Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
590474 | 2n1c RC | 25555 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 1HT PHE 1 -12.947 2.732 -3.349
2 H2 PHE 1 2HT PHE 1 -13.970 2.695 -4.704
3 H3 PHE 1 3HT PHE 1 -12.511 1.823 -4.716
4 HA PHE 1 HA PHE 1 -14.344 0.390 -4.417
5 HB2 PHE 1 2HB PHE 1 -13.576 -0.874 -2.412
6 HB3 PHE 1 1HB PHE 1 -12.194 -0.265 -3.374
7 HD1 PHE 1 2HD PHE 1 -10.820 1.648 -2.534
8 HD2 PHE 1 1HD PHE 1 -13.949 -0.088 -0.159
9 HE1 PHE 1 2HE PHE 1 -9.881 2.716 -0.511
10 HE2 PHE 1 1HE PHE 1 -13.005 0.971 1.866
11 HZ PHE 1 HZ PHE 1 -10.968 2.380 1.692
12 H GLU 2 H GLU 2 -15.757 -0.608 -2.482
13 HA GLU 2 HA GLU 2 -17.665 1.478 -1.842
14 HB2 GLU 2 2HB GLU 2 -17.780 -1.583 -1.550
15 HB3 GLU 2 1HB GLU 2 -19.120 -0.461 -1.122
16 HG2 GLU 2 2HG GLU 2 -17.893 -0.877 -3.933
17 HG3 GLU 2 1HG GLU 2 -19.454 -1.550 -3.343
18 H ASP 3 H ASP 3 -16.776 -1.440 0.086
19 HA ASP 3 HA ASP 3 -15.485 0.094 2.063
20 HB2 ASP 3 2HB ASP 3 -16.898 -0.631 3.994
21 HB3 ASP 3 1HB ASP 3 -17.595 0.682 2.991
22 H LEU 4 H LEU 4 -13.797 -1.092 1.950
23 HA LEU 4 HA LEU 4 -14.018 -4.013 2.061
24 HB2 LEU 4 2HB LEU 4 -11.615 -2.145 1.506
25 HB3 LEU 4 1HB LEU 4 -11.492 -3.936 1.561
26 HG LEU 4 HG LEU 4 -13.185 -2.345 -0.453
27 HD11 LEU 4 1HD1 LEU 4 -10.750 -1.932 -0.758
28 HD12 LEU 4 2HD1 LEU 4 -11.420 -2.919 -2.110
29 HD13 LEU 4 3HD1 LEU 4 -10.441 -3.708 -0.816
30 HD21 LEU 4 3HD2 LEU 4 -12.485 -5.349 -0.349
31 HD22 LEU 4 1HD2 LEU 4 -13.325 -4.508 -1.706
32 HD23 LEU 4 2HD2 LEU 4 -14.116 -4.619 -0.094
33 HA PRO 5 HA PRO 5 -12.614 -3.813 6.231
34 HB2 PRO 5 2HB PRO 5 -11.018 -6.336 5.617
35 HB3 PRO 5 1HB PRO 5 -12.268 -6.067 6.903
36 HG2 PRO 5 2HG PRO 5 -12.953 -7.511 4.698
37 HG3 PRO 5 1HG PRO 5 -14.070 -6.149 5.181
38 HD2 PRO 5 2HD PRO 5 -11.805 -5.949 3.162
39 HD3 PRO 5 1HD PRO 5 -13.596 -5.674 2.929
40 H ASN 6 H ASN 6 -10.504 -4.439 7.507
41 HA ASN 6 HA ASN 6 -8.670 -2.400 6.940
42 HB2 ASN 6 2HB ASN 6 -8.369 -4.778 8.887
43 HB3 ASN 6 1HB ASN 6 -7.329 -3.304 8.877
44 HD21 ASN 6 1HD2 ASN 6 -10.073 -4.695 10.300
45 HD22 ASN 6 2HD2 ASN 6 -10.842 -3.243 10.908
46 H PHE 7 H PHE 7 -8.303 -6.004 6.782
47 HA PHE 7 HA PHE 7 -5.716 -5.755 5.581
48 HB2 PHE 7 2HB PHE 7 -6.332 -7.626 7.202
49 HB3 PHE 7 1HB PHE 7 -7.461 -8.276 5.958
50 HD1 PHE 7 1HD PHE 7 -3.858 -7.112 6.300
51 HD2 PHE 7 2HD PHE 7 -6.584 -9.923 4.519
52 HE1 PHE 7 1HE PHE 7 -1.963 -8.260 5.207
53 HE2 PHE 7 2HE PHE 7 -4.682 -11.073 3.433
54 HZ PHE 7 HZ PHE 7 -2.370 -10.240 3.769
55 H GLY 8 H GLY 8 -8.980 -5.618 4.453
56 HA2 GLY 8 2HA GLY 8 -8.675 -6.888 1.957
57 HA3 GLY 8 1HA GLY 8 -9.916 -5.690 2.477
58 H HIS 9 H HIS 9 -7.972 -3.608 3.187
59 HA HIS 9 HA HIS 9 -7.553 -2.432 0.686
60 HB2 HIS 9 2HB HIS 9 -8.043 -1.396 3.039
61 HB3 HIS 9 1HB HIS 9 -6.294 -1.573 3.367
62 HD1 HIS 9 1HD HIS 9 -4.747 0.049 1.659
63 HD2 HIS 9 2HD HIS 9 -8.898 0.456 1.364
64 HE1 HIS 9 1HE HIS 9 -5.219 2.176 0.319
65 H ILE 10 H ILE 10 -5.563 -4.136 3.050
66 HA ILE 10 HA ILE 10 -3.072 -3.254 2.136
67 HB ILE 10 HB ILE 10 -3.835 -5.448 4.045
68 HG12 ILE 10 2HG1 ILE 10 -3.014 -2.474 4.171
69 HG13 ILE 10 1HG1 ILE 10 -4.559 -3.212 4.713
70 HG21 ILE 10 1HG2 ILE 10 -1.415 -5.345 4.757
71 HG22 ILE 10 2HG2 ILE 10 -1.060 -4.243 3.371
72 HG23 ILE 10 3HG2 ILE 10 -1.572 -5.953 3.092
73 HD11 ILE 10 3HD1 ILE 10 -1.782 -3.526 5.969
74 HD12 ILE 10 1HD1 ILE 10 -3.232 -4.485 6.486
75 HD13 ILE 10 2HD1 ILE 10 -3.214 -2.683 6.666
76 H GLN 11 H GLN 11 -5.033 -6.128 1.489
77 HA GLN 11 HA GLN 11 -2.916 -7.584 0.264
78 HB2 GLN 11 2HB GLN 11 -4.567 -9.294 -0.245
79 HB3 GLN 11 1HB GLN 11 -4.754 -8.707 1.441
80 HG2 GLN 11 2HG GLN 11 -6.670 -7.216 0.666
81 HG3 GLN 11 1HG GLN 11 -6.531 -7.944 -0.978
82 HE21 GLN 11 1HE2 GLN 11 -8.913 -8.341 -0.147
83 HE22 GLN 11 2HE2 GLN 11 -9.205 -9.906 0.583
84 H VAL 12 H VAL 12 -4.758 -4.949 -0.864
85 HA VAL 12 HA VAL 12 -4.514 -5.781 -3.661
86 HB VAL 12 HB VAL 12 -6.077 -3.469 -2.415
87 HG11 VAL 12 1HG1 VAL 12 -5.320 -2.882 -4.716
88 HG12 VAL 12 2HG1 VAL 12 -7.061 -3.325 -4.772
89 HG13 VAL 12 3HG1 VAL 12 -5.810 -4.504 -5.327
90 HG21 VAL 12 3HG2 VAL 12 -7.071 -5.706 -1.872
91 HG22 VAL 12 1HG2 VAL 12 -6.979 -6.179 -3.607
92 HG23 VAL 12 2HG2 VAL 12 -8.075 -4.844 -3.089
93 H LYS 13 H LYS 13 -3.491 -3.488 -1.171
94 HA LYS 13 HA LYS 13 -2.347 -1.685 -3.055
95 HB2 LYS 13 2HB LYS 13 -1.817 -0.267 -1.262
96 HB3 LYS 13 1HB LYS 13 -3.366 -1.084 -0.775
97 HG2 LYS 13 2HG LYS 13 -2.272 -1.251 1.214
98 HG3 LYS 13 1HG LYS 13 -1.609 -2.733 0.446
99 HD2 LYS 13 2HD LYS 13 0.315 -1.246 -0.404
100 HD3 LYS 13 1HD LYS 13 -0.319 0.056 0.644
101 HE2 LYS 13 2HE LYS 13 0.018 -1.411 2.684
102 HE3 LYS 13 1HE LYS 13 0.628 -2.742 1.616
103 HZ1 LYS 13 3HZ LYS 13 2.406 -1.500 2.613
104 HZ2 LYS 13 1HZ LYS 13 1.849 -0.050 1.927
105 HZ3 LYS 13 2HZ LYS 13 2.417 -1.299 0.926
106 H VAL 14 H VAL 14 -1.225 -4.351 -1.479
107 HA VAL 14 HA VAL 14 1.471 -3.837 -1.427
108 HB VAL 14 HB VAL 14 0.251 -5.654 -0.342
109 HG11 VAL 14 1HG1 VAL 14 -1.343 -6.294 -2.119
110 HG12 VAL 14 2HG1 VAL 14 -0.493 -7.711 -1.410
111 HG13 VAL 14 3HG1 VAL 14 -0.011 -7.098 -3.027
112 HG21 VAL 14 3HG2 VAL 14 1.997 -7.458 -0.671
113 HG22 VAL 14 1HG2 VAL 14 2.764 -5.816 -0.722
114 HG23 VAL 14 2HG2 VAL 14 2.424 -6.708 -2.257
115 H PHE 15 H PHE 15 -0.618 -4.787 -3.783
116 HA PHE 15 HA PHE 15 1.230 -5.594 -5.881
117 HB2 PHE 15 2HB PHE 15 -1.793 -4.981 -6.044
118 HB3 PHE 15 1HB PHE 15 -0.805 -5.441 -7.479
119 HD1 PHE 15 2HD PHE 15 0.628 -7.576 -7.310
120 HD2 PHE 15 1HD PHE 15 -2.690 -6.738 -4.716
121 HE1 PHE 15 2HE PHE 15 0.412 -9.987 -6.815
122 HE2 PHE 15 1HE PHE 15 -2.908 -9.158 -4.221
123 HZ PHE 15 HZ PHE 15 -1.355 -10.782 -5.264
124 H ASN 16 H ASN 16 -0.638 -2.637 -5.136
125 HA ASN 16 HA ASN 16 0.130 -1.245 -7.455
126 HB2 ASN 16 2HB ASN 16 -1.941 -0.803 -6.039
127 HB3 ASN 16 1HB ASN 16 -0.879 -0.160 -4.745
128 HD21 ASN 16 1HD2 ASN 16 -0.584 2.039 -4.802
129 HD22 ASN 16 2HD2 ASN 16 -0.780 3.077 -6.200
130 H HIS 17 H HIS 17 1.532 -1.621 -4.147
131 HA HIS 17 HA HIS 17 3.224 0.414 -4.170
132 HB2 HIS 17 2HB HIS 17 2.505 -0.655 -2.117
133 HB3 HIS 17 1HB HIS 17 3.069 -2.251 -2.711
134 HD1 HIS 17 1HD HIS 17 4.725 1.099 -1.640
135 HD2 HIS 17 2HD HIS 17 5.467 -3.008 -1.947
136 HE1 HIS 17 1HE HIS 17 7.019 0.647 -0.606
137 H GLY 18 H GLY 18 3.371 -2.832 -5.518
138 HA2 GLY 18 2HA GLY 18 6.210 -2.836 -5.981
139 HA3 GLY 18 1HA GLY 18 4.954 -4.019 -6.515
140 H GLU 19 H GLU 19 4.005 -3.831 -8.509
141 HA GLU 19 HA GLU 19 3.809 -3.404 -10.570
142 HB2 GLU 19 2HB GLU 19 4.236 -0.442 -9.894
143 HB3 GLU 19 1HB GLU 19 3.645 -1.034 -11.480
144 HG2 GLU 19 2HG GLU 19 2.196 -1.496 -8.792
145 HG3 GLU 19 1HG GLU 19 1.829 -0.163 -9.944
146 H HIS 20 H HIS 20 6.055 -4.404 -9.889
147 HA HIS 20 HA HIS 20 7.750 -3.825 -12.123
148 HB2 HIS 20 2HB HIS 20 8.870 -3.647 -9.232
149 HB3 HIS 20 1HB HIS 20 9.876 -3.906 -10.705
150 HD1 HIS 20 1HD HIS 20 7.968 -1.207 -8.851
151 HD2 HIS 20 2HD HIS 20 10.233 -1.621 -12.358
152 HE1 HIS 20 1HE HIS 20 8.505 1.130 -9.729
153 H ILE 21 H ILE 21 8.867 -5.502 -9.234
154 HA ILE 21 HA ILE 21 7.532 -7.968 -10.018
155 HB ILE 21 HB ILE 21 8.853 -8.745 -7.851
156 HG12 ILE 21 2HG1 ILE 21 11.152 -7.787 -7.837
157 HG13 ILE 21 1HG1 ILE 21 10.639 -6.436 -8.888
158 HG21 ILE 21 1HG2 ILE 21 10.065 -8.342 -10.655
159 HG22 ILE 21 2HG2 ILE 21 8.924 -9.648 -10.154
160 HG23 ILE 21 3HG2 ILE 21 10.580 -9.571 -9.434
161 HD11 ILE 21 3HD1 ILE 21 10.813 -5.848 -6.424
162 HD12 ILE 21 1HD1 ILE 21 9.494 -7.025 -6.067
163 HD13 ILE 21 2HD1 ILE 21 9.164 -5.562 -7.075
164 H HIS 22 H HIS 22 6.309 -9.035 -8.333
165 HA HIS 22 HA HIS 22 4.484 -9.082 -7.237
166 HB2 HIS 22 2HB HIS 22 5.995 -8.147 -5.344
167 HB3 HIS 22 1HB HIS 22 5.119 -6.602 -5.568
168 HD1 HIS 22 1HD HIS 22 2.239 -7.177 -5.430
169 HD2 HIS 22 2HD HIS 22 4.888 -9.861 -3.594
170 HE1 HIS 22 1HE HIS 22 0.907 -8.612 -3.790
171 H HIS 23 H HIS 23 4.320 -8.156 -9.688
172 HA HIS 23 HA HIS 23 3.100 -5.600 -9.901
173 HB2 HIS 23 2HB HIS 23 4.491 -6.608 -11.725
174 HB3 HIS 23 1HB HIS 23 3.283 -7.920 -11.909
175 HD1 HIS 23 1HD HIS 23 3.477 -4.077 -12.260
176 HD2 HIS 23 2HD HIS 23 1.227 -7.320 -13.683
177 HE1 HIS 23 1HE HIS 23 1.875 -3.208 -14.050
Start of MODEL 2
1 H1 PHE 1 1HT PHE 1 -17.361 -6.533 -4.101
2 H2 PHE 1 2HT PHE 1 -18.534 -7.749 -4.277
3 H3 PHE 1 3HT PHE 1 -16.882 -8.148 -4.328
4 HA PHE 1 HA PHE 1 -17.847 -8.773 -2.275
5 HB2 PHE 1 2HB PHE 1 -16.224 -7.674 -0.690
6 HB3 PHE 1 1HB PHE 1 -15.463 -8.190 -2.227
7 HD1 PHE 1 1HD PHE 1 -16.603 -5.247 -0.246
8 HD2 PHE 1 2HD PHE 1 -14.550 -6.573 -3.778
9 HE1 PHE 1 1HE PHE 1 -15.698 -2.972 -0.568
10 HE2 PHE 1 2HE PHE 1 -13.637 -4.297 -4.098
11 HZ PHE 1 HZ PHE 1 -14.207 -2.492 -2.494
12 H GLU 2 H GLU 2 -18.423 -7.970 0.006
13 HA GLU 2 HA GLU 2 -20.616 -6.062 -0.239
14 HB2 GLU 2 2HB GLU 2 -19.808 -7.979 2.034
15 HB3 GLU 2 1HB GLU 2 -21.226 -6.875 2.068
16 HG2 GLU 2 2HG GLU 2 -20.766 -9.223 0.104
17 HG3 GLU 2 1HG GLU 2 -21.862 -9.228 1.532
18 H ASP 3 H ASP 3 -18.135 -6.850 2.295
19 HA ASP 3 HA ASP 3 -16.914 -4.353 2.079
20 HB2 ASP 3 2HB ASP 3 -17.250 -3.576 4.449
21 HB3 ASP 3 1HB ASP 3 -18.683 -3.346 3.393
22 H LEU 4 H LEU 4 -15.010 -5.223 1.995
23 HA LEU 4 HA LEU 4 -14.308 -7.465 3.672
24 HB2 LEU 4 2HB LEU 4 -12.022 -7.253 2.380
25 HB3 LEU 4 1HB LEU 4 -13.475 -7.965 1.631
26 HG LEU 4 HG LEU 4 -14.001 -5.877 0.501
27 HD11 LEU 4 1HD1 LEU 4 -12.944 -4.125 1.871
28 HD12 LEU 4 2HD1 LEU 4 -12.245 -4.073 0.219
29 HD13 LEU 4 3HD1 LEU 4 -11.306 -4.816 1.568
30 HD21 LEU 4 3HD2 LEU 4 -12.721 -7.668 -0.639
31 HD22 LEU 4 1HD2 LEU 4 -11.166 -6.939 -0.084
32 HD23 LEU 4 2HD2 LEU 4 -12.221 -6.045 -1.244
33 HA PRO 5 HA PRO 5 -12.503 -5.132 6.751
34 HB2 PRO 5 2HB PRO 5 -10.032 -6.927 6.722
35 HB3 PRO 5 1HB PRO 5 -11.161 -6.568 8.096
36 HG2 PRO 5 2HG PRO 5 -11.365 -8.954 6.824
37 HG3 PRO 5 1HG PRO 5 -12.900 -7.996 7.058
38 HD2 PRO 5 2HD PRO 5 -11.104 -7.963 4.579
39 HD3 PRO 5 1HD PRO 5 -12.873 -8.392 4.707
40 H ASN 6 H ASN 6 -10.242 -4.480 7.743
41 HA ASN 6 HA ASN 6 -9.130 -2.432 6.101
42 HB2 ASN 6 2HB ASN 6 -8.205 -3.521 8.834
43 HB3 ASN 6 1HB ASN 6 -7.591 -2.011 8.058
44 HD21 ASN 6 1HD2 ASN 6 -9.824 -3.173 10.304
45 HD22 ASN 6 2HD2 ASN 6 -10.966 -1.844 10.292
46 H PHE 7 H PHE 7 -8.230 -5.736 7.022
47 HA PHE 7 HA PHE 7 -5.605 -5.588 5.886
48 HB2 PHE 7 2HB PHE 7 -6.241 -7.130 7.829
49 HB3 PHE 7 1HB PHE 7 -7.278 -8.064 6.691
50 HD1 PHE 7 1HD PHE 7 -3.752 -6.833 7.238
51 HD2 PHE 7 2HD PHE 7 -6.268 -9.780 5.377
52 HE1 PHE 7 1HE PHE 7 -1.748 -8.099 6.532
53 HE2 PHE 7 2HE PHE 7 -4.262 -11.046 4.673
54 HZ PHE 7 HZ PHE 7 -1.999 -10.207 5.247
55 H GLY 8 H GLY 8 -8.904 -6.160 4.854
56 HA2 GLY 8 2HA GLY 8 -8.279 -7.570 2.447
57 HA3 GLY 8 1HA GLY 8 -9.834 -6.825 2.976
58 H HIS 9 H HIS 9 -8.108 -4.262 3.481
59 HA HIS 9 HA HIS 9 -8.341 -3.176 0.798
60 HB2 HIS 9 2HB HIS 9 -7.592 -1.871 3.482
61 HB3 HIS 9 1HB HIS 9 -7.784 -0.989 1.925
62 HD1 HIS 9 1HD HIS 9 -9.582 -0.882 4.754
63 HD2 HIS 9 2HD HIS 9 -10.703 -2.255 0.953
64 HE1 HIS 9 1HE HIS 9 -12.125 -0.725 4.572
65 H ILE 10 H ILE 10 -6.015 -4.115 3.273
66 HA ILE 10 HA ILE 10 -3.813 -2.717 2.237
67 HB ILE 10 HB ILE 10 -4.524 -3.969 4.588
68 HG12 ILE 10 2HG1 ILE 10 -1.818 -2.721 3.797
69 HG13 ILE 10 1HG1 ILE 10 -3.337 -1.784 4.028
70 HG21 ILE 10 1HG2 ILE 10 -2.629 -5.391 5.245
71 HG22 ILE 10 2HG2 ILE 10 -1.929 -5.309 3.593
72 HG23 ILE 10 3HG2 ILE 10 -3.512 -6.138 3.878
73 HD11 ILE 10 3HD1 ILE 10 -1.945 -3.466 6.196
74 HD12 ILE 10 1HD1 ILE 10 -3.525 -2.601 6.366
75 HD13 ILE 10 2HD1 ILE 10 -2.008 -1.664 6.073
76 H GLN 11 H GLN 11 -5.114 -5.927 1.708
77 HA GLN 11 HA GLN 11 -2.750 -6.961 0.514
78 HB2 GLN 11 2HB GLN 11 -3.995 -8.994 0.056
79 HB3 GLN 11 1HB GLN 11 -4.239 -8.415 1.724
80 HG2 GLN 11 2HG GLN 11 -6.374 -9.122 1.138
81 HG3 GLN 11 1HG GLN 11 -6.464 -7.339 0.931
82 HE21 GLN 11 1HE2 GLN 11 -7.987 -7.155 -0.708
83 HE22 GLN 11 2HE2 GLN 11 -7.888 -7.929 -2.277
84 H VAL 12 H VAL 12 -4.996 -4.714 -0.643
85 HA VAL 12 HA VAL 12 -4.879 -5.542 -3.402
86 HB VAL 12 HB VAL 12 -5.838 -2.890 -2.211
87 HG11 VAL 12 1HG1 VAL 12 -7.047 -2.738 -4.442
88 HG12 VAL 12 2HG1 VAL 12 -6.180 -4.224 -4.990
89 HG13 VAL 12 3HG1 VAL 12 -5.261 -2.716 -4.639
90 HG21 VAL 12 3HG2 VAL 12 -7.397 -5.454 -2.946
91 HG22 VAL 12 1HG2 VAL 12 -8.132 -3.871 -2.500
92 HG23 VAL 12 2HG2 VAL 12 -7.170 -4.778 -1.286
93 H LYS 13 H LYS 13 -3.369 -3.287 -1.154
94 HA LYS 13 HA LYS 13 -2.297 -1.524 -3.040
95 HB2 LYS 13 2HB LYS 13 -1.219 -1.918 -0.168
96 HB3 LYS 13 1HB LYS 13 -1.246 -0.388 -1.119
97 HG2 LYS 13 2HG LYS 13 -3.511 -2.020 0.085
98 HG3 LYS 13 1HG LYS 13 -2.912 -0.459 0.735
99 HD2 LYS 13 2HD LYS 13 -4.416 -0.813 -1.955
100 HD3 LYS 13 1HD LYS 13 -5.128 -0.282 -0.402
101 HE2 LYS 13 2HE LYS 13 -4.825 1.719 -1.668
102 HE3 LYS 13 1HE LYS 13 -3.521 1.735 -0.415
103 HZ1 LYS 13 3HZ LYS 13 -2.733 2.394 -2.573
104 HZ2 LYS 13 1HZ LYS 13 -3.238 0.928 -3.268
105 HZ3 LYS 13 2HZ LYS 13 -1.998 0.935 -2.107
106 H VAL 14 H VAL 14 -1.300 -4.364 -1.822
107 HA VAL 14 HA VAL 14 1.447 -4.609 -2.030
108 HB VAL 14 HB VAL 14 -0.671 -6.586 -3.081
109 HG11 VAL 14 1HG1 VAL 14 1.074 -8.320 -2.455
110 HG12 VAL 14 2HG1 VAL 14 2.260 -6.984 -2.174
111 HG13 VAL 14 3HG1 VAL 14 1.566 -7.262 -3.822
112 HG21 VAL 14 3HG2 VAL 14 -0.532 -7.526 -0.744
113 HG22 VAL 14 1HG2 VAL 14 -1.243 -5.881 -0.849
114 HG23 VAL 14 2HG2 VAL 14 0.456 -6.087 -0.259
115 H PHE 15 H PHE 15 -0.982 -4.492 -4.472
116 HA PHE 15 HA PHE 15 0.334 -5.425 -6.689
117 HB2 PHE 15 2HB PHE 15 -1.455 -4.811 -7.997
118 HB3 PHE 15 1HB PHE 15 -2.192 -4.876 -6.357
119 HD1 PHE 15 1HD PHE 15 -1.705 -2.205 -5.190
120 HD2 PHE 15 2HD PHE 15 -2.589 -3.289 -9.254
121 HE1 PHE 15 1HE PHE 15 -2.732 -0.002 -5.549
122 HE2 PHE 15 2HE PHE 15 -3.601 -1.067 -9.618
123 HZ PHE 15 HZ PHE 15 -3.679 0.583 -7.767
124 H ASN 16 H ASN 16 0.391 -2.225 -5.331
125 HA ASN 16 HA ASN 16 1.835 -1.018 -7.515
126 HB2 ASN 16 2HB ASN 16 0.053 0.217 -6.177
127 HB3 ASN 16 1HB ASN 16 1.082 0.073 -4.718
128 HD21 ASN 16 1HD2 ASN 16 1.256 1.195 -8.183
129 HD22 ASN 16 2HD2 ASN 16 2.227 2.619 -7.866
130 H HIS 17 H HIS 17 2.355 -1.872 -4.026
131 HA HIS 17 HA HIS 17 4.798 -0.997 -3.741
132 HB2 HIS 17 2HB HIS 17 3.247 -1.656 -1.937
133 HB3 HIS 17 1HB HIS 17 3.498 -3.386 -2.344
134 HD1 HIS 17 1HD HIS 17 5.701 -4.462 -1.379
135 HD2 HIS 17 2HD HIS 17 5.413 -0.349 -0.599
136 HE1 HIS 17 1HE HIS 17 7.504 -3.849 0.321
137 H GLY 18 H GLY 18 6.909 -2.001 -3.585
138 HA2 GLY 18 2HA GLY 18 7.378 -4.659 -4.351
139 HA3 GLY 18 1HA GLY 18 7.673 -3.501 -5.720
140 H GLU 19 H GLU 19 8.007 -2.626 -2.307
141 HA GLU 19 HA GLU 19 10.934 -2.486 -2.626
142 HB2 GLU 19 2HB GLU 19 9.049 -0.708 -0.968
143 HB3 GLU 19 1HB GLU 19 10.852 -0.629 -0.948
144 HG2 GLU 19 2HG GLU 19 10.851 -0.019 -3.382
145 HG3 GLU 19 1HG GLU 19 9.048 -0.055 -3.397
146 H HIS 20 H HIS 20 10.426 -4.866 -2.045
147 HA HIS 20 HA HIS 20 9.755 -5.268 0.753
148 HB2 HIS 20 2HB HIS 20 10.329 -7.273 -1.509
149 HB3 HIS 20 1HB HIS 20 9.875 -7.696 0.184
150 HD1 HIS 20 1HD HIS 20 8.391 -5.952 -2.910
151 HD2 HIS 20 2HD HIS 20 7.146 -7.695 0.697
152 HE1 HIS 20 1HE HIS 20 5.842 -6.098 -2.939
153 H ILE 21 H ILE 21 12.077 -7.354 -0.874
154 HA ILE 21 HA ILE 21 14.174 -6.551 0.933
155 HB ILE 21 HB ILE 21 15.413 -8.407 -0.306
156 HG12 ILE 21 2HG1 ILE 21 12.584 -9.108 -1.313
157 HG13 ILE 21 1HG1 ILE 21 13.881 -8.398 -2.336
158 HG21 ILE 21 1HG2 ILE 21 12.857 -9.067 1.290
159 HG22 ILE 21 2HG2 ILE 21 14.446 -8.550 1.977
160 HG23 ILE 21 3HG2 ILE 21 14.312 -10.121 1.113
161 HD11 ILE 21 3HD1 ILE 21 14.016 -11.125 -0.891
162 HD12 ILE 21 1HD1 ILE 21 15.345 -10.387 -1.864
163 HD13 ILE 21 2HD1 ILE 21 13.791 -10.843 -2.655
164 H HIS 22 H HIS 22 16.308 -6.070 0.100
165 HA HIS 22 HA HIS 22 16.412 -4.961 -2.587
166 HB2 HIS 22 2HB HIS 22 17.150 -3.383 -0.032
167 HB3 HIS 22 1HB HIS 22 17.509 -2.874 -1.720
168 HD1 HIS 22 1HD HIS 22 14.530 -3.292 0.658
169 HD2 HIS 22 2HD HIS 22 15.394 -1.691 -3.123
170 HE1 HIS 22 1HE HIS 22 12.498 -1.956 -0.122
171 H HIS 23 H HIS 23 17.962 -5.540 0.540
172 HA HIS 23 HA HIS 23 19.884 -6.276 1.197
173 HB2 HIS 23 2HB HIS 23 20.146 -7.745 -1.473
174 HB3 HIS 23 1HB HIS 23 21.100 -8.065 0.018
175 HD1 HIS 23 1HD HIS 23 19.204 -8.516 2.214
176 HD2 HIS 23 2HD HIS 23 18.148 -9.590 -1.702
177 HE1 HIS 23 1HE HIS 23 17.354 -10.276 2.342
Start of MODEL 3
1 H1 PHE 1 1HT PHE 1 -17.986 -3.166 -0.939
2 H2 PHE 1 2HT PHE 1 -19.523 -3.023 -1.646
3 H3 PHE 1 3HT PHE 1 -18.539 -4.358 -2.016
4 HA PHE 1 HA PHE 1 -20.275 -4.950 -0.535
5 HB2 PHE 1 2HB PHE 1 -17.954 -6.050 -0.466
6 HB3 PHE 1 1HB PHE 1 -17.521 -4.939 0.881
7 HD1 PHE 1 2HD PHE 1 -20.545 -7.134 0.079
8 HD2 PHE 1 1HD PHE 1 -17.430 -6.114 2.862
9 HE1 PHE 1 2HE PHE 1 -21.476 -8.734 1.713
10 HE2 PHE 1 1HE PHE 1 -18.367 -7.719 4.496
11 HZ PHE 1 HZ PHE 1 -20.395 -9.026 3.926
12 H GLU 2 H GLU 2 -20.595 -4.997 2.095
13 HA GLU 2 HA GLU 2 -21.642 -2.407 2.622
14 HB2 GLU 2 2HB GLU 2 -21.611 -4.958 4.350
15 HB3 GLU 2 1HB GLU 2 -22.624 -3.503 4.645
16 HG2 GLU 2 2HG GLU 2 -22.799 -5.423 2.221
17 HG3 GLU 2 1HG GLU 2 -23.927 -5.359 3.620
18 H ASP 3 H ASP 3 -19.186 -4.598 4.152
19 HA ASP 3 HA ASP 3 -17.873 -2.332 5.281
20 HB2 ASP 3 2HB ASP 3 -17.665 -3.323 7.557
21 HB3 ASP 3 1HB ASP 3 -19.270 -2.613 7.178
22 H LEU 4 H LEU 4 -16.215 -2.661 4.147
23 HA LEU 4 HA LEU 4 -15.153 -5.223 3.533
24 HB2 LEU 4 2HB LEU 4 -14.004 -2.389 3.092
25 HB3 LEU 4 1HB LEU 4 -13.222 -3.893 2.509
26 HG LEU 4 HG LEU 4 -15.383 -4.375 1.201
27 HD11 LEU 4 1HD1 LEU 4 -16.964 -2.713 2.145
28 HD12 LEU 4 2HD1 LEU 4 -16.656 -2.336 0.420
29 HD13 LEU 4 3HD1 LEU 4 -15.853 -1.361 1.704
30 HD21 LEU 4 3HD2 LEU 4 -13.210 -3.733 0.186
31 HD22 LEU 4 1HD2 LEU 4 -13.602 -1.986 0.406
32 HD23 LEU 4 2HD2 LEU 4 -14.587 -2.999 -0.718
33 HA PRO 5 HA PRO 5 -12.588 -5.486 7.050
34 HB2 PRO 5 2HB PRO 5 -10.482 -6.976 5.457
35 HB3 PRO 5 1HB PRO 5 -11.518 -7.588 6.806
36 HG2 PRO 5 2HG PRO 5 -11.975 -8.391 4.220
37 HG3 PRO 5 1HG PRO 5 -13.385 -7.955 5.289
38 HD2 PRO 5 2HD PRO 5 -11.927 -6.064 3.368
39 HD3 PRO 5 1HD PRO 5 -13.693 -6.540 3.365
40 H ASN 6 H ASN 6 -10.184 -5.369 7.767
41 HA ASN 6 HA ASN 6 -9.266 -2.740 7.023
42 HB2 ASN 6 2HB ASN 6 -8.144 -4.757 9.078
43 HB3 ASN 6 1HB ASN 6 -7.587 -3.053 8.880
44 HD21 ASN 6 1HD2 ASN 6 -9.706 -5.059 10.618
45 HD22 ASN 6 2HD2 ASN 6 -10.817 -3.842 11.214
46 H PHE 7 H PHE 7 -7.961 -6.105 7.063
47 HA PHE 7 HA PHE 7 -5.597 -5.342 5.666
48 HB2 PHE 7 2HB PHE 7 -5.707 -7.193 7.432
49 HB3 PHE 7 1HB PHE 7 -6.678 -8.172 6.273
50 HD1 PHE 7 2HD PHE 7 -3.436 -6.211 6.481
51 HD2 PHE 7 1HD PHE 7 -5.483 -9.617 4.839
52 HE1 PHE 7 2HE PHE 7 -1.342 -6.948 5.394
53 HE2 PHE 7 1HE PHE 7 -3.387 -10.349 3.750
54 HZ PHE 7 HZ PHE 7 -1.314 -9.012 4.019
55 H GLY 8 H GLY 8 -8.841 -5.973 4.736
56 HA2 GLY 8 2HA GLY 8 -8.379 -7.302 2.279
57 HA3 GLY 8 1HA GLY 8 -9.850 -6.435 2.852
58 H HIS 9 H HIS 9 -8.019 -4.006 3.358
59 HA HIS 9 HA HIS 9 -8.224 -2.844 0.725
60 HB2 HIS 9 2HB HIS 9 -7.223 -1.703 3.402
61 HB3 HIS 9 1HB HIS 9 -7.491 -0.746 1.899
62 HD1 HIS 9 1HD HIS 9 -9.065 -0.759 4.892
63 HD2 HIS 9 2HD HIS 9 -10.537 -1.818 1.106
64 HE1 HIS 9 1HE HIS 9 -11.606 -0.486 4.918
65 H ILE 10 H ILE 10 -5.839 -3.873 3.109
66 HA ILE 10 HA ILE 10 -3.580 -2.639 2.068
67 HB ILE 10 HB ILE 10 -3.901 -4.911 4.017
68 HG12 ILE 10 2HG1 ILE 10 -3.698 -1.836 4.102
69 HG13 ILE 10 1HG1 ILE 10 -5.025 -2.879 4.718
70 HG21 ILE 10 1HG2 ILE 10 -1.611 -4.997 3.028
71 HG22 ILE 10 2HG2 ILE 10 -1.534 -4.352 4.685
72 HG23 ILE 10 3HG2 ILE 10 -1.413 -3.219 3.284
73 HD11 ILE 10 3HD1 ILE 10 -3.389 -3.800 6.448
74 HD12 ILE 10 1HD1 ILE 10 -3.746 -2.031 6.603
75 HD13 ILE 10 2HD1 ILE 10 -2.197 -2.568 5.855
76 H GLN 11 H GLN 11 -5.037 -5.807 1.505
77 HA GLN 11 HA GLN 11 -2.759 -6.902 0.182
78 HB2 GLN 11 2HB GLN 11 -4.128 -8.890 -0.186
79 HB3 GLN 11 1HB GLN 11 -4.283 -8.308 1.502
80 HG2 GLN 11 2HG GLN 11 -6.492 -7.202 0.893
81 HG3 GLN 11 1HG GLN 11 -6.347 -7.868 -0.770
82 HE21 GLN 11 1HE2 GLN 11 -6.253 -8.913 2.714
83 HE22 GLN 11 2HE2 GLN 11 -7.044 -10.456 2.454
84 H VAL 12 H VAL 12 -4.487 -4.426 -0.932
85 HA VAL 12 HA VAL 12 -4.609 -5.408 -3.695
86 HB VAL 12 HB VAL 12 -5.799 -2.863 -2.477
87 HG11 VAL 12 1HG1 VAL 12 -6.947 -2.744 -4.752
88 HG12 VAL 12 2HG1 VAL 12 -5.910 -4.115 -5.310
