 -10.368 -1.964 2.126
101 HE ARG 12 HE ARG 12 -12.150 -3.231 1.489
102 1HH1 ARG 12 1HH1 ARG 12 -9.408 -5.376 1.960
103 2HH1 ARG 12 2HH1 ARG 12 -10.326 -6.814 1.651
104 1HH2 ARG 12 1HH2 ARG 12 -13.354 -5.134 1.087
105 2HH2 ARG 12 2HH2 ARG 12 -12.571 -6.677 1.155
106 H ALA 13 H ALA 13 -5.437 -4.059 0.455
107 HA ALA 13 HA ALA 13 -6.692 -6.677 0.553
108 1HB ALA 13 1HB ALA 13 -4.216 -6.103 -1.011
109 2HB ALA 13 2HB ALA 13 -5.762 -5.444 -1.541
110 3HB ALA 13 3HB ALA 13 -5.553 -7.189 -1.387
111 H GLY 14 H GLY 14 -4.643 -5.183 2.504
112 1HA GLY 14 2HA GLY 14 -3.159 -5.863 4.117
113 2HA GLY 14 1HA GLY 14 -3.734 -7.485 3.820
114 H ILE 15 H ILE 15 -2.481 -5.835 1.151
115 HA ILE 15 HA ILE 15 -0.201 -7.641 1.111
116 HB ILE 15 HB ILE 15 0.167 -6.804 -1.204
117 1HG1 ILE 15 2HG1 ILE 15 -2.404 -5.287 -0.695
118 2HG1 ILE 15 1HG1 ILE 15 -0.813 -4.571 -0.936
119 1HG2 ILE 15 1HG2 ILE 15 -2.197 -7.684 -2.010
120 2HG2 ILE 15 2HG2 ILE 15 -2.333 -8.132 -0.309
121 3HG2 ILE 15 3HG2 ILE 15 -1.002 -8.757 -1.284
122 1HD1 ILE 15 1HD1 ILE 15 -2.510 -4.651 -2.891
123 2HD1 ILE 15 2HD1 ILE 15 -1.986 -6.327 -3.042
124 3HD1 ILE 15 3HD1 ILE 15 -0.812 -5.019 -3.194
125 H GLY 16 H GLY 16 -0.583 -5.224 2.818
126 1HA GLY 16 2HA GLY 16 1.198 -3.181 2.065
127 2HA GLY 16 1HA GLY 16 0.744 -3.575 3.717
128 H HIS 17 H HIS 17 1.752 -6.149 3.923
129 HA HIS 17 HA HIS 17 4.525 -5.572 4.319
130 1HB HIS 17 2HB HIS 17 4.688 -7.678 5.409
131 2HB HIS 17 1HB HIS 17 3.111 -7.032 5.835
132 HD1 HIS 17 1HD HIS 17 4.604 -9.511 3.357
133 HD2 HIS 17 2HD HIS 17 1.077 -8.786 5.439
134 HE1 HIS 17 1HE HIS 17 3.119 -11.485 2.878
135 H LYS 18 H LYS 18 2.821 -6.522 1.646
136 HA LYS 18 HA LYS 18 4.929 -8.189 0.520
137 1HB LYS 18 2HB LYS 18 2.565 -8.802 0.116
138 2HB LYS 18 1HB LYS 18 2.312 -7.262 -0.694
139 1HG LYS 18 2HG LYS 18 4.114 -7.970 -2.321
140 2HG LYS 18 1HG LYS 18 4.006 -9.573 -1.597
141 1HD LYS 18 2HD LYS 18 1.706 -8.078 -2.856
142 2HD LYS 18 1HD LYS 18 2.641 -9.348 -3.644
143 1HE LYS 18 2HE LYS 18 1.920 -10.947 -1.961
144 2HE LYS 18 1HE LYS 18 1.037 -9.680 -1.110
145 1HZ LYS 18 1HZ LYS 18 -0.695 -9.982 -2.437
146 2HZ LYS 18 2HZ LYS 18 0.091 -11.309 -3.132
147 3HZ LYS 18 3HZ LYS 18 0.248 -9.776 -3.827
148 H TYR 19 H TYR 19 3.445 -5.029 0.140
149 HA TYR 19 HA TYR 19 5.301 -4.318 -1.998
150 1HB TYR 19 2HB TYR 19 2.933 -2.895 -0.774
151 2HB TYR 19 1HB TYR 19 3.987 -2.139 -1.962
152 HD1 TYR 19 1HD TYR 19 2.306 -1.806 -3.631
153 HD2 TYR 19 2HD TYR 19 3.020 -5.705 -2.086
154 HE1 TYR 19 1HE TYR 19 0.960 -2.770 -5.449
155 HE2 TYR 19 2HE TYR 19 1.678 -6.675 -3.898
156 HH TYR 19 HH TYR 19 0.371 -4.681 -6.496
157 HA PRO 20 HA PRO 20 8.122 -2.826 1.197
158 1HB PRO 20 2HB PRO 20 9.505 -1.821 -1.234
159 2HB PRO 20 1HB PRO 20 10.139 -2.783 0.107
160 1HG PRO 20 2HG PRO 20 9.666 -3.907 -2.259
161 2HG PRO 20 1HG PRO 20 9.304 -4.772 -0.752
162 1HD PRO 20 2HD PRO 20 7.442 -3.375 -2.633
163 2HD PRO 20 1HD PRO 20 7.220 -4.901 -1.751
164 H PHE 21 H PHE 21 7.249 -0.879 -1.644
165 HA PHE 21 HA PHE 21 7.780 1.605 -0.330
166 1HB PHE 21 2HB PHE 21 6.629 2.566 -2.394
167 2HB PHE 21 1HB PHE 21 8.099 1.638 -2.658
168 HD1 PHE 21 1HD PHE 21 4.401 1.101 -2.515
169 HD2 PHE 21 2HD PHE 21 8.106 0.112 -4.358
170 HE1 PHE 21 1HE PHE 21 3.214 -0.334 -4.122
171 HE2 PHE 21 2HE PHE 21 6.927 -1.324 -5.968
172 HZ PHE 21 HZ PHE 21 4.476 -1.548 -5.851
173 H CYS 22 H CYS 22 5.379 -0.529 0.170
174 HA CYS 22 HA CYS 22 3.651 1.505 1.326
175 1HB CYS 22 2HB CYS 22 2.765 -0.441 -0.794
176 2HB CYS 22 1HB CYS 22 1.633 0.153 0.414
177 H HIS 23 H HIS 23 5.306 0.036 2.733
178 HA HIS 23 HA HIS 23 4.383 -2.507 3.557
179 1HB HIS 23 2HB HIS 23 6.000 -2.282 5.419
180 2HB HIS 23 1HB HIS 23 6.709 -1.947 3.847
181 HD1 HIS 23 1HD HIS 23 8.443 -0.882 5.803
182 HD2 HIS 23 2HD HIS 23 5.018 1.244 4.794
183 HE1 HIS 23 1HE HIS 23 8.885 1.486 6.521
184 H CYS 24 H CYS 24 2.183 -1.280 3.605
185 HA CYS 24 HA CYS 24 1.445 -0.081 6.109
186 1HB CYS 24 2HB CYS 24 0.442 0.437 3.862
187 2HB CYS 24 1HB CYS 24 -0.313 -1.151 3.899
188 H ARG 25 H ARG 25 -0.617 -1.017 7.169
189 HA ARG 25 HA ARG 25 0.052 -3.622 8.173
190 1HB ARG 25 2HB ARG 25 -0.841 -1.862 9.644
191 2HB ARG 25 1HB ARG 25 -2.345 -1.863 8.736
192 1HG ARG 25 2HG ARG 25 -2.667 -4.240 9.398
193 2HG ARG 25 1HG ARG 25 -1.244 -4.093 10.430
194 1HD ARG 25 2HD ARG 25 -2.308 -2.389 11.747
195 2HD ARG 25 1HD ARG 25 -3.680 -2.329 10.642
196 HE ARG 25 HE ARG 25 -3.321 -4.122 12.807
197 1HH1 ARG 25 1HH1 ARG 25 -4.621 -3.963 9.553
198 2HH1 ARG 25 2HH1 ARG 25 -5.736 -5.265 9.795
199 1HH2 ARG 25 1HH2 ARG 25 -4.795 -5.844 13.130
200 2HH2 ARG 25 2HH2 ARG 25 -5.836 -6.338 11.836
201 1HN NH2 26 1H ARG 25 -1.673 -5.546 5.919
202 2HN NH2 26 2H ARG 25 -0.203 -4.635 5.958
Start of MODEL 9
1 1H PHE 1 1HT PHE 1 0.344 12.940 7.524
2 2H PHE 1 2HT PHE 1 -0.276 11.488 8.134
3 3H PHE 1 3HT PHE 1 -0.737 12.025 6.598
4 HA PHE 1 HA PHE 1 2.088 11.811 6.813
5 1HB PHE 1 2HB PHE 1 1.518 10.069 8.438
6 2HB PHE 1 1HB PHE 1 0.388 9.349 7.299
7 HD1 PHE 1 1HD PHE 1 3.979 10.406 7.284
8 HD2 PHE 1 2HD PHE 1 1.103 7.421 6.317
9 HE1 PHE 1 1HE PHE 1 5.773 8.967 6.408
10 HE2 PHE 1 2HE PHE 1 2.891 5.976 5.442
11 HZ PHE 1 HZ PHE 1 5.230 6.748 5.486
12 HA PRO 2 HA PRO 2 0.787 11.507 2.536
13 1HB PRO 2 2HB PRO 2 3.152 12.109 1.425
14 2HB PRO 2 1HB PRO 2 2.182 13.335 2.249
15 1HG PRO 2 2HG PRO 2 4.595 11.866 3.209
16 2HG PRO 2 1HG PRO 2 4.140 13.560 3.459
17 1HD PRO 2 2HD PRO 2 3.773 11.517 5.302
18 2HD PRO 2 1HD PRO 2 2.903 13.062 5.303
19 H ARG 3 H ARG 3 0.846 9.897 1.012
20 HA ARG 3 HA ARG 3 3.004 8.087 0.701
21 1HB ARG 3 2HB ARG 3 2.137 6.075 1.582
22 2HB ARG 3 1HB ARG 3 1.910 7.260 2.856
23 1HG ARG 3 2HG ARG 3 -0.268 6.479 0.937
24 2HG ARG 3 1HG ARG 3 0.013 5.655 2.470
25 1HD ARG 3 2HD ARG 3 -0.300 7.804 3.642
26 2HD ARG 3 1HD ARG 3 -0.657 8.572 2.095
27 HE ARG 3 HE ARG 3 -2.361 6.368 2.430
28 1HH1 ARG 3 1HH1 ARG 3 -1.804 9.538 3.784
29 2HH1 ARG 3 2HH1 ARG 3 -3.456 9.778 4.247
30 1HH2 ARG 3 1HH2 ARG 3 -4.551 6.661 3.050
31 2HH2 ARG 3 2HH2 ARG 3 -5.024 8.129 3.837
32 HA PRO 4 HA PRO 4 1.218 7.741 -3.287
33 1HB PRO 4 2HB PRO 4 1.724 5.059 -3.814
34 2HB PRO 4 1HB PRO 4 2.857 6.387 -4.075
35 1HG PRO 4 2HG PRO 4 2.674 4.469 -1.797
36 2HG PRO 4 1HG PRO 4 4.112 5.154 -2.580
37 1HD PRO 4 2HD PRO 4 3.245 6.048 -0.203
38 2HD PRO 4 1HD PRO 4 3.953 7.148 -1.408
39 H ARG 5 H ARG 5 -0.624 7.108 -4.332
40 HA ARG 5 HA ARG 5 -2.860 6.384 -2.847
41 1HB ARG 5 2HB ARG 5 -2.919 7.588 -5.005
42 2HB ARG 5 1HB ARG 5 -2.456 6.110 -5.833
43 1HG ARG 5 2HG ARG 5 -4.819 6.467 -6.075
44 2HG ARG 5 1HG ARG 5 -4.543 5.053 -5.058
45 1HD ARG 5 2HD ARG 5 -4.974 6.381 -3.065
46 2HD ARG 5 1HD ARG 5 -5.184 7.826 -4.054
47 HE ARG 5 HE ARG 5 -6.974 5.871 -4.955
48 1HH1 ARG 5 1HH1 ARG 5 -6.440 7.880 -2.142
49 2HH1 ARG 5 2HH1 ARG 5 -8.114 7.942 -1.703
50 1HH2 ARG 5 1HH2 ARG 5 -9.196 5.958 -4.388
51 2HH2 ARG 5 2HH2 ARG 5 -9.688 6.848 -2.986
52 H ILE 6 H ILE 6 -0.515 4.388 -4.446
53 HA ILE 6 HA ILE 6 -1.960 2.006 -4.721
54 HB ILE 6 HB ILE 6 0.978 2.237 -4.088
55 1HG1 ILE 6 2HG1 ILE 6 -0.377 2.319 -6.795
56 2HG1 ILE 6 1HG1 ILE 6 0.323 3.711 -5.975
57 1HG2 ILE 6 1HG2 ILE 6 -0.475 -0.015 -4.230
58 2HG2 ILE 6 2HG2 ILE 6 1.217 0.077 -4.722
59 3HG2 ILE 6 3HG2 ILE 6 -0.062 0.177 -5.933
60 1HD1 ILE 6 1HD1 ILE 6 1.752 1.313 -7.082
61 2HD1 ILE 6 2HD1 ILE 6 2.520 2.498 -6.024
62 3HD1 ILE 6 3HD1 ILE 6 1.886 2.995 -7.593
63 H CYS 7 H CYS 7 -0.235 3.374 -1.992
64 HA CYS 7 HA CYS 7 -0.182 1.162 -0.299
65 1HB CYS 7 2HB CYS 7 -0.415 4.105 0.317
66 2HB CYS 7 1HB CYS 7 -0.156 2.875 1.542
67 H ASN 8 H ASN 8 -2.759 3.286 -1.178
68 HA ASN 8 HA ASN 8 -4.531 2.822 0.968
69 1HB ASN 8 2HB ASN 8 -4.696 4.536 -0.973
70 2HB ASN 8 1HB ASN 8 -5.484 3.234 -1.854
71 1HD2 ASN 8 1HD2 ASN 8 -7.602 3.087 -1.657
72 2HD2 ASN 8 2HD2 ASN 8 -8.552 3.764 -0.384
73 H LEU 9 H LEU 9 -4.296 1.261 -2.213
74 HA LEU 9 HA LEU 9 -6.270 -0.698 -1.573
75 1HB LEU 9 2HB LEU 9 -5.625 -1.774 -3.686
76 2HB LEU 9 1HB LEU 9 -5.975 -0.070 -3.876
77 HG LEU 9 HG LEU 9 -3.325 0.110 -3.622
78 1HD1 LEU 9 1HD1 LEU 9 -2.498 -1.868 -5.129
79 2HD1 LEU 9 2HD1 LEU 9 -3.862 -2.714 -4.399
80 3HD1 LEU 9 3HD1 LEU 9 -2.589 -2.047 -3.377
81 1HD2 LEU 9 1HD2 LEU 9 -3.207 0.061 -6.093
82 2HD2 LEU 9 2HD2 LEU 9 -4.573 0.993 -5.479
83 3HD2 LEU 9 3HD2 LEU 9 -4.832 -0.628 -6.125
84 H ALA 10 H ALA 10 -2.833 -0.457 -1.271
85 HA ALA 10 HA ALA 10 -2.175 -3.162 -0.947
86 1HB ALA 10 1HB ALA 10 -0.231 -2.220 0.418
87 2HB ALA 10 2HB ALA 10 -0.902 -0.631 0.046
88 3HB ALA 10 3HB ALA 10 -0.376 -1.694 -1.259
89 H CYS 11 H CYS 11 -3.097 -0.698 1.454
90 HA CYS 11 HA CYS 11 -2.891 -2.398 3.708
91 1HB CYS 11 2HB CYS 11 -4.708 0.004 3.345
92 2HB CYS 11 1HB CYS 11 -4.266 -0.730 4.878
93 H ARG 12 H ARG 12 -5.565 -1.573 1.554
94 HA ARG 12 HA ARG 12 -7.642 -2.830 2.920
95 1HB ARG 12 2HB ARG 12 -7.969 -1.284 1.031
96 2HB ARG 12 1HB ARG 12 -7.324 -2.499 -0.066
97 1HG ARG 12 2HG ARG 12 -9.186 -4.001 0.582
98 2HG ARG 12 1HG ARG 12 -9.857 -2.686 1.549
99 1HD ARG 12 2HD ARG 12 -10.959 -2.772 -0.601
100 2HD ARG 12 1HD ARG 12 -10.000 -1.298 -0.477
101 HE ARG 12 HE ARG 12 -8.417 -3.243 -1.699
102 1HH1 ARG 12 1HH1 ARG 12 -11.340 -1.446 -2.368
103 2HH1 ARG 12 2HH1 ARG 12 -11.128 -1.476 -4.088
104 1HH2 ARG 12 1HH2 ARG 12 -8.121 -3.290 -3.975
105 2HH2 ARG 12 2HH2 ARG 12 -9.289 -2.529 -5.005
106 H ALA 13 H ALA 13 -5.466 -4.135 0.446
107 HA ALA 13 HA ALA 13 -6.703 -6.753 0.687
108 1HB ALA 13 1HB ALA 13 -5.569 -7.362 -1.230
109 2HB ALA 13 2HB ALA 13 -4.243 -6.239 -0.926
110 3HB ALA 13 3HB ALA 13 -5.805 -5.632 -1.478
111 H GLY 14 H GLY 14 -4.669 -5.148 2.555
112 1HA GLY 14 2HA GLY 14 -3.163 -5.725 4.187
113 2HA GLY 14 1HA GLY 14 -3.738 -7.362 3.989
114 H ILE 15 H ILE 15 -2.469 -5.815 1.251
115 HA ILE 15 HA ILE 15 -0.229 -7.661 1.255
116 HB ILE 15 HB ILE 15 0.167 -6.794 -1.078
117 1HG1 ILE 15 2HG1 ILE 15 -2.471 -5.406 -0.552
118 2HG1 ILE 15 1HG1 ILE 15 -0.926 -4.620 -0.854
119 1HG2 ILE 15 1HG2 ILE 15 -1.946 -8.476 -0.080
120 2HG2 ILE 15 2HG2 ILE 15 -0.919 -8.683 -1.498
121 3HG2 ILE 15 3HG2 ILE 15 -2.402 -7.735 -1.614
122 1HD1 ILE 15 1HD1 ILE 15 -2.548 -4.697 -2.779
123 2HD1 ILE 15 2HD1 ILE 15 -2.236 -6.431 -2.855
124 3HD1 ILE 15 3HD1 ILE 15 -0.919 -5.286 -3.110
125 H GLY 16 H GLY 16 -0.500 -5.222 2.948
126 1HA GLY 16 2HA GLY 16 1.340 -3.248 2.121
127 2HA GLY 16 1HA GLY 16 0.899 -3.594 3.788
128 H HIS 17 H HIS 17 1.803 -6.300 3.810
129 HA HIS 17 HA HIS 17 4.552 -5.850 4.402
130 1HB HIS 17 2HB HIS 17 2.951 -7.520 5.525
131 2HB HIS 17 1HB HIS 17 3.253 -8.560 4.140
132 HD1 HIS 17 1HD HIS 17 6.189 -8.572 3.779
133 HD2 HIS 17 2HD HIS 17 4.463 -8.407 7.561
134 HE1 HIS 17 1HE HIS 17 7.932 -9.462 5.358
135 H LYS 18 H LYS 18 2.825 -6.876 1.634
136 HA LYS 18 HA LYS 18 5.082 -8.152 0.360
137 1HB LYS 18 2HB LYS 18 2.326 -7.444 -0.645
138 2HB LYS 18 1HB LYS 18 3.541 -8.256 -1.621
139 1HG LYS 18 2HG LYS 18 3.568 -10.117 -0.040
140 2HG LYS 18 1HG LYS 18 2.347 -9.303 0.936
141 1HD LYS 18 2HD LYS 18 1.221 -10.925 -0.397
142 2HD LYS 18 1HD LYS 18 0.844 -9.341 -1.072
143 1HE LYS 18 2HE LYS 18 3.072 -11.056 -2.144
144 2HE LYS 18 1HE LYS 18 1.411 -11.217 -2.710
145 1HZ LYS 18 1HZ LYS 18 3.150 -8.820 -2.918
146 2HZ LYS 18 2HZ LYS 18 1.500 -8.814 -3.288
147 3HZ LYS 18 3HZ LYS 18 2.563 -9.774 -4.185
148 H TYR 19 H TYR 19 3.453 -5.042 0.255
149 HA TYR 19 HA TYR 19 5.067 -4.190 -2.013
150 1HB TYR 19 2HB TYR 19 2.825 -2.916 -0.463
151 2HB TYR 19 1HB TYR 19 3.785 -1.989 -1.613
152 HD1 TYR 19 1HD TYR 19 2.828 -5.543 -2.034
153 HD2 TYR 19 2HD TYR 19 2.080 -1.520 -3.200
154 HE1 TYR 19 1HE TYR 19 1.415 -6.346 -3.875
155 HE2 TYR 19 2HE TYR 19 0.662 -2.316 -5.045
156 HH TYR 19 HH TYR 19 -0.141 -4.085 -6.122
157 HA PRO 20 HA PRO 20 8.337 -2.866 0.756
158 1HB PRO 20 2HB PRO 20 9.287 -1.647 -1.781
159 2HB PRO 20 1HB PRO 20 10.138 -2.707 -0.652
160 1HG PRO 20 2HG PRO 20 9.271 -3.632 -2.992
161 2HG PRO 20 1HG PRO 20 9.179 -4.629 -1.527
162 1HD PRO 20 2HD PRO 20 7.015 -3.116 -2.933
163 2HD PRO 20 1HD PRO 20 6.953 -4.713 -2.157
164 H PHE 21 H PHE 21 7.043 -0.700 -1.753
165 HA PHE 21 HA PHE 21 7.715 1.647 -0.235
166 1HB PHE 21 2HB PHE 21 6.417 2.806 -2.116
167 2HB PHE 21 1HB PHE 21 7.893 1.958 -2.553
168 HD1 PHE 21 1HD PHE 21 4.229 1.255 -2.257
169 HD2 PHE 21 2HD PHE 21 7.837 0.661 -4.433
170 HE1 PHE 21 1HE PHE 21 2.993 -0.033 -3.947
171 HE2 PHE 21 2HE PHE 21 6.607 -0.627 -6.128
172 HZ PHE 21 HZ PHE 21 4.180 -0.975 -5.887
173 H CYS 22 H CYS 22 5.356 -0.544 0.227
174 HA CYS 22 HA CYS 22 3.679 1.423 1.585
175 1HB CYS 22 2HB CYS 22 2.624 -0.598 -0.407
176 2HB CYS 22 1HB CYS 22 1.610 0.208 0.782
177 H HIS 23 H HIS 23 5.268 0.178 3.068
178 HA HIS 23 HA HIS 23 4.677 -2.491 3.814
179 1HB HIS 23 2HB HIS 23 6.338 -0.297 4.974
180 2HB HIS 23 1HB HIS 23 5.985 -1.714 5.959
181 HD1 HIS 23 1HD HIS 23 8.848 -1.358 5.355
182 HD2 HIS 23 2HD HIS 23 6.300 -3.340 2.738
183 HE1 HIS 23 1HE HIS 23 10.332 -2.830 3.960
184 H CYS 24 H CYS 24 2.299 -1.523 3.755
185 HA CYS 24 HA CYS 24 1.329 -0.552 6.289
186 1HB CYS 24 2HB CYS 24 0.384 -0.105 3.934
187 2HB CYS 24 1HB CYS 24 -0.323 -1.712 4.062
188 H ARG 25 H ARG 25 -0.869 -1.890 6.829
189 HA ARG 25 HA ARG 25 0.126 -4.369 7.931
190 1HB ARG 25 2HB ARG 25 -2.545 -2.974 8.188
191 2HB ARG 25 1HB ARG 25 -2.172 -4.504 8.968
192 1HG ARG 25 2HG ARG 25 -1.824 -2.905 10.625
193 2HG ARG 25 1HG ARG 25 -0.204 -3.283 10.041
194 1HD ARG 25 2HD ARG 25 -0.405 -1.280 8.527
195 2HD ARG 25 1HD ARG 25 -1.882 -0.867 9.395
196 HE ARG 25 HE ARG 25 -0.606 -0.075 11.108
197 1HH1 ARG 25 1HH1 ARG 25 1.411 -2.106 9.085
198 2HH1 ARG 25 2HH1 ARG 25 2.861 -1.777 9.974
199 1HH2 ARG 25 1HH2 ARG 25 1.309 0.360 12.287
200 2HH2 ARG 25 2HH2 ARG 25 2.801 -0.375 11.802
201 1HN NH2 26 1H ARG 25 -1.028 -6.564 7.455
202 2HN NH2 26 2H ARG 25 -2.581 -6.409 6.714
Start of MODEL 10
1 1H PHE 1 1HT PHE 1 -1.724 12.540 7.519
2 2H PHE 1 2HT PHE 1 -1.718 11.004 8.228
3 3H PHE 1 3HT PHE 1 -2.161 11.185 6.606
4 HA PHE 1 HA PHE 1 0.432 12.249 7.168
5 1HB PHE 1 2HB PHE 1 -0.184 9.330 7.664
6 2HB PHE 1 1HB PHE 1 1.431 9.899 7.266
7 HD1 PHE 1 1HD PHE 1 2.829 10.020 9.057
8 HD2 PHE 1 2HD PHE 1 -1.285 10.951 9.625
9 HE1 PHE 1 1HE PHE 1 3.262 10.466 11.436
