NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
583805 |
2ruo   |
11582 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 2HA GLY 1 1.402 0.268 -2.051
3 HA3 GLY 1 3HA GLY 1 2.856 0.741 -1.185
4 H ALA 2 H ALA 2 3.694 -1.318 0.177
5 HA ALA 2 HA ALA 2 4.014 -3.449 -1.830
6 HB1 ALA 2 1HB ALA 2 6.205 -3.651 -1.276
7 HB2 ALA 2 2HB ALA 2 5.981 -1.961 -0.825
8 HB3 ALA 2 3HB ALA 2 5.935 -3.216 0.412
9 H ALA 3 H ALA 3 1.877 -3.189 0.227
10 HA ALA 3 HA ALA 3 2.466 -5.328 2.105
11 HB1 ALA 3 1HB ALA 3 0.081 -4.869 2.848
12 HB2 ALA 3 2HB ALA 3 1.247 -3.564 3.069
13 HB3 ALA 3 3HB ALA 3 0.106 -3.509 1.725
14 H LEU 4 H LEU 4 0.842 -4.857 -0.916
15 HA LEU 4 HA LEU 4 -0.598 -7.377 -0.737
16 HB2 LEU 4 2HB LEU 4 -0.487 -5.136 -2.709
17 HB3 LEU 4 3HB LEU 4 -1.129 -6.702 -3.199
18 HG LEU 4 HG LEU 4 -2.212 -5.182 -0.839
19 HD11 LEU 4 1HD1 LEU 4 -3.355 -5.135 -3.620
20 HD12 LEU 4 2HD1 LEU 4 -2.321 -3.858 -2.981
21 HD13 LEU 4 3HD1 LEU 4 -3.870 -4.205 -2.213
22 HD21 LEU 4 3HD2 LEU 4 -4.081 -6.803 -2.268
23 HD22 LEU 4 1HD2 LEU 4 -3.532 -6.947 -0.598
24 HD23 LEU 4 2HD2 LEU 4 -2.649 -7.761 -1.890
25 H GLN 5 H GLN 5 2.436 -6.256 -1.761
26 HA GLN 5 HA GLN 5 2.901 -8.129 -3.864
27 HB2 GLN 5 2HB GLN 5 4.261 -5.922 -2.731
28 HB3 GLN 5 3HB GLN 5 5.341 -7.304 -2.599
29 HG2 GLN 5 2HG GLN 5 5.857 -6.302 -4.648
30 HG3 GLN 5 3HG GLN 5 4.888 -7.718 -5.053
31 HE21 GLN 5 1HE2 GLN 5 5.379 -5.206 -6.518
32 HE22 GLN 5 2HE2 GLN 5 3.815 -4.554 -6.852
33 H ILE 6 H ILE 6 2.859 -8.348 -0.466
34 HA ILE 6 HA ILE 6 4.721 -10.532 -0.240
35 HB ILE 6 HB ILE 6 2.927 -9.074 1.632
36 HG12 ILE 6 2HG1 ILE 6 5.128 -9.358 3.004
37 HG13 ILE 6 3HG1 ILE 6 5.823 -9.851 1.464
38 HG21 ILE 6 1HG2 ILE 6 3.590 -10.855 3.376
39 HG22 ILE 6 2HG2 ILE 6 2.233 -11.187 2.302
40 HG23 ILE 6 3HG2 ILE 6 3.807 -11.914 1.983
41 HD11 ILE 6 3HD1 ILE 6 4.438 -7.504 0.909
42 HD12 ILE 6 1HD1 ILE 6 5.239 -7.218 2.454
43 HD13 ILE 6 2HD1 ILE 6 6.184 -7.710 1.049
44 HA PRO 7 HA PRO 7 0.658 -13.076 0.377
45 HB2 PRO 7 2HB PRO 7 -1.687 -11.835 -0.201
46 HB3 PRO 7 3HB PRO 7 -0.953 -11.801 1.407
47 HG2 PRO 7 2HG PRO 7 -0.880 -9.730 -0.754
48 HG3 PRO 7 3HG PRO 7 -1.124 -9.520 0.990
49 HD2 PRO 7 2HD PRO 7 1.259 -9.065 -0.213
50 HD3 PRO 7 3HD PRO 7 1.129 -9.670 1.451
51 H PHE 8 H PHE 8 1.176 -10.890 -2.237
52 HA PHE 8 HA PHE 8 -0.447 -12.126 -4.196
53 HB2 PHE 8 2HB PHE 8 0.353 -9.897 -4.588
54 HB3 PHE 8 3HB PHE 8 2.029 -10.411 -4.428
55 HD1 PHE 8 HD2 PHE 8 -0.793 -11.874 -6.366
56 HD2 PHE 8 HD1 PHE 8 3.044 -10.035 -6.463
57 HE1 PHE 8 HE2 PHE 8 -0.680 -12.246 -8.795
58 HE2 PHE 8 HE1 PHE 8 3.163 -10.403 -8.893
59 HZ PHE 8 HZ PHE 8 1.300 -11.511 -10.062
60 H ALA 9 H ALA 9 2.789 -12.748 -3.016
61 HA ALA 9 HA ALA 9 3.535 -14.536 -5.114
62 HB1 ALA 9 1HB ALA 9 5.159 -13.312 -3.692
63 HB2 ALA 9 2HB ALA 9 4.697 -14.346 -2.340
64 HB3 ALA 9 3HB ALA 9 5.457 -15.049 -3.768
65 H MET 10 H MET 10 2.040 -14.897 -1.948
66 HA MET 10 HA MET 10 2.146 -17.776 -2.019
67 HB2 MET 10 2HB MET 10 2.138 -16.259 0.066
68 HB3 MET 10 3HB MET 10 0.402 -16.147 -0.189
69 HG2 MET 10 2HG MET 10 0.866 -18.849 -0.320
70 HG3 MET 10 3HG MET 10 1.995 -18.309 0.920
71 HE1 MET 10 3HE MET 10 -0.152 -16.196 3.143
72 HE2 MET 10 1HE MET 10 0.626 -17.650 3.770
73 HE3 MET 10 2HE MET 10 1.447 -16.662 2.562
74 H GLN 11 H GLN 11 -0.149 -15.265 -2.826
75 HA GLN 11 HA GLN 11 -2.471 -16.846 -2.974
76 HB2 GLN 11 2HB GLN 11 -2.615 -14.431 -2.948
77 HB3 GLN 11 3HB GLN 11 -1.714 -14.324 -4.455
78 HG2 GLN 11 2HG GLN 11 -4.084 -15.983 -4.691
79 HG3 GLN 11 3HG GLN 11 -4.452 -14.336 -4.182
80 HE21 GLN 11 1HE2 GLN 11 -3.747 -16.352 -6.774
81 HE22 GLN 11 2HE2 GLN 11 -3.513 -15.141 -7.983
82 H MET 12 H MET 12 0.232 -16.475 -5.111
83 HA MET 12 HA MET 12 -1.151 -17.767 -7.325
84 HB2 MET 12 2HB MET 12 1.538 -16.481 -6.987
85 HB3 MET 12 3HB MET 12 1.232 -17.544 -8.354
86 HG2 MET 12 2HG MET 12 -0.870 -16.012 -8.671
87 HG3 MET 12 3HG MET 12 0.092 -14.869 -7.737
88 HE1 MET 12 3HE MET 12 -0.287 -15.544 -11.833
89 HE2 MET 12 1HE MET 12 0.837 -16.887 -11.624
90 HE3 MET 12 2HE MET 12 -0.623 -16.798 -10.639
91 H ALA 13 H ALA 13 1.167 -18.484 -4.824
92 HA ALA 13 HA ALA 13 2.361 -20.786 -5.798
93 HB1 ALA 13 1HB ALA 13 2.267 -19.434 -3.354
94 HB2 ALA 13 2HB ALA 13 1.762 -21.087 -3.000
95 HB3 ALA 13 3HB ALA 13 3.310 -20.788 -3.791
96 H TYR 14 H TYR 14 -0.780 -20.386 -4.233
97 HA TYR 14 HA TYR 14 -1.317 -23.244 -4.444
98 HB2 TYR 14 2HB TYR 14 -2.938 -22.947 -2.869
99 HB3 TYR 14 3HB TYR 14 -1.985 -21.513 -2.508
100 HD1 TYR 14 HD1 TYR 14 -2.678 -19.334 -3.753
101 HD2 TYR 14 HD2 TYR 14 -5.204 -22.732 -3.330
102 HE1 TYR 14 HE1 TYR 14 -4.645 -17.917 -4.171
103 HE2 TYR 14 HE2 TYR 14 -7.177 -21.324 -3.748
104 HH TYR 14 HH TYR 14 -6.866 -17.961 -4.704
105 H ARG 15 H ARG 15 -2.150 -20.228 -5.968
106 HA ARG 15 HA ARG 15 -4.492 -20.927 -7.297
107 HB2 ARG 15 2HB ARG 15 -3.605 -18.642 -7.244
108 HB3 ARG 15 3HB ARG 15 -2.257 -19.134 -8.260
109 HG2 ARG 15 2HG ARG 15 -3.843 -19.679 -10.061
110 HG3 ARG 15 3HG ARG 15 -5.164 -19.107 -9.041
111 HD2 ARG 15 2HD ARG 15 -2.947 -17.213 -9.319
112 HD3 ARG 15 3HD ARG 15 -3.778 -17.580 -10.831
113 HE ARG 15 HE ARG 15 -5.570 -16.968 -8.678
114 HH11 ARG 15 1HH1 ARG 15 -3.560 -15.616 -11.178
115 HH12 ARG 15 2HH1 ARG 15 -4.465 -14.143 -11.290
116 HH21 ARG 15 1HH2 ARG 15 -6.770 -15.033 -8.816
117 HH22 ARG 15 2HH2 ARG 15 -6.290 -13.812 -9.945
118 H PHE 16 H PHE 16 -1.263 -21.994 -7.801
119 HA PHE 16 HA PHE 16 -1.187 -22.644 -10.477
120 HB2 PHE 16 2HB PHE 16 -0.095 -24.243 -8.152
121 HB3 PHE 16 3HB PHE 16 0.370 -24.465 -9.836
122 HD1 PHE 16 HD2 PHE 16 0.163 -21.315 -10.274
123 HD2 PHE 16 HD1 PHE 16 2.260 -23.859 -7.582
124 HE1 PHE 16 HE2 PHE 16 1.908 -19.599 -10.017
125 HE2 PHE 16 HE1 PHE 16 4.008 -22.148 -7.320
126 HZ PHE 16 HZ PHE 16 3.834 -20.015 -8.539
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.179 -0.068 -1.164
2 HA2 GLY 1 2HA GLY 1 0.391 -2.184 -3.008
3 HA3 GLY 1 3HA GLY 1 1.672 -1.007 -3.258
4 H ALA 2 H ALA 2 3.309 -1.308 -1.158
5 HA ALA 2 HA ALA 2 4.755 -3.637 -1.786
6 HB1 ALA 2 1HB ALA 2 6.375 -2.828 -0.410
7 HB2 ALA 2 2HB ALA 2 5.438 -1.349 -0.627
8 HB3 ALA 2 3HB ALA 2 5.226 -2.321 0.830
9 H ALA 3 H ALA 3 2.264 -3.007 0.545
10 HA ALA 3 HA ALA 3 2.808 -5.270 2.214
11 HB1 ALA 3 1HB ALA 3 0.308 -4.747 2.875
12 HB2 ALA 3 2HB ALA 3 1.635 -3.707 3.395
13 HB3 ALA 3 3HB ALA 3 0.642 -3.245 2.013
14 H LEU 4 H LEU 4 1.063 -4.733 -0.727
15 HA LEU 4 HA LEU 4 -0.407 -7.233 -0.519
16 HB2 LEU 4 2HB LEU 4 -1.188 -4.988 -1.593
17 HB3 LEU 4 3HB LEU 4 -0.283 -5.560 -2.992
18 HG LEU 4 HG LEU 4 -1.720 -7.657 -2.871
19 HD11 LEU 4 1HD1 LEU 4 -2.638 -7.544 -0.705
20 HD12 LEU 4 2HD1 LEU 4 -3.972 -7.204 -1.807
21 HD13 LEU 4 3HD1 LEU 4 -3.189 -5.885 -0.938
22 HD21 LEU 4 3HD2 LEU 4 -3.584 -6.572 -4.047
23 HD22 LEU 4 1HD2 LEU 4 -2.019 -5.961 -4.582
24 HD23 LEU 4 2HD2 LEU 4 -3.011 -5.000 -3.486
25 H GLN 5 H GLN 5 2.598 -6.144 -1.658
26 HA GLN 5 HA GLN 5 2.943 -7.995 -3.803
27 HB2 GLN 5 2HB GLN 5 4.811 -6.254 -2.218
28 HB3 GLN 5 3HB GLN 5 5.428 -7.417 -3.385
29 HG2 GLN 5 2HG GLN 5 3.359 -5.394 -4.151
30 HG3 GLN 5 3HG GLN 5 5.076 -4.998 -4.141
31 HE21 GLN 5 1HE2 GLN 5 2.562 -6.178 -5.961
32 HE22 GLN 5 2HE2 GLN 5 3.468 -6.904 -7.240
33 H ILE 6 H ILE 6 3.044 -8.259 -0.409
34 HA ILE 6 HA ILE 6 4.879 -10.473 -0.291
35 HB ILE 6 HB ILE 6 3.189 -9.015 1.674
36 HG12 ILE 6 2HG1 ILE 6 5.944 -10.077 2.153
37 HG13 ILE 6 3HG1 ILE 6 5.735 -8.737 1.031
38 HG21 ILE 6 1HG2 ILE 6 2.493 -11.128 2.345
39 HG22 ILE 6 2HG2 ILE 6 4.042 -11.871 1.950
40 HG23 ILE 6 3HG2 ILE 6 3.900 -10.829 3.365
41 HD11 ILE 6 3HD1 ILE 6 4.838 -8.766 3.903
42 HD12 ILE 6 1HD1 ILE 6 6.290 -7.979 3.283
43 HD13 ILE 6 2HD1 ILE 6 4.696 -7.415 2.778
44 HA PRO 7 HA PRO 7 0.808 -12.965 0.467
45 HB2 PRO 7 2HB PRO 7 -1.540 -11.682 0.005
46 HB3 PRO 7 3HB PRO 7 -0.738 -11.680 1.580
47 HG2 PRO 7 2HG PRO 7 -0.726 -9.582 -0.555
48 HG3 PRO 7 3HG PRO 7 -0.892 -9.391 1.200
49 HD2 PRO 7 2HD PRO 7 1.444 -8.955 -0.097
50 HD3 PRO 7 3HD PRO 7 1.377 -9.581 1.563
51 H PHE 8 H PHE 8 1.252 -10.754 -2.140
52 HA PHE 8 HA PHE 8 -0.471 -11.958 -4.040
53 HB2 PHE 8 2HB PHE 8 0.307 -9.720 -4.433
54 HB3 PHE 8 3HB PHE 8 1.989 -10.234 -4.361
55 HD1 PHE 8 HD2 PHE 8 -0.917 -11.679 -6.184
56 HD2 PHE 8 HD1 PHE 8 2.902 -9.816 -6.436
57 HE1 PHE 8 HE2 PHE 8 -0.919 -12.013 -8.622
58 HE2 PHE 8 HE1 PHE 8 2.905 -10.146 -8.875
59 HZ PHE 8 HZ PHE 8 0.994 -11.247 -9.970
60 H ALA 9 H ALA 9 2.786 -12.624 -2.976
61 HA ALA 9 HA ALA 9 3.437 -14.380 -5.146
62 HB1 ALA 9 1HB ALA 9 5.342 -13.510 -4.209
63 HB2 ALA 9 2HB ALA 9 4.722 -13.634 -2.563
64 HB3 ALA 9 3HB ALA 9 5.270 -15.081 -3.410
65 H MET 10 H MET 10 2.023 -14.730 -1.961
66 HA MET 10 HA MET 10 2.169 -17.620 -2.028
67 HB2 MET 10 2HB MET 10 1.671 -15.600 -0.042
68 HB3 MET 10 3HB MET 10 0.380 -16.793 -0.010
69 HG2 MET 10 2HG MET 10 3.268 -17.591 0.017
70 HG3 MET 10 3HG MET 10 2.397 -17.181 1.493
71 HE1 MET 10 3HE MET 10 0.906 -19.024 2.816
72 HE2 MET 10 1HE MET 10 -0.145 -18.147 1.704
73 HE3 MET 10 2HE MET 10 -0.263 -19.902 1.830