89 HG13 VAL 12 3HG1 VAL 12 -5.163 -2.539 -4.858
90 HG21 VAL 12 3HG2 VAL 12 -7.099 -5.536 -3.333
91 HG22 VAL 12 1HG2 VAL 12 -7.997 -4.034 -2.898
92 HG23 VAL 12 2HG2 VAL 12 -7.009 -4.874 -1.656
93 H LYS 13 H LYS 13 -3.173 -3.233 -1.327
94 HA LYS 13 HA LYS 13 -1.931 -1.592 -3.323
95 HB2 LYS 13 2HB LYS 13 -1.165 -1.502 -0.336
96 HB3 LYS 13 1HB LYS 13 -1.289 -0.129 -1.488
97 HG2 LYS 13 2HG LYS 13 -3.501 -1.838 -0.237
98 HG3 LYS 13 1HG LYS 13 -3.031 -0.202 0.341
99 HD2 LYS 13 2HD LYS 13 -4.327 -0.829 -2.392
100 HD3 LYS 13 1HD LYS 13 -5.156 -0.144 -0.954
101 HE2 LYS 13 2HE LYS 13 -3.694 1.906 -1.072
102 HE3 LYS 13 1HE LYS 13 -2.874 1.233 -2.541
103 HZ1 LYS 13 3HZ LYS 13 -4.604 2.772 -3.103
104 HZ2 LYS 13 1HZ LYS 13 -5.768 1.850 -2.280
105 HZ3 LYS 13 2HZ LYS 13 -4.997 1.214 -3.653
106 H VAL 14 H VAL 14 -1.301 -4.389 -1.794
107 HA VAL 14 HA VAL 14 1.513 -4.476 -1.639
108 HB VAL 14 HB VAL 14 -0.085 -6.093 -0.705
109 HG11 VAL 14 1HG1 VAL 14 -0.442 -7.327 -3.482
110 HG12 VAL 14 2HG1 VAL 14 -1.659 -6.283 -2.661
111 HG13 VAL 14 3HG1 VAL 14 -1.172 -7.856 -1.931
112 HG21 VAL 14 3HG2 VAL 14 1.350 -8.118 -1.149
113 HG22 VAL 14 1HG2 VAL 14 2.388 -6.635 -1.088
114 HG23 VAL 14 2HG2 VAL 14 1.922 -7.355 -2.683
115 H PHE 15 H PHE 15 -0.751 -4.894 -4.068
116 HA PHE 15 HA PHE 15 0.983 -5.751 -6.212
117 HB2 PHE 15 2HB PHE 15 -1.890 -4.622 -6.405
118 HB3 PHE 15 1HB PHE 15 -0.996 -5.437 -7.747
119 HD1 PHE 15 1HD PHE 15 0.199 -7.809 -6.711
120 HD2 PHE 15 2HD PHE 15 -3.523 -5.997 -5.548
121 HE1 PHE 15 1HE PHE 15 -0.639 -10.004 -5.967
122 HE2 PHE 15 2HE PHE 15 -4.368 -8.206 -4.826
123 HZ PHE 15 HZ PHE 15 -2.924 -10.213 -5.024
124 H ASN 16 H ASN 16 -0.192 -2.645 -5.006
125 HA ASN 16 HA ASN 16 0.601 -1.142 -7.278
126 HB2 ASN 16 2HB ASN 16 -1.188 -0.407 -5.619
127 HB3 ASN 16 1HB ASN 16 0.092 -0.202 -4.381
128 HD21 ASN 16 1HD2 ASN 16 -0.612 0.765 -7.827
129 HD22 ASN 16 2HD2 ASN 16 -0.051 2.418 -7.665
130 H HIS 17 H HIS 17 2.090 -1.963 -4.032
131 HA HIS 17 HA HIS 17 4.281 -0.498 -4.357
132 HB2 HIS 17 2HB HIS 17 3.980 -3.063 -2.716
133 HB3 HIS 17 1HB HIS 17 5.297 -1.850 -2.530
134 HD1 HIS 17 1HD HIS 17 3.578 0.780 -2.487
135 HD2 HIS 17 2HD HIS 17 2.601 -2.709 -0.370
136 HE1 HIS 17 1HE HIS 17 2.083 1.433 -0.520
137 H GLY 18 H GLY 18 6.230 -0.849 -5.462
138 HA2 GLY 18 2HA GLY 18 7.884 -2.130 -6.371
139 HA3 GLY 18 1HA GLY 18 6.748 -3.517 -6.582
140 H GLU 19 H GLU 19 4.558 -2.149 -7.635
141 HA GLU 19 HA GLU 19 3.607 -1.254 -9.292
142 HB2 GLU 19 2HB GLU 19 6.240 -0.212 -10.418
143 HB3 GLU 19 1HB GLU 19 4.604 0.108 -11.089
144 HG2 GLU 19 2HG GLU 19 3.932 1.234 -8.940
145 HG3 GLU 19 1HG GLU 19 5.581 0.931 -8.274
146 H HIS 20 H HIS 20 2.639 -2.603 -10.550
147 HA HIS 20 HA HIS 20 4.040 -4.648 -12.020
148 HB2 HIS 20 2HB HIS 20 1.072 -3.856 -11.897
149 HB3 HIS 20 1HB HIS 20 1.724 -5.244 -12.845
150 HD1 HIS 20 1HD HIS 20 -0.299 -6.050 -10.863
151 HD2 HIS 20 2HD HIS 20 3.716 -5.629 -9.711
152 HE1 HIS 20 1HE HIS 20 0.081 -7.450 -8.765
153 H ILE 21 H ILE 21 1.483 -2.414 -13.088
154 HA ILE 21 HA ILE 21 3.019 -1.636 -15.418
155 HB ILE 21 HB ILE 21 0.933 -0.291 -15.900
156 HG12 ILE 21 2HG1 ILE 21 -0.303 -2.043 -13.681
157 HG13 ILE 21 1HG1 ILE 21 0.030 -0.281 -13.538
158 HG21 ILE 21 1HG2 ILE 21 -0.190 -2.286 -16.855
159 HG22 ILE 21 2HG2 ILE 21 0.690 -3.363 -15.705
160 HG23 ILE 21 3HG2 ILE 21 1.597 -2.450 -16.972
161 HD11 ILE 21 3HD1 ILE 21 -1.517 0.161 -15.480
162 HD12 ILE 21 1HD1 ILE 21 -2.341 -0.635 -14.088
163 HD13 ILE 21 2HD1 ILE 21 -1.911 -1.599 -15.545
164 H HIS 22 H HIS 22 3.496 0.549 -15.795
165 HA HIS 22 HA HIS 22 3.733 2.197 -13.363
166 HB2 HIS 22 2HB HIS 22 5.501 2.044 -15.879
167 HB3 HIS 22 1HB HIS 22 5.638 3.324 -14.619
168 HD1 HIS 22 1HD HIS 22 5.746 -0.565 -14.584
169 HD2 HIS 22 2HD HIS 22 7.512 2.770 -12.751
170 HE1 HIS 22 1HE HIS 22 7.523 -1.403 -12.952
171 H HIS 23 H HIS 23 2.948 1.935 -16.791
172 HA HIS 23 HA HIS 23 2.109 4.622 -17.134
173 HB2 HIS 23 2HB HIS 23 1.105 3.803 -19.268
174 HB3 HIS 23 1HB HIS 23 2.830 3.348 -19.096
175 HD1 HIS 23 1HD HIS 23 3.215 0.703 -18.302
176 HD2 HIS 23 2HD HIS 23 -0.602 1.669 -19.750
177 HE1 HIS 23 1HE HIS 23 2.017 -1.473 -18.897
Start of MODEL 4
1 H1 PHE 1 1HT PHE 1 -15.530 -4.925 -6.172
2 H2 PHE 1 2HT PHE 1 -15.767 -3.244 -6.118
3 H3 PHE 1 3HT PHE 1 -17.085 -4.278 -6.399
4 HA PHE 1 HA PHE 1 -16.890 -5.212 -4.235
5 HB2 PHE 1 2HB PHE 1 -14.589 -3.161 -3.897
6 HB3 PHE 1 1HB PHE 1 -15.339 -4.041 -2.517
7 HD1 PHE 1 2HD PHE 1 -15.279 -6.562 -2.462
8 HD2 PHE 1 1HD PHE 1 -12.880 -4.243 -5.174
9 HE1 PHE 1 2HE PHE 1 -13.739 -8.479 -2.744
10 HE2 PHE 1 1HE PHE 1 -11.344 -6.162 -5.454
11 HZ PHE 1 HZ PHE 1 -11.768 -8.282 -4.238
12 H GLU 2 H GLU 2 -17.752 -4.191 -2.234
13 HA GLU 2 HA GLU 2 -19.242 -1.745 -2.852
14 HB2 GLU 2 2HB GLU 2 -19.582 -3.854 -0.634
15 HB3 GLU 2 1HB GLU 2 -20.593 -2.374 -0.831
16 HG2 GLU 2 2HG GLU 2 -21.352 -3.198 -3.082
17 HG3 GLU 2 1HG GLU 2 -20.376 -4.699 -2.866
18 H ASP 3 H ASP 3 -17.294 -3.411 -0.274
19 HA ASP 3 HA ASP 3 -15.843 -1.151 0.359
20 HB2 ASP 3 2HB ASP 3 -16.499 -0.943 2.788
21 HB3 ASP 3 1HB ASP 3 -17.723 -0.272 1.659
22 H LEU 4 H LEU 4 -14.034 -2.186 0.486
23 HA LEU 4 HA LEU 4 -13.876 -4.957 0.992
24 HB2 LEU 4 2HB LEU 4 -11.579 -2.887 0.844
25 HB3 LEU 4 1HB LEU 4 -11.380 -4.666 0.850
26 HG LEU 4 HG LEU 4 -12.909 -4.613 -1.299
27 HD11 LEU 4 1HD1 LEU 4 -13.494 -2.186 -1.336
28 HD12 LEU 4 2HD1 LEU 4 -12.470 -2.597 -2.753
29 HD13 LEU 4 3HD1 LEU 4 -11.746 -1.745 -1.339
30 HD21 LEU 4 3HD2 LEU 4 -10.568 -5.411 -1.210
31 HD22 LEU 4 1HD2 LEU 4 -9.962 -3.715 -1.327
32 HD23 LEU 4 2HD2 LEU 4 -10.857 -4.452 -2.710
33 HA PRO 5 HA PRO 5 -13.262 -4.799 5.313
34 HB2 PRO 5 2HB PRO 5 -11.266 -7.087 5.023
35 HB3 PRO 5 1HB PRO 5 -12.796 -7.035 5.994
36 HG2 PRO 5 2HG PRO 5 -12.761 -8.436 3.659
37 HG3 PRO 5 1HG PRO 5 -14.142 -7.273 3.924
38 HD2 PRO 5 2HD PRO 5 -11.540 -6.643 2.466
39 HD3 PRO 5 1HD PRO 5 -13.251 -6.590 1.829
40 H ASN 6 H ASN 6 -11.439 -5.159 7.028
41 HA ASN 6 HA ASN 6 -9.926 -2.827 6.885
42 HB2 ASN 6 2HB ASN 6 -9.651 -5.172 8.876
43 HB3 ASN 6 1HB ASN 6 -8.947 -3.527 9.110
44 HD21 ASN 6 1HD2 ASN 6 -10.650 -1.666 8.814
45 HD22 ASN 6 2HD2 ASN 6 -12.193 -1.913 9.607
46 H PHE 7 H PHE 7 -8.821 -6.267 6.946
47 HA PHE 7 HA PHE 7 -6.110 -5.506 6.303
48 HB2 PHE 7 2HB PHE 7 -7.446 -8.278 6.582
49 HB3 PHE 7 1HB PHE 7 -5.669 -7.980 6.404
50 HD1 PHE 7 1HD PHE 7 -4.553 -6.424 8.145
51 HD2 PHE 7 2HD PHE 7 -8.407 -8.235 8.745
52 HE1 PHE 7 1HE PHE 7 -4.345 -6.063 10.583
53 HE2 PHE 7 2HE PHE 7 -8.196 -7.871 11.182
54 HZ PHE 7 HZ PHE 7 -6.167 -6.784 12.106
55 H GLY 8 H GLY 8 -9.014 -6.011 4.584
56 HA2 GLY 8 2HA GLY 8 -7.824 -7.194 2.253
57 HA3 GLY 8 1HA GLY 8 -9.505 -6.636 2.529
58 H HIS 9 H HIS 9 -7.485 -4.158 3.537
59 HA HIS 9 HA HIS 9 -7.833 -2.690 1.049
60 HB2 HIS 9 2HB HIS 9 -6.821 -1.795 3.816
61 HB3 HIS 9 1HB HIS 9 -7.026 -0.721 2.385
62 HD1 HIS 9 1HD HIS 9 -9.840 -1.410 1.413
63 HD2 HIS 9 2HD HIS 9 -8.868 -1.022 5.477
64 HE1 HIS 9 1HE HIS 9 -11.975 -0.828 2.690
65 H ILE 10 H ILE 10 -5.404 -3.966 3.269
66 HA ILE 10 HA ILE 10 -3.185 -2.660 2.132
67 HB ILE 10 HB ILE 10 -3.421 -5.006 4.088
68 HG12 ILE 10 2HG1 ILE 10 -2.373 -2.891 5.487
69 HG13 ILE 10 1HG1 ILE 10 -3.369 -1.985 4.298
70 HG21 ILE 10 1HG2 ILE 10 -1.006 -4.475 4.650
71 HG22 ILE 10 2HG2 ILE 10 -0.931 -3.376 3.223
72 HG23 ILE 10 3HG2 ILE 10 -1.189 -5.152 3.003
73 HD11 ILE 10 3HD1 ILE 10 -4.637 -2.422 6.401
74 HD12 ILE 10 1HD1 ILE 10 -4.334 -4.192 6.245
75 HD13 ILE 10 2HD1 ILE 10 -5.389 -3.347 5.051
76 H GLN 11 H GLN 11 -4.751 -5.760 1.577
77 HA GLN 11 HA GLN 11 -2.555 -6.830 0.080
78 HB2 GLN 11 2HB GLN 11 -3.947 -8.803 -0.285
79 HB3 GLN 11 1HB GLN 11 -3.968 -8.281 1.419
80 HG2 GLN 11 2HG GLN 11 -6.203 -8.770 1.131
81 HG3 GLN 11 1HG GLN 11 -6.186 -6.994 0.826
82 HE21 GLN 11 1HE2 GLN 11 -7.650 -6.578 -0.788
83 HE22 GLN 11 2HE2 GLN 11 -7.859 -7.507 -2.260
84 H VAL 12 H VAL 12 -4.432 -4.312 -0.763
85 HA VAL 12 HA VAL 12 -4.694 -5.090 -3.572
86 HB VAL 12 HB VAL 12 -5.492 -2.484 -2.177
87 HG11 VAL 12 1HG1 VAL 12 -5.036 -2.151 -4.603
88 HG12 VAL 12 2HG1 VAL 12 -6.812 -2.156 -4.332
89 HG13 VAL 12 3HG1 VAL 12 -6.000 -3.616 -5.019
90 HG21 VAL 12 3HG2 VAL 12 -7.171 -4.947 -2.992
91 HG22 VAL 12 1HG2 VAL 12 -7.834 -3.369 -2.428
92 HG23 VAL 12 2HG2 VAL 12 -6.851 -4.374 -1.309
93 H LYS 13 H LYS 13 -2.857 -3.209 -1.230
94 HA LYS 13 HA LYS 13 -1.657 -1.554 -3.243
95 HB2 LYS 13 2HB LYS 13 -0.747 -1.616 -0.294
96 HB3 LYS 13 1HB LYS 13 -0.832 -0.195 -1.392
97 HG2 LYS 13 2HG LYS 13 -3.095 -1.814 -0.116
98 HG3 LYS 13 1HG LYS 13 -2.506 -0.233 0.503
99 HD2 LYS 13 2HD LYS 13 -3.922 -0.673 -2.206
100 HD3 LYS 13 1HD LYS 13 -4.670 -0.003 -0.716
101 HE2 LYS 13 2HE LYS 13 -3.090 1.963 -0.799
102 HE3 LYS 13 1HE LYS 13 -2.362 1.307 -2.323
103 HZ1 LYS 13 3HZ LYS 13 -4.523 1.460 -3.356
104 HZ2 LYS 13 1HZ LYS 13 -4.011 2.966 -2.761
105 HZ3 LYS 13 2HZ LYS 13 -5.202 2.085 -1.931
106 H VAL 14 H VAL 14 -1.077 -4.418 -1.843
107 HA VAL 14 HA VAL 14 1.747 -4.604 -1.990
108 HB VAL 14 HB VAL 14 0.208 -6.196 -0.894
109 HG11 VAL 14 1HG1 VAL 14 -0.468 -7.395 -3.627
110 HG12 VAL 14 2HG1 VAL 14 -1.557 -6.307 -2.691
111 HG13 VAL 14 3HG1 VAL 14 -1.062 -7.901 -2.010
112 HG21 VAL 14 3HG2 VAL 14 1.524 -8.259 -1.538
113 HG22 VAL 14 1HG2 VAL 14 2.605 -6.806 -1.529
114 HG23 VAL 14 2HG2 VAL 14 1.967 -7.456 -3.095
115 H PHE 15 H PHE 15 -0.803 -4.926 -4.142
116 HA PHE 15 HA PHE 15 0.695 -5.777 -6.477
117 HB2 PHE 15 2HB PHE 15 -2.201 -4.699 -6.347
118 HB3 PHE 15 1HB PHE 15 -1.430 -5.430 -7.806
119 HD1 PHE 15 1HD PHE 15 -0.143 -7.802 -7.158
120 HD2 PHE 15 2HD PHE 15 -3.636 -6.161 -5.259
121 HE1 PHE 15 1HE PHE 15 -0.818 -10.065 -6.439
122 HE2 PHE 15 2HE PHE 15 -4.322 -8.435 -4.567
123 HZ PHE 15 HZ PHE 15 -2.908 -10.389 -5.144
124 H ASN 16 H ASN 16 -0.283 -2.707 -5.067
125 HA ASN 16 HA ASN 16 0.194 -1.157 -7.400
126 HB2 ASN 16 2HB ASN 16 -1.370 -0.473 -5.526
127 HB3 ASN 16 1HB ASN 16 0.047 -0.306 -4.439
128 HD21 ASN 16 1HD2 ASN 16 0.686 1.795 -4.227
129 HD22 ASN 16 2HD2 ASN 16 0.576 3.047 -5.447
130 H HIS 17 H HIS 17 2.083 -2.093 -4.424
131 HA HIS 17 HA HIS 17 4.023 -0.360 -4.789
132 HB2 HIS 17 2HB HIS 17 5.247 -1.344 -3.027
133 HB3 HIS 17 1HB HIS 17 3.496 -1.509 -2.670
134 HD1 HIS 17 1HD HIS 17 3.900 -3.345 -0.994
135 HD2 HIS 17 2HD HIS 17 5.451 -4.402 -4.750
136 HE1 HIS 17 1HE HIS 17 4.600 -5.798 -0.921
137 H GLY 18 H GLY 18 6.446 -0.831 -5.076
138 HA2 GLY 18 2HA GLY 18 8.158 -1.654 -6.213
139 HA3 GLY 18 1HA GLY 18 7.116 -2.973 -6.880
140 H GLU 19 H GLU 19 6.518 0.541 -6.907
141 HA GLU 19 HA GLU 19 6.412 0.494 -9.836
142 HB2 GLU 19 2HB GLU 19 4.954 2.562 -9.514
143 HB3 GLU 19 1HB GLU 19 4.257 1.011 -8.944
144 HG2 GLU 19 2HG GLU 19 4.834 1.543 -6.574
145 HG3 GLU 19 1HG GLU 19 5.572 3.104 -7.091
146 H HIS 20 H HIS 20 8.854 0.469 -9.241
147 HA HIS 20 HA HIS 20 10.786 1.388 -9.349
148 HB2 HIS 20 2HB HIS 20 9.480 4.029 -10.195
149 HB3 HIS 20 1HB HIS 20 11.233 3.630 -10.275
150 HD1 HIS 20 1HD HIS 20 7.913 2.493 -11.862
151 HD2 HIS 20 2HD HIS 20 12.050 2.268 -12.529
152 HE1 HIS 20 1HE HIS 20 8.292 1.486 -14.181
153 H ILE 21 H ILE 21 10.360 4.677 -8.505
154 HA ILE 21 HA ILE 21 11.283 4.169 -5.834
155 HB ILE 21 HB ILE 21 11.484 6.676 -5.803
156 HG12 ILE 21 2HG1 ILE 21 10.719 6.435 -8.787
157 HG13 ILE 21 1HG1 ILE 21 9.705 7.177 -7.501
158 HG21 ILE 21 1HG2 ILE 21 13.525 6.636 -7.190
159 HG22 ILE 21 2HG2 ILE 21 12.934 5.186 -8.083
160 HG23 ILE 21 3HG2 ILE 21 13.334 5.071 -6.328
161 HD11 ILE 21 3HD1 ILE 21 10.853 8.944 -8.753
162 HD12 ILE 21 1HD1 ILE 21 12.459 8.184 -8.470
163 HD13 ILE 21 2HD1 ILE 21 11.533 8.880 -7.087
164 H HIS 22 H HIS 22 10.337 5.583 -4.089
165 HA HIS 22 HA HIS 22 7.449 5.285 -4.063
166 HB2 HIS 22 2HB HIS 22 8.817 4.456 -2.133
167 HB3 HIS 22 1HB HIS 22 9.460 6.106 -1.872
168 HD1 HIS 22 1HD HIS 22 7.591 7.899 -0.954
169 HD2 HIS 22 2HD HIS 22 6.333 3.896 -1.022
170 HE1 HIS 22 1HE HIS 22 5.492 7.700 0.491
171 H HIS 23 H HIS 23 10.052 7.652 -3.762
172 HA HIS 23 HA HIS 23 8.262 9.904 -3.535
173 HB2 HIS 23 2HB HIS 23 10.518 11.174 -3.392
174 HB3 HIS 23 1HB HIS 23 10.152 9.990 -2.102
175 HD1 HIS 23 1HD HIS 23 12.321 10.083 -5.299
176 HD2 HIS 23 2HD HIS 23 11.906 7.935 -1.720
177 HE1 HIS 23 1HE HIS 23 14.264 8.433 -5.134
Start of MODEL 5
1 H1 PHE 1 1HT PHE 1 -14.409 5.827 4.476
2 H2 PHE 1 2HT PHE 1 -15.470 6.989 3.833
3 H3 PHE 1 3HT PHE 1 -14.174 6.411 2.898
4 HA PHE 1 HA PHE 1 -16.214 5.479 2.194
5 HB2 PHE 1 2HB PHE 1 -15.599 3.021 2.265
6 HB3 PHE 1 1HB PHE 1 -14.252 4.107 1.819
7 HD1 PHE 1 2HD PHE 1 -15.667 2.089 4.656
8 HD2 PHE 1 1HD PHE 1 -12.247 4.153 3.080
9 HE1 PHE 1 2HE PHE 1 -14.252 1.070 6.401
10 HE2 PHE 1 1HE PHE 1 -10.825 3.118 4.818
11 HZ PHE 1 HZ PHE 1 -11.823 1.572 6.481
12 H GLU 2 H GLU 2 -17.656 3.363 2.713
13 HA GLU 2 HA GLU 2 -19.304 4.212 4.911
14 HB2 GLU 2 2HB GLU 2 -19.638 1.983 2.823
15 HB3 GLU 2 1HB GLU 2 -20.856 2.409 4.084
16 HG2 GLU 2 2HG GLU 2 -21.019 4.729 3.125
17 HG3 GLU 2 1HG GLU 2 -19.841 4.279 1.835
18 H ASP 3 H ASP 3 -18.512 0.820 3.916
19 HA ASP 3 HA ASP 3 -17.051 0.371 6.303
20 HB2 ASP 3 2HB ASP 3 -18.363 -1.605 7.073
21 HB3 ASP 3 1HB ASP 3 -19.140 -0.025 7.420
22 H LEU 4 H LEU 4 -15.407 -0.211 5.232
23 HA LEU 4 HA LEU 4 -15.559 -2.549 3.456
24 HB2 LEU 4 2HB LEU 4 -13.563 -0.187 3.333
25 HB3 LEU 4 1HB LEU 4 -13.519 -1.635 2.273
26 HG LEU 4 HG LEU 4 -15.732 0.500 2.328
27 HD11 LEU 4 1HD1 LEU 4 -14.819 1.220 0.139
28 HD12 LEU 4 2HD1 LEU 4 -13.519 -0.029 0.245
29 HD13 LEU 4 3HD1 LEU 4 -13.559 1.334 1.425
30 HD21 LEU 4 3HD2 LEU 4 -16.679 -1.700 1.646
31 HD22 LEU 4 1HD2 LEU 4 -15.360 -1.911 0.433
32 HD23 LEU 4 2HD2 LEU 4 -16.571 -0.590 0.236
33 HA PRO 5 HA PRO 5 -13.029 -4.147 6.541
34 HB2 PRO 5 2HB PRO 5 -11.264 -5.598 4.543
35 HB3 PRO 5 1HB PRO 5 -12.385 -6.300 5.777
36 HG2 PRO 5 2HG PRO 5 -13.043 -6.369 3.119
37 HG3 PRO 5 1HG PRO 5 -14.313 -5.894 4.337
38 HD2 PRO 5 2HD PRO 5 -12.469 -3.983 2.804
39 HD3 PRO 5 1HD PRO 5 -14.302 -4.030 2.786
40 H ASN 6 H ASN 6 -10.676 -4.729 7.186
41 HA ASN 6 HA ASN 6 -9.141 -2.253 6.914
42 HB2 ASN 6 2HB ASN 6 -8.862 -4.610 8.895
43 HB3 ASN 6 1HB ASN 6 -7.845 -3.118 8.903
44 HD21 ASN 6 1HD2 ASN 6 -10.636 -4.540 10.218
45 HD22 ASN 6 2HD2 ASN 6 -11.451 -3.094 10.778
46 H PHE 7 H PHE 7 -8.616 -5.833 6.967
47 HA PHE 7 HA PHE 7 -6.028 -5.554 5.811
48 HB2 PHE 7 2HB PHE 7 -6.673 -7.311 7.565
49 HB3 PHE 7 1HB PHE 7 -7.666 -8.127 6.304
50 HD1 PHE 7 1HD PHE 7 -4.168 -6.766 6.878
51 HD2 PHE 7 2HD PHE 7 -6.592 -9.800 5.028
52 HE1 PHE 7 1HE PHE 7 -2.131 -7.897 6.058
53 HE2 PHE 7 2HE PHE 7 -4.548 -10.927 4.207
54 HZ PHE 7 HZ PHE 7 -2.315 -9.976 4.716
55 H GLY 8 H GLY 8 -9.212 -5.576 4.535
56 HA2 GLY 8 2HA GLY 8 -8.638 -6.985 2.105
57 HA3 GLY 8 1HA GLY 8 -10.091 -6.026 2.566
58 H HIS 9 H HIS 9 -7.482 -4.095 3.230
59 HA HIS 9 HA HIS 9 -7.458 -2.811 0.586
60 HB2 HIS 9 2HB HIS 9 -6.848 -1.710 3.399
61 HB3 HIS 9 1HB HIS 9 -6.655 -0.777 1.869
62 HD1 HIS 9 1HD HIS 9 -8.611 0.157 4.140
63 HD2 HIS 9 2HD HIS 9 -9.780 -2.025 0.751
64 HE1 HIS 9 1HE HIS 9 -11.087 0.622 3.701
65 H ILE 10 H ILE 10 -5.693 -4.280 3.249
66 HA ILE 10 HA ILE 10 -3.130 -3.326 2.550
67 HB ILE 10 HB ILE 10 -4.078 -5.411 4.509
68 HG12 ILE 10 2HG1 ILE 10 -3.318 -2.424 4.528
69 HG13 ILE 10 1HG1 ILE 10 -4.883 -3.174 4.992
70 HG21 ILE 10 1HG2 ILE 10 -1.742 -5.966 3.832
71 HG22 ILE 10 2HG2 ILE 10 -1.750 -5.257 5.465
72 HG23 ILE 10 3HG2 ILE 10 -1.246 -4.243 4.060
73 HD11 ILE 10 3HD1 ILE 10 -3.711 -2.473 7.006
74 HD12 ILE 10 1HD1 ILE 10 -2.209 -3.321 6.483
75 HD13 ILE 10 2HD1 ILE 10 -3.672 -4.285 6.949
76 H GLN 11 H GLN 11 -5.023 -6.233 1.876
77 HA GLN 11 HA GLN 11 -2.816 -7.713 0.832
78 HB2 GLN 11 2HB GLN 11 -4.453 -9.416 0.196
79 HB3 GLN 11 1HB GLN 11 -4.742 -8.847 1.873
80 HG2 GLN 11 2HG GLN 11 -6.609 -7.333 0.981
81 HG3 GLN 11 1HG GLN 11 -6.353 -8.044 -0.650
82 HE21 GLN 11 1HE2 GLN 11 -6.952 -9.022 2.803
83 HE22 GLN 11 2HE2 GLN 11 -7.964 -10.401 2.421
84 H VAL 12 H VAL 12 -4.847 -5.205 -0.419
85 HA VAL 12 HA VAL 12 -4.626 -6.080 -3.165
86 HB VAL 12 HB VAL 12 -5.903 -3.574 -1.964
87 HG11 VAL 12 1HG1 VAL 12 -5.272 -3.223 -4.359
88 HG12 VAL 12 2HG1 VAL 12 -7.046 -3.474 -4.232
89 HG13 VAL 12 3HG1 VAL 12 -5.986 -4.817 -4.805
90 HG21 VAL 12 3HG2 VAL 12 -7.094 -6.286 -2.856
91 HG22 VAL 12 1HG2 VAL 12 -8.048 -4.826 -2.398
92 HG23 VAL 12 2HG2 VAL 12 -7.028 -5.648 -1.169
93 H LYS 13 H LYS 13 -3.410 -3.610 -0.950
94 HA LYS 13 HA LYS 13 -2.538 -1.782 -2.827
95 HB2 LYS 13 2HB LYS 13 -1.558 -0.570 -1.026
96 HB3 LYS 13 1HB LYS 13 -3.119 -1.310 -0.467
97 HG2 LYS 13 2HG LYS 13 -1.877 -1.813 1.374
98 HG3 LYS 13 1HG LYS 13 -1.394 -3.229 0.369
99 HD2 LYS 13 2HD LYS 13 0.497 -1.762 -0.523
100 HD3 LYS 13 1HD LYS 13 0.113 -0.573 0.751
101 HE2 LYS 13 2HE LYS 13 0.954 -3.531 1.230
102 HE3 LYS 13 1HE LYS 13 2.018 -2.084 1.456
103 HZ1 LYS 13 3HZ LYS 13 1.094 -2.859 3.516
104 HZ2 LYS 13 1HZ LYS 13 -0.492 -2.666 2.940
105 HZ3 LYS 13 2HZ LYS 13 0.506 -1.307 3.153
106 H VAL 14 H VAL 14 -0.987 -4.493 -1.820
107 HA VAL 14 HA VAL 14 1.653 -3.948 -2.172
108 HB VAL 14 HB VAL 14 1.863 -6.393 -2.661
109 HG11 VAL 14 1HG1 VAL 14 0.888 -7.106 -0.472
110 HG12 VAL 14 2HG1 VAL 14 -0.305 -5.756 -0.570
111 HG13 VAL 14 3HG1 VAL 14 1.450 -5.388 -0.320
112 HG21 VAL 14 3HG2 VAL 14 -0.186 -7.864 -2.631
113 HG22 VAL 14 1HG2 VAL 14 -0.038 -6.892 -4.126
114 HG23 VAL 14 2HG2 VAL 14 -1.214 -6.407 -2.847
115 H PHE 15 H PHE 15 -0.753 -4.506 -4.320
116 HA PHE 15 HA PHE 15 0.453 -5.269 -6.687
117 HB2 PHE 15 2HB PHE 15 -1.464 -4.921 -7.921
118 HB3 PHE 15 1HB PHE 15 -2.083 -5.185 -6.253
119 HD1 PHE 15 1HD PHE 15 -1.923 -2.420 -5.053
120 HD2 PHE 15 2HD PHE 15 -3.052 -3.696 -8.998
121 HE1 PHE 15 1HE PHE 15 -3.346 -0.430 -5.283
122 HE2 PHE 15 2HE PHE 15 -4.473 -1.692 -9.232
123 HZ PHE 15 HZ PHE 15 -4.626 -0.051 -7.376
124 H ASN 16 H ASN 16 0.070 -2.041 -5.448
125 HA ASN 16 HA ASN 16 0.967 -0.594 -7.683
126 HB2 ASN 16 2HB ASN 16 -0.423 0.359 -5.796
127 HB3 ASN 16 1HB ASN 16 0.964 0.157 -4.680
128 HD21 ASN 16 1HD2 ASN 16 2.291 1.929 -4.465
129 HD22 ASN 16 2HD2 ASN 16 2.397 3.277 -5.578
130 H HIS 17 H HIS 17 2.600 -1.525 -4.543
131 HA HIS 17 HA HIS 17 4.912 -0.417 -5.148
132 HB2 HIS 17 2HB HIS 17 4.409 -2.715 -3.209
133 HB3 HIS 17 1HB HIS 17 5.847 -1.627 -3.190
134 HD1 HIS 17 1HD HIS 17 4.906 1.137 -3.141
135 HD2 HIS 17 2HD HIS 17 2.511 -1.862 -1.455
136 HE1 HIS 17 1HE HIS 17 3.245 2.252 -1.551
137 H GLY 18 H GLY 18 7.062 -1.313 -5.543
138 HA2 GLY 18 2HA GLY 18 7.888 -3.737 -6.170
139 HA3 GLY 18 1HA GLY 18 6.978 -3.220 -7.663
140 H GLU 19 H GLU 19 7.303 -0.596 -7.773
141 HA GLU 19 HA GLU 19 8.512 1.039 -8.426
142 HB2 GLU 19 2HB GLU 19 10.676 0.058 -6.499
143 HB3 GLU 19 1HB GLU 19 10.773 1.567 -7.460
144 HG2 GLU 19 2HG GLU 19 10.070 2.214 -5.281
145 HG3 GLU 19 1HG GLU 19 8.669 2.419 -6.391
146 H HIS 20 H HIS 20 8.311 -0.118 -10.474
147 HA HIS 20 HA HIS 20 10.871 -1.090 -11.523
148 HB2 HIS 20 2HB HIS 20 8.817 -2.567 -11.765
149 HB3 HIS 20 1HB HIS 20 8.038 -1.264 -12.714
150 HD1 HIS 20 1HD HIS 20 11.431 -3.154 -12.925
151 HD2 HIS 20 2HD HIS 20 8.312 -1.830 -15.400
152 HE1 HIS 20 1HE HIS 20 11.965 -3.855 -15.324
153 H ILE 21 H ILE 21 11.185 -0.333 -13.930
154 HA ILE 21 HA ILE 21 11.061 2.522 -13.943
155 HB ILE 21 HB ILE 21 12.290 2.201 -16.141
156 HG12 ILE 21 2HG1 ILE 21 12.375 -0.751 -15.240
157 HG13 ILE 21 1HG1 ILE 21 11.399 -0.124 -16.612
158 HG21 ILE 21 1HG2 ILE 21 13.343 2.715 -13.942
159 HG22 ILE 21 2HG2 ILE 21 14.403 1.686 -14.966
160 HG23 ILE 21 3HG2 ILE 21 13.495 0.950 -13.592
161 HD11 ILE 21 3HD1 ILE 21 13.508 0.645 -17.752
162 HD12 ILE 21 1HD1 ILE 21 13.482 -1.131 -17.449
163 HD13 ILE 21 2HD1 ILE 21 14.479 -0.057 -16.404
164 H HIS 22 H HIS 22 10.351 3.691 -15.881
165 HA HIS 22 HA HIS 22 7.879 2.601 -16.986
166 HB2 HIS 22 2HB HIS 22 7.730 4.878 -15.983
167 HB3 HIS 22 1HB HIS 22 9.084 5.435 -17.014
168 HD1 HIS 22 1HD HIS 22 5.569 3.884 -17.578
169 HD2 HIS 22 2HD HIS 22 8.213 6.623 -19.342
170 HE1 HIS 22 1HE HIS 22 4.420 4.894 -19.625
171 H HIS 23 H HIS 23 10.768 4.435 -17.918
172 HA HIS 23 HA HIS 23 10.655 3.344 -20.633
173 HB2 HIS 23 2HB HIS 23 10.901 5.824 -20.402
174 HB3 HIS 23 1HB HIS 23 12.392 5.580 -19.434
175 HD1 HIS 23 1HD HIS 23 11.130 4.530 -22.953