10 HE2 PHE 1 2HE PHE 1 -0.858 11.403 12.004
11 HZ PHE 1 HZ PHE 1 1.417 11.161 12.914
12 HA PRO 2 HA PRO 2 0.273 11.740 2.773
13 1HB PRO 2 2HB PRO 2 2.936 11.880 2.211
14 2HB PRO 2 1HB PRO 2 1.953 13.292 2.615
15 1HG PRO 2 2HG PRO 2 3.793 11.700 4.357
16 2HG PRO 2 1HG PRO 2 3.582 13.458 4.262
17 1HD PRO 2 2HD PRO 2 2.469 11.967 6.224
18 2HD PRO 2 1HD PRO 2 1.691 13.428 5.582
19 H ARG 3 H ARG 3 0.363 10.100 1.307
20 HA ARG 3 HA ARG 3 2.224 7.961 1.414
21 1HB ARG 3 2HB ARG 3 0.586 6.144 1.892
22 2HB ARG 3 1HB ARG 3 0.918 7.170 3.280
23 1HG ARG 3 2HG ARG 3 -1.174 8.194 3.178
24 2HG ARG 3 1HG ARG 3 -1.450 7.672 1.517
25 1HD ARG 3 2HD ARG 3 -2.789 6.415 3.179
26 2HD ARG 3 1HD ARG 3 -1.721 5.392 2.219
27 HE ARG 3 HE ARG 3 -0.386 6.106 4.575
28 1HH1 ARG 3 1HH1 ARG 3 -3.133 4.216 3.544
29 2HH1 ARG 3 2HH1 ARG 3 -3.002 3.064 4.833
30 1HH2 ARG 3 1HH2 ARG 3 -0.204 4.598 6.304
31 2HH2 ARG 3 2HH2 ARG 3 -1.336 3.292 6.418
32 HA PRO 4 HA PRO 4 1.068 7.799 -2.842
33 1HB PRO 4 2HB PRO 4 1.688 4.900 -2.643
34 2HB PRO 4 1HB PRO 4 2.357 6.121 -3.731
35 1HG PRO 4 2HG PRO 4 3.792 5.182 -1.691
36 2HG PRO 4 1HG PRO 4 3.868 6.893 -2.151
37 1HD PRO 4 2HD PRO 4 2.419 5.602 0.124
38 2HD PRO 4 1HD PRO 4 3.293 7.147 0.075
39 H ARG 5 H ARG 5 -0.673 7.215 -4.087
40 HA ARG 5 HA ARG 5 -3.066 6.513 -2.880
41 1HB ARG 5 2HB ARG 5 -2.833 7.682 -5.060
42 2HB ARG 5 1HB ARG 5 -2.341 6.164 -5.794
43 1HG ARG 5 2HG ARG 5 -4.651 6.587 -6.293
44 2HG ARG 5 1HG ARG 5 -4.534 5.200 -5.209
45 1HD ARG 5 2HD ARG 5 -6.351 6.641 -4.513
46 2HD ARG 5 1HD ARG 5 -5.068 6.666 -3.306
47 HE ARG 5 HE ARG 5 -4.850 8.901 -3.660
48 1HH1 ARG 5 1HH1 ARG 5 -6.485 7.534 -6.443
49 2HH1 ARG 5 2HH1 ARG 5 -6.725 9.065 -7.217
50 1HH2 ARG 5 1HH2 ARG 5 -5.173 10.927 -4.676
51 2HH2 ARG 5 2HH2 ARG 5 -5.978 10.999 -6.209
52 H ILE 6 H ILE 6 -0.653 4.473 -4.381
53 HA ILE 6 HA ILE 6 -2.152 2.107 -4.616
54 HB ILE 6 HB ILE 6 0.811 2.324 -4.124
55 1HG1 ILE 6 2HG1 ILE 6 -0.677 2.371 -6.761
56 2HG1 ILE 6 1HG1 ILE 6 0.064 3.773 -5.997
57 1HG2 ILE 6 1HG2 ILE 6 -0.876 0.095 -4.438
58 2HG2 ILE 6 2HG2 ILE 6 0.889 0.121 -4.403
59 3HG2 ILE 6 3HG2 ILE 6 0.035 0.252 -5.941
60 1HD1 ILE 6 1HD1 ILE 6 2.172 2.097 -6.089
61 2HD1 ILE 6 2HD1 ILE 6 1.778 3.268 -7.346
62 3HD1 ILE 6 3HD1 ILE 6 1.283 1.586 -7.523
63 H CYS 7 H CYS 7 -0.270 3.427 -1.958
64 HA CYS 7 HA CYS 7 -0.132 1.213 -0.293
65 1HB CYS 7 2HB CYS 7 -0.391 4.145 0.363
66 2HB CYS 7 1HB CYS 7 -0.083 2.911 1.573
67 H ASN 8 H ASN 8 -2.808 3.280 -1.010
68 HA ASN 8 HA ASN 8 -4.423 2.634 1.224
69 1HB ASN 8 2HB ASN 8 -5.192 3.558 -1.548
70 2HB ASN 8 1HB ASN 8 -6.325 3.413 -0.206
71 1HD2 ASN 8 1HD2 ASN 8 -4.635 5.570 -1.871
72 2HD2 ASN 8 2HD2 ASN 8 -4.347 6.764 -0.656
73 H LEU 9 H LEU 9 -4.331 1.273 -2.069
74 HA LEU 9 HA LEU 9 -6.263 -0.726 -1.471
75 1HB LEU 9 2HB LEU 9 -5.639 -1.740 -3.613
76 2HB LEU 9 1HB LEU 9 -5.965 -0.027 -3.763
77 HG LEU 9 HG LEU 9 -3.311 0.107 -3.508
78 1HD1 LEU 9 1HD1 LEU 9 -3.429 -2.341 -5.172
79 2HD1 LEU 9 2HD1 LEU 9 -3.479 -2.547 -3.421
80 3HD1 LEU 9 3HD1 LEU 9 -2.121 -1.708 -4.170
81 1HD2 LEU 9 1HD2 LEU 9 -3.219 0.498 -5.803
82 2HD2 LEU 9 2HD2 LEU 9 -4.897 0.838 -5.381
83 3HD2 LEU 9 3HD2 LEU 9 -4.474 -0.691 -6.153
84 H ALA 10 H ALA 10 -2.828 -0.463 -1.200
85 HA ALA 10 HA ALA 10 -2.154 -3.172 -0.901
86 1HB ALA 10 1HB ALA 10 -0.504 -1.552 0.781
87 2HB ALA 10 2HB ALA 10 -0.820 -0.695 -0.727
88 3HB ALA 10 3HB ALA 10 -0.113 -2.309 -0.764
89 H CYS 11 H CYS 11 -3.075 -0.704 1.497
90 HA CYS 11 HA CYS 11 -2.847 -2.403 3.756
91 1HB CYS 11 2HB CYS 11 -4.720 -0.042 3.446
92 2HB CYS 11 1HB CYS 11 -4.195 -0.760 4.957
93 H ARG 12 H ARG 12 -5.546 -1.590 1.622
94 HA ARG 12 HA ARG 12 -7.579 -2.911 3.011
95 1HB ARG 12 2HB ARG 12 -7.938 -1.262 1.201
96 2HB ARG 12 1HB ARG 12 -7.357 -2.437 0.033
97 1HG ARG 12 2HG ARG 12 -9.689 -3.101 1.779
98 2HG ARG 12 1HG ARG 12 -9.906 -2.077 0.360
99 1HD ARG 12 2HD ARG 12 -8.980 -3.823 -1.061
100 2HD ARG 12 1HD ARG 12 -8.691 -4.840 0.350
101 HE ARG 12 HE ARG 12 -11.416 -4.146 0.239
102 1HH1 ARG 12 1HH1 ARG 12 -9.053 -6.121 -1.406
103 2HH1 ARG 12 2HH1 ARG 12 -10.209 -7.284 -1.964
104 1HH2 ARG 12 1HH2 ARG 12 -12.966 -5.679 -0.491
105 2HH2 ARG 12 2HH2 ARG 12 -12.447 -7.031 -1.442
106 H ALA 13 H ALA 13 -5.525 -4.082 0.358
107 HA ALA 13 HA ALA 13 -6.709 -6.715 0.514
108 1HB ALA 13 1HB ALA 13 -6.135 -6.532 -1.643
109 2HB ALA 13 2HB ALA 13 -4.530 -7.019 -1.095
110 3HB ALA 13 3HB ALA 13 -4.908 -5.309 -1.311
111 H GLY 14 H GLY 14 -4.632 -5.177 2.422
112 1HA GLY 14 2HA GLY 14 -3.169 -5.841 4.062
113 2HA GLY 14 1HA GLY 14 -3.742 -7.466 3.781
114 H ILE 15 H ILE 15 -2.468 -5.839 1.103
115 HA ILE 15 HA ILE 15 -0.193 -7.649 1.090
116 HB ILE 15 HB ILE 15 0.205 -6.743 -1.223
117 1HG1 ILE 15 2HG1 ILE 15 -2.459 -5.402 -0.705
118 2HG1 ILE 15 1HG1 ILE 15 -0.920 -4.588 -0.963
119 1HG2 ILE 15 1HG2 ILE 15 -2.585 -7.791 -1.096
120 2HG2 ILE 15 2HG2 ILE 15 -1.259 -8.781 -0.490
121 3HG2 ILE 15 3HG2 ILE 15 -1.260 -8.241 -2.168
122 1HD1 ILE 15 1HD1 ILE 15 -1.496 -4.453 -3.096
123 2HD1 ILE 15 2HD1 ILE 15 -2.836 -5.581 -2.880
124 3HD1 ILE 15 3HD1 ILE 15 -1.211 -6.191 -3.196
125 H GLY 16 H GLY 16 -0.599 -5.193 2.760
126 1HA GLY 16 2HA GLY 16 1.266 -3.214 1.984
127 2HA GLY 16 1HA GLY 16 0.712 -3.507 3.627
128 H HIS 17 H HIS 17 1.594 -6.167 3.865
129 HA HIS 17 HA HIS 17 4.308 -5.709 4.579
130 1HB HIS 17 2HB HIS 17 2.567 -8.171 4.610
131 2HB HIS 17 1HB HIS 17 4.261 -8.220 5.086
132 HD1 HIS 17 1HD HIS 17 2.397 -9.007 7.235
133 HD2 HIS 17 2HD HIS 17 3.351 -5.021 6.545
134 HE1 HIS 17 1HE HIS 17 1.933 -7.820 9.400
135 H LYS 18 H LYS 18 2.790 -6.719 1.720
136 HA LYS 18 HA LYS 18 5.124 -8.115 0.688
137 1HB LYS 18 2HB LYS 18 2.333 -7.668 -0.300
138 2HB LYS 18 1HB LYS 18 3.591 -8.106 -1.444
139 1HG LYS 18 2HG LYS 18 2.435 -10.084 -0.784
140 2HG LYS 18 1HG LYS 18 4.054 -10.128 -0.089
141 1HD LYS 18 2HD LYS 18 3.175 -9.437 2.066
142 2HD LYS 18 1HD LYS 18 1.556 -9.287 1.379
143 1HE LYS 18 2HE LYS 18 1.832 -11.386 2.618
144 2HE LYS 18 1HE LYS 18 1.508 -11.668 0.908
145 1HZ LYS 18 1HZ LYS 18 3.438 -12.716 0.673
146 2HZ LYS 18 2HZ LYS 18 3.576 -12.716 2.358
147 3HZ LYS 18 3HZ LYS 18 4.305 -11.489 1.450
148 H TYR 19 H TYR 19 3.475 -5.039 0.348
149 HA TYR 19 HA TYR 19 5.147 -4.254 -1.896
150 1HB TYR 19 2HB TYR 19 2.870 -2.962 -0.424
151 2HB TYR 19 1HB TYR 19 3.871 -2.025 -1.527
152 HD1 TYR 19 1HD TYR 19 2.136 -1.526 -3.090
153 HD2 TYR 19 2HD TYR 19 3.004 -5.572 -2.097
154 HE1 TYR 19 1HE TYR 19 0.777 -2.279 -4.993
155 HE2 TYR 19 2HE TYR 19 1.647 -6.335 -3.998
156 HH TYR 19 HH TYR 19 0.910 -4.786 -6.470
157 HA PRO 20 HA PRO 20 8.324 -2.782 0.924
158 1HB PRO 20 2HB PRO 20 9.418 -1.713 -1.614
159 2HB PRO 20 1HB PRO 20 10.183 -2.752 -0.409
160 1HG PRO 20 2HG PRO 20 9.401 -3.730 -2.766
161 2HG PRO 20 1HG PRO 20 9.239 -4.681 -1.277
162 1HD PRO 20 2HD PRO 20 7.150 -3.178 -2.804
163 2HD PRO 20 1HD PRO 20 7.041 -4.757 -1.997
164 H PHE 21 H PHE 21 7.101 -0.800 -1.763
165 HA PHE 21 HA PHE 21 7.731 1.656 -0.404
166 1HB PHE 21 2HB PHE 21 6.548 2.700 -2.381
167 2HB PHE 21 1HB PHE 21 7.957 1.718 -2.763
168 HD1 PHE 21 1HD PHE 21 4.239 1.502 -2.547
169 HD2 PHE 21 2HD PHE 21 7.807 0.096 -4.391
170 HE1 PHE 21 1HE PHE 21 2.896 0.186 -4.131
171 HE2 PHE 21 2HE PHE 21 6.469 -1.223 -5.979
172 HZ PHE 21 HZ PHE 21 4.011 -1.178 -5.851
173 H CYS 22 H CYS 22 5.371 -0.520 0.126
174 HA CYS 22 HA CYS 22 3.673 1.472 1.401
175 1HB CYS 22 2HB CYS 22 2.675 -0.475 -0.686
176 2HB CYS 22 1HB CYS 22 1.613 0.215 0.533
177 H HIS 23 H HIS 23 5.312 0.112 2.787
178 HA HIS 23 HA HIS 23 4.601 -2.529 3.495
179 1HB HIS 23 2HB HIS 23 6.835 -1.182 3.818
180 2HB HIS 23 1HB HIS 23 6.119 -0.780 5.377
181 HD1 HIS 23 1HD HIS 23 6.490 -4.005 3.376
182 HD2 HIS 23 2HD HIS 23 6.978 -2.535 7.236
183 HE1 HIS 23 1HE HIS 23 7.298 -5.955 4.740
184 H CYS 24 H CYS 24 2.288 -1.400 3.586
185 HA CYS 24 HA CYS 24 1.471 -0.423 6.159
186 1HB CYS 24 2HB CYS 24 0.418 0.058 3.883
187 2HB CYS 24 1HB CYS 24 -0.272 -1.556 3.977
188 H ARG 25 H ARG 25 -0.688 -1.675 6.919
189 HA ARG 25 HA ARG 25 0.206 -3.985 8.242
190 1HB ARG 25 2HB ARG 25 -1.653 -2.528 9.026
191 2HB ARG 25 1HB ARG 25 -2.660 -3.159 7.731
192 1HG ARG 25 2HG ARG 25 -2.459 -5.410 8.691
193 2HG ARG 25 1HG ARG 25 -1.487 -4.749 10.005
194 1HD ARG 25 2HD ARG 25 -3.725 -4.984 10.800
195 2HD ARG 25 1HD ARG 25 -3.410 -3.264 10.578
196 HE ARG 25 HE ARG 25 -4.584 -4.304 8.240
197 1HH1 ARG 25 1HH1 ARG 25 -5.393 -3.535 11.553
198 2HH1 ARG 25 2HH1 ARG 25 -7.072 -3.260 11.223
199 1HH2 ARG 25 1HH2 ARG 25 -6.808 -3.946 7.789
200 2HH2 ARG 25 2HH2 ARG 25 -7.880 -3.498 9.074
201 1HN NH2 26 1H ARG 25 -1.840 -3.704 5.298
202 2HN NH2 26 2H ARG 25 -2.346 -5.354 5.380
Start of MODEL 11
1 1H PHE 1 1HT PHE 1 1.547 10.377 8.787
2 2H PHE 1 2HT PHE 1 0.448 10.638 7.529
3 3H PHE 1 3HT PHE 1 1.154 11.955 8.320
4 HA PHE 1 HA PHE 1 2.905 11.943 7.003
5 1HB PHE 1 2HB PHE 1 2.926 8.986 7.630
6 2HB PHE 1 1HB PHE 1 4.128 9.732 6.586
7 HD1 PHE 1 1HD PHE 1 2.593 10.577 9.899
8 HD2 PHE 1 2HD PHE 1 6.139 10.029 7.610
9 HE1 PHE 1 1HE PHE 1 3.949 11.162 11.866
10 HE2 PHE 1 2HE PHE 1 7.501 10.613 9.573
11 HZ PHE 1 HZ PHE 1 6.407 11.179 11.705
12 HA PRO 2 HA PRO 2 0.927 11.231 3.095
13 1HB PRO 2 2HB PRO 2 2.885 12.135 1.468
14 2HB PRO 2 1HB PRO 2 1.901 13.221 2.456
15 1HG PRO 2 2HG PRO 2 4.662 12.185 2.956
16 2HG PRO 2 1HG PRO 2 4.019 13.819 3.197
17 1HD PRO 2 2HD PRO 2 4.337 12.023 5.222
18 2HD PRO 2 1HD PRO 2 3.096 13.290 5.230
19 H ARG 3 H ARG 3 0.972 9.776 1.365
20 HA ARG 3 HA ARG 3 3.242 8.189 0.732
21 1HB ARG 3 2HB ARG 3 2.388 6.013 1.467
22 2HB ARG 3 1HB ARG 3 2.660 7.082 2.835
23 1HG ARG 3 2HG ARG 3 0.211 7.588 2.820
24 2HG ARG 3 1HG ARG 3 0.024 6.325 1.599
25 1HD ARG 3 2HD ARG 3 1.023 4.701 3.154
26 2HD ARG 3 1HD ARG 3 1.158 5.965 4.373
27 HE ARG 3 HE ARG 3 -1.114 4.401 3.834
28 1HH1 ARG 3 1HH1 ARG 3 -0.257 7.720 4.569
29 2HH1 ARG 3 2HH1 ARG 3 -1.783 8.083 5.301
30 1HH2 ARG 3 1HH2 ARG 3 -3.120 4.874 4.821
31 2HH2 ARG 3 2HH2 ARG 3 -3.413 6.460 5.453
32 HA PRO 4 HA PRO 4 1.230 7.766 -3.140
33 1HB PRO 4 2HB PRO 4 1.838 4.851 -2.962
34 2HB PRO 4 1HB PRO 4 2.192 5.998 -4.260
35 1HG PRO 4 2HG PRO 4 4.116 5.188 -2.615
36 2HG PRO 4 1HG PRO 4 4.038 6.875 -3.160
37 1HD PRO 4 2HD PRO 4 3.302 5.698 -0.520
38 2HD PRO 4 1HD PRO 4 4.029 7.275 -0.893
39 H ARG 5 H ARG 5 -0.751 7.306 -3.970
40 HA ARG 5 HA ARG 5 -2.820 6.506 -2.260
41 1HB ARG 5 2HB ARG 5 -2.770 6.720 -5.270
42 2HB ARG 5 1HB ARG 5 -4.229 6.452 -4.328
43 1HG ARG 5 2HG ARG 5 -2.442 8.872 -4.267
44 2HG ARG 5 1HG ARG 5 -4.092 8.772 -4.883
45 1HD ARG 5 2HD ARG 5 -3.208 8.463 -2.015
46 2HD ARG 5 1HD ARG 5 -4.094 9.821 -2.704
47 HE ARG 5 HE ARG 5 -5.180 7.356 -1.773
48 1HH1 ARG 5 1HH1 ARG 5 -5.670 9.883 -4.159
49 2HH1 ARG 5 2HH1 ARG 5 -7.359 9.554 -4.341
50 1HH2 ARG 5 1HH2 ARG 5 -7.387 6.926 -2.007
51 2HH2 ARG 5 2HH2 ARG 5 -8.344 7.863 -3.110
52 H ILE 6 H ILE 6 -0.736 4.665 -4.301
53 HA ILE 6 HA ILE 6 -2.280 2.363 -4.716
54 HB ILE 6 HB ILE 6 0.704 2.472 -4.274
55 1HG1 ILE 6 2HG1 ILE 6 -0.833 2.781 -6.865
56 2HG1 ILE 6 1HG1 ILE 6 -0.058 4.099 -5.991
57 1HG2 ILE 6 1HG2 ILE 6 -0.362 0.218 -4.271
58 2HG2 ILE 6 2HG2 ILE 6 0.818 0.453 -5.562
59 3HG2 ILE 6 3HG2 ILE 6 -0.908 0.527 -5.919
60 1HD1 ILE 6 1HD1 ILE 6 2.117 2.949 -6.304
61 2HD1 ILE 6 2HD1 ILE 6 1.343 3.442 -7.810
62 3HD1 ILE 6 3HD1 ILE 6 1.291 1.754 -7.303
63 H CYS 7 H CYS 7 -0.364 3.462 -2.017
64 HA CYS 7 HA CYS 7 -0.226 1.139 -0.486
65 1HB CYS 7 2HB CYS 7 -0.418 4.033 0.354
66 2HB CYS 7 1HB CYS 7 -0.044 2.714 1.452
67 H ASN 8 H ASN 8 -2.833 3.345 -1.058
68 HA ASN 8 HA ASN 8 -4.495 2.720 1.135
69 1HB ASN 8 2HB ASN 8 -5.210 3.576 -1.678
70 2HB ASN 8 1HB ASN 8 -6.386 3.427 -0.379
71 1HD2 ASN 8 1HD2 ASN 8 -3.721 4.403 1.168
72 2HD2 ASN 8 2HD2 ASN 8 -3.926 6.116 1.090
73 H LEU 9 H LEU 9 -4.231 1.312 -2.086
74 HA LEU 9 HA LEU 9 -6.216 -0.687 -1.718
75 1HB LEU 9 2HB LEU 9 -3.918 -1.091 -3.576
76 2HB LEU 9 1HB LEU 9 -5.616 -1.456 -3.817
77 HG LEU 9 HG LEU 9 -4.455 1.324 -3.812
78 1HD1 LEU 9 1HD1 LEU 9 -4.033 -0.551 -5.740
79 2HD1 LEU 9 2HD1 LEU 9 -4.069 1.190 -6.019
80 3HD1 LEU 9 3HD1 LEU 9 -5.512 0.220 -6.314
81 1HD2 LEU 9 1HD2 LEU 9 -7.160 0.351 -4.726
82 2HD2 LEU 9 2HD2 LEU 9 -6.592 2.019 -4.673
83 3HD2 LEU 9 3HD2 LEU 9 -6.849 1.127 -3.173
84 H ALA 10 H ALA 10 -2.760 -0.495 -1.378
85 HA ALA 10 HA ALA 10 -2.120 -3.155 -0.895
86 1HB ALA 10 1HB ALA 10 -0.057 -2.421 -0.164
87 2HB ALA 10 2HB ALA 10 -0.722 -0.975 0.595
88 3HB ALA 10 3HB ALA 10 -0.600 -1.072 -1.162
89 H CYS 11 H CYS 11 -3.102 -0.655 1.459
90 HA CYS 11 HA CYS 11 -2.855 -2.332 3.734
91 1HB CYS 11 2HB CYS 11 -4.843 -0.062 3.474
92 2HB CYS 11 1HB CYS 11 -4.123 -0.687 4.943
93 H ARG 12 H ARG 12 -5.582 -1.559 1.610
94 HA ARG 12 HA ARG 12 -7.596 -2.895 2.999
95 1HB ARG 12 2HB ARG 12 -7.294 -2.326 0.055
96 2HB ARG 12 1HB ARG 12 -8.759 -2.985 0.769
97 1HG ARG 12 2HG ARG 12 -9.004 -0.994 2.142
98 2HG ARG 12 1HG ARG 12 -7.511 -0.336 1.470
99 1HD ARG 12 2HD ARG 12 -9.494 0.622 0.392
100 2HD ARG 12 1HD ARG 12 -8.500 -0.284 -0.747
101 HE ARG 12 HE ARG 12 -10.275 -1.654 -1.116
102 1HH1 ARG 12 1HH1 ARG 12 -10.792 -0.067 1.964
103 2HH1 ARG 12 2HH1 ARG 12 -12.340 -0.794 2.227
104 1HH2 ARG 12 1HH2 ARG 12 -12.324 -2.615 -0.774
105 2HH2 ARG 12 2HH2 ARG 12 -13.214 -2.247 0.664
106 H ALA 13 H ALA 13 -5.503 -4.087 0.397
107 HA ALA 13 HA ALA 13 -6.665 -6.729 0.572
108 1HB ALA 13 1HB ALA 13 -5.278 -7.313 -1.266
109 2HB ALA 13 2HB ALA 13 -4.224 -5.926 -0.993
110 3HB ALA 13 3HB ALA 13 -5.871 -5.680 -1.575
111 H GLY 14 H GLY 14 -4.644 -5.125 2.481
112 1HA GLY 14 2HA GLY 14 -3.166 -5.713 4.134
113 2HA GLY 14 1HA GLY 14 -3.740 -7.348 3.920
114 H ILE 15 H ILE 15 -2.415 -5.760 1.219
115 HA ILE 15 HA ILE 15 -0.203 -7.637 1.232
116 HB ILE 15 HB ILE 15 0.273 -6.713 -1.064
117 1HG1 ILE 15 2HG1 ILE 15 -2.384 -5.338 -0.604
118 2HG1 ILE 15 1HG1 ILE 15 -0.827 -4.538 -0.791
119 1HG2 ILE 15 1HG2 ILE 15 -0.843 -8.778 -0.941
120 2HG2 ILE 15 2HG2 ILE 15 -1.791 -7.803 -2.064
121 3HG2 ILE 15 3HG2 ILE 15 -2.345 -8.027 -0.405
122 1HD1 ILE 15 1HD1 ILE 15 -1.526 -4.308 -2.910
123 2HD1 ILE 15 2HD1 ILE 15 -2.627 -5.684 -2.812
124 3HD1 ILE 15 3HD1 ILE 15 -0.903 -5.950 -3.074
125 H GLY 16 H GLY 16 -0.473 -5.222 2.973