74 H GLN 11 H GLN 11 -0.145 -15.103 -2.723
75 HA GLN 11 HA GLN 11 -2.484 -16.674 -2.726
76 HB2 GLN 11 2HB GLN 11 -2.646 -14.272 -2.683
77 HB3 GLN 11 3HB GLN 11 -1.791 -14.140 -4.214
78 HG2 GLN 11 2HG GLN 11 -4.159 -15.801 -4.416
79 HG3 GLN 11 3HG GLN 11 -4.523 -14.171 -3.853
80 HE21 GLN 11 1HE2 GLN 11 -5.028 -15.605 -6.424
81 HE22 GLN 11 2HE2 GLN 11 -4.395 -14.557 -7.644
82 H MET 12 H MET 12 0.092 -16.304 -5.015
83 HA MET 12 HA MET 12 -1.421 -17.586 -7.149
84 HB2 MET 12 2HB MET 12 1.037 -16.007 -6.957
85 HB3 MET 12 3HB MET 12 1.177 -17.386 -8.040
86 HG2 MET 12 2HG MET 12 -0.635 -16.621 -9.376
87 HG3 MET 12 3HG MET 12 -1.043 -15.369 -8.205
88 HE1 MET 12 3HE MET 12 1.033 -14.504 -11.871
89 HE2 MET 12 1HE MET 12 0.442 -16.108 -11.437
90 HE3 MET 12 2HE MET 12 -0.643 -14.720 -11.363
91 H ALA 13 H ALA 13 1.036 -18.317 -4.788
92 HA ALA 13 HA ALA 13 2.165 -20.618 -5.837
93 HB1 ALA 13 1HB ALA 13 1.989 -21.169 -3.145
94 HB2 ALA 13 2HB ALA 13 3.275 -20.256 -3.936
95 HB3 ALA 13 3HB ALA 13 1.913 -19.407 -3.205
96 H TYR 14 H TYR 14 -0.878 -20.215 -4.090
97 HA TYR 14 HA TYR 14 -1.435 -23.071 -4.278
98 HB2 TYR 14 2HB TYR 14 -2.960 -22.775 -2.610
99 HB3 TYR 14 3HB TYR 14 -1.983 -21.343 -2.301
100 HD1 TYR 14 HD1 TYR 14 -2.742 -19.160 -3.498
101 HD2 TYR 14 HD2 TYR 14 -5.249 -22.552 -2.937
102 HE1 TYR 14 HE1 TYR 14 -4.726 -17.736 -3.797
103 HE2 TYR 14 HE2 TYR 14 -7.239 -21.138 -3.236
104 HH TYR 14 HH TYR 14 -7.791 -18.651 -2.938
105 H ARG 15 H ARG 15 -2.347 -20.049 -5.743
106 HA ARG 15 HA ARG 15 -4.764 -20.738 -6.935
107 HB2 ARG 15 2HB ARG 15 -3.870 -18.455 -6.927
108 HB3 ARG 15 3HB ARG 15 -2.584 -18.947 -8.021
109 HG2 ARG 15 2HG ARG 15 -4.306 -19.513 -9.712
110 HG3 ARG 15 3HG ARG 15 -5.532 -18.866 -8.619
111 HD2 ARG 15 2HD ARG 15 -5.172 -16.938 -9.711
112 HD3 ARG 15 3HD ARG 15 -3.746 -16.822 -8.681
113 HE ARG 15 HE ARG 15 -2.934 -18.262 -10.867
114 HH11 ARG 15 1HH1 ARG 15 -4.345 -15.125 -10.327
115 HH12 ARG 15 2HH1 ARG 15 -3.589 -14.403 -11.709
116 HH21 ARG 15 1HH2 ARG 15 -1.933 -17.322 -12.689
117 HH22 ARG 15 2HH2 ARG 15 -2.218 -15.654 -13.052
118 H PHE 16 H PHE 16 -1.573 -21.812 -7.628
119 HA PHE 16 HA PHE 16 -1.654 -22.454 -10.306
120 HB2 PHE 16 2HB PHE 16 -0.433 -24.062 -8.053
121 HB3 PHE 16 3HB PHE 16 -0.068 -24.281 -9.761
122 HD1 PHE 16 HD2 PHE 16 -0.291 -21.129 -10.179
123 HD2 PHE 16 HD1 PHE 16 1.952 -23.687 -7.620
124 HE1 PHE 16 HE2 PHE 16 1.471 -19.419 -10.020
125 HE2 PHE 16 HE1 PHE 16 3.717 -21.980 -7.456
126 HZ PHE 16 HZ PHE 16 3.478 -19.844 -8.658
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.634 0.316 -2.883
2 HA2 GLY 1 2HA GLY 1 0.424 -1.554 -2.336
3 HA3 GLY 1 3HA GLY 1 1.192 -1.321 -3.900
4 H ALA 2 H ALA 2 2.744 -1.795 -0.755
5 HA ALA 2 HA ALA 2 4.165 -4.094 -1.887
6 HB1 ALA 2 1HB ALA 2 4.740 -2.513 0.616
7 HB2 ALA 2 2HB ALA 2 5.741 -3.805 -0.048
8 HB3 ALA 2 3HB ALA 2 5.532 -2.301 -0.945
9 H ALA 3 H ALA 3 1.821 -3.238 0.512
10 HA ALA 3 HA ALA 3 2.053 -5.501 2.188
11 HB1 ALA 3 1HB ALA 3 -0.124 -4.882 3.044
12 HB2 ALA 3 2HB ALA 3 0.868 -3.440 2.830
13 HB3 ALA 3 3HB ALA 3 -0.395 -3.822 1.661
14 H LEU 4 H LEU 4 0.582 -5.003 -0.909
15 HA LEU 4 HA LEU 4 -0.976 -7.453 -0.756
16 HB2 LEU 4 2HB LEU 4 -1.735 -6.870 -2.997
17 HB3 LEU 4 3HB LEU 4 -1.948 -5.531 -1.872
18 HG LEU 4 HG LEU 4 0.575 -5.344 -3.283
19 HD11 LEU 4 1HD1 LEU 4 -0.099 -6.098 -5.280
20 HD12 LEU 4 2HD1 LEU 4 -1.005 -4.588 -5.370
21 HD13 LEU 4 3HD1 LEU 4 -1.804 -6.064 -4.829
22 HD21 LEU 4 3HD2 LEU 4 -1.859 -3.606 -2.942
23 HD22 LEU 4 1HD2 LEU 4 -0.437 -3.107 -3.859
24 HD23 LEU 4 2HD2 LEU 4 -0.295 -3.463 -2.138
25 H GLN 5 H GLN 5 2.144 -6.485 -1.669
26 HA GLN 5 HA GLN 5 2.609 -8.409 -3.725
27 HB2 GLN 5 2HB GLN 5 3.924 -6.205 -3.011
28 HB3 GLN 5 3HB GLN 5 4.862 -7.367 -2.081
29 HG2 GLN 5 2HG GLN 5 5.278 -8.640 -4.150
30 HG3 GLN 5 3HG GLN 5 4.411 -7.401 -5.056
31 HE21 GLN 5 1HE2 GLN 5 7.378 -8.456 -4.351
32 HE22 GLN 5 2HE2 GLN 5 8.273 -6.982 -4.453
33 H ILE 6 H ILE 6 2.419 -8.574 -0.330
34 HA ILE 6 HA ILE 6 4.168 -10.835 0.002
35 HB ILE 6 HB ILE 6 2.368 -9.271 1.779
36 HG12 ILE 6 2HG1 ILE 6 4.605 -9.871 3.191
37 HG13 ILE 6 3HG1 ILE 6 5.228 -9.991 1.549
38 HG21 ILE 6 1HG2 ILE 6 3.104 -12.142 2.204
39 HG22 ILE 6 2HG2 ILE 6 2.879 -11.053 3.572
40 HG23 ILE 6 3HG2 ILE 6 1.552 -11.341 2.447
41 HD11 ILE 6 3HD1 ILE 6 3.615 -7.606 2.033
42 HD12 ILE 6 1HD1 ILE 6 5.076 -7.707 3.015
43 HD13 ILE 6 2HD1 ILE 6 5.189 -7.781 1.256
44 HA PRO 7 HA PRO 7 -0.028 -13.185 0.485
45 HB2 PRO 7 2HB PRO 7 -2.288 -11.849 -0.206
46 HB3 PRO 7 3HB PRO 7 -1.619 -11.823 1.430
47 HG2 PRO 7 2HG PRO 7 -1.365 -9.790 -0.753
48 HG3 PRO 7 3HG PRO 7 -1.670 -9.543 0.977
49 HD2 PRO 7 2HD PRO 7 0.778 -9.214 -0.133
50 HD3 PRO 7 3HD PRO 7 0.554 -9.788 1.532
51 H PHE 8 H PHE 8 0.694 -11.064 -2.135
52 HA PHE 8 HA PHE 8 -0.890 -12.345 -4.126
53 HB2 PHE 8 2HB PHE 8 -0.165 -10.081 -4.503
54 HB3 PHE 8 3HB PHE 8 1.525 -10.539 -4.322
55 HD1 PHE 8 HD2 PHE 8 -1.217 -12.114 -6.285
56 HD2 PHE 8 HD1 PHE 8 2.543 -10.121 -6.349
57 HE1 PHE 8 HE2 PHE 8 -1.064 -12.488 -8.712
58 HE2 PHE 8 HE1 PHE 8 2.702 -10.491 -8.776
59 HZ PHE 8 HZ PHE 8 0.898 -11.677 -9.961
60 H ALA 9 H ALA 9 2.349 -12.807 -2.875
61 HA ALA 9 HA ALA 9 3.130 -14.657 -4.935
62 HB1 ALA 9 1HB ALA 9 4.403 -14.003 -2.281
63 HB2 ALA 9 2HB ALA 9 5.123 -15.018 -3.532
64 HB3 ALA 9 3HB ALA 9 4.820 -13.310 -3.848
65 H MET 10 H MET 10 1.492 -14.834 -1.900
66 HA MET 10 HA MET 10 1.912 -17.707 -1.658
67 HB2 MET 10 2HB MET 10 1.571 -15.714 0.207
68 HB3 MET 10 3HB MET 10 -0.019 -16.465 0.162
69 HG2 MET 10 2HG MET 10 1.100 -18.667 0.522
70 HG3 MET 10 3HG MET 10 2.610 -17.791 0.765
71 HE1 MET 10 3HE MET 10 2.997 -16.041 2.690
72 HE2 MET 10 1HE MET 10 2.556 -16.654 4.283
73 HE3 MET 10 2HE MET 10 3.411 -17.694 3.145
74 H GLN 11 H GLN 11 -0.540 -15.415 -2.614
75 HA GLN 11 HA GLN 11 -2.685 -17.318 -2.647
76 HB2 GLN 11 2HB GLN 11 -4.024 -15.575 -3.535
77 HB3 GLN 11 3HB GLN 11 -2.937 -14.813 -2.380
78 HG2 GLN 11 2HG GLN 11 -2.621 -13.341 -4.036
79 HG3 GLN 11 3HG GLN 11 -1.492 -14.554 -4.636
80 HE21 GLN 11 1HE2 GLN 11 -3.108 -12.521 -6.038
81 HE22 GLN 11 2HE2 GLN 11 -4.023 -13.393 -7.215
82 H MET 12 H MET 12 -0.245 -16.254 -4.879
83 HA MET 12 HA MET 12 -1.557 -17.537 -7.141
84 HB2 MET 12 2HB MET 12 0.026 -15.331 -6.987
85 HB3 MET 12 3HB MET 12 1.203 -16.549 -7.459
86 HG2 MET 12 2HG MET 12 -0.333 -17.167 -9.339
87 HG3 MET 12 3HG MET 12 -1.298 -15.754 -8.919
88 HE1 MET 12 3HE MET 12 -1.190 -14.902 -11.210
89 HE2 MET 12 1HE MET 12 0.221 -14.226 -12.025
90 HE3 MET 12 2HE MET 12 -0.019 -15.973 -11.981
91 H ALA 13 H ALA 13 1.042 -18.081 -4.883
92 HA ALA 13 HA ALA 13 2.532 -20.016 -6.192
93 HB1 ALA 13 1HB ALA 13 2.030 -19.307 -3.370
94 HB2 ALA 13 2HB ALA 13 2.684 -20.918 -3.670
95 HB3 ALA 13 3HB ALA 13 3.551 -19.493 -4.244
96 H TYR 14 H TYR 14 -0.491 -20.350 -4.398
97 HA TYR 14 HA TYR 14 -0.544 -23.221 -4.901
98 HB2 TYR 14 2HB TYR 14 -2.057 -23.383 -3.204
99 HB3 TYR 14 3HB TYR 14 -1.339 -21.844 -2.741
100 HD1 TYR 14 HD1 TYR 14 -2.498 -19.712 -3.684
101 HD2 TYR 14 HD2 TYR 14 -4.356 -23.535 -3.495
102 HE1 TYR 14 HE1 TYR 14 -4.707 -18.638 -3.814
103 HE2 TYR 14 HE2 TYR 14 -6.570 -22.472 -3.626
104 HH TYR 14 HH TYR 14 -7.244 -19.539 -2.939
105 H ARG 15 H ARG 15 -2.004 -20.266 -6.016
106 HA ARG 15 HA ARG 15 -4.292 -21.238 -7.268
107 HB2 ARG 15 2HB ARG 15 -3.816 -18.848 -7.009
108 HB3 ARG 15 3HB ARG 15 -2.486 -18.980 -8.151
109 HG2 ARG 15 2HG ARG 15 -4.107 -19.645 -9.898
110 HG3 ARG 15 3HG ARG 15 -5.411 -19.371 -8.740
111 HD2 ARG 15 2HD ARG 15 -3.492 -17.157 -9.059
112 HD3 ARG 15 3HD ARG 15 -4.499 -17.504 -10.465
113 HE ARG 15 HE ARG 15 -6.093 -17.386 -8.138
114 HH11 ARG 15 1HH1 ARG 15 -4.304 -15.347 -10.320
115 HH12 ARG 15 2HH1 ARG 15 -5.299 -13.956 -10.044
116 HH21 ARG 15 1HH2 ARG 15 -7.410 -15.561 -7.766
117 HH22 ARG 15 2HH2 ARG 15 -7.065 -14.078 -8.590
118 H PHE 16 H PHE 16 -0.979 -21.649 -8.088
119 HA PHE 16 HA PHE 16 -1.009 -21.996 -10.821
120 HB2 PHE 16 2HB PHE 16 0.526 -23.601 -8.766
121 HB3 PHE 16 3HB PHE 16 0.885 -23.565 -10.490
122 HD1 PHE 16 HD1 PHE 16 0.105 -20.476 -10.556
123 HD2 PHE 16 HD2 PHE 16 2.819 -22.859 -8.304
124 HE1 PHE 16 HE1 PHE 16 1.544 -18.510 -10.215
125 HE2 PHE 16 HE2 PHE 16 4.262 -20.897 -7.959
126 HZ PHE 16 HZ PHE 16 3.625 -18.718 -8.914
Start of MODEL 4
1 H1 GLY 1 H GLY 1 2.296 -0.664 -4.168
2 HA2 GLY 1 2HA GLY 1 0.558 -2.286 -2.562
3 HA3 GLY 1 3HA GLY 1 1.251 -2.723 -4.116
4 H ALA 2 H ALA 2 3.294 -1.677 -1.506
5 HA ALA 2 HA ALA 2 4.910 -3.976 -1.615
6 HB1 ALA 2 1HB ALA 2 4.782 -2.132 0.751
7 HB2 ALA 2 2HB ALA 2 6.168 -3.022 0.120
8 HB3 ALA 2 3HB ALA 2 5.520 -1.648 -0.775
9 H ALA 3 H ALA 3 2.038 -3.249 0.175
10 HA ALA 3 HA ALA 3 2.426 -5.392 2.086
11 HB1 ALA 3 1HB ALA 3 0.400 -4.686 3.087
12 HB2 ALA 3 2HB ALA 3 1.262 -3.220 2.617
13 HB3 ALA 3 3HB ALA 3 -0.088 -3.801 1.641
14 H LEU 4 H LEU 4 0.898 -4.900 -0.981
15 HA LEU 4 HA LEU 4 -0.712 -7.311 -0.765
16 HB2 LEU 4 2HB LEU 4 -0.424 -5.121 -2.769
17 HB3 LEU 4 3HB LEU 4 -1.118 -6.661 -3.272
18 HG LEU 4 HG LEU 4 -2.204 -4.959 -1.031