176 HD2 HIS 23 2HD HIS 23 14.658 5.699 -21.004
177 HE1 HIS 23 1HE HIS 23 12.998 4.653 -24.693
Start of MODEL 6
1 H1 PHE 1 1HT PHE 1 -15.289 -3.539 -5.539
2 H2 PHE 1 2HT PHE 1 -16.515 -4.568 -6.110
3 H3 PHE 1 3HT PHE 1 -15.113 -5.225 -5.410
4 HA PHE 1 HA PHE 1 -16.973 -5.335 -3.919
5 HB2 PHE 1 2HB PHE 1 -14.784 -3.300 -3.090
6 HB3 PHE 1 1HB PHE 1 -15.917 -4.066 -1.922
7 HD1 PHE 1 1HD PHE 1 -16.016 -6.638 -1.837
8 HD2 PHE 1 2HD PHE 1 -12.752 -4.425 -3.549
9 HE1 PHE 1 1HE PHE 1 -14.519 -8.578 -1.496
10 HE2 PHE 1 2HE PHE 1 -11.257 -6.364 -3.203
11 HZ PHE 1 HZ PHE 1 -12.136 -8.445 -2.175
12 H GLU 2 H GLU 2 -18.288 -4.137 -2.296
13 HA GLU 2 HA GLU 2 -19.332 -1.602 -3.352
14 HB2 GLU 2 2HB GLU 2 -20.516 -3.585 -1.307
15 HB3 GLU 2 1HB GLU 2 -21.288 -2.051 -1.840
16 HG2 GLU 2 2HG GLU 2 -20.695 -4.525 -3.604
17 HG3 GLU 2 1HG GLU 2 -22.300 -4.041 -2.949
18 H ASP 3 H ASP 3 -18.083 -3.419 -0.518
19 HA ASP 3 HA ASP 3 -17.021 -1.024 0.620
20 HB2 ASP 3 2HB ASP 3 -18.797 -2.990 2.235
21 HB3 ASP 3 1HB ASP 3 -17.691 -1.751 2.949
22 H LEU 4 H LEU 4 -15.080 -1.669 0.296
23 HA LEU 4 HA LEU 4 -14.314 -4.364 0.108
24 HB2 LEU 4 2HB LEU 4 -12.220 -3.723 -0.646
25 HB3 LEU 4 1HB LEU 4 -13.382 -2.561 -1.350
26 HG LEU 4 HG LEU 4 -11.702 -2.105 1.143
27 HD11 LEU 4 1HD1 LEU 4 -10.153 -0.735 -0.270
28 HD12 LEU 4 2HD1 LEU 4 -11.141 -1.118 -1.730
29 HD13 LEU 4 3HD1 LEU 4 -10.256 -2.432 -0.872
30 HD21 LEU 4 3HD2 LEU 4 -13.616 -0.548 1.158
31 HD22 LEU 4 1HD2 LEU 4 -13.287 -0.066 -0.551
32 HD23 LEU 4 2HD2 LEU 4 -12.125 0.371 0.757
33 HA PRO 5 HA PRO 5 -13.363 -5.212 4.150
34 HB2 PRO 5 2HB PRO 5 -10.937 -6.858 3.301
35 HB3 PRO 5 1HB PRO 5 -12.409 -7.394 4.208
36 HG2 PRO 5 2HG PRO 5 -12.132 -8.050 1.576
37 HG3 PRO 5 1HG PRO 5 -13.732 -7.387 2.140
38 HD2 PRO 5 2HD PRO 5 -11.414 -5.779 0.943
39 HD3 PRO 5 1HD PRO 5 -13.127 -5.913 0.331
40 H ASN 6 H ASN 6 -11.496 -5.681 5.764
41 HA ASN 6 HA ASN 6 -10.197 -3.137 6.080
42 HB2 ASN 6 2HB ASN 6 -9.606 -3.925 8.381
43 HB3 ASN 6 1HB ASN 6 -11.365 -3.927 8.025
44 HD21 ASN 6 1HD2 ASN 6 -12.451 -6.003 7.631
45 HD22 ASN 6 2HD2 ASN 6 -11.792 -7.482 8.301
46 H PHE 7 H PHE 7 -9.185 -6.591 5.857
47 HA PHE 7 HA PHE 7 -6.409 -5.843 5.706
48 HB2 PHE 7 2HB PHE 7 -7.168 -8.003 6.811
49 HB3 PHE 7 1HB PHE 7 -7.748 -8.580 5.204
50 HD1 PHE 7 2HD PHE 7 -4.644 -7.062 6.796
51 HD2 PHE 7 1HD PHE 7 -6.238 -9.924 4.009
52 HE1 PHE 7 2HE PHE 7 -2.356 -7.842 6.284
53 HE2 PHE 7 1HE PHE 7 -3.947 -10.704 3.504
54 HZ PHE 7 HZ PHE 7 -2.000 -9.660 4.635
55 H GLY 8 H GLY 8 -9.084 -5.663 3.703
56 HA2 GLY 8 2HA GLY 8 -7.743 -6.298 1.205
57 HA3 GLY 8 1HA GLY 8 -9.422 -5.724 1.496
58 H HIS 9 H HIS 9 -6.891 -4.064 3.161
59 HA HIS 9 HA HIS 9 -6.728 -1.966 1.110
60 HB2 HIS 9 2HB HIS 9 -6.245 -1.708 4.141
61 HB3 HIS 9 1HB HIS 9 -6.121 -0.388 2.923
62 HD1 HIS 9 1HD HIS 9 -8.789 -0.599 1.434
63 HD2 HIS 9 2HD HIS 9 -8.484 -1.134 5.583
64 HE1 HIS 9 1HE HIS 9 -11.077 -0.124 2.470
65 H ILE 10 H ILE 10 -5.148 -4.023 3.515
66 HA ILE 10 HA ILE 10 -2.550 -3.030 3.038
67 HB ILE 10 HB ILE 10 -3.569 -5.446 4.626
68 HG12 ILE 10 2HG1 ILE 10 -2.512 -3.796 6.487
69 HG13 ILE 10 1HG1 ILE 10 -2.917 -2.534 5.277
70 HG21 ILE 10 1HG2 ILE 10 -1.233 -5.932 3.940
71 HG22 ILE 10 2HG2 ILE 10 -1.257 -5.451 5.663
72 HG23 ILE 10 3HG2 ILE 10 -0.714 -4.266 4.419
73 HD11 ILE 10 3HD1 ILE 10 -5.339 -3.337 5.354
74 HD12 ILE 10 1HD1 ILE 10 -4.732 -2.816 6.966
75 HD13 ILE 10 2HD1 ILE 10 -4.857 -4.570 6.578
76 H GLN 11 H GLN 11 -4.341 -5.931 2.040
77 HA GLN 11 HA GLN 11 -2.027 -7.077 0.805
78 HB2 GLN 11 2HB GLN 11 -3.394 -8.881 0.036
79 HB3 GLN 11 1HB GLN 11 -3.876 -8.474 1.717
80 HG2 GLN 11 2HG GLN 11 -5.825 -7.108 0.716
81 HG3 GLN 11 1HG GLN 11 -5.403 -7.795 -0.890
82 HE21 GLN 11 1HE2 GLN 11 -5.040 -10.333 -0.791
83 HE22 GLN 11 2HE2 GLN 11 -6.278 -11.231 0.064
84 H VAL 12 H VAL 12 -4.545 -4.846 -0.166
85 HA VAL 12 HA VAL 12 -4.320 -5.287 -2.962
86 HB VAL 12 HB VAL 12 -5.702 -3.167 -1.259
87 HG11 VAL 12 1HG1 VAL 12 -5.823 -3.619 -4.319
88 HG12 VAL 12 2HG1 VAL 12 -5.255 -2.131 -3.464
89 HG13 VAL 12 3HG1 VAL 12 -6.983 -2.610 -3.374
90 HG21 VAL 12 3HG2 VAL 12 -6.648 -5.686 -2.795
91 HG22 VAL 12 1HG2 VAL 12 -7.742 -4.495 -2.000
92 HG23 VAL 12 2HG2 VAL 12 -6.607 -5.470 -1.004
93 H LYS 13 H LYS 13 -2.613 -3.344 -0.584
94 HA LYS 13 HA LYS 13 -1.752 -1.428 -2.499
95 HB2 LYS 13 2HB LYS 13 -0.621 -0.321 -0.788
96 HB3 LYS 13 1HB LYS 13 -2.034 -1.089 0.063
97 HG2 LYS 13 2HG LYS 13 -0.424 -1.612 1.586
98 HG3 LYS 13 1HG LYS 13 -0.138 -2.998 0.478
99 HD2 LYS 13 2HD LYS 13 1.577 -1.535 -0.726
100 HD3 LYS 13 1HD LYS 13 1.363 -0.309 0.560
101 HE2 LYS 13 2HE LYS 13 2.150 -1.976 2.295
102 HE3 LYS 13 1HE LYS 13 2.343 -3.227 0.997
103 HZ1 LYS 13 3HZ LYS 13 4.409 -2.160 1.544
104 HZ2 LYS 13 1HZ LYS 13 3.783 -0.630 1.155
105 HZ3 LYS 13 2HZ LYS 13 3.964 -1.806 -0.056
106 H VAL 14 H VAL 14 -0.634 -4.411 -1.473
107 HA VAL 14 HA VAL 14 2.017 -4.136 -2.310
108 HB VAL 14 HB VAL 14 0.122 -6.602 -2.180
109 HG11 VAL 14 1HG1 VAL 14 3.196 -6.487 -2.328
110 HG12 VAL 14 2HG1 VAL 14 2.034 -7.202 -3.521
111 HG13 VAL 14 3HG1 VAL 14 2.235 -7.962 -1.902
112 HG21 VAL 14 3HG2 VAL 14 0.151 -5.453 -0.070
113 HG22 VAL 14 1HG2 VAL 14 1.959 -5.354 -0.049
114 HG23 VAL 14 2HG2 VAL 14 1.125 -6.954 0.100
115 H PHE 15 H PHE 15 -0.980 -4.774 -3.693
116 HA PHE 15 HA PHE 15 -0.054 -6.017 -6.166
117 HB2 PHE 15 2HB PHE 15 -2.902 -5.056 -5.493
118 HB3 PHE 15 1HB PHE 15 -2.431 -6.108 -6.879
119 HD1 PHE 15 2HD PHE 15 -0.385 -7.768 -4.789
120 HD2 PHE 15 1HD PHE 15 -4.562 -6.719 -4.969
121 HE1 PHE 15 2HE PHE 15 -0.942 -9.735 -3.440
122 HE2 PHE 15 1HE PHE 15 -5.107 -8.702 -3.602
123 HZ PHE 15 HZ PHE 15 -3.299 -10.214 -2.831
124 H ASN 16 H ASN 16 -0.996 -2.850 -4.969
125 HA ASN 16 HA ASN 16 -1.231 -1.607 -7.514
126 HB2 ASN 16 2HB ASN 16 -2.394 -0.802 -5.388
127 HB3 ASN 16 1HB ASN 16 -0.789 -0.379 -4.708
128 HD21 ASN 16 1HD2 ASN 16 -2.811 0.167 -7.693
129 HD22 ASN 16 2HD2 ASN 16 -2.380 1.854 -7.897
130 H HIS 17 H HIS 17 1.304 -1.822 -4.881
131 HA HIS 17 HA HIS 17 3.036 -0.167 -5.945
132 HB2 HIS 17 2HB HIS 17 2.965 -0.921 -3.579
133 HB3 HIS 17 1HB HIS 17 3.551 -2.541 -4.078
134 HD1 HIS 17 1HD HIS 17 5.647 -1.924 -2.400
135 HD2 HIS 17 2HD HIS 17 5.328 0.467 -5.823
136 HE1 HIS 17 1HE HIS 17 7.850 -0.658 -2.679
137 H GLY 18 H GLY 18 3.271 -3.701 -5.801
138 HA2 GLY 18 2HA GLY 18 3.816 -5.128 -7.527
139 HA3 GLY 18 1HA GLY 18 4.745 -3.804 -8.348
140 H GLU 19 H GLU 19 4.593 -5.904 -5.434
141 HA GLU 19 HA GLU 19 7.417 -5.364 -4.878
142 HB2 GLU 19 2HB GLU 19 5.260 -6.744 -3.187
143 HB3 GLU 19 1HB GLU 19 6.988 -6.521 -2.713
144 HG2 GLU 19 2HG GLU 19 6.695 -4.023 -2.859
145 HG3 GLU 19 1HG GLU 19 4.955 -4.258 -3.273
146 H HIS 20 H HIS 20 7.658 -6.572 -7.008
147 HA HIS 20 HA HIS 20 7.574 -9.481 -6.681
148 HB2 HIS 20 2HB HIS 20 8.094 -7.718 -9.154
149 HB3 HIS 20 1HB HIS 20 8.159 -9.520 -9.120
150 HD1 HIS 20 1HD HIS 20 5.608 -6.676 -8.562
151 HD2 HIS 20 2HD HIS 20 5.715 -10.768 -9.481
152 HE1 HIS 20 1HE HIS 20 3.230 -7.428 -9.114
153 H ILE 21 H ILE 21 9.899 -7.753 -8.695
154 HA ILE 21 HA ILE 21 12.099 -8.547 -7.009
155 HB ILE 21 HB ILE 21 13.435 -7.426 -8.838
156 HG12 ILE 21 2HG1 ILE 21 10.746 -7.391 -10.348
157 HG13 ILE 21 1HG1 ILE 21 11.559 -5.935 -9.676
158 HG21 ILE 21 1HG2 ILE 21 11.575 -9.757 -9.633
159 HG22 ILE 21 2HG2 ILE 21 13.055 -9.880 -8.604
160 HG23 ILE 21 3HG2 ILE 21 13.200 -9.390 -10.328
161 HD11 ILE 21 3HD1 ILE 21 12.054 -6.129 -12.077
162 HD12 ILE 21 1HD1 ILE 21 12.704 -7.794 -11.860
163 HD13 ILE 21 2HD1 ILE 21 13.565 -6.386 -11.128
164 H HIS 22 H HIS 22 13.699 -6.911 -6.395
165 HA HIS 22 HA HIS 22 12.662 -4.182 -6.174
166 HB2 HIS 22 2HB HIS 22 13.849 -5.816 -3.837
167 HB3 HIS 22 1HB HIS 22 13.547 -4.039 -3.824
168 HD1 HIS 22 1HD HIS 22 11.543 -7.327 -3.978
169 HD2 HIS 22 2HD HIS 22 10.970 -3.241 -3.220
170 HE1 HIS 22 1HE HIS 22 9.153 -7.003 -3.135
171 H HIS 23 H HIS 23 14.121 -4.711 -8.178
172 HA HIS 23 HA HIS 23 15.919 -4.336 -9.280
173 HB2 HIS 23 2HB HIS 23 17.010 -2.852 -6.842
174 HB3 HIS 23 1HB HIS 23 17.661 -2.757 -8.517
175 HD1 HIS 23 1HD HIS 23 16.665 -0.190 -7.118
176 HD2 HIS 23 2HD HIS 23 14.226 -2.524 -9.614
177 HE1 HIS 23 1HE HIS 23 14.797 1.297 -8.030
Start of MODEL 7
1 H1 PHE 1 1HT PHE 1 -15.204 2.643 -3.061
2 H2 PHE 1 2HT PHE 1 -13.570 2.240 -2.826
3 H3 PHE 1 3HT PHE 1 -14.586 2.483 -1.487
4 HA PHE 1 HA PHE 1 -14.813 0.364 -3.495
5 HB2 PHE 1 2HB PHE 1 -14.095 -1.255 -1.765
6 HB3 PHE 1 1HB PHE 1 -12.849 0.009 -1.999
7 HD1 PHE 1 2HD PHE 1 -12.597 1.845 -0.269
8 HD2 PHE 1 1HD PHE 1 -15.166 -1.540 0.346
9 HE1 PHE 1 2HE PHE 1 -12.653 2.326 2.157
10 HE2 PHE 1 1HE PHE 1 -15.222 -1.062 2.773
11 HZ PHE 1 HZ PHE 1 -13.972 0.879 3.682
12 H GLU 2 H GLU 2 -16.190 -1.562 -2.427
13 HA GLU 2 HA GLU 2 -18.788 -0.384 -1.884
14 HB2 GLU 2 2HB GLU 2 -17.912 -3.266 -2.492
15 HB3 GLU 2 1HB GLU 2 -19.609 -2.750 -2.157
16 HG2 GLU 2 2HG GLU 2 -19.533 -1.229 -4.159
17 HG3 GLU 2 1HG GLU 2 -17.840 -1.754 -4.490
18 H ASP 3 H ASP 3 -17.426 -3.479 -0.630
19 HA ASP 3 HA ASP 3 -17.162 -2.462 1.993
20 HB2 ASP 3 2HB ASP 3 -18.616 -4.175 3.101
21 HB3 ASP 3 1HB ASP 3 -19.520 -2.840 2.310
22 H LEU 4 H LEU 4 -15.195 -3.066 2.083
23 HA LEU 4 HA LEU 4 -14.483 -5.872 1.550
24 HB2 LEU 4 2HB LEU 4 -12.736 -3.325 1.331
25 HB3 LEU 4 1HB LEU 4 -12.122 -4.995 1.096
26 HG LEU 4 HG LEU 4 -14.195 -3.570 -0.676
27 HD11 LEU 4 1HD1 LEU 4 -11.214 -4.176 -1.188
28 HD12 LEU 4 2HD1 LEU 4 -11.926 -2.557 -0.831
29 HD13 LEU 4 3HD1 LEU 4 -12.369 -3.419 -2.352
30 HD21 LEU 4 3HD2 LEU 4 -12.801 -6.300 -1.051
31 HD22 LEU 4 1HD2 LEU 4 -13.834 -5.467 -2.273
32 HD23 LEU 4 2HD2 LEU 4 -14.555 -6.031 -0.725
33 HA PRO 5 HA PRO 5 -13.243 -5.718 5.761
34 HB2 PRO 5 2HB PRO 5 -10.899 -7.521 5.048
35 HB3 PRO 5 1HB PRO 5 -12.266 -7.842 6.192
36 HG2 PRO 5 2HG PRO 5 -12.220 -9.109 3.773
37 HG3 PRO 5 1HG PRO 5 -13.781 -8.320 4.297
38 HD2 PRO 5 2HD PRO 5 -11.627 -7.019 2.573
39 HD3 PRO 5 1HD PRO 5 -13.375 -7.360 2.157
40 H ASN 6 H ASN 6 -11.116 -5.656 7.126
41 HA ASN 6 HA ASN 6 -9.980 -3.120 6.635
42 HB2 ASN 6 2HB ASN 6 -9.124 -5.278 8.679
43 HB3 ASN 6 1HB ASN 6 -8.593 -3.555 8.699
44 HD21 ASN 6 1HD2 ASN 6 -10.861 -5.719 9.975
45 HD22 ASN 6 2HD2 ASN 6 -12.090 -4.578 10.480
46 H PHE 7 H PHE 7 -8.609 -6.451 6.619
47 HA PHE 7 HA PHE 7 -6.078 -5.532 5.618
48 HB2 PHE 7 2HB PHE 7 -7.179 -8.375 6.086
49 HB3 PHE 7 1HB PHE 7 -5.462 -7.973 5.674
50 HD1 PHE 7 1HD PHE 7 -4.268 -6.241 7.216
51 HD2 PHE 7 2HD PHE 7 -7.804 -8.404 8.365
52 HE1 PHE 7 1HE PHE 7 -3.770 -5.796 9.597
53 HE2 PHE 7 2HE PHE 7 -7.301 -7.957 10.745
54 HZ PHE 7 HZ PHE 7 -5.286 -6.650 11.365
55 H GLY 8 H GLY 8 -9.029 -5.850 4.161
56 HA2 GLY 8 2HA GLY 8 -8.080 -6.988 1.669
57 HA3 GLY 8 1HA GLY 8 -9.716 -6.382 2.106
58 H HIS 9 H HIS 9 -7.346 -4.215 3.148
59 HA HIS 9 HA HIS 9 -7.451 -2.622 0.677
60 HB2 HIS 9 2HB HIS 9 -7.233 -1.649 3.590
61 HB3 HIS 9 1HB HIS 9 -7.226 -0.603 2.123
62 HD1 HIS 9 1HD HIS 9 -9.631 -1.390 0.550
63 HD2 HIS 9 2HD HIS 9 -9.705 -1.484 4.744
64 HE1 HIS 9 1HE HIS 9 -12.068 -1.278 1.305
65 H ILE 10 H ILE 10 -5.572 -4.102 3.258
66 HA ILE 10 HA ILE 10 -3.157 -2.681 2.710
67 HB ILE 10 HB ILE 10 -3.935 -5.049 4.474
68 HG12 ILE 10 2HG1 ILE 10 -2.793 -3.495 6.196
69 HG13 ILE 10 1HG1 ILE 10 -2.795 -2.226 4.923
70 HG21 ILE 10 1HG2 ILE 10 -1.541 -5.111 5.287
71 HG22 ILE 10 2HG2 ILE 10 -1.062 -4.053 3.912
72 HG23 ILE 10 3HG2 ILE 10 -1.710 -5.715 3.612
73 HD11 ILE 10 3HD1 ILE 10 -5.324 -2.287 4.913
74 HD12 ILE 10 1HD1 ILE 10 -4.674 -1.960 6.555
75 HD13 ILE 10 2HD1 ILE 10 -5.276 -3.605 6.151
76 H GLN 11 H GLN 11 -4.609 -5.786 1.882
77 HA GLN 11 HA GLN 11 -2.360 -6.848 0.585
78 HB2 GLN 11 2HB GLN 11 -3.795 -8.548 -0.376
79 HB3 GLN 11 1HB GLN 11 -4.250 -8.250 1.337
80 HG2 GLN 11 2HG GLN 11 -6.179 -6.806 0.544
81 HG3 GLN 11 1HG GLN 11 -5.747 -7.193 -1.164
82 HE21 GLN 11 1HE2 GLN 11 -8.163 -7.913 -0.823
83 HE22 GLN 11 2HE2 GLN 11 -8.394 -9.610 -0.453
84 H VAL 12 H VAL 12 -4.715 -4.481 -0.474
85 HA VAL 12 HA VAL 12 -4.445 -4.891 -3.250
86 HB VAL 12 HB VAL 12 -5.500 -2.514 -1.638
87 HG11 VAL 12 1HG1 VAL 12 -4.985 -1.769 -3.947
88 HG12 VAL 12 2HG1 VAL 12 -6.760 -1.974 -3.773
89 HG13 VAL 12 3HG1 VAL 12 -5.796 -3.229 -4.637
90 HG21 VAL 12 3HG2 VAL 12 -6.709 -4.638 -1.142
91 HG22 VAL 12 1HG2 VAL 12 -6.898 -4.967 -2.906
92 HG23 VAL 12 2HG2 VAL 12 -7.735 -3.562 -2.148
93 H LYS 13 H LYS 13 -2.663 -3.071 -0.816
94 HA LYS 13 HA LYS 13 -1.527 -1.295 -2.718
95 HB2 LYS 13 2HB LYS 13 -0.491 -0.187 -0.954
96 HB3 LYS 13 1HB LYS 13 -1.968 -0.900 -0.161
97 HG2 LYS 13 2HG LYS 13 -0.445 -1.416 1.449
98 HG3 LYS 13 1HG LYS 13 -0.159 -2.846 0.401
99 HD2 LYS 13 2HD LYS 13 1.671 -1.466 -0.760
100 HD3 LYS 13 1HD LYS 13 1.446 -0.218 0.505
101 HE2 LYS 13 2HE LYS 13 2.087 -1.897 2.285
102 HE3 LYS 13 1HE LYS 13 2.275 -3.171 1.011
103 HZ1 LYS 13 3HZ LYS 13 4.003 -1.842 0.011
104 HZ2 LYS 13 1HZ LYS 13 4.363 -2.197 1.632
105 HZ3 LYS 13 2HZ LYS 13 3.828 -0.643 1.202
106 H VAL 14 H VAL 14 -0.726 -4.318 -1.523
107 HA VAL 14 HA VAL 14 1.997 -4.274 -2.080
108 HB VAL 14 HB VAL 14 -0.076 -6.586 -2.111
109 HG11 VAL 14 1HG1 VAL 14 3.000 -6.682 -1.951
110 HG12 VAL 14 2HG1 VAL 14 1.912 -7.349 -3.239
111 HG13 VAL 14 3HG1 VAL 14 1.899 -8.075 -1.591
112 HG21 VAL 14 3HG2 VAL 14 -0.171 -5.372 -0.034
113 HG22 VAL 14 1HG2 VAL 14 1.629 -5.400 0.162
114 HG23 VAL 14 2HG2 VAL 14 0.669 -6.932 0.269
115 H PHE 15 H PHE 15 -0.881 -4.715 -3.768
116 HA PHE 15 HA PHE 15 0.160 -6.107 -6.102
117 HB2 PHE 15 2HB PHE 15 -2.630 -4.854 -5.744
118 HB3 PHE 15 1HB PHE 15 -2.136 -5.991 -7.051
119 HD1 PHE 15 1HD PHE 15 -0.471 -7.776 -4.751
120 HD2 PHE 15 2HD PHE 15 -4.485 -6.318 -5.326
121 HE1 PHE 15 1HE PHE 15 -1.344 -9.647 -3.431
122 HE2 PHE 15 2HE PHE 15 -5.350 -8.204 -3.985
123 HZ PHE 15 HZ PHE 15 -3.783 -9.874 -3.033
124 H ASN 16 H ASN 16 -0.572 -2.812 -5.117
125 HA ASN 16 HA ASN 16 -0.410 -1.674 -7.726
126 HB2 ASN 16 2HB ASN 16 -1.700 -0.651 -5.785
127 HB3 ASN 16 1HB ASN 16 -0.148 -0.368 -4.934
128 HD21 ASN 16 1HD2 ASN 16 0.776 1.630 -5.282
129 HD22 ASN 16 2HD2 ASN 16 0.430 2.706 -6.622
130 H HIS 17 H HIS 17 1.783 -2.127 -4.844
131 HA HIS 17 HA HIS 17 3.861 -0.779 -5.800
132 HB2 HIS 17 2HB HIS 17 3.458 -1.110 -3.429
133 HB3 HIS 17 1HB HIS 17 3.467 -2.890 -3.644
134 HD1 HIS 17 1HD HIS 17 6.087 -0.030 -4.019
135 HD2 HIS 17 2HD HIS 17 5.713 -4.072 -3.008
136 HE1 HIS 17 1HE HIS 17 8.388 -0.858 -3.276
137 H GLY 18 H GLY 18 6.084 -1.764 -6.240
138 HA2 GLY 18 2HA GLY 18 6.200 -4.503 -7.056
139 HA3 GLY 18 1HA GLY 18 6.312 -3.263 -8.387
140 H GLU 19 H GLU 19 8.107 -1.980 -8.545
141 HA GLU 19 HA GLU 19 10.107 -1.254 -8.351
142 HB2 GLU 19 2HB GLU 19 9.768 -1.497 -5.324
143 HB3 GLU 19 1HB GLU 19 11.074 -0.593 -6.174
144 HG2 GLU 19 2HG GLU 19 9.331 0.879 -7.257
145 HG3 GLU 19 1HG GLU 19 8.042 0.002 -6.350
146 H HIS 20 H HIS 20 10.912 -3.100 -9.486
147 HA HIS 20 HA HIS 20 12.266 -5.118 -7.879
148 HB2 HIS 20 2HB HIS 20 12.645 -6.253 -10.106
149 HB3 HIS 20 1HB HIS 20 10.930 -6.021 -9.660
150 HD1 HIS 20 1HD HIS 20 13.497 -4.279 -11.969
151 HD2 HIS 20 2HD HIS 20 9.357 -4.761 -11.487
152 HE1 HIS 20 1HE HIS 20 12.333 -3.214 -13.979
153 H ILE 21 H ILE 21 14.489 -5.779 -9.136
154 HA ILE 21 HA ILE 21 16.159 -3.510 -8.645
155 HB ILE 21 HB ILE 21 17.965 -5.243 -8.753
156 HG12 ILE 21 2HG1 ILE 21 15.641 -7.256 -9.025
157 HG13 ILE 21 1HG1 ILE 21 16.715 -6.779 -10.383
158 HG21 ILE 21 1HG2 ILE 21 16.804 -4.524 -6.662
159 HG22 ILE 21 2HG2 ILE 21 17.347 -6.237 -6.592
160 HG23 ILE 21 3HG2 ILE 21 15.608 -5.859 -6.868
161 HD11 ILE 21 3HD1 ILE 21 17.487 -8.903 -9.418
162 HD12 ILE 21 1HD1 ILE 21 17.624 -8.165 -7.780
163 HD13 ILE 21 2HD1 ILE 21 18.711 -7.616 -9.113
164 H HIS 22 H HIS 22 18.384 -4.137 -10.206
165 HA HIS 22 HA HIS 22 17.624 -3.019 -12.722
166 HB2 HIS 22 2HB HIS 22 19.714 -2.296 -11.548
167 HB3 HIS 22 1HB HIS 22 20.339 -3.975 -11.630
168 HD1 HIS 22 1HD HIS 22 19.180 -1.256 -14.144
169 HD2 HIS 22 2HD HIS 22 21.902 -4.436 -13.854
170 HE1 HIS 22 1HE HIS 22 20.569 -1.312 -16.289
171 H HIS 23 H HIS 23 18.872 -6.057 -11.438
172 HA HIS 23 HA HIS 23 18.891 -8.097 -12.075
173 HB2 HIS 23 2HB HIS 23 17.416 -7.455 -14.674
174 HB3 HIS 23 1HB HIS 23 17.756 -9.080 -13.995
175 HD1 HIS 23 1HD HIS 23 15.529 -6.037 -13.386
176 HD2 HIS 23 2HD HIS 23 16.028 -9.947 -11.951
177 HE1 HIS 23 1HE HIS 23 13.516 -6.610 -11.924
Start of MODEL 8
1 H1 PHE 1 1HT PHE 1 -17.103 -4.334 -3.452
2 H2 PHE 1 2HT PHE 1 -16.912 -2.889 -4.324
3 H3 PHE 1 3HT PHE 1 -18.364 -3.194 -3.495
4 HA PHE 1 HA PHE 1 -17.257 -3.110 -1.410
5 HB2 PHE 1 2HB PHE 1 -14.740 -2.585 -3.135
6 HB3 PHE 1 1HB PHE 1 -14.818 -2.152 -1.387
7 HD1 PHE 1 2HD PHE 1 -15.348 -3.928 0.320
8 HD2 PHE 1 1HD PHE 1 -14.252 -4.850 -3.735
9 HE1 PHE 1 2HE PHE 1 -14.698 -6.212 1.012
10 HE2 PHE 1 1HE PHE 1 -13.597 -7.131 -3.037
11 HZ PHE 1 HZ PHE 1 -13.817 -7.816 -0.663
12 H GLU 2 H GLU 2 -15.472 -0.777 -3.347
13 HA GLU 2 HA GLU 2 -15.565 1.338 -3.691
14 HB2 GLU 2 2HB GLU 2 -18.320 1.561 -2.394
15 HB3 GLU 2 1HB GLU 2 -17.452 2.867 -3.267
16 HG2 GLU 2 2HG GLU 2 -18.473 0.222 -4.505
17 HG3 GLU 2 1HG GLU 2 -19.231 1.845 -4.675
18 H ASP 3 H ASP 3 -15.545 -0.242 -0.787
19 HA ASP 3 HA ASP 3 -13.940 1.691 0.418
20 HB2 ASP 3 2HB ASP 3 -15.141 1.723 2.651
21 HB3 ASP 3 1HB ASP 3 -15.922 2.727 1.385
22 H LEU 4 H LEU 4 -12.358 0.322 0.657
23 HA LEU 4 HA LEU 4 -12.819 -2.479 0.826
24 HB2 LEU 4 2HB LEU 4 -10.233 -0.801 1.032
25 HB3 LEU 4 1HB LEU 4 -10.238 -2.592 0.948
26 HG LEU 4 HG LEU 4 -11.331 -0.738 -1.245
27 HD11 LEU 4 1HD1 LEU 4 -8.642 -2.248 -1.129
28 HD12 LEU 4 2HD1 LEU 4 -8.865 -0.465 -0.949
29 HD13 LEU 4 3HD1 LEU 4 -9.267 -1.273 -2.511
30 HD21 LEU 4 3HD2 LEU 4 -12.390 -3.000 -1.280
31 HD22 LEU 4 1HD2 LEU 4 -10.765 -3.777 -1.267
32 HD23 LEU 4 2HD2 LEU 4 -11.283 -2.787 -2.681
33 HA PRO 5 HA PRO 5 -12.373 -2.862 5.231
34 HB2 PRO 5 2HB PRO 5 -10.960 -5.499 4.726
35 HB3 PRO 5 1HB PRO 5 -12.521 -5.204 5.594
36 HG2 PRO 5 2HG PRO 5 -12.537 -6.362 3.109
37 HG3 PRO 5 1HG PRO 5 -13.723 -5.017 3.454
38 HD2 PRO 5 2HD PRO 5 -10.978 -4.660 2.172
39 HD3 PRO 5 1HD PRO 5 -12.633 -4.269 1.504
40 H ASN 6 H ASN 6 -10.612 -3.761 6.832
41 HA ASN 6 HA ASN 6 -8.356 -2.067 6.538
42 HB2 ASN 6 2HB ASN 6 -9.461 -2.603 8.764
43 HB3 ASN 6 1HB ASN 6 -8.861 -4.288 8.630
44 HD21 ASN 6 1HD2 ASN 6 -7.641 -0.855 8.438
45 HD22 ASN 6 2HD2 ASN 6 -6.154 -1.142 9.319
46 H PHE 7 H PHE 7 -8.827 -5.634 6.590
47 HA PHE 7 HA PHE 7 -6.108 -6.202 5.990
48 HB2 PHE 7 2HB PHE 7 -6.963 -8.607 5.800
49 HB3 PHE 7 1HB PHE 7 -7.308 -7.810 7.375
50 HD1 PHE 7 1HD PHE 7 -9.605 -7.081 7.953
51 HD2 PHE 7 2HD PHE 7 -8.792 -9.209 4.306
52 HE1 PHE 7 1HE PHE 7 -12.017 -7.552 7.687
53 HE2 PHE 7 2HE PHE 7 -11.205 -9.675 4.042
54 HZ PHE 7 HZ PHE 7 -12.824 -8.843 5.729
55 H GLY 8 H GLY 8 -9.107 -5.868 4.190
56 HA2 GLY 8 2HA GLY 8 -7.990 -7.009 1.784
57 HA3 GLY 8 1HA GLY 8 -9.639 -6.366 2.083
58 H HIS 9 H HIS 9 -7.201 -4.172 3.131
59 HA HIS 9 HA HIS 9 -7.289 -2.657 0.630
60 HB2 HIS 9 2HB HIS 9 -8.029 -1.259 2.509
61 HB3 HIS 9 1HB HIS 9 -6.724 -1.915 3.554
62 HD1 HIS 9 1HD HIS 9 -7.039 0.383 0.447
63 HD2 HIS 9 2HD HIS 9 -4.342 -0.670 3.471
64 HE1 HIS 9 1HE HIS 9 -5.007 1.923 0.251
65 H ILE 10 H ILE 10 -5.397 -4.235 3.162
66 HA ILE 10 HA ILE 10 -2.857 -3.399 2.294
67 HB ILE 10 HB ILE 10 -3.805 -5.488 4.230
68 HG12 ILE 10 2HG1 ILE 10 -2.592 -2.646 4.289
69 HG13 ILE 10 1HG1 ILE 10 -4.244 -3.136 4.796
70 HG21 ILE 10 1HG2 ILE 10 -1.646 -6.308 3.297
71 HG22 ILE 10 2HG2 ILE 10 -1.390 -5.670 4.943
72 HG23 ILE 10 3HG2 ILE 10 -0.904 -4.675 3.518
73 HD11 ILE 10 3HD1 ILE 10 -3.178 -4.533 6.644
74 HD12 ILE 10 1HD1 ILE 10 -2.887 -2.749 6.776
75 HD13 ILE 10 2HD1 ILE 10 -1.582 -3.824 6.152
76 H GLN 11 H GLN 11 -5.009 -6.086 1.503
77 HA GLN 11 HA GLN 11 -3.179 -7.817 0.353
78 HB2 GLN 11 2HB GLN 11 -5.188 -8.636 1.377
79 HB3 GLN 11 1HB GLN 11 -6.178 -7.330 0.642
80 HG2 GLN 11 2HG GLN 11 -6.096 -8.302 -1.525
81 HG3 GLN 11 1HG GLN 11 -4.967 -9.623 -0.982
82 HE21 GLN 11 1HE2 GLN 11 -7.027 -10.749 -2.075
83 HE22 GLN 11 2HE2 GLN 11 -8.281 -11.258 -0.961
84 H VAL 12 H VAL 12 -4.952 -4.968 -0.712
85 HA VAL 12 HA VAL 12 -4.637 -5.631 -3.522
86 HB VAL 12 HB VAL 12 -5.989 -3.254 -2.156
87 HG11 VAL 12 1HG1 VAL 12 -7.039 -2.954 -4.462