126 1HA GLY 16 2HA GLY 16 1.455 -3.284 2.250
127 2HA GLY 16 1HA GLY 16 0.950 -3.654 3.894
128 H HIS 17 H HIS 17 1.739 -6.457 3.653
129 HA HIS 17 HA HIS 17 4.476 -6.175 4.452
130 1HB HIS 17 2HB HIS 17 2.747 -7.816 5.404
131 2HB HIS 17 1HB HIS 17 3.022 -8.775 3.957
132 HD1 HIS 17 1HD HIS 17 5.948 -9.018 3.679
133 HD2 HIS 17 2HD HIS 17 4.135 -8.912 7.421
134 HE1 HIS 17 1HE HIS 17 7.568 -10.129 5.246
135 H LYS 18 H LYS 18 2.806 -6.947 1.558
136 HA LYS 18 HA LYS 18 5.100 -8.196 0.305
137 1HB LYS 18 2HB LYS 18 2.252 -7.793 -0.420
138 2HB LYS 18 1HB LYS 18 3.406 -7.950 -1.738
139 1HG LYS 18 2HG LYS 18 3.008 -9.934 0.491
140 2HG LYS 18 1HG LYS 18 2.388 -10.087 -1.152
141 1HD LYS 18 2HD LYS 18 5.319 -9.835 -0.485
142 2HD LYS 18 1HD LYS 18 4.492 -11.379 -0.681
143 1HE LYS 18 2HE LYS 18 5.486 -10.980 -2.762
144 2HE LYS 18 1HE LYS 18 3.801 -10.520 -2.987
145 1HZ LYS 18 1HZ LYS 18 5.798 -8.993 -3.761
146 2HZ LYS 18 2HZ LYS 18 5.662 -8.414 -2.178
147 3HZ LYS 18 3HZ LYS 18 4.332 -8.343 -3.221
148 H TYR 19 H TYR 19 3.533 -5.075 0.342
149 HA TYR 19 HA TYR 19 5.153 -4.180 -1.924
150 1HB TYR 19 2HB TYR 19 2.823 -2.993 -0.442
151 2HB TYR 19 1HB TYR 19 3.818 -2.003 -1.503
152 HD1 TYR 19 1HD TYR 19 2.177 -1.495 -3.141
153 HD2 TYR 19 2HD TYR 19 2.958 -5.551 -2.124
154 HE1 TYR 19 1HE TYR 19 0.866 -2.230 -5.085
155 HE2 TYR 19 2HE TYR 19 1.648 -6.296 -4.063
156 HH TYR 19 HH TYR 19 0.311 -3.986 -6.376
157 HA PRO 20 HA PRO 20 8.224 -2.782 1.061
158 1HB PRO 20 2HB PRO 20 9.440 -1.697 -1.413
159 2HB PRO 20 1HB PRO 20 10.139 -2.761 -0.188
160 1HG PRO 20 2HG PRO 20 9.452 -3.696 -2.593
161 2HG PRO 20 1HG PRO 20 9.220 -4.667 -1.128
162 1HD PRO 20 2HD PRO 20 7.211 -3.120 -2.718
163 2HD PRO 20 1HD PRO 20 7.054 -4.713 -1.948
164 H PHE 21 H PHE 21 7.125 -0.785 -1.666
165 HA PHE 21 HA PHE 21 7.692 1.663 -0.266
166 1HB PHE 21 2HB PHE 21 6.576 2.709 -2.293
167 2HB PHE 21 1HB PHE 21 8.028 1.766 -2.603
168 HD1 PHE 21 1HD PHE 21 4.312 1.380 -2.534
169 HD2 PHE 21 2HD PHE 21 8.007 0.227 -4.303
170 HE1 PHE 21 1HE PHE 21 3.094 0.040 -4.198
171 HE2 PHE 21 2HE PHE 21 6.793 -1.114 -5.971
172 HZ PHE 21 HZ PHE 21 4.333 -1.208 -5.920
173 H CYS 22 H CYS 22 5.354 -0.519 0.196
174 HA CYS 22 HA CYS 22 3.559 1.478 1.327
175 1HB CYS 22 2HB CYS 22 2.713 -0.592 -0.703
176 2HB CYS 22 1HB CYS 22 1.578 0.094 0.451
177 H HIS 23 H HIS 23 5.201 0.222 2.832
178 HA HIS 23 HA HIS 23 4.469 -2.383 3.683
179 1HB HIS 23 2HB HIS 23 6.735 -1.221 3.940
180 2HB HIS 23 1HB HIS 23 6.027 -0.398 5.328
181 HD1 HIS 23 1HD HIS 23 6.072 -4.033 4.193
182 HD2 HIS 23 2HD HIS 23 6.777 -1.708 7.565
183 HE1 HIS 23 1HE HIS 23 6.706 -5.654 6.008
184 H CYS 24 H CYS 24 2.171 -1.258 3.647
185 HA CYS 24 HA CYS 24 1.327 -0.043 6.102
186 1HB CYS 24 2HB CYS 24 0.334 0.230 3.754
187 2HB CYS 24 1HB CYS 24 -0.426 -1.333 4.024
188 H ARG 25 H ARG 25 -0.748 -1.104 7.099
189 HA ARG 25 HA ARG 25 -0.743 -3.967 7.271
190 1HB ARG 25 2HB ARG 25 1.210 -3.315 8.712
191 2HB ARG 25 1HB ARG 25 0.094 -2.423 9.735
192 1HG ARG 25 2HG ARG 25 -1.127 -4.553 10.148
193 2HG ARG 25 1HG ARG 25 0.144 -5.394 9.258
194 1HD ARG 25 2HD ARG 25 0.537 -5.507 11.662
195 2HD ARG 25 1HD ARG 25 1.805 -4.586 10.856
196 HE ARG 25 HE ARG 25 1.229 -2.800 12.133
197 1HH1 ARG 25 1HH1 ARG 25 -1.530 -4.956 12.036
198 2HH1 ARG 25 2HH1 ARG 25 -2.499 -3.975 13.083
199 1HH2 ARG 25 1HH2 ARG 25 -0.045 -1.506 13.527
200 2HH2 ARG 25 2HH2 ARG 25 -1.651 -2.008 13.934
201 1HN NH2 26 1H ARG 25 -3.971 -2.377 7.645
202 2HN NH2 26 2H ARG 25 -2.917 -3.220 6.566
Start of MODEL 12
1 1H PHE 1 1HT PHE 1 1.598 15.325 4.587
2 2H PHE 1 2HT PHE 1 1.136 14.885 3.021
3 3H PHE 1 3HT PHE 1 2.075 16.270 3.268
4 HA PHE 1 HA PHE 1 3.971 15.145 3.322
5 1HB PHE 1 2HB PHE 1 2.400 13.148 4.966
6 2HB PHE 1 1HB PHE 1 4.088 12.903 4.539
7 HD1 PHE 1 1HD PHE 1 2.033 15.719 5.913
8 HD2 PHE 1 2HD PHE 1 5.549 13.344 6.226
9 HE1 PHE 1 1HE PHE 1 2.727 17.014 7.886
10 HE2 PHE 1 2HE PHE 1 6.249 14.633 8.200
11 HZ PHE 1 HZ PHE 1 4.837 16.470 9.033
12 HA PRO 2 HA PRO 2 3.362 12.848 -0.416
13 1HB PRO 2 2HB PRO 2 6.128 11.896 -0.120
14 2HB PRO 2 1HB PRO 2 5.425 12.921 -1.374
15 1HG PRO 2 2HG PRO 2 7.130 13.895 0.463
16 2HG PRO 2 1HG PRO 2 5.786 14.859 -0.176
17 1HD PRO 2 2HD PRO 2 5.998 13.400 2.431
18 2HD PRO 2 1HD PRO 2 5.324 15.009 2.093
19 H ARG 3 H ARG 3 2.671 10.840 -0.903
20 HA ARG 3 HA ARG 3 3.764 8.471 0.235
21 1HB ARG 3 2HB ARG 3 1.728 7.721 1.420
22 2HB ARG 3 1HB ARG 3 2.452 9.135 2.173
23 1HG ARG 3 2HG ARG 3 0.772 10.566 1.205
24 2HG ARG 3 1HG ARG 3 0.093 9.212 0.302
25 1HD ARG 3 2HD ARG 3 0.202 9.445 3.307
26 2HD ARG 3 1HD ARG 3 -1.222 9.728 2.305
27 HE ARG 3 HE ARG 3 -0.202 7.157 1.780
28 1HH1 ARG 3 1HH1 ARG 3 -1.865 8.941 4.284
29 2HH1 ARG 3 2HH1 ARG 3 -2.656 7.549 4.940
30 1HH2 ARG 3 1HH2 ARG 3 -1.242 5.303 2.641
31 2HH2 ARG 3 2HH2 ARG 3 -2.302 5.468 4.000
32 HA PRO 4 HA PRO 4 2.131 7.046 -3.611
33 1HB PRO 4 2HB PRO 4 2.228 4.341 -2.439
34 2HB PRO 4 1HB PRO 4 3.090 4.990 -3.838
35 1HG PRO 4 2HG PRO 4 4.353 4.465 -1.531
36 2HG PRO 4 1HG PRO 4 4.808 5.843 -2.551
37 1HD PRO 4 2HD PRO 4 3.172 5.798 -0.041
38 2HD PRO 4 1HD PRO 4 4.413 6.960 -0.558
39 H ARG 5 H ARG 5 0.120 6.818 -4.369
40 HA ARG 5 HA ARG 5 -2.098 6.588 -2.615
41 1HB ARG 5 2HB ARG 5 -1.950 6.466 -5.632
42 2HB ARG 5 1HB ARG 5 -3.451 6.523 -4.717
43 1HG ARG 5 2HG ARG 5 -2.762 8.693 -3.775
44 2HG ARG 5 1HG ARG 5 -1.307 8.638 -4.770
45 1HD ARG 5 2HD ARG 5 -2.691 8.590 -6.788
46 2HD ARG 5 1HD ARG 5 -4.147 8.633 -5.795
47 HE ARG 5 HE ARG 5 -2.537 10.844 -6.559
48 1HH1 ARG 5 1HH1 ARG 5 -4.545 9.646 -3.948
49 2HH1 ARG 5 2HH1 ARG 5 -4.865 11.219 -3.299
50 1HH2 ARG 5 1HH2 ARG 5 -2.958 12.924 -5.704
51 2HH2 ARG 5 2HH2 ARG 5 -3.960 13.088 -4.300
52 H ILE 6 H ILE 6 -0.223 4.330 -4.397
53 HA ILE 6 HA ILE 6 -1.988 2.179 -4.686
54 HB ILE 6 HB ILE 6 0.959 2.005 -4.087
55 1HG1 ILE 6 2HG1 ILE 6 0.574 3.570 -5.935
56 2HG1 ILE 6 1HG1 ILE 6 1.319 2.087 -6.522
57 1HG2 ILE 6 1HG2 ILE 6 -0.411 -0.105 -4.029
58 2HG2 ILE 6 2HG2 ILE 6 0.936 -0.105 -5.169
59 3HG2 ILE 6 3HG2 ILE 6 -0.712 0.137 -5.750
60 1HD1 ILE 6 1HD1 ILE 6 -1.567 2.894 -6.777
61 2HD1 ILE 6 2HD1 ILE 6 -0.930 1.315 -7.237
62 3HD1 ILE 6 3HD1 ILE 6 -0.370 2.768 -8.065
63 H CYS 7 H CYS 7 -0.164 3.336 -1.950
64 HA CYS 7 HA CYS 7 -0.172 1.162 -0.252
65 1HB CYS 7 2HB CYS 7 -0.489 4.096 0.374
66 2HB CYS 7 1HB CYS 7 -0.194 2.863 1.588
67 H ASN 8 H ASN 8 -2.772 3.256 -1.158
68 HA ASN 8 HA ASN 8 -4.588 2.776 0.931
69 1HB ASN 8 2HB ASN 8 -4.849 4.483 -0.893
70 2HB ASN 8 1HB ASN 8 -5.291 3.178 -1.980
71 1HD2 ASN 8 1HD2 ASN 8 -7.388 3.101 -2.298
72 2HD2 ASN 8 2HD2 ASN 8 -8.610 3.399 -1.114
73 H LEU 9 H LEU 9 -4.365 1.205 -2.239
74 HA LEU 9 HA LEU 9 -6.244 -0.822 -1.576
75 1HB LEU 9 2HB LEU 9 -5.564 -1.902 -3.673
76 2HB LEU 9 1HB LEU 9 -5.941 -0.207 -3.887
77 HG LEU 9 HG LEU 9 -3.296 0.018 -3.606
78 1HD1 LEU 9 1HD1 LEU 9 -3.439 -2.562 -5.107
79 2HD1 LEU 9 2HD1 LEU 9 -3.257 -2.563 -3.353
80 3HD1 LEU 9 3HD1 LEU 9 -2.049 -1.770 -4.365
81 1HD2 LEU 9 1HD2 LEU 9 -5.005 0.489 -5.563
82 2HD2 LEU 9 2HD2 LEU 9 -4.204 -0.913 -6.275
83 3HD2 LEU 9 3HD2 LEU 9 -3.262 0.511 -5.830
84 H ALA 10 H ALA 10 -2.816 -0.481 -1.264
85 HA ALA 10 HA ALA 10 -2.093 -3.169 -0.896
86 1HB ALA 10 1HB ALA 10 -0.289 -1.939 0.653
87 2HB ALA 10 2HB ALA 10 -0.888 -0.548 -0.251
88 3HB ALA 10 3HB ALA 10 -0.210 -1.931 -1.109
89 H CYS 11 H CYS 11 -3.079 -0.688 1.462
90 HA CYS 11 HA CYS 11 -2.868 -2.387 3.728
91 1HB CYS 11 2HB CYS 11 -4.626 0.059 3.360
92 2HB CYS 11 1HB CYS 11 -4.228 -0.695 4.894
93 H ARG 12 H ARG 12 -5.520 -1.532 1.556
94 HA ARG 12 HA ARG 12 -7.612 -2.759 2.932
95 1HB ARG 12 2HB ARG 12 -7.988 -1.209 1.094
96 2HB ARG 12 1HB ARG 12 -7.274 -2.347 -0.039
97 1HG ARG 12 2HG ARG 12 -9.704 -2.357 -0.176
98 2HG ARG 12 1HG ARG 12 -9.086 -3.919 0.367
99 1HD ARG 12 2HD ARG 12 -9.554 -3.215 2.710
100 2HD ARG 12 1HD ARG 12 -10.309 -1.754 2.076
101 HE ARG 12 HE ARG 12 -11.453 -4.358 2.218
102 1HH1 ARG 12 1HH1 ARG 12 -11.467 -1.400 0.343
103 2HH1 ARG 12 2HH1 ARG 12 -13.034 -1.683 -0.336
104 1HH2 ARG 12 1HH2 ARG 12 -13.526 -4.736 1.326
105 2HH2 ARG 12 2HH2 ARG 12 -14.211 -3.585 0.227
106 H ALA 13 H ALA 13 -5.467 -4.099 0.445
107 HA ALA 13 HA ALA 13 -6.743 -6.695 0.686
108 1HB ALA 13 1HB ALA 13 -5.644 -7.307 -1.238
109 2HB ALA 13 2HB ALA 13 -4.255 -6.275 -0.900
110 3HB ALA 13 3HB ALA 13 -5.766 -5.562 -1.466
111 H GLY 14 H GLY 14 -4.643 -5.095 2.514
112 1HA GLY 14 2HA GLY 14 -3.180 -5.693 4.179
113 2HA GLY 14 1HA GLY 14 -3.772 -7.325 3.981
114 H ILE 15 H ILE 15 -2.481 -5.820 1.234
115 HA ILE 15 HA ILE 15 -0.245 -7.674 1.263
116 HB ILE 15 HB ILE 15 0.164 -6.825 -1.074
117 1HG1 ILE 15 2HG1 ILE 15 -2.485 -5.441 -0.590
118 2HG1 ILE 15 1HG1 ILE 15 -0.937 -4.646 -0.849
119 1HG2 ILE 15 1HG2 ILE 15 -2.639 -7.825 -0.912
120 2HG2 ILE 15 2HG2 ILE 15 -1.328 -8.820 -0.282
121 3HG2 ILE 15 3HG2 ILE 15 -1.323 -8.325 -1.974
122 1HD1 ILE 15 1HD1 ILE 15 -2.327 -4.598 -2.845
123 2HD1 ILE 15 2HD1 ILE 15 -2.386 -6.361 -2.853
124 3HD1 ILE 15 3HD1 ILE 15 -0.853 -5.529 -3.112
125 H GLY 16 H GLY 16 -0.524 -5.226 2.934
126 1HA GLY 16 2HA GLY 16 1.329 -3.263 2.101
127 2HA GLY 16 1HA GLY 16 0.859 -3.584 3.766
128 H HIS 17 H HIS 17 1.749 -6.358 3.663
129 HA HIS 17 HA HIS 17 4.480 -5.909 4.383
130 1HB HIS 17 2HB HIS 17 2.823 -8.427 4.211
131 2HB HIS 17 1HB HIS 17 4.509 -8.423 4.714
132 HD1 HIS 17 1HD HIS 17 2.899 -9.511 6.823
133 HD2 HIS 17 2HD HIS 17 3.163 -5.390 6.337
134 HE1 HIS 17 1HE HIS 17 2.255 -8.527 9.045
135 H LYS 18 H LYS 18 2.822 -6.948 1.572
136 HA LYS 18 HA LYS 18 5.117 -8.162 0.324
137 1HB LYS 18 2HB LYS 18 2.946 -9.062 -0.200
138 2HB LYS 18 1HB LYS 18 2.356 -7.481 -0.692
139 1HG LYS 18 2HG LYS 18 3.920 -7.494 -2.579
140 2HG LYS 18 1HG LYS 18 4.474 -9.098 -2.094
141 1HD LYS 18 2HD LYS 18 2.293 -10.030 -2.494
142 2HD LYS 18 1HD LYS 18 1.623 -8.427 -2.807
143 1HE LYS 18 2HE LYS 18 2.052 -9.685 -4.878
144 2HE LYS 18 1HE LYS 18 2.998 -8.200 -4.784
145 1HZ LYS 18 1HZ LYS 18 4.936 -9.416 -4.255
146 2HZ LYS 18 2HZ LYS 18 4.228 -10.215 -5.566
147 3HZ LYS 18 3HZ LYS 18 4.073 -10.850 -4.006
148 H TYR 19 H TYR 19 3.452 -5.069 0.230
149 HA TYR 19 HA TYR 19 5.108 -4.150 -1.980
150 1HB TYR 19 2HB TYR 19 2.806 -2.937 -0.472
151 2HB TYR 19 1HB TYR 19 3.777 -1.982 -1.586
152 HD1 TYR 19 1HD TYR 19 2.841 -5.542 -2.046
153 HD2 TYR 19 2HD TYR 19 2.144 -1.519 -3.235
154 HE1 TYR 19 1HE TYR 19 1.482 -6.343 -3.926
155 HE2 TYR 19 2HE TYR 19 0.779 -2.311 -5.121
156 HH TYR 19 HH TYR 19 -0.218 -4.094 -6.056
157 HA PRO 20 HA PRO 20 8.228 -2.787 0.965
158 1HB PRO 20 2HB PRO 20 9.380 -1.658 -1.522
159 2HB PRO 20 1HB PRO 20 10.118 -2.724 -0.323
160 1HG PRO 20 2HG PRO 20 9.390 -3.650 -2.716
161 2HG PRO 20 1HG PRO 20 9.187 -4.632 -1.252
162 1HD PRO 20 2HD PRO 20 7.143 -3.088 -2.799
163 2HD PRO 20 1HD PRO 20 7.007 -4.683 -2.030
164 H PHE 21 H PHE 21 7.063 -0.724 -1.689
165 HA PHE 21 HA PHE 21 7.699 1.693 -0.272
166 1HB PHE 21 2HB PHE 21 6.476 2.780 -2.216
167 2HB PHE 21 1HB PHE 21 7.905 1.840 -2.620
168 HD1 PHE 21 1HD PHE 21 4.197 1.476 -2.370
169 HD2 PHE 21 2HD PHE 21 7.789 0.320 -4.336
170 HE1 PHE 21 1HE PHE 21 2.885 0.171 -3.990
171 HE2 PHE 21 2HE PHE 21 6.482 -0.987 -5.959
172 HZ PHE 21 HZ PHE 21 4.028 -1.061 -5.788
173 H CYS 22 H CYS 22 5.362 -0.486 0.251
174 HA CYS 22 HA CYS 22 3.664 1.473 1.573
175 1HB CYS 22 2HB CYS 22 2.641 -0.494 -0.487
176 2HB CYS 22 1HB CYS 22 1.601 0.253 0.718
177 H HIS 23 H HIS 23 5.312 0.139 2.950
178 HA HIS 23 HA HIS 23 4.703 -2.526 3.646
179 1HB HIS 23 2HB HIS 23 6.896 -1.239 3.988
180 2HB HIS 23 1HB HIS 23 6.145 -0.583 5.437
181 HD1 HIS 23 1HD HIS 23 8.404 -1.979 6.339
182 HD2 HIS 23 2HD HIS 23 5.039 -4.152 5.231
183 HE1 HIS 23 1HE HIS 23 8.670 -4.229 7.427
184 H CYS 24 H CYS 24 2.337 -1.561 3.700
185 HA CYS 24 HA CYS 24 1.433 -0.600 6.259
186 1HB CYS 24 2HB CYS 24 0.422 -0.194 3.920
187 2HB CYS 24 1HB CYS 24 -0.273 -1.800 4.094
188 H ARG 25 H ARG 25 -0.782 -1.968 6.769
189 HA ARG 25 HA ARG 25 0.165 -4.281 8.140
190 1HB ARG 25 2HB ARG 25 -2.665 -3.297 7.724
191 2HB ARG 25 1HB ARG 25 -2.172 -4.530 8.877
192 1HG ARG 25 2HG ARG 25 -0.834 -2.897 10.081
193 2HG ARG 25 1HG ARG 25 -1.270 -1.657 8.906
194 1HD ARG 25 2HD ARG 25 -3.628 -1.904 9.529
195 2HD ARG 25 1HD ARG 25 -3.184 -3.136 10.710
196 HE ARG 25 HE ARG 25 -2.620 -1.473 12.153
197 1HH1 ARG 25 1HH1 ARG 25 -2.636 -0.115 8.922
198 2HH1 ARG 25 2HH1 ARG 25 -2.268 1.490 9.454
199 1HH2 ARG 25 1HH2 ARG 25 -2.134 0.648 12.859
200 2HH2 ARG 25 2HH2 ARG 25 -1.984 1.926 11.699
201 1HN NH2 26 1H ARG 25 -1.175 -6.374 7.992
202 2HN NH2 26 2H ARG 25 -1.653 -6.931 6.427
Start of MODEL 13
1 1H PHE 1 1HT PHE 1 3.502 17.218 0.479
2 2H PHE 1 2HT PHE 1 2.613 16.897 1.882
3 3H PHE 1 3HT PHE 1 2.192 16.147 0.425
4 HA PHE 1 HA PHE 1 4.914 15.685 1.225
5 1HB PHE 1 2HB PHE 1 3.790 15.747 3.423
6 2HB PHE 1 1HB PHE 1 2.590 14.597 2.844
7 HD1 PHE 1 1HD PHE 1 6.319 14.850 2.993
8 HD2 PHE 1 2HD PHE 1 2.852 12.448 3.569
9 HE1 PHE 1 1HE PHE 1 7.738 12.990 3.754
10 HE2 PHE 1 2HE PHE 1 4.265 10.585 4.331
11 HZ PHE 1 HZ PHE 1 6.712 10.854 4.425
12 HA PRO 2 HA PRO 2 3.824 12.800 -2.011
13 1HB PRO 2 2HB PRO 2 6.188 11.454 -2.086
14 2HB PRO 2 1HB PRO 2 5.962 13.048 -2.813
15 1HG PRO 2 2HG PRO 2 7.197 12.318 -0.190
16 2HG PRO 2 1HG PRO 2 7.726 13.519 -1.382
17 1HD PRO 2 2HD PRO 2 6.380 14.184 0.877
18 2HD PRO 2 1HD PRO 2 6.229 15.101 -0.635
19 H ARG 3 H ARG 3 2.874 10.842 -1.987
20 HA ARG 3 HA ARG 3 3.722 8.725 -0.251
21 1HB ARG 3 2HB ARG 3 2.279 10.313 1.180
22 2HB ARG 3 1HB ARG 3 0.924 9.762 0.207
23 1HG ARG 3 2HG ARG 3 2.640 7.710 1.494
24 2HG ARG 3 1HG ARG 3 1.544 8.640 2.513
25 1HD ARG 3 2HD ARG 3 0.718 7.117 0.045
26 2HD ARG 3 1HD ARG 3 0.583 6.502 1.692
27 HE ARG 3 HE ARG 3 -0.709 9.024 1.412
28 1HH1 ARG 3 1HH1 ARG 3 -1.086 5.622 0.719
29 2HH1 ARG 3 2HH1 ARG 3 -2.824 5.665 0.774
30 1HH2 ARG 3 1HH2 ARG 3 -3.010 9.093 1.461
31 2HH2 ARG 3 2HH2 ARG 3 -3.911 7.634 1.189
32 HA PRO 4 HA PRO 4 2.210 6.726 -3.914
33 1HB PRO 4 2HB PRO 4 2.305 4.296 -2.224
34 2HB PRO 4 1HB PRO 4 3.095 4.626 -3.769
35 1HG PRO 4 2HG PRO 4 4.490 4.589 -1.493
36 2HG PRO 4 1HG PRO 4 4.859 5.756 -2.777
37 1HD PRO 4 2HD PRO 4 3.376 6.164 -0.211