19 HD11 LEU 4 1HD1 LEU 4 -3.052 -3.641 -2.603
20 HD12 LEU 4 2HD1 LEU 4 -4.014 -5.016 -3.146
21 HD13 LEU 4 3HD1 LEU 4 -2.451 -4.685 -3.891
22 HD21 LEU 4 3HD2 LEU 4 -3.322 -7.356 -2.481
23 HD22 LEU 4 1HD2 LEU 4 -4.173 -6.401 -1.267
24 HD23 LEU 4 2HD2 LEU 4 -2.737 -7.320 -0.817
25 H GLN 5 H GLN 5 2.411 -6.427 -1.752
26 HA GLN 5 HA GLN 5 2.790 -8.386 -3.792
27 HB2 GLN 5 2HB GLN 5 4.213 -6.206 -2.886
28 HB3 GLN 5 3HB GLN 5 5.195 -7.561 -2.346
29 HG2 GLN 5 2HG GLN 5 4.420 -8.082 -5.014
30 HG3 GLN 5 3HG GLN 5 4.998 -6.418 -4.937
31 HE21 GLN 5 1HE2 GLN 5 6.159 -8.839 -6.163
32 HE22 GLN 5 2HE2 GLN 5 7.743 -8.981 -5.489
33 H ILE 6 H ILE 6 2.665 -8.505 -0.391
34 HA ILE 6 HA ILE 6 4.369 -10.801 -0.065
35 HB ILE 6 HB ILE 6 2.641 -9.174 1.727
36 HG12 ILE 6 2HG1 ILE 6 5.091 -10.155 2.859
37 HG13 ILE 6 3HG1 ILE 6 5.404 -9.547 1.237
38 HG21 ILE 6 1HG2 ILE 6 1.792 -11.216 2.438
39 HG22 ILE 6 2HG2 ILE 6 3.320 -12.055 2.174
40 HG23 ILE 6 3HG2 ILE 6 3.147 -10.944 3.533
41 HD11 ILE 6 3HD1 ILE 6 4.577 -7.399 1.797
42 HD12 ILE 6 1HD1 ILE 6 3.938 -7.976 3.336
43 HD13 ILE 6 2HD1 ILE 6 5.681 -7.886 3.082
44 HA PRO 7 HA PRO 7 0.131 -13.047 0.532
45 HB2 PRO 7 2HB PRO 7 -2.112 -11.669 -0.131
46 HB3 PRO 7 3HB PRO 7 -1.410 -11.638 1.490
47 HG2 PRO 7 2HG PRO 7 -1.153 -9.639 -0.723
48 HG3 PRO 7 3HG PRO 7 -1.417 -9.363 1.008
49 HD2 PRO 7 2HD PRO 7 1.015 -9.104 -0.154
50 HD3 PRO 7 3HD PRO 7 0.811 -9.652 1.523
51 H PHE 8 H PHE 8 0.864 -10.987 -2.128
52 HA PHE 8 HA PHE 8 -0.797 -12.236 -4.075
53 HB2 PHE 8 2HB PHE 8 0.002 -10.014 -4.510
54 HB3 PHE 8 3HB PHE 8 1.678 -10.521 -4.324
55 HD1 PHE 8 HD2 PHE 8 -1.108 -12.067 -6.247
56 HD2 PHE 8 HD1 PHE 8 2.693 -10.154 -6.365
57 HE1 PHE 8 HE2 PHE 8 -0.972 -12.493 -8.666
58 HE2 PHE 8 HE1 PHE 8 2.834 -10.576 -8.785
59 HZ PHE 8 HZ PHE 8 1.000 -11.748 -9.938
60 H ALA 9 H ALA 9 2.437 -12.815 -2.861
61 HA ALA 9 HA ALA 9 3.116 -14.719 -4.909
62 HB1 ALA 9 1HB ALA 9 5.093 -15.169 -3.469
63 HB2 ALA 9 2HB ALA 9 4.895 -13.469 -3.898
64 HB3 ALA 9 3HB ALA 9 4.439 -14.032 -2.290
65 H MET 10 H MET 10 1.502 -14.794 -1.858
66 HA MET 10 HA MET 10 1.807 -17.680 -1.587
67 HB2 MET 10 2HB MET 10 0.335 -15.686 0.145
68 HB3 MET 10 3HB MET 10 0.552 -17.391 0.517
69 HG2 MET 10 2HG MET 10 3.083 -16.838 0.285
70 HG3 MET 10 3HG MET 10 2.548 -15.179 0.542
71 HE1 MET 10 3HE MET 10 4.548 -16.808 1.929
72 HE2 MET 10 1HE MET 10 4.355 -15.873 3.412
73 HE3 MET 10 2HE MET 10 4.134 -17.623 3.438
74 H GLN 11 H GLN 11 -0.559 -15.297 -2.539
75 HA GLN 11 HA GLN 11 -2.783 -17.107 -2.525
76 HB2 GLN 11 2HB GLN 11 -4.056 -15.319 -3.419
77 HB3 GLN 11 3HB GLN 11 -2.924 -14.590 -2.288
78 HG2 GLN 11 2HG GLN 11 -2.569 -13.153 -3.967
79 HG3 GLN 11 3HG GLN 11 -1.496 -14.419 -4.561
80 HE21 GLN 11 1HE2 GLN 11 -3.020 -12.349 -5.990
81 HE22 GLN 11 2HE2 GLN 11 -3.991 -13.197 -7.140
82 H MET 12 H MET 12 -0.324 -16.179 -4.796
83 HA MET 12 HA MET 12 -1.716 -17.429 -7.028
84 HB2 MET 12 2HB MET 12 -0.030 -15.295 -6.914
85 HB3 MET 12 3HB MET 12 1.080 -16.572 -7.393
86 HG2 MET 12 2HG MET 12 -0.631 -17.130 -9.205
87 HG3 MET 12 3HG MET 12 -1.343 -15.562 -8.832
88 HE1 MET 12 3HE MET 12 0.045 -13.651 -11.394
89 HE2 MET 12 1HE MET 12 -0.242 -15.270 -12.034
90 HE3 MET 12 2HE MET 12 -1.301 -14.615 -10.785
91 H ALA 13 H ALA 13 0.885 -18.058 -4.794
92 HA ALA 13 HA ALA 13 2.272 -20.074 -6.093
93 HB1 ALA 13 1HB ALA 13 1.888 -19.237 -3.310
94 HB2 ALA 13 2HB ALA 13 2.333 -20.932 -3.514
95 HB3 ALA 13 3HB ALA 13 3.364 -19.664 -4.177
96 H TYR 14 H TYR 14 -0.742 -20.252 -4.262
97 HA TYR 14 HA TYR 14 -0.926 -23.124 -4.727
98 HB2 TYR 14 2HB TYR 14 -2.425 -23.198 -3.012
99 HB3 TYR 14 3HB TYR 14 -1.637 -21.686 -2.577
100 HD1 TYR 14 HD1 TYR 14 -2.712 -19.518 -3.535
101 HD2 TYR 14 HD2 TYR 14 -4.732 -23.253 -3.277
102 HE1 TYR 14 HE1 TYR 14 -4.874 -18.350 -3.656
103 HE2 TYR 14 HE2 TYR 14 -6.899 -22.097 -3.398
104 HH TYR 14 HH TYR 14 -7.930 -20.147 -3.726
105 H ARG 15 H ARG 15 -2.269 -20.122 -5.864
106 HA ARG 15 HA ARG 15 -4.611 -21.007 -7.078
107 HB2 ARG 15 2HB ARG 15 -4.028 -18.638 -6.856
108 HB3 ARG 15 3HB ARG 15 -2.717 -18.843 -8.010
109 HG2 ARG 15 2HG ARG 15 -4.418 -19.496 -9.714
110 HG3 ARG 15 3HG ARG 15 -5.668 -19.061 -8.546
111 HD2 ARG 15 2HD ARG 15 -5.542 -17.019 -9.455
112 HD3 ARG 15 3HD ARG 15 -4.060 -16.853 -8.514
113 HE ARG 15 HE ARG 15 -3.226 -18.015 -10.818
114 HH11 ARG 15 1HH1 ARG 15 -5.089 -15.167 -10.086
115 HH12 ARG 15 2HH1 ARG 15 -4.555 -14.298 -11.486
116 HH21 ARG 15 1HH2 ARG 15 -2.515 -16.881 -12.666
117 HH22 ARG 15 2HH2 ARG 15 -3.091 -15.275 -12.954
118 H PHE 16 H PHE 16 -1.328 -21.573 -7.931
119 HA PHE 16 HA PHE 16 -1.406 -21.954 -10.658
120 HB2 PHE 16 2HB PHE 16 0.083 -23.598 -8.600
121 HB3 PHE 16 3HB PHE 16 0.422 -23.598 -10.328
122 HD1 PHE 16 HD1 PHE 16 -0.226 -20.479 -10.422
123 HD2 PHE 16 HD2 PHE 16 2.412 -22.950 -8.175
124 HE1 PHE 16 HE1 PHE 16 1.300 -18.572 -10.122
125 HE2 PHE 16 HE2 PHE 16 3.941 -21.048 -7.871
126 HZ PHE 16 HZ PHE 16 3.386 -18.854 -8.844
Start of MODEL 5
1 H1 GLY 1 H GLY 1 3.901 1.565 -0.688
2 HA2 GLY 1 2HA GLY 1 1.917 0.227 1.021
3 HA3 GLY 1 3HA GLY 1 1.604 0.914 -0.566
4 H ALA 2 H ALA 2 4.105 -1.353 0.552
5 HA ALA 2 HA ALA 2 3.315 -3.159 -1.623
6 HB1 ALA 2 1HB ALA 2 5.502 -4.098 -1.509
7 HB2 ALA 2 2HB ALA 2 5.677 -2.342 -1.492
8 HB3 ALA 2 3HB ALA 2 5.846 -3.259 0.005
9 H ALA 3 H ALA 3 1.744 -3.048 0.757
10 HA ALA 3 HA ALA 3 2.452 -5.288 2.422
11 HB1 ALA 3 1HB ALA 3 0.548 -3.133 2.501
12 HB2 ALA 3 2HB ALA 3 -0.239 -4.671 2.858
13 HB3 ALA 3 3HB ALA 3 1.149 -4.148 3.813
14 H LEU 4 H LEU 4 0.582 -4.765 -0.445
15 HA LEU 4 HA LEU 4 -0.800 -7.313 -0.220
16 HB2 LEU 4 2HB LEU 4 -1.869 -6.694 -2.314
17 HB3 LEU 4 3HB LEU 4 -2.003 -5.404 -1.121
18 HG LEU 4 HG LEU 4 0.262 -5.179 -2.997
19 HD11 LEU 4 1HD1 LEU 4 -2.529 -4.611 -3.966
20 HD12 LEU 4 2HD1 LEU 4 -1.629 -6.065 -4.395
21 HD13 LEU 4 3HD1 LEU 4 -1.018 -4.479 -4.866
22 HD21 LEU 4 3HD2 LEU 4 -1.411 -2.900 -2.895
23 HD22 LEU 4 1HD2 LEU 4 0.176 -3.128 -2.160
24 HD23 LEU 4 2HD2 LEU 4 -1.281 -3.539 -1.256
25 H GLN 5 H GLN 5 2.123 -6.112 -1.454
26 HA GLN 5 HA GLN 5 2.445 -7.922 -3.638
27 HB2 GLN 5 2HB GLN 5 4.046 -5.870 -2.291
28 HB3 GLN 5 3HB GLN 5 4.996 -7.226 -2.885
29 HG2 GLN 5 2HG GLN 5 3.014 -6.090 -4.752
30 HG3 GLN 5 3HG GLN 5 4.406 -5.082 -4.362
31 HE21 GLN 5 1HE2 GLN 5 3.371 -6.928 -6.680
32 HE22 GLN 5 2HE2 GLN 5 4.821 -7.717 -7.189
33 H ILE 6 H ILE 6 2.683 -8.230 -0.255
34 HA ILE 6 HA ILE 6 4.592 -10.384 -0.240
35 HB ILE 6 HB ILE 6 2.932 -9.009 1.809
36 HG12 ILE 6 2HG1 ILE 6 5.399 -9.592 2.870
37 HG13 ILE 6 3HG1 ILE 6 5.760 -9.452 1.153
38 HG21 ILE 6 1HG2 ILE 6 2.329 -11.153 2.474
39 HG22 ILE 6 2HG2 ILE 6 3.885 -11.840 2.010
40 HG23 ILE 6 3HG2 ILE 6 3.764 -10.823 3.445
41 HD11 ILE 6 3HD1 ILE 6 5.146 -7.227 1.077
42 HD12 ILE 6 1HD1 ILE 6 4.165 -7.342 2.538
43 HD13 ILE 6 2HD1 ILE 6 5.925 -7.366 2.653
44 HA PRO 7 HA PRO 7 0.634 -13.017 0.633
45 HB2 PRO 7 2HB PRO 7 -1.770 -11.805 0.279
46 HB3 PRO 7 3HB PRO 7 -0.909 -11.799 1.823
47 HG2 PRO 7 2HG PRO 7 -1.045 -9.671 -0.279
48 HG3 PRO 7 3HG PRO 7 -1.150 -9.511 1.484
49 HD2 PRO 7 2HD PRO 7 1.120 -8.981 0.106
50 HD3 PRO 7 3HD PRO 7 1.135 -9.632 1.757
51 H PHE 8 H PHE 8 0.905 -10.756 -1.955
52 HA PHE 8 HA PHE 8 -0.845 -12.009 -3.805
53 HB2 PHE 8 2HB PHE 8 -0.196 -9.724 -4.180
54 HB3 PHE 8 3HB PHE 8 1.511 -10.158 -4.199
55 HD1 PHE 8 HD2 PHE 8 -1.415 -11.697 -5.912
56 HD2 PHE 8 HD1 PHE 8 2.306 -9.668 -6.306
57 HE1 PHE 8 HE2 PHE 8 -1.520 -11.985 -8.353
58 HE2 PHE 8 HE1 PHE 8 2.206 -9.952 -8.748
59 HZ PHE 8 HZ PHE 8 0.292 -11.113 -9.775
60 H ALA 9 H ALA 9 2.513 -12.479 -2.932
61 HA ALA 9 HA ALA 9 3.191 -14.141 -5.142
62 HB1 ALA 9 1HB ALA 9 4.460 -13.367 -2.583
63 HB2 ALA 9 2HB ALA 9 5.019 -14.860 -3.338
64 HB3 ALA 9 3HB ALA 9 5.103 -13.337 -4.225
65 H MET 10 H MET 10 1.867 -14.718 -1.941
66 HA MET 10 HA MET 10 2.108 -17.589 -2.174
67 HB2 MET 10 2HB MET 10 1.235 -15.670 -0.098
68 HB3 MET 10 3HB MET 10 0.456 -17.246 -0.063
69 HG2 MET 10 2HG MET 10 3.288 -17.551 -0.398
70 HG3 MET 10 3HG MET 10 2.941 -16.535 1.000
71 HE1 MET 10 3HE MET 10 3.133 -19.902 -0.531
72 HE2 MET 10 1HE MET 10 2.216 -20.997 0.504
73 HE3 MET 10 2HE MET 10 1.371 -19.934 -0.622
74 H GLN 11 H GLN 11 -0.377 -15.135 -2.550
75 HA GLN 11 HA GLN 11 -2.637 -16.764 -2.630
76 HB2 GLN 11 2HB GLN 11 -2.765 -14.325 -2.542
77 HB3 GLN 11 3HB GLN 11 -2.086 -14.217 -4.161
78 HG2 GLN 11 2HG GLN 11 -4.370 -15.919 -4.232
79 HG3 GLN 11 3HG GLN 11 -4.792 -14.420 -3.405
80 HE21 GLN 11 1HE2 GLN 11 -4.188 -15.921 -6.384
81 HE22 GLN 11 2HE2 GLN 11 -4.302 -14.519 -7.388
82 H MET 12 H MET 12 -0.123 -16.272 -4.967
83 HA MET 12 HA MET 12 -1.647 -17.553 -7.093
84 HB2 MET 12 2HB MET 12 0.361 -15.642 -7.078
85 HB3 MET 12 3HB MET 12 1.185 -17.097 -7.622
86 HG2 MET 12 2HG MET 12 0.108 -17.136 -9.594
87 HG3 MET 12 3HG MET 12 -1.405 -16.557 -8.900
88 HE1 MET 12 3HE MET 12 0.973 -16.170 -11.230
89 HE2 MET 12 1HE MET 12 0.923 -14.488 -11.757
90 HE3 MET 12 2HE MET 12 2.139 -15.010 -10.591
91 H ALA 13 H ALA 13 0.900 -18.258 -4.815