88 HG12 VAL 12 2HG1 VAL 12 -5.904 -4.200 -5.109
89 HG13 VAL 12 3HG1 VAL 12 -5.271 -2.642 -4.462
90 HG21 VAL 12 3HG2 VAL 12 -8.099 -4.461 -2.798
91 HG22 VAL 12 1HG2 VAL 12 -7.121 -5.432 -1.647
92 HG23 VAL 12 2HG2 VAL 12 -7.122 -5.852 -3.399
93 H LYS 13 H LYS 13 -3.339 -3.525 -1.002
94 HA LYS 13 HA LYS 13 -2.253 -1.667 -2.863
95 HB2 LYS 13 2HB LYS 13 -1.599 -0.346 -1.023
96 HB3 LYS 13 1HB LYS 13 -3.162 -1.131 -0.539
97 HG2 LYS 13 2HG LYS 13 -2.023 -1.436 1.412
98 HG3 LYS 13 1HG LYS 13 -1.468 -2.911 0.551
99 HD2 LYS 13 2HD LYS 13 0.513 -1.435 -0.285
100 HD3 LYS 13 1HD LYS 13 -0.038 -0.202 0.879
101 HE2 LYS 13 2HE LYS 13 1.811 -1.530 1.894
102 HE3 LYS 13 1HE LYS 13 0.273 -1.892 2.780
103 HZ1 LYS 13 3HZ LYS 13 1.532 -3.865 2.295
104 HZ2 LYS 13 1HZ LYS 13 1.497 -3.541 0.627
105 HZ3 LYS 13 2HZ LYS 13 0.054 -3.887 1.455
106 H VAL 14 H VAL 14 -1.105 -4.421 -1.507
107 HA VAL 14 HA VAL 14 1.620 -3.889 -1.610
108 HB VAL 14 HB VAL 14 0.492 -5.755 -0.474
109 HG11 VAL 14 1HG1 VAL 14 0.049 -7.154 -3.161
110 HG12 VAL 14 2HG1 VAL 14 -1.224 -6.330 -2.183
111 HG13 VAL 14 3HG1 VAL 14 -0.360 -7.762 -1.523
112 HG21 VAL 14 3HG2 VAL 14 2.484 -6.766 -2.603
113 HG22 VAL 14 1HG2 VAL 14 2.208 -7.537 -0.992
114 HG23 VAL 14 2HG2 VAL 14 2.973 -5.898 -1.090
115 H PHE 15 H PHE 15 -0.665 -4.788 -3.800
116 HA PHE 15 HA PHE 15 1.046 -5.506 -6.055
117 HB2 PHE 15 2HB PHE 15 -1.996 -4.950 -6.039
118 HB3 PHE 15 1HB PHE 15 -1.069 -5.540 -7.472
119 HD1 PHE 15 1HD PHE 15 0.618 -7.624 -6.774
120 HD2 PHE 15 2HD PHE 15 -3.164 -6.654 -4.971
121 HE1 PHE 15 1HE PHE 15 0.355 -9.972 -6.059
122 HE2 PHE 15 2HE PHE 15 -3.436 -9.017 -4.286
123 HZ PHE 15 HZ PHE 15 -1.672 -10.675 -4.815
124 H ASN 16 H ASN 16 -0.583 -2.602 -4.885
125 HA ASN 16 HA ASN 16 -0.228 -1.139 -7.321
126 HB2 ASN 16 2HB ASN 16 -0.947 -0.199 -4.472
127 HB3 ASN 16 1HB ASN 16 -1.029 0.821 -5.960
128 HD21 ASN 16 1HD2 ASN 16 -3.230 0.240 -4.171
129 HD22 ASN 16 2HD2 ASN 16 -4.449 -0.621 -5.090
130 H HIS 17 H HIS 17 1.477 -1.470 -4.147
131 HA HIS 17 HA HIS 17 2.848 0.773 -4.370
132 HB2 HIS 17 2HB HIS 17 3.923 0.271 -2.325
133 HB3 HIS 17 1HB HIS 17 2.248 -0.366 -2.267
134 HD1 HIS 17 1HD HIS 17 3.160 -1.705 -0.216
135 HD2 HIS 17 2HD HIS 17 4.844 -2.934 -3.862
136 HE1 HIS 17 1HE HIS 17 4.338 -3.941 0.150
137 H GLY 18 H GLY 18 5.483 0.411 -3.638
138 HA2 GLY 18 2HA GLY 18 6.794 -1.227 -5.641
139 HA3 GLY 18 1HA GLY 18 6.994 0.582 -5.685
140 H GLU 19 H GLU 19 7.027 1.334 -3.138
141 HA GLU 19 HA GLU 19 8.181 1.603 -1.361
142 HB2 GLU 19 2HB GLU 19 8.727 -1.409 -1.305
143 HB3 GLU 19 1HB GLU 19 8.962 -0.271 0.063
144 HG2 GLU 19 2HG GLU 19 6.268 -0.963 -1.292
145 HG3 GLU 19 1HG GLU 19 6.862 -1.608 0.278
146 H HIS 20 H HIS 20 9.469 2.578 -3.273
147 HA HIS 20 HA HIS 20 12.285 1.797 -2.929
148 HB2 HIS 20 2HB HIS 20 12.598 2.765 -5.312
149 HB3 HIS 20 1HB HIS 20 11.753 1.198 -5.195
150 HD1 HIS 20 1HD HIS 20 10.698 4.898 -5.603
151 HD2 HIS 20 2HD HIS 20 9.333 1.011 -6.382
152 HE1 HIS 20 1HE HIS 20 8.513 5.073 -6.911
153 H ILE 21 H ILE 21 13.327 4.206 -4.120
154 HA ILE 21 HA ILE 21 12.381 6.182 -2.219
155 HB ILE 21 HB ILE 21 14.416 7.427 -3.067
156 HG12 ILE 21 2HG1 ILE 21 15.232 4.642 -4.112
157 HG13 ILE 21 1HG1 ILE 21 14.748 6.023 -5.157
158 HG21 ILE 21 1HG2 ILE 21 14.732 4.755 -1.558
159 HG22 ILE 21 2HG2 ILE 21 14.085 6.289 -0.871
160 HG23 ILE 21 3HG2 ILE 21 15.806 6.200 -1.407
161 HD11 ILE 21 3HD1 ILE 21 17.170 5.974 -3.241
162 HD12 ILE 21 1HD1 ILE 21 16.647 7.389 -4.233
163 HD13 ILE 21 2HD1 ILE 21 17.207 5.877 -5.038
164 H HIS 22 H HIS 22 11.723 8.178 -2.856
165 HA HIS 22 HA HIS 22 10.537 9.585 -3.945
166 HB2 HIS 22 2HB HIS 22 11.411 8.427 -6.644
167 HB3 HIS 22 1HB HIS 22 10.563 9.983 -6.355
168 HD1 HIS 22 1HD HIS 22 13.994 8.370 -5.707
169 HD2 HIS 22 2HD HIS 22 12.169 12.148 -5.712
170 HE1 HIS 22 1HE HIS 22 15.823 10.136 -5.448
171 H HIS 23 H HIS 23 9.702 6.842 -3.118
172 HA HIS 23 HA HIS 23 7.574 6.152 -4.926
173 HB2 HIS 23 2HB HIS 23 8.763 4.399 -3.595
174 HB3 HIS 23 1HB HIS 23 8.172 5.155 -2.082
175 HD1 HIS 23 1HD HIS 23 6.564 3.786 -5.340
176 HD2 HIS 23 2HD HIS 23 5.884 3.890 -1.202
177 HE1 HIS 23 1HE HIS 23 4.433 2.464 -4.852
Start of MODEL 9
1 H1 PHE 1 1HT PHE 1 -13.824 -3.256 8.612
2 H2 PHE 1 2HT PHE 1 -14.763 -3.128 7.202
3 H3 PHE 1 3HT PHE 1 -14.848 -4.533 8.151
4 HA PHE 1 HA PHE 1 -15.789 -3.318 9.958
5 HB2 PHE 1 2HB PHE 1 -15.770 -0.922 7.980
6 HB3 PHE 1 1HB PHE 1 -16.535 -0.893 9.612
7 HD1 PHE 1 2HD PHE 1 -14.813 -1.843 11.548
8 HD2 PHE 1 1HD PHE 1 -13.779 0.268 7.946
9 HE1 PHE 1 2HE PHE 1 -12.761 -0.995 12.629
10 HE2 PHE 1 1HE PHE 1 -11.728 1.115 9.033
11 HZ PHE 1 HZ PHE 1 -11.220 0.493 11.380
12 H GLU 2 H GLU 2 -18.120 -1.708 9.259
13 HA GLU 2 HA GLU 2 -19.741 -3.587 7.772
14 HB2 GLU 2 2HB GLU 2 -20.410 -0.863 9.048
15 HB3 GLU 2 1HB GLU 2 -21.605 -1.999 8.331
16 HG2 GLU 2 2HG GLU 2 -19.846 -2.515 10.826
17 HG3 GLU 2 1HG GLU 2 -21.599 -2.107 10.818
18 H ASP 3 H ASP 3 -17.802 -0.699 7.345
19 HA ASP 3 HA ASP 3 -18.810 -0.053 4.710
20 HB2 ASP 3 2HB ASP 3 -18.339 1.660 6.649
21 HB3 ASP 3 1HB ASP 3 -16.611 1.271 6.374
22 H LEU 4 H LEU 4 -16.245 0.710 4.423
23 HA LEU 4 HA LEU 4 -15.205 -1.372 2.886
24 HB2 LEU 4 2HB LEU 4 -13.037 0.049 2.599
25 HB3 LEU 4 1HB LEU 4 -14.605 0.597 1.952
26 HG LEU 4 HG LEU 4 -14.971 2.047 3.879
27 HD11 LEU 4 1HD1 LEU 4 -12.102 1.309 4.751
28 HD12 LEU 4 2HD1 LEU 4 -13.625 1.102 5.699
29 HD13 LEU 4 3HD1 LEU 4 -13.011 2.748 5.346
30 HD21 LEU 4 3HD2 LEU 4 -13.367 3.826 3.178
31 HD22 LEU 4 1HD2 LEU 4 -13.999 2.906 1.762
32 HD23 LEU 4 2HD2 LEU 4 -12.333 2.583 2.375
33 HA PRO 5 HA PRO 5 -13.003 -3.756 5.670
34 HB2 PRO 5 2HB PRO 5 -10.850 -4.265 3.574
35 HB3 PRO 5 1HB PRO 5 -11.913 -5.467 4.415
36 HG2 PRO 5 2HG PRO 5 -12.429 -4.802 1.831
37 HG3 PRO 5 1HG PRO 5 -13.823 -4.789 3.006
38 HD2 PRO 5 2HD PRO 5 -12.060 -2.402 2.240
39 HD3 PRO 5 1HD PRO 5 -13.869 -2.570 2.049
40 H ASN 6 H ASN 6 -10.684 -4.529 6.311
41 HA ASN 6 HA ASN 6 -9.013 -2.162 6.908
42 HB2 ASN 6 2HB ASN 6 -9.493 -4.746 8.548
43 HB3 ASN 6 1HB ASN 6 -8.191 -3.548 8.906
44 HD21 ASN 6 1HD2 ASN 6 -11.617 -4.259 9.214
45 HD22 ASN 6 2HD2 ASN 6 -12.075 -2.777 10.032
46 H PHE 7 H PHE 7 -8.856 -5.777 6.735
47 HA PHE 7 HA PHE 7 -6.137 -5.638 5.896
48 HB2 PHE 7 2HB PHE 7 -7.054 -7.396 7.507
49 HB3 PHE 7 1HB PHE 7 -7.978 -8.109 6.136
50 HD1 PHE 7 2HD PHE 7 -4.475 -7.051 7.122
51 HD2 PHE 7 1HD PHE 7 -6.900 -9.777 4.848
52 HE1 PHE 7 2HE PHE 7 -2.447 -8.291 6.444
53 HE2 PHE 7 1HE PHE 7 -4.869 -11.017 4.172
54 HZ PHE 7 HZ PHE 7 -2.638 -10.274 4.965
55 H GLY 8 H GLY 8 -9.204 -5.534 4.302
56 HA2 GLY 8 2HA GLY 8 -8.373 -6.852 1.886
57 HA3 GLY 8 1HA GLY 8 -9.888 -5.951 2.239
58 H HIS 9 H HIS 9 -7.289 -4.060 3.206
59 HA HIS 9 HA HIS 9 -7.149 -2.588 0.671
60 HB2 HIS 9 2HB HIS 9 -6.395 -1.811 3.557
61 HB3 HIS 9 1HB HIS 9 -6.117 -0.771 2.113
62 HD1 HIS 9 1HD HIS 9 -7.823 0.400 4.307
63 HD2 HIS 9 2HD HIS 9 -9.473 -1.780 1.122
64 HE1 HIS 9 1HE HIS 9 -10.245 1.148 3.997
65 H ILE 10 H ILE 10 -5.470 -4.480 3.111
66 HA ILE 10 HA ILE 10 -2.862 -3.607 2.505
67 HB ILE 10 HB ILE 10 -3.786 -6.170 3.931
68 HG12 ILE 10 2HG1 ILE 10 -4.923 -4.297 4.970
69 HG13 ILE 10 1HG1 ILE 10 -3.668 -4.985 6.049
70 HG21 ILE 10 1HG2 ILE 10 -1.397 -6.266 3.378
71 HG22 ILE 10 2HG2 ILE 10 -1.578 -5.966 5.140
72 HG23 ILE 10 3HG2 ILE 10 -1.122 -4.608 4.041
73 HD11 ILE 10 3HD1 ILE 10 -3.452 -2.351 4.446
74 HD12 ILE 10 1HD1 ILE 10 -2.175 -3.026 5.538
75 HD13 ILE 10 2HD1 ILE 10 -3.782 -2.539 6.207
76 H GLN 11 H GLN 11 -4.873 -6.355 1.570
77 HA GLN 11 HA GLN 11 -2.738 -7.765 0.328
78 HB2 GLN 11 2HB GLN 11 -4.493 -9.349 -0.425
79 HB3 GLN 11 1HB GLN 11 -4.615 -8.961 1.322
80 HG2 GLN 11 2HG GLN 11 -6.459 -7.266 0.771
81 HG3 GLN 11 1HG GLN 11 -6.394 -7.820 -0.941
82 HE21 GLN 11 1HE2 GLN 11 -6.777 -9.047 2.457
83 HE22 GLN 11 2HE2 GLN 11 -7.870 -10.356 2.055
84 H VAL 12 H VAL 12 -4.486 -5.009 -0.610
85 HA VAL 12 HA VAL 12 -4.420 -5.609 -3.462
86 HB VAL 12 HB VAL 12 -5.693 -3.296 -1.909
87 HG11 VAL 12 1HG1 VAL 12 -5.160 -2.613 -4.248
88 HG12 VAL 12 2HG1 VAL 12 -6.923 -2.912 -4.095
89 HG13 VAL 12 3HG1 VAL 12 -5.873 -4.146 -4.885
90 HG21 VAL 12 3HG2 VAL 12 -7.846 -4.498 -2.460
91 HG22 VAL 12 1HG2 VAL 12 -6.798 -5.453 -1.359
92 HG23 VAL 12 2HG2 VAL 12 -6.892 -5.883 -3.110
93 H LYS 13 H LYS 13 -2.950 -3.694 -0.892
94 HA LYS 13 HA LYS 13 -1.990 -1.681 -2.651
95 HB2 LYS 13 2HB LYS 13 -1.169 -0.545 -0.776
96 HB3 LYS 13 1HB LYS 13 -2.757 -1.301 -0.304
97 HG2 LYS 13 2HG LYS 13 -1.569 -1.708 1.588
98 HG3 LYS 13 1HG LYS 13 -1.174 -3.202 0.668
99 HD2 LYS 13 2HD LYS 13 0.950 -2.142 -0.097
100 HD3 LYS 13 1HD LYS 13 0.497 -0.626 0.723
101 HE2 LYS 13 2HE LYS 13 2.181 -1.901 2.094
102 HE3 LYS 13 1HE LYS 13 0.602 -1.772 2.974
103 HZ1 LYS 13 3HZ LYS 13 0.071 -3.991 2.233
104 HZ2 LYS 13 1HZ LYS 13 1.532 -3.967 3.098
105 HZ3 LYS 13 2HZ LYS 13 1.549 -4.115 1.406
106 H VAL 14 H VAL 14 -0.736 -4.548 -1.634
107 HA VAL 14 HA VAL 14 1.969 -3.981 -2.000
108 HB VAL 14 HB VAL 14 2.151 -6.489 -2.317
109 HG11 VAL 14 1HG1 VAL 14 2.065 -5.290 -0.070
110 HG12 VAL 14 2HG1 VAL 14 1.348 -6.955 0.032
111 HG13 VAL 14 3HG1 VAL 14 0.270 -5.511 -0.100
112 HG21 VAL 14 3HG2 VAL 14 0.108 -7.910 -1.906
113 HG22 VAL 14 1HG2 VAL 14 0.090 -7.093 -3.499
114 HG23 VAL 14 2HG2 VAL 14 -0.930 -6.464 -2.148
115 H PHE 15 H PHE 15 -0.578 -4.754 -3.918
116 HA PHE 15 HA PHE 15 0.888 -5.313 -6.406
117 HB2 PHE 15 2HB PHE 15 -2.162 -5.041 -6.026
118 HB3 PHE 15 1HB PHE 15 -1.349 -5.508 -7.566
119 HD1 PHE 15 1HD PHE 15 0.565 -7.454 -7.138
120 HD2 PHE 15 2HD PHE 15 -3.049 -6.860 -4.884
121 HE1 PHE 15 1HE PHE 15 0.588 -9.831 -6.476
122 HE2 PHE 15 2HE PHE 15 -3.036 -9.253 -4.246
123 HZ PHE 15 HZ PHE 15 -1.213 -10.738 -5.030
124 H ASN 16 H ASN 16 -0.638 -2.567 -4.849
125 HA ASN 16 HA ASN 16 -0.731 -0.924 -7.169
126 HB2 ASN 16 2HB ASN 16 -2.148 -0.544 -5.094
127 HB3 ASN 16 1HB ASN 16 -0.660 -0.137 -4.180
128 HD21 ASN 16 1HD2 ASN 16 -0.129 2.021 -4.131
129 HD22 ASN 16 2HD2 ASN 16 -0.693 3.247 -5.250
130 H HIS 17 H HIS 17 1.540 -1.393 -4.348
131 HA HIS 17 HA HIS 17 3.342 0.394 -5.138
132 HB2 HIS 17 2HB HIS 17 3.651 -2.054 -3.338
133 HB3 HIS 17 1HB HIS 17 4.877 -0.738 -3.474
134 HD1 HIS 17 1HD HIS 17 4.020 -0.983 -0.733
135 HD2 HIS 17 2HD HIS 17 1.670 1.240 -3.407
136 HE1 HIS 17 1HE HIS 17 2.581 0.638 0.619
137 H GLY 18 H GLY 18 5.691 -0.072 -5.758
138 HA2 GLY 18 2HA GLY 18 6.502 -2.538 -6.701
139 HA3 GLY 18 1HA GLY 18 5.857 -1.544 -8.084
140 H GLU 19 H GLU 19 7.661 -0.885 -5.058
141 HA GLU 19 HA GLU 19 9.462 0.123 -4.541
142 HB2 GLU 19 2HB GLU 19 10.508 -0.302 -7.376
143 HB3 GLU 19 1HB GLU 19 11.474 0.244 -5.960
144 HG2 GLU 19 2HG GLU 19 10.956 -1.908 -4.770
145 HG3 GLU 19 1HG GLU 19 10.027 -2.482 -6.206
146 H HIS 20 H HIS 20 8.913 2.136 -3.943
147 HA HIS 20 HA HIS 20 8.494 4.162 -6.007
148 HB2 HIS 20 2HB HIS 20 8.084 4.322 -2.969
149 HB3 HIS 20 1HB HIS 20 7.587 5.559 -4.183
150 HD1 HIS 20 1HD HIS 20 5.929 4.187 -6.198
151 HD2 HIS 20 2HD HIS 20 5.920 2.845 -2.223
152 HE1 HIS 20 1HE HIS 20 3.789 2.840 -5.816
153 H ILE 21 H ILE 21 9.363 6.440 -5.185
154 HA ILE 21 HA ILE 21 12.205 6.138 -4.824
155 HB ILE 21 HB ILE 21 12.080 8.700 -5.217
156 HG12 ILE 21 2HG1 ILE 21 10.192 9.434 -6.626
157 HG13 ILE 21 1HG1 ILE 21 9.284 7.929 -6.283
158 HG21 ILE 21 1HG2 ILE 21 12.072 8.276 -7.654
159 HG22 ILE 21 2HG2 ILE 21 11.305 6.664 -7.394
160 HG23 ILE 21 3HG2 ILE 21 12.970 6.988 -6.770
161 HD11 ILE 21 3HD1 ILE 21 10.126 9.999 -4.138
162 HD12 ILE 21 1HD1 ILE 21 9.012 8.598 -3.908
163 HD13 ILE 21 2HD1 ILE 21 8.523 9.968 -4.962
164 H HIS 22 H HIS 22 13.214 7.978 -3.449
165 HA HIS 22 HA HIS 22 11.932 7.993 -0.822
166 HB2 HIS 22 2HB HIS 22 14.288 7.179 -0.933
167 HB3 HIS 22 1HB HIS 22 14.801 8.717 -1.688
168 HD1 HIS 22 1HD HIS 22 14.519 10.908 0.020
169 HD2 HIS 22 2HD HIS 22 14.204 7.130 1.817
170 HE1 HIS 22 1HE HIS 22 14.811 11.199 2.543
171 H HIS 23 H HIS 23 13.871 10.107 -2.913
172 HA HIS 23 HA HIS 23 12.459 12.466 -1.970
173 HB2 HIS 23 2HB HIS 23 14.962 12.467 -2.154
174 HB3 HIS 23 1HB HIS 23 14.824 12.210 -3.923
175 HD1 HIS 23 1HD HIS 23 13.514 14.348 -5.205
176 HD2 HIS 23 2HD HIS 23 14.909 15.075 -1.315
177 HE1 HIS 23 1HE HIS 23 13.604 16.877 -4.852
Start of MODEL 10
1 H1 PHE 1 1HT PHE 1 -13.612 -3.117 -4.411
2 H2 PHE 1 2HT PHE 1 -12.625 -4.439 -4.004
3 H3 PHE 1 3HT PHE 1 -13.709 -3.804 -2.861
4 HA PHE 1 HA PHE 1 -14.447 -5.087 -5.408
5 HB2 PHE 1 2HB PHE 1 -14.760 -6.116 -2.495
6 HB3 PHE 1 1HB PHE 1 -15.372 -6.970 -3.967
7 HD1 PHE 1 2HD PHE 1 -12.818 -6.508 -5.752
8 HD2 PHE 1 1HD PHE 1 -13.409 -7.840 -1.697
9 HE1 PHE 1 2HE PHE 1 -10.693 -7.737 -5.840
10 HE2 PHE 1 1HE PHE 1 -11.277 -9.079 -1.802
11 HZ PHE 1 HZ PHE 1 -9.904 -9.019 -3.868
12 H GLU 2 H GLU 2 -16.650 -5.683 -2.913
13 HA GLU 2 HA GLU 2 -18.427 -3.532 -3.747
14 HB2 GLU 2 2HB GLU 2 -18.821 -5.925 -1.845
15 HB3 GLU 2 1HB GLU 2 -20.080 -4.700 -2.251
16 HG2 GLU 2 2HG GLU 2 -19.948 -5.382 -4.669
17 HG3 GLU 2 1HG GLU 2 -18.719 -6.634 -4.251
18 H ASP 3 H ASP 3 -17.261 -5.077 -0.682
19 HA ASP 3 HA ASP 3 -16.235 -2.643 0.264
20 HB2 ASP 3 2HB ASP 3 -17.411 -2.653 2.484
21 HB3 ASP 3 1HB ASP 3 -18.425 -2.073 1.119
22 H LEU 4 H LEU 4 -14.350 -3.492 0.534
23 HA LEU 4 HA LEU 4 -14.068 -6.180 1.577
24 HB2 LEU 4 2HB LEU 4 -11.539 -5.783 1.004
25 HB3 LEU 4 1HB LEU 4 -12.748 -6.138 -0.257
26 HG LEU 4 HG LEU 4 -12.971 -3.741 -0.781
27 HD11 LEU 4 1HD1 LEU 4 -12.170 -2.592 1.253
28 HD12 LEU 4 2HD1 LEU 4 -11.103 -2.149 -0.121
29 HD13 LEU 4 3HD1 LEU 4 -10.546 -3.358 1.095
30 HD21 LEU 4 3HD2 LEU 4 -10.836 -3.597 -2.080
31 HD22 LEU 4 1HD2 LEU 4 -11.556 -5.248 -2.136
32 HD23 LEU 4 2HD2 LEU 4 -10.138 -4.923 -1.077
33 HA PRO 5 HA PRO 5 -13.098 -4.792 5.513
34 HB2 PRO 5 2HB PRO 5 -10.796 -6.794 5.649
35 HB3 PRO 5 1HB PRO 5 -12.228 -6.633 6.749
36 HG2 PRO 5 2HG PRO 5 -12.210 -8.635 4.919
37 HG3 PRO 5 1HG PRO 5 -13.702 -7.588 4.998
38 HD2 PRO 5 2HD PRO 5 -11.314 -7.196 3.132
39 HD3 PRO 5 1HD PRO 5 -13.069 -7.451 2.703
40 H ASN 6 H ASN 6 -11.160 -4.583 7.147
41 HA ASN 6 HA ASN 6 -9.639 -2.318 6.356
42 HB2 ASN 6 2HB ASN 6 -9.422 -4.068 8.893
43 HB3 ASN 6 1HB ASN 6 -8.627 -2.463 8.672
44 HD21 ASN 6 1HD2 ASN 6 -10.258 -0.661 7.892
45 HD22 ASN 6 2HD2 ASN 6 -11.778 -0.594 8.762
46 H PHE 7 H PHE 7 -8.978 -5.782 6.867
47 HA PHE 7 HA PHE 7 -6.158 -5.548 6.336
48 HB2 PHE 7 2HB PHE 7 -7.989 -8.027 6.572
49 HB3 PHE 7 1HB PHE 7 -6.180 -8.050 6.525
50 HD1 PHE 7 1HD PHE 7 -4.940 -6.663 8.334
51 HD2 PHE 7 2HD PHE 7 -9.085 -7.765 8.646
52 HE1 PHE 7 1HE PHE 7 -4.861 -6.277 10.776
53 HE2 PHE 7 2HE PHE 7 -9.003 -7.377 11.088
54 HZ PHE 7 HZ PHE 7 -6.892 -6.632 12.157
55 H GLY 8 H GLY 8 -9.058 -5.641 4.503
56 HA2 GLY 8 2HA GLY 8 -7.940 -7.008 2.231
57 HA3 GLY 8 1HA GLY 8 -9.558 -6.246 2.436
58 H HIS 9 H HIS 9 -7.208 -4.061 3.483
59 HA HIS 9 HA HIS 9 -7.284 -2.603 0.956
60 HB2 HIS 9 2HB HIS 9 -6.205 -1.781 3.718
61 HB3 HIS 9 1HB HIS 9 -6.299 -0.725 2.261
62 HD1 HIS 9 1HD HIS 9 -9.205 -1.232 1.334
63 HD2 HIS 9 2HD HIS 9 -8.137 -0.704 5.355
64 HE1 HIS 9 1HE HIS 9 -11.272 -0.437 2.607
65 H ILE 10 H ILE 10 -5.216 -4.392 3.168
66 HA ILE 10 HA ILE 10 -2.757 -3.479 2.103
67 HB ILE 10 HB ILE 10 -3.482 -5.714 4.060
68 HG12 ILE 10 2HG1 ILE 10 -1.977 -3.886 5.434
69 HG13 ILE 10 1HG1 ILE 10 -2.716 -2.785 4.221
70 HG21 ILE 10 1HG2 ILE 10 -0.694 -4.703 3.164
71 HG22 ILE 10 2HG2 ILE 10 -1.352 -6.374 2.963
72 HG23 ILE 10 3HG2 ILE 10 -1.007 -5.742 4.603
73 HD11 ILE 10 3HD1 ILE 10 -4.055 -2.854 6.322
74 HD12 ILE 10 1HD1 ILE 10 -4.198 -4.646 6.201
75 HD13 ILE 10 2HD1 ILE 10 -5.012 -3.590 4.986
76 H GLN 11 H GLN 11 -4.928 -6.182 1.524
77 HA GLN 11 HA GLN 11 -3.055 -7.761 0.109
78 HB2 GLN 11 2HB GLN 11 -4.864 -9.213 -0.510
79 HB3 GLN 11 1HB GLN 11 -5.108 -8.682 1.188
80 HG2 GLN 11 2HG GLN 11 -6.754 -6.927 0.329
81 HG3 GLN 11 1HG GLN 11 -6.588 -7.626 -1.322
82 HE21 GLN 11 1HE2 GLN 11 -9.072 -7.644 -0.531
83 HE22 GLN 11 2HE2 GLN 11 -9.620 -9.210 0.033
84 H VAL 12 H VAL 12 -4.779 -4.885 -0.805
85 HA VAL 12 HA VAL 12 -4.664 -5.532 -3.644
86 HB VAL 12 HB VAL 12 -5.901 -3.129 -2.214
87 HG11 VAL 12 1HG1 VAL 12 -7.029 -2.816 -4.482
88 HG12 VAL 12 2HG1 VAL 12 -5.974 -4.116 -5.155
89 HG13 VAL 12 3HG1 VAL 12 -5.251 -2.577 -4.562
90 HG21 VAL 12 3HG2 VAL 12 -8.076 -4.280 -2.782
91 HG22 VAL 12 1HG2 VAL 12 -7.093 -5.231 -1.619
92 HG23 VAL 12 2HG2 VAL 12 -7.152 -5.720 -3.353
93 H LYS 13 H LYS 13 -3.313 -3.448 -1.126
94 HA LYS 13 HA LYS 13 -2.174 -1.617 -2.974
95 HB2 LYS 13 2HB LYS 13 -1.406 -0.380 -1.121
96 HB3 LYS 13 1HB LYS 13 -3.007 -1.091 -0.632
97 HG2 LYS 13 2HG LYS 13 -1.874 -1.511 1.293
98 HG3 LYS 13 1HG LYS 13 -1.364 -2.983 0.392
99 HD2 LYS 13 2HD LYS 13 0.645 -1.598 -0.424
100 HD3 LYS 13 1HD LYS 13 0.174 -0.334 0.741
101 HE2 LYS 13 2HE LYS 13 0.913 -3.270 1.456
102 HE3 LYS 13 1HE LYS 13 1.982 -1.827 1.688
103 HZ1 LYS 13 3HZ LYS 13 -0.654 -2.284 2.986
104 HZ2 LYS 13 1HZ LYS 13 0.350 -0.931 3.205
105 HZ3 LYS 13 2HZ LYS 13 0.874 -2.468 3.704
106 H VAL 14 H VAL 14 -1.113 -4.448 -1.716
107 HA VAL 14 HA VAL 14 1.621 -4.087 -1.801
108 HB VAL 14 HB VAL 14 0.392 -5.947 -0.795
109 HG11 VAL 14 1HG1 VAL 14 -0.125 -7.149 -3.562
110 HG12 VAL 14 2HG1 VAL 14 -1.355 -6.323 -2.532
111 HG13 VAL 14 3HG1 VAL 14 -0.566 -7.836 -1.965
112 HG21 VAL 14 3HG2 VAL 14 2.325 -6.951 -2.985
113 HG22 VAL 14 1HG2 VAL 14 2.014 -7.778 -1.410
114 HG23 VAL 14 2HG2 VAL 14 2.867 -6.179 -1.439
115 H PHE 15 H PHE 15 -0.688 -4.729 -4.064
116 HA PHE 15 HA PHE 15 0.966 -5.478 -6.321
117 HB2 PHE 15 2HB PHE 15 -2.022 -4.703 -6.271
118 HB3 PHE 15 1HB PHE 15 -1.150 -5.289 -7.742
119 HD1 PHE 15 2HD PHE 15 0.419 -7.488 -7.142
120 HD2 PHE 15 1HD PHE 15 -3.293 -6.392 -5.276
121 HE1 PHE 15 2HE PHE 15 0.043 -9.844 -6.517
122 HE2 PHE 15 1HE PHE 15 -3.688 -8.763 -4.686
123 HZ PHE 15 HZ PHE 15 -2.015 -10.490 -5.290
124 H ASN 16 H ASN 16 -0.351 -2.439 -5.105
125 HA ASN 16 HA ASN 16 0.290 -0.983 -7.488
126 HB2 ASN 16 2HB ASN 16 -1.599 -0.336 -5.905
127 HB3 ASN 16 1HB ASN 16 -0.374 0.029 -4.646
128 HD21 ASN 16 1HD2 ASN 16 -1.051 0.772 -8.155
129 HD22 ASN 16 2HD2 ASN 16 -0.644 2.474 -8.061
130 H HIS 17 H HIS 17 1.669 -1.492 -4.169
131 HA HIS 17 HA HIS 17 3.603 0.251 -4.236
132 HB2 HIS 17 2HB HIS 17 2.695 -0.980 -2.243
133 HB3 HIS 17 1HB HIS 17 3.568 -2.452 -2.783
134 HD1 HIS 17 1HD HIS 17 5.065 -2.394 -0.572
135 HD2 HIS 17 2HD HIS 17 5.335 1.095 -2.875
136 HE1 HIS 17 1HE HIS 17 6.994 -0.993 0.349
137 H GLY 18 H GLY 18 3.739 -3.194 -5.047
138 HA2 GLY 18 2HA GLY 18 6.566 -3.150 -5.563
139 HA3 GLY 18 1HA GLY 18 5.407 -4.529 -5.640
140 H GLU 19 H GLU 19 3.531 -3.224 -7.427
141 HA GLU 19 HA GLU 19 3.010 -3.227 -9.509
142 HB2 GLU 19 2HB GLU 19 5.842 -2.259 -10.106
143 HB3 GLU 19 1HB GLU 19 4.601 -2.502 -11.370
144 HG2 GLU 19 2HG GLU 19 4.253 -0.613 -8.949
145 HG3 GLU 19 1HG GLU 19 4.834 -0.103 -10.576
146 H HIS 20 H HIS 20 2.560 -5.403 -9.295
147 HA HIS 20 HA HIS 20 4.606 -7.336 -9.968
148 HB2 HIS 20 2HB HIS 20 1.666 -7.627 -9.111
149 HB3 HIS 20 1HB HIS 20 2.778 -9.000 -9.439
150 HD1 HIS 20 1HD HIS 20 2.946 -5.877 -7.120
151 HD2 HIS 20 2HD HIS 20 3.819 -9.981 -7.119
152 HE1 HIS 20 1HE HIS 20 3.828 -6.504 -4.806
153 H ILE 21 H ILE 21 4.857 -8.142 -12.048
154 HA ILE 21 HA ILE 21 3.180 -7.098 -14.056
155 HB ILE 21 HB ILE 21 5.713 -8.815 -14.093
156 HG12 ILE 21 2HG1 ILE 21 6.216 -6.771 -12.865
157 HG13 ILE 21 1HG1 ILE 21 6.953 -6.747 -14.495
158 HG21 ILE 21 1HG2 ILE 21 5.907 -7.896 -16.418
159 HG22 ILE 21 2HG2 ILE 21 4.289 -7.101 -16.223
160 HG23 ILE 21 3HG2 ILE 21 4.427 -8.900 -16.191
161 HD11 ILE 21 3HD1 ILE 21 5.142 -5.181 -15.298
162 HD12 ILE 21 1HD1 ILE 21 6.065 -4.514 -13.905
163 HD13 ILE 21 2HD1 ILE 21 4.420 -5.185 -13.644
164 H HIS 22 H HIS 22 4.663 -10.313 -13.937
165 HA HIS 22 HA HIS 22 2.159 -11.539 -14.781
166 HB2 HIS 22 2HB HIS 22 4.967 -12.773 -14.439
167 HB3 HIS 22 1HB HIS 22 3.511 -13.611 -15.082
168 HD1 HIS 22 1HD HIS 22 6.118 -11.020 -16.061
169 HD2 HIS 22 2HD HIS 22 2.817 -12.978 -17.754
170 HE1 HIS 22 1HE HIS 22 6.131 -10.569 -18.575
171 H HIS 23 H HIS 23 4.755 -11.991 -12.425
172 HA HIS 23 HA HIS 23 2.974 -13.482 -10.637
173 HB2 HIS 23 2HB HIS 23 6.016 -13.066 -10.539
174 HB3 HIS 23 1HB HIS 23 5.057 -14.099 -9.416
175 HD1 HIS 23 1HD HIS 23 3.560 -16.041 -10.909