38 2HD PRO 4 1HD PRO 4 4.539 7.232 -1.023
39 H ARG 5 H ARG 5 0.201 6.622 -4.599
40 HA ARG 5 HA ARG 5 -2.036 6.493 -2.851
41 1HB ARG 5 2HB ARG 5 -3.389 6.482 -4.914
42 2HB ARG 5 1HB ARG 5 -2.166 7.744 -4.933
43 1HG ARG 5 2HG ARG 5 -0.755 6.343 -6.367
44 2HG ARG 5 1HG ARG 5 -2.007 5.101 -6.366
45 1HD ARG 5 2HD ARG 5 -2.346 7.922 -7.383
46 2HD ARG 5 1HD ARG 5 -2.058 6.507 -8.393
47 HE ARG 5 HE ARG 5 -4.307 5.995 -6.822
48 1HH1 ARG 5 1HH1 ARG 5 -3.333 8.148 -9.402
49 2HH1 ARG 5 2HH1 ARG 5 -4.930 8.307 -10.055
50 1HH2 ARG 5 1HH2 ARG 5 -6.429 6.199 -7.680
51 2HH2 ARG 5 2HH2 ARG 5 -6.697 7.196 -9.071
52 H ILE 6 H ILE 6 -0.112 4.154 -4.386
53 HA ILE 6 HA ILE 6 -1.939 2.030 -4.690
54 HB ILE 6 HB ILE 6 0.996 1.795 -4.057
55 1HG1 ILE 6 2HG1 ILE 6 -0.311 2.128 -6.770
56 2HG1 ILE 6 1HG1 ILE 6 0.597 3.380 -5.928
57 1HG2 ILE 6 1HG2 ILE 6 -0.288 -0.053 -5.949
58 2HG2 ILE 6 2HG2 ILE 6 -0.847 -0.178 -4.281
59 3HG2 ILE 6 3HG2 ILE 6 0.866 -0.373 -4.654
60 1HD1 ILE 6 1HD1 ILE 6 2.084 0.897 -6.231
61 2HD1 ILE 6 2HD1 ILE 6 2.549 2.557 -6.606
62 3HD1 ILE 6 3HD1 ILE 6 1.604 1.621 -7.765
63 H CYS 7 H CYS 7 -0.068 3.221 -1.997
64 HA CYS 7 HA CYS 7 -0.144 1.111 -0.225
65 1HB CYS 7 2HB CYS 7 -0.420 4.064 0.339
66 2HB CYS 7 1HB CYS 7 -0.095 2.848 1.559
67 H ASN 8 H ASN 8 -2.684 3.273 -1.174
68 HA ASN 8 HA ASN 8 -4.485 2.853 0.946
69 1HB ASN 8 2HB ASN 8 -5.092 3.455 -1.957
70 2HB ASN 8 1HB ASN 8 -6.259 3.550 -0.644
71 1HD2 ASN 8 1HD2 ASN 8 -4.743 5.461 -2.577
72 2HD2 ASN 8 2HD2 ASN 8 -4.338 6.785 -1.543
73 H LEU 9 H LEU 9 -4.238 1.183 -2.191
74 HA LEU 9 HA LEU 9 -6.251 -0.717 -1.471
75 1HB LEU 9 2HB LEU 9 -5.643 -1.870 -3.558
76 2HB LEU 9 1HB LEU 9 -5.986 -0.170 -3.799
77 HG LEU 9 HG LEU 9 -3.326 -0.011 -3.574
78 1HD1 LEU 9 1HD1 LEU 9 -2.144 -1.845 -4.298
79 2HD1 LEU 9 2HD1 LEU 9 -3.551 -2.588 -5.058
80 3HD1 LEU 9 3HD1 LEU 9 -3.386 -2.605 -3.302
81 1HD2 LEU 9 1HD2 LEU 9 -3.423 -0.509 -6.181
82 2HD2 LEU 9 2HD2 LEU 9 -4.134 0.939 -5.469
83 3HD2 LEU 9 3HD2 LEU 9 -5.156 -0.443 -5.863
84 H ALA 10 H ALA 10 -2.812 -0.496 -1.229
85 HA ALA 10 HA ALA 10 -2.148 -3.185 -0.848
86 1HB ALA 10 1HB ALA 10 -0.473 -1.447 -1.208
87 2HB ALA 10 2HB ALA 10 -0.132 -2.362 0.260
88 3HB ALA 10 3HB ALA 10 -0.844 -0.753 0.369
89 H CYS 11 H CYS 11 -3.106 -0.697 1.512
90 HA CYS 11 HA CYS 11 -2.868 -2.361 3.791
91 1HB CYS 11 2HB CYS 11 -4.736 -0.002 3.414
92 2HB CYS 11 1HB CYS 11 -4.257 -0.704 4.949
93 H ARG 12 H ARG 12 -5.567 -1.587 1.650
94 HA ARG 12 HA ARG 12 -7.606 -2.881 3.044
95 1HB ARG 12 2HB ARG 12 -8.019 -1.311 1.217
96 2HB ARG 12 1HB ARG 12 -7.327 -2.447 0.068
97 1HG ARG 12 2HG ARG 12 -9.127 -4.038 0.584
98 2HG ARG 12 1HG ARG 12 -9.832 -2.858 1.690
99 1HD ARG 12 2HD ARG 12 -9.402 -2.458 -1.268
100 2HD ARG 12 1HD ARG 12 -10.940 -2.850 -0.502
101 HE ARG 12 HE ARG 12 -9.919 -0.532 0.694
102 1HH1 ARG 12 1HH1 ARG 12 -11.194 -1.595 -2.382
103 2HH1 ARG 12 2HH1 ARG 12 -11.820 -0.039 -2.815
104 1HH2 ARG 12 1HH2 ARG 12 -10.741 1.538 0.132
105 2HH2 ARG 12 2HH2 ARG 12 -11.562 1.750 -1.378
106 H ALA 13 H ALA 13 -5.550 -4.132 0.427
107 HA ALA 13 HA ALA 13 -6.746 -6.756 0.671
108 1HB ALA 13 1HB ALA 13 -5.917 -5.623 -1.494
109 2HB ALA 13 2HB ALA 13 -5.607 -7.343 -1.263
110 3HB ALA 13 3HB ALA 13 -4.322 -6.170 -0.978
111 H GLY 14 H GLY 14 -4.653 -5.192 2.519
112 1HA GLY 14 2HA GLY 14 -3.123 -5.816 4.113
113 2HA GLY 14 1HA GLY 14 -3.715 -7.444 3.891
114 H ILE 15 H ILE 15 -2.475 -5.815 1.180
115 HA ILE 15 HA ILE 15 -0.226 -7.666 1.118
116 HB ILE 15 HB ILE 15 0.119 -6.799 -1.219
117 1HG1 ILE 15 2HG1 ILE 15 -2.538 -5.449 -0.686
118 2HG1 ILE 15 1HG1 ILE 15 -0.999 -4.629 -0.929
119 1HG2 ILE 15 1HG2 ILE 15 -2.237 -7.814 -1.952
120 2HG2 ILE 15 2HG2 ILE 15 -2.239 -8.307 -0.260
121 3HG2 ILE 15 3HG2 ILE 15 -0.923 -8.808 -1.324
122 1HD1 ILE 15 1HD1 ILE 15 -2.742 -6.012 -2.906
123 2HD1 ILE 15 2HD1 ILE 15 -1.008 -5.891 -3.205
124 3HD1 ILE 15 3HD1 ILE 15 -1.970 -4.428 -2.992
125 H GLY 16 H GLY 16 -0.604 -5.160 2.744
126 1HA GLY 16 2HA GLY 16 1.232 -3.194 1.907
127 2HA GLY 16 1HA GLY 16 0.758 -3.497 3.575
128 H HIS 17 H HIS 17 1.672 -6.040 3.956
129 HA HIS 17 HA HIS 17 4.414 -5.589 4.443
130 1HB HIS 17 2HB HIS 17 4.481 -7.951 5.204
131 2HB HIS 17 1HB HIS 17 3.182 -7.023 5.936
132 HD1 HIS 17 1HD HIS 17 2.581 -9.756 6.311
133 HD2 HIS 17 2HD HIS 17 1.837 -8.041 2.598
134 HE1 HIS 17 1HE HIS 17 0.909 -11.264 5.194
135 H LYS 18 H LYS 18 2.816 -6.617 1.653
136 HA LYS 18 HA LYS 18 5.116 -8.061 0.616
137 1HB LYS 18 2HB LYS 18 2.322 -7.625 -0.375
138 2HB LYS 18 1HB LYS 18 3.580 -8.161 -1.479
139 1HG LYS 18 2HG LYS 18 2.651 -9.571 1.013
140 2HG LYS 18 1HG LYS 18 2.369 -10.066 -0.658
141 1HD LYS 18 2HD LYS 18 5.053 -9.878 0.712
142 2HD LYS 18 1HD LYS 18 4.179 -11.365 0.344
143 1HE LYS 18 2HE LYS 18 4.404 -10.985 -2.013
144 2HE LYS 18 1HE LYS 18 5.073 -9.377 -1.740
145 1HZ LYS 18 1HZ LYS 18 6.757 -11.075 -2.283
146 2HZ LYS 18 2HZ LYS 18 6.371 -11.895 -0.855
147 3HZ LYS 18 3HZ LYS 18 7.025 -10.337 -0.785
148 H TYR 19 H TYR 19 3.469 -4.990 0.234
149 HA TYR 19 HA TYR 19 5.170 -4.251 -2.010
150 1HB TYR 19 2HB TYR 19 2.893 -2.895 -0.587
151 2HB TYR 19 1HB TYR 19 3.900 -2.021 -1.735
152 HD1 TYR 19 1HD TYR 19 2.737 -5.554 -1.963
153 HD2 TYR 19 2HD TYR 19 2.415 -1.598 -3.489
154 HE1 TYR 19 1HE TYR 19 1.360 -6.388 -3.818
155 HE2 TYR 19 2HE TYR 19 1.036 -2.421 -5.347
156 HH TYR 19 HH TYR 19 0.896 -5.050 -6.511
157 HA PRO 20 HA PRO 20 8.356 -2.834 0.809
158 1HB PRO 20 2HB PRO 20 9.783 -1.559 -1.210
159 2HB PRO 20 1HB PRO 20 9.977 -3.244 -0.720
160 1HG PRO 20 2HG PRO 20 8.428 -2.096 -2.996
161 2HG PRO 20 1HG PRO 20 9.381 -3.590 -2.924
162 1HD PRO 20 2HD PRO 20 6.703 -3.631 -2.813
163 2HD PRO 20 1HD PRO 20 7.687 -4.764 -1.861
164 H PHE 21 H PHE 21 7.128 -0.673 -1.746
165 HA PHE 21 HA PHE 21 7.739 1.674 -0.210
166 1HB PHE 21 2HB PHE 21 6.504 2.834 -2.119
167 2HB PHE 21 1HB PHE 21 7.977 1.965 -2.527
168 HD1 PHE 21 1HD PHE 21 4.297 1.317 -2.306
169 HD2 PHE 21 2HD PHE 21 7.940 0.666 -4.404
170 HE1 PHE 21 1HE PHE 21 3.078 0.045 -4.019
171 HE2 PHE 21 2HE PHE 21 6.727 -0.609 -6.122
172 HZ PHE 21 HZ PHE 21 4.292 -0.920 -5.932
173 H CYS 22 H CYS 22 5.390 -0.521 0.213
174 HA CYS 22 HA CYS 22 3.673 1.420 1.548
175 1HB CYS 22 2HB CYS 22 2.672 -0.531 -0.540
176 2HB CYS 22 1HB CYS 22 1.623 0.229 0.649
177 H HIS 23 H HIS 23 5.298 0.009 2.960
178 HA HIS 23 HA HIS 23 4.528 -2.639 3.614
179 1HB HIS 23 2HB HIS 23 6.451 -0.661 4.682
180 2HB HIS 23 1HB HIS 23 5.919 -1.916 5.798
181 HD1 HIS 23 1HD HIS 23 8.767 -2.117 5.213
182 HD2 HIS 23 2HD HIS 23 5.946 -3.782 2.657
183 HE1 HIS 23 1HE HIS 23 9.993 -3.890 3.921
184 H CYS 24 H CYS 24 2.239 -1.529 3.653
185 HA CYS 24 HA CYS 24 1.390 -0.618 6.263
186 1HB CYS 24 2HB CYS 24 0.464 0.145 4.026
187 2HB CYS 24 1HB CYS 24 -0.299 -1.434 3.899
188 H ARG 25 H ARG 25 -0.824 -1.777 6.911
189 HA ARG 25 HA ARG 25 -0.053 -4.440 7.689
190 1HB ARG 25 2HB ARG 25 -2.582 -2.871 8.220
191 2HB ARG 25 1HB ARG 25 -2.221 -4.445 8.916
192 1HG ARG 25 2HG ARG 25 -0.221 -3.472 9.989
193 2HG ARG 25 1HG ARG 25 -0.685 -1.892 9.355
194 1HD ARG 25 2HD ARG 25 -2.356 -3.592 11.204
195 2HD ARG 25 1HD ARG 25 -1.376 -2.214 11.699
196 HE ARG 25 HE ARG 25 -3.107 -1.342 9.697
197 1HH1 ARG 25 1HH1 ARG 25 -3.290 -2.574 12.964
198 2HH1 ARG 25 2HH1 ARG 25 -4.738 -1.708 13.353
199 1HH2 ARG 25 1HH2 ARG 25 -5.028 -0.187 10.201
200 2HH2 ARG 25 2HH2 ARG 25 -5.730 -0.347 11.776
201 1HN NH2 26 1H ARG 25 -3.458 -5.038 7.061
202 2HN NH2 26 2H ARG 25 -3.437 -4.070 5.630
Start of MODEL 14
1 1H PHE 1 1HT PHE 1 3.644 15.797 3.877
2 2H PHE 1 2HT PHE 1 4.115 14.666 5.042
3 3H PHE 1 3HT PHE 1 2.783 14.351 4.051
4 HA PHE 1 HA PHE 1 5.158 14.894 2.559
5 1HB PHE 1 2HB PHE 1 5.066 12.638 4.564
6 2HB PHE 1 1HB PHE 1 6.051 12.539 3.110
7 HD1 PHE 1 1HD PHE 1 5.413 15.160 5.711
8 HD2 PHE 1 2HD PHE 1 8.264 12.894 3.510
9 HE1 PHE 1 1HE PHE 1 7.237 16.351 6.854
10 HE2 PHE 1 2HE PHE 1 10.093 14.081 4.650
11 HZ PHE 1 HZ PHE 1 9.581 15.811 6.325
12 HA PRO 2 HA PRO 2 2.486 12.862 -0.310
13 1HB PRO 2 2HB PRO 2 4.324 11.970 -2.121
14 2HB PRO 2 1HB PRO 2 3.807 13.657 -2.009
15 1HG PRO 2 2HG PRO 2 6.262 12.350 -0.906
16 2HG PRO 2 1HG PRO 2 6.095 13.920 -1.712
17 1HD PRO 2 2HD PRO 2 6.285 13.698 0.969
18 2HD PRO 2 1HD PRO 2 5.303 14.957 0.193
19 H ARG 3 H ARG 3 1.747 10.823 -0.875
20 HA ARG 3 HA ARG 3 3.330 8.486 -0.207
21 1HB ARG 3 2HB ARG 3 1.488 7.506 1.157
22 2HB ARG 3 1HB ARG 3 2.258 8.893 1.911
23 1HG ARG 3 2HG ARG 3 0.376 10.302 1.093
24 2HG ARG 3 1HG ARG 3 -0.413 8.830 0.525
25 1HD ARG 3 2HD ARG 3 0.430 9.323 3.378
26 2HD ARG 3 1HD ARG 3 -1.195 9.608 2.759
27 HE ARG 3 HE ARG 3 0.003 7.077 3.417
28 1HH1 ARG 3 1HH1 ARG 3 -2.516 8.666 1.576
29 2HH1 ARG 3 2HH1 ARG 3 -3.487 7.235 1.427
30 1HH2 ARG 3 1HH2 ARG 3 -1.288 5.185 3.212
31 2HH2 ARG 3 2HH2 ARG 3 -2.792 5.269 2.350
32 HA PRO 4 HA PRO 4 1.508 7.088 -3.963
33 1HB PRO 4 2HB PRO 4 1.813 4.381 -2.778
34 2HB PRO 4 1HB PRO 4 2.432 5.019 -4.305
35 1HG PRO 4 2HG PRO 4 4.060 4.631 -2.230
36 2HG PRO 4 1HG PRO 4 4.255 6.036 -3.294
37 1HD PRO 4 2HD PRO 4 3.052 5.878 -0.561
38 2HD PRO 4 1HD PRO 4 4.076 7.143 -1.271
39 H ARG 5 H ARG 5 -0.533 6.864 -4.584
40 HA ARG 5 HA ARG 5 -2.643 6.531 -2.739
41 1HB ARG 5 2HB ARG 5 -2.666 6.404 -5.761
42 2HB ARG 5 1HB ARG 5 -4.109 6.451 -4.755
43 1HG ARG 5 2HG ARG 5 -3.292 8.632 -3.839
44 2HG ARG 5 1HG ARG 5 -2.016 8.591 -5.057
45 1HD ARG 5 2HD ARG 5 -4.980 8.531 -5.624
46 2HD ARG 5 1HD ARG 5 -3.948 9.955 -5.750
47 HE ARG 5 HE ARG 5 -2.857 7.934 -7.349
48 1HH1 ARG 5 1HH1 ARG 5 -5.686 9.984 -7.225
49 2HH1 ARG 5 2HH1 ARG 5 -5.917 10.000 -8.942
50 1HH2 ARG 5 1HH2 ARG 5 -3.153 7.947 -9.629
51 2HH2 ARG 5 2HH2 ARG 5 -4.471 8.837 -10.312
52 H ILE 6 H ILE 6 -0.801 4.315 -4.609
53 HA ILE 6 HA ILE 6 -2.580 2.137 -4.735
54 HB ILE 6 HB ILE 6 0.423 2.006 -4.519
55 1HG1 ILE 6 2HG1 ILE 6 -1.274 2.292 -7.010
56 2HG1 ILE 6 1HG1 ILE 6 -0.303 3.575 -6.298
57 1HG2 ILE 6 1HG2 ILE 6 -1.430 -0.031 -4.579
58 2HG2 ILE 6 2HG2 ILE 6 0.278 -0.175 -4.989
59 3HG2 ILE 6 3HG2 ILE 6 -0.913 0.094 -6.261
60 1HD1 ILE 6 1HD1 ILE 6 0.511 1.928 -8.290
61 2HD1 ILE 6 2HD1 ILE 6 1.180 1.121 -6.873
62 3HD1 ILE 6 3HD1 ILE 6 1.587 2.804 -7.203
63 H CYS 7 H CYS 7 -0.370 3.271 -2.275
64 HA CYS 7 HA CYS 7 -0.251 1.066 -0.595
65 1HB CYS 7 2HB CYS 7 -0.270 4.010 0.076
66 2HB CYS 7 1HB CYS 7 0.136 2.740 1.219
67 H ASN 8 H ASN 8 -2.796 3.362 -1.097
68 HA ASN 8 HA ASN 8 -4.311 2.847 1.244
69 1HB ASN 8 2HB ASN 8 -5.258 3.688 -1.507
70 2HB ASN 8 1HB ASN 8 -6.239 3.723 -0.052
71 1HD2 ASN 8 1HD2 ASN 8 -4.806 5.676 -2.054
72 2HD2 ASN 8 2HD2 ASN 8 -4.251 6.928 -0.998
73 H LEU 9 H LEU 9 -4.320 1.432 -1.963
74 HA LEU 9 HA LEU 9 -6.366 -0.485 -1.447
75 1HB LEU 9 2HB LEU 9 -4.267 -0.967 -3.506
76 2HB LEU 9 1HB LEU 9 -5.997 -1.235 -3.600
77 HG LEU 9 HG LEU 9 -4.690 1.480 -3.666
78 1HD1 LEU 9 1HD1 LEU 9 -5.143 -0.521 -5.753
79 2HD1 LEU 9 2HD1 LEU 9 -4.089 0.892 -5.743
80 3HD1 LEU 9 3HD1 LEU 9 -5.799 1.072 -6.131
81 1HD2 LEU 9 1HD2 LEU 9 -6.778 2.130 -3.173
82 2HD2 LEU 9 2HD2 LEU 9 -7.458 0.541 -3.527
83 3HD2 LEU 9 3HD2 LEU 9 -7.157 1.684 -4.836
84 H ALA 10 H ALA 10 -2.895 -0.372 -1.321
85 HA ALA 10 HA ALA 10 -2.248 -3.042 -0.979
86 1HB ALA 10 1HB ALA 10 -0.625 -1.325 0.700
87 2HB ALA 10 2HB ALA 10 -0.872 -0.650 -0.910
88 3HB ALA 10 3HB ALA 10 -0.180 -2.261 -0.728
89 H CYS 11 H CYS 11 -3.084 -0.657 1.550
90 HA CYS 11 HA CYS 11 -2.757 -2.421 3.731
91 1HB CYS 11 2HB CYS 11 -4.871 -0.270 3.692
92 2HB CYS 11 1HB CYS 11 -3.932 -0.847 5.055
93 H ARG 12 H ARG 12 -5.576 -1.609 1.760
94 HA ARG 12 HA ARG 12 -7.487 -3.130 3.116
95 1HB ARG 12 2HB ARG 12 -7.367 -2.379 0.196
96 2HB ARG 12 1HB ARG 12 -8.788 -3.024 1.007
97 1HG ARG 12 2HG ARG 12 -8.847 -1.080 2.472
98 2HG ARG 12 1HG ARG 12 -7.406 -0.436 1.683
99 1HD ARG 12 2HD ARG 12 -8.610 -0.317 -0.436
100 2HD ARG 12 1HD ARG 12 -10.047 -0.991 0.332
101 HE ARG 12 HE ARG 12 -9.207 1.720 0.366
102 1HH1 ARG 12 1HH1 ARG 12 -10.823 -0.702 2.313
103 2HH1 ARG 12 2HH1 ARG 12 -11.670 0.457 3.285
104 1HH2 ARG 12 1HH2 ARG 12 -10.327 3.254 1.645
105 2HH2 ARG 12 2HH2 ARG 12 -11.386 2.711 2.903
106 H ALA 13 H ALA 13 -5.445 -4.034 0.356
107 HA ALA 13 HA ALA 13 -6.548 -6.706 0.295
108 1HB ALA 13 1HB ALA 13 -4.613 -5.166 -1.340
109 2HB ALA 13 2HB ALA 13 -6.002 -6.132 -1.838
110 3HB ALA 13 3HB ALA 13 -4.497 -6.927 -1.375
111 H GLY 14 H GLY 14 -4.688 -5.390 2.480
112 1HA GLY 14 2HA GLY 14 -3.138 -6.126 4.001
113 2HA GLY 14 1HA GLY 14 -3.686 -7.725 3.581
114 H ILE 15 H ILE 15 -2.261 -5.610 1.277
115 HA ILE 15 HA ILE 15 -0.017 -7.475 1.084
116 HB ILE 15 HB ILE 15 0.454 -6.330 -1.122
117 1HG1 ILE 15 2HG1 ILE 15 -2.310 -5.202 -0.633
118 2HG1 ILE 15 1HG1 ILE 15 -0.818 -4.276 -0.731
119 1HG2 ILE 15 1HG2 ILE 15 -1.415 -8.328 -0.421
120 2HG2 ILE 15 2HG2 ILE 15 -0.527 -8.142 -1.933
121 3HG2 ILE 15 3HG2 ILE 15 -2.113 -7.394 -1.743
122 1HD1 ILE 15 1HD1 ILE 15 -1.704 -3.962 -2.818
123 2HD1 ILE 15 2HD1 ILE 15 -2.380 -5.589 -2.897
124 3HD1 ILE 15 3HD1 ILE 15 -0.645 -5.344 -3.100
125 H GLY 16 H GLY 16 -0.457 -5.316 3.045
126 1HA GLY 16 2HA GLY 16 1.302 -3.153 2.584
127 2HA GLY 16 1HA GLY 16 0.823 -3.756 4.164
128 H HIS 17 H HIS 17 1.872 -6.398 3.802
129 HA HIS 17 HA HIS 17 4.663 -5.831 4.362
130 1HB HIS 17 2HB HIS 17 3.162 -7.427 5.716
131 2HB HIS 17 1HB HIS 17 3.351 -8.552 4.378
132 HD1 HIS 17 1HD HIS 17 6.245 -8.641 3.794
133 HD2 HIS 17 2HD HIS 17 4.833 -8.170 7.681
134 HE1 HIS 17 1HE HIS 17 8.104 -9.436 5.292
135 H LYS 18 H LYS 18 2.756 -6.793 1.761
136 HA LYS 18 HA LYS 18 4.761 -8.335 0.380
137 1HB LYS 18 2HB LYS 18 2.049 -7.290 -0.443
138 2HB LYS 18 1HB LYS 18 3.099 -8.172 -1.537
139 1HG LYS 18 2HG LYS 18 1.447 -9.668 -0.668
140 2HG LYS 18 1HG LYS 18 3.013 -10.109 0.007
141 1HD LYS 18 2HD LYS 18 2.469 -9.202 2.118
142 2HD LYS 18 1HD LYS 18 1.072 -8.338 1.473
143 1HE LYS 18 2HE LYS 18 1.243 -11.337 1.424
144 2HE LYS 18 1HE LYS 18 0.637 -10.465 2.830
145 1HZ LYS 18 1HZ LYS 18 -1.082 -11.237 1.193
146 2HZ LYS 18 2HZ LYS 18 -0.481 -10.085 0.110
147 3HZ LYS 18 3HZ LYS 18 -1.146 -9.592 1.587
148 H TYR 19 H TYR 19 3.407 -5.088 0.230
149 HA TYR 19 HA TYR 19 5.223 -4.385 -1.953
150 1HB TYR 19 2HB TYR 19 2.855 -2.994 -0.713