92 HA ALA 13 HA ALA 13 2.072 -20.499 -5.926
93 HB1 ALA 13 1HB ALA 13 3.079 -19.739 -3.983
94 HB2 ALA 13 2HB ALA 13 1.555 -19.678 -3.095
95 HB3 ALA 13 3HB ALA 13 2.304 -21.234 -3.456
96 H TYR 14 H TYR 14 -0.959 -20.245 -4.128
97 HA TYR 14 HA TYR 14 -1.430 -23.109 -4.399
98 HB2 TYR 14 2HB TYR 14 -2.940 -22.912 -2.703
99 HB3 TYR 14 3HB TYR 14 -2.006 -21.460 -2.363
100 HD1 TYR 14 HD1 TYR 14 -2.851 -19.264 -3.465
101 HD2 TYR 14 HD2 TYR 14 -5.239 -22.757 -3.013
102 HE1 TYR 14 HE1 TYR 14 -4.883 -17.898 -3.696
103 HE2 TYR 14 HE2 TYR 14 -7.278 -21.400 -3.244
104 HH TYR 14 HH TYR 14 -7.136 -17.887 -3.423
105 H ARG 15 H ARG 15 -2.477 -20.068 -5.741
106 HA ARG 15 HA ARG 15 -4.879 -20.804 -6.929
107 HB2 ARG 15 2HB ARG 15 -4.029 -18.491 -6.845
108 HB3 ARG 15 3HB ARG 15 -2.787 -18.911 -8.017
109 HG2 ARG 15 2HG ARG 15 -5.272 -19.672 -9.123
110 HG3 ARG 15 3HG ARG 15 -5.455 -18.042 -8.471
111 HD2 ARG 15 2HD ARG 15 -4.636 -17.491 -10.514
112 HD3 ARG 15 3HD ARG 15 -3.102 -17.731 -9.677
113 HE ARG 15 HE ARG 15 -3.941 -20.171 -10.790
114 HH11 ARG 15 1HH1 ARG 15 -2.741 -17.048 -11.752
115 HH12 ARG 15 2HH1 ARG 15 -1.998 -17.636 -13.203
116 HH21 ARG 15 1HH2 ARG 15 -2.967 -20.957 -12.697
117 HH22 ARG 15 2HH2 ARG 15 -2.128 -19.859 -13.739
118 H PHE 16 H PHE 16 -1.658 -21.730 -7.706
119 HA PHE 16 HA PHE 16 -1.759 -22.287 -10.401
120 HB2 PHE 16 2HB PHE 16 -0.443 -23.920 -8.221
121 HB3 PHE 16 3HB PHE 16 -0.098 -24.072 -9.941
122 HD1 PHE 16 HD2 PHE 16 -0.451 -20.914 -10.243
123 HD2 PHE 16 HD1 PHE 16 1.941 -23.475 -7.827
124 HE1 PHE 16 HE2 PHE 16 1.250 -19.145 -10.057
125 HE2 PHE 16 HE1 PHE 16 3.645 -21.711 -7.636
126 HZ PHE 16 HZ PHE 16 3.301 -19.543 -8.753
Start of MODEL 6
1 H1 GLY 1 H GLY 1 4.378 1.617 0.312
2 HA2 GLY 1 2HA GLY 1 2.178 0.250 0.851
3 HA3 GLY 1 3HA GLY 1 2.332 1.082 -0.690
4 H ALA 2 H ALA 2 4.440 -1.575 -0.058
5 HA ALA 2 HA ALA 2 3.070 -3.116 -2.134
6 HB1 ALA 2 1HB ALA 2 5.077 -4.139 -2.602
7 HB2 ALA 2 2HB ALA 2 5.618 -2.549 -2.061
8 HB3 ALA 2 3HB ALA 2 5.692 -3.927 -0.963
9 H ALA 3 H ALA 3 2.101 -2.927 0.660
10 HA ALA 3 HA ALA 3 2.657 -5.230 2.138
11 HB1 ALA 3 1HB ALA 3 0.834 -4.681 3.465
12 HB2 ALA 3 2HB ALA 3 1.310 -3.125 2.782
13 HB3 ALA 3 3HB ALA 3 -0.070 -3.997 2.113
14 H LEU 4 H LEU 4 0.729 -4.775 -0.702
15 HA LEU 4 HA LEU 4 -0.623 -7.332 -0.408
16 HB2 LEU 4 2HB LEU 4 -1.567 -5.133 -1.431
17 HB3 LEU 4 3HB LEU 4 -0.705 -5.650 -2.879
18 HG LEU 4 HG LEU 4 -2.083 -7.890 -2.385
19 HD11 LEU 4 1HD1 LEU 4 -4.336 -7.343 -1.649
20 HD12 LEU 4 2HD1 LEU 4 -3.847 -5.676 -1.348
21 HD13 LEU 4 3HD1 LEU 4 -3.160 -6.983 -0.385
22 HD21 LEU 4 3HD2 LEU 4 -3.561 -7.232 -4.121
23 HD22 LEU 4 1HD2 LEU 4 -2.018 -6.440 -4.441
24 HD23 LEU 4 2HD2 LEU 4 -3.352 -5.521 -3.744
25 H GLN 5 H GLN 5 2.265 -6.125 -1.717
26 HA GLN 5 HA GLN 5 2.563 -7.967 -3.876
27 HB2 GLN 5 2HB GLN 5 3.788 -5.711 -3.433
28 HB3 GLN 5 3HB GLN 5 4.878 -6.690 -2.461
29 HG2 GLN 5 2HG GLN 5 5.410 -8.059 -4.386
30 HG3 GLN 5 3HG GLN 5 4.263 -7.152 -5.370
31 HE21 GLN 5 1HE2 GLN 5 7.420 -7.530 -4.791
32 HE22 GLN 5 2HE2 GLN 5 8.005 -5.953 -5.189
33 H ILE 6 H ILE 6 2.867 -8.216 -0.494
34 HA ILE 6 HA ILE 6 4.796 -10.353 -0.479
35 HB ILE 6 HB ILE 6 3.163 -8.958 1.578
36 HG12 ILE 6 2HG1 ILE 6 5.979 -9.906 1.908
37 HG13 ILE 6 3HG1 ILE 6 5.657 -8.586 0.789
38 HG21 ILE 6 1HG2 ILE 6 4.145 -11.777 1.809
39 HG22 ILE 6 2HG2 ILE 6 4.042 -10.736 3.228
40 HG23 ILE 6 3HG2 ILE 6 2.592 -11.095 2.291
41 HD11 ILE 6 3HD1 ILE 6 4.455 -7.458 2.722
42 HD12 ILE 6 1HD1 ILE 6 5.216 -8.672 3.750
43 HD13 ILE 6 2HD1 ILE 6 6.213 -7.561 2.812
44 HA PRO 7 HA PRO 7 0.880 -13.006 0.513
45 HB2 PRO 7 2HB PRO 7 -1.541 -11.822 0.185
46 HB3 PRO 7 3HB PRO 7 -0.651 -11.782 1.712
47 HG2 PRO 7 2HG PRO 7 -0.847 -9.692 -0.422
48 HG3 PRO 7 3HG PRO 7 -0.920 -9.502 1.339
49 HD2 PRO 7 2HD PRO 7 1.318 -8.976 -0.090
50 HD3 PRO 7 3HD PRO 7 1.371 -9.599 1.571
51 H PHE 8 H PHE 8 1.086 -10.789 -2.117
52 HA PHE 8 HA PHE 8 -0.685 -12.102 -3.910
53 HB2 PHE 8 2HB PHE 8 -0.099 -9.811 -4.335
54 HB3 PHE 8 3HB PHE 8 1.617 -10.202 -4.376
55 HD1 PHE 8 HD2 PHE 8 -1.306 -11.825 -6.018
56 HD2 PHE 8 HD1 PHE 8 2.374 -9.741 -6.502
57 HE1 PHE 8 HE2 PHE 8 -1.444 -12.154 -8.453
58 HE2 PHE 8 HE1 PHE 8 2.241 -10.065 -8.937
59 HZ PHE 8 HZ PHE 8 0.332 -11.274 -9.916
60 H ALA 9 H ALA 9 2.699 -12.483 -3.101
61 HA ALA 9 HA ALA 9 3.401 -14.136 -5.300
62 HB1 ALA 9 1HB ALA 9 5.459 -14.030 -4.442
63 HB2 ALA 9 2HB ALA 9 4.778 -12.902 -3.269
64 HB3 ALA 9 3HB ALA 9 4.926 -14.612 -2.864
65 H MET 10 H MET 10 2.353 -14.825 -1.981
66 HA MET 10 HA MET 10 2.504 -17.671 -2.342
67 HB2 MET 10 2HB MET 10 1.609 -17.830 -0.116
68 HB3 MET 10 3HB MET 10 2.808 -16.544 -0.137
69 HG2 MET 10 2HG MET 10 0.923 -14.918 -0.397
70 HG3 MET 10 3HG MET 10 -0.183 -16.261 -0.116
71 HE1 MET 10 3HE MET 10 -1.291 -15.451 2.530
72 HE2 MET 10 1HE MET 10 -0.971 -16.999 1.748
73 HE3 MET 10 2HE MET 10 -0.461 -16.732 3.415
74 H GLN 11 H GLN 11 0.025 -15.205 -2.571
75 HA GLN 11 HA GLN 11 -2.249 -16.828 -2.548
76 HB2 GLN 11 2HB GLN 11 -2.471 -14.441 -2.389
77 HB3 GLN 11 3HB GLN 11 -1.708 -14.214 -3.957
78 HG2 GLN 11 2HG GLN 11 -4.058 -15.918 -4.085
79 HG3 GLN 11 3HG GLN 11 -4.406 -14.307 -3.461
80 HE21 GLN 11 1HE2 GLN 11 -4.988 -15.726 -6.052
81 HE22 GLN 11 2HE2 GLN 11 -4.455 -14.625 -7.272
82 H MET 12 H MET 12 0.143 -16.294 -5.002
83 HA MET 12 HA MET 12 -1.493 -17.528 -7.072
84 HB2 MET 12 2HB MET 12 0.783 -15.772 -7.018
85 HB3 MET 12 3HB MET 12 1.153 -17.188 -7.993
86 HG2 MET 12 2HG MET 12 -0.932 -16.783 -9.273
87 HG3 MET 12 3HG MET 12 -1.153 -15.292 -8.359
88 HE1 MET 12 3HE MET 12 -0.494 -14.474 -11.917
89 HE2 MET 12 1HE MET 12 -1.575 -14.465 -10.523
90 HE3 MET 12 2HE MET 12 -0.423 -13.150 -10.753
91 H ALA 13 H ALA 13 1.166 -18.284 -4.944
92 HA ALA 13 HA ALA 13 2.272 -20.505 -6.159
93 HB1 ALA 13 1HB ALA 13 2.541 -19.258 -3.720
94 HB2 ALA 13 2HB ALA 13 1.955 -20.865 -3.289
95 HB3 ALA 13 3HB ALA 13 3.420 -20.691 -4.254
96 H TYR 14 H TYR 14 -0.661 -20.281 -4.200
97 HA TYR 14 HA TYR 14 -1.154 -23.138 -4.504
98 HB2 TYR 14 2HB TYR 14 -2.573 -22.972 -2.728
99 HB3 TYR 14 3HB TYR 14 -1.618 -21.529 -2.408
100 HD1 TYR 14 HD1 TYR 14 -2.513 -19.310 -3.422
101 HD2 TYR 14 HD2 TYR 14 -4.884 -22.806 -2.913
102 HE1 TYR 14 HE1 TYR 14 -4.550 -17.936 -3.519
103 HE2 TYR 14 HE2 TYR 14 -6.928 -21.442 -3.010
104 HH TYR 14 HH TYR 14 -6.767 -17.925 -3.493
105 H ARG 15 H ARG 15 -2.259 -20.069 -5.728
106 HA ARG 15 HA ARG 15 -4.722 -20.774 -6.804
107 HB2 ARG 15 2HB ARG 15 -3.860 -18.466 -6.720
108 HB3 ARG 15 3HB ARG 15 -2.682 -18.867 -7.963
109 HG2 ARG 15 2HG ARG 15 -5.224 -19.599 -8.952
110 HG3 ARG 15 3HG ARG 15 -5.367 -17.981 -8.261
111 HD2 ARG 15 2HD ARG 15 -4.615 -17.337 -10.286
112 HD3 ARG 15 3HD ARG 15 -3.041 -17.727 -9.595
113 HE ARG 15 HE ARG 15 -4.075 -20.052 -10.736
114 HH11 ARG 15 1HH1 ARG 15 -2.965 -16.904 -11.727
115 HH12 ARG 15 2HH1 ARG 15 -2.437 -17.438 -13.288
116 HH21 ARG 15 1HH2 ARG 15 -3.384 -20.767 -12.789
117 HH22 ARG 15 2HH2 ARG 15 -2.677 -19.635 -13.892
118 H PHE 16 H PHE 16 -1.550 -21.694 -7.767
119 HA PHE 16 HA PHE 16 -1.794 -22.198 -10.463
120 HB2 PHE 16 2HB PHE 16 -0.373 -23.878 -8.387
121 HB3 PHE 16 3HB PHE 16 -0.118 -23.996 -10.125
122 HD1 PHE 16 HD1 PHE 16 -0.475 -20.832 -10.344
123 HD2 PHE 16 HD2 PHE 16 2.031 -23.447 -8.109
124 HE1 PHE 16 HE1 PHE 16 1.239 -19.071 -10.212
125 HE2 PHE 16 HE2 PHE 16 3.748 -21.691 -7.972
126 HZ PHE 16 HZ PHE 16 3.353 -19.499 -9.024
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.428 -0.120 1.724
2 HA2 GLY 1 2HA GLY 1 1.741 0.701 -1.011
3 HA3 GLY 1 3HA GLY 1 3.365 0.593 -0.347
4 H ALA 2 H ALA 2 4.162 -1.614 0.152
5 HA ALA 2 HA ALA 2 3.323 -3.444 -1.978
6 HB1 ALA 2 1HB ALA 2 5.462 -4.197 -2.098
7 HB2 ALA 2 2HB ALA 2 5.785 -2.595 -1.433
8 HB3 ALA 2 3HB ALA 2 5.747 -4.000 -0.368
9 H ALA 3 H ALA 3 1.840 -3.138 0.539
10 HA ALA 3 HA ALA 3 2.383 -5.379 2.213
11 HB1 ALA 3 1HB ALA 3 -0.089 -3.675 1.936
12 HB2 ALA 3 2HB ALA 3 0.165 -4.886 3.194
13 HB3 ALA 3 3HB ALA 3 1.215 -3.472 3.107
14 H LEU 4 H LEU 4 0.608 -4.918 -0.723
15 HA LEU 4 HA LEU 4 -0.839 -7.424 -0.450
16 HB2 LEU 4 2HB LEU 4 -1.754 -6.851 -2.674
17 HB3 LEU 4 3HB LEU 4 -2.036 -5.613 -1.452
18 HG LEU 4 HG LEU 4 0.339 -4.873 -2.744
19 HD11 LEU 4 1HD1 LEU 4 0.100 -6.137 -4.651
20 HD12 LEU 4 2HD1 LEU 4 -0.743 -4.657 -5.106
21 HD13 LEU 4 3HD1 LEU 4 -1.662 -6.075 -4.603
22 HD21 LEU 4 3HD2 LEU 4 -1.389 -3.163 -3.771
23 HD22 LEU 4 1HD2 LEU 4 -0.976 -3.137 -2.056
24 HD23 LEU 4 2HD2 LEU 4 -2.470 -3.907 -2.592
25 H GLN 5 H GLN 5 2.146 -6.335 -1.638
26 HA GLN 5 HA GLN 5 2.488 -8.228 -3.747
27 HB2 GLN 5 2HB GLN 5 3.833 -5.981 -2.929
28 HB3 GLN 5 3HB GLN 5 4.928 -7.264 -2.434
29 HG2 GLN 5 2HG GLN 5 3.878 -7.589 -5.138
30 HG3 GLN 5 3HG GLN 5 4.833 -6.125 -4.908
31 HE21 GLN 5 1HE2 GLN 5 5.165 -8.957 -6.163
32 HE22 GLN 5 2HE2 GLN 5 6.761 -9.399 -5.670
33 H ILE 6 H ILE 6 2.620 -8.421 -0.350
34 HA ILE 6 HA ILE 6 4.474 -10.618 -0.203
35 HB ILE 6 HB ILE 6 2.791 -9.132 1.747
36 HG12 ILE 6 2HG1 ILE 6 4.995 -9.270 3.012
37 HG13 ILE 6 3HG1 ILE 6 5.670 -10.026 1.573