176 HD2 HIS 23 2HD HIS 23 7.024 -14.465 -12.675
177 HE1 HIS 23 1HE HIS 23 4.284 -17.619 -12.783
Start of MODEL 11
1 H1 PHE 1 1HT PHE 1 -8.117 -0.036 -5.424
2 H2 PHE 1 2HT PHE 1 -9.427 1.024 -5.642
3 H3 PHE 1 3HT PHE 1 -9.575 -0.610 -6.082
4 HA PHE 1 HA PHE 1 -9.372 -1.298 -3.840
5 HB2 PHE 1 2HB PHE 1 -9.267 1.729 -3.154
6 HB3 PHE 1 1HB PHE 1 -9.462 0.404 -1.946
7 HD1 PHE 1 1HD PHE 1 -7.545 -1.077 -1.410
8 HD2 PHE 1 2HD PHE 1 -7.141 2.098 -4.282
9 HE1 PHE 1 1HE PHE 1 -5.092 -1.295 -1.311
10 HE2 PHE 1 2HE PHE 1 -4.680 1.871 -4.180
11 HZ PHE 1 HZ PHE 1 -3.651 0.174 -2.694
12 H GLU 2 H GLU 2 -11.036 1.791 -3.623
13 HA GLU 2 HA GLU 2 -12.944 2.583 -4.190
14 HB2 GLU 2 2HB GLU 2 -13.947 -0.169 -5.059
15 HB3 GLU 2 1HB GLU 2 -14.868 1.370 -5.156
16 HG2 GLU 2 2HG GLU 2 -13.167 2.321 -6.727
17 HG3 GLU 2 1HG GLU 2 -12.209 0.796 -6.626
18 H ASP 3 H ASP 3 -13.481 -0.667 -2.816
19 HA ASP 3 HA ASP 3 -14.186 0.297 -0.304
20 HB2 ASP 3 2HB ASP 3 -16.566 -0.491 -0.156
21 HB3 ASP 3 1HB ASP 3 -16.359 1.020 -1.102
22 H LEU 4 H LEU 4 -13.009 -1.160 0.642
23 HA LEU 4 HA LEU 4 -13.759 -3.927 0.431
24 HB2 LEU 4 2HB LEU 4 -11.165 -4.537 0.300
25 HB3 LEU 4 1HB LEU 4 -12.151 -4.270 -1.163
26 HG LEU 4 HG LEU 4 -11.363 -1.972 -1.358
27 HD11 LEU 4 1HD1 LEU 4 -9.295 -1.205 -0.104
28 HD12 LEU 4 2HD1 LEU 4 -9.480 -2.615 1.005
29 HD13 LEU 4 3HD1 LEU 4 -10.742 -1.332 0.943
30 HD21 LEU 4 3HD2 LEU 4 -10.280 -3.779 -2.619
31 HD22 LEU 4 1HD2 LEU 4 -9.177 -4.137 -1.240
32 HD23 LEU 4 2HD2 LEU 4 -9.028 -2.580 -2.129
33 HA PRO 5 HA PRO 5 -13.135 -3.633 4.635
34 HB2 PRO 5 2HB PRO 5 -11.597 -6.270 4.659
35 HB3 PRO 5 1HB PRO 5 -13.092 -5.818 5.581
36 HG2 PRO 5 2HG PRO 5 -13.354 -7.405 3.397
37 HG3 PRO 5 1HG PRO 5 -14.433 -5.935 3.487
38 HD2 PRO 5 2HD PRO 5 -11.728 -6.097 2.077
39 HD3 PRO 5 1HD PRO 5 -13.363 -5.682 1.374
40 H ASN 6 H ASN 6 -11.565 -4.306 6.521
41 HA ASN 6 HA ASN 6 -9.587 -2.350 6.558
42 HB2 ASN 6 2HB ASN 6 -9.941 -4.744 8.478
43 HB3 ASN 6 1HB ASN 6 -8.952 -3.275 8.814
44 HD21 ASN 6 1HD2 ASN 6 -12.004 -4.672 9.272
45 HD22 ASN 6 2HD2 ASN 6 -12.925 -3.225 9.627
46 H PHE 7 H PHE 7 -9.302 -5.943 6.398
47 HA PHE 7 HA PHE 7 -6.430 -5.821 6.086
48 HB2 PHE 7 2HB PHE 7 -8.406 -8.192 5.911
49 HB3 PHE 7 1HB PHE 7 -6.601 -8.323 5.939
50 HD1 PHE 7 1HD PHE 7 -5.378 -7.227 7.953
51 HD2 PHE 7 2HD PHE 7 -9.577 -8.152 7.962
52 HE1 PHE 7 1HE PHE 7 -5.390 -7.156 10.425
53 HE2 PHE 7 2HE PHE 7 -9.585 -8.081 10.436
54 HZ PHE 7 HZ PHE 7 -7.493 -7.581 11.671
55 H GLY 8 H GLY 8 -9.180 -5.459 4.102
56 HA2 GLY 8 2HA GLY 8 -8.294 -6.714 1.744
57 HA3 GLY 8 1HA GLY 8 -9.570 -5.463 1.968
58 H HIS 9 H HIS 9 -7.527 -3.629 3.312
59 HA HIS 9 HA HIS 9 -6.781 -2.248 0.976
60 HB2 HIS 9 2HB HIS 9 -5.878 -1.816 3.886
61 HB3 HIS 9 1HB HIS 9 -5.610 -0.668 2.527
62 HD1 HIS 9 1HD HIS 9 -8.099 -1.489 5.130
63 HD2 HIS 9 2HD HIS 9 -8.115 0.410 1.394
64 HE1 HIS 9 1HE HIS 9 -10.244 -0.116 4.952
65 H ILE 10 H ILE 10 -5.076 -4.305 3.296
66 HA ILE 10 HA ILE 10 -2.502 -3.533 2.424
67 HB ILE 10 HB ILE 10 -3.427 -5.815 4.249
68 HG12 ILE 10 2HG1 ILE 10 -2.102 -4.063 5.859
69 HG13 ILE 10 1HG1 ILE 10 -2.699 -2.890 4.637
70 HG21 ILE 10 1HG2 ILE 10 -1.191 -6.408 3.334
71 HG22 ILE 10 2HG2 ILE 10 -1.009 -5.840 5.022
72 HG23 ILE 10 3HG2 ILE 10 -0.581 -4.739 3.661
73 HD11 ILE 10 3HD1 ILE 10 -4.402 -4.867 6.312
74 HD12 ILE 10 1HD1 ILE 10 -5.067 -3.716 5.095
75 HD13 ILE 10 2HD1 ILE 10 -4.263 -3.091 6.579
76 H GLN 11 H GLN 11 -4.664 -6.226 1.688
77 HA GLN 11 HA GLN 11 -2.615 -7.704 0.327
78 HB2 GLN 11 2HB GLN 11 -4.342 -9.339 -0.211
79 HB3 GLN 11 1HB GLN 11 -4.395 -8.874 1.520
80 HG2 GLN 11 2HG GLN 11 -6.316 -7.280 0.987
81 HG3 GLN 11 1HG GLN 11 -6.311 -7.896 -0.705
82 HE21 GLN 11 1HE2 GLN 11 -6.610 -8.937 2.750
83 HE22 GLN 11 2HE2 GLN 11 -7.629 -10.327 2.437
84 H VAL 12 H VAL 12 -4.298 -4.924 -0.590
85 HA VAL 12 HA VAL 12 -4.257 -5.654 -3.437
86 HB VAL 12 HB VAL 12 -5.940 -3.626 -1.906
87 HG11 VAL 12 1HG1 VAL 12 -5.697 -4.094 -4.960
88 HG12 VAL 12 2HG1 VAL 12 -5.289 -2.574 -4.072
89 HG13 VAL 12 3HG1 VAL 12 -6.993 -3.132 -4.155
90 HG21 VAL 12 3HG2 VAL 12 -6.571 -6.171 -3.563
91 HG22 VAL 12 1HG2 VAL 12 -7.805 -5.062 -2.865
92 HG23 VAL 12 2HG2 VAL 12 -6.726 -6.001 -1.777
93 H LYS 13 H LYS 13 -2.958 -3.608 -0.884
94 HA LYS 13 HA LYS 13 -2.001 -1.632 -2.711
95 HB2 LYS 13 2HB LYS 13 -1.110 -0.458 -0.859
96 HB3 LYS 13 1HB LYS 13 -2.708 -1.143 -0.334
97 HG2 LYS 13 2HG LYS 13 -1.520 -1.632 1.538
98 HG3 LYS 13 1HG LYS 13 -1.103 -3.101 0.587
99 HD2 LYS 13 2HD LYS 13 0.926 -1.799 -0.273
100 HD3 LYS 13 1HD LYS 13 0.550 -0.522 0.915
101 HE2 LYS 13 2HE LYS 13 1.193 -3.490 1.593
102 HE3 LYS 13 1HE LYS 13 2.330 -2.092 1.787
103 HZ1 LYS 13 3HZ LYS 13 0.797 -1.136 3.365
104 HZ2 LYS 13 1HZ LYS 13 1.269 -2.696 3.842
105 HZ3 LYS 13 2HZ LYS 13 -0.274 -2.441 3.180
106 H VAL 14 H VAL 14 -0.809 -4.474 -1.559
107 HA VAL 14 HA VAL 14 1.897 -4.030 -2.017
108 HB VAL 14 HB VAL 14 0.898 -5.894 -0.796
109 HG11 VAL 14 1HG1 VAL 14 -0.183 -7.835 -1.749
110 HG12 VAL 14 2HG1 VAL 14 -0.035 -7.174 -3.409
111 HG13 VAL 14 3HG1 VAL 14 -1.101 -6.358 -2.200
112 HG21 VAL 14 3HG2 VAL 14 2.491 -6.903 -3.244
113 HG22 VAL 14 1HG2 VAL 14 2.443 -7.710 -1.631
114 HG23 VAL 14 2HG2 VAL 14 3.241 -6.094 -1.810
115 H PHE 15 H PHE 15 -0.711 -4.811 -3.896
116 HA PHE 15 HA PHE 15 0.700 -5.423 -6.397
117 HB2 PHE 15 2HB PHE 15 -2.332 -5.157 -5.888
118 HB3 PHE 15 1HB PHE 15 -1.613 -5.542 -7.496
119 HD1 PHE 15 1HD PHE 15 0.207 -7.509 -7.442
120 HD2 PHE 15 2HD PHE 15 -3.022 -7.017 -4.653
121 HE1 PHE 15 1HE PHE 15 0.313 -9.915 -6.895
122 HE2 PHE 15 2HE PHE 15 -2.923 -9.430 -4.114
123 HZ PHE 15 HZ PHE 15 -1.250 -10.882 -5.228
124 H ASN 16 H ASN 16 -0.787 -2.634 -4.865
125 HA ASN 16 HA ASN 16 -0.908 -1.036 -7.210
126 HB2 ASN 16 2HB ASN 16 -2.257 -0.616 -5.068
127 HB3 ASN 16 1HB ASN 16 -0.728 -0.154 -4.251
128 HD21 ASN 16 1HD2 ASN 16 -2.674 0.594 -7.237
129 HD22 ASN 16 2HD2 ASN 16 -2.361 2.318 -7.229
130 H HIS 17 H HIS 17 1.449 -1.530 -4.465
131 HA HIS 17 HA HIS 17 3.320 0.111 -5.484
132 HB2 HIS 17 2HB HIS 17 3.538 -2.078 -3.368
133 HB3 HIS 17 1HB HIS 17 4.761 -0.781 -3.641
134 HD1 HIS 17 1HD HIS 17 3.695 -0.892 -0.885
135 HD2 HIS 17 2HD HIS 17 1.748 1.348 -3.853
136 HE1 HIS 17 1HE HIS 17 2.291 0.908 0.261
137 H GLY 18 H GLY 18 5.736 -1.321 -5.233
138 HA2 GLY 18 2HA GLY 18 5.538 -3.623 -7.055
139 HA3 GLY 18 1HA GLY 18 6.774 -2.303 -7.212
140 H GLU 19 H GLU 19 5.271 -3.950 -4.385
141 HA GLU 19 HA GLU 19 7.959 -4.574 -3.373
142 HB2 GLU 19 2HB GLU 19 5.277 -4.255 -1.905
143 HB3 GLU 19 1HB GLU 19 6.821 -4.765 -1.132
144 HG2 GLU 19 2HG GLU 19 6.269 -2.040 -2.486
145 HG3 GLU 19 1HG GLU 19 6.339 -2.357 -0.715
146 H HIS 20 H HIS 20 7.799 -6.275 -5.084
147 HA HIS 20 HA HIS 20 6.404 -8.648 -4.042
148 HB2 HIS 20 2HB HIS 20 7.025 -7.921 -6.980
149 HB3 HIS 20 1HB HIS 20 6.330 -9.481 -6.395
150 HD1 HIS 20 1HD HIS 20 5.417 -5.799 -6.869
151 HD2 HIS 20 2HD HIS 20 3.586 -9.389 -5.697
152 HE1 HIS 20 1HE HIS 20 2.894 -5.408 -6.758
153 H ILE 21 H ILE 21 8.601 -9.011 -6.735
154 HA ILE 21 HA ILE 21 10.718 -9.880 -5.002
155 HB ILE 21 HB ILE 21 11.811 -10.489 -7.169
156 HG12 ILE 21 2HG1 ILE 21 10.137 -10.876 -9.089
157 HG13 ILE 21 1HG1 ILE 21 9.116 -9.594 -8.367
158 HG21 ILE 21 1HG2 ILE 21 10.410 -12.515 -7.395
159 HG22 ILE 21 2HG2 ILE 21 9.053 -11.703 -6.530
160 HG23 ILE 21 3HG2 ILE 21 10.600 -12.046 -5.666
161 HD11 ILE 21 3HD1 ILE 21 12.065 -9.252 -9.273
162 HD12 ILE 21 1HD1 ILE 21 10.959 -7.929 -8.745
163 HD13 ILE 21 2HD1 ILE 21 10.625 -8.821 -10.266
164 H HIS 22 H HIS 22 12.953 -9.098 -5.597
165 HA HIS 22 HA HIS 22 12.993 -6.338 -6.552
166 HB2 HIS 22 2HB HIS 22 14.170 -7.277 -3.863
167 HB3 HIS 22 1HB HIS 22 14.440 -5.654 -4.602
168 HD1 HIS 22 1HD HIS 22 12.058 -4.238 -4.990
169 HD2 HIS 22 2HD HIS 22 11.889 -7.437 -2.281
170 HE1 HIS 22 1HE HIS 22 9.941 -3.978 -3.584
171 H HIS 23 H HIS 23 13.625 -8.960 -7.651
172 HA HIS 23 HA HIS 23 15.109 -9.955 -8.833
173 HB2 HIS 23 2HB HIS 23 16.638 -7.305 -8.834
174 HB3 HIS 23 1HB HIS 23 16.952 -8.699 -9.923
175 HD1 HIS 23 1HD HIS 23 14.055 -6.247 -9.173
176 HD2 HIS 23 2HD HIS 23 15.459 -8.767 -12.220
177 HE1 HIS 23 1HE HIS 23 12.609 -5.870 -11.247
Start of MODEL 12
1 H1 PHE 1 1HT PHE 1 -14.095 -2.776 -7.584
2 H2 PHE 1 2HT PHE 1 -12.544 -3.343 -7.178
3 H3 PHE 1 3HT PHE 1 -13.120 -1.889 -6.512
4 HA PHE 1 HA PHE 1 -14.247 -4.570 -6.052
5 HB2 PHE 1 2HB PHE 1 -12.584 -2.736 -4.183
6 HB3 PHE 1 1HB PHE 1 -13.402 -4.245 -3.638
7 HD1 PHE 1 2HD PHE 1 -12.872 -6.418 -5.015
8 HD2 PHE 1 1HD PHE 1 -10.346 -2.940 -4.890
9 HE1 PHE 1 2HE PHE 1 -10.925 -7.807 -5.646
10 HE2 PHE 1 1HE PHE 1 -8.404 -4.332 -5.529
11 HZ PHE 1 HZ PHE 1 -8.687 -6.767 -5.901
12 H GLU 2 H GLU 2 -15.554 -4.445 -3.841
13 HA GLU 2 HA GLU 2 -17.615 -2.450 -4.275
14 HB2 GLU 2 2HB GLU 2 -17.507 -4.944 -2.466
15 HB3 GLU 2 1HB GLU 2 -18.870 -3.773 -2.533
16 HG2 GLU 2 2HG GLU 2 -19.523 -5.635 -3.868
17 HG3 GLU 2 1HG GLU 2 -19.154 -4.281 -4.998
18 H ASP 3 H ASP 3 -16.504 -3.912 -1.177
19 HA ASP 3 HA ASP 3 -15.172 -1.609 -0.316
20 HB2 ASP 3 2HB ASP 3 -16.554 -1.165 1.738
21 HB3 ASP 3 1HB ASP 3 -17.301 -0.576 0.215
22 H LEU 4 H LEU 4 -13.513 -2.723 0.286
23 HA LEU 4 HA LEU 4 -13.841 -5.310 1.600
24 HB2 LEU 4 2HB LEU 4 -11.294 -3.843 0.639
25 HB3 LEU 4 1HB LEU 4 -11.356 -5.534 1.235
26 HG LEU 4 HG LEU 4 -12.641 -4.445 -1.338
27 HD11 LEU 4 1HD1 LEU 4 -10.161 -4.597 -1.434
28 HD12 LEU 4 2HD1 LEU 4 -10.926 -5.840 -2.494
29 HD13 LEU 4 3HD1 LEU 4 -10.232 -6.321 -0.905
30 HD21 LEU 4 3HD2 LEU 4 -13.133 -6.836 -1.906
31 HD22 LEU 4 1HD2 LEU 4 -14.058 -6.288 -0.465
32 HD23 LEU 4 2HD2 LEU 4 -12.603 -7.337 -0.256
33 HA PRO 5 HA PRO 5 -12.756 -3.546 5.477
34 HB2 PRO 5 2HB PRO 5 -11.023 -5.994 5.997
35 HB3 PRO 5 1HB PRO 5 -12.436 -5.381 6.953
36 HG2 PRO 5 2HG PRO 5 -12.767 -7.582 5.382
37 HG3 PRO 5 1HG PRO 5 -14.003 -6.246 5.228
38 HD2 PRO 5 2HD PRO 5 -11.512 -6.566 3.501
39 HD3 PRO 5 1HD PRO 5 -13.268 -6.565 2.993
40 H ASN 6 H ASN 6 -10.757 -3.467 7.048
41 HA ASN 6 HA ASN 6 -8.873 -1.764 5.841
42 HB2 ASN 6 2HB ASN 6 -8.755 -3.129 8.609
43 HB3 ASN 6 1HB ASN 6 -7.733 -1.737 8.088
44 HD21 ASN 6 1HD2 ASN 6 -10.559 -2.549 9.749
45 HD22 ASN 6 2HD2 ASN 6 -11.410 -1.022 9.636
46 H PHE 7 H PHE 7 -8.748 -5.173 6.897
47 HA PHE 7 HA PHE 7 -5.959 -5.465 6.261
48 HB2 PHE 7 2HB PHE 7 -8.109 -7.553 7.023
49 HB3 PHE 7 1HB PHE 7 -6.328 -7.863 6.925
50 HD1 PHE 7 1HD PHE 7 -4.791 -6.382 8.387
51 HD2 PHE 7 2HD PHE 7 -9.026 -6.729 9.042
52 HE1 PHE 7 1HE PHE 7 -4.501 -5.566 10.704
53 HE2 PHE 7 2HE PHE 7 -8.733 -5.913 11.359
54 HZ PHE 7 HZ PHE 7 -6.471 -5.328 12.193
55 H GLY 8 H GLY 8 -8.972 -5.558 4.551
56 HA2 GLY 8 2HA GLY 8 -8.011 -7.385 2.507
57 HA3 GLY 8 1HA GLY 8 -9.598 -6.549 2.647
58 H HIS 9 H HIS 9 -7.498 -4.121 3.299
59 HA HIS 9 HA HIS 9 -7.364 -3.243 0.513
60 HB2 HIS 9 2HB HIS 9 -6.749 -1.743 3.128
61 HB3 HIS 9 1HB HIS 9 -6.664 -1.044 1.472
62 HD1 HIS 9 1HD HIS 9 -9.392 -2.127 0.334
63 HD2 HIS 9 2HD HIS 9 -8.912 -0.292 4.077
64 HE1 HIS 9 1HE HIS 9 -11.639 -1.125 1.024
65 H ILE 10 H ILE 10 -5.513 -4.877 2.885
66 HA ILE 10 HA ILE 10 -2.966 -3.794 2.235
67 HB ILE 10 HB ILE 10 -3.780 -6.383 3.662
68 HG12 ILE 10 2HG1 ILE 10 -4.695 -4.453 4.835
69 HG13 ILE 10 1HG1 ILE 10 -3.376 -5.230 5.768
70 HG21 ILE 10 1HG2 ILE 10 -1.473 -6.595 2.860
71 HG22 ILE 10 2HG2 ILE 10 -1.437 -6.286 4.630
72 HG23 ILE 10 3HG2 ILE 10 -1.045 -4.952 3.479
73 HD11 ILE 10 3HD1 ILE 10 -1.812 -3.374 5.101
74 HD12 ILE 10 1HD1 ILE 10 -3.284 -2.767 5.947
75 HD13 ILE 10 2HD1 ILE 10 -3.145 -2.595 4.161
76 H GLN 11 H GLN 11 -4.993 -6.504 1.225
77 HA GLN 11 HA GLN 11 -2.883 -7.658 -0.341
78 HB2 GLN 11 2HB GLN 11 -4.450 -9.402 -0.985
79 HB3 GLN 11 1HB GLN 11 -4.419 -9.128 0.774
80 HG2 GLN 11 2HG GLN 11 -6.688 -9.450 0.383
81 HG3 GLN 11 1HG GLN 11 -6.548 -7.663 0.500
82 HE21 GLN 11 1HE2 GLN 11 -6.104 -10.205 -2.096
83 HE22 GLN 11 2HE2 GLN 11 -7.124 -9.421 -3.286
84 H VAL 12 H VAL 12 -4.699 -4.905 -0.817
85 HA VAL 12 HA VAL 12 -4.771 -5.218 -3.724
86 HB VAL 12 HB VAL 12 -5.742 -2.865 -2.024
87 HG11 VAL 12 1HG1 VAL 12 -6.907 -2.262 -4.216
88 HG12 VAL 12 2HG1 VAL 12 -6.008 -3.602 -5.026
89 HG13 VAL 12 3HG1 VAL 12 -5.116 -2.193 -4.349
90 HG21 VAL 12 3HG2 VAL 12 -7.107 -4.873 -1.541
91 HG22 VAL 12 1HG2 VAL 12 -7.288 -5.214 -3.303
92 HG23 VAL 12 2HG2 VAL 12 -8.036 -3.742 -2.579
93 H LYS 13 H LYS 13 -3.307 -3.483 -1.007
94 HA LYS 13 HA LYS 13 -2.017 -1.580 -2.674
95 HB2 LYS 13 2HB LYS 13 -1.244 -0.529 -0.728
96 HB3 LYS 13 1HB LYS 13 -2.885 -1.203 -0.314
97 HG2 LYS 13 2HG LYS 13 -1.813 -1.802 1.595
98 HG3 LYS 13 1HG LYS 13 -1.332 -3.220 0.603
99 HD2 LYS 13 2HD LYS 13 0.742 -1.884 -0.071
100 HD3 LYS 13 1HD LYS 13 0.290 -0.657 1.141
101 HE2 LYS 13 2HE LYS 13 0.889 -3.651 1.740
102 HE3 LYS 13 1HE LYS 13 2.016 -2.268 2.053
103 HZ1 LYS 13 3HZ LYS 13 0.399 -1.361 3.575
104 HZ2 LYS 13 1HZ LYS 13 0.837 -2.942 4.018
105 HZ3 LYS 13 2HZ LYS 13 -0.665 -2.652 3.279
106 H VAL 14 H VAL 14 -1.179 -4.562 -1.656
107 HA VAL 14 HA VAL 14 1.581 -4.354 -1.701
108 HB VAL 14 HB VAL 14 0.246 -6.213 -0.826
109 HG11 VAL 14 1HG1 VAL 14 -1.524 -6.353 -2.577
110 HG12 VAL 14 2HG1 VAL 14 -0.827 -7.948 -2.125
111 HG13 VAL 14 3HG1 VAL 14 -0.346 -7.175 -3.670
112 HG21 VAL 14 3HG2 VAL 14 1.750 -8.088 -1.588
113 HG22 VAL 14 1HG2 VAL 14 2.699 -6.546 -1.495
114 HG23 VAL 14 2HG2 VAL 14 2.114 -7.160 -3.095
115 H PHE 15 H PHE 15 -0.774 -4.707 -3.992
116 HA PHE 15 HA PHE 15 0.873 -5.282 -6.328
117 HB2 PHE 15 2HB PHE 15 -2.123 -4.525 -6.204
118 HB3 PHE 15 1HB PHE 15 -1.247 -4.981 -7.714
119 HD1 PHE 15 1HD PHE 15 0.303 -7.229 -7.338
120 HD2 PHE 15 2HD PHE 15 -3.374 -6.281 -5.319
121 HE1 PHE 15 1HE PHE 15 -0.098 -9.632 -6.940
122 HE2 PHE 15 2HE PHE 15 -3.790 -8.699 -4.962
123 HZ PHE 15 HZ PHE 15 -2.146 -10.373 -5.753
124 H ASN 16 H ASN 16 -0.521 -2.404 -4.817
125 HA ASN 16 HA ASN 16 -0.008 -0.671 -7.006
126 HB2 ASN 16 2HB ASN 16 -1.720 -0.239 -5.171
127 HB3 ASN 16 1HB ASN 16 -0.374 -0.021 -4.006
128 HD21 ASN 16 1HD2 ASN 16 0.331 2.075 -3.753
129 HD22 ASN 16 2HD2 ASN 16 0.078 3.392 -4.882
130 H HIS 17 H HIS 17 1.738 -1.671 -3.963
131 HA HIS 17 HA HIS 17 3.796 0.001 -4.207
132 HB2 HIS 17 2HB HIS 17 3.063 -0.903 -2.071
133 HB3 HIS 17 1HB HIS 17 3.251 -2.578 -2.684
134 HD1 HIS 17 1HD HIS 17 5.600 0.396 -1.811
135 HD2 HIS 17 2HD HIS 17 5.519 -3.776 -2.119
136 HE1 HIS 17 1HE HIS 17 7.843 -0.488 -0.955
137 H GLY 18 H GLY 18 6.136 -0.743 -4.497
138 HA2 GLY 18 2HA GLY 18 6.540 -3.186 -5.984
139 HA3 GLY 18 1HA GLY 18 6.882 -1.602 -6.815
140 H GLU 19 H GLU 19 8.426 -0.154 -5.876
141 HA GLU 19 HA GLU 19 10.270 0.397 -5.158
142 HB2 GLU 19 2HB GLU 19 8.722 0.155 -3.025
143 HB3 GLU 19 1HB GLU 19 10.010 -0.950 -2.468
144 HG2 GLU 19 2HG GLU 19 10.344 1.930 -3.539
145 HG3 GLU 19 1HG GLU 19 10.260 1.515 -1.779
146 H HIS 20 H HIS 20 11.883 -0.360 -6.376
147 HA HIS 20 HA HIS 20 13.010 -2.988 -5.777
148 HB2 HIS 20 2HB HIS 20 13.510 -1.038 -8.101
149 HB3 HIS 20 1HB HIS 20 14.269 -2.666 -7.911
150 HD1 HIS 20 1HD HIS 20 12.208 -4.656 -7.635
151 HD2 HIS 20 2HD HIS 20 11.237 -1.078 -9.599
152 HE1 HIS 20 1HE HIS 20 10.091 -5.053 -9.010
153 H ILE 21 H ILE 21 15.127 -0.577 -7.174
154 HA ILE 21 HA ILE 21 16.699 -0.513 -4.768
155 HB ILE 21 HB ILE 21 18.262 0.802 -6.261
156 HG12 ILE 21 2HG1 ILE 21 16.329 -0.096 -8.496
157 HG13 ILE 21 1HG1 ILE 21 16.498 1.591 -7.898
158 HG21 ILE 21 1HG2 ILE 21 17.452 -2.041 -7.145
159 HG22 ILE 21 2HG2 ILE 21 18.464 -1.620 -5.711
160 HG23 ILE 21 3HG2 ILE 21 19.064 -1.261 -7.367
161 HD11 ILE 21 3HD1 ILE 21 17.799 1.303 -9.966
162 HD12 ILE 21 1HD1 ILE 21 18.715 -0.075 -9.256
163 HD13 ILE 21 2HD1 ILE 21 18.920 1.588 -8.584
164 H HIS 22 H HIS 22 17.487 1.503 -3.911
165 HA HIS 22 HA HIS 22 15.519 3.651 -4.015
166 HB2 HIS 22 2HB HIS 22 16.214 2.792 -1.773
167 HB3 HIS 22 1HB HIS 22 17.923 3.170 -2.144
168 HD1 HIS 22 1HD HIS 22 18.399 5.903 -2.414
169 HD2 HIS 22 2HD HIS 22 14.704 4.847 -0.728
170 HE1 HIS 22 1HE HIS 22 17.438 7.965 -1.249
171 H HIS 23 H HIS 23 19.020 3.077 -4.045
172 HA HIS 23 HA HIS 23 19.475 5.507 -5.609
173 HB2 HIS 23 2HB HIS 23 20.874 5.101 -3.565
174 HB3 HIS 23 1HB HIS 23 21.488 3.584 -4.295
175 HD1 HIS 23 1HD HIS 23 22.928 4.055 -6.666
176 HD2 HIS 23 2HD HIS 23 22.251 7.384 -4.203
177 HE1 HIS 23 1HE HIS 23 24.566 5.896 -7.348
Start of MODEL 13
1 H1 PHE 1 1HT PHE 1 -16.783 3.085 5.213
2 H2 PHE 1 2HT PHE 1 -18.063 3.284 6.313
3 H3 PHE 1 3HT PHE 1 -17.316 4.646 5.625
4 HA PHE 1 HA PHE 1 -19.450 4.207 4.621
5 HB2 PHE 1 2HB PHE 1 -17.015 3.602 2.801
6 HB3 PHE 1 1HB PHE 1 -18.683 3.970 2.183
7 HD1 PHE 1 2HD PHE 1 -19.751 6.194 2.787
8 HD2 PHE 1 1HD PHE 1 -15.567 5.415 3.390
9 HE1 PHE 1 2HE PHE 1 -19.313 8.626 2.902
10 HE2 PHE 1 1HE PHE 1 -15.131 7.846 3.502
11 HZ PHE 1 HZ PHE 1 -17.002 9.457 3.259
12 H GLU 2 H GLU 2 -20.845 2.555 4.869
13 HA GLU 2 HA GLU 2 -21.743 0.647 5.041
14 HB2 GLU 2 2HB GLU 2 -20.924 0.807 2.457
15 HB3 GLU 2 1HB GLU 2 -20.140 -0.740 2.917
16 HG2 GLU 2 2HG GLU 2 -22.438 -1.548 3.745
17 HG3 GLU 2 1HG GLU 2 -23.107 0.064 3.276
18 H ASP 3 H ASP 3 -18.878 1.074 6.090
19 HA ASP 3 HA ASP 3 -17.399 0.242 7.381
20 HB2 ASP 3 2HB ASP 3 -18.765 -2.491 7.441
21 HB3 ASP 3 1HB ASP 3 -17.339 -1.957 8.417
22 H LEU 4 H LEU 4 -15.747 0.499 6.098
23 HA LEU 4 HA LEU 4 -15.214 -1.283 3.911
24 HB2 LEU 4 2HB LEU 4 -13.545 0.995 5.158
25 HB3 LEU 4 1HB LEU 4 -13.092 0.127 3.653
26 HG LEU 4 HG LEU 4 -15.626 1.823 4.023
27 HD11 LEU 4 1HD1 LEU 4 -12.991 2.474 2.560
28 HD12 LEU 4 2HD1 LEU 4 -13.577 3.216 4.096
29 HD13 LEU 4 3HD1 LEU 4 -14.484 3.488 2.561
30 HD21 LEU 4 3HD2 LEU 4 -14.439 0.513 1.488
31 HD22 LEU 4 1HD2 LEU 4 -15.828 1.663 1.528
32 HD23 LEU 4 2HD2 LEU 4 -15.978 0.050 2.309
33 HA PRO 5 HA PRO 5 -12.811 -4.041 6.228
34 HB2 PRO 5 2HB PRO 5 -10.852 -4.270 3.909
35 HB3 PRO 5 1HB PRO 5 -11.879 -5.565 4.652
36 HG2 PRO 5 2HG PRO 5 -12.548 -4.539 2.217
37 HG3 PRO 5 1HG PRO 5 -13.862 -4.699 3.471
38 HD2 PRO 5 2HD PRO 5 -12.145 -2.215 2.958
39 HD3 PRO 5 1HD PRO 5 -13.962 -2.373 2.844
40 H ASN 6 H ASN 6 -10.427 -4.803 6.596
41 HA ASN 6 HA ASN 6 -8.781 -2.440 7.277
42 HB2 ASN 6 2HB ASN 6 -8.889 -5.227 8.622
43 HB3 ASN 6 1HB ASN 6 -7.717 -3.919 9.035
44 HD21 ASN 6 1HD2 ASN 6 -10.728 -5.271 9.849
45 HD22 ASN 6 2HD2 ASN 6 -11.409 -3.921 10.734
46 H PHE 7 H PHE 7 -8.417 -5.993 6.754
47 HA PHE 7 HA PHE 7 -5.861 -5.556 5.502
48 HB2 PHE 7 2HB PHE 7 -7.403 -8.138 6.199
49 HB3 PHE 7 1HB PHE 7 -5.714 -8.083 5.552
50 HD1 PHE 7 1HD PHE 7 -3.947 -6.820 6.856
51 HD2 PHE 7 2HD PHE 7 -7.779 -7.805 8.537
52 HE1 PHE 7 1HE PHE 7 -3.043 -6.458 9.130
53 HE2 PHE 7 2HE PHE 7 -6.871 -7.446 10.811
54 HZ PHE 7 HZ PHE 7 -4.503 -6.768 11.111
55 H GLY 8 H GLY 8 -8.977 -5.376 4.358
56 HA2 GLY 8 2HA GLY 8 -8.618 -6.874 1.923
57 HA3 GLY 8 1HA GLY 8 -9.979 -5.812 2.427
58 H HIS 9 H HIS 9 -7.606 -3.825 3.153
59 HA HIS 9 HA HIS 9 -7.419 -2.601 0.507
60 HB2 HIS 9 2HB HIS 9 -6.582 -1.575 3.289
61 HB3 HIS 9 1HB HIS 9 -6.475 -0.642 1.753
62 HD1 HIS 9 1HD HIS 9 -9.210 -0.861 0.522
63 HD2 HIS 9 2HD HIS 9 -8.681 -0.533 4.670
64 HE1 HIS 9 1HE HIS 9 -11.361 0.090 1.526
65 H ILE 10 H ILE 10 -5.633 -4.255 3.042
66 HA ILE 10 HA ILE 10 -3.063 -3.368 2.301
67 HB ILE 10 HB ILE 10 -4.007 -5.514 4.197
68 HG12 ILE 10 2HG1 ILE 10 -3.162 -2.551 4.307
69 HG13 ILE 10 1HG1 ILE 10 -4.717 -3.285 4.825
70 HG21 ILE 10 1HG2 ILE 10 -1.637 -5.478 5.059
71 HG22 ILE 10 2HG2 ILE 10 -1.159 -4.422 3.674
72 HG23 ILE 10 3HG2 ILE 10 -1.729 -6.113 3.398
73 HD11 ILE 10 3HD1 ILE 10 -3.438 -4.486 6.680
74 HD12 ILE 10 1HD1 ILE 10 -3.416 -2.680 6.795
75 HD13 ILE 10 2HD1 ILE 10 -1.970 -3.553 6.166
76 H GLN 11 H GLN 11 -5.073 -6.168 1.527
77 HA GLN 11 HA GLN 11 -2.977 -7.692 0.369
78 HB2 GLN 11 2HB GLN 11 -4.729 -9.209 -0.434
79 HB3 GLN 11 1HB GLN 11 -4.977 -8.765 1.286
80 HG2 GLN 11 2HG GLN 11 -6.710 -7.051 0.564
81 HG3 GLN 11 1HG GLN 11 -6.515 -7.601 -1.138
82 HE21 GLN 11 1HE2 GLN 11 -7.846 -9.252 -1.788
83 HE22 GLN 11 2HE2 GLN 11 -8.695 -10.364 -0.733
84 H VAL 12 H VAL 12 -4.661 -4.906 -0.745
85 HA VAL 12 HA VAL 12 -4.422 -5.614 -3.560
86 HB VAL 12 HB VAL 12 -5.718 -3.207 -2.180
87 HG11 VAL 12 1HG1 VAL 12 -5.038 -2.633 -4.509
88 HG12 VAL 12 2HG1 VAL 12 -6.814 -2.885 -4.446