151 2HB TYR 19 1HB TYR 19 3.938 -2.167 -1.823
152 HD1 TYR 19 1HD TYR 19 2.997 -5.722 -2.192
153 HD2 TYR 19 2HD TYR 19 2.297 -1.736 -3.503
154 HE1 TYR 19 1HE TYR 19 1.698 -6.581 -4.092
155 HE2 TYR 19 2HE TYR 19 0.998 -2.586 -5.407
156 HH TYR 19 HH TYR 19 0.897 -4.759 -6.746
157 HA PRO 20 HA PRO 20 8.100 -2.906 1.180
158 1HB PRO 20 2HB PRO 20 9.457 -1.893 -1.256
159 2HB PRO 20 1HB PRO 20 10.092 -2.897 0.052
160 1HG PRO 20 2HG PRO 20 9.558 -3.946 -2.341
161 2HG PRO 20 1HG PRO 20 9.230 -4.851 -0.851
162 1HD PRO 20 2HD PRO 20 7.329 -3.393 -2.642
163 2HD PRO 20 1HD PRO 20 7.120 -4.941 -1.798
164 H PHE 21 H PHE 21 7.142 -0.964 -1.640
165 HA PHE 21 HA PHE 21 7.703 1.514 -0.310
166 1HB PHE 21 2HB PHE 21 6.585 2.514 -2.358
167 2HB PHE 21 1HB PHE 21 8.030 1.556 -2.643
168 HD1 PHE 21 1HD PHE 21 8.003 -0.115 -4.228
169 HD2 PHE 21 2HD PHE 21 4.314 1.293 -2.645
170 HE1 PHE 21 1HE PHE 21 6.781 -1.469 -5.880
171 HE2 PHE 21 2HE PHE 21 3.087 -0.062 -4.289
172 HZ PHE 21 HZ PHE 21 4.320 -1.445 -5.909
173 H CYS 22 H CYS 22 5.222 -0.648 0.002
174 HA CYS 22 HA CYS 22 3.492 1.443 1.116
175 1HB CYS 22 2HB CYS 22 2.612 -0.825 -0.679
176 2HB CYS 22 1HB CYS 22 1.505 0.011 0.400
177 H HIS 23 H HIS 23 5.178 0.355 2.685
178 HA HIS 23 HA HIS 23 4.501 -2.148 3.838
179 1HB HIS 23 2HB HIS 23 6.761 -1.005 3.915
180 2HB HIS 23 1HB HIS 23 6.089 0.068 5.138
181 HD1 HIS 23 1HD HIS 23 6.170 -3.712 4.674
182 HD2 HIS 23 2HD HIS 23 6.786 -0.814 7.588
183 HE1 HIS 23 1HE HIS 23 6.797 -4.975 6.758
184 H CYS 24 H CYS 24 2.182 -1.079 3.737
185 HA CYS 24 HA CYS 24 1.363 0.463 5.991
186 1HB CYS 24 2HB CYS 24 0.259 0.303 3.700
187 2HB CYS 24 1HB CYS 24 -0.388 -1.244 4.233
188 H ARG 25 H ARG 25 -0.601 -0.453 7.267
189 HA ARG 25 HA ARG 25 0.383 -2.542 8.925
190 1HB ARG 25 2HB ARG 25 -1.032 -0.674 9.741
191 2HB ARG 25 1HB ARG 25 -2.385 -1.325 8.830
192 1HG ARG 25 2HG ARG 25 -2.273 -3.382 10.183
193 2HG ARG 25 1HG ARG 25 -0.973 -2.656 11.132
194 1HD ARG 25 2HD ARG 25 -2.493 -0.820 11.759
195 2HD ARG 25 1HD ARG 25 -3.788 -1.602 10.857
196 HE ARG 25 HE ARG 25 -4.117 -2.993 12.625
197 1HH1 ARG 25 1HH1 ARG 25 -0.926 -1.585 12.944
198 2HH1 ARG 25 2HH1 ARG 25 -0.609 -2.321 14.478
199 1HH2 ARG 25 1HH2 ARG 25 -3.704 -3.969 14.657
200 2HH2 ARG 25 2HH2 ARG 25 -2.194 -3.681 15.456
201 1HN NH2 26 1H ARG 25 0.556 -4.463 7.487
202 2HN NH2 26 2H ARG 25 -0.813 -5.435 7.892
Start of MODEL 15
1 1H PHE 1 1HT PHE 1 4.648 15.490 4.985
2 2H PHE 1 2HT PHE 1 4.919 14.493 6.322
3 3H PHE 1 3HT PHE 1 3.501 14.324 5.416
4 HA PHE 1 HA PHE 1 5.913 14.054 3.873
5 1HB PHE 1 2HB PHE 1 6.581 13.045 6.044
6 2HB PHE 1 1HB PHE 1 5.170 11.996 5.976
7 HD1 PHE 1 1HD PHE 1 5.660 9.829 5.450
8 HD2 PHE 1 2HD PHE 1 7.935 12.936 3.637
9 HE1 PHE 1 1HE PHE 1 6.972 8.148 4.223
10 HE2 PHE 1 2HE PHE 1 9.248 11.261 2.405
11 HZ PHE 1 HZ PHE 1 8.767 8.864 2.696
12 HA PRO 2 HA PRO 2 2.447 12.458 1.523
13 1HB PRO 2 2HB PRO 2 3.727 12.106 -0.807
14 2HB PRO 2 1HB PRO 2 3.344 13.722 -0.195
15 1HG PRO 2 2HG PRO 2 5.933 12.225 -0.102
16 2HG PRO 2 1HG PRO 2 5.641 13.934 -0.474
17 1HD PRO 2 2HD PRO 2 6.477 13.025 1.973
18 2HD PRO 2 1HD PRO 2 5.556 14.524 1.737
19 H ARG 3 H ARG 3 2.184 10.552 -0.063
20 HA ARG 3 HA ARG 3 3.904 8.299 0.247
21 1HB ARG 3 2HB ARG 3 2.352 6.831 1.437
22 2HB ARG 3 1HB ARG 3 2.792 8.207 2.438
23 1HG ARG 3 2HG ARG 3 0.671 9.266 1.993
24 2HG ARG 3 1HG ARG 3 0.234 7.979 0.866
25 1HD ARG 3 2HD ARG 3 -0.852 7.636 3.013
26 2HD ARG 3 1HD ARG 3 0.316 6.355 2.699
27 HE ARG 3 HE ARG 3 1.453 7.002 4.559
28 1HH1 ARG 3 1HH1 ARG 3 -0.608 9.655 3.578
29 2HH1 ARG 3 2HH1 ARG 3 -0.207 10.644 4.940
30 1HH2 ARG 3 1HH2 ARG 3 1.988 8.302 6.364
31 2HH2 ARG 3 2HH2 ARG 3 1.274 9.870 6.533
32 HA PRO 4 HA PRO 4 2.017 7.344 -3.607
33 1HB PRO 4 2HB PRO 4 2.240 4.595 -3.563
34 2HB PRO 4 1HB PRO 4 3.543 5.701 -4.008
35 1HG PRO 4 2HG PRO 4 3.032 4.312 -1.414
36 2HG PRO 4 1HG PRO 4 4.571 4.622 -2.240
37 1HD PRO 4 2HD PRO 4 3.753 6.092 -0.135
38 2HD PRO 4 1HD PRO 4 4.691 6.796 -1.468
39 H ARG 5 H ARG 5 0.015 6.951 -4.361
40 HA ARG 5 HA ARG 5 -2.118 6.495 -2.582
41 1HB ARG 5 2HB ARG 5 -1.933 6.632 -5.577
42 2HB ARG 5 1HB ARG 5 -3.443 6.192 -4.794
43 1HG ARG 5 2HG ARG 5 -3.612 8.488 -5.182
44 2HG ARG 5 1HG ARG 5 -3.208 8.352 -3.471
45 1HD ARG 5 2HD ARG 5 -1.880 10.106 -4.378
46 2HD ARG 5 1HD ARG 5 -0.812 8.732 -4.100
47 HE ARG 5 HE ARG 5 -0.350 8.731 -6.326
48 1HH1 ARG 5 1HH1 ARG 5 -3.422 10.359 -5.885
49 2HH1 ARG 5 2HH1 ARG 5 -3.604 10.748 -7.563
50 1HH2 ARG 5 1HH2 ARG 5 -0.588 9.247 -8.546
51 2HH2 ARG 5 2HH2 ARG 5 -1.990 10.113 -9.079
52 H ILE 6 H ILE 6 -0.069 4.342 -4.215
53 HA ILE 6 HA ILE 6 -1.716 2.115 -4.630
54 HB ILE 6 HB ILE 6 1.188 2.057 -3.830
55 1HG1 ILE 6 2HG1 ILE 6 0.882 3.617 -5.695
56 2HG1 ILE 6 1HG1 ILE 6 1.709 2.161 -6.237
57 1HG2 ILE 6 1HG2 ILE 6 -0.270 -0.078 -3.963
58 2HG2 ILE 6 2HG2 ILE 6 1.315 -0.070 -4.735
59 3HG2 ILE 6 3HG2 ILE 6 -0.140 0.146 -5.707
60 1HD1 ILE 6 1HD1 ILE 6 -0.093 1.441 -7.475
61 2HD1 ILE 6 2HD1 ILE 6 -0.189 3.192 -7.671
62 3HD1 ILE 6 3HD1 ILE 6 -1.252 2.372 -6.527
63 H CYS 7 H CYS 7 -0.112 3.346 -1.780
64 HA CYS 7 HA CYS 7 -0.193 1.159 -0.087
65 1HB CYS 7 2HB CYS 7 -0.582 4.089 0.533
66 2HB CYS 7 1HB CYS 7 -0.341 2.851 1.754
67 H ASN 8 H ASN 8 -2.731 3.243 -1.157
68 HA ASN 8 HA ASN 8 -4.717 2.790 0.763
69 1HB ASN 8 2HB ASN 8 -5.009 4.458 -0.954
70 2HB ASN 8 1HB ASN 8 -4.940 3.245 -2.215
71 1HD2 ASN 8 1HD2 ASN 8 -6.855 3.117 -3.111
72 2HD2 ASN 8 2HD2 ASN 8 -8.363 3.017 -2.279
73 H LEU 9 H LEU 9 -4.251 1.145 -2.328
74 HA LEU 9 HA LEU 9 -6.169 -0.876 -1.746
75 1HB LEU 9 2HB LEU 9 -5.351 -1.984 -3.789
76 2HB LEU 9 1HB LEU 9 -5.767 -0.303 -4.041
77 HG LEU 9 HG LEU 9 -3.137 -0.012 -3.619
78 1HD1 LEU 9 1HD1 LEU 9 -2.902 -2.496 -3.304
79 2HD1 LEU 9 2HD1 LEU 9 -1.846 -1.779 -4.521
80 3HD1 LEU 9 3HD1 LEU 9 -3.285 -2.671 -5.017
81 1HD2 LEU 9 1HD2 LEU 9 -4.887 -0.196 -5.905
82 2HD2 LEU 9 2HD2 LEU 9 -3.249 -0.706 -6.311
83 3HD2 LEU 9 3HD2 LEU 9 -3.527 0.889 -5.610
84 H ALA 10 H ALA 10 -2.739 -0.573 -1.338
85 HA ALA 10 HA ALA 10 -2.102 -3.265 -0.873
86 1HB ALA 10 1HB ALA 10 -0.119 -2.260 -1.000
87 2HB ALA 10 2HB ALA 10 -0.339 -1.841 0.700
88 3HB ALA 10 3HB ALA 10 -0.797 -0.693 -0.558
89 H CYS 11 H CYS 11 -3.048 -0.685 1.389
90 HA CYS 11 HA CYS 11 -2.775 -2.245 3.725
91 1HB CYS 11 2HB CYS 11 -4.511 0.176 3.184
92 2HB CYS 11 1HB CYS 11 -4.295 -0.536 4.773
93 H ARG 12 H ARG 12 -5.638 -1.518 1.730
94 HA ARG 12 HA ARG 12 -7.427 -2.925 3.391
95 1HB ARG 12 2HB ARG 12 -9.042 -2.744 1.579
96 2HB ARG 12 1HB ARG 12 -8.213 -1.221 1.849
97 1HG ARG 12 2HG ARG 12 -6.781 -1.672 -0.093
98 2HG ARG 12 1HG ARG 12 -7.667 -3.173 -0.375
99 1HD ARG 12 2HD ARG 12 -8.550 -1.468 -1.822
100 2HD ARG 12 1HD ARG 12 -9.751 -1.851 -0.590
101 HE ARG 12 HE ARG 12 -8.058 0.376 0.096
102 1HH1 ARG 12 1HH1 ARG 12 -10.981 -0.612 -1.554
103 2HH1 ARG 12 2HH1 ARG 12 -11.710 0.958 -1.490
104 1HH2 ARG 12 1HH2 ARG 12 -8.995 2.467 0.167
105 2HH2 ARG 12 2HH2 ARG 12 -10.582 2.712 -0.496
106 H ALA 13 H ALA 13 -5.527 -3.964 0.603
107 HA ALA 13 HA ALA 13 -6.770 -6.579 0.633
108 1HB ALA 13 1HB ALA 13 -5.122 -5.090 -1.198
109 2HB ALA 13 2HB ALA 13 -6.137 -6.500 -1.499
110 3HB ALA 13 3HB ALA 13 -4.474 -6.713 -0.952
111 H GLY 14 H GLY 14 -4.610 -5.086 2.516
112 1HA GLY 14 2HA GLY 14 -3.133 -5.778 4.129
113 2HA GLY 14 1HA GLY 14 -3.776 -7.382 3.892
114 H ILE 15 H ILE 15 -2.479 -5.812 1.186
115 HA ILE 15 HA ILE 15 -0.264 -7.708 1.169
116 HB ILE 15 HB ILE 15 0.090 -6.927 -1.191
117 1HG1 ILE 15 2HG1 ILE 15 -2.514 -5.473 -0.672
118 2HG1 ILE 15 1HG1 ILE 15 -0.955 -4.726 -1.006
119 1HG2 ILE 15 1HG2 ILE 15 -1.376 -8.896 -0.369
120 2HG2 ILE 15 2HG2 ILE 15 -1.494 -8.379 -2.052
121 3HG2 ILE 15 3HG2 ILE 15 -2.726 -7.888 -0.890
122 1HD1 ILE 15 1HD1 ILE 15 -2.253 -6.583 -2.962
123 2HD1 ILE 15 2HD1 ILE 15 -0.993 -5.380 -3.242
124 3HD1 ILE 15 3HD1 ILE 15 -2.646 -4.865 -2.904
125 H GLY 16 H GLY 16 -0.614 -5.150 2.717
126 1HA GLY 16 2HA GLY 16 1.243 -3.233 1.820
127 2HA GLY 16 1HA GLY 16 0.762 -3.478 3.495
128 H HIS 17 H HIS 17 1.672 -6.077 3.871
129 HA HIS 17 HA HIS 17 4.378 -5.609 4.482
130 1HB HIS 17 2HB HIS 17 2.866 -8.226 4.355
131 2HB HIS 17 1HB HIS 17 4.465 -8.024 5.065
132 HD1 HIS 17 1HD HIS 17 4.335 -5.858 6.972
133 HD2 HIS 17 2HD HIS 17 1.001 -8.243 6.292
134 HE1 HIS 17 1HE HIS 17 2.885 -5.580 9.004
135 H LYS 18 H LYS 18 2.818 -6.911 1.705
136 HA LYS 18 HA LYS 18 5.185 -8.092 0.577
137 1HB LYS 18 2HB LYS 18 3.011 -9.055 0.081
138 2HB LYS 18 1HB LYS 18 2.462 -7.532 -0.605
139 1HG LYS 18 2HG LYS 18 4.102 -7.741 -2.400
140 2HG LYS 18 1HG LYS 18 4.669 -9.261 -1.707
141 1HD LYS 18 2HD LYS 18 1.845 -8.757 -2.645
142 2HD LYS 18 1HD LYS 18 3.091 -9.547 -3.612
143 1HE LYS 18 2HE LYS 18 2.058 -10.509 -0.945
144 2HE LYS 18 1HE LYS 18 1.612 -11.171 -2.517
145 1HZ LYS 18 1HZ LYS 18 4.170 -11.468 -2.748
146 2HZ LYS 18 2HZ LYS 18 3.266 -12.595 -1.868
147 3HZ LYS 18 3HZ LYS 18 4.150 -11.403 -1.057
148 H TYR 19 H TYR 19 3.462 -5.036 0.279
149 HA TYR 19 HA TYR 19 5.098 -4.225 -1.980
150 1HB TYR 19 2HB TYR 19 2.844 -2.933 -0.472
151 2HB TYR 19 1HB TYR 19 3.810 -2.014 -1.622
152 HD1 TYR 19 1HD TYR 19 2.185 -1.575 -3.274
153 HD2 TYR 19 2HD TYR 19 2.811 -5.574 -1.966
154 HE1 TYR 19 1HE TYR 19 0.792 -2.394 -5.126
155 HE2 TYR 19 2HE TYR 19 1.419 -6.403 -3.813
156 HH TYR 19 HH TYR 19 -0.405 -4.242 -5.853
157 HA PRO 20 HA PRO 20 8.403 -2.784 0.665
158 1HB PRO 20 2HB PRO 20 9.203 -1.508 -1.897
159 2HB PRO 20 1HB PRO 20 10.141 -2.535 -0.807
160 1HG PRO 20 2HG PRO 20 9.219 -3.494 -3.112
161 2HG PRO 20 1HG PRO 20 9.220 -4.493 -1.645
162 1HD PRO 20 2HD PRO 20 6.949 -3.070 -2.970
163 2HD PRO 20 1HD PRO 20 6.978 -4.662 -2.185
164 H PHE 21 H PHE 21 7.034 -0.577 -1.780
165 HA PHE 21 HA PHE 21 7.694 1.733 -0.209
166 1HB PHE 21 2HB PHE 21 6.357 2.929 -2.032
167 2HB PHE 21 1HB PHE 21 7.824 2.093 -2.523
168 HD1 PHE 21 1HD PHE 21 4.179 1.324 -2.132
169 HD2 PHE 21 2HD PHE 21 7.715 0.899 -4.461
170 HE1 PHE 21 1HE PHE 21 2.908 0.075 -3.827
171 HE2 PHE 21 2HE PHE 21 6.449 -0.349 -6.161
172 HZ PHE 21 HZ PHE 21 4.042 -0.763 -5.845
173 H CYS 22 H CYS 22 5.377 -0.484 0.286
174 HA CYS 22 HA CYS 22 3.730 1.410 1.762
175 1HB CYS 22 2HB CYS 22 2.624 -0.396 -0.400
176 2HB CYS 22 1HB CYS 22 1.626 0.302 0.867
177 H HIS 23 H HIS 23 5.345 -0.103 3.075
178 HA HIS 23 HA HIS 23 4.528 -2.778 3.546
179 1HB HIS 23 2HB HIS 23 6.432 -0.930 4.927
180 2HB HIS 23 1HB HIS 23 5.988 -2.461 5.676
181 HD1 HIS 23 1HD HIS 23 6.011 -4.328 3.263
182 HD2 HIS 23 2HD HIS 23 8.912 -1.429 3.945
183 HE1 HIS 23 1HE HIS 23 8.062 -5.142 2.070
184 H CYS 24 H CYS 24 2.277 -1.621 3.689
185 HA CYS 24 HA CYS 24 1.411 -0.804 6.300
186 1HB CYS 24 2HB CYS 24 0.473 -0.150 4.007
187 2HB CYS 24 1HB CYS 24 -0.293 -1.731 3.999
188 H ARG 25 H ARG 25 -0.885 -2.041 6.723
189 HA ARG 25 HA ARG 25 -0.150 -4.488 7.955
190 1HB ARG 25 2HB ARG 25 -2.533 -4.658 8.560
191 2HB ARG 25 1HB ARG 25 -1.882 -3.061 8.905
192 1HG ARG 25 2HG ARG 25 -2.904 -2.207 6.847
193 2HG ARG 25 1HG ARG 25 -3.576 -3.808 6.527
194 1HD ARG 25 2HD ARG 25 -5.256 -2.371 7.530
195 2HD ARG 25 1HD ARG 25 -4.841 -3.687 8.625
196 HE ARG 25 HE ARG 25 -4.183 -2.129 10.142
197 1HH1 ARG 25 1HH1 ARG 25 -4.090 -0.627 6.979
198 2HH1 ARG 25 2HH1 ARG 25 -3.626 0.928 7.584
199 1HH2 ARG 25 1HH2 ARG 25 -3.583 -0.070 10.950
200 2HH2 ARG 25 2HH2 ARG 25 -3.344 1.247 9.850
201 1HN NH2 26 1H ARG 25 -1.661 -6.469 7.622
202 2HN NH2 26 2H ARG 25 -1.814 -7.006 5.987
Start of MODEL 16
1 1H PHE 1 1HT PHE 1 -0.705 12.626 8.270
2 2H PHE 1 2HT PHE 1 0.415 11.405 8.609
3 3H PHE 1 3HT PHE 1 -1.108 11.006 7.992
4 HA PHE 1 HA PHE 1 0.255 12.848 6.307
5 1HB PHE 1 2HB PHE 1 1.551 10.204 7.002
6 2HB PHE 1 1HB PHE 1 1.872 11.044 5.490
7 HD1 PHE 1 1HD PHE 1 3.818 12.227 5.430
8 HD2 PHE 1 2HD PHE 1 1.741 11.917 9.132
9 HE1 PHE 1 1HE PHE 1 5.584 13.538 6.527
10 HE2 PHE 1 2HE PHE 1 3.503 13.232 10.235
11 HZ PHE 1 HZ PHE 1 5.428 14.045 8.932
12 HA PRO 2 HA PRO 2 -2.798 10.898 3.764
13 1HB PRO 2 2HB PRO 2 -1.260 11.759 1.421
14 2HB PRO 2 1HB PRO 2 -2.856 12.282 1.962
15 1HG PRO 2 2HG PRO 2 -0.699 13.890 2.092
16 2HG PRO 2 1HG PRO 2 -2.006 13.958 3.289
17 1HD PRO 2 2HD PRO 2 0.689 12.664 3.494
18 2HD PRO 2 1HD PRO 2 -0.206 13.605 4.708
19 H ARG 3 H ARG 3 -3.057 8.916 2.876
20 HA ARG 3 HA ARG 3 -0.686 7.295 2.501
21 1HB ARG 3 2HB ARG 3 -3.620 6.571 2.385
22 2HB ARG 3 1HB ARG 3 -2.302 5.425 2.209
23 1HG ARG 3 2HG ARG 3 -1.550 6.061 4.504
24 2HG ARG 3 1HG ARG 3 -3.032 7.010 4.656
25 1HD ARG 3 2HD ARG 3 -4.348 4.974 4.196
26 2HD ARG 3 1HD ARG 3 -2.854 4.044 4.129
27 HE ARG 3 HE ARG 3 -2.812 4.017 6.407
28 1HH1 ARG 3 1HH1 ARG 3 -5.059 6.493 5.376
29 2HH1 ARG 3 2HH1 ARG 3 -5.597 6.860 6.981
30 1HH2 ARG 3 1HH2 ARG 3 -3.518 4.492 8.531
31 2HH2 ARG 3 2HH2 ARG 3 -4.716 5.718 8.782
32 HA PRO 4 HA PRO 4 -0.528 7.969 -1.904
33 1HB PRO 4 2HB PRO 4 0.779 5.300 -1.830
34 2HB PRO 4 1HB PRO 4 1.349 6.813 -2.545
35 1HG PRO 4 2HG PRO 4 2.401 5.893 -0.274
36 2HG PRO 4 1HG PRO 4 2.132 7.628 -0.522
37 1HD PRO 4 2HD PRO 4 0.559 5.679 1.109
38 2HD PRO 4 1HD PRO 4 0.938 7.382 1.439
39 H ARG 5 H ARG 5 -1.697 7.260 -3.651
40 HA ARG 5 HA ARG 5 -4.040 5.878 -3.293
41 1HB ARG 5 2HB ARG 5 -3.419 7.340 -5.244
42 2HB ARG 5 1HB ARG 5 -2.532 5.975 -5.906
43 1HG ARG 5 2HG ARG 5 -4.735 6.182 -6.922
44 2HG ARG 5 1HG ARG 5 -4.587 4.673 -6.019
45 1HD ARG 5 2HD ARG 5 -6.748 5.706 -5.599
46 2HD ARG 5 1HD ARG 5 -5.773 5.695 -4.130
47 HE ARG 5 HE ARG 5 -5.435 8.136 -5.524
48 1HH1 ARG 5 1HH1 ARG 5 -7.726 6.417 -3.518
49 2HH1 ARG 5 2HH1 ARG 5 -8.485 7.853 -2.919
50 1HH2 ARG 5 1HH2 ARG 5 -6.435 10.047 -4.739
51 2HH2 ARG 5 2HH2 ARG 5 -7.749 9.924 -3.618
52 H ILE 6 H ILE 6 -0.896 4.563 -4.163
53 HA ILE 6 HA ILE 6 -1.898 1.953 -4.757
54 HB ILE 6 HB ILE 6 0.930 2.788 -4.094
55 1HG1 ILE 6 2HG1 ILE 6 0.081 3.975 -6.054
56 2HG1 ILE 6 1HG1 ILE 6 1.286 2.786 -6.533
57 1HG2 ILE 6 1HG2 ILE 6 0.997 0.585 -5.780
58 2HG2 ILE 6 2HG2 ILE 6 -0.270 0.208 -4.613
59 3HG2 ILE 6 3HG2 ILE 6 1.355 0.604 -4.054
60 1HD1 ILE 6 1HD1 ILE 6 -0.480 1.277 -7.259
61 2HD1 ILE 6 2HD1 ILE 6 -0.597 2.836 -8.073
62 3HD1 ILE 6 3HD1 ILE 6 -1.698 2.447 -6.751
63 H CYS 7 H CYS 7 -0.355 3.443 -1.967
64 HA CYS 7 HA CYS 7 -0.197 1.152 -0.357