38 HG21 ILE 6 1HG2 ILE 6 3.529 -10.905 3.469
39 HG22 ILE 6 2HG2 ILE 6 2.116 -11.234 2.468
40 HG23 ILE 6 3HG2 ILE 6 3.666 -11.976 2.075
41 HD11 ILE 6 3HD1 ILE 6 5.972 -7.498 1.918
42 HD12 ILE 6 1HD1 ILE 6 5.503 -8.088 0.324
43 HD13 ILE 6 2HD1 ILE 6 4.292 -7.382 1.395
44 HA PRO 7 HA PRO 7 0.430 -13.125 0.643
45 HB2 PRO 7 2HB PRO 7 -1.932 -11.870 0.177
46 HB3 PRO 7 3HB PRO 7 -1.116 -11.829 1.744
47 HG2 PRO 7 2HG PRO 7 -1.140 -9.775 -0.433
48 HG3 PRO 7 3HG PRO 7 -1.291 -9.550 1.319
49 HD2 PRO 7 2HD PRO 7 1.029 -9.123 -0.009
50 HD3 PRO 7 3HD PRO 7 0.982 -9.715 1.664
51 H PHE 8 H PHE 8 0.853 -10.977 -2.013
52 HA PHE 8 HA PHE 8 -0.875 -12.275 -3.866
53 HB2 PHE 8 2HB PHE 8 -0.224 -10.005 -4.303
54 HB3 PHE 8 3HB PHE 8 1.484 -10.428 -4.251
55 HD1 PHE 8 HD2 PHE 8 -1.355 -12.078 -6.002
56 HD2 PHE 8 HD1 PHE 8 2.325 -9.968 -6.352
57 HE1 PHE 8 HE2 PHE 8 -1.378 -12.448 -8.434
58 HE2 PHE 8 HE1 PHE 8 2.307 -10.334 -8.785
59 HZ PHE 8 HZ PHE 8 0.455 -11.576 -9.829
60 H ALA 9 H ALA 9 2.465 -12.702 -2.901
61 HA ALA 9 HA ALA 9 3.096 -14.524 -5.034
62 HB1 ALA 9 1HB ALA 9 4.543 -13.090 -3.075
63 HB2 ALA 9 2HB ALA 9 4.902 -14.802 -2.849
64 HB3 ALA 9 3HB ALA 9 5.171 -14.045 -4.419
65 H MET 10 H MET 10 1.698 -14.754 -1.886
66 HA MET 10 HA MET 10 2.166 -17.626 -1.712
67 HB2 MET 10 2HB MET 10 2.335 -16.113 0.294
68 HB3 MET 10 3HB MET 10 0.596 -15.874 0.182
69 HG2 MET 10 2HG MET 10 1.223 -18.676 0.158
70 HG3 MET 10 3HG MET 10 1.961 -17.888 1.550
71 HE1 MET 10 3HE MET 10 -0.938 -16.606 3.635
72 HE2 MET 10 1HE MET 10 0.803 -16.800 3.427
73 HE3 MET 10 2HE MET 10 -0.071 -15.606 2.468
74 H GLN 11 H GLN 11 -0.385 -15.345 -2.420
75 HA GLN 11 HA GLN 11 -2.504 -17.272 -2.316
76 HB2 GLN 11 2HB GLN 11 -3.926 -15.532 -3.069
77 HB3 GLN 11 3HB GLN 11 -2.756 -14.772 -1.998
78 HG2 GLN 11 2HG GLN 11 -2.592 -13.278 -3.657
79 HG3 GLN 11 3HG GLN 11 -1.502 -14.472 -4.359
80 HE21 GLN 11 1HE2 GLN 11 -3.236 -12.446 -5.612
81 HE22 GLN 11 2HE2 GLN 11 -4.238 -13.316 -6.718
82 H MET 12 H MET 12 -0.269 -16.140 -4.727
83 HA MET 12 HA MET 12 -1.742 -17.421 -6.889
84 HB2 MET 12 2HB MET 12 -0.189 -15.189 -6.839
85 HB3 MET 12 3HB MET 12 0.966 -16.381 -7.420
86 HG2 MET 12 2HG MET 12 -0.722 -17.008 -9.171
87 HG3 MET 12 3HG MET 12 -1.654 -15.602 -8.663
88 HE1 MET 12 3HE MET 12 -0.567 -14.307 -11.907
89 HE2 MET 12 1HE MET 12 0.132 -15.925 -11.981
90 HE3 MET 12 2HE MET 12 -1.442 -15.679 -11.225
91 H ALA 13 H ALA 13 1.038 -17.949 -4.857
92 HA ALA 13 HA ALA 13 2.456 -19.836 -6.305
93 HB1 ALA 13 1HB ALA 13 2.897 -20.783 -3.879
94 HB2 ALA 13 2HB ALA 13 3.565 -19.236 -4.402
95 HB3 ALA 13 3HB ALA 13 2.109 -19.277 -3.407
96 H TYR 14 H TYR 14 -0.418 -20.258 -4.295
97 HA TYR 14 HA TYR 14 -0.459 -23.120 -4.848
98 HB2 TYR 14 2HB TYR 14 -1.839 -23.340 -3.047
99 HB3 TYR 14 3HB TYR 14 -1.115 -21.796 -2.610
100 HD1 TYR 14 HD1 TYR 14 -2.376 -19.669 -3.409
101 HD2 TYR 14 HD2 TYR 14 -4.151 -23.529 -3.184
102 HE1 TYR 14 HE1 TYR 14 -4.606 -18.633 -3.355
103 HE2 TYR 14 HE2 TYR 14 -6.387 -22.504 -3.131
104 HH TYR 14 HH TYR 14 -7.452 -20.437 -2.627
105 H ARG 15 H ARG 15 -2.067 -20.173 -5.779
106 HA ARG 15 HA ARG 15 -4.417 -21.167 -6.881
107 HB2 ARG 15 2HB ARG 15 -3.923 -18.766 -6.600
108 HB3 ARG 15 3HB ARG 15 -2.738 -18.867 -7.896
109 HG2 ARG 15 2HG ARG 15 -5.156 -19.905 -8.908
110 HG3 ARG 15 3HG ARG 15 -5.541 -18.406 -8.061
111 HD2 ARG 15 2HD ARG 15 -4.470 -17.131 -9.573
112 HD3 ARG 15 3HD ARG 15 -3.144 -18.281 -9.746
113 HE ARG 15 HE ARG 15 -5.156 -19.525 -11.022
114 HH11 ARG 15 1HH1 ARG 15 -3.890 -16.289 -11.231
115 HH12 ARG 15 2HH1 ARG 15 -4.302 -16.096 -12.902
116 HH21 ARG 15 1HH2 ARG 15 -5.703 -19.283 -13.223
117 HH22 ARG 15 2HH2 ARG 15 -5.334 -17.799 -14.034
118 H PHE 16 H PHE 16 -1.167 -21.485 -7.961
119 HA PHE 16 HA PHE 16 -1.398 -21.785 -10.689
120 HB2 PHE 16 2HB PHE 16 0.321 -23.392 -8.788
121 HB3 PHE 16 3HB PHE 16 0.545 -23.321 -10.533
122 HD1 PHE 16 HD2 PHE 16 -0.300 -20.246 -10.477
123 HD2 PHE 16 HD1 PHE 16 2.630 -22.613 -8.494
124 HE1 PHE 16 HE2 PHE 16 1.122 -18.256 -10.211
125 HE2 PHE 16 HE1 PHE 16 4.056 -20.626 -8.224
126 HZ PHE 16 HZ PHE 16 3.304 -18.445 -9.084
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.352 -1.684 -5.596
2 HA2 GLY 1 2HA GLY 1 1.844 -1.557 -2.865
3 HA3 GLY 1 3HA GLY 1 1.150 -2.748 -3.955
4 H ALA 2 H ALA 2 4.238 -2.066 -2.308
5 HA ALA 2 HA ALA 2 5.239 -4.668 -2.367
6 HB1 ALA 2 1HB ALA 2 5.838 -2.198 -0.915
7 HB2 ALA 2 2HB ALA 2 6.292 -3.672 -0.058
8 HB3 ALA 2 3HB ALA 2 6.923 -3.363 -1.676
9 H ALA 3 H ALA 3 2.916 -3.166 -0.235
10 HA ALA 3 HA ALA 3 2.986 -5.156 1.800
11 HB1 ALA 3 1HB ALA 3 2.113 -3.125 2.510
12 HB2 ALA 3 2HB ALA 3 1.079 -2.960 1.091
13 HB3 ALA 3 3HB ALA 3 0.678 -4.138 2.341
14 H LEU 4 H LEU 4 1.330 -4.839 -1.247
15 HA LEU 4 HA LEU 4 -0.475 -7.043 -0.671
16 HB2 LEU 4 2HB LEU 4 -0.077 -5.285 -3.079
17 HB3 LEU 4 3HB LEU 4 -1.192 -6.649 -3.061
18 HG LEU 4 HG LEU 4 -1.646 -4.824 -0.844
19 HD11 LEU 4 1HD1 LEU 4 -2.419 -3.649 -3.462
20 HD12 LEU 4 2HD1 LEU 4 -0.775 -3.391 -2.879
21 HD13 LEU 4 3HD1 LEU 4 -2.148 -2.868 -1.904
22 HD21 LEU 4 3HD2 LEU 4 -3.925 -5.053 -1.538
23 HD22 LEU 4 1HD2 LEU 4 -3.154 -6.634 -1.660
24 HD23 LEU 4 2HD2 LEU 4 -3.437 -5.677 -3.114
25 H GLN 5 H GLN 5 2.635 -6.575 -1.950
26 HA GLN 5 HA GLN 5 2.664 -8.802 -3.751
27 HB2 GLN 5 2HB GLN 5 4.602 -6.817 -2.750
28 HB3 GLN 5 3HB GLN 5 5.287 -8.380 -3.172
29 HG2 GLN 5 2HG GLN 5 4.156 -8.171 -5.396
30 HG3 GLN 5 3HG GLN 5 3.740 -6.517 -4.951
31 HE21 GLN 5 1HE2 GLN 5 5.502 -7.691 -7.063
32 HE22 GLN 5 2HE2 GLN 5 7.015 -6.882 -6.871
33 H ILE 6 H ILE 6 2.859 -8.458 -0.373
34 HA ILE 6 HA ILE 6 4.459 -10.786 0.144
35 HB ILE 6 HB ILE 6 2.927 -8.855 1.808
36 HG12 ILE 6 2HG1 ILE 6 5.535 -10.024 2.609
37 HG13 ILE 6 3HG1 ILE 6 5.525 -9.057 1.138
38 HG21 ILE 6 1HG2 ILE 6 3.517 -11.683 2.595
39 HG22 ILE 6 2HG2 ILE 6 3.472 -10.397 3.799
40 HG23 ILE 6 3HG2 ILE 6 2.042 -10.747 2.829
41 HD11 ILE 6 3HD1 ILE 6 6.100 -7.618 2.920
42 HD12 ILE 6 1HD1 ILE 6 4.439 -7.233 2.470
43 HD13 ILE 6 2HD1 ILE 6 4.762 -8.198 3.911
44 HA PRO 7 HA PRO 7 0.175 -12.713 1.287
45 HB2 PRO 7 2HB PRO 7 -2.043 -11.327 0.559
46 HB3 PRO 7 3HB PRO 7 -1.244 -11.109 2.121
47 HG2 PRO 7 2HG PRO 7 -1.036 -9.448 -0.361
48 HG3 PRO 7 3HG PRO 7 -1.184 -8.924 1.327
49 HD2 PRO 7 2HD PRO 7 1.183 -8.951 0.011
50 HD3 PRO 7 3HD PRO 7 1.057 -9.253 1.756
51 H PHE 8 H PHE 8 -0.190 -10.672 -1.618
52 HA PHE 8 HA PHE 8 -1.600 -12.500 -3.175
53 HB2 PHE 8 2HB PHE 8 -1.366 -10.151 -3.803
54 HB3 PHE 8 3HB PHE 8 0.361 -10.374 -4.063
55 HD1 PHE 8 HD2 PHE 8 -2.472 -12.549 -5.085
56 HD2 PHE 8 HD1 PHE 8 0.674 -9.964 -6.322
57 HE1 PHE 8 HE2 PHE 8 -2.907 -13.148 -7.432
58 HE2 PHE 8 HE1 PHE 8 0.244 -10.557 -8.671
59 HZ PHE 8 HZ PHE 8 -1.548 -12.152 -9.228
60 H ALA 9 H ALA 9 1.840 -12.195 -2.570
61 HA ALA 9 HA ALA 9 2.907 -13.744 -4.590
62 HB1 ALA 9 1HB ALA 9 4.393 -14.445 -2.356
63 HB2 ALA 9 2HB ALA 9 4.692 -13.084 -3.437
64 HB3 ALA 9 3HB ALA 9 3.745 -12.851 -1.968
65 H MET 10 H MET 10 1.912 -14.897 -1.360
66 HA MET 10 HA MET 10 2.256 -17.637 -1.989
67 HB2 MET 10 2HB MET 10 1.949 -16.297 0.319
68 HB3 MET 10 3HB MET 10 0.302 -16.879 0.112
69 HG2 MET 10 2HG MET 10 1.019 -19.145 0.100
70 HG3 MET 10 3HG MET 10 2.713 -18.668 0.016
71 HE1 MET 10 3HE MET 10 -0.124 -18.842 3.499
72 HE2 MET 10 1HE MET 10 -0.100 -17.193 2.873
73 HE3 MET 10 2HE MET 10 -0.508 -18.536 1.805
74 H GLN 11 H GLN 11 -0.503 -15.451 -2.121
75 HA GLN 11 HA GLN 11 -2.541 -17.306 -2.519
76 HB2 GLN 11 2HB GLN 11 -2.774 -14.815 -2.137
77 HB3 GLN 11 3HB GLN 11 -2.397 -14.598 -3.841
78 HG2 GLN 11 2HG GLN 11 -4.520 -16.532 -3.398
79 HG3 GLN 11 3HG GLN 11 -4.899 -14.933 -2.758
80 HE21 GLN 11 1HE2 GLN 11 -4.335 -16.829 -5.587
81 HE22 GLN 11 2HE2 GLN 11 -4.796 -15.630 -6.742
82 H MET 12 H MET 12 -0.050 -16.208 -4.662
83 HA MET 12 HA MET 12 -1.365 -17.331 -7.007
84 HB2 MET 12 2HB MET 12 0.588 -15.312 -6.562
85 HB3 MET 12 3HB MET 12 1.334 -16.567 -7.542
86 HG2 MET 12 2HG MET 12 -0.636 -16.410 -9.078
87 HG3 MET 12 3HG MET 12 -1.154 -15.000 -8.157
88 HE1 MET 12 3HE MET 12 0.012 -16.207 -10.980
89 HE2 MET 12 1HE MET 12 0.155 -14.633 -11.762
90 HE3 MET 12 2HE MET 12 1.600 -15.590 -11.437
91 H ALA 13 H ALA 13 1.174 -18.076 -4.738
92 HA ALA 13 HA ALA 13 2.622 -19.994 -6.114
93 HB1 ALA 13 1HB ALA 13 3.155 -19.079 -3.855
94 HB2 ALA 13 2HB ALA 13 1.913 -20.141 -3.190
95 HB3 ALA 13 3HB ALA 13 3.327 -20.829 -3.989
96 H TYR 14 H TYR 14 -0.447 -20.315 -4.396
97 HA TYR 14 HA TYR 14 -0.586 -23.152 -5.051
98 HB2 TYR 14 2HB TYR 14 -2.138 -23.350 -3.393
99 HB3 TYR 14 3HB TYR 14 -1.377 -21.864 -2.836
100 HD1 TYR 14 HD1 TYR 14 -2.443 -19.646 -3.686
101 HD2 TYR 14 HD2 TYR 14 -4.435 -23.405 -3.732
102 HE1 TYR 14 HE1 TYR 14 -4.611 -18.489 -3.798
103 HE2 TYR 14 HE2 TYR 14 -6.608 -22.259 -3.846
104 HH TYR 14 HH TYR 14 -6.813 -18.711 -3.915
105 H ARG 15 H ARG 15 -1.924 -20.094 -6.035
106 HA ARG 15 HA ARG 15 -4.217 -20.918 -7.376
107 HB2 ARG 15 2HB ARG 15 -3.660 -18.563 -6.983
108 HB3 ARG 15 3HB ARG 15 -2.318 -18.684 -8.113
109 HG2 ARG 15 2HG ARG 15 -3.969 -19.238 -9.899