89 HG13 VAL 12 3HG1 VAL 12 -5.753 -4.174 -5.125
90 HG21 VAL 12 3HG2 VAL 12 -6.902 -5.320 -1.613
91 HG22 VAL 12 1HG2 VAL 12 -6.922 -5.805 -3.350
92 HG23 VAL 12 2HG2 VAL 12 -7.868 -4.374 -2.794
93 H LYS 13 H LYS 13 -3.081 -3.570 -1.016
94 HA LYS 13 HA LYS 13 -2.028 -1.659 -2.827
95 HB2 LYS 13 2HB LYS 13 -1.324 -0.422 -0.942
96 HB3 LYS 13 1HB LYS 13 -2.956 -1.142 -0.577
97 HG2 LYS 13 2HG LYS 13 -1.964 -1.524 1.426
98 HG3 LYS 13 1HG LYS 13 -1.437 -3.026 0.587
99 HD2 LYS 13 2HD LYS 13 0.670 -1.806 -0.086
100 HD3 LYS 13 1HD LYS 13 0.154 -0.406 0.892
101 HE2 LYS 13 2HE LYS 13 0.725 -3.266 1.978
102 HE3 LYS 13 1HE LYS 13 1.803 -1.822 2.160
103 HZ1 LYS 13 3HZ LYS 13 -0.949 -2.099 3.245
104 HZ2 LYS 13 1HZ LYS 13 0.067 -0.748 3.416
105 HZ3 LYS 13 2HZ LYS 13 0.503 -2.232 4.117
106 H VAL 14 H VAL 14 -0.796 -4.438 -1.546
107 HA VAL 14 HA VAL 14 1.925 -3.847 -1.799
108 HB VAL 14 HB VAL 14 2.153 -6.370 -1.897
109 HG11 VAL 14 1HG1 VAL 14 1.979 -4.974 0.221
110 HG12 VAL 14 2HG1 VAL 14 1.252 -6.621 0.459
111 HG13 VAL 14 3HG1 VAL 14 0.188 -5.192 0.147
112 HG21 VAL 14 3HG2 VAL 14 -0.936 -6.379 -1.828
113 HG22 VAL 14 1HG2 VAL 14 0.121 -7.782 -1.462
114 HG23 VAL 14 2HG2 VAL 14 0.131 -7.077 -3.106
115 H PHE 15 H PHE 15 -0.498 -4.789 -3.771
116 HA PHE 15 HA PHE 15 1.123 -5.435 -6.158
117 HB2 PHE 15 2HB PHE 15 -1.953 -5.289 -5.962
118 HB3 PHE 15 1HB PHE 15 -1.023 -5.814 -7.415
119 HD1 PHE 15 1HD PHE 15 0.938 -7.643 -6.742
120 HD2 PHE 15 2HD PHE 15 -2.828 -7.059 -4.753
121 HE1 PHE 15 1HE PHE 15 1.016 -9.967 -5.913
122 HE2 PHE 15 2HE PHE 15 -2.758 -9.401 -3.944
123 HZ PHE 15 HZ PHE 15 -0.831 -10.853 -4.513
124 H ASN 16 H ASN 16 -0.487 -2.675 -4.764
125 HA ASN 16 HA ASN 16 -0.684 -1.192 -7.183
126 HB2 ASN 16 2HB ASN 16 -2.130 -0.803 -5.105
127 HB3 ASN 16 1HB ASN 16 -0.675 -0.156 -4.278
128 HD21 ASN 16 1HD2 ASN 16 -2.555 0.244 -7.374
129 HD22 ASN 16 2HD2 ASN 16 -2.422 1.990 -7.440
130 H HIS 17 H HIS 17 1.782 -1.693 -4.585
131 HA HIS 17 HA HIS 17 3.418 0.297 -5.082
132 HB2 HIS 17 2HB HIS 17 4.105 -2.567 -4.273
133 HB3 HIS 17 1HB HIS 17 5.260 -1.193 -4.154
134 HD1 HIS 17 1HD HIS 17 4.348 -2.768 -1.618
135 HD2 HIS 17 2HD HIS 17 2.664 0.862 -2.885
136 HE1 HIS 17 1HE HIS 17 3.343 -1.598 0.418
137 H GLY 18 H GLY 18 5.335 0.620 -6.362
138 HA2 GLY 18 2HA GLY 18 5.325 -0.926 -8.857
139 HA3 GLY 18 1HA GLY 18 5.833 0.783 -8.576
140 H GLU 19 H GLU 19 7.964 1.069 -8.646
141 HA GLU 19 HA GLU 19 9.722 -1.209 -8.069
142 HB2 GLU 19 2HB GLU 19 10.222 1.369 -9.658
143 HB3 GLU 19 1HB GLU 19 11.434 0.064 -9.364
144 HG2 GLU 19 2HG GLU 19 9.965 -1.568 -10.590
145 HG3 GLU 19 1HG GLU 19 8.786 -0.248 -10.937
146 H HIS 20 H HIS 20 9.055 -0.570 -5.743
147 HA HIS 20 HA HIS 20 11.329 0.876 -4.729
148 HB2 HIS 20 2HB HIS 20 9.976 2.175 -3.045
149 HB3 HIS 20 1HB HIS 20 9.709 2.717 -4.729
150 HD1 HIS 20 1HD HIS 20 7.878 0.634 -2.057
151 HD2 HIS 20 2HD HIS 20 7.113 2.711 -5.622
152 HE1 HIS 20 1HE HIS 20 5.347 0.752 -2.381
153 H ILE 21 H ILE 21 11.313 0.497 -2.194
154 HA ILE 21 HA ILE 21 11.015 -2.327 -1.916
155 HB ILE 21 HB ILE 21 12.065 -1.861 0.338
156 HG12 ILE 21 2HG1 ILE 21 12.464 0.973 -0.812
157 HG13 ILE 21 1HG1 ILE 21 11.309 0.555 0.499
158 HG21 ILE 21 1HG2 ILE 21 13.556 -0.945 -2.205
159 HG22 ILE 21 2HG2 ILE 21 13.253 -2.655 -1.711
160 HG23 ILE 21 3HG2 ILE 21 14.300 -1.601 -0.699
161 HD11 ILE 21 3HD1 ILE 21 13.377 1.463 1.474
162 HD12 ILE 21 1HD1 ILE 21 14.377 0.230 0.625
163 HD13 ILE 21 2HD1 ILE 21 13.220 -0.280 1.913
164 H HIS 22 H HIS 22 9.914 -3.373 -0.212
165 HA HIS 22 HA HIS 22 8.149 -1.867 1.465
166 HB2 HIS 22 2HB HIS 22 6.709 -2.131 -0.594
167 HB3 HIS 22 1HB HIS 22 7.006 -3.897 -0.568
168 HD1 HIS 22 1HD HIS 22 5.782 -1.364 2.117
169 HD2 HIS 22 2HD HIS 22 4.778 -5.109 0.513
170 HE1 HIS 22 1HE HIS 22 3.720 -2.233 3.352
171 H HIS 23 H HIS 23 10.230 -2.905 2.440
172 HA HIS 23 HA HIS 23 9.849 -5.741 3.038
173 HB2 HIS 23 2HB HIS 23 12.161 -3.816 3.666
174 HB3 HIS 23 1HB HIS 23 12.077 -5.539 4.178
175 HD1 HIS 23 1HD HIS 23 12.102 -3.549 0.859
176 HD2 HIS 23 2HD HIS 23 13.106 -7.328 2.377
177 HE1 HIS 23 1HE HIS 23 13.244 -4.873 -1.002
Start of MODEL 14
1 H1 PHE 1 1HT PHE 1 -22.454 0.603 2.581
2 H2 PHE 1 2HT PHE 1 -22.811 1.002 4.194
3 H3 PHE 1 3HT PHE 1 -23.754 -0.149 3.376
4 HA PHE 1 HA PHE 1 -21.930 -1.638 3.232
5 HB2 PHE 1 2HB PHE 1 -20.398 0.570 4.779
6 HB3 PHE 1 1HB PHE 1 -19.784 -1.112 4.596
7 HD1 PHE 1 2HD PHE 1 -19.406 -2.057 2.283
8 HD2 PHE 1 1HD PHE 1 -20.025 2.134 3.008
9 HE1 PHE 1 2HE PHE 1 -18.345 -1.525 0.113
10 HE2 PHE 1 1HE PHE 1 -18.964 2.665 0.836
11 HZ PHE 1 HZ PHE 1 -18.119 0.838 -0.612
12 H GLU 2 H GLU 2 -21.132 -3.033 5.051
13 HA GLU 2 HA GLU 2 -22.904 -2.804 7.381
14 HB2 GLU 2 2HB GLU 2 -21.331 -5.206 6.258
15 HB3 GLU 2 1HB GLU 2 -22.370 -5.233 7.725
16 HG2 GLU 2 2HG GLU 2 -23.296 -4.718 4.817
17 HG3 GLU 2 1HG GLU 2 -23.508 -6.241 5.751
18 H ASP 3 H ASP 3 -19.544 -3.698 6.320
19 HA ASP 3 HA ASP 3 -18.324 -2.243 8.318
20 HB2 ASP 3 2HB ASP 3 -17.123 -4.124 9.507
21 HB3 ASP 3 1HB ASP 3 -18.835 -3.891 9.989
22 H LEU 4 H LEU 4 -16.867 -1.471 7.037
23 HA LEU 4 HA LEU 4 -15.959 -2.838 4.735
24 HB2 LEU 4 2HB LEU 4 -14.823 -0.261 6.011
25 HB3 LEU 4 1HB LEU 4 -14.419 -0.900 4.388
26 HG LEU 4 HG LEU 4 -17.020 -0.716 3.936
27 HD11 LEU 4 1HD1 LEU 4 -16.647 1.376 6.188
28 HD12 LEU 4 2HD1 LEU 4 -17.786 -0.023 6.205
29 HD13 LEU 4 3HD1 LEU 4 -18.033 1.322 5.039
30 HD21 LEU 4 3HD2 LEU 4 -15.161 1.741 4.008
31 HD22 LEU 4 1HD2 LEU 4 -16.655 1.565 3.013
32 HD23 LEU 4 2HD2 LEU 4 -15.239 0.492 2.708
33 HA PRO 5 HA PRO 5 -12.615 -4.903 6.575
34 HB2 PRO 5 2HB PRO 5 -10.969 -4.447 4.049
35 HB3 PRO 5 1HB PRO 5 -11.483 -6.013 4.799
36 HG2 PRO 5 2HG PRO 5 -12.727 -5.133 2.540
37 HG3 PRO 5 1HG PRO 5 -13.767 -5.717 3.919
38 HD2 PRO 5 2HD PRO 5 -12.914 -2.822 3.407
39 HD3 PRO 5 1HD PRO 5 -14.607 -3.505 3.482
40 H ASN 6 H ASN 6 -10.090 -4.950 6.640
41 HA ASN 6 HA ASN 6 -8.969 -2.265 6.965
42 HB2 ASN 6 2HB ASN 6 -9.584 -3.242 9.259
43 HB3 ASN 6 1HB ASN 6 -8.548 -4.661 8.904
44 HD21 ASN 6 1HD2 ASN 6 -8.333 -1.056 8.604
45 HD22 ASN 6 2HD2 ASN 6 -6.774 -0.874 9.389
46 H PHE 7 H PHE 7 -8.286 -5.806 7.049
47 HA PHE 7 HA PHE 7 -5.725 -5.425 5.810
48 HB2 PHE 7 2HB PHE 7 -7.209 -7.977 6.716
49 HB3 PHE 7 1HB PHE 7 -5.494 -7.918 6.146
50 HD1 PHE 7 1HD PHE 7 -3.861 -6.390 7.385
51 HD2 PHE 7 2HD PHE 7 -7.690 -7.500 8.995
52 HE1 PHE 7 1HE PHE 7 -3.086 -5.779 9.654
53 HE2 PHE 7 2HE PHE 7 -6.909 -6.895 11.264
54 HZ PHE 7 HZ PHE 7 -4.607 -6.032 11.597
55 H GLY 8 H GLY 8 -8.840 -5.561 4.576
56 HA2 GLY 8 2HA GLY 8 -8.338 -7.284 2.330
57 HA3 GLY 8 1HA GLY 8 -9.747 -6.207 2.666
58 H HIS 9 H HIS 9 -8.093 -3.839 3.196
59 HA HIS 9 HA HIS 9 -7.722 -2.904 0.539
60 HB2 HIS 9 2HB HIS 9 -6.976 -1.593 3.227
61 HB3 HIS 9 1HB HIS 9 -7.081 -0.770 1.629
62 HD1 HIS 9 1HD HIS 9 -9.222 -1.865 4.508
63 HD2 HIS 9 2HD HIS 9 -9.776 -0.590 0.554
64 HE1 HIS 9 1HE HIS 9 -11.683 -1.231 4.215
65 H ILE 10 H ILE 10 -5.734 -4.169 3.143
66 HA ILE 10 HA ILE 10 -3.224 -3.242 2.241
67 HB ILE 10 HB ILE 10 -4.072 -5.314 4.260
68 HG12 ILE 10 2HG1 ILE 10 -3.159 -2.367 4.221
69 HG13 ILE 10 1HG1 ILE 10 -4.719 -3.035 4.812
70 HG21 ILE 10 1HG2 ILE 10 -1.240 -4.285 3.564
71 HG22 ILE 10 2HG2 ILE 10 -1.848 -5.978 3.365
72 HG23 ILE 10 3HG2 ILE 10 -1.667 -5.291 5.000
73 HD11 ILE 10 3HD1 ILE 10 -3.340 -2.405 6.719
74 HD12 ILE 10 1HD1 ILE 10 -1.941 -3.343 6.076
75 HD13 ILE 10 2HD1 ILE 10 -3.419 -4.213 6.664
76 H GLN 11 H GLN 11 -5.292 -6.029 1.668
77 HA GLN 11 HA GLN 11 -3.356 -7.707 0.539
78 HB2 GLN 11 2HB GLN 11 -5.072 -9.066 1.188
79 HB3 GLN 11 1HB GLN 11 -6.217 -7.693 1.214
80 HG2 GLN 11 2HG GLN 11 -6.668 -7.918 -1.202
81 HG3 GLN 11 1HG GLN 11 -5.536 -9.327 -1.308
82 HE21 GLN 11 1HE2 GLN 11 -6.031 -11.200 0.213
83 HE22 GLN 11 2HE2 GLN 11 -7.710 -11.578 0.541
84 H VAL 12 H VAL 12 -5.305 -5.072 -0.734
85 HA VAL 12 HA VAL 12 -4.823 -5.864 -3.470
86 HB VAL 12 HB VAL 12 -6.137 -3.367 -2.309
87 HG11 VAL 12 1HG1 VAL 12 -5.171 -2.822 -4.538
88 HG12 VAL 12 2HG1 VAL 12 -6.940 -3.073 -4.724
89 HG13 VAL 12 3HG1 VAL 12 -5.787 -4.369 -5.224
90 HG21 VAL 12 3HG2 VAL 12 -7.406 -5.502 -1.900
91 HG22 VAL 12 1HG2 VAL 12 -7.273 -5.919 -3.647
92 HG23 VAL 12 2HG2 VAL 12 -8.233 -4.484 -3.129
93 H LYS 13 H LYS 13 -3.665 -3.495 -1.107
94 HA LYS 13 HA LYS 13 -2.613 -1.719 -2.990
95 HB2 LYS 13 2HB LYS 13 -1.787 -0.412 -1.188
96 HB3 LYS 13 1HB LYS 13 -3.399 -1.110 -0.717
97 HG2 LYS 13 2HG LYS 13 -2.288 -1.443 1.248
98 HG3 LYS 13 1HG LYS 13 -1.841 -2.968 0.407
99 HD2 LYS 13 2HD LYS 13 0.231 -1.662 -0.444
100 HD3 LYS 13 1HD LYS 13 -0.219 -0.374 0.700
101 HE2 LYS 13 2HE LYS 13 1.510 -1.814 1.767
102 HE3 LYS 13 1HE LYS 13 -0.063 -2.073 2.626
103 HZ1 LYS 13 3HZ LYS 13 1.083 -3.804 0.492
104 HZ2 LYS 13 1HZ LYS 13 -0.383 -4.058 1.311
105 HZ3 LYS 13 2HZ LYS 13 1.086 -4.123 2.161
106 H VAL 14 H VAL 14 -1.219 -4.381 -1.672
107 HA VAL 14 HA VAL 14 1.442 -3.922 -1.809
108 HB VAL 14 HB VAL 14 0.213 -5.838 -0.896
109 HG11 VAL 14 1HG1 VAL 14 -0.585 -7.744 -2.190
110 HG12 VAL 14 2HG1 VAL 14 -0.160 -6.931 -3.731
111 HG13 VAL 14 3HG1 VAL 14 -1.448 -6.244 -2.673
112 HG21 VAL 14 3HG2 VAL 14 1.918 -7.605 -1.475
113 HG22 VAL 14 1HG2 VAL 14 2.720 -5.979 -1.405
114 HG23 VAL 14 2HG2 VAL 14 2.286 -6.712 -3.002
115 H PHE 15 H PHE 15 -0.758 -4.549 -4.175
116 HA PHE 15 HA PHE 15 0.667 -5.429 -6.374
117 HB2 PHE 15 2HB PHE 15 -1.144 -5.184 -7.770
118 HB3 PHE 15 1HB PHE 15 -1.919 -5.292 -6.151
119 HD1 PHE 15 2HD PHE 15 -1.835 -2.441 -5.174
120 HD2 PHE 15 1HD PHE 15 -2.580 -4.029 -9.098
121 HE1 PHE 15 2HE PHE 15 -3.192 -0.466 -5.711
122 HE2 PHE 15 1HE PHE 15 -3.939 -2.041 -9.635
123 HZ PHE 15 HZ PHE 15 -4.252 -0.253 -7.945
124 H ASN 16 H ASN 16 0.185 -2.146 -5.332
125 HA ASN 16 HA ASN 16 1.286 -0.873 -7.609
126 HB2 ASN 16 2HB ASN 16 -0.391 0.174 -6.010
127 HB3 ASN 16 1HB ASN 16 0.867 0.195 -4.736
128 HD21 ASN 16 1HD2 ASN 16 2.111 2.055 -4.630
129 HD22 ASN 16 2HD2 ASN 16 2.263 3.260 -5.893
130 H HIS 17 H HIS 17 2.461 -1.627 -4.259
131 HA HIS 17 HA HIS 17 4.782 -0.431 -4.388
132 HB2 HIS 17 2HB HIS 17 4.018 -2.916 -2.786
133 HB3 HIS 17 1HB HIS 17 5.470 -1.904 -2.455
134 HD1 HIS 17 1HD HIS 17 3.745 -1.991 -0.118
135 HD2 HIS 17 2HD HIS 17 2.932 0.763 -3.180
136 HE1 HIS 17 1HE HIS 17 2.367 -0.078 0.866
137 H GLY 18 H GLY 18 4.037 -3.776 -5.322
138 HA2 GLY 18 2HA GLY 18 6.245 -3.876 -7.078
139 HA3 GLY 18 1HA GLY 18 6.526 -4.832 -5.559
140 H GLU 19 H GLU 19 5.763 -6.824 -5.479
141 HA GLU 19 HA GLU 19 5.024 -8.736 -6.076
142 HB2 GLU 19 2HB GLU 19 2.740 -7.463 -7.661
143 HB3 GLU 19 1HB GLU 19 2.965 -9.215 -7.311
144 HG2 GLU 19 2HG GLU 19 2.899 -8.628 -4.804
145 HG3 GLU 19 1HG GLU 19 2.402 -6.961 -5.284
146 H HIS 20 H HIS 20 6.971 -9.076 -7.091
147 HA HIS 20 HA HIS 20 8.358 -9.605 -8.633
148 HB2 HIS 20 2HB HIS 20 6.131 -9.494 -10.739
149 HB3 HIS 20 1HB HIS 20 7.803 -10.098 -10.993
150 HD1 HIS 20 1HD HIS 20 4.696 -10.984 -8.884
151 HD2 HIS 20 2HD HIS 20 8.216 -12.739 -10.347
152 HE1 HIS 20 1HE HIS 20 4.607 -13.489 -8.378
153 H ILE 21 H ILE 21 7.075 -7.875 -11.369
154 HA ILE 21 HA ILE 21 8.962 -5.739 -10.964
155 HB ILE 21 HB ILE 21 8.201 -5.112 -13.282
156 HG12 ILE 21 2HG1 ILE 21 6.728 -7.825 -13.176
157 HG13 ILE 21 1HG1 ILE 21 5.924 -6.218 -13.130
158 HG21 ILE 21 1HG2 ILE 21 9.314 -7.963 -12.875
159 HG22 ILE 21 2HG2 ILE 21 10.255 -6.430 -12.739
160 HG23 ILE 21 3HG2 ILE 21 9.549 -6.912 -14.320
161 HD11 ILE 21 3HD1 ILE 21 7.633 -7.327 -15.452
162 HD12 ILE 21 1HD1 ILE 21 6.913 -5.672 -15.388
163 HD13 ILE 21 2HD1 ILE 21 5.845 -7.125 -15.416
164 H HIS 22 H HIS 22 8.018 -3.513 -11.784
165 HA HIS 22 HA HIS 22 5.947 -2.857 -9.910
166 HB2 HIS 22 2HB HIS 22 7.991 -1.414 -10.185
167 HB3 HIS 22 1HB HIS 22 7.532 -1.114 -11.891
168 HD1 HIS 22 1HD HIS 22 5.950 -0.598 -8.389
169 HD2 HIS 22 2HD HIS 22 5.980 1.155 -12.200
170 HE1 HIS 22 1HE HIS 22 4.562 1.543 -8.288
171 H HIS 23 H HIS 23 6.463 -2.982 -13.405
172 HA HIS 23 HA HIS 23 4.077 -1.638 -14.099
173 HB2 HIS 23 2HB HIS 23 6.116 -1.670 -15.534
174 HB3 HIS 23 1HB HIS 23 5.902 -3.427 -15.810
175 HD1 HIS 23 1HD HIS 23 3.563 -4.026 -17.211
176 HD2 HIS 23 2HD HIS 23 4.753 -0.002 -17.248
177 HE1 HIS 23 1HE HIS 23 2.330 -2.850 -19.116
Start of MODEL 15
1 H1 PHE 1 1HT PHE 1 -18.824 4.941 6.472
2 H2 PHE 1 2HT PHE 1 -18.037 4.847 4.969
3 H3 PHE 1 3HT PHE 1 -17.948 3.546 6.058
4 HA PHE 1 HA PHE 1 -20.370 4.557 4.748
5 HB2 PHE 1 2HB PHE 1 -18.758 3.394 3.177
6 HB3 PHE 1 1HB PHE 1 -18.762 1.951 4.244
7 HD1 PHE 1 1HD PHE 1 -21.452 4.218 2.751
8 HD2 PHE 1 2HD PHE 1 -19.942 0.219 3.253
9 HE1 PHE 1 1HE PHE 1 -23.378 3.328 1.493
10 HE2 PHE 1 2HE PHE 1 -21.869 -0.664 1.982
11 HZ PHE 1 HZ PHE 1 -23.594 0.888 1.104
12 H GLU 2 H GLU 2 -20.050 1.157 5.457
13 HA GLU 2 HA GLU 2 -21.762 1.450 7.836
14 HB2 GLU 2 2HB GLU 2 -21.626 -0.807 5.737
15 HB3 GLU 2 1HB GLU 2 -22.610 -0.851 7.242
16 HG2 GLU 2 2HG GLU 2 -22.942 1.119 4.877
17 HG3 GLU 2 1HG GLU 2 -23.979 -0.308 5.232
18 H ASP 3 H ASP 3 -19.605 -0.987 6.214
19 HA ASP 3 HA ASP 3 -17.760 -0.894 8.331
20 HB2 ASP 3 2HB ASP 3 -17.816 -3.339 8.899
21 HB3 ASP 3 1HB ASP 3 -19.176 -2.392 9.591
22 H LEU 4 H LEU 4 -16.186 -0.568 7.023
23 HA LEU 4 HA LEU 4 -15.906 -2.158 4.575
24 HB2 LEU 4 2HB LEU 4 -14.425 0.377 5.527
25 HB3 LEU 4 1HB LEU 4 -14.145 -0.437 3.952
26 HG LEU 4 HG LEU 4 -16.774 0.888 4.850
27 HD11 LEU 4 1HD1 LEU 4 -14.963 2.546 4.485
28 HD12 LEU 4 2HD1 LEU 4 -16.227 2.665 3.205
29 HD13 LEU 4 3HD1 LEU 4 -14.650 1.867 2.843
30 HD21 LEU 4 3HD2 LEU 4 -17.476 0.645 2.451
31 HD22 LEU 4 1HD2 LEU 4 -17.258 -0.947 3.255
32 HD23 LEU 4 2HD2 LEU 4 -15.995 -0.329 2.121
33 HA PRO 5 HA PRO 5 -12.849 -4.452 6.563
34 HB2 PRO 5 2HB PRO 5 -11.137 -4.417 4.039
35 HB3 PRO 5 1HB PRO 5 -11.865 -5.839 4.891
36 HG2 PRO 5 2HG PRO 5 -12.955 -4.968 2.550
37 HG3 PRO 5 1HG PRO 5 -14.078 -5.311 3.945
38 HD2 PRO 5 2HD PRO 5 -12.837 -2.598 3.252
39 HD3 PRO 5 1HD PRO 5 -14.611 -3.036 3.341
40 H ASN 6 H ASN 6 -10.360 -4.822 6.704
41 HA ASN 6 HA ASN 6 -8.954 -2.254 6.976
42 HB2 ASN 6 2HB ASN 6 -9.562 -3.278 9.241
43 HB3 ASN 6 1HB ASN 6 -8.684 -4.770 8.780
44 HD21 ASN 6 1HD2 ASN 6 -8.157 -1.184 8.707
45 HD22 ASN 6 2HD2 ASN 6 -6.542 -1.199 9.396
46 H PHE 7 H PHE 7 -8.511 -5.835 6.909
47 HA PHE 7 HA PHE 7 -5.966 -5.589 5.646
48 HB2 PHE 7 2HB PHE 7 -7.663 -8.064 6.376
49 HB3 PHE 7 1HB PHE 7 -5.948 -8.115 5.803
50 HD1 PHE 7 1HD PHE 7 -4.185 -6.852 7.137
51 HD2 PHE 7 2HD PHE 7 -8.112 -7.668 8.685
52 HE1 PHE 7 1HE PHE 7 -3.361 -6.463 9.437
53 HE2 PHE 7 2HE PHE 7 -7.284 -7.284 10.984
54 HZ PHE 7 HZ PHE 7 -4.908 -6.681 11.364
55 H GLY 8 H GLY 8 -9.124 -5.507 4.428
56 HA2 GLY 8 2HA GLY 8 -8.618 -7.008 2.019
57 HA3 GLY 8 1HA GLY 8 -10.059 -6.039 2.492
58 H HIS 9 H HIS 9 -7.469 -4.102 3.148
59 HA HIS 9 HA HIS 9 -7.426 -2.848 0.491
60 HB2 HIS 9 2HB HIS 9 -6.882 -1.636 3.270
61 HB3 HIS 9 1HB HIS 9 -6.848 -0.748 1.701
62 HD1 HIS 9 1HD HIS 9 -9.047 -1.096 4.472
63 HD2 HIS 9 2HD HIS 9 -9.639 -1.337 0.327
64 HE1 HIS 9 1HE HIS 9 -11.525 -0.687 3.998
65 H ILE 10 H ILE 10 -5.687 -4.333 3.152
66 HA ILE 10 HA ILE 10 -3.116 -3.325 2.547
67 HB ILE 10 HB ILE 10 -4.063 -5.527 4.366
68 HG12 ILE 10 2HG1 ILE 10 -3.286 -2.547 4.568
69 HG13 ILE 10 1HG1 ILE 10 -4.859 -3.308 4.979
70 HG21 ILE 10 1HG2 ILE 10 -1.725 -5.426 5.312
71 HG22 ILE 10 2HG2 ILE 10 -1.237 -4.323 3.969
72 HG23 ILE 10 3HG2 ILE 10 -1.728 -6.029 3.636
73 HD11 ILE 10 3HD1 ILE 10 -3.687 -2.739 7.036
74 HD12 ILE 10 1HD1 ILE 10 -2.196 -3.579 6.473
75 HD13 ILE 10 2HD1 ILE 10 -3.677 -4.542 6.874
76 H GLN 11 H GLN 11 -5.019 -6.176 1.690
77 HA GLN 11 HA GLN 11 -2.832 -7.608 0.551
78 HB2 GLN 11 2HB GLN 11 -4.505 -9.238 -0.201
79 HB3 GLN 11 1HB GLN 11 -4.758 -8.786 1.516
80 HG2 GLN 11 2HG GLN 11 -6.616 -7.196 0.795
81 HG3 GLN 11 1HG GLN 11 -6.387 -7.742 -0.904
82 HE21 GLN 11 1HE2 GLN 11 -6.940 -9.075 2.439
83 HE22 GLN 11 2HE2 GLN 11 -7.980 -10.390 1.930
84 H VAL 12 H VAL 12 -4.649 -4.922 -0.548
85 HA VAL 12 HA VAL 12 -4.539 -5.678 -3.353
86 HB VAL 12 HB VAL 12 -5.784 -3.241 -1.983
87 HG11 VAL 12 1HG1 VAL 12 -7.024 -3.049 -4.194
88 HG12 VAL 12 2HG1 VAL 12 -5.980 -4.354 -4.870
89 HG13 VAL 12 3HG1 VAL 12 -5.260 -2.773 -4.375
90 HG21 VAL 12 3HG2 VAL 12 -6.899 -5.331 -1.236
91 HG22 VAL 12 1HG2 VAL 12 -7.012 -5.913 -2.940
92 HG23 VAL 12 2HG2 VAL 12 -7.950 -4.468 -2.408
93 H LYS 13 H LYS 13 -3.057 -3.594 -0.927
94 HA LYS 13 HA LYS 13 -2.109 -1.688 -2.796
95 HB2 LYS 13 2HB LYS 13 -1.218 -0.510 -0.958
96 HB3 LYS 13 1HB LYS 13 -2.758 -1.275 -0.379
97 HG2 LYS 13 2HG LYS 13 -1.455 -1.772 1.440
98 HG3 LYS 13 1HG LYS 13 -0.977 -3.173 0.420
99 HD2 LYS 13 2HD LYS 13 0.904 -1.686 -0.493
100 HD3 LYS 13 1HD LYS 13 0.491 -0.488 0.767
101 HE2 LYS 13 2HE LYS 13 1.011 -2.187 2.571
102 HE3 LYS 13 1HE LYS 13 1.373 -3.424 1.297
103 HZ1 LYS 13 3HZ LYS 13 2.815 -0.856 1.703
104 HZ2 LYS 13 1HZ LYS 13 3.148 -2.016 0.507
105 HZ3 LYS 13 2HZ LYS 13 3.353 -2.405 2.148
106 H VAL 14 H VAL 14 -0.887 -4.551 -1.758
107 HA VAL 14 HA VAL 14 1.830 -4.109 -1.975
108 HB VAL 14 HB VAL 14 1.946 -6.591 -2.335
109 HG11 VAL 14 1HG1 VAL 14 -0.135 -5.656 -0.277
110 HG12 VAL 14 2HG1 VAL 14 1.649 -5.439 -0.064
111 HG13 VAL 14 3HG1 VAL 14 0.927 -7.104 -0.091
112 HG21 VAL 14 3HG2 VAL 14 0.021 -7.121 -3.732
113 HG22 VAL 14 1HG2 VAL 14 -1.126 -6.457 -2.507
114 HG23 VAL 14 2HG2 VAL 14 -0.186 -7.950 -2.159
115 H PHE 15 H PHE 15 -0.595 -4.702 -4.096
116 HA PHE 15 HA PHE 15 0.899 -5.447 -6.471
117 HB2 PHE 15 2HB PHE 15 -2.042 -4.529 -6.271
118 HB3 PHE 15 1HB PHE 15 -1.277 -5.213 -7.758
119 HD1 PHE 15 2HD PHE 15 0.215 -7.513 -7.031
120 HD2 PHE 15 1HD PHE 15 -3.454 -6.088 -5.301
121 HE1 PHE 15 2HE PHE 15 -0.333 -9.804 -6.298
122 HE2 PHE 15 1HE PHE 15 -4.005 -8.387 -4.583
123 HZ PHE 15 HZ PHE 15 -2.442 -10.250 -5.071
124 H ASN 16 H ASN 16 -0.473 -2.430 -5.181
125 HA ASN 16 HA ASN 16 0.086 -0.888 -7.503
126 HB2 ASN 16 2HB ASN 16 -1.706 -0.325 -5.787
127 HB3 ASN 16 1HB ASN 16 -0.417 0.010 -4.587
128 HD21 ASN 16 1HD2 ASN 16 0.314 2.118 -4.509
129 HD22 ASN 16 2HD2 ASN 16 0.079 3.334 -5.748
130 H HIS 17 H HIS 17 1.654 -1.488 -4.295
131 HA HIS 17 HA HIS 17 3.574 0.270 -4.390
132 HB2 HIS 17 2HB HIS 17 2.788 -1.096 -2.440
133 HB3 HIS 17 1HB HIS 17 3.741 -2.485 -3.059
134 HD1 HIS 17 1HD HIS 17 6.423 -2.205 -2.712
135 HD2 HIS 17 2HD HIS 17 4.142 0.989 -1.241
136 HE1 HIS 17 1HE HIS 17 7.939 -0.767 -1.239
137 H GLY 18 H GLY 18 5.858 0.206 -4.782
138 HA2 GLY 18 2HA GLY 18 7.381 -1.792 -5.734
139 HA3 GLY 18 1HA GLY 18 6.548 -1.083 -7.190
140 H GLU 19 H GLU 19 6.224 1.517 -5.960
141 HA GLU 19 HA GLU 19 7.084 3.454 -5.816
142 HB2 GLU 19 2HB GLU 19 9.757 2.249 -4.953
143 HB3 GLU 19 1HB GLU 19 9.285 3.976 -4.838
144 HG2 GLU 19 2HG GLU 19 7.967 1.607 -3.343
145 HG3 GLU 19 1HG GLU 19 9.091 2.825 -2.641
146 H HIS 20 H HIS 20 6.729 3.879 -7.935
147 HA HIS 20 HA HIS 20 8.824 3.232 -9.857
148 HB2 HIS 20 2HB HIS 20 5.952 4.200 -10.350
149 HB3 HIS 20 1HB HIS 20 7.067 3.437 -11.546
150 HD1 HIS 20 1HD HIS 20 7.773 0.794 -10.680
151 HD2 HIS 20 2HD HIS 20 4.250 2.460 -9.125
152 HE1 HIS 20 1HE HIS 20 6.364 -1.098 -9.695
153 H ILE 21 H ILE 21 8.239 5.116 -11.838
154 HA ILE 21 HA ILE 21 9.284 7.532 -10.685
155 HB ILE 21 HB ILE 21 9.496 8.148 -13.127
156 HG12 ILE 21 2HG1 ILE 21 7.714 6.355 -13.853
157 HG13 ILE 21 1HG1 ILE 21 9.145 6.708 -14.864
158 HG21 ILE 21 1HG2 ILE 21 11.549 6.775 -13.369
159 HG22 ILE 21 2HG2 ILE 21 10.994 5.689 -12.035
160 HG23 ILE 21 3HG2 ILE 21 11.342 7.423 -11.697
161 HD11 ILE 21 3HD1 ILE 21 10.284 4.637 -14.134
162 HD12 ILE 21 1HD1 ILE 21 8.666 4.292 -14.835
163 HD13 ILE 21 2HD1 ILE 21 8.898 4.223 -13.057
164 H HIS 22 H HIS 22 8.448 9.553 -11.842
165 HA HIS 22 HA HIS 22 6.961 11.045 -12.127
166 HB2 HIS 22 2HB HIS 22 5.909 9.532 -13.856
167 HB3 HIS 22 1HB HIS 22 4.768 8.965 -12.596
168 HD1 HIS 22 1HD HIS 22 5.868 12.396 -14.045
169 HD2 HIS 22 2HD HIS 22 2.429 10.427 -12.664
170 HE1 HIS 22 1HE HIS 22 3.879 13.974 -14.330
171 H HIS 23 H HIS 23 7.472 9.498 -9.530
172 HA HIS 23 HA HIS 23 5.106 10.211 -7.983
173 HB2 HIS 23 2HB HIS 23 7.775 8.917 -7.177
174 HB3 HIS 23 1HB HIS 23 6.439 9.317 -6.038
175 HD1 HIS 23 1HD HIS 23 6.828 6.560 -5.719
176 HD2 HIS 23 2HD HIS 23 4.736 7.817 -9.135
177 HE1 HIS 23 1HE HIS 23 5.482 4.580 -6.609
Start of MODEL 16