65 1HB CYS 7 2HB CYS 7 -0.460 4.072 0.355
66 2HB CYS 7 1HB CYS 7 -0.193 2.808 1.544
67 H ASN 8 H ASN 8 -2.794 3.267 -1.171
68 HA ASN 8 HA ASN 8 -4.612 2.787 0.905
69 1HB ASN 8 2HB ASN 8 -4.920 4.486 -0.870
70 2HB ASN 8 1HB ASN 8 -5.217 3.205 -2.031
71 1HD2 ASN 8 1HD2 ASN 8 -7.263 2.923 -2.469
72 2HD2 ASN 8 2HD2 ASN 8 -8.586 3.159 -1.385
73 H LEU 9 H LEU 9 -4.362 1.202 -2.250
74 HA LEU 9 HA LEU 9 -6.240 -0.829 -1.599
75 1HB LEU 9 2HB LEU 9 -5.500 -1.924 -3.680
76 2HB LEU 9 1HB LEU 9 -5.929 -0.243 -3.905
77 HG LEU 9 HG LEU 9 -3.288 0.057 -3.590
78 1HD1 LEU 9 1HD1 LEU 9 -3.142 -2.498 -3.337
79 2HD1 LEU 9 2HD1 LEU 9 -1.997 -1.694 -4.409
80 3HD1 LEU 9 3HD1 LEU 9 -3.392 -2.538 -5.082
81 1HD2 LEU 9 1HD2 LEU 9 -3.465 0.807 -5.674
82 2HD2 LEU 9 2HD2 LEU 9 -5.118 0.196 -5.666
83 3HD2 LEU 9 3HD2 LEU 9 -3.812 -0.804 -6.301
84 H ALA 10 H ALA 10 -2.798 -0.494 -1.299
85 HA ALA 10 HA ALA 10 -2.093 -3.172 -0.884
86 1HB ALA 10 1HB ALA 10 -0.263 -1.819 -1.196
87 2HB ALA 10 2HB ALA 10 -0.216 -2.055 0.551
88 3HB ALA 10 3HB ALA 10 -0.872 -0.562 -0.119
89 H CYS 11 H CYS 11 -3.086 -0.671 1.457
90 HA CYS 11 HA CYS 11 -2.810 -2.324 3.745
91 1HB CYS 11 2HB CYS 11 -4.727 0.001 3.411
92 2HB CYS 11 1HB CYS 11 -4.149 -0.667 4.926
93 H ARG 12 H ARG 12 -5.586 -1.518 1.689
94 HA ARG 12 HA ARG 12 -7.542 -2.884 3.135
95 1HB ARG 12 2HB ARG 12 -8.078 -1.253 1.406
96 2HB ARG 12 1HB ARG 12 -7.428 -2.323 0.172
97 1HG ARG 12 2HG ARG 12 -9.184 -3.887 0.479
98 2HG ARG 12 1HG ARG 12 -9.737 -3.074 1.944
99 1HD ARG 12 2HD ARG 12 -9.769 -1.875 -0.825
100 2HD ARG 12 1HD ARG 12 -11.159 -2.601 -0.021
101 HE ARG 12 HE ARG 12 -10.155 0.024 0.360
102 1HH1 ARG 12 1HH1 ARG 12 -11.673 -2.623 2.080
103 2HH1 ARG 12 2HH1 ARG 12 -12.339 -1.610 3.317
104 1HH2 ARG 12 1HH2 ARG 12 -11.037 1.370 1.989
105 2HH2 ARG 12 2HH2 ARG 12 -11.977 0.669 3.263
106 H ALA 13 H ALA 13 -5.508 -4.033 0.469
107 HA ALA 13 HA ALA 13 -6.708 -6.664 0.597
108 1HB ALA 13 1HB ALA 13 -6.049 -6.694 -1.523
109 2HB ALA 13 2HB ALA 13 -4.376 -6.774 -0.968
110 3HB ALA 13 3HB ALA 13 -5.124 -5.210 -1.292
111 H GLY 14 H GLY 14 -4.648 -5.121 2.517
112 1HA GLY 14 2HA GLY 14 -3.168 -5.762 4.147
113 2HA GLY 14 1HA GLY 14 -3.756 -7.387 3.900
114 H ILE 15 H ILE 15 -2.469 -5.807 1.193
115 HA ILE 15 HA ILE 15 -0.223 -7.651 1.197
116 HB ILE 15 HB ILE 15 0.183 -6.786 -1.128
117 1HG1 ILE 15 2HG1 ILE 15 -2.446 -5.375 -0.615
118 2HG1 ILE 15 1HG1 ILE 15 -0.890 -4.604 -0.906
119 1HG2 ILE 15 1HG2 ILE 15 -2.427 -8.077 -0.385
120 2HG2 ILE 15 2HG2 ILE 15 -0.938 -8.845 -0.938
121 3HG2 ILE 15 3HG2 ILE 15 -1.907 -7.890 -2.059
122 1HD1 ILE 15 1HD1 ILE 15 -1.676 -4.443 -2.999
123 2HD1 ILE 15 2HD1 ILE 15 -2.805 -5.781 -2.793
124 3HD1 ILE 15 3HD1 ILE 15 -1.105 -6.106 -3.128
125 H GLY 16 H GLY 16 -0.535 -5.215 2.887
126 1HA GLY 16 2HA GLY 16 1.298 -3.225 2.100
127 2HA GLY 16 1HA GLY 16 0.837 -3.584 3.758
128 H HIS 17 H HIS 17 1.765 -6.291 3.754
129 HA HIS 17 HA HIS 17 4.503 -5.812 4.390
130 1HB HIS 17 2HB HIS 17 2.929 -7.474 5.530
131 2HB HIS 17 1HB HIS 17 3.192 -8.520 4.141
132 HD1 HIS 17 1HD HIS 17 4.078 -10.002 6.344
133 HD2 HIS 17 2HD HIS 17 6.509 -6.943 4.924
134 HE1 HIS 17 1HE HIS 17 6.375 -10.496 7.240
135 H LYS 18 H LYS 18 2.810 -6.889 1.611
136 HA LYS 18 HA LYS 18 5.099 -8.134 0.369
137 1HB LYS 18 2HB LYS 18 2.342 -7.484 -0.673
138 2HB LYS 18 1HB LYS 18 3.582 -8.292 -1.622
139 1HG LYS 18 2HG LYS 18 3.626 -10.118 0.018
140 2HG LYS 18 1HG LYS 18 2.345 -9.313 0.926
141 1HD LYS 18 2HD LYS 18 1.441 -11.081 -0.498
142 2HD LYS 18 1HD LYS 18 0.855 -9.495 -1.002
143 1HE LYS 18 2HE LYS 18 1.474 -10.862 -2.929
144 2HE LYS 18 1HE LYS 18 2.514 -9.445 -2.795
145 1HZ LYS 18 1HZ LYS 18 4.242 -10.807 -2.828
146 2HZ LYS 18 2HZ LYS 18 3.241 -12.169 -2.831
147 3HZ LYS 18 3HZ LYS 18 3.736 -11.488 -1.364
148 H TYR 19 H TYR 19 3.444 -5.042 0.244
149 HA TYR 19 HA TYR 19 5.054 -4.164 -2.015
150 1HB TYR 19 2HB TYR 19 2.805 -2.930 -0.446
151 2HB TYR 19 1HB TYR 19 3.777 -1.960 -1.547
152 HD1 TYR 19 1HD TYR 19 2.881 -5.491 -2.177
153 HD2 TYR 19 2HD TYR 19 2.021 -1.423 -3.068
154 HE1 TYR 19 1HE TYR 19 1.471 -6.208 -4.058
155 HE2 TYR 19 2HE TYR 19 0.607 -2.129 -4.951
156 HH TYR 19 HH TYR 19 0.473 -4.194 -6.480
157 HA PRO 20 HA PRO 20 8.309 -2.895 0.821
158 1HB PRO 20 2HB PRO 20 9.299 -1.673 -1.702
159 2HB PRO 20 1HB PRO 20 10.135 -2.729 -0.558
160 1HG PRO 20 2HG PRO 20 9.303 -3.666 -2.904
161 2HG PRO 20 1HG PRO 20 9.181 -4.654 -1.436
162 1HD PRO 20 2HD PRO 20 7.049 -3.143 -2.890
163 2HD PRO 20 1HD PRO 20 6.968 -4.734 -2.103
164 H PHE 21 H PHE 21 7.092 -0.703 -1.704
165 HA PHE 21 HA PHE 21 7.742 1.634 -0.165
166 1HB PHE 21 2HB PHE 21 6.463 2.793 -2.069
167 2HB PHE 21 1HB PHE 21 7.964 1.967 -2.467
168 HD1 PHE 21 1HD PHE 21 7.967 0.744 -4.388
169 HD2 PHE 21 2HD PHE 21 4.318 1.141 -2.234
170 HE1 PHE 21 1HE PHE 21 6.804 -0.552 -6.126
171 HE2 PHE 21 2HE PHE 21 3.151 -0.158 -3.965
172 HZ PHE 21 HZ PHE 21 4.393 -1.006 -5.915
173 H CYS 22 H CYS 22 5.339 -0.547 0.201
174 HA CYS 22 HA CYS 22 3.651 1.426 1.542
175 1HB CYS 22 2HB CYS 22 2.662 -0.580 -0.493
176 2HB CYS 22 1HB CYS 22 1.606 0.162 0.701
177 H HIS 23 H HIS 23 5.279 0.113 3.001
178 HA HIS 23 HA HIS 23 4.560 -2.523 3.776
179 1HB HIS 23 2HB HIS 23 6.389 -0.425 4.851
180 2HB HIS 23 1HB HIS 23 5.958 -1.776 5.893
181 HD1 HIS 23 1HD HIS 23 8.834 -1.619 5.191
182 HD2 HIS 23 2HD HIS 23 6.086 -3.568 2.758
183 HE1 HIS 23 1HE HIS 23 10.177 -3.257 3.840
184 H CYS 24 H CYS 24 2.250 -1.400 3.746
185 HA CYS 24 HA CYS 24 1.357 -0.317 6.253
186 1HB CYS 24 2HB CYS 24 0.421 0.079 3.887
187 2HB CYS 24 1HB CYS 24 -0.362 -1.485 4.078
188 H ARG 25 H ARG 25 -0.809 -1.469 7.040
189 HA ARG 25 HA ARG 25 -0.797 -4.315 7.049
190 1HB ARG 25 2HB ARG 25 -0.012 -4.828 9.186
191 2HB ARG 25 1HB ARG 25 1.143 -3.640 8.613
192 1HG ARG 25 2HG ARG 25 -1.143 -3.101 10.500
193 2HG ARG 25 1HG ARG 25 0.547 -3.296 10.955
194 1HD ARG 25 2HD ARG 25 -0.674 -1.087 9.310
195 2HD ARG 25 1HD ARG 25 0.037 -0.959 10.916
196 HE ARG 25 HE ARG 25 1.896 -1.918 8.958
197 1HH1 ARG 25 1HH1 ARG 25 0.448 0.936 10.361
198 2HH1 ARG 25 2HH1 ARG 25 1.703 2.002 9.823
199 1HH2 ARG 25 1HH2 ARG 25 3.548 -0.512 8.203
200 2HH2 ARG 25 2HH2 ARG 25 3.474 1.175 8.600
201 1HN NH2 26 1H ARG 25 -2.538 -5.160 8.521
202 2HN NH2 26 2H ARG 25 -3.956 -4.184 8.390
Start of MODEL 17
1 1H PHE 1 1HT PHE 1 8.488 13.644 1.190
2 2H PHE 1 2HT PHE 1 6.879 13.630 1.709
3 3H PHE 1 3HT PHE 1 7.546 15.044 1.061
4 HA PHE 1 HA PHE 1 7.042 14.463 -0.985
5 1HB PHE 1 2HB PHE 1 7.795 12.273 -1.902
6 2HB PHE 1 1HB PHE 1 9.073 13.132 -1.055
7 HD1 PHE 1 1HD PHE 1 10.225 12.131 0.715
8 HD2 PHE 1 2HD PHE 1 6.622 10.366 -0.709
9 HE1 PHE 1 1HE PHE 1 10.671 10.130 2.073
10 HE2 PHE 1 2HE PHE 1 7.060 8.366 0.654
11 HZ PHE 1 HZ PHE 1 9.087 8.246 2.047
12 HA PRO 2 HA PRO 2 2.991 12.770 -0.543
13 1HB PRO 2 2HB PRO 2 2.836 12.251 -3.407
14 2HB PRO 2 1HB PRO 2 1.996 13.476 -2.454
15 1HG PRO 2 2HG PRO 2 3.940 14.075 -4.249
16 2HG PRO 2 1HG PRO 2 3.623 15.051 -2.803
17 1HD PRO 2 2HD PRO 2 5.768 13.021 -3.293
18 2HD PRO 2 1HD PRO 2 5.862 14.583 -2.449
19 H ARG 3 H ARG 3 2.257 10.795 -0.025
20 HA ARG 3 HA ARG 3 3.799 8.487 -0.752
21 1HB ARG 3 2HB ARG 3 1.276 8.758 0.887
22 2HB ARG 3 1HB ARG 3 2.143 7.247 0.651
23 1HG ARG 3 2HG ARG 3 4.144 8.317 1.686
24 2HG ARG 3 1HG ARG 3 3.133 9.713 2.063
25 1HD ARG 3 2HD ARG 3 1.640 8.270 3.367
26 2HD ARG 3 1HD ARG 3 2.665 6.884 3.001
27 HE ARG 3 HE ARG 3 4.096 7.555 4.641
28 1HH1 ARG 3 1HH1 ARG 3 2.017 10.254 3.839
29 2HH1 ARG 3 2HH1 ARG 3 2.639 11.278 5.090
30 1HH2 ARG 3 1HH2 ARG 3 4.928 8.900 6.295
31 2HH2 ARG 3 2HH2 ARG 3 4.302 10.504 6.492
32 HA PRO 4 HA PRO 4 1.551 7.243 -4.314
33 1HB PRO 4 2HB PRO 4 1.884 4.527 -4.119
34 2HB PRO 4 1HB PRO 4 3.119 5.635 -4.722
35 1HG PRO 4 2HG PRO 4 2.837 4.399 -2.018
36 2HG PRO 4 1HG PRO 4 4.302 4.684 -2.976
37 1HD PRO 4 2HD PRO 4 3.586 6.272 -0.908
38 2HD PRO 4 1HD PRO 4 4.441 6.896 -2.332
39 H ARG 5 H ARG 5 -0.503 6.756 -4.811
40 HA ARG 5 HA ARG 5 -2.404 6.326 -2.764
41 1HB ARG 5 2HB ARG 5 -2.491 6.553 -5.728
42 2HB ARG 5 1HB ARG 5 -3.876 5.821 -4.930
43 1HG ARG 5 2HG ARG 5 -4.114 8.254 -5.333
44 2HG ARG 5 1HG ARG 5 -4.265 7.796 -3.637
45 1HD ARG 5 2HD ARG 5 -1.959 8.488 -3.239
46 2HD ARG 5 1HD ARG 5 -1.785 8.915 -4.939
47 HE ARG 5 HE ARG 5 -3.948 10.349 -3.996
48 1HH1 ARG 5 1HH1 ARG 5 -0.542 10.103 -3.214
49 2HH1 ARG 5 2HH1 ARG 5 -0.393 11.769 -2.768
50 1HH2 ARG 5 1HH2 ARG 5 -3.758 12.553 -3.395
51 2HH2 ARG 5 2HH2 ARG 5 -2.230 13.166 -2.864
52 H ILE 6 H ILE 6 -0.446 4.185 -4.481
53 HA ILE 6 HA ILE 6 -2.032 1.886 -4.688
54 HB ILE 6 HB ILE 6 0.916 1.967 -4.059
55 1HG1 ILE 6 2HG1 ILE 6 -0.435 2.061 -6.770
56 2HG1 ILE 6 1HG1 ILE 6 0.369 3.419 -5.990
57 1HG2 ILE 6 1HG2 ILE 6 -0.291 -0.088 -5.823
58 2HG2 ILE 6 2HG2 ILE 6 -0.614 -0.210 -4.094
59 3HG2 ILE 6 3HG2 ILE 6 1.048 -0.218 -4.685
60 1HD1 ILE 6 1HD1 ILE 6 1.510 1.695 -7.773
61 2HD1 ILE 6 2HD1 ILE 6 2.060 1.061 -6.222
62 3HD1 ILE 6 3HD1 ILE 6 2.382 2.740 -6.651
63 H CYS 7 H CYS 7 -0.282 3.304 -2.022
64 HA CYS 7 HA CYS 7 -0.247 1.191 -0.218
65 1HB CYS 7 2HB CYS 7 -0.533 4.159 0.257
66 2HB CYS 7 1HB CYS 7 -0.238 2.990 1.532
67 H ASN 8 H ASN 8 -2.817 3.302 -1.202
68 HA ASN 8 HA ASN 8 -4.645 2.849 0.907
69 1HB ASN 8 2HB ASN 8 -5.079 3.563 -1.995
70 2HB ASN 8 1HB ASN 8 -6.398 3.438 -0.840
71 1HD2 ASN 8 1HD2 ASN 8 -3.980 4.498 1.007
72 2HD2 ASN 8 2HD2 ASN 8 -4.181 6.204 0.838
73 H LEU 9 H LEU 9 -4.067 1.180 -2.125
74 HA LEU 9 HA LEU 9 -6.127 -0.771 -1.726
75 1HB LEU 9 2HB LEU 9 -5.539 -0.266 -3.976
76 2HB LEU 9 1HB LEU 9 -3.834 -0.520 -3.660
77 HG LEU 9 HG LEU 9 -4.318 -2.940 -3.304
78 1HD1 LEU 9 1HD1 LEU 9 -7.035 -2.212 -4.398
79 2HD1 LEU 9 2HD1 LEU 9 -6.693 -2.737 -2.749
80 3HD1 LEU 9 3HD1 LEU 9 -6.438 -3.843 -4.099
81 1HD2 LEU 9 1HD2 LEU 9 -3.672 -3.148 -5.413
82 2HD2 LEU 9 2HD2 LEU 9 -4.127 -1.470 -5.703
83 3HD2 LEU 9 3HD2 LEU 9 -5.294 -2.762 -5.980
84 H ALA 10 H ALA 10 -2.660 -0.613 -1.377
85 HA ALA 10 HA ALA 10 -2.041 -3.226 -0.792
86 1HB ALA 10 1HB ALA 10 -0.134 -2.043 -0.989
87 2HB ALA 10 2HB ALA 10 -0.257 -1.986 0.770
88 3HB ALA 10 3HB ALA 10 -0.807 -0.618 -0.198
89 H CYS 11 H CYS 11 -3.077 -0.710 1.523
90 HA CYS 11 HA CYS 11 -2.804 -2.360 3.801
91 1HB CYS 11 2HB CYS 11 -4.705 -0.027 3.470
92 2HB CYS 11 1HB CYS 11 -4.146 -0.708 4.986
93 H ARG 12 H ARG 12 -5.674 -1.546 1.849
94 HA ARG 12 HA ARG 12 -7.478 -3.048 3.391
95 1HB ARG 12 2HB ARG 12 -9.079 -2.722 1.647
96 2HB ARG 12 1HB ARG 12 -8.133 -1.251 1.803
97 1HG ARG 12 2HG ARG 12 -6.779 -1.991 -0.148
98 2HG ARG 12 1HG ARG 12 -7.891 -3.349 -0.338
99 1HD ARG 12 2HD ARG 12 -8.584 -1.629 -1.838
100 2HD ARG 12 1HD ARG 12 -9.753 -1.691 -0.518
101 HE ARG 12 HE ARG 12 -7.756 0.207 0.080
102 1HH1 ARG 12 1HH1 ARG 12 -10.491 -0.265 -2.054
103 2HH1 ARG 12 2HH1 ARG 12 -10.815 1.428 -2.230
104 1HH2 ARG 12 1HH2 ARG 12 -8.182 2.444 -0.141
105 2HH2 ARG 12 2HH2 ARG 12 -9.493 2.976 -1.138
106 H ALA 13 H ALA 13 -5.484 -3.967 0.633
107 HA ALA 13 HA ALA 13 -6.718 -6.592 0.524
108 1HB ALA 13 1HB ALA 13 -5.201 -7.023 -1.335
109 2HB ALA 13 2HB ALA 13 -4.378 -5.494 -1.026
110 3HB ALA 13 3HB ALA 13 -6.058 -5.498 -1.561
111 H GLY 14 H GLY 14 -4.646 -5.215 2.546
112 1HA GLY 14 2HA GLY 14 -3.138 -5.977 4.096
113 2HA GLY 14 1HA GLY 14 -3.752 -7.573 3.748
114 H ILE 15 H ILE 15 -2.450 -5.808 1.157
115 HA ILE 15 HA ILE 15 -0.197 -7.663 1.065
116 HB ILE 15 HB ILE 15 0.152 -6.843 -1.250
117 1HG1 ILE 15 2HG1 ILE 15 -2.357 -5.242 -0.698
118 2HG1 ILE 15 1HG1 ILE 15 -0.747 -4.586 -0.979
119 1HG2 ILE 15 1HG2 ILE 15 -1.894 -8.487 -0.271
120 2HG2 ILE 15 2HG2 ILE 15 -1.187 -8.494 -1.887
121 3HG2 ILE 15 3HG2 ILE 15 -2.620 -7.521 -1.556
122 1HD1 ILE 15 1HD1 ILE 15 -2.278 -6.198 -3.004
123 2HD1 ILE 15 2HD1 ILE 15 -0.783 -5.297 -3.253
124 3HD1 ILE 15 3HD1 ILE 15 -2.287 -4.436 -2.922
125 H GLY 16 H GLY 16 -0.612 -5.231 2.762
126 1HA GLY 16 2HA GLY 16 1.169 -3.189 2.011
127 2HA GLY 16 1HA GLY 16 0.699 -3.567 3.662
128 H HIS 17 H HIS 17 1.738 -6.175 3.821
129 HA HIS 17 HA HIS 17 4.481 -5.542 4.324
130 1HB HIS 17 2HB HIS 17 2.925 -8.110 4.602
131 2HB HIS 17 1HB HIS 17 4.629 -7.967 5.021
132 HD1 HIS 17 1HD HIS 17 4.881 -5.572 6.670
133 HD2 HIS 17 2HD HIS 17 1.479 -7.948 6.871
134 HE1 HIS 17 1HE HIS 17 3.841 -5.067 8.900
135 H LYS 18 H LYS 18 2.805 -6.735 1.646
136 HA LYS 18 HA LYS 18 5.024 -8.203 0.523
137 1HB LYS 18 2HB LYS 18 2.343 -7.411 -0.619
138 2HB LYS 18 1HB LYS 18 3.536 -8.371 -1.482
139 1HG LYS 18 2HG LYS 18 3.344 -10.151 0.111
140 2HG LYS 18 1HG LYS 18 2.299 -9.171 1.144
141 1HD LYS 18 2HD LYS 18 1.007 -10.789 -0.169
142 2HD LYS 18 1HD LYS 18 0.595 -9.129 -0.601
143 1HE LYS 18 2HE LYS 18 2.143 -9.310 -2.536
144 2HE LYS 18 1HE LYS 18 2.393 -11.006 -2.130
145 1HZ LYS 18 1HZ LYS 18 0.533 -11.539 -3.185
146 2HZ LYS 18 2HZ LYS 18 0.391 -9.937 -3.708
147 3HZ LYS 18 3HZ LYS 18 -0.374 -10.429 -2.282
148 H TYR 19 H TYR 19 3.472 -5.068 0.130
149 HA TYR 19 HA TYR 19 5.335 -4.361 -2.012
150 1HB TYR 19 2HB TYR 19 2.921 -2.949 -0.864
151 2HB TYR 19 1HB TYR 19 3.966 -2.230 -2.084
152 HD1 TYR 19 1HD TYR 19 2.806 -5.767 -1.859
153 HD2 TYR 19 2HD TYR 19 2.560 -2.073 -3.953
154 HE1 TYR 19 1HE TYR 19 1.500 -6.864 -3.622
155 HE2 TYR 19 2HE TYR 19 1.250 -3.165 -5.728
156 HH TYR 19 HH TYR 19 0.467 -5.102 -6.517
157 HA PRO 20 HA PRO 20 8.135 -2.831 1.184
158 1HB PRO 20 2HB PRO 20 9.798 -1.649 -0.728
159 2HB PRO 20 1HB PRO 20 9.964 -3.278 -0.066
160 1HG PRO 20 2HG PRO 20 8.711 -2.387 -2.622
161 2HG PRO 20 1HG PRO 20 9.664 -3.844 -2.283
162 1HD PRO 20 2HD PRO 20 7.007 -3.960 -2.530
163 2HD PRO 20 1HD PRO 20 7.855 -4.948 -1.319
164 H PHE 21 H PHE 21 7.259 -0.796 -1.615
165 HA PHE 21 HA PHE 21 7.796 1.637 -0.269
166 1HB PHE 21 2HB PHE 21 6.451 2.652 -2.185
167 2HB PHE 21 1HB PHE 21 7.899 1.753 -2.612
168 HD1 PHE 21 1HD PHE 21 4.208 1.337 -2.293
169 HD2 PHE 21 2HD PHE 21 7.796 0.124 -4.231
170 HE1 PHE 21 1HE PHE 21 2.896 -0.042 -3.847
171 HE2 PHE 21 2HE PHE 21 6.490 -1.259 -5.790
172 HZ PHE 21 HZ PHE 21 4.036 -1.343 -5.600
173 H CYS 22 H CYS 22 5.135 -0.501 -0.154
174 HA CYS 22 HA CYS 22 3.646 1.498 1.406
175 1HB CYS 22 2HB CYS 22 2.553 -0.450 -0.625
176 2HB CYS 22 1HB CYS 22 1.541 0.297 0.606