110 HG3 ARG 15 3HG ARG 15 -5.253 -18.889 -8.739
111 HD2 ARG 15 2HD ARG 15 -5.123 -16.792 -9.511
112 HD3 ARG 15 3HD ARG 15 -3.668 -16.675 -8.521
113 HE ARG 15 HE ARG 15 -2.890 -17.720 -10.965
114 HH11 ARG 15 1HH1 ARG 15 -4.323 -14.787 -9.754
115 HH12 ARG 15 2HH1 ARG 15 -3.646 -13.789 -10.998
116 HH21 ARG 15 1HH2 ARG 15 -1.994 -16.416 -12.608
117 HH22 ARG 15 2HH2 ARG 15 -2.322 -14.716 -12.621
118 H PHE 16 H PHE 16 -0.905 -21.403 -8.159
119 HA PHE 16 HA PHE 16 -0.894 -21.607 -10.906
120 HB2 PHE 16 2HB PHE 16 0.545 -23.370 -8.912
121 HB3 PHE 16 3HB PHE 16 0.939 -23.256 -10.625
122 HD1 PHE 16 HD1 PHE 16 0.265 -20.142 -10.537
123 HD2 PHE 16 HD2 PHE 16 2.853 -22.734 -8.370
124 HE1 PHE 16 HE1 PHE 16 1.762 -18.247 -10.066
125 HE2 PHE 16 HE2 PHE 16 4.354 -20.844 -7.895
126 HZ PHE 16 HZ PHE 16 3.809 -18.597 -8.742
Start of MODEL 9
1 H1 GLY 1 H GLY 1 1.067 -0.479 -1.416
2 HA2 GLY 1 2HA GLY 1 0.902 -2.397 -3.647
3 HA3 GLY 1 3HA GLY 1 2.020 -1.044 -3.556
4 H ALA 2 H ALA 2 2.996 -1.403 -0.964
5 HA ALA 2 HA ALA 2 4.849 -3.562 -1.436
6 HB1 ALA 2 1HB ALA 2 5.824 -2.752 0.766
7 HB2 ALA 2 2HB ALA 2 5.829 -1.606 -0.575
8 HB3 ALA 2 3HB ALA 2 4.621 -1.464 0.702
9 H ALA 3 H ALA 3 2.061 -2.970 0.567
10 HA ALA 3 HA ALA 3 2.537 -5.204 2.322
11 HB1 ALA 3 1HB ALA 3 0.777 -2.963 2.254
12 HB2 ALA 3 2HB ALA 3 -0.179 -4.434 2.434
13 HB3 ALA 3 3HB ALA 3 1.108 -4.072 3.584
14 H LEU 4 H LEU 4 0.958 -4.667 -0.712
15 HA LEU 4 HA LEU 4 -0.531 -7.160 -0.580
16 HB2 LEU 4 2HB LEU 4 -0.284 -5.020 -2.679
17 HB3 LEU 4 3HB LEU 4 -1.185 -6.513 -2.932
18 HG LEU 4 HG LEU 4 -1.859 -4.751 -0.613
19 HD11 LEU 4 1HD1 LEU 4 -2.782 -4.339 -3.453
20 HD12 LEU 4 2HD1 LEU 4 -1.800 -3.230 -2.497
21 HD13 LEU 4 3HD1 LEU 4 -3.469 -3.556 -2.030
22 HD21 LEU 4 3HD2 LEU 4 -3.885 -5.850 -0.639
23 HD22 LEU 4 1HD2 LEU 4 -2.785 -7.125 -1.162
24 HD23 LEU 4 2HD2 LEU 4 -3.762 -6.262 -2.350
25 H GLN 5 H GLN 5 2.536 -6.086 -1.554
26 HA GLN 5 HA GLN 5 2.991 -7.943 -3.673
27 HB2 GLN 5 2HB GLN 5 4.266 -5.726 -2.963
28 HB3 GLN 5 3HB GLN 5 5.250 -6.864 -2.053
29 HG2 GLN 5 2HG GLN 5 6.192 -7.746 -3.902
30 HG3 GLN 5 3HG GLN 5 4.732 -7.553 -4.872
31 HE21 GLN 5 1HE2 GLN 5 7.645 -6.047 -3.738
32 HE22 GLN 5 2HE2 GLN 5 7.610 -4.697 -4.815
33 H ILE 6 H ILE 6 2.903 -8.201 -0.278
34 HA ILE 6 HA ILE 6 4.721 -10.421 -0.055
35 HB ILE 6 HB ILE 6 2.932 -8.952 1.811
36 HG12 ILE 6 2HG1 ILE 6 5.097 -9.261 3.210
37 HG13 ILE 6 3HG1 ILE 6 5.814 -9.803 1.696
38 HG21 ILE 6 1HG2 ILE 6 3.755 -11.812 2.140
39 HG22 ILE 6 2HG2 ILE 6 3.541 -10.765 3.542
40 HG23 ILE 6 3HG2 ILE 6 2.190 -11.060 2.448
41 HD11 ILE 6 3HD1 ILE 6 5.009 -7.614 0.707
42 HD12 ILE 6 1HD1 ILE 6 4.697 -7.104 2.366
43 HD13 ILE 6 2HD1 ILE 6 6.335 -7.528 1.866
44 HA PRO 7 HA PRO 7 0.603 -12.895 0.483
45 HB2 PRO 7 2HB PRO 7 -1.710 -11.604 -0.109
46 HB3 PRO 7 3HB PRO 7 -0.996 -11.602 1.507
47 HG2 PRO 7 2HG PRO 7 -0.858 -9.507 -0.627
48 HG3 PRO 7 3HG PRO 7 -1.119 -9.313 1.116
49 HD2 PRO 7 2HD PRO 7 1.287 -8.889 -0.053
50 HD3 PRO 7 3HD PRO 7 1.125 -9.512 1.602
51 H PHE 8 H PHE 8 1.196 -10.690 -2.100
52 HA PHE 8 HA PHE 8 -0.422 -11.908 -4.087
53 HB2 PHE 8 2HB PHE 8 0.352 -9.657 -4.430
54 HB3 PHE 8 3HB PHE 8 2.033 -10.159 -4.287
55 HD1 PHE 8 HD2 PHE 8 -0.780 -11.620 -6.238
56 HD2 PHE 8 HD1 PHE 8 3.031 -9.726 -6.321
57 HE1 PHE 8 HE2 PHE 8 -0.675 -11.946 -8.674
58 HE2 PHE 8 HE1 PHE 8 3.141 -10.048 -8.758
59 HZ PHE 8 HZ PHE 8 1.287 -11.160 -9.938
60 H ALA 9 H ALA 9 2.817 -12.495 -2.895
61 HA ALA 9 HA ALA 9 3.596 -14.247 -5.014
62 HB1 ALA 9 1HB ALA 9 4.802 -13.115 -2.675
63 HB2 ALA 9 2HB ALA 9 5.118 -14.850 -2.731
64 HB3 ALA 9 3HB ALA 9 5.571 -13.827 -4.094
65 H MET 10 H MET 10 1.930 -14.622 -1.973
66 HA MET 10 HA MET 10 2.149 -17.514 -2.018
67 HB2 MET 10 2HB MET 10 1.676 -15.585 -0.030
68 HB3 MET 10 3HB MET 10 0.188 -16.514 -0.153
69 HG2 MET 10 2HG MET 10 2.300 -18.370 -0.182
70 HG3 MET 10 3HG MET 10 2.657 -17.210 1.095
71 HE1 MET 10 3HE MET 10 0.988 -20.602 2.533
72 HE2 MET 10 1HE MET 10 1.156 -20.651 0.777
73 HE3 MET 10 2HE MET 10 2.466 -20.012 1.770
74 H GLN 11 H GLN 11 -0.211 -15.025 -2.752
75 HA GLN 11 HA GLN 11 -2.491 -16.645 -2.961
76 HB2 GLN 11 2HB GLN 11 -2.705 -14.247 -2.893
77 HB3 GLN 11 3HB GLN 11 -1.762 -14.074 -4.367
78 HG2 GLN 11 2HG GLN 11 -4.086 -15.777 -4.722
79 HG3 GLN 11 3HG GLN 11 -4.504 -14.152 -4.183
80 HE21 GLN 11 1HE2 GLN 11 -3.878 -16.054 -6.819
81 HE22 GLN 11 2HE2 GLN 11 -3.554 -14.819 -7.983
82 H MET 12 H MET 12 0.216 -16.191 -5.077
83 HA MET 12 HA MET 12 -1.137 -17.479 -7.314
84 HB2 MET 12 2HB MET 12 0.742 -15.519 -7.246
85 HB3 MET 12 3HB MET 12 1.757 -16.932 -7.502
86 HG2 MET 12 2HG MET 12 1.083 -17.184 -9.615
87 HG3 MET 12 3HG MET 12 -0.600 -16.843 -9.221
88 HE1 MET 12 3HE MET 12 -1.285 -14.559 -11.259
89 HE2 MET 12 1HE MET 12 -1.769 -15.190 -9.685
90 HE3 MET 12 2HE MET 12 -1.352 -13.485 -9.860
91 H ALA 13 H ALA 13 1.037 -18.222 -4.738
92 HA ALA 13 HA ALA 13 2.335 -20.474 -5.791
93 HB1 ALA 13 1HB ALA 13 2.782 -21.091 -3.476
94 HB2 ALA 13 2HB ALA 13 3.046 -19.366 -3.733
95 HB3 ALA 13 3HB ALA 13 1.582 -19.923 -2.923
96 H TYR 14 H TYR 14 -0.800 -20.101 -4.228
97 HA TYR 14 HA TYR 14 -1.293 -22.970 -4.353
98 HB2 TYR 14 2HB TYR 14 -2.938 -22.644 -2.810
99 HB3 TYR 14 3HB TYR 14 -2.014 -21.181 -2.489
100 HD1 TYR 14 HD1 TYR 14 -2.732 -19.053 -3.781
101 HD2 TYR 14 HD2 TYR 14 -5.197 -22.494 -3.349
102 HE1 TYR 14 HE1 TYR 14 -4.716 -17.686 -4.276
103 HE2 TYR 14 HE2 TYR 14 -7.188 -21.137 -3.844
104 HH TYR 14 HH TYR 14 -6.956 -17.637 -4.308
105 H ARG 15 H ARG 15 -2.179 -20.015 -5.976
106 HA ARG 15 HA ARG 15 -4.477 -20.833 -7.322
107 HB2 ARG 15 2HB ARG 15 -2.760 -18.604 -7.363
108 HB3 ARG 15 3HB ARG 15 -2.832 -19.186 -9.021
109 HG2 ARG 15 2HG ARG 15 -5.300 -18.700 -7.384
110 HG3 ARG 15 3HG ARG 15 -4.529 -17.434 -8.342
111 HD2 ARG 15 2HD ARG 15 -4.880 -19.869 -9.866
112 HD3 ARG 15 3HD ARG 15 -6.411 -19.282 -9.219
113 HE ARG 15 HE ARG 15 -5.025 -17.130 -10.366
114 HH11 ARG 15 1HH1 ARG 15 -6.656 -20.062 -11.295
115 HH12 ARG 15 2HH1 ARG 15 -7.114 -19.467 -12.857
116 HH21 ARG 15 1HH2 ARG 15 -5.622 -16.335 -12.418
117 HH22 ARG 15 2HH2 ARG 15 -6.524 -17.347 -13.495
118 H PHE 16 H PHE 16 -1.203 -21.781 -7.747
119 HA PHE 16 HA PHE 16 -1.047 -22.468 -10.410
120 HB2 PHE 16 2HB PHE 16 0.062 -23.948 -8.017
121 HB3 PHE 16 3HB PHE 16 0.540 -24.256 -9.683
122 HD1 PHE 16 HD2 PHE 16 0.279 -21.153 -10.323
123 HD2 PHE 16 HD1 PHE 16 2.391 -23.468 -7.442
124 HE1 PHE 16 HE2 PHE 16 1.984 -19.387 -10.159
125 HE2 PHE 16 HE1 PHE 16 4.099 -21.705 -7.273
126 HZ PHE 16 HZ PHE 16 3.898 -19.662 -8.634
Start of MODEL 10
1 H1 GLY 1 H GLY 1 0.510 -0.210 -1.667
2 HA2 GLY 1 2HA GLY 1 0.633 -2.363 -3.386
3 HA3 GLY 1 3HA GLY 1 1.810 -1.058 -3.362
4 H ALA 2 H ALA 2 2.925 -1.502 -0.826
5 HA ALA 2 HA ALA 2 4.688 -3.689 -1.457
6 HB1 ALA 2 1HB ALA 2 6.141 -2.755 0.003
7 HB2 ALA 2 2HB ALA 2 5.109 -1.344 -0.237
8 HB3 ALA 2 3HB ALA 2 4.884 -2.370 1.180
9 H ALA 3 H ALA 3 2.032 -3.103 0.731
10 HA ALA 3 HA ALA 3 2.518 -5.394 2.384
11 HB1 ALA 3 1HB ALA 3 0.442 -3.302 2.181
12 HB2 ALA 3 2HB ALA 3 -0.057 -4.843 2.881
13 HB3 ALA 3 3HB ALA 3 1.279 -3.941 3.596
14 H LEU 4 H LEU 4 0.881 -4.798 -0.608
15 HA LEU 4 HA LEU 4 -0.600 -7.298 -0.500
16 HB2 LEU 4 2HB LEU 4 -0.493 -4.963 -2.345
17 HB3 LEU 4 3HB LEU 4 -1.080 -6.504 -2.966
18 HG LEU 4 HG LEU 4 -2.374 -5.794 -0.472
19 HD11 LEU 4 1HD1 LEU 4 -2.391 -3.807 -2.719
20 HD12 LEU 4 2HD1 LEU 4 -2.156 -3.525 -0.995
21 HD13 LEU 4 3HD1 LEU 4 -3.750 -3.967 -1.606
22 HD21 LEU 4 3HD2 LEU 4 -4.385 -6.161 -1.883
23 HD22 LEU 4 1HD2 LEU 4 -3.233 -7.495 -1.930
24 HD23 LEU 4 2HD2 LEU 4 -3.322 -6.360 -3.277
25 H GLN 5 H GLN 5 2.446 -6.195 -1.508
26 HA GLN 5 HA GLN 5 2.865 -8.006 -3.674
27 HB2 GLN 5 2HB GLN 5 4.156 -5.799 -2.884
28 HB3 GLN 5 3HB GLN 5 5.179 -6.999 -2.104
29 HG2 GLN 5 2HG GLN 5 5.339 -8.130 -4.360
30 HG3 GLN 5 3HG GLN 5 4.600 -6.677 -5.030
31 HE21 GLN 5 1HE2 GLN 5 7.457 -8.168 -4.424
32 HE22 GLN 5 2HE2 GLN 5 8.507 -6.796 -4.414
33 H ILE 6 H ILE 6 2.841 -8.335 -0.284
34 HA ILE 6 HA ILE 6 4.667 -10.556 -0.142
35 HB ILE 6 HB ILE 6 2.911 -9.130 1.788
36 HG12 ILE 6 2HG1 ILE 6 5.346 -9.930 2.933
37 HG13 ILE 6 3HG1 ILE 6 5.728 -9.521 1.264
38 HG21 ILE 6 1HG2 ILE 6 3.745 -11.995 2.041
39 HG22 ILE 6 2HG2 ILE 6 3.555 -10.978 3.469
40 HG23 ILE 6 3HG2 ILE 6 2.185 -11.253 2.394
41 HD11 ILE 6 3HD1 ILE 6 4.315 -7.735 3.230
42 HD12 ILE 6 1HD1 ILE 6 6.007 -7.614 2.749
43 HD13 ILE 6 2HD1 ILE 6 4.730 -7.325 1.566
44 HA PRO 7 HA PRO 7 0.565 -13.050 0.421
45 HB2 PRO 7 2HB PRO 7 -1.761 -11.752 -0.100
46 HB3 PRO 7 3HB PRO 7 -1.017 -11.782 1.502
47 HG2 PRO 7 2HG PRO 7 -0.923 -9.643 -0.590
48 HG3 PRO 7 3HG PRO 7 -1.152 -9.486 1.161
49 HD2 PRO 7 2HD PRO 7 1.231 -9.032 -0.043
50 HD3 PRO 7 3HD PRO 7 1.102 -9.690 1.601
51 H PHE 8 H PHE 8 1.100 -10.787 -2.125
52 HA PHE 8 HA PHE 8 -0.554 -11.944 -4.109
53 HB2 PHE 8 2HB PHE 8 0.257 -9.707 -4.432
54 HB3 PHE 8 3HB PHE 8 1.931 -10.238 -4.307
55 HD1 PHE 8 HD2 PHE 8 -0.927 -11.602 -6.266
56 HD2 PHE 8 HD1 PHE 8 2.934 -9.812 -6.337