1 H1 PHE 1 1HT PHE 1 -12.130 2.637 -5.165
2 H2 PHE 1 2HT PHE 1 -13.272 2.967 -3.951
3 H3 PHE 1 3HT PHE 1 -13.675 3.206 -5.584
4 HA PHE 1 HA PHE 1 -13.503 0.889 -6.026
5 HB2 PHE 1 2HB PHE 1 -13.004 0.595 -2.975
6 HB3 PHE 1 1HB PHE 1 -13.197 -0.778 -4.130
7 HD1 PHE 1 1HD PHE 1 -11.563 -0.904 -6.131
8 HD2 PHE 1 2HD PHE 1 -10.819 1.352 -2.547
9 HE1 PHE 1 1HE PHE 1 -9.129 -1.014 -6.563
10 HE2 PHE 1 2HE PHE 1 -8.387 1.241 -2.984
11 HZ PHE 1 HZ PHE 1 -7.537 0.053 -4.989
12 H GLU 2 H GLU 2 -15.004 -0.709 -3.922
13 HA GLU 2 HA GLU 2 -17.572 0.720 -3.933
14 HB2 GLU 2 2HB GLU 2 -16.864 -2.255 -3.612
15 HB3 GLU 2 1HB GLU 2 -18.538 -1.590 -3.608
16 HG2 GLU 2 2HG GLU 2 -16.569 -1.604 -5.995
17 HG3 GLU 2 1HG GLU 2 -18.003 -2.668 -5.778
18 H ASP 3 H ASP 3 -15.009 0.644 -2.180
19 HA ASP 3 HA ASP 3 -14.338 0.859 -0.245
20 HB2 ASP 3 2HB ASP 3 -15.445 1.234 1.818
21 HB3 ASP 3 1HB ASP 3 -16.123 2.232 0.491
22 H LEU 4 H LEU 4 -12.964 -0.516 0.427
23 HA LEU 4 HA LEU 4 -13.725 -3.333 0.430
24 HB2 LEU 4 2HB LEU 4 -10.948 -1.986 0.437
25 HB3 LEU 4 1HB LEU 4 -11.260 -3.738 0.206
26 HG LEU 4 HG LEU 4 -12.054 -1.460 -1.700
27 HD11 LEU 4 1HD1 LEU 4 -10.339 -2.433 -3.216
28 HD12 LEU 4 2HD1 LEU 4 -9.929 -3.674 -1.974
29 HD13 LEU 4 3HD1 LEU 4 -9.610 -1.928 -1.645
30 HD21 LEU 4 3HD2 LEU 4 -12.693 -3.261 -3.323
31 HD22 LEU 4 1HD2 LEU 4 -13.753 -3.264 -1.872
32 HD23 LEU 4 2HD2 LEU 4 -12.451 -4.504 -2.039
33 HA PRO 5 HA PRO 5 -13.243 -3.503 4.735
34 HB2 PRO 5 2HB PRO 5 -11.692 -6.115 4.468
35 HB3 PRO 5 1HB PRO 5 -13.262 -5.814 5.319
36 HG2 PRO 5 2HG PRO 5 -13.270 -7.121 2.926
37 HG3 PRO 5 1HG PRO 5 -14.457 -5.753 3.154
38 HD2 PRO 5 2HD PRO 5 -11.668 -5.515 1.925
39 HD3 PRO 5 1HD PRO 5 -13.284 -5.140 1.155
40 H ASN 6 H ASN 6 -11.628 -4.214 6.537
41 HA ASN 6 HA ASN 6 -9.593 -2.300 6.497
42 HB2 ASN 6 2HB ASN 6 -10.866 -3.015 8.559
43 HB3 ASN 6 1HB ASN 6 -10.069 -4.619 8.490
44 HD21 ASN 6 1HD2 ASN 6 -8.196 -4.825 9.670
45 HD22 ASN 6 2HD2 ASN 6 -7.212 -3.509 10.280
46 H PHE 7 H PHE 7 -9.451 -5.906 6.587
47 HA PHE 7 HA PHE 7 -6.613 -5.951 6.257
48 HB2 PHE 7 2HB PHE 7 -8.716 -8.210 6.109
49 HB3 PHE 7 1HB PHE 7 -6.922 -8.447 6.180
50 HD1 PHE 7 1HD PHE 7 -5.658 -7.469 8.183
51 HD2 PHE 7 2HD PHE 7 -9.938 -7.883 8.124
52 HE1 PHE 7 1HE PHE 7 -5.713 -7.278 10.648
53 HE2 PHE 7 2HE PHE 7 -9.989 -7.690 10.590
54 HZ PHE 7 HZ PHE 7 -7.878 -7.384 11.856
55 H GLY 8 H GLY 8 -9.359 -5.694 4.154
56 HA2 GLY 8 2HA GLY 8 -7.948 -6.754 1.846
57 HA3 GLY 8 1HA GLY 8 -9.635 -6.156 1.983
58 H HIS 9 H HIS 9 -7.010 -4.270 3.364
59 HA HIS 9 HA HIS 9 -6.951 -2.509 1.006
60 HB2 HIS 9 2HB HIS 9 -6.331 -1.850 3.950
61 HB3 HIS 9 1HB HIS 9 -6.056 -0.742 2.560
62 HD1 HIS 9 1HD HIS 9 -8.746 -0.955 1.055
63 HD2 HIS 9 2HD HIS 9 -8.430 -0.606 5.224
64 HE1 HIS 9 1HE HIS 9 -10.912 0.078 1.933
65 H ILE 10 H ILE 10 -5.226 -4.383 3.451
66 HA ILE 10 HA ILE 10 -2.654 -3.435 2.792
67 HB ILE 10 HB ILE 10 -3.608 -5.819 4.450
68 HG12 ILE 10 2HG1 ILE 10 -2.378 -4.375 6.255
69 HG13 ILE 10 1HG1 ILE 10 -2.514 -3.016 5.089
70 HG21 ILE 10 1HG2 ILE 10 -0.721 -4.825 3.938
71 HG22 ILE 10 2HG2 ILE 10 -1.390 -6.456 3.533
72 HG23 ILE 10 3HG2 ILE 10 -1.202 -5.969 5.244
73 HD11 ILE 10 3HD1 ILE 10 -4.872 -4.655 6.250
74 HD12 ILE 10 1HD1 ILE 10 -5.016 -3.192 5.204
75 HD13 ILE 10 2HD1 ILE 10 -4.325 -3.049 6.854
76 H GLN 11 H GLN 11 -4.525 -6.331 1.972
77 HA GLN 11 HA GLN 11 -2.361 -7.478 0.495
78 HB2 GLN 11 2HB GLN 11 -3.882 -9.327 -0.053
79 HB3 GLN 11 1HB GLN 11 -3.864 -8.919 1.679
80 HG2 GLN 11 2HG GLN 11 -6.109 -9.273 1.384
81 HG3 GLN 11 1HG GLN 11 -6.016 -7.485 1.231
82 HE21 GLN 11 1HE2 GLN 11 -8.166 -7.859 0.190
83 HE22 GLN 11 2HE2 GLN 11 -8.243 -8.263 -1.513
84 H VAL 12 H VAL 12 -4.455 -4.937 -0.276
85 HA VAL 12 HA VAL 12 -4.588 -5.596 -3.106
86 HB VAL 12 HB VAL 12 -5.809 -3.283 -1.530
87 HG11 VAL 12 1HG1 VAL 12 -7.189 -3.000 -3.658
88 HG12 VAL 12 2HG1 VAL 12 -6.109 -4.188 -4.482
89 HG13 VAL 12 3HG1 VAL 12 -5.455 -2.612 -3.905
90 HG21 VAL 12 3HG2 VAL 12 -7.940 -4.588 -1.947
91 HG22 VAL 12 1HG2 VAL 12 -6.792 -5.478 -0.894
92 HG23 VAL 12 2HG2 VAL 12 -6.963 -5.936 -2.633
93 H LYS 13 H LYS 13 -2.854 -3.619 -0.761
94 HA LYS 13 HA LYS 13 -2.122 -1.641 -2.665
95 HB2 LYS 13 2HB LYS 13 -1.068 -0.498 -0.918
96 HB3 LYS 13 1HB LYS 13 -2.444 -1.371 -0.125
97 HG2 LYS 13 2HG LYS 13 -0.840 -1.857 1.428
98 HG3 LYS 13 1HG LYS 13 -0.447 -3.185 0.282
99 HD2 LYS 13 2HD LYS 13 1.170 -1.526 -0.846
100 HD3 LYS 13 1HD LYS 13 0.893 -0.423 0.536
101 HE2 LYS 13 2HE LYS 13 1.786 -2.189 2.124
102 HE3 LYS 13 1HE LYS 13 2.051 -3.301 0.717
103 HZ1 LYS 13 3HZ LYS 13 3.327 -0.646 1.121
104 HZ2 LYS 13 1HZ LYS 13 3.574 -1.683 -0.201
105 HZ3 LYS 13 2HZ LYS 13 4.050 -2.164 1.357
106 H VAL 14 H VAL 14 -0.849 -4.558 -1.862
107 HA VAL 14 HA VAL 14 1.853 -4.127 -2.281
108 HB VAL 14 HB VAL 14 1.919 -6.603 -2.659
109 HG11 VAL 14 1HG1 VAL 14 1.809 -5.470 -0.361
110 HG12 VAL 14 2HG1 VAL 14 1.073 -7.128 -0.346
111 HG13 VAL 14 3HG1 VAL 14 0.012 -5.671 -0.436
112 HG21 VAL 14 3HG2 VAL 14 -0.081 -7.136 -3.905
113 HG22 VAL 14 1HG2 VAL 14 -1.151 -6.423 -2.640
114 HG23 VAL 14 2HG2 VAL 14 -0.231 -7.928 -2.304
115 H PHE 15 H PHE 15 -0.728 -4.628 -4.180
116 HA PHE 15 HA PHE 15 0.426 -5.525 -6.659
117 HB2 PHE 15 2HB PHE 15 -2.332 -4.197 -6.235
118 HB3 PHE 15 1HB PHE 15 -1.803 -5.023 -7.749
119 HD1 PHE 15 1HD PHE 15 -0.494 -7.491 -6.823
120 HD2 PHE 15 2HD PHE 15 -3.987 -5.522 -5.307
121 HE1 PHE 15 1HE PHE 15 -1.362 -9.654 -6.043
122 HE2 PHE 15 2HE PHE 15 -4.866 -7.693 -4.518
123 HZ PHE 15 HZ PHE 15 -3.551 -9.767 -4.874
124 H ASN 16 H ASN 16 -0.569 -2.321 -5.434
125 HA ASN 16 HA ASN 16 0.127 -0.988 -7.863
126 HB2 ASN 16 2HB ASN 16 -1.745 -0.260 -6.283
127 HB3 ASN 16 1HB ASN 16 -0.503 0.148 -5.058
128 HD21 ASN 16 1HD2 ASN 16 -1.310 0.769 -8.560
129 HD22 ASN 16 2HD2 ASN 16 -0.867 2.463 -8.550
130 H HIS 17 H HIS 17 1.554 -1.489 -4.566
131 HA HIS 17 HA HIS 17 3.358 0.403 -4.578
132 HB2 HIS 17 2HB HIS 17 2.569 -0.612 -2.554
133 HB3 HIS 17 1HB HIS 17 3.037 -2.244 -3.134
134 HD1 HIS 17 1HD HIS 17 4.928 0.988 -2.060
135 HD2 HIS 17 2HD HIS 17 5.285 -3.175 -2.229
136 HE1 HIS 17 1HE HIS 17 7.118 0.353 -0.899
137 H GLY 18 H GLY 18 3.952 -3.081 -4.986
138 HA2 GLY 18 2HA GLY 18 6.627 -2.558 -6.046
139 HA3 GLY 18 1HA GLY 18 5.907 -4.114 -5.473
140 H GLU 19 H GLU 19 5.437 -5.529 -7.031
141 HA GLU 19 HA GLU 19 4.144 -4.654 -9.422
142 HB2 GLU 19 2HB GLU 19 5.690 -5.828 -10.989
143 HB3 GLU 19 1HB GLU 19 6.395 -4.348 -10.292
144 HG2 GLU 19 2HG GLU 19 6.969 -7.158 -9.168
145 HG3 GLU 19 1HG GLU 19 7.926 -6.412 -10.499
146 H HIS 20 H HIS 20 3.079 -5.770 -7.406
147 HA HIS 20 HA HIS 20 1.678 -7.286 -6.844
148 HB2 HIS 20 2HB HIS 20 2.238 -8.750 -9.475
149 HB3 HIS 20 1HB HIS 20 0.921 -9.152 -8.329
150 HD1 HIS 20 1HD HIS 20 1.940 -5.827 -10.074
151 HD2 HIS 20 2HD HIS 20 -1.423 -8.183 -9.215
152 HE1 HIS 20 1HE HIS 20 -0.118 -4.654 -11.033
153 H ILE 21 H ILE 21 1.328 -9.430 -5.897
154 HA ILE 21 HA ILE 21 3.830 -10.713 -5.170
155 HB ILE 21 HB ILE 21 2.373 -11.707 -3.369
156 HG12 ILE 21 2HG1 ILE 21 0.326 -9.580 -4.247
157 HG13 ILE 21 1HG1 ILE 21 0.177 -11.329 -4.627
158 HG21 ILE 21 1HG2 ILE 21 2.594 -8.636 -3.469
159 HG22 ILE 21 2HG2 ILE 21 3.919 -9.783 -3.040
160 HG23 ILE 21 3HG2 ILE 21 2.465 -9.655 -1.989
161 HD11 ILE 21 3HD1 ILE 21 -1.181 -10.774 -2.645
162 HD12 ILE 21 1HD1 ILE 21 0.258 -10.110 -1.790
163 HD13 ILE 21 2HD1 ILE 21 0.172 -11.870 -2.174
164 H HIS 22 H HIS 22 2.685 -13.194 -4.458
165 HA HIS 22 HA HIS 22 2.511 -14.385 -7.061
166 HB2 HIS 22 2HB HIS 22 2.449 -15.619 -4.250
167 HB3 HIS 22 1HB HIS 22 2.579 -16.549 -5.788
168 HD1 HIS 22 1HD HIS 22 4.803 -16.884 -3.729
169 HD2 HIS 22 2HD HIS 22 4.980 -13.985 -6.760
170 HE1 HIS 22 1HE HIS 22 7.255 -16.288 -4.125
171 H HIS 23 H HIS 23 0.463 -13.853 -4.227
172 HA HIS 23 HA HIS 23 -1.666 -15.506 -5.153
173 HB2 HIS 23 2HB HIS 23 -1.297 -15.138 -2.724
174 HB3 HIS 23 1HB HIS 23 -1.583 -13.379 -2.940
175 HD1 HIS 23 1HD HIS 23 -3.588 -16.621 -3.687
176 HD2 HIS 23 2HD HIS 23 -4.169 -12.688 -2.341
177 HE1 HIS 23 1HE HIS 23 -6.065 -16.328 -3.130
Start of MODEL 17
1 H1 PHE 1 1HT PHE 1 -23.749 4.046 6.126
2 H2 PHE 1 2HT PHE 1 -22.923 4.474 7.549
3 H3 PHE 1 3HT PHE 1 -23.437 2.871 7.313
4 HA PHE 1 HA PHE 1 -21.440 4.303 5.690
5 HB2 PHE 1 2HB PHE 1 -21.136 2.136 7.884
6 HB3 PHE 1 1HB PHE 1 -19.824 2.486 6.705
7 HD1 PHE 1 2HD PHE 1 -18.692 4.647 6.632
8 HD2 PHE 1 1HD PHE 1 -21.591 3.743 9.677
9 HE1 PHE 1 2HE PHE 1 -17.856 6.538 7.993
10 HE2 PHE 1 1HE PHE 1 -20.749 5.632 11.037
11 HZ PHE 1 HZ PHE 1 -18.881 7.033 10.198
12 H GLU 2 H GLU 2 -20.117 2.808 4.347
13 HA GLU 2 HA GLU 2 -21.768 0.903 2.923
14 HB2 GLU 2 2HB GLU 2 -18.843 1.802 2.537
15 HB3 GLU 2 1HB GLU 2 -19.758 0.711 1.430
16 HG2 GLU 2 2HG GLU 2 -21.368 2.574 0.924
17 HG3 GLU 2 1HG GLU 2 -20.464 3.662 2.044
18 H ASP 3 H ASP 3 -19.018 1.191 5.113
19 HA ASP 3 HA ASP 3 -17.958 -0.090 6.425
20 HB2 ASP 3 2HB ASP 3 -19.687 -2.506 5.697
21 HB3 ASP 3 1HB ASP 3 -18.476 -2.404 7.029
22 H LEU 4 H LEU 4 -16.022 0.004 5.664
23 HA LEU 4 HA LEU 4 -15.364 -1.366 3.185
24 HB2 LEU 4 2HB LEU 4 -13.874 0.847 4.753
25 HB3 LEU 4 1HB LEU 4 -13.332 0.119 3.208
26 HG LEU 4 HG LEU 4 -15.678 0.899 2.287
27 HD11 LEU 4 1HD1 LEU 4 -15.313 2.907 4.610
28 HD12 LEU 4 2HD1 LEU 4 -16.703 1.782 4.385
29 HD13 LEU 4 3HD1 LEU 4 -16.431 3.111 3.211
30 HD21 LEU 4 3HD2 LEU 4 -14.630 3.025 1.524
31 HD22 LEU 4 1HD2 LEU 4 -13.456 1.658 1.474
32 HD23 LEU 4 2HD2 LEU 4 -13.367 2.876 2.804
33 HA PRO 5 HA PRO 5 -13.049 -4.268 5.411
34 HB2 PRO 5 2HB PRO 5 -10.862 -4.133 3.294
35 HB3 PRO 5 1HB PRO 5 -11.866 -5.557 3.793
36 HG2 PRO 5 2HG PRO 5 -12.386 -4.314 1.427
37 HG3 PRO 5 1HG PRO 5 -13.796 -4.662 2.532
38 HD2 PRO 5 2HD PRO 5 -12.177 -2.067 2.435
39 HD3 PRO 5 1HD PRO 5 -13.966 -2.294 2.134
40 H ASN 6 H ASN 6 -10.673 -4.957 5.943
41 HA ASN 6 HA ASN 6 -9.186 -2.605 6.952
42 HB2 ASN 6 2HB ASN 6 -9.514 -5.386 8.279
43 HB3 ASN 6 1HB ASN 6 -8.415 -4.079 8.866
44 HD21 ASN 6 1HD2 ASN 6 -9.601 -1.846 9.148
45 HD22 ASN 6 2HD2 ASN 6 -11.158 -1.906 9.950
46 H PHE 7 H PHE 7 -8.802 -6.165 6.448
47 HA PHE 7 HA PHE 7 -6.099 -5.788 5.618
48 HB2 PHE 7 2HB PHE 7 -6.897 -7.753 7.038
49 HB3 PHE 7 1HB PHE 7 -7.816 -8.358 5.612
50 HD1 PHE 7 1HD PHE 7 -4.332 -7.180 6.567
51 HD2 PHE 7 2HD PHE 7 -6.699 -9.899 4.221
52 HE1 PHE 7 1HE PHE 7 -2.270 -8.255 5.728
53 HE2 PHE 7 2HE PHE 7 -4.634 -10.975 3.389
54 HZ PHE 7 HZ PHE 7 -2.416 -10.151 4.135
55 H GLY 8 H GLY 8 -9.168 -5.637 4.046
56 HA2 GLY 8 2HA GLY 8 -8.289 -6.672 1.513
57 HA3 GLY 8 1HA GLY 8 -9.838 -5.873 1.951
58 H HIS 9 H HIS 9 -7.301 -3.970 3.087
59 HA HIS 9 HA HIS 9 -7.069 -2.422 0.593
60 HB2 HIS 9 2HB HIS 9 -6.587 -1.574 3.517
61 HB3 HIS 9 1HB HIS 9 -6.305 -0.538 2.069
62 HD1 HIS 9 1HD HIS 9 -8.855 -0.704 0.486
63 HD2 HIS 9 2HD HIS 9 -8.871 -0.634 4.681
64 HE1 HIS 9 1HE HIS 9 -11.131 0.166 1.259
65 H ILE 10 H ILE 10 -5.528 -4.201 3.205
66 HA ILE 10 HA ILE 10 -2.917 -3.221 2.807
67 HB ILE 10 HB ILE 10 -4.015 -5.485 4.470
68 HG12 ILE 10 2HG1 ILE 10 -3.309 -2.507 4.844
69 HG13 ILE 10 1HG1 ILE 10 -4.894 -3.312 5.100
70 HG21 ILE 10 1HG2 ILE 10 -1.777 -5.404 5.632
71 HG22 ILE 10 2HG2 ILE 10 -1.176 -4.250 4.380
72 HG23 ILE 10 3HG2 ILE 10 -1.617 -5.947 3.944
73 HD11 ILE 10 3HD1 ILE 10 -3.907 -2.807 7.265
74 HD12 ILE 10 1HD1 ILE 10 -2.350 -3.581 6.788
75 HD13 ILE 10 2HD1 ILE 10 -3.830 -4.603 7.032
76 H GLN 11 H GLN 11 -4.734 -6.059 1.719
77 HA GLN 11 HA GLN 11 -2.398 -7.387 0.701
78 HB2 GLN 11 2HB GLN 11 -3.895 -9.101 -0.153
79 HB3 GLN 11 1HB GLN 11 -4.292 -8.691 1.548
80 HG2 GLN 11 2HG GLN 11 -6.189 -7.191 0.669
81 HG3 GLN 11 1HG GLN 11 -5.861 -7.835 -0.977
82 HE21 GLN 11 1HE2 GLN 11 -5.758 -10.340 -1.099
83 HE22 GLN 11 2HE2 GLN 11 -6.960 -11.225 -0.180
84 H VAL 12 H VAL 12 -4.699 -5.017 -0.462
85 HA VAL 12 HA VAL 12 -4.339 -5.578 -3.235
86 HB VAL 12 HB VAL 12 -5.706 -3.275 -1.760
87 HG11 VAL 12 1HG1 VAL 12 -5.143 -2.537 -4.067
88 HG12 VAL 12 2HG1 VAL 12 -6.894 -2.922 -3.978
89 HG13 VAL 12 3HG1 VAL 12 -5.760 -4.093 -4.748
90 HG21 VAL 12 3HG2 VAL 12 -7.792 -4.564 -2.391
91 HG22 VAL 12 1HG2 VAL 12 -6.739 -5.484 -1.265
92 HG23 VAL 12 2HG2 VAL 12 -6.759 -5.898 -3.022
93 H LYS 13 H LYS 13 -2.843 -3.542 -0.788
94 HA LYS 13 HA LYS 13 -1.870 -1.618 -2.628
95 HB2 LYS 13 2HB LYS 13 -0.903 -0.513 -0.774
96 HB3 LYS 13 1HB LYS 13 -2.462 -1.233 -0.172
97 HG2 LYS 13 2HG LYS 13 -1.176 -1.873 1.594
98 HG3 LYS 13 1HG LYS 13 -0.700 -3.216 0.494
99 HD2 LYS 13 2HD LYS 13 1.154 -1.651 -0.359
100 HD3 LYS 13 1HD LYS 13 0.796 -0.583 1.028
101 HE2 LYS 13 2HE LYS 13 1.693 -3.557 1.195
102 HE3 LYS 13 1HE LYS 13 2.721 -2.114 1.569
103 HZ1 LYS 13 3HZ LYS 13 0.242 -2.923 3.000
104 HZ2 LYS 13 1HZ LYS 13 1.205 -1.571 3.354
105 HZ3 LYS 13 2HZ LYS 13 1.838 -3.137 3.539
106 H VAL 14 H VAL 14 -0.765 -4.542 -1.617
107 HA VAL 14 HA VAL 14 1.968 -4.188 -2.069
108 HB VAL 14 HB VAL 14 0.137 -6.681 -2.465
109 HG11 VAL 14 1HG1 VAL 14 2.290 -7.096 -3.527
110 HG12 VAL 14 2HG1 VAL 14 2.202 -8.042 -1.999
111 HG13 VAL 14 3HG1 VAL 14 3.193 -6.531 -2.059
112 HG21 VAL 14 3HG2 VAL 14 -0.208 -5.757 -0.275
113 HG22 VAL 14 1HG2 VAL 14 1.571 -5.623 0.044
114 HG23 VAL 14 2HG2 VAL 14 0.783 -7.246 -0.098
115 H PHE 15 H PHE 15 -0.785 -4.811 -3.957
116 HA PHE 15 HA PHE 15 0.660 -5.540 -6.407
117 HB2 PHE 15 2HB PHE 15 -2.369 -5.205 -5.935
118 HB3 PHE 15 1HB PHE 15 -1.611 -5.806 -7.464
119 HD1 PHE 15 1HD PHE 15 0.317 -7.749 -6.858
120 HD2 PHE 15 2HD PHE 15 -3.293 -6.908 -4.678
121 HE1 PHE 15 1HE PHE 15 0.325 -10.045 -5.955
122 HE2 PHE 15 2HE PHE 15 -3.285 -9.212 -3.782
123 HZ PHE 15 HZ PHE 15 -1.473 -10.784 -4.414
124 H ASN 16 H ASN 16 -0.807 -2.768 -4.838
125 HA ASN 16 HA ASN 16 -0.976 -1.181 -7.186
126 HB2 ASN 16 2HB ASN 16 -2.331 -0.824 -5.018
127 HB3 ASN 16 1HB ASN 16 -0.824 -0.205 -4.267
128 HD21 ASN 16 1HD2 ASN 16 -2.917 0.212 -7.216
129 HD22 ASN 16 2HD2 ASN 16 -2.735 1.950 -7.332
130 H HIS 17 H HIS 17 1.525 -1.786 -4.593
131 HA HIS 17 HA HIS 17 3.199 0.069 -5.516
132 HB2 HIS 17 2HB HIS 17 4.828 -0.607 -4.022
133 HB3 HIS 17 1HB HIS 17 3.264 -0.998 -3.224
134 HD1 HIS 17 1HD HIS 17 5.606 -3.202 -5.433
135 HD2 HIS 17 2HD HIS 17 3.781 -3.061 -1.663
136 HE1 HIS 17 1HE HIS 17 6.254 -5.319 -4.158
137 H GLY 18 H GLY 18 4.993 -0.040 -7.006
138 HA2 GLY 18 2HA GLY 18 6.300 -1.000 -8.571
139 HA3 GLY 18 1HA GLY 18 5.311 -2.507 -8.540
140 H GLU 19 H GLU 19 2.936 -0.445 -8.522
141 HA GLU 19 HA GLU 19 1.471 0.354 -9.834
142 HB2 GLU 19 2HB GLU 19 3.718 1.180 -11.733
143 HB3 GLU 19 1HB GLU 19 2.023 1.761 -11.805
144 HG2 GLU 19 2HG GLU 19 4.010 2.230 -9.485
145 HG3 GLU 19 1HG GLU 19 3.519 3.428 -10.735
146 H HIS 20 H HIS 20 1.011 -2.029 -9.909
147 HA HIS 20 HA HIS 20 1.155 -3.097 -12.618
148 HB2 HIS 20 2HB HIS 20 0.071 -4.445 -10.088
149 HB3 HIS 20 1HB HIS 20 0.377 -5.207 -11.686
150 HD1 HIS 20 1HD HIS 20 3.213 -4.534 -12.356
151 HD2 HIS 20 2HD HIS 20 2.081 -5.107 -8.357
152 HE1 HIS 20 1HE HIS 20 5.315 -5.048 -10.997
153 H ILE 21 H ILE 21 -1.271 -2.920 -10.004
154 HA ILE 21 HA ILE 21 -3.290 -1.936 -11.847
155 HB ILE 21 HB ILE 21 -4.688 -1.914 -9.729
156 HG12 ILE 21 2HG1 ILE 21 -2.454 -3.699 -8.606
157 HG13 ILE 21 1HG1 ILE 21 -2.684 -1.974 -8.155
158 HG21 ILE 21 1HG2 ILE 21 -3.582 -4.608 -10.748
159 HG22 ILE 21 2HG2 ILE 21 -4.851 -3.602 -11.549
160 HG23 ILE 21 3HG2 ILE 21 -5.175 -4.342 -9.942
161 HD11 ILE 21 3HD1 ILE 21 -4.966 -2.469 -7.292
162 HD12 ILE 21 1HD1 ILE 21 -3.707 -3.444 -6.461
163 HD13 ILE 21 2HD1 ILE 21 -4.756 -4.214 -7.706
164 H HIS 22 H HIS 22 -4.452 0.056 -11.118
165 HA HIS 22 HA HIS 22 -2.617 1.979 -9.867
166 HB2 HIS 22 2HB HIS 22 -4.306 2.439 -12.400
167 HB3 HIS 22 1HB HIS 22 -3.198 3.625 -11.618
168 HD1 HIS 22 1HD HIS 22 -0.527 2.509 -11.524
169 HD2 HIS 22 2HD HIS 22 -3.168 1.033 -14.431
170 HE1 HIS 22 1HE HIS 22 0.847 1.308 -13.317
171 H HIS 23 H HIS 23 -5.851 1.182 -11.058
172 HA HIS 23 HA HIS 23 -7.880 1.653 -10.449
173 HB2 HIS 23 2HB HIS 23 -6.760 1.760 -7.608
174 HB3 HIS 23 1HB HIS 23 -8.507 1.698 -8.029
175 HD1 HIS 23 1HD HIS 23 -7.547 -0.559 -6.324
176 HD2 HIS 23 2HD HIS 23 -7.410 -0.775 -10.513
177 HE1 HIS 23 1HE HIS 23 -7.565 -3.023 -6.999
Start of MODEL 18
1 H1 PHE 1 1HT PHE 1 -12.696 0.421 -4.790
2 H2 PHE 1 2HT PHE 1 -13.231 0.966 -6.307
3 H3 PHE 1 3HT PHE 1 -12.423 -0.522 -6.176
4 HA PHE 1 HA PHE 1 -14.746 -0.821 -6.480
5 HB2 PHE 1 2HB PHE 1 -13.342 -2.445 -5.092
6 HB3 PHE 1 1HB PHE 1 -13.832 -1.561 -3.607
7 HD1 PHE 1 2HD PHE 1 -15.584 -2.987 -6.687
8 HD2 PHE 1 1HD PHE 1 -15.437 -2.731 -2.394
9 HE1 PHE 1 2HE PHE 1 -17.580 -4.431 -6.528
10 HE2 PHE 1 1HE PHE 1 -17.431 -4.181 -2.242
11 HZ PHE 1 HZ PHE 1 -18.511 -5.029 -4.308
12 H GLU 2 H GLU 2 -15.700 -0.747 -3.262
13 HA GLU 2 HA GLU 2 -16.987 1.886 -3.493
14 HB2 GLU 2 2HB GLU 2 -18.150 -0.772 -2.420
15 HB3 GLU 2 1HB GLU 2 -18.942 0.835 -2.270
16 HG2 GLU 2 2HG GLU 2 -18.314 -0.680 -4.896
17 HG3 GLU 2 1HG GLU 2 -19.920 -0.560 -4.093
18 H ASP 3 H ASP 3 -16.552 -0.861 -1.157
19 HA ASP 3 HA ASP 3 -14.942 0.734 0.569
20 HB2 ASP 3 2HB ASP 3 -17.665 -0.411 1.510
21 HB3 ASP 3 1HB ASP 3 -16.333 0.133 2.604
22 H LEU 4 H LEU 4 -13.392 -0.651 0.467
23 HA LEU 4 HA LEU 4 -13.830 -3.527 0.576
24 HB2 LEU 4 2HB LEU 4 -11.279 -1.800 0.369
25 HB3 LEU 4 1HB LEU 4 -11.241 -3.592 0.409
26 HG LEU 4 HG LEU 4 -12.661 -1.931 -1.747
27 HD11 LEU 4 1HD1 LEU 4 -10.744 -2.495 -3.226
28 HD12 LEU 4 2HD1 LEU 4 -9.907 -3.313 -1.852
29 HD13 LEU 4 3HD1 LEU 4 -10.207 -1.535 -1.797
30 HD21 LEU 4 3HD2 LEU 4 -12.678 -4.085 -3.041
31 HD22 LEU 4 1HD2 LEU 4 -13.631 -4.216 -1.522
32 HD23 LEU 4 2HD2 LEU 4 -11.982 -4.944 -1.617
33 HA PRO 5 HA PRO 5 -13.126 -3.643 4.868
34 HB2 PRO 5 2HB PRO 5 -11.465 -6.171 4.498
35 HB3 PRO 5 1HB PRO 5 -12.993 -5.950 5.446
36 HG2 PRO 5 2HG PRO 5 -13.082 -7.258 3.054
37 HG3 PRO 5 1HG PRO 5 -14.320 -5.954 3.361
38 HD2 PRO 5 2HD PRO 5 -11.636 -5.569 1.956
39 HD3 PRO 5 1HD PRO 5 -13.318 -5.285 1.296
40 H ASN 6 H ASN 6 -11.365 -4.267 6.564
41 HA ASN 6 HA ASN 6 -9.401 -2.248 6.306
42 HB2 ASN 6 2HB ASN 6 -9.706 -4.415 8.491
43 HB3 ASN 6 1HB ASN 6 -8.662 -2.949 8.614
44 HD21 ASN 6 1HD2 ASN 6 -11.714 -4.197 9.389
45 HD22 ASN 6 2HD2 ASN 6 -12.584 -2.695 9.626
46 H PHE 7 H PHE 7 -9.235 -5.837 6.506
47 HA PHE 7 HA PHE 7 -6.394 -5.892 6.101
48 HB2 PHE 7 2HB PHE 7 -8.515 -8.145 6.004
49 HB3 PHE 7 1HB PHE 7 -6.722 -8.389 6.026
50 HD1 PHE 7 1HD PHE 7 -5.408 -7.400 8.005
51 HD2 PHE 7 2HD PHE 7 -9.679 -7.893 8.053
52 HE1 PHE 7 1HE PHE 7 -5.398 -7.268 10.475
53 HE2 PHE 7 2HE PHE 7 -9.665 -7.760 10.524
54 HZ PHE 7 HZ PHE 7 -7.525 -7.444 11.739
55 H GLY 8 H GLY 8 -9.241 -5.663 4.121
56 HA2 GLY 8 2HA GLY 8 -7.984 -6.764 1.760
57 HA3 GLY 8 1HA GLY 8 -9.627 -6.084 1.976
58 H HIS 9 H HIS 9 -6.867 -4.307 3.194
59 HA HIS 9 HA HIS 9 -6.881 -2.524 0.855
60 HB2 HIS 9 2HB HIS 9 -6.236 -1.934 3.804
61 HB3 HIS 9 1HB HIS 9 -5.944 -0.780 2.454
62 HD1 HIS 9 1HD HIS 9 -8.017 -0.420 4.951
63 HD2 HIS 9 2HD HIS 9 -8.961 -1.229 0.943
64 HE1 HIS 9 1HE HIS 9 -10.379 0.444 4.497
65 H ILE 10 H ILE 10 -5.088 -4.490 3.172
66 HA ILE 10 HA ILE 10 -2.536 -3.490 2.382
67 HB ILE 10 HB ILE 10 -3.419 -5.782 4.224
68 HG12 ILE 10 2HG1 ILE 10 -2.090 -4.173 5.862
69 HG13 ILE 10 1HG1 ILE 10 -2.416 -2.915 4.622
70 HG21 ILE 10 1HG2 ILE 10 -0.557 -4.797 3.563
71 HG22 ILE 10 2HG2 ILE 10 -1.224 -6.451 3.267
72 HG23 ILE 10 3HG2 ILE 10 -0.986 -5.872 4.943
73 HD11 ILE 10 3HD1 ILE 10 -4.544 -4.628 6.088
74 HD12 ILE 10 1HD1 ILE 10 -4.885 -3.276 4.945
75 HD13 ILE 10 2HD1 ILE 10 -4.088 -2.939 6.518
76 H GLN 11 H GLN 11 -4.549 -6.313 1.733
77 HA GLN 11 HA GLN 11 -2.513 -7.593 0.133
78 HB2 GLN 11 2HB GLN 11 -4.169 -9.346 -0.295
79 HB3 GLN 11 1HB GLN 11 -4.066 -8.959 1.453
80 HG2 GLN 11 2HG GLN 11 -6.115 -7.482 1.220
81 HG3 GLN 11 1HG GLN 11 -6.294 -8.019 -0.487
82 HE21 GLN 11 1HE2 GLN 11 -6.204 -10.542 -0.753
83 HE22 GLN 11 2HE2 GLN 11 -7.133 -11.470 0.407
84 H VAL 12 H VAL 12 -4.026 -4.828 -0.491
85 HA VAL 12 HA VAL 12 -4.502 -5.410 -3.328
86 HB VAL 12 HB VAL 12 -5.720 -3.225 -1.559
87 HG11 VAL 12 1HG1 VAL 12 -6.080 -3.887 -4.565
88 HG12 VAL 12 2HG1 VAL 12 -5.376 -2.375 -3.875
89 HG13 VAL 12 3HG1 VAL 12 -7.115 -2.746 -3.625
90 HG21 VAL 12 3HG2 VAL 12 -7.867 -4.478 -2.049
91 HG22 VAL 12 1HG2 VAL 12 -6.712 -5.453 -1.079