177 H HIS 23 H HIS 23 5.314 0.092 2.741
178 HA HIS 23 HA HIS 23 4.563 -2.507 3.549
179 1HB HIS 23 2HB HIS 23 6.129 -2.041 5.511
180 2HB HIS 23 1HB HIS 23 6.826 -1.971 3.898
181 HD1 HIS 23 1HD HIS 23 7.379 0.450 2.962
182 HD2 HIS 23 2HD HIS 23 6.328 0.273 6.987
183 HE1 HIS 23 1HE HIS 23 8.038 2.674 3.934
184 H CYS 24 H CYS 24 2.292 -1.419 3.649
185 HA CYS 24 HA CYS 24 1.506 -0.292 6.170
186 1HB CYS 24 2HB CYS 24 0.453 0.106 3.896
187 2HB CYS 24 1HB CYS 24 -0.238 -1.505 4.030
188 H ARG 25 H ARG 25 -0.662 -1.460 6.999
189 HA ARG 25 HA ARG 25 0.229 -3.772 8.375
190 1HB ARG 25 2HB ARG 25 -2.561 -2.640 8.080
191 2HB ARG 25 1HB ARG 25 -2.104 -3.898 9.219
192 1HG ARG 25 2HG ARG 25 -1.018 -1.088 9.189
193 2HG ARG 25 1HG ARG 25 -2.257 -1.703 10.285
194 1HD ARG 25 2HD ARG 25 0.587 -2.695 10.081
195 2HD ARG 25 1HD ARG 25 -0.060 -1.664 11.357
196 HE ARG 25 HE ARG 25 -1.600 -4.009 11.200
197 1HH1 ARG 25 1HH1 ARG 25 1.588 -2.944 12.160
198 2HH1 ARG 25 2HH1 ARG 25 1.808 -4.206 13.325
199 1HH2 ARG 25 1HH2 ARG 25 -1.320 -5.693 12.734
200 2HH2 ARG 25 2HH2 ARG 25 0.149 -5.781 13.649
201 1HN NH2 26 1H ARG 25 -2.656 -5.008 5.791
202 2HN NH2 26 2H ARG 25 -2.025 -3.413 5.591
Start of MODEL 18
1 1H PHE 1 1HT PHE 1 4.385 10.715 7.497
2 2H PHE 1 2HT PHE 1 3.200 11.124 6.362
3 3H PHE 1 3HT PHE 1 4.500 12.169 6.638
4 HA PHE 1 HA PHE 1 5.918 11.011 5.364
5 1HB PHE 1 2HB PHE 1 5.852 9.095 6.902
6 2HB PHE 1 1HB PHE 1 4.344 8.549 6.180
7 HD1 PHE 1 1HD PHE 1 7.692 9.592 4.873
8 HD2 PHE 1 2HD PHE 1 4.595 6.674 4.909
9 HE1 PHE 1 1HE PHE 1 8.957 8.234 3.258
10 HE2 PHE 1 2HE PHE 1 5.855 5.311 3.294
11 HZ PHE 1 HZ PHE 1 8.038 6.092 2.465
12 HA PRO 2 HA PRO 2 3.094 11.356 1.892
13 1HB PRO 2 2HB PRO 2 5.398 11.525 0.157
14 2HB PRO 2 1HB PRO 2 4.295 12.812 0.643
15 1HG PRO 2 2HG PRO 2 6.917 12.675 1.419
16 2HG PRO 2 1HG PRO 2 5.653 13.505 2.343
17 1HD PRO 2 2HD PRO 2 6.849 10.794 2.771
18 2HD PRO 2 1HD PRO 2 6.389 12.027 3.964
19 H ARG 3 H ARG 3 2.856 8.946 2.488
20 HA ARG 3 HA ARG 3 4.294 7.058 0.919
21 1HB ARG 3 2HB ARG 3 2.586 5.432 1.739
22 2HB ARG 3 1HB ARG 3 3.410 6.317 3.010
23 1HG ARG 3 2HG ARG 3 1.218 6.301 3.727
24 2HG ARG 3 1HG ARG 3 1.352 7.877 2.944
25 1HD ARG 3 2HD ARG 3 0.227 7.105 1.007
26 2HD ARG 3 1HD ARG 3 0.344 5.425 1.525
27 HE ARG 3 HE ARG 3 -1.108 6.842 3.449
28 1HH1 ARG 3 1HH1 ARG 3 -1.382 5.861 0.113
29 2HH1 ARG 3 2HH1 ARG 3 -3.112 5.697 0.163
30 1HH2 ARG 3 1HH2 ARG 3 -3.404 6.629 3.527
31 2HH2 ARG 3 2HH2 ARG 3 -4.261 6.123 2.104
32 HA PRO 4 HA PRO 4 2.360 7.221 -3.005
33 1HB PRO 4 2HB PRO 4 2.357 4.250 -2.889
34 2HB PRO 4 1HB PRO 4 3.041 5.331 -4.109
35 1HG PRO 4 2HG PRO 4 4.615 4.067 -2.371
36 2HG PRO 4 1HG PRO 4 4.953 5.737 -2.866
37 1HD PRO 4 2HD PRO 4 3.762 4.717 -0.323
38 2HD PRO 4 1HD PRO 4 4.881 6.070 -0.584
39 H ARG 5 H ARG 5 0.417 6.930 -4.069
40 HA ARG 5 HA ARG 5 -1.901 6.695 -2.497
41 1HB ARG 5 2HB ARG 5 -3.138 6.772 -4.631
42 2HB ARG 5 1HB ARG 5 -1.906 8.018 -4.528
43 1HG ARG 5 2HG ARG 5 -0.456 6.780 -5.994
44 2HG ARG 5 1HG ARG 5 -1.575 5.415 -6.005
45 1HD ARG 5 2HD ARG 5 -3.279 6.840 -7.056
46 2HD ARG 5 1HD ARG 5 -2.137 8.182 -7.070
47 HE ARG 5 HE ARG 5 -2.243 5.968 -8.891
48 1HH1 ARG 5 1HH1 ARG 5 -0.173 8.444 -7.526
49 2HH1 ARG 5 2HH1 ARG 5 1.002 8.346 -8.796
50 1HH2 ARG 5 1HH2 ARG 5 -0.694 5.838 -10.572
51 2HH2 ARG 5 2HH2 ARG 5 0.703 6.860 -10.533
52 H ILE 6 H ILE 6 -0.024 4.361 -4.192
53 HA ILE 6 HA ILE 6 -1.879 2.298 -4.596
54 HB ILE 6 HB ILE 6 1.029 1.971 -3.887
55 1HG1 ILE 6 2HG1 ILE 6 -0.202 2.456 -6.611
56 2HG1 ILE 6 1HG1 ILE 6 0.733 3.633 -5.696
57 1HG2 ILE 6 1HG2 ILE 6 0.934 -0.145 -4.765
58 2HG2 ILE 6 2HG2 ILE 6 -0.416 0.240 -5.832
59 3HG2 ILE 6 3HG2 ILE 6 -0.696 -0.005 -4.107
60 1HD1 ILE 6 1HD1 ILE 6 2.637 1.962 -5.778
61 2HD1 ILE 6 2HD1 ILE 6 2.203 2.756 -7.292
62 3HD1 ILE 6 3HD1 ILE 6 1.683 1.099 -6.983
63 H CYS 7 H CYS 7 -0.110 3.326 -1.772
64 HA CYS 7 HA CYS 7 -0.246 1.128 -0.125
65 1HB CYS 7 2HB CYS 7 -0.559 4.044 0.581
66 2HB CYS 7 1HB CYS 7 -0.297 2.767 1.752
67 H ASN 8 H ASN 8 -2.790 3.284 -1.081
68 HA ASN 8 HA ASN 8 -4.670 2.778 0.940
69 1HB ASN 8 2HB ASN 8 -5.096 3.438 -1.978
70 2HB ASN 8 1HB ASN 8 -6.409 3.330 -0.813
71 1HD2 ASN 8 1HD2 ASN 8 -4.861 5.503 -2.438
72 2HD2 ASN 8 2HD2 ASN 8 -4.743 6.791 -1.291
73 H LEU 9 H LEU 9 -4.249 1.142 -2.198
74 HA LEU 9 HA LEU 9 -6.200 -0.848 -1.553
75 1HB LEU 9 2HB LEU 9 -5.485 -1.954 -3.628
76 2HB LEU 9 1HB LEU 9 -5.885 -0.268 -3.868
77 HG LEU 9 HG LEU 9 -3.244 -0.002 -3.569
78 1HD1 LEU 9 1HD1 LEU 9 -2.565 -2.205 -3.228
79 2HD1 LEU 9 2HD1 LEU 9 -2.244 -1.925 -4.940
80 3HD1 LEU 9 3HD1 LEU 9 -3.673 -2.836 -4.447
81 1HD2 LEU 9 1HD2 LEU 9 -3.829 0.895 -5.528
82 2HD2 LEU 9 2HD2 LEU 9 -5.061 -0.331 -5.827
83 3HD2 LEU 9 3HD2 LEU 9 -3.374 -0.662 -6.222
84 H ALA 10 H ALA 10 -2.772 -0.490 -1.234
85 HA ALA 10 HA ALA 10 -2.037 -3.162 -0.826
86 1HB ALA 10 1HB ALA 10 -0.712 -0.935 0.672
87 2HB ALA 10 2HB ALA 10 -0.568 -1.045 -1.083
88 3HB ALA 10 3HB ALA 10 0.003 -2.369 -0.069
89 H CYS 11 H CYS 11 -3.071 -0.684 1.520
90 HA CYS 11 HA CYS 11 -2.847 -2.379 3.788
91 1HB CYS 11 2HB CYS 11 -4.658 0.025 3.440
92 2HB CYS 11 1HB CYS 11 -4.195 -0.706 4.965
93 H ARG 12 H ARG 12 -5.514 -1.536 1.634
94 HA ARG 12 HA ARG 12 -7.590 -2.794 2.999
95 1HB ARG 12 2HB ARG 12 -7.964 -1.221 1.177
96 2HB ARG 12 1HB ARG 12 -7.263 -2.355 0.031
97 1HG ARG 12 2HG ARG 12 -9.080 -3.926 0.468
98 2HG ARG 12 1HG ARG 12 -9.786 -2.788 1.618
99 1HD ARG 12 2HD ARG 12 -10.077 -1.150 -0.166
100 2HD ARG 12 1HD ARG 12 -9.337 -2.259 -1.319
101 HE ARG 12 HE ARG 12 -11.350 -3.289 -1.527
102 1HH1 ARG 12 1HH1 ARG 12 -11.359 -1.555 1.516
103 2HH1 ARG 12 2HH1 ARG 12 -12.994 -1.976 1.901
104 1HH2 ARG 12 1HH2 ARG 12 -13.513 -3.844 -1.025
105 2HH2 ARG 12 2HH2 ARG 12 -14.223 -3.280 0.451
106 H ALA 13 H ALA 13 -5.503 -4.093 0.431
107 HA ALA 13 HA ALA 13 -6.761 -6.696 0.681
108 1HB ALA 13 1HB ALA 13 -4.322 -6.245 -0.973
109 2HB ALA 13 2HB ALA 13 -5.856 -5.535 -1.482
110 3HB ALA 13 3HB ALA 13 -5.715 -7.283 -1.280
111 H GLY 14 H GLY 14 -4.654 -5.148 2.518
112 1HA GLY 14 2HA GLY 14 -3.125 -5.776 4.112
113 2HA GLY 14 1HA GLY 14 -3.730 -7.399 3.899
114 H ILE 15 H ILE 15 -2.489 -5.814 1.167
115 HA ILE 15 HA ILE 15 -0.253 -7.678 1.115
116 HB ILE 15 HB ILE 15 0.094 -6.844 -1.227
117 1HG1 ILE 15 2HG1 ILE 15 -2.511 -5.401 -0.674
118 2HG1 ILE 15 1HG1 ILE 15 -0.950 -4.646 -0.982
119 1HG2 ILE 15 1HG2 ILE 15 -1.902 -8.000 -2.141
120 2HG2 ILE 15 2HG2 ILE 15 -2.590 -8.015 -0.517
121 3HG2 ILE 15 3HG2 ILE 15 -1.099 -8.894 -0.850
122 1HD1 ILE 15 1HD1 ILE 15 -2.933 -5.301 -2.837
123 2HD1 ILE 15 2HD1 ILE 15 -1.611 -6.434 -3.121
124 3HD1 ILE 15 3HD1 ILE 15 -1.309 -4.696 -3.163
125 H GLY 16 H GLY 16 -0.609 -5.156 2.721
126 1HA GLY 16 2HA GLY 16 1.262 -3.222 1.870
127 2HA GLY 16 1HA GLY 16 0.758 -3.488 3.536
128 H HIS 17 H HIS 17 1.612 -6.080 3.906
129 HA HIS 17 HA HIS 17 4.339 -5.669 4.496
130 1HB HIS 17 2HB HIS 17 4.355 -8.044 5.210
131 2HB HIS 17 1HB HIS 17 3.030 -7.128 5.905
132 HD1 HIS 17 1HD HIS 17 2.363 -9.838 6.213
133 HD2 HIS 17 2HD HIS 17 1.857 -8.091 2.475
134 HE1 HIS 17 1HE HIS 17 0.743 -11.320 4.990
135 H LYS 18 H LYS 18 2.800 -6.692 1.656
136 HA LYS 18 HA LYS 18 5.123 -8.109 0.631
137 1HB LYS 18 2HB LYS 18 2.787 -8.916 0.218
138 2HB LYS 18 1HB LYS 18 2.507 -7.479 -0.750
139 1HG LYS 18 2HG LYS 18 4.803 -9.229 -1.462
140 2HG LYS 18 1HG LYS 18 3.171 -9.781 -1.839
141 1HD LYS 18 2HD LYS 18 2.767 -7.693 -3.071
142 2HD LYS 18 1HD LYS 18 4.412 -7.170 -2.710
143 1HE LYS 18 2HE LYS 18 5.306 -9.060 -3.949
144 2HE LYS 18 1HE LYS 18 3.674 -9.646 -4.266
145 1HZ LYS 18 1HZ LYS 18 4.507 -8.467 -6.172
146 2HZ LYS 18 2HZ LYS 18 4.845 -7.097 -5.241
147 3HZ LYS 18 3HZ LYS 18 3.242 -7.577 -5.486
148 H TYR 19 H TYR 19 3.476 -5.027 0.281
149 HA TYR 19 HA TYR 19 5.190 -4.258 -1.946
150 1HB TYR 19 2HB TYR 19 2.878 -2.930 -0.555
151 2HB TYR 19 1HB TYR 19 3.897 -2.037 -1.677
152 HD1 TYR 19 1HD TYR 19 2.641 -1.677 -3.593
153 HD2 TYR 19 2HD TYR 19 2.601 -5.539 -1.814
154 HE1 TYR 19 1HE TYR 19 1.336 -2.536 -5.495
155 HE2 TYR 19 2HE TYR 19 1.299 -6.407 -3.705
156 HH TYR 19 HH TYR 19 -0.216 -4.424 -5.969
157 HA PRO 20 HA PRO 20 8.327 -2.778 0.896
158 1HB PRO 20 2HB PRO 20 9.818 -1.573 -1.103
159 2HB PRO 20 1HB PRO 20 9.957 -3.263 -0.610
160 1HG PRO 20 2HG PRO 20 8.461 -2.075 -2.907
161 2HG PRO 20 1HG PRO 20 9.402 -3.576 -2.836
162 1HD PRO 20 2HD PRO 20 6.724 -3.600 -2.753
163 2HD PRO 20 1HD PRO 20 7.689 -4.748 -1.799
164 H PHE 21 H PHE 21 7.145 -0.686 -1.741
165 HA PHE 21 HA PHE 21 7.748 1.704 -0.272
166 1HB PHE 21 2HB PHE 21 6.542 2.827 -2.200
167 2HB PHE 21 1HB PHE 21 7.970 1.891 -2.618
168 HD1 PHE 21 1HD PHE 21 4.264 1.476 -2.350
169 HD2 PHE 21 2HD PHE 21 7.853 0.464 -4.402
170 HE1 PHE 21 1HE PHE 21 2.958 0.210 -4.003
171 HE2 PHE 21 2HE PHE 21 6.552 -0.805 -6.058
172 HZ PHE 21 HZ PHE 21 4.101 -0.932 -5.862
173 H CYS 22 H CYS 22 5.397 -0.492 0.178
174 HA CYS 22 HA CYS 22 3.700 1.445 1.534
175 1HB CYS 22 2HB CYS 22 2.723 -0.386 -0.659
176 2HB CYS 22 1HB CYS 22 1.648 0.177 0.613
177 H HIS 23 H HIS 23 5.343 0.012 2.863
178 HA HIS 23 HA HIS 23 4.606 -2.652 3.461
179 1HB HIS 23 2HB HIS 23 6.870 -1.451 3.823
180 2HB HIS 23 1HB HIS 23 6.166 -0.912 5.346
181 HD1 HIS 23 1HD HIS 23 6.460 -4.262 3.541
182 HD2 HIS 23 2HD HIS 23 6.828 -2.605 7.340
183 HE1 HIS 23 1HE HIS 23 7.125 -6.164 5.044
184 H CYS 24 H CYS 24 2.311 -1.514 3.586
185 HA CYS 24 HA CYS 24 1.495 -0.629 6.196
186 1HB CYS 24 2HB CYS 24 0.481 -0.004 3.937
187 2HB CYS 24 1HB CYS 24 -0.251 -1.604 3.939
188 H ARG 25 H ARG 25 -0.700 -1.869 6.858
189 HA ARG 25 HA ARG 25 0.215 -4.435 7.790
190 1HB ARG 25 2HB ARG 25 -2.451 -3.056 8.174
191 2HB ARG 25 1HB ARG 25 -1.926 -4.508 9.016
192 1HG ARG 25 2HG ARG 25 -0.063 -3.229 10.001
193 2HG ARG 25 1HG ARG 25 -0.676 -1.775 9.208
194 1HD ARG 25 2HD ARG 25 -2.793 -2.026 10.436
195 2HD ARG 25 1HD ARG 25 -2.142 -3.447 11.250
196 HE ARG 25 HE ARG 25 -1.701 -0.738 11.948
197 1HH1 ARG 25 1HH1 ARG 25 -0.079 -3.844 11.853
198 2HH1 ARG 25 2HH1 ARG 25 1.055 -3.437 13.097
199 1HH2 ARG 25 1HH2 ARG 25 -0.208 -0.199 13.595
200 2HH2 ARG 25 2HH2 ARG 25 0.979 -1.359 14.092
201 1HN NH2 26 1H ARG 25 -3.241 -5.292 6.769
202 2HN NH2 26 2H ARG 25 -2.994 -3.989 5.661
Start of MODEL 19
1 1H PHE 1 1HT PHE 1 10.411 9.886 4.347
2 2H PHE 1 2HT PHE 1 10.203 8.570 5.389
3 3H PHE 1 3HT PHE 1 8.854 9.332 4.709
4 HA PHE 1 HA PHE 1 10.796 8.309 2.822
5 1HB PHE 1 2HB PHE 1 10.791 6.545 4.529
6 2HB PHE 1 1HB PHE 1 9.032 6.517 4.519
7 HD1 PHE 1 1HD PHE 1 11.741 6.328 1.944
8 HD2 PHE 1 2HD PHE 1 8.140 4.681 3.502
9 HE1 PHE 1 1HE PHE 1 11.777 4.603 0.191
10 HE2 PHE 1 2HE PHE 1 8.170 2.952 1.753
11 HZ PHE 1 HZ PHE 1 9.990 2.911 0.095
12 HA PRO 2 HA PRO 2 7.129 9.570 0.573
13 1HB PRO 2 2HB PRO 2 8.520 8.596 -1.806
14 2HB PRO 2 1HB PRO 2 8.060 10.246 -1.385
15 1HG PRO 2 2HG PRO 2 10.635 9.423 -1.420
16 2HG PRO 2 1HG PRO 2 10.044 10.665 -0.302
17 1HD PRO 2 2HD PRO 2 10.577 7.759 0.202
18 2HD PRO 2 1HD PRO 2 10.946 9.166 1.223
19 H ARG 3 H ARG 3 5.330 8.476 -0.054
20 HA ARG 3 HA ARG 3 5.617 5.687 -0.896
21 1HB ARG 3 2HB ARG 3 3.755 6.668 1.267
22 2HB ARG 3 1HB ARG 3 3.652 5.080 0.524
23 1HG ARG 3 2HG ARG 3 5.983 4.649 1.300
24 2HG ARG 3 1HG ARG 3 5.907 6.170 2.186
25 1HD ARG 3 2HD ARG 3 3.972 3.892 2.571
26 2HD ARG 3 1HD ARG 3 5.415 4.132 3.550
27 HE ARG 3 HE ARG 3 4.408 5.966 4.571
28 1HH1 ARG 3 1HH1 ARG 3 2.322 4.600 2.117
29 2HH1 ARG 3 2HH1 ARG 3 0.916 5.458 2.655
30 1HH2 ARG 3 1HH2 ARG 3 2.554 7.101 5.285
31 2HH2 ARG 3 2HH2 ARG 3 1.047 6.882 4.460
32 HA PRO 4 HA PRO 4 2.824 7.007 -4.038
33 1HB PRO 4 2HB PRO 4 2.116 4.549 -4.961
34 2HB PRO 4 1HB PRO 4 3.672 5.307 -5.317
35 1HG PRO 4 2HG PRO 4 3.001 3.218 -3.290
36 2HG PRO 4 1HG PRO 4 4.422 3.344 -4.342
37 1HD PRO 4 2HD PRO 4 4.450 4.058 -1.721
38 2HD PRO 4 1HD PRO 4 5.480 4.830 -2.940
39 H ARG 5 H ARG 5 0.566 6.645 -4.744
40 HA ARG 5 HA ARG 5 -1.190 6.696 -2.513
41 1HB ARG 5 2HB ARG 5 -1.888 6.493 -5.447
42 2HB ARG 5 1HB ARG 5 -2.981 6.960 -4.152
43 1HG ARG 5 2HG ARG 5 -0.563 8.490 -5.094
44 2HG ARG 5 1HG ARG 5 -2.251 8.904 -5.386
45 1HD ARG 5 2HD ARG 5 -1.674 10.296 -3.622
46 2HD ARG 5 1HD ARG 5 -2.449 8.938 -2.808
47 HE ARG 5 HE ARG 5 0.267 8.377 -2.900
48 1HH1 ARG 5 1HH1 ARG 5 -1.827 10.785 -1.473
49 2HH1 ARG 5 2HH1 ARG 5 -0.770 11.107 -0.140
50 1HH2 ARG 5 1HH2 ARG 5 1.686 8.793 -1.143
51 2HH2 ARG 5 2HH2 ARG 5 1.233 9.975 0.045
52 H ILE 6 H ILE 6 -0.061 4.229 -4.592
53 HA ILE 6 HA ILE 6 -2.000 2.287 -4.671
54 HB ILE 6 HB ILE 6 0.895 1.704 -4.115
55 1HG1 ILE 6 2HG1 ILE 6 -0.376 2.364 -6.784
56 2HG1 ILE 6 1HG1 ILE 6 0.687 3.438 -5.881
57 1HG2 ILE 6 1HG2 ILE 6 -1.395 0.135 -4.932
58 2HG2 ILE 6 2HG2 ILE 6 0.195 -0.393 -4.382
59 3HG2 ILE 6 3HG2 ILE 6 -0.064 -0.003 -6.082
60 1HD1 ILE 6 1HD1 ILE 6 1.354 1.366 -7.726
61 2HD1 ILE 6 2HD1 ILE 6 2.066 1.011 -6.152
62 3HD1 ILE 6 3HD1 ILE 6 2.404 2.548 -6.946
63 H CYS 7 H CYS 7 -0.126 3.313 -1.942
64 HA CYS 7 HA CYS 7 -0.212 1.154 -0.238
65 1HB CYS 7 2HB CYS 7 -0.502 4.098 0.347
66 2HB CYS 7 1HB CYS 7 -0.304 2.882 1.595
67 H ASN 8 H ASN 8 -2.785 3.246 -1.243
68 HA ASN 8 HA ASN 8 -4.649 2.826 0.803
69 1HB ASN 8 2HB ASN 8 -6.307 3.641 -0.680
70 2HB ASN 8 1HB ASN 8 -4.828 4.470 -1.116
71 1HD2 ASN 8 1HD2 ASN 8 -7.482 3.296 -2.399
72 2HD2 ASN 8 2HD2 ASN 8 -6.904 2.760 -3.936
73 H LEU 9 H LEU 9 -4.354 1.101 -2.274
74 HA LEU 9 HA LEU 9 -6.240 -0.904 -1.522
75 1HB LEU 9 2HB LEU 9 -5.559 -2.068 -3.571
76 2HB LEU 9 1HB LEU 9 -5.948 -0.387 -3.859
77 HG LEU 9 HG LEU 9 -3.302 -0.136 -3.594
78 1HD1 LEU 9 1HD1 LEU 9 -2.143 -2.000 -4.628
79 2HD1 LEU 9 2HD1 LEU 9 -3.649 -2.911 -4.719
80 3HD1 LEU 9 3HD1 LEU 9 -2.948 -2.523 -3.148
81 1HD2 LEU 9 1HD2 LEU 9 -3.897 -1.130 -6.251
82 2HD2 LEU 9 2HD2 LEU 9 -3.472 0.497 -5.720
83 3HD2 LEU 9 3HD2 LEU 9 -5.149 -0.044 -5.647
84 H ALA 10 H ALA 10 -2.808 -0.519 -1.270
85 HA ALA 10 HA ALA 10 -2.041 -3.165 -0.777
86 1HB ALA 10 1HB ALA 10 -0.901 -0.541 0.139
87 2HB ALA 10 2HB ALA 10 -0.311 -1.617 -1.128
88 3HB ALA 10 3HB ALA 10 -0.165 -2.085 0.568
89 H CYS 11 H CYS 11 -3.138 -0.645 1.504
90 HA CYS 11 HA CYS 11 -2.939 -2.334 3.799
91 1HB CYS 11 2HB CYS 11 -4.759 0.062 3.475