57 HE1 PHE 8 HE2 PHE 8 -0.842 -11.891 -8.708
58 HE2 PHE 8 HE1 PHE 8 3.025 -10.097 -8.779
59 HZ PHE 8 HZ PHE 8 1.137 -11.139 -9.968
60 H ALA 9 H ALA 9 2.688 -12.624 -2.979
61 HA ALA 9 HA ALA 9 3.379 -14.365 -5.144
62 HB1 ALA 9 1HB ALA 9 4.838 -14.841 -2.681
63 HB2 ALA 9 2HB ALA 9 5.420 -14.295 -4.254
64 HB3 ALA 9 3HB ALA 9 4.769 -13.130 -3.102
65 H MET 10 H MET 10 1.812 -14.734 -2.048
66 HA MET 10 HA MET 10 1.980 -17.627 -2.114
67 HB2 MET 10 2HB MET 10 0.751 -15.644 -0.214
68 HB3 MET 10 3HB MET 10 0.431 -17.368 -0.071
69 HG2 MET 10 2HG MET 10 2.307 -17.631 1.058
70 HG3 MET 10 3HG MET 10 3.230 -17.026 -0.315
71 HE1 MET 10 3HE MET 10 4.430 -16.523 2.663
72 HE2 MET 10 1HE MET 10 5.082 -16.168 1.063
73 HE3 MET 10 2HE MET 10 4.999 -14.897 2.284
74 H GLN 11 H GLN 11 -0.293 -15.108 -2.914
75 HA GLN 11 HA GLN 11 -2.629 -16.691 -3.025
76 HB2 GLN 11 2HB GLN 11 -2.828 -14.299 -2.946
77 HB3 GLN 11 3HB GLN 11 -1.882 -14.119 -4.418
78 HG2 GLN 11 2HG GLN 11 -4.234 -15.790 -4.781
79 HG3 GLN 11 3HG GLN 11 -4.620 -14.156 -4.243
80 HE21 GLN 11 1HE2 GLN 11 -3.834 -16.107 -6.860
81 HE22 GLN 11 2HE2 GLN 11 -3.561 -14.866 -8.032
82 H MET 12 H MET 12 0.040 -16.265 -5.195
83 HA MET 12 HA MET 12 -1.376 -17.531 -7.407
84 HB2 MET 12 2HB MET 12 1.337 -16.263 -7.121
85 HB3 MET 12 3HB MET 12 0.924 -17.230 -8.530
86 HG2 MET 12 2HG MET 12 -1.193 -15.578 -8.466
87 HG3 MET 12 3HG MET 12 0.036 -14.536 -7.751
88 HE1 MET 12 3HE MET 12 2.514 -14.322 -8.943
89 HE2 MET 12 1HE MET 12 2.577 -16.035 -9.360
90 HE3 MET 12 2HE MET 12 2.817 -14.814 -10.610
91 H ALA 13 H ALA 13 0.844 -18.306 -4.880
92 HA ALA 13 HA ALA 13 2.092 -20.571 -5.966
93 HB1 ALA 13 1HB ALA 13 2.986 -19.630 -3.982
94 HB2 ALA 13 2HB ALA 13 1.458 -19.820 -3.121
95 HB3 ALA 13 3HB ALA 13 2.406 -21.241 -3.561
96 H TYR 14 H TYR 14 -1.004 -20.164 -4.335
97 HA TYR 14 HA TYR 14 -1.534 -23.027 -4.456
98 HB2 TYR 14 2HB TYR 14 -3.141 -22.685 -2.877
99 HB3 TYR 14 3HB TYR 14 -2.194 -21.234 -2.573
100 HD1 TYR 14 HD1 TYR 14 -2.914 -19.094 -3.844
101 HD2 TYR 14 HD2 TYR 14 -5.409 -22.507 -3.367
102 HE1 TYR 14 HE1 TYR 14 -4.892 -17.703 -4.293
103 HE2 TYR 14 HE2 TYR 14 -7.394 -21.126 -3.816
104 HH TYR 14 HH TYR 14 -7.278 -18.130 -5.188
105 H ARG 15 H ARG 15 -2.420 -20.057 -6.052
106 HA ARG 15 HA ARG 15 -4.756 -20.844 -7.350
107 HB2 ARG 15 2HB ARG 15 -3.013 -18.636 -7.423
108 HB3 ARG 15 3HB ARG 15 -3.126 -19.212 -9.080
109 HG2 ARG 15 2HG ARG 15 -5.746 -19.225 -8.118
110 HG3 ARG 15 3HG ARG 15 -5.029 -17.725 -7.526
111 HD2 ARG 15 2HD ARG 15 -5.524 -16.897 -9.544
112 HD3 ARG 15 3HD ARG 15 -4.135 -17.823 -10.111
113 HE ARG 15 HE ARG 15 -6.453 -19.440 -10.102
114 HH11 ARG 15 1HH1 ARG 15 -4.951 -16.823 -11.838
115 HH12 ARG 15 2HH1 ARG 15 -5.714 -17.210 -13.344
116 HH21 ARG 15 1HH2 ARG 15 -7.464 -19.961 -12.080
117 HH22 ARG 15 2HH2 ARG 15 -7.144 -18.995 -13.480
118 H PHE 16 H PHE 16 -1.503 -21.831 -7.849
119 HA PHE 16 HA PHE 16 -1.413 -22.513 -10.516
120 HB2 PHE 16 2HB PHE 16 -0.270 -24.012 -8.151
121 HB3 PHE 16 3HB PHE 16 0.168 -24.321 -9.827
122 HD1 PHE 16 HD2 PHE 16 -0.070 -21.213 -10.454
123 HD2 PHE 16 HD1 PHE 16 2.076 -23.561 -7.625
124 HE1 PHE 16 HE2 PHE 16 1.659 -19.468 -10.322
125 HE2 PHE 16 HE1 PHE 16 3.809 -21.819 -7.489
126 HZ PHE 16 HZ PHE 16 3.602 -19.770 -8.839
Start of MODEL 11
1 H1 GLY 1 H GLY 1 0.278 -0.465 -0.591
2 HA2 GLY 1 2HA GLY 1 0.842 -1.370 -3.261
3 HA3 GLY 1 3HA GLY 1 1.875 -0.357 -2.261
4 H ALA 2 H ALA 2 3.328 -1.343 -0.796
5 HA ALA 2 HA ALA 2 4.468 -3.761 -1.762
6 HB1 ALA 2 1HB ALA 2 5.563 -1.725 -0.537
7 HB2 ALA 2 2HB ALA 2 5.184 -2.656 0.913
8 HB3 ALA 2 3HB ALA 2 6.220 -3.349 -0.335
9 H ALA 3 H ALA 3 2.199 -2.994 0.752
10 HA ALA 3 HA ALA 3 2.478 -5.307 2.337
11 HB1 ALA 3 1HB ALA 3 0.952 -3.012 2.440
12 HB2 ALA 3 2HB ALA 3 -0.241 -4.292 2.212
13 HB3 ALA 3 3HB ALA 3 0.880 -4.363 3.572
14 H LEU 4 H LEU 4 0.940 -4.742 -0.716
15 HA LEU 4 HA LEU 4 -0.586 -7.214 -0.601
16 HB2 LEU 4 2HB LEU 4 -0.286 -5.085 -2.706
17 HB3 LEU 4 3HB LEU 4 -1.224 -6.557 -2.948
18 HG LEU 4 HG LEU 4 -1.785 -4.393 -0.921
19 HD11 LEU 4 1HD1 LEU 4 -2.479 -4.679 -3.670
20 HD12 LEU 4 2HD1 LEU 4 -2.934 -3.407 -2.537
21 HD13 LEU 4 3HD1 LEU 4 -3.935 -4.850 -2.690
22 HD21 LEU 4 3HD2 LEU 4 -2.568 -6.287 0.137
23 HD22 LEU 4 1HD2 LEU 4 -2.954 -7.104 -1.378
24 HD23 LEU 4 2HD2 LEU 4 -3.980 -5.792 -0.799
25 H GLN 5 H GLN 5 2.504 -6.182 -1.547
26 HA GLN 5 HA GLN 5 2.951 -8.042 -3.665
27 HB2 GLN 5 2HB GLN 5 4.255 -5.843 -2.907
28 HB3 GLN 5 3HB GLN 5 5.226 -7.024 -2.037
29 HG2 GLN 5 2HG GLN 5 4.754 -7.841 -4.768
30 HG3 GLN 5 3HG GLN 5 5.513 -6.252 -4.679
31 HE21 GLN 5 1HE2 GLN 5 6.403 -9.090 -5.392
32 HE22 GLN 5 2HE2 GLN 5 7.884 -9.278 -4.523
33 H ILE 6 H ILE 6 2.829 -8.305 -0.272
34 HA ILE 6 HA ILE 6 4.610 -10.554 -0.038
35 HB ILE 6 HB ILE 6 2.828 -9.061 1.817
36 HG12 ILE 6 2HG1 ILE 6 5.026 -9.524 3.215
37 HG13 ILE 6 3HG1 ILE 6 5.700 -9.870 1.626
38 HG21 ILE 6 1HG2 ILE 6 3.393 -10.886 3.550
39 HG22 ILE 6 2HG2 ILE 6 2.048 -11.157 2.443
40 HG23 ILE 6 3HG2 ILE 6 3.603 -11.934 2.147
41 HD11 ILE 6 3HD1 ILE 6 6.161 -7.678 1.647
42 HD12 ILE 6 1HD1 ILE 6 4.482 -7.523 1.131
43 HD13 ILE 6 2HD1 ILE 6 4.905 -7.315 2.830
44 HA PRO 7 HA PRO 7 0.452 -12.965 0.460
45 HB2 PRO 7 2HB PRO 7 -1.837 -11.638 -0.149
46 HB3 PRO 7 3HB PRO 7 -1.136 -11.650 1.474
47 HG2 PRO 7 2HG PRO 7 -0.948 -9.554 -0.655
48 HG3 PRO 7 3HG PRO 7 -1.221 -9.359 1.086
49 HD2 PRO 7 2HD PRO 7 1.200 -8.969 -0.061
50 HD3 PRO 7 3HD PRO 7 1.015 -9.593 1.591
51 H PHE 8 H PHE 8 1.099 -10.764 -2.113
52 HA PHE 8 HA PHE 8 -0.516 -11.976 -4.113
53 HB2 PHE 8 2HB PHE 8 0.248 -9.716 -4.439
54 HB3 PHE 8 3HB PHE 8 1.931 -10.213 -4.299
55 HD1 PHE 8 HD2 PHE 8 -0.866 -11.696 -6.254
56 HD2 PHE 8 HD1 PHE 8 2.915 -9.742 -6.333
57 HE1 PHE 8 HE2 PHE 8 -0.760 -12.007 -8.692
58 HE2 PHE 8 HE1 PHE 8 3.026 -10.050 -8.772
59 HZ PHE 8 HZ PHE 8 1.188 -11.184 -9.955
60 H ALA 9 H ALA 9 2.719 -12.546 -2.905
61 HA ALA 9 HA ALA 9 3.531 -14.277 -5.026
62 HB1 ALA 9 1HB ALA 9 4.636 -13.378 -2.453
63 HB2 ALA 9 2HB ALA 9 5.158 -14.976 -2.986
64 HB3 ALA 9 3HB ALA 9 5.418 -13.573 -4.022
65 H MET 10 H MET 10 1.845 -14.697 -1.997
66 HA MET 10 HA MET 10 2.062 -17.589 -2.093
67 HB2 MET 10 2HB MET 10 0.635 -15.709 -0.210
68 HB3 MET 10 3HB MET 10 0.569 -17.460 -0.063
69 HG2 MET 10 2HG MET 10 3.169 -17.272 -0.065
70 HG3 MET 10 3HG MET 10 2.849 -15.604 0.405
71 HE1 MET 10 3HE MET 10 3.534 -16.292 3.902
72 HE2 MET 10 1HE MET 10 4.483 -17.306 2.814
73 HE3 MET 10 2HE MET 10 4.065 -15.659 2.343
74 H GLN 11 H GLN 11 -0.305 -15.082 -2.756
75 HA GLN 11 HA GLN 11 -2.588 -16.684 -2.992
76 HB2 GLN 11 2HB GLN 11 -2.702 -14.247 -2.908
77 HB3 GLN 11 3HB GLN 11 -1.879 -14.137 -4.459
78 HG2 GLN 11 2HG GLN 11 -4.217 -15.809 -4.650
79 HG3 GLN 11 3HG GLN 11 -4.620 -14.219 -4.003
80 HE21 GLN 11 1HE2 GLN 11 -3.941 -16.018 -6.768
81 HE22 GLN 11 2HE2 GLN 11 -3.835 -14.714 -7.896
82 H MET 12 H MET 12 0.119 -16.236 -5.108
83 HA MET 12 HA MET 12 -1.247 -17.496 -7.353
84 HB2 MET 12 2HB MET 12 1.125 -15.835 -7.003
85 HB3 MET 12 3HB MET 12 1.418 -17.212 -8.057
86 HG2 MET 12 2HG MET 12 -0.453 -16.550 -9.464
87 HG3 MET 12 3HG MET 12 -0.781 -15.187 -8.397
88 HE1 MET 12 3HE MET 12 1.621 -15.006 -12.062
89 HE2 MET 12 1HE MET 12 1.325 -16.580 -11.323
90 HE3 MET 12 2HE MET 12 -0.028 -15.508 -11.684
91 H ALA 13 H ALA 13 0.928 -18.274 -4.787
92 HA ALA 13 HA ALA 13 2.204 -20.530 -5.858
93 HB1 ALA 13 1HB ALA 13 2.300 -21.216 -3.360
94 HB2 ALA 13 2HB ALA 13 3.146 -19.761 -3.889
95 HB3 ALA 13 3HB ALA 13 1.588 -19.628 -3.074
96 H TYR 14 H TYR 14 -0.926 -20.143 -4.288
97 HA TYR 14 HA TYR 14 -1.441 -23.007 -4.435
98 HB2 TYR 14 2HB TYR 14 -3.082 -22.681 -2.888
99 HB3 TYR 14 3HB TYR 14 -2.147 -21.227 -2.557
100 HD1 TYR 14 HD1 TYR 14 -2.850 -19.084 -3.831
101 HD2 TYR 14 HD2 TYR 14 -5.340 -22.510 -3.424
102 HE1 TYR 14 HE1 TYR 14 -4.825 -17.699 -4.314
103 HE2 TYR 14 HE2 TYR 14 -7.321 -21.135 -3.906
104 HH TYR 14 HH TYR 14 -7.296 -18.310 -5.335
105 H ARG 15 H ARG 15 -2.306 -20.033 -6.033
106 HA ARG 15 HA ARG 15 -4.612 -20.822 -7.383
107 HB2 ARG 15 2HB ARG 15 -2.880 -18.606 -7.408
108 HB3 ARG 15 3HB ARG 15 -2.951 -19.176 -9.070
109 HG2 ARG 15 2HG ARG 15 -5.588 -19.220 -8.255
110 HG3 ARG 15 3HG ARG 15 -4.934 -17.763 -7.503
111 HD2 ARG 15 2HD ARG 15 -5.251 -16.758 -9.467
112 HD3 ARG 15 3HD ARG 15 -3.890 -17.709 -10.060
113 HE ARG 15 HE ARG 15 -6.050 -19.351 -10.351
114 HH11 ARG 15 1HH1 ARG 15 -5.232 -16.143 -11.427
115 HH12 ARG 15 2HH1 ARG 15 -6.168 -16.250 -12.880
116 HH21 ARG 15 1HH2 ARG 15 -7.287 -19.505 -12.262
117 HH22 ARG 15 2HH2 ARG 15 -7.338 -18.162 -13.354
118 H PHE 16 H PHE 16 -1.345 -21.794 -7.820
119 HA PHE 16 HA PHE 16 -1.199 -22.463 -10.488
120 HB2 PHE 16 2HB PHE 16 -0.098 -23.969 -8.108
121 HB3 PHE 16 3HB PHE 16 0.376 -24.267 -9.777
122 HD1 PHE 16 HD1 PHE 16 0.136 -21.157 -10.390
123 HD2 PHE 16 HD2 PHE 16 2.237 -23.511 -7.535
124 HE1 PHE 16 HE1 PHE 16 1.854 -19.405 -10.216
125 HE2 PHE 16 HE2 PHE 16 3.958 -21.763 -7.354
126 HZ PHE 16 HZ PHE 16 3.768 -19.705 -8.695
Start of MODEL 12
1 H1 GLY 1 H GLY 1 2.191 0.486 -2.866
2 HA2 GLY 1 2HA GLY 1 0.765 -1.989 -2.564
3 HA3 GLY 1 3HA GLY 1 1.790 -1.533 -3.917
4 H ALA 2 H ALA 2 2.463 -1.919 -0.443
5 HA ALA 2 HA ALA 2 4.586 -3.827 -1.180
6 HB1 ALA 2 1HB ALA 2 5.265 -1.598 -0.169
7 HB2 ALA 2 2HB ALA 2 4.554 -2.184 1.336
8 HB3 ALA 2 3HB ALA 2 5.906 -3.048 0.605
9 H ALA 3 H ALA 3 1.844 -3.199 0.871
10 HA ALA 3 HA ALA 3 2.259 -5.467 2.585
11 HB1 ALA 3 1HB ALA 3 -0.062 -4.955 3.362
12 HB2 ALA 3 2HB ALA 3 1.071 -3.609 3.493
13 HB3 ALA 3 3HB ALA 3 -0.106 -3.646 2.180
14 H LEU 4 H LEU 4 0.626 -4.846 -0.425
15 HA LEU 4 HA LEU 4 -0.817 -7.368 -0.342
16 HB2 LEU 4 2HB LEU 4 -1.663 -6.678 -2.555
17 HB3 LEU 4 3HB LEU 4 -1.979 -5.497 -1.285
18 HG LEU 4 HG LEU 4 0.357 -4.561 -2.340
19 HD11 LEU 4 1HD1 LEU 4 -0.228 -4.531 -4.846
20 HD12 LEU 4 2HD1 LEU 4 -1.173 -5.976 -4.490
21 HD13 LEU 4 3HD1 LEU 4 0.563 -5.961 -4.182
22 HD21 LEU 4 3HD2 LEU 4 -1.422 -3.104 -1.855
23 HD22 LEU 4 1HD2 LEU 4 -2.517 -3.937 -2.959
24 HD23 LEU 4 2HD2 LEU 4 -1.184 -2.974 -3.598
25 H GLN 5 H GLN 5 2.203 -6.206 -1.360
26 HA GLN 5 HA GLN 5 2.630 -7.980 -3.555
27 HB2 GLN 5 2HB GLN 5 3.922 -5.771 -2.610
28 HB3 GLN 5 3HB GLN 5 5.000 -7.053 -2.075
29 HG2 GLN 5 2HG GLN 5 4.105 -7.290 -4.855
30 HG3 GLN 5 3HG GLN 5 5.086 -5.867 -4.508
31 HE21 GLN 5 1HE2 GLN 5 5.214 -8.974 -5.501
32 HE22 GLN 5 2HE2 GLN 5 6.838 -9.364 -5.059
33 H ILE 6 H ILE 6 2.641 -8.357 -0.171
34 HA ILE 6 HA ILE 6 4.502 -10.551 -0.075
35 HB ILE 6 HB ILE 6 2.740 -9.181 1.890
36 HG12 ILE 6 2HG1 ILE 6 5.440 -10.206 2.554
37 HG13 ILE 6 3HG1 ILE 6 5.364 -8.986 1.288
38 HG21 ILE 6 1HG2 ILE 6 2.052 -11.323 2.470
39 HG22 ILE 6 2HG2 ILE 6 3.621 -12.034 2.094
40 HG23 ILE 6 3HG2 ILE 6 3.426 -11.042 3.539
41 HD11 ILE 6 3HD1 ILE 6 5.724 -8.212 3.691
42 HD12 ILE 6 1HD1 ILE 6 4.503 -7.377 2.731
43 HD13 ILE 6 2HD1 ILE 6 4.016 -8.577 3.928
44 HA PRO 7 HA PRO 7 0.444 -13.116 0.485
45 HB2 PRO 7 2HB PRO 7 -1.907 -11.847 0.001
46 HB3 PRO 7 3HB PRO 7 -1.149 -11.888 1.597
47 HG2 PRO 7 2HG PRO 7 -1.105 -9.719 -0.465
48 HG3 PRO 7 3HG PRO 7 -1.322 -9.590 1.290
49 HD2 PRO 7 2HD PRO 7 1.043 -9.083 0.073
50 HD3 PRO 7 3HD PRO 7 0.938 -9.765 1.709
51 H PHE 8 H PHE 8 0.923 -10.810 -2.032
52 HA PHE 8 HA PHE 8 -0.720 -12.018 -4.014
53 HB2 PHE 8 2HB PHE 8 -0.067 -9.724 -4.302
54 HB3 PHE 8 3HB PHE 8 1.641 -10.143 -4.214
55 HD1 PHE 8 HD2 PHE 8 -1.126 -11.704 -6.151
56 HD2 PHE 8 HD1 PHE 8 2.553 -9.566 -6.255
57 HE1 PHE 8 HE2 PHE 8 -1.062 -11.939 -8.600
58 HE2 PHE 8 HE1 PHE 8 2.623 -9.798 -8.703
59 HZ PHE 8 HZ PHE 8 0.814 -10.987 -9.879
60 H ALA 9 H ALA 9 2.575 -12.501 -2.938
61 HA ALA 9 HA ALA 9 3.359 -14.140 -5.148
62 HB1 ALA 9 1HB ALA 9 4.748 -12.816 -3.270
63 HB2 ALA 9 2HB ALA 9 4.783 -14.440 -2.581
64 HB3 ALA 9 3HB ALA 9 5.411 -14.156 -4.205
65 H MET 10 H MET 10 1.896 -14.699 -2.019
66 HA MET 10 HA MET 10 2.224 -17.572 -2.194
67 HB2 MET 10 2HB MET 10 1.058 -15.683 -0.188
68 HB3 MET 10 3HB MET 10 0.617 -17.384 -0.122
69 HG2 MET 10 2HG MET 10 2.543 -17.934 0.823
70 HG3 MET 10 3HG MET 10 3.469 -17.051 -0.389
71 HE1 MET 10 3HE MET 10 2.736 -16.145 3.863
72 HE2 MET 10 1HE MET 10 2.553 -17.612 2.901
73 HE3 MET 10 2HE MET 10 4.162 -16.973 3.235
74 H GLN 11 H GLN 11 -0.254 -15.167 -2.765
75 HA GLN 11 HA GLN 11 -2.482 -16.876 -2.894
76 HB2 GLN 11 2HB GLN 11 -2.738 -14.465 -2.749
77 HB3 GLN 11 3HB GLN 11 -1.953 -14.258 -4.309
78 HG2 GLN 11 2HG GLN 11 -4.373 -15.966 -4.195
79 HG3 GLN 11 3HG GLN 11 -4.580 -14.223 -4.034
80 HE21 GLN 11 1HE2 GLN 11 -5.387 -16.067 -6.174
81 HE22 GLN 11 2HE2 GLN 11 -4.678 -15.442 -7.620
82 H MET 12 H MET 12 0.095 -16.252 -5.125
83 HA MET 12 HA MET 12 -1.314 -17.536 -7.330
84 HB2 MET 12 2HB MET 12 1.137 -15.898 -7.042
85 HB3 MET 12 3HB MET 12 1.167 -17.121 -8.304
86 HG2 MET 12 2HG MET 12 -0.999 -16.158 -9.139
87 HG3 MET 12 3HG MET 12 -0.750 -14.830 -8.007
88 HE1 MET 12 3HE MET 12 -1.186 -13.430 -9.940
89 HE2 MET 12 1HE MET 12 0.089 -12.793 -10.980
90 HE3 MET 12 2HE MET 12 -0.827 -14.215 -11.479
91 H ALA 13 H ALA 13 1.018 -18.254 -4.887
92 HA ALA 13 HA ALA 13 2.350 -20.422 -6.067
93 HB1 ALA 13 1HB ALA 13 1.775 -19.726 -3.200
94 HB2 ALA 13 2HB ALA 13 2.720 -21.142 -3.661
95 HB3 ALA 13 3HB ALA 13 3.280 -19.528 -4.097
96 H TYR 14 H TYR 14 -0.715 -20.222 -4.341
97 HA TYR 14 HA TYR 14 -1.096 -23.105 -4.525
98 HB2 TYR 14 2HB TYR 14 -2.674 -22.890 -2.894
99 HB3 TYR 14 3HB TYR 14 -1.796 -21.397 -2.577
100 HD1 TYR 14 HD1 TYR 14 -2.665 -19.269 -3.771
101 HD2 TYR 14 HD2 TYR 14 -4.961 -22.822 -3.318
102 HE1 TYR 14 HE1 TYR 14 -4.726 -17.976 -4.129
103 HE2 TYR 14 HE2 TYR 14 -7.028 -21.539 -3.676
104 HH TYR 14 HH TYR 14 -7.756 -19.462 -4.681
105 H ARG 15 H ARG 15 -2.182 -20.148 -6.016
106 HA ARG 15 HA ARG 15 -4.510 -21.025 -7.272
107 HB2 ARG 15 2HB ARG 15 -2.890 -18.726 -7.331
108 HB3 ARG 15 3HB ARG 15 -3.017 -19.266 -9.000
109 HG2 ARG 15 2HG ARG 15 -5.599 -19.463 -8.179
110 HG3 ARG 15 3HG ARG 15 -5.033 -18.077 -7.243
111 HD2 ARG 15 2HD ARG 15 -5.435 -16.860 -9.070
112 HD3 ARG 15 3HD ARG 15 -3.995 -17.614 -9.752
113 HE ARG 15 HE ARG 15 -6.376 -19.168 -10.130
114 HH11 ARG 15 1HH1 ARG 15 -4.450 -16.553 -11.385
115 HH12 ARG 15 2HH1 ARG 15 -5.036 -16.726 -13.006
116 HH21 ARG 15 1HH2 ARG 15 -7.155 -19.406 -12.261
117 HH22 ARG 15 2HH2 ARG 15 -6.575 -18.349 -13.503
118 H PHE 16 H PHE 16 -1.224 -21.823 -7.884
119 HA PHE 16 HA PHE 16 -1.175 -22.432 -10.570
120 HB2 PHE 16 2HB PHE 16 0.113 -23.926 -8.278
121 HB3 PHE 16 3HB PHE 16 0.519 -24.169 -9.974
122 HD1 PHE 16 HD1 PHE 16 0.096 -21.063 -10.508
123 HD2 PHE 16 HD2 PHE 16 2.449 -23.363 -7.807
124 HE1 PHE 16 HE1 PHE 16 1.733 -19.231 -10.378
125 HE2 PHE 16 HE2 PHE 16 4.088 -21.534 -7.672
126 HZ PHE 16 HZ PHE 16 3.731 -19.464 -8.958
Start of MODEL 13
1 H1 GLY 1 H GLY 1 0.167 -0.620 -2.002
2 HA2 GLY 1 2HA GLY 1 1.246 -2.269 -3.869
3 HA3 GLY 1 3HA GLY 1 2.051 -0.805 -3.325
4 H ALA 2 H ALA 2 2.716 -1.510 -0.728
5 HA ALA 2 HA ALA 2 4.835 -3.455 -1.254
6 HB1 ALA 2 1HB ALA 2 4.595 -1.763 1.213
7 HB2 ALA 2 2HB ALA 2 6.039 -2.488 0.505
8 HB3 ALA 2 3HB ALA 2 5.256 -1.125 -0.293
9 H ALA 3 H ALA 3 1.942 -3.035 0.607
10 HA ALA 3 HA ALA 3 2.517 -5.264 2.374
11 HB1 ALA 3 1HB ALA 3 1.322 -3.605 3.475
12 HB2 ALA 3 2HB ALA 3 0.241 -3.336 2.107
13 HB3 ALA 3 3HB ALA 3 0.081 -4.796 3.084
14 H LEU 4 H LEU 4 0.870 -4.662 -0.611
15 HA LEU 4 HA LEU 4 -0.598 -7.169 -0.512
16 HB2 LEU 4 2HB LEU 4 -1.259 -4.842 -1.604
17 HB3 LEU 4 3HB LEU 4 -0.424 -5.541 -2.990
18 HG LEU 4 HG LEU 4 -2.014 -7.555 -2.625
19 HD11 LEU 4 1HD1 LEU 4 -4.066 -7.133 -1.542
20 HD12 LEU 4 2HD1 LEU 4 -3.701 -5.419 -1.349
21 HD13 LEU 4 3HD1 LEU 4 -2.810 -6.620 -0.415
22 HD21 LEU 4 3HD2 LEU 4 -3.554 -6.636 -4.163
23 HD22 LEU 4 1HD2 LEU 4 -2.008 -5.854 -4.498
24 HD23 LEU 4 2HD2 LEU 4 -3.256 -4.992 -3.597
25 H GLN 5 H GLN 5 2.440 -6.047 -1.522
26 HA GLN 5 HA GLN 5 2.864 -7.846 -3.696
27 HB2 GLN 5 2HB GLN 5 4.128 -5.685 -3.225
28 HB3 GLN 5 3HB GLN 5 5.007 -6.583 -1.994
29 HG2 GLN 5 2HG GLN 5 4.961 -7.937 -4.567
30 HG3 GLN 5 3HG GLN 5 5.709 -6.342 -4.635
31 HE21 GLN 5 1HE2 GLN 5 6.427 -9.452 -4.352
32 HE22 GLN 5 2HE2 GLN 5 7.843 -9.374 -3.366
33 H ILE 6 H ILE 6 2.849 -8.191 -0.309
34 HA ILE 6 HA ILE 6 4.685 -10.404 -0.181
35 HB ILE 6 HB ILE 6 2.926 -8.996 1.760
36 HG12 ILE 6 2HG1 ILE 6 5.317 -8.404 1.403
37 HG13 ILE 6 3HG1 ILE 6 4.970 -8.895 3.058
38 HG21 ILE 6 1HG2 ILE 6 3.582 -10.848 3.431
39 HG22 ILE 6 2HG2 ILE 6 2.211 -11.123 2.358
40 HG23 ILE 6 3HG2 ILE 6 3.774 -11.857 1.998
41 HD11 ILE 6 3HD1 ILE 6 7.019 -9.824 1.517
42 HD12 ILE 6 1HD1 ILE 6 6.370 -10.621 2.950
43 HD13 ILE 6 2HD1 ILE 6 5.811 -11.097 1.346
44 HA PRO 7 HA PRO 7 0.597 -12.920 0.379
45 HB2 PRO 7 2HB PRO 7 -1.737 -11.631 -0.131
46 HB3 PRO 7 3HB PRO 7 -0.989 -11.665 1.470
47 HG2 PRO 7 2HG PRO 7 -0.910 -9.516 -0.613
48 HG3 PRO 7 3HG PRO 7 -1.136 -9.368 1.140
49 HD2 PRO 7 2HD PRO 7 1.242 -8.897 -0.067
50 HD3 PRO 7 3HD PRO 7 1.119 -9.563 1.574
51 H PHE 8 H PHE 8 1.117 -10.644 -2.157
52 HA PHE 8 HA PHE 8 -0.531 -11.830 -4.140
53 HB2 PHE 8 2HB PHE 8 0.194 -9.565 -4.456
54 HB3 PHE 8 3HB PHE 8 1.887 -10.031 -4.334
55 HD1 PHE 8 HD2 PHE 8 -0.917 -11.491 -6.302
56 HD2 PHE 8 HD1 PHE 8 2.874 -9.558 -6.360
57 HE1 PHE 8 HE2 PHE 8 -0.821 -11.763 -8.745
58 HE2 PHE 8 HE1 PHE 8 2.977 -9.826 -8.804
59 HZ PHE 8 HZ PHE 8 1.128 -10.930 -9.999
60 H ALA 9 H ALA 9 2.737 -12.406 -3.031
61 HA ALA 9 HA ALA 9 3.486 -14.097 -5.214
62 HB1 ALA 9 1HB ALA 9 4.687 -13.255 -2.649
63 HB2 ALA 9 2HB ALA 9 5.235 -14.796 -3.311
64 HB3 ALA 9 3HB ALA 9 5.388 -13.322 -4.267
65 H MET 10 H MET 10 1.932 -14.560 -2.123
66 HA MET 10 HA MET 10 2.191 -17.446 -2.236
67 HB2 MET 10 2HB MET 10 1.104 -15.475 -0.281
68 HB3 MET 10 3HB MET 10 0.502 -17.126 -0.212
69 HG2 MET 10 2HG MET 10 2.312 -17.796 0.860
70 HG3 MET 10 3HG MET 10 3.352 -17.157 -0.412
71 HE1 MET 10 3HE MET 10 2.405 -15.405 3.654
72 HE2 MET 10 1HE MET 10 1.057 -15.293 2.521
73 HE3 MET 10 2HE MET 10 1.761 -16.865 2.901
74 H GLN 11 H GLN 11 -0.214 -14.982 -2.881
75 HA GLN 11 HA GLN 11 -2.484 -16.623 -3.034
76 HB2 GLN 11 2HB GLN