92 HG23 VAL 12 2HG2 VAL 12 -6.908 -5.778 -2.843
93 H LYS 13 H LYS 13 -2.915 -3.471 -0.835
94 HA LYS 13 HA LYS 13 -1.990 -1.521 -2.701
95 HB2 LYS 13 2HB LYS 13 -1.066 -0.347 -0.837
96 HB3 LYS 13 1HB LYS 13 -2.670 -1.021 -0.310
97 HG2 LYS 13 2HG LYS 13 -1.467 -1.513 1.559
98 HG3 LYS 13 1HG LYS 13 -1.124 -2.997 0.605
99 HD2 LYS 13 2HD LYS 13 0.937 -1.764 -0.287
100 HD3 LYS 13 1HD LYS 13 0.632 -0.493 0.931
101 HE2 LYS 13 2HE LYS 13 0.888 -2.205 2.788
102 HE3 LYS 13 1HE LYS 13 1.166 -3.495 1.546
103 HZ1 LYS 13 3HZ LYS 13 3.110 -2.294 0.811
104 HZ2 LYS 13 1HZ LYS 13 3.210 -2.670 2.464
105 HZ3 LYS 13 2HZ LYS 13 2.852 -1.083 1.972
106 H VAL 14 H VAL 14 -0.820 -4.361 -1.504
107 HA VAL 14 HA VAL 14 1.885 -3.962 -2.002
108 HB VAL 14 HB VAL 14 0.841 -5.739 -0.670
109 HG11 VAL 14 1HG1 VAL 14 -0.283 -7.707 -1.527
110 HG12 VAL 14 2HG1 VAL 14 -0.128 -7.126 -3.217
111 HG13 VAL 14 3HG1 VAL 14 -1.174 -6.234 -2.044
112 HG21 VAL 14 3HG2 VAL 14 2.333 -7.637 -1.408
113 HG22 VAL 14 1HG2 VAL 14 3.175 -6.057 -1.680
114 HG23 VAL 14 2HG2 VAL 14 2.390 -6.920 -3.065
115 H PHE 15 H PHE 15 -0.756 -4.754 -3.809
116 HA PHE 15 HA PHE 15 0.599 -5.530 -6.296
117 HB2 PHE 15 2HB PHE 15 -2.410 -5.105 -5.763
118 HB3 PHE 15 1HB PHE 15 -1.737 -5.523 -7.383
119 HD1 PHE 15 1HD PHE 15 -0.141 -7.572 -7.505
120 HD2 PHE 15 2HD PHE 15 -2.958 -6.892 -4.342
121 HE1 PHE 15 1HE PHE 15 -0.116 -9.985 -6.970
122 HE2 PHE 15 2HE PHE 15 -2.921 -9.314 -3.790
123 HZ PHE 15 HZ PHE 15 -1.493 -10.859 -5.101
124 H ASN 16 H ASN 16 -0.714 -2.604 -4.865
125 HA ASN 16 HA ASN 16 -0.796 -1.110 -7.274
126 HB2 ASN 16 2HB ASN 16 -2.091 -0.506 -5.164
127 HB3 ASN 16 1HB ASN 16 -0.536 -0.111 -4.362
128 HD21 ASN 16 1HD2 ASN 16 -2.399 0.643 -7.401
129 HD22 ASN 16 2HD2 ASN 16 -1.981 2.345 -7.448
130 H HIS 17 H HIS 17 1.621 -1.496 -4.524
131 HA HIS 17 HA HIS 17 3.424 0.129 -5.639
132 HB2 HIS 17 2HB HIS 17 3.826 -2.078 -3.572
133 HB3 HIS 17 1HB HIS 17 5.034 -0.798 -3.954
134 HD1 HIS 17 1HD HIS 17 3.294 1.747 -3.936
135 HD2 HIS 17 2HD HIS 17 2.971 -1.318 -1.095
136 HE1 HIS 17 1HE HIS 17 2.299 2.746 -1.804
137 H GLY 18 H GLY 18 5.691 -0.496 -6.256
138 HA2 GLY 18 2HA GLY 18 5.864 -3.095 -7.635
139 HA3 GLY 18 1HA GLY 18 6.568 -1.530 -8.209
140 H GLU 19 H GLU 19 6.886 -1.089 -5.055
141 HA GLU 19 HA GLU 19 9.502 -2.382 -4.908
142 HB2 GLU 19 2HB GLU 19 10.019 -0.578 -3.191
143 HB3 GLU 19 1HB GLU 19 9.680 0.064 -4.829
144 HG2 GLU 19 2HG GLU 19 7.347 0.667 -4.182
145 HG3 GLU 19 1HG GLU 19 7.614 0.012 -2.525
146 H HIS 20 H HIS 20 7.487 -3.948 -4.586
147 HA HIS 20 HA HIS 20 7.897 -5.025 -1.995
148 HB2 HIS 20 2HB HIS 20 5.080 -3.994 -2.743
149 HB3 HIS 20 1HB HIS 20 5.332 -5.324 -1.558
150 HD1 HIS 20 1HD HIS 20 6.654 -4.686 0.687
151 HD2 HIS 20 2HD HIS 20 5.485 -1.402 -1.641
152 HE1 HIS 20 1HE HIS 20 6.801 -2.586 2.135
153 H ILE 21 H ILE 21 7.498 -7.297 -2.129
154 HA ILE 21 HA ILE 21 7.039 -8.262 -4.794
155 HB ILE 21 HB ILE 21 7.488 -10.487 -3.683
156 HG12 ILE 21 2HG1 ILE 21 8.387 -8.727 -1.313
157 HG13 ILE 21 1HG1 ILE 21 6.914 -9.757 -1.327
158 HG21 ILE 21 1HG2 ILE 21 9.102 -9.154 -5.043
159 HG22 ILE 21 2HG2 ILE 21 9.933 -10.068 -3.738
160 HG23 ILE 21 3HG2 ILE 21 9.658 -8.295 -3.555
161 HD11 ILE 21 3HD1 ILE 21 8.742 -10.927 -0.164
162 HD12 ILE 21 1HD1 ILE 21 9.822 -10.763 -1.595
163 HD13 ILE 21 2HD1 ILE 21 8.345 -11.795 -1.693
164 H HIS 22 H HIS 22 5.431 -9.772 -5.309
165 HA HIS 22 HA HIS 22 2.946 -9.285 -3.888
166 HB2 HIS 22 2HB HIS 22 3.555 -10.694 -6.551
167 HB3 HIS 22 1HB HIS 22 1.907 -10.380 -5.895
168 HD1 HIS 22 1HD HIS 22 2.384 -9.196 -8.586
169 HD2 HIS 22 2HD HIS 22 3.476 -7.090 -5.122
170 HE1 HIS 22 1HE HIS 22 2.522 -6.712 -9.166
171 H HIS 23 H HIS 23 5.233 -11.811 -4.791
172 HA HIS 23 HA HIS 23 3.697 -13.966 -3.696
173 HB2 HIS 23 2HB HIS 23 5.795 -15.311 -4.172
174 HB3 HIS 23 1HB HIS 23 5.139 -14.433 -5.590
175 HD1 HIS 23 1HD HIS 23 7.995 -13.978 -3.028
176 HD2 HIS 23 2HD HIS 23 6.854 -12.706 -6.858
177 HE1 HIS 23 1HE HIS 23 9.923 -12.628 -4.024
Start of MODEL 19
1 H1 PHE 1 1HT PHE 1 -23.749 2.541 7.552
2 H2 PHE 1 2HT PHE 1 -23.908 0.972 8.186
3 H3 PHE 1 3HT PHE 1 -24.753 1.408 6.779
4 HA PHE 1 HA PHE 1 -22.735 1.671 5.577
5 HB2 PHE 1 2HB PHE 1 -21.419 0.827 8.254
6 HB3 PHE 1 1HB PHE 1 -20.541 0.750 6.685
7 HD1 PHE 1 2HD PHE 1 -20.011 2.759 5.401
8 HD2 PHE 1 1HD PHE 1 -21.859 3.012 9.277
9 HE1 PHE 1 2HE PHE 1 -19.389 5.149 5.544
10 HE2 PHE 1 1HE PHE 1 -21.232 5.401 9.416
11 HZ PHE 1 HZ PHE 1 -19.998 6.475 7.551
12 H GLU 2 H GLU 2 -21.394 -0.158 4.693
13 HA GLU 2 HA GLU 2 -22.899 -2.640 4.787
14 HB2 GLU 2 2HB GLU 2 -20.483 -1.771 3.082
15 HB3 GLU 2 1HB GLU 2 -21.417 -3.293 2.871
16 HG2 GLU 2 2HG GLU 2 -22.474 -0.413 2.462
17 HG3 GLU 2 1HG GLU 2 -22.034 -1.585 1.170
18 H ASP 3 H ASP 3 -20.074 -1.097 6.041
19 HA ASP 3 HA ASP 3 -18.539 -1.603 7.414
20 HB2 ASP 3 2HB ASP 3 -19.457 -4.519 7.588
21 HB3 ASP 3 1HB ASP 3 -18.214 -3.722 8.621
22 H LEU 4 H LEU 4 -16.751 -1.214 6.374
23 HA LEU 4 HA LEU 4 -16.106 -2.822 4.056
24 HB2 LEU 4 2HB LEU 4 -14.897 -0.182 5.081
25 HB3 LEU 4 1HB LEU 4 -14.592 -0.917 3.471
26 HG LEU 4 HG LEU 4 -17.297 0.142 4.506
27 HD11 LEU 4 1HD1 LEU 4 -15.374 1.368 2.437
28 HD12 LEU 4 2HD1 LEU 4 -15.651 1.959 4.119
29 HD13 LEU 4 3HD1 LEU 4 -16.993 2.008 2.917
30 HD21 LEU 4 3HD2 LEU 4 -16.550 -0.912 1.702
31 HD22 LEU 4 1HD2 LEU 4 -18.098 -0.100 2.149
32 HD23 LEU 4 2HD2 LEU 4 -17.680 -1.691 2.874
33 HA PRO 5 HA PRO 5 -12.964 -4.844 6.179
34 HB2 PRO 5 2HB PRO 5 -11.144 -4.730 3.742
35 HB3 PRO 5 1HB PRO 5 -11.857 -6.185 4.548
36 HG2 PRO 5 2HG PRO 5 -12.830 -5.332 2.142
37 HG3 PRO 5 1HG PRO 5 -14.010 -5.783 3.454
38 HD2 PRO 5 2HD PRO 5 -12.909 -2.976 2.885
39 HD3 PRO 5 1HD PRO 5 -14.658 -3.519 2.861
40 H ASN 6 H ASN 6 -10.477 -5.033 6.468
41 HA ASN 6 HA ASN 6 -9.278 -2.352 6.795
42 HB2 ASN 6 2HB ASN 6 -9.061 -4.792 8.699
43 HB3 ASN 6 1HB ASN 6 -8.122 -3.260 8.858
44 HD21 ASN 6 1HD2 ASN 6 -10.944 -4.876 9.859
45 HD22 ASN 6 2HD2 ASN 6 -11.859 -3.500 10.440
46 H PHE 7 H PHE 7 -8.664 -5.905 6.780
47 HA PHE 7 HA PHE 7 -6.013 -5.518 5.745
48 HB2 PHE 7 2HB PHE 7 -7.606 -8.088 6.352
49 HB3 PHE 7 1HB PHE 7 -5.845 -8.017 5.936
50 HD1 PHE 7 1HD PHE 7 -4.374 -6.428 7.405
51 HD2 PHE 7 2HD PHE 7 -8.222 -7.912 8.622
52 HE1 PHE 7 1HE PHE 7 -3.810 -5.960 9.766
53 HE2 PHE 7 2HE PHE 7 -7.654 -7.443 10.983
54 HZ PHE 7 HZ PHE 7 -5.448 -6.465 11.560
55 H GLY 8 H GLY 8 -9.033 -5.458 4.321
56 HA2 GLY 8 2HA GLY 8 -8.321 -6.901 1.914
57 HA3 GLY 8 1HA GLY 8 -9.834 -6.020 2.323
58 H HIS 9 H HIS 9 -7.203 -4.061 3.173
59 HA HIS 9 HA HIS 9 -7.227 -2.627 0.622
60 HB2 HIS 9 2HB HIS 9 -7.998 -1.205 2.487
61 HB3 HIS 9 1HB HIS 9 -6.680 -1.824 3.534
62 HD1 HIS 9 1HD HIS 9 -7.018 0.426 0.397
63 HD2 HIS 9 2HD HIS 9 -4.312 -0.575 3.430
64 HE1 HIS 9 1HE HIS 9 -4.997 1.979 0.184
65 H ILE 10 H ILE 10 -5.399 -4.355 3.090
66 HA ILE 10 HA ILE 10 -2.843 -3.430 2.275
67 HB ILE 10 HB ILE 10 -3.850 -5.560 4.206
68 HG12 ILE 10 2HG1 ILE 10 -2.307 -4.145 5.734
69 HG13 ILE 10 1HG1 ILE 10 -2.223 -2.959 4.384
70 HG21 ILE 10 1HG2 ILE 10 -1.851 -6.641 3.220
71 HG22 ILE 10 2HG2 ILE 10 -1.444 -6.006 4.842
72 HG23 ILE 10 3HG2 ILE 10 -0.905 -5.107 3.377
73 HD11 ILE 10 3HD1 ILE 10 -3.871 -2.289 6.141
74 HD12 ILE 10 1HD1 ILE 10 -4.765 -3.830 5.914
75 HD13 ILE 10 2HD1 ILE 10 -4.722 -2.602 4.592
76 H GLN 11 H GLN 11 -4.841 -6.257 1.652
77 HA GLN 11 HA GLN 11 -2.814 -7.554 0.094
78 HB2 GLN 11 2HB GLN 11 -4.436 -9.293 -0.400
79 HB3 GLN 11 1HB GLN 11 -4.404 -8.867 1.329
80 HG2 GLN 11 2HG GLN 11 -6.680 -9.077 1.013
81 HG3 GLN 11 1HG GLN 11 -6.451 -7.301 0.843
82 HE21 GLN 11 1HE2 GLN 11 -6.091 -10.189 -1.375
83 HE22 GLN 11 2HE2 GLN 11 -7.121 -9.557 -2.644
84 H VAL 12 H VAL 12 -4.403 -4.771 -0.634
85 HA VAL 12 HA VAL 12 -4.546 -5.348 -3.505
86 HB VAL 12 HB VAL 12 -5.549 -2.893 -1.972
87 HG11 VAL 12 1HG1 VAL 12 -4.955 -2.341 -4.329
88 HG12 VAL 12 2HG1 VAL 12 -6.741 -2.436 -4.172
89 HG13 VAL 12 3HG1 VAL 12 -5.831 -3.802 -4.921
90 HG21 VAL 12 3HG2 VAL 12 -7.067 -5.333 -3.108
91 HG22 VAL 12 1HG2 VAL 12 -7.828 -3.837 -2.448
92 HG23 VAL 12 2HG2 VAL 12 -6.872 -4.905 -1.365
93 H LYS 13 H LYS 13 -3.031 -3.433 -0.942
94 HA LYS 13 HA LYS 13 -1.930 -1.561 -2.750
95 HB2 LYS 13 2HB LYS 13 -1.106 -0.370 -0.884
96 HB3 LYS 13 1HB LYS 13 -2.749 -1.029 -0.458
97 HG2 LYS 13 2HG LYS 13 -1.661 -1.432 1.506
98 HG3 LYS 13 1HG LYS 13 -1.309 -2.971 0.648
99 HD2 LYS 13 2HD LYS 13 0.863 -1.929 -0.133
100 HD3 LYS 13 1HD LYS 13 0.506 -0.499 0.875
101 HE2 LYS 13 2HE LYS 13 0.522 -1.942 2.957
102 HE3 LYS 13 1HE LYS 13 0.838 -3.406 1.938
103 HZ1 LYS 13 3HZ LYS 13 2.607 -1.031 2.191
104 HZ2 LYS 13 1HZ LYS 13 2.899 -2.399 1.228
105 HZ3 LYS 13 2HZ LYS 13 2.835 -2.549 2.918
106 H VAL 14 H VAL 14 -0.754 -4.388 -1.510
107 HA VAL 14 HA VAL 14 1.971 -3.906 -1.893
108 HB VAL 14 HB VAL 14 2.074 -6.459 -1.990
109 HG11 VAL 14 1HG1 VAL 14 0.324 -5.129 0.149
110 HG12 VAL 14 2HG1 VAL 14 2.127 -5.052 0.113
111 HG13 VAL 14 3HG1 VAL 14 1.287 -6.636 0.416
112 HG21 VAL 14 3HG2 VAL 14 0.008 -7.756 -1.434
113 HG22 VAL 14 1HG2 VAL 14 -0.079 -7.035 -3.069
114 HG23 VAL 14 2HG2 VAL 14 -1.007 -6.304 -1.705
115 H PHE 15 H PHE 15 -0.563 -4.752 -3.756
116 HA PHE 15 HA PHE 15 0.934 -5.515 -6.195
117 HB2 PHE 15 2HB PHE 15 -2.124 -5.233 -5.864
118 HB3 PHE 15 1HB PHE 15 -1.294 -5.753 -7.378
119 HD1 PHE 15 2HD PHE 15 0.577 -7.687 -6.943
120 HD2 PHE 15 1HD PHE 15 -2.950 -6.987 -4.593
121 HE1 PHE 15 2HE PHE 15 0.616 -10.037 -6.190
122 HE2 PHE 15 1HE PHE 15 -2.908 -9.349 -3.836
123 HZ PHE 15 HZ PHE 15 -1.122 -10.873 -4.628
124 H ASN 16 H ASN 16 -0.621 -2.680 -4.825
125 HA ASN 16 HA ASN 16 -0.749 -1.195 -7.235
126 HB2 ASN 16 2HB ASN 16 -2.138 -0.703 -5.165
127 HB3 ASN 16 1HB ASN 16 -0.643 -0.196 -4.314
128 HD21 ASN 16 1HD2 ASN 16 -0.132 1.961 -4.453
129 HD22 ASN 16 2HD2 ASN 16 -0.755 3.093 -5.637
130 H HIS 17 H HIS 17 1.622 -1.543 -4.487
131 HA HIS 17 HA HIS 17 3.449 0.166 -5.346
132 HB2 HIS 17 2HB HIS 17 3.771 -2.416 -3.740
133 HB3 HIS 17 1HB HIS 17 5.055 -1.161 -3.894
134 HD1 HIS 17 1HD HIS 17 4.179 -1.725 -1.096
135 HD2 HIS 17 2HD HIS 17 2.192 1.132 -3.445
136 HE1 HIS 17 1HE HIS 17 3.001 -0.079 0.465
137 H GLY 18 H GLY 18 3.100 -3.316 -5.847
138 HA2 GLY 18 2HA GLY 18 3.375 -4.328 -7.897
139 HA3 GLY 18 1HA GLY 18 4.715 -3.183 -8.304
140 H GLU 19 H GLU 19 3.822 -6.213 -6.834
141 HA GLU 19 HA GLU 19 6.522 -6.592 -5.752
142 HB2 GLU 19 2HB GLU 19 5.560 -8.705 -4.774
143 HB3 GLU 19 1HB GLU 19 4.928 -7.176 -4.094
144 HG2 GLU 19 2HG GLU 19 2.819 -7.348 -5.310
145 HG3 GLU 19 1HG GLU 19 3.391 -8.779 -6.241
146 H HIS 20 H HIS 20 7.029 -6.380 -8.192
147 HA HIS 20 HA HIS 20 6.427 -8.690 -9.780
148 HB2 HIS 20 2HB HIS 20 6.601 -6.408 -10.780
149 HB3 HIS 20 1HB HIS 20 8.324 -6.325 -10.313
150 HD1 HIS 20 1HD HIS 20 9.877 -8.268 -11.626
151 HD2 HIS 20 2HD HIS 20 6.044 -7.583 -13.191
152 HE1 HIS 20 1HE HIS 20 9.801 -9.231 -13.991
153 H ILE 21 H ILE 21 9.470 -7.103 -8.824
154 HA ILE 21 HA ILE 21 10.876 -9.610 -8.696
155 HB ILE 21 HB ILE 21 12.788 -8.103 -8.015
156 HG12 ILE 21 2HG1 ILE 21 10.858 -5.832 -8.808
157 HG13 ILE 21 1HG1 ILE 21 11.349 -6.214 -7.122
158 HG21 ILE 21 1HG2 ILE 21 12.368 -8.995 -10.314
159 HG22 ILE 21 2HG2 ILE 21 13.163 -7.382 -10.347
160 HG23 ILE 21 3HG2 ILE 21 11.402 -7.522 -10.708
161 HD11 ILE 21 3HD1 ILE 21 13.755 -5.791 -7.729
162 HD12 ILE 21 1HD1 ILE 21 12.704 -4.349 -7.984
163 HD13 ILE 21 2HD1 ILE 21 13.241 -5.328 -9.396
164 H HIS 22 H HIS 22 12.107 -10.175 -6.761
165 HA HIS 22 HA HIS 22 11.067 -9.094 -4.251
166 HB2 HIS 22 2HB HIS 22 11.258 -12.105 -4.918
167 HB3 HIS 22 1HB HIS 22 10.936 -11.405 -3.288
168 HD1 HIS 22 1HD HIS 22 9.242 -11.712 -6.731
169 HD2 HIS 22 2HD HIS 22 8.299 -10.687 -2.774
170 HE1 HIS 22 1HE HIS 22 6.707 -11.459 -6.561
171 H HIS 23 H HIS 23 13.190 -8.073 -5.164
172 HA HIS 23 HA HIS 23 15.296 -7.761 -5.157
173 HB2 HIS 23 2HB HIS 23 16.580 -8.151 -3.044
174 HB3 HIS 23 1HB HIS 23 15.007 -7.318 -2.869
175 HD1 HIS 23 1HD HIS 23 16.502 -10.791 -2.148
176 HD2 HIS 23 2HD HIS 23 13.154 -8.451 -1.197
177 HE1 HIS 23 1HE HIS 23 15.197 -11.983 -0.302
Start of MODEL 20
1 H1 PHE 1 1HT PHE 1 -17.370 3.611 -0.740
2 H2 PHE 1 2HT PHE 1 -17.492 4.232 0.837
3 H3 PHE 1 3HT PHE 1 -18.610 3.074 0.290
4 HA PHE 1 HA PHE 1 -15.737 2.679 0.643
5 HB2 PHE 1 2HB PHE 1 -17.260 2.893 2.792
6 HB3 PHE 1 1HB PHE 1 -18.016 1.342 2.269
7 HD1 PHE 1 1HD PHE 1 -14.374 2.520 2.351
8 HD2 PHE 1 2HD PHE 1 -17.353 -0.216 3.820
9 HE1 PHE 1 1HE PHE 1 -12.647 1.321 3.630
10 HE2 PHE 1 2HE PHE 1 -15.615 -1.413 5.101
11 HZ PHE 1 HZ PHE 1 -13.256 -0.652 5.007
12 H GLU 2 H GLU 2 -18.887 1.305 -0.208
13 HA GLU 2 HA GLU 2 -19.589 -0.246 -1.401
14 HB2 GLU 2 2HB GLU 2 -17.322 0.359 -2.808
15 HB3 GLU 2 1HB GLU 2 -17.095 -1.404 -2.553
16 HG2 GLU 2 2HG GLU 2 -19.449 -1.760 -3.496
17 HG3 GLU 2 1HG GLU 2 -19.605 0.033 -3.641
18 H ASP 3 H ASP 3 -17.672 -0.739 1.159
19 HA ASP 3 HA ASP 3 -17.559 -2.166 2.728
20 HB2 ASP 3 2HB ASP 3 -19.552 -4.019 1.345
21 HB3 ASP 3 1HB ASP 3 -18.948 -4.138 3.042
22 H LEU 4 H LEU 4 -15.548 -2.676 2.741
23 HA LEU 4 HA LEU 4 -14.847 -5.285 1.743
24 HB2 LEU 4 2HB LEU 4 -12.892 -4.796 0.555
25 HB3 LEU 4 1HB LEU 4 -14.167 -3.779 -0.171
26 HG LEU 4 HG LEU 4 -12.241 -2.811 1.982
27 HD11 LEU 4 1HD1 LEU 4 -11.827 -2.626 -1.070
28 HD12 LEU 4 2HD1 LEU 4 -10.900 -3.665 0.077
29 HD13 LEU 4 3HD1 LEU 4 -10.775 -1.869 0.185
30 HD21 LEU 4 3HD2 LEU 4 -12.685 -0.509 1.041
31 HD22 LEU 4 1HD2 LEU 4 -14.184 -1.283 1.658
32 HD23 LEU 4 2HD2 LEU 4 -13.864 -1.228 -0.116
33 HA PRO 5 HA PRO 5 -13.138 -5.341 5.640
34 HB2 PRO 5 2HB PRO 5 -10.799 -7.042 4.670
35 HB3 PRO 5 1HB PRO 5 -12.062 -7.449 5.903
36 HG2 PRO 5 2HG PRO 5 -12.187 -8.579 3.426
37 HG3 PRO 5 1HG PRO 5 -13.712 -7.866 4.128
38 HD2 PRO 5 2HD PRO 5 -11.722 -6.434 2.292
39 HD3 PRO 5 1HD PRO 5 -13.501 -6.745 2.001
40 H ASN 6 H ASN 6 -10.972 -5.401 6.922
41 HA ASN 6 HA ASN 6 -9.711 -2.871 6.469
42 HB2 ASN 6 2HB ASN 6 -10.387 -3.709 8.781
43 HB3 ASN 6 1HB ASN 6 -9.137 -4.990 8.646
44 HD21 ASN 6 1HD2 ASN 6 -9.498 -1.378 8.271
45 HD22 ASN 6 2HD2 ASN 6 -7.987 -0.963 9.053
46 H PHE 7 H PHE 7 -8.843 -6.349 6.376
47 HA PHE 7 HA PHE 7 -6.124 -5.868 5.681
48 HB2 PHE 7 2HB PHE 7 -6.924 -7.916 6.977
49 HB3 PHE 7 1HB PHE 7 -7.778 -8.472 5.493
50 HD1 PHE 7 1HD PHE 7 -4.345 -7.202 6.533
51 HD2 PHE 7 2HD PHE 7 -6.591 -10.018 4.185
52 HE1 PHE 7 1HE PHE 7 -2.239 -8.203 5.717
53 HE2 PHE 7 2HE PHE 7 -4.482 -11.021 3.374
54 HZ PHE 7 HZ PHE 7 -2.301 -10.112 4.133
55 H GLY 8 H GLY 8 -9.136 -5.779 3.988
56 HA2 GLY 8 2HA GLY 8 -8.147 -6.604 1.432
57 HA3 GLY 8 1HA GLY 8 -9.710 -5.825 1.866
58 H HIS 9 H HIS 9 -7.446 -3.903 3.293
59 HA HIS 9 HA HIS 9 -7.243 -2.089 1.006
60 HB2 HIS 9 2HB HIS 9 -6.481 -1.621 3.954
61 HB3 HIS 9 1HB HIS 9 -6.560 -0.386 2.647
62 HD1 HIS 9 1HD HIS 9 -9.398 -0.893 1.509
63 HD2 HIS 9 2HD HIS 9 -8.528 -0.978 5.612
64 HE1 HIS 9 1HE HIS 9 -11.562 -0.446 2.791
65 H ILE 10 H ILE 10 -5.521 -4.086 3.333
66 HA ILE 10 HA ILE 10 -2.968 -3.005 2.973
67 HB ILE 10 HB ILE 10 -3.820 -5.579 4.294
68 HG12 ILE 10 2HG1 ILE 10 -3.561 -2.624 5.096
69 HG13 ILE 10 1HG1 ILE 10 -4.963 -3.730 5.303
70 HG21 ILE 10 1HG2 ILE 10 -1.176 -3.967 4.409
71 HG22 ILE 10 2HG2 ILE 10 -1.380 -5.598 3.666
72 HG23 ILE 10 3HG2 ILE 10 -1.581 -5.403 5.424
73 HD11 ILE 10 3HD1 ILE 10 -3.930 -3.333 7.475
74 HD12 ILE 10 1HD1 ILE 10 -2.301 -3.755 6.829
75 HD13 ILE 10 2HD1 ILE 10 -3.567 -5.041 6.998
76 H GLN 11 H GLN 11 -4.554 -5.983 1.858
77 HA GLN 11 HA GLN 11 -2.198 -7.047 0.715
78 HB2 GLN 11 2HB GLN 11 -3.532 -8.936 0.000
79 HB3 GLN 11 1HB GLN 11 -3.976 -8.465 1.673
80 HG2 GLN 11 2HG GLN 11 -6.000 -7.208 0.706
81 HG3 GLN 11 1HG GLN 11 -5.590 -7.898 -0.904
82 HE21 GLN 11 1HE2 GLN 11 -7.531 -8.393 1.775
83 HE22 GLN 11 2HE2 GLN 11 -7.764 -10.127 1.665
84 H VAL 12 H VAL 12 -4.686 -4.921 -0.522
85 HA VAL 12 HA VAL 12 -4.361 -5.634 -3.267
86 HB VAL 12 HB VAL 12 -5.829 -3.372 -1.826
87 HG11 VAL 12 1HG1 VAL 12 -7.059 -3.080 -4.029
88 HG12 VAL 12 2HG1 VAL 12 -5.861 -4.171 -4.819
89 HG13 VAL 12 3HG1 VAL 12 -5.336 -2.585 -4.125
90 HG21 VAL 12 3HG2 VAL 12 -6.711 -5.656 -1.342
91 HG22 VAL 12 1HG2 VAL 12 -6.741 -6.042 -3.103
92 HG23 VAL 12 2HG2 VAL 12 -7.840 -4.781 -2.432
93 H LYS 13 H LYS 13 -2.827 -3.444 -0.971
94 HA LYS 13 HA LYS 13 -1.996 -1.581 -2.904
95 HB2 LYS 13 2HB LYS 13 -2.748 -0.933 -0.610
96 HB3 LYS 13 1HB LYS 13 -1.745 -2.242 0.099
97 HG2 LYS 13 2HG LYS 13 -0.838 -0.131 0.671
98 HG3 LYS 13 1HG LYS 13 0.282 -1.105 -0.354
99 HD2 LYS 13 2HD LYS 13 -0.077 0.339 -2.269
100 HD3 LYS 13 1HD LYS 13 -1.600 0.994 -1.587
101 HE2 LYS 13 2HE LYS 13 0.181 2.733 -1.541
102 HE3 LYS 13 1HE LYS 13 -0.343 2.294 0.135
103 HZ1 LYS 13 3HZ LYS 13 2.028 2.481 -0.056
104 HZ2 LYS 13 1HZ LYS 13 2.078 1.286 -1.263
105 HZ3 LYS 13 2HZ LYS 13 1.587 0.882 0.311
106 H VAL 14 H VAL 14 -0.824 -4.420 -1.506
107 HA VAL 14 HA VAL 14 1.921 -4.276 -2.022
108 HB VAL 14 HB VAL 14 -0.018 -6.670 -2.328
109 HG11 VAL 14 1HG1 VAL 14 2.114 -7.208 -3.345
110 HG12 VAL 14 2HG1 VAL 14 2.027 -8.051 -1.760
111 HG13 VAL 14 3HG1 VAL 14 3.041 -6.561 -1.928
112 HG21 VAL 14 3HG2 VAL 14 -0.356 -5.663 -0.180
113 HG22 VAL 14 1HG2 VAL 14 1.421 -5.544 0.149
114 HG23 VAL 14 2HG2 VAL 14 0.606 -7.159 0.068
115 H PHE 15 H PHE 15 -0.881 -4.861 -3.912
116 HA PHE 15 HA PHE 15 0.599 -5.698 -6.301
117 HB2 PHE 15 2HB PHE 15 -2.417 -5.371 -5.791
118 HB3 PHE 15 1HB PHE 15 -1.712 -5.940 -7.361
119 HD1 PHE 15 1HD PHE 15 0.205 -7.873 -6.962
120 HD2 PHE 15 2HD PHE 15 -3.172 -7.083 -4.424
121 HE1 PHE 15 1HE PHE 15 0.326 -10.176 -6.082
122 HE2 PHE 15 2HE PHE 15 -3.054 -9.393 -3.549
123 HZ PHE 15 HZ PHE 15 -1.300 -10.944 -4.372
124 H ASN 16 H ASN 16 -0.470 -2.773 -4.862
125 HA ASN 16 HA ASN 16 -0.682 -1.303 -7.318
126 HB2 ASN 16 2HB ASN 16 -1.957 -0.683 -5.205
127 HB3 ASN 16 1HB ASN 16 -0.393 -0.277 -4.427
128 HD21 ASN 16 1HD2 ASN 16 0.176 1.854 -4.554
129 HD22 ASN 16 2HD2 ASN 16 -0.374 3.003 -5.757
130 H HIS 17 H HIS 17 1.842 -2.214 -4.883
131 HA HIS 17 HA HIS 17 3.701 -0.452 -5.488
132 HB2 HIS 17 2HB HIS 17 4.132 -3.383 -4.733
133 HB3 HIS 17 1HB HIS 17 5.390 -2.105 -4.620
134 HD1 HIS 17 1HD HIS 17 4.631 -3.692 -2.141
135 HD2 HIS 17 2HD HIS 17 2.894 0.002 -3.114
136 HE1 HIS 17 1HE HIS 17 3.790 -2.615 0.017
137 H GLY 18 H GLY 18 5.921 -0.959 -6.521
138 HA2 GLY 18 2HA GLY 18 5.579 -2.195 -9.161
139 HA3 GLY 18 1HA GLY 18 6.800 -0.966 -8.627
140 H GLU 19 H GLU 19 5.572 -4.216 -7.820
141 HA GLU 19 HA GLU 19 8.139 -5.010 -6.719
142 HB2 GLU 19 2HB GLU 19 6.828 -7.066 -5.983
143 HB3 GLU 19 1HB GLU 19 6.316 -5.507 -5.262
144 HG2 GLU 19 2HG GLU 19 4.368 -5.330 -6.762
145 HG3 GLU 19 1HG GLU 19 4.865 -6.815 -7.652
146 H HIS 20 H HIS 20 8.802 -4.669 -9.116
147 HA HIS 20 HA HIS 20 8.250 -7.001 -10.775
148 HB2 HIS 20 2HB HIS 20 9.960 -4.507 -11.341
149 HB3 HIS 20 1HB HIS 20 9.588 -5.823 -12.512
150 HD1 HIS 20 1HD HIS 20 7.764 -3.027 -10.594
151 HD2 HIS 20 2HD HIS 20 7.179 -5.595 -13.860
152 HE1 HIS 20 1HE HIS 20 5.624 -2.314 -11.792
153 H ILE 21 H ILE 21 10.220 -8.056 -11.844
154 HA ILE 21 HA ILE 21 12.127 -8.721 -9.801
155 HB ILE 21 HB ILE 21 12.811 -10.450 -11.483
156 HG12 ILE 21 2HG1 ILE 21 10.354 -9.478 -13.075
157 HG13 ILE 21 1HG1 ILE 21 12.056 -9.133 -13.533
158 HG21 ILE 21 1HG2 ILE 21 10.824 -11.850 -11.049
159 HG22 ILE 21 2HG2 ILE 21 9.825 -10.389 -10.709
160 HG23 ILE 21 3HG2 ILE 21 11.191 -10.830 -9.616
161 HD11 ILE 21 3HD1 ILE 21 11.227 -11.051 -14.827
162 HD12 ILE 21 1HD1 ILE 21 10.780 -11.936 -13.322
163 HD13 ILE 21 2HD1 ILE 21 12.516 -11.603 -13.693
164 H HIS 22 H HIS 22 14.422 -9.172 -10.751
165 HA HIS 22 HA HIS 22 15.414 -6.683 -11.824
166 HB2 HIS 22 2HB HIS 22 17.676 -7.707 -11.389
167 HB3 HIS 22 1HB HIS 22 16.626 -7.608 -9.942
168 HD1 HIS 22 1HD HIS 22 18.163 -10.215 -12.250
169 HD2 HIS 22 2HD HIS 22 15.750 -10.044 -8.822
170 HE1 HIS 22 1HE HIS 22 18.015 -12.567 -11.265
171 H HIS 23 H HIS 23 14.859 -10.034 -12.742
172 HA HIS 23 HA HIS 23 14.881 -11.131 -14.582
173 HB2 HIS 23 2HB HIS 23 13.414 -9.270 -15.395
174 HB3 HIS 23 1HB HIS 23 14.855 -8.484 -16.115
175 HD1 HIS 23 1HD HIS 23 13.152 -11.966 -16.317
176 HD2 HIS 23 2HD HIS 23 15.176 -9.220 -18.760
177 HE1 HIS 23 1HE HIS 23 13.167 -12.884 -18.703