92 2HB CYS 11 1HB CYS 11 -4.197 -0.636 4.978
93 H ARG 12 H ARG 12 -5.485 -1.522 1.526
94 HA ARG 12 HA ARG 12 -7.679 -2.625 2.835
95 1HB ARG 12 2HB ARG 12 -8.024 -1.197 0.956
96 2HB ARG 12 1HB ARG 12 -7.104 -2.259 -0.100
97 1HG ARG 12 2HG ARG 12 -9.468 -2.469 -0.549
98 2HG ARG 12 1HG ARG 12 -8.841 -3.974 0.122
99 1HD ARG 12 2HD ARG 12 -9.691 -3.283 2.345
100 2HD ARG 12 1HD ARG 12 -10.400 -1.853 1.597
101 HE ARG 12 HE ARG 12 -12.122 -3.145 0.857
102 1HH1 ARG 12 1HH1 ARG 12 -9.474 -5.279 1.743
103 2HH1 ARG 12 2HH1 ARG 12 -10.374 -6.725 1.422
104 1HH2 ARG 12 1HH2 ARG 12 -13.303 -5.061 0.444
105 2HH2 ARG 12 2HH2 ARG 12 -12.552 -6.603 0.686
106 H ALA 13 H ALA 13 -5.469 -4.178 0.520
107 HA ALA 13 HA ALA 13 -6.843 -6.716 1.000
108 1HB ALA 13 1HB ALA 13 -6.554 -6.755 -1.226
109 2HB ALA 13 2HB ALA 13 -4.936 -7.328 -0.820
110 3HB ALA 13 3HB ALA 13 -5.204 -5.619 -1.172
111 H GLY 14 H GLY 14 -4.620 -5.129 2.606
112 1HA GLY 14 2HA GLY 14 -3.014 -5.719 4.139
113 2HA GLY 14 1HA GLY 14 -3.600 -7.356 3.972
114 H ILE 15 H ILE 15 -2.433 -5.641 1.247
115 HA ILE 15 HA ILE 15 -0.274 -7.562 0.945
116 HB ILE 15 HB ILE 15 -0.886 -5.324 -0.970
117 1HG1 ILE 15 2HG1 ILE 15 -2.985 -6.572 -0.520
118 2HG1 ILE 15 1HG1 ILE 15 -2.420 -6.780 -2.174
119 1HG2 ILE 15 1HG2 ILE 15 0.819 -7.680 -0.978
120 2HG2 ILE 15 2HG2 ILE 15 0.886 -6.229 -1.977
121 3HG2 ILE 15 3HG2 ILE 15 -0.194 -7.552 -2.416
122 1HD1 ILE 15 1HD1 ILE 15 -1.311 -8.860 -0.594
123 2HD1 ILE 15 2HD1 ILE 15 -2.474 -8.972 -1.916
124 3HD1 ILE 15 3HD1 ILE 15 -3.040 -8.762 -0.258
125 H GLY 16 H GLY 16 -0.578 -5.087 2.758
126 1HA GLY 16 2HA GLY 16 1.383 -3.196 2.145
127 2HA GLY 16 1HA GLY 16 0.881 -3.623 3.774
128 H HIS 17 H HIS 17 1.704 -6.300 3.800
129 HA HIS 17 HA HIS 17 4.452 -5.928 4.380
130 1HB HIS 17 2HB HIS 17 4.492 -8.336 4.949
131 2HB HIS 17 1HB HIS 17 3.198 -7.461 5.747
132 HD1 HIS 17 1HD HIS 17 2.660 -10.262 5.861
133 HD2 HIS 17 2HD HIS 17 1.775 -8.150 2.391
134 HE1 HIS 17 1HE HIS 17 0.949 -11.646 4.647
135 H LYS 18 H LYS 18 2.844 -6.775 1.488
136 HA LYS 18 HA LYS 18 5.197 -8.111 0.394
137 1HB LYS 18 2HB LYS 18 2.488 -7.523 -0.799
138 2HB LYS 18 1HB LYS 18 3.797 -8.293 -1.683
139 1HG LYS 18 2HG LYS 18 3.787 -10.137 -0.061
140 2HG LYS 18 1HG LYS 18 2.437 -9.370 0.778
141 1HD LYS 18 2HD LYS 18 1.075 -9.544 -1.246
142 2HD LYS 18 1HD LYS 18 2.425 -10.297 -2.096
143 1HE LYS 18 2HE LYS 18 2.369 -12.170 -0.525
144 2HE LYS 18 1HE LYS 18 1.027 -11.414 0.333
145 1HZ LYS 18 1HZ LYS 18 0.308 -11.546 -2.349
146 2HZ LYS 18 2HZ LYS 18 -0.343 -12.431 -1.062
147 3HZ LYS 18 3HZ LYS 18 0.950 -13.061 -1.952
148 H TYR 19 H TYR 19 3.519 -5.044 0.220
149 HA TYR 19 HA TYR 19 5.159 -4.126 -1.997
150 1HB TYR 19 2HB TYR 19 2.917 -2.900 -0.409
151 2HB TYR 19 1HB TYR 19 3.874 -1.941 -1.530
152 HD1 TYR 19 1HD TYR 19 1.591 -1.528 -2.577
153 HD2 TYR 19 2HD TYR 19 3.466 -5.346 -2.577
154 HE1 TYR 19 1HE TYR 19 0.146 -2.234 -4.435
155 HE2 TYR 19 2HE TYR 19 2.024 -6.061 -4.435
156 HH TYR 19 HH TYR 19 0.685 -4.562 -6.407
157 HA PRO 20 HA PRO 20 8.368 -2.795 0.861
158 1HB PRO 20 2HB PRO 20 9.398 -1.566 -1.634
159 2HB PRO 20 1HB PRO 20 10.204 -2.653 -0.498
160 1HG PRO 20 2HG PRO 20 9.396 -3.524 -2.886
161 2HG PRO 20 1HG PRO 20 9.269 -4.549 -1.445
162 1HD PRO 20 2HD PRO 20 7.138 -3.001 -2.865
163 2HD PRO 20 1HD PRO 20 7.060 -4.619 -2.136
164 H PHE 21 H PHE 21 7.127 -0.675 -1.701
165 HA PHE 21 HA PHE 21 7.715 1.713 -0.221
166 1HB PHE 21 2HB PHE 21 6.378 2.781 -2.141
167 2HB PHE 21 1HB PHE 21 7.899 1.992 -2.534
168 HD1 PHE 21 1HD PHE 21 7.860 0.894 -4.529
169 HD2 PHE 21 2HD PHE 21 4.340 0.881 -2.136
170 HE1 PHE 21 1HE PHE 21 6.719 -0.481 -6.218
171 HE2 PHE 21 2HE PHE 21 3.195 -0.496 -3.821
172 HZ PHE 21 HZ PHE 21 4.385 -1.179 -5.866
173 H CYS 22 H CYS 22 5.376 -0.531 0.227
174 HA CYS 22 HA CYS 22 3.676 1.400 1.593
175 1HB CYS 22 2HB CYS 22 2.670 -0.489 -0.542
176 2HB CYS 22 1HB CYS 22 1.616 0.193 0.689
177 H HIS 23 H HIS 23 5.277 -0.020 3.012
178 HA HIS 23 HA HIS 23 4.394 -2.658 3.630
179 1HB HIS 23 2HB HIS 23 6.404 -0.803 4.835
180 2HB HIS 23 1HB HIS 23 5.886 -2.224 5.738
181 HD1 HIS 23 1HD HIS 23 5.723 -4.270 3.453
182 HD2 HIS 23 2HD HIS 23 8.860 -1.588 3.953
183 HE1 HIS 23 1HE HIS 23 7.703 -5.336 2.331
184 H CYS 24 H CYS 24 2.193 -1.485 3.700
185 HA CYS 24 HA CYS 24 1.391 -0.394 6.230
186 1HB CYS 24 2HB CYS 24 0.420 0.120 3.937
187 2HB CYS 24 1HB CYS 24 -0.359 -1.453 4.017
188 H ARG 25 H ARG 25 -0.753 -1.441 7.104
189 HA ARG 25 HA ARG 25 -0.022 -3.907 8.288
190 1HB ARG 25 2HB ARG 25 -2.384 -3.875 9.176
191 2HB ARG 25 1HB ARG 25 -1.421 -2.453 9.549
192 1HG ARG 25 2HG ARG 25 -2.552 -1.152 7.922
193 2HG ARG 25 1HG ARG 25 -3.336 -2.575 7.237
194 1HD ARG 25 2HD ARG 25 -4.560 -2.890 9.348
195 2HD ARG 25 1HD ARG 25 -3.798 -1.438 9.994
196 HE ARG 25 HE ARG 25 -5.408 -0.244 8.936
197 1HH1 ARG 25 1HH1 ARG 25 -4.992 -3.237 7.157
198 2HH1 ARG 25 2HH1 ARG 25 -6.204 -2.861 5.979
199 1HH2 ARG 25 1HH2 ARG 25 -7.023 0.253 7.391
200 2HH2 ARG 25 2HH2 ARG 25 -7.373 -0.875 6.124
201 1HN NH2 26 1H ARG 25 0.081 -5.766 6.998
202 2HN NH2 26 2H ARG 25 -1.462 -6.477 6.686
Start of MODEL 20
1 1H PHE 1 1HT PHE 1 6.638 13.934 4.008
2 2H PHE 1 2HT PHE 1 7.698 12.617 3.976
3 3H PHE 1 3HT PHE 1 6.027 12.357 4.052
4 HA PHE 1 HA PHE 1 6.714 13.966 1.823
5 1HB PHE 1 2HB PHE 1 7.784 12.008 0.577
6 2HB PHE 1 1HB PHE 1 8.801 12.850 1.735
7 HD1 PHE 1 1HD PHE 1 6.494 9.904 1.602
8 HD2 PHE 1 2HD PHE 1 10.082 11.593 3.148
9 HE1 PHE 1 1HE PHE 1 7.022 7.768 2.701
10 HE2 PHE 1 2HE PHE 1 10.616 9.460 4.249
11 HZ PHE 1 HZ PHE 1 9.085 7.544 4.027
12 HA PRO 2 HA PRO 2 2.815 12.338 0.598
13 1HB PRO 2 2HB PRO 2 3.176 12.078 -2.123
14 2HB PRO 2 1HB PRO 2 2.798 13.595 -1.302
15 1HG PRO 2 2HG PRO 2 5.442 12.543 -2.222
16 2HG PRO 2 1HG PRO 2 4.796 14.193 -2.319
17 1HD PRO 2 2HD PRO 2 6.581 13.506 -0.445
18 2HD PRO 2 1HD PRO 2 5.262 14.639 -0.089
19 H ARG 3 H ARG 3 1.740 10.446 -0.046
20 HA ARG 3 HA ARG 3 3.465 8.122 -0.562
21 1HB ARG 3 2HB ARG 3 2.062 8.565 1.760
22 2HB ARG 3 1HB ARG 3 0.930 7.593 0.832
23 1HG ARG 3 2HG ARG 3 2.145 6.054 2.096
24 2HG ARG 3 1HG ARG 3 2.862 5.968 0.486
25 1HD ARG 3 2HD ARG 3 3.962 7.623 2.755
26 2HD ARG 3 1HD ARG 3 4.524 6.004 2.343
27 HE ARG 3 HE ARG 3 5.104 8.467 0.959
28 1HH1 ARG 3 1HH1 ARG 3 5.027 4.973 0.717
29 2HH1 ARG 3 2HH1 ARG 3 6.116 4.916 -0.624
30 1HH2 ARG 3 1HH2 ARG 3 6.515 8.401 -0.823
31 2HH2 ARG 3 2HH2 ARG 3 6.974 6.875 -1.504
32 HA PRO 4 HA PRO 4 0.937 7.664 -4.181
33 1HB PRO 4 2HB PRO 4 1.699 4.818 -4.055
34 2HB PRO 4 1HB PRO 4 2.000 6.006 -5.326
35 1HG PRO 4 2HG PRO 4 3.966 5.111 -3.729
36 2HG PRO 4 1HG PRO 4 3.930 6.778 -4.333
37 1HD PRO 4 2HD PRO 4 3.209 5.726 -1.629
38 2HD PRO 4 1HD PRO 4 4.041 7.228 -2.072
39 H ARG 5 H ARG 5 -1.092 6.938 -4.694
40 HA ARG 5 HA ARG 5 -2.806 6.121 -2.628
41 1HB ARG 5 2HB ARG 5 -4.538 5.879 -4.341
42 2HB ARG 5 1HB ARG 5 -3.644 7.377 -4.537
43 1HG ARG 5 2HG ARG 5 -2.786 5.003 -6.108
44 2HG ARG 5 1HG ARG 5 -4.253 5.855 -6.590
45 1HD ARG 5 2HD ARG 5 -1.501 7.054 -6.279
46 2HD ARG 5 1HD ARG 5 -2.330 6.719 -7.799
47 HE ARG 5 HE ARG 5 -3.919 8.407 -6.191
48 1HH1 ARG 5 1HH1 ARG 5 -1.028 8.458 -8.165
49 2HH1 ARG 5 2HH1 ARG 5 -1.141 10.149 -8.519
50 1HH2 ARG 5 1HH2 ARG 5 -4.077 10.644 -6.657
51 2HH2 ARG 5 2HH2 ARG 5 -2.881 11.396 -7.659
52 H ILE 6 H ILE 6 -0.626 4.287 -4.369
53 HA ILE 6 HA ILE 6 -1.999 1.844 -4.679
54 HB ILE 6 HB ILE 6 0.948 2.219 -4.138
55 1HG1 ILE 6 2HG1 ILE 6 -0.495 2.184 -6.800
56 2HG1 ILE 6 1HG1 ILE 6 0.153 3.625 -6.025
57 1HG2 ILE 6 1HG2 ILE 6 -0.323 0.042 -5.768
58 2HG2 ILE 6 2HG2 ILE 6 -0.117 -0.105 -4.022
59 3HG2 ILE 6 3HG2 ILE 6 1.293 0.094 -5.064
60 1HD1 ILE 6 1HD1 ILE 6 1.990 3.252 -7.213
61 2HD1 ILE 6 2HD1 ILE 6 1.485 1.614 -7.630
62 3HD1 ILE 6 3HD1 ILE 6 2.314 1.919 -6.103
63 H CYS 7 H CYS 7 -0.289 3.340 -2.030
64 HA CYS 7 HA CYS 7 -0.120 1.158 -0.278
65 1HB CYS 7 2HB CYS 7 -0.415 4.115 0.276
66 2HB CYS 7 1HB CYS 7 -0.046 2.918 1.504
67 H ASN 8 H ASN 8 -2.723 3.256 -1.158
68 HA ASN 8 HA ASN 8 -4.463 2.795 1.014
69 1HB ASN 8 2HB ASN 8 -5.113 3.460 -1.865
70 2HB ASN 8 1HB ASN 8 -6.278 3.492 -0.549
71 1HD2 ASN 8 1HD2 ASN 8 -3.682 4.484 1.005
72 2HD2 ASN 8 2HD2 ASN 8 -3.750 6.186 0.717
73 H LEU 9 H LEU 9 -4.284 1.223 -2.178
74 HA LEU 9 HA LEU 9 -6.258 -0.718 -1.504
75 1HB LEU 9 2HB LEU 9 -5.614 -1.822 -3.609
76 2HB LEU 9 1HB LEU 9 -5.973 -0.122 -3.813
77 HG LEU 9 HG LEU 9 -3.318 0.064 -3.557
78 1HD1 LEU 9 1HD1 LEU 9 -3.583 -2.541 -5.019
79 2HD1 LEU 9 2HD1 LEU 9 -3.242 -2.478 -3.291
80 3HD1 LEU 9 3HD1 LEU 9 -2.124 -1.740 -4.438
81 1HD2 LEU 9 1HD2 LEU 9 -3.339 -0.320 -6.156
82 2HD2 LEU 9 2HD2 LEU 9 -4.192 1.044 -5.431
83 3HD2 LEU 9 3HD2 LEU 9 -5.083 -0.402 -5.907
84 H ALA 10 H ALA 10 -2.813 -0.511 -1.247
85 HA ALA 10 HA ALA 10 -2.173 -3.211 -0.888
86 1HB ALA 10 1HB ALA 10 -0.894 -0.640 -0.093
87 2HB ALA 10 2HB ALA 10 -0.296 -1.918 -1.152
88 3HB ALA 10 3HB ALA 10 -0.283 -2.144 0.598
89 H CYS 11 H CYS 11 -3.053 -0.717 1.496
90 HA CYS 11 HA CYS 11 -2.882 -2.402 3.762
91 1HB CYS 11 2HB CYS 11 -4.654 0.026 3.382
92 2HB CYS 11 1HB CYS 11 -4.230 -0.707 4.919
93 H ARG 12 H ARG 12 -5.513 -1.652 1.536
94 HA ARG 12 HA ARG 12 -7.609 -2.845 2.958
95 1HB ARG 12 2HB ARG 12 -7.255 -2.435 -0.010
96 2HB ARG 12 1HB ARG 12 -8.754 -2.976 0.732
97 1HG ARG 12 2HG ARG 12 -7.376 -0.353 1.266
98 2HG ARG 12 1HG ARG 12 -8.796 -0.590 0.245
99 1HD ARG 12 2HD ARG 12 -10.058 -1.386 2.175
100 2HD ARG 12 1HD ARG 12 -8.636 -1.187 3.198
101 HE ARG 12 HE ARG 12 -9.184 1.262 1.960
102 1HH1 ARG 12 1HH1 ARG 12 -10.594 -0.884 4.333
103 2HH1 ARG 12 2HH1 ARG 12 -11.387 0.384 5.205
104 1HH2 ARG 12 1HH2 ARG 12 -10.225 2.952 3.109
105 2HH2 ARG 12 2HH2 ARG 12 -11.176 2.575 4.507
106 H ALA 13 H ALA 13 -5.555 -4.201 0.396
107 HA ALA 13 HA ALA 13 -6.772 -6.807 0.726
108 1HB ALA 13 1HB ALA 13 -4.323 -6.499 -0.908
109 2HB ALA 13 2HB ALA 13 -5.763 -5.629 -1.438
110 3HB ALA 13 3HB ALA 13 -5.811 -7.380 -1.250
111 H GLY 14 H GLY 14 -4.675 -5.187 2.519
112 1HA GLY 14 2HA GLY 14 -3.173 -5.765 4.155
113 2HA GLY 14 1HA GLY 14 -3.734 -7.407 3.956
114 H ILE 15 H ILE 15 -2.520 -5.864 1.194
115 HA ILE 15 HA ILE 15 -0.236 -7.665 1.197
116 HB ILE 15 HB ILE 15 0.117 -6.842 -1.150
117 1HG1 ILE 15 2HG1 ILE 15 -2.540 -5.477 -0.658
118 2HG1 ILE 15 1HG1 ILE 15 -1.000 -4.667 -0.921
119 1HG2 ILE 15 1HG2 ILE 15 -2.053 -7.950 -1.996
120 2HG2 ILE 15 2HG2 ILE 15 -2.400 -8.211 -0.286
121 3HG2 ILE 15 3HG2 ILE 15 -0.944 -8.900 -1.007
122 1HD1 ILE 15 1HD1 ILE 15 -0.950 -5.236 -3.171
123 2HD1 ILE 15 2HD1 ILE 15 -2.643 -4.841 -2.874
124 3HD1 ILE 15 3HD1 ILE 15 -2.136 -6.526 -2.970
125 H GLY 16 H GLY 16 -0.572 -5.206 2.847
126 1HA GLY 16 2HA GLY 16 1.203 -3.196 1.981
127 2HA GLY 16 1HA GLY 16 0.773 -3.526 3.655
128 H HIS 17 H HIS 17 1.760 -6.146 3.846
129 HA HIS 17 HA HIS 17 4.512 -5.592 4.319
130 1HB HIS 17 2HB HIS 17 3.147 -7.134 5.729
131 2HB HIS 17 1HB HIS 17 3.114 -8.275 4.389
132 HD1 HIS 17 1HD HIS 17 5.885 -6.412 6.248
133 HD2 HIS 17 2HD HIS 17 4.974 -10.189 4.769
134 HE1 HIS 17 1HE HIS 17 7.851 -7.860 6.844
135 H LYS 18 H LYS 18 2.783 -6.712 1.626
136 HA LYS 18 HA LYS 18 4.990 -8.143 0.430
137 1HB LYS 18 2HB LYS 18 2.739 -8.919 -0.033
138 2HB LYS 18 1HB LYS 18 2.285 -7.339 -0.654
139 1HG LYS 18 2HG LYS 18 3.860 -7.617 -2.508
140 2HG LYS 18 1HG LYS 18 4.305 -9.206 -1.884
141 1HD LYS 18 2HD LYS 18 1.503 -8.432 -2.689
142 2HD LYS 18 1HD LYS 18 2.646 -9.248 -3.757
143 1HE LYS 18 2HE LYS 18 1.695 -10.304 -1.096
144 2HE LYS 18 1HE LYS 18 1.069 -10.804 -2.666
145 1HZ LYS 18 1HZ LYS 18 3.091 -11.804 -3.228
146 2HZ LYS 18 2HZ LYS 18 2.839 -12.258 -1.618
147 3HZ LYS 18 3HZ LYS 18 3.940 -11.028 -1.988
148 H TYR 19 H TYR 19 3.418 -5.008 0.149
149 HA TYR 19 HA TYR 19 5.204 -4.213 -2.017
150 1HB TYR 19 2HB TYR 19 2.884 -2.849 -0.652
151 2HB TYR 19 1HB TYR 19 3.902 -2.025 -1.826
152 HD1 TYR 19 1HD TYR 19 2.769 -5.565 -1.985
153 HD2 TYR 19 2HD TYR 19 2.357 -1.635 -3.554
154 HE1 TYR 19 1HE TYR 19 1.383 -6.446 -3.810
155 HE2 TYR 19 2HE TYR 19 0.968 -2.506 -5.385
156 HH TYR 19 HH TYR 19 0.462 -4.499 -6.524
157 HA PRO 20 HA PRO 20 8.186 -2.856 1.099
158 1HB PRO 20 2HB PRO 20 9.436 -1.750 -1.362
159 2HB PRO 20 1HB PRO 20 10.145 -2.750 -0.089
160 1HG PRO 20 2HG PRO 20 9.553 -3.796 -2.464
161 2HG PRO 20 1HG PRO 20 9.283 -4.715 -0.972
162 1HD PRO 20 2HD PRO 20 7.310 -3.291 -2.708
163 2HD PRO 20 1HD PRO 20 7.146 -4.834 -1.846
164 H PHE 21 H PHE 21 7.237 -0.766 -1.624
165 HA PHE 21 HA PHE 21 7.826 1.640 -0.212
166 1HB PHE 21 2HB PHE 21 6.582 2.717 -2.161
167 2HB PHE 21 1HB PHE 21 8.031 1.800 -2.546
168 HD1 PHE 21 1HD PHE 21 4.327 1.388 -2.338
169 HD2 PHE 21 2HD PHE 21 7.958 0.259 -4.247
170 HE1 PHE 21 1HE PHE 21 3.053 0.058 -3.967
171 HE2 PHE 21 2HE PHE 21 6.690 -1.074 -5.880
172 HZ PHE 21 HZ PHE 21 4.234 -1.173 -5.742
173 H CYS 22 H CYS 22 5.292 -0.506 0.042
174 HA CYS 22 HA CYS 22 3.684 1.498 1.455
175 1HB CYS 22 2HB CYS 22 2.649 -0.486 -0.581
176 2HB CYS 22 1HB CYS 22 1.610 0.306 0.596
177 H HIS 23 H HIS 23 5.360 0.074 2.790
178 HA HIS 23 HA HIS 23 4.651 -2.534 3.551
179 1HB HIS 23 2HB HIS 23 6.209 -2.156 5.481
180 2HB HIS 23 1HB HIS 23 6.902 -1.843 3.896
181 HD1 HIS 23 1HD HIS 23 5.240 0.211 6.649
182 HD2 HIS 23 2HD HIS 23 8.296 0.464 3.841
183 HE1 HIS 23 1HE HIS 23 6.332 2.446 7.037
184 H CYS 24 H CYS 24 2.344 -1.577 3.640
185 HA CYS 24 HA CYS 24 1.476 -0.595 6.218
186 1HB CYS 24 2HB CYS 24 0.462 -0.070 3.926
187 2HB CYS 24 1HB CYS 24 -0.225 -1.688 3.984
188 H ARG 25 H ARG 25 -0.741 -1.917 6.780
189 HA ARG 25 HA ARG 25 0.178 -4.301 8.025
190 1HB ARG 25 2HB ARG 25 -2.150 -4.569 8.779
191 2HB ARG 25 1HB ARG 25 -1.560 -2.937 9.057
192 1HG ARG 25 2HG ARG 25 -2.769 -2.146 7.100
193 2HG ARG 25 1HG ARG 25 -3.330 -3.787 6.771
194 1HD ARG 25 2HD ARG 25 -5.061 -2.498 7.890
195 2HD ARG 25 1HD ARG 25 -4.503 -3.812 8.922
196 HE ARG 25 HE ARG 25 -3.045 -1.482 9.519
197 1HH1 ARG 25 1HH1 ARG 25 -6.265 -2.802 9.858
198 2HH1 ARG 25 2HH1 ARG 25 -6.640 -1.883 11.277
199 1HH2 ARG 25 1HH2 ARG 25 -3.529 -0.259 11.403
200 2HH2 ARG 25 2HH2 ARG 25 -5.076 -0.431 12.160
201 1HN NH2 26 1H ARG 25 -0.530 -6.452 7.659
202 2HN NH2 26 2H ARG 25 -1.221 -6.967 6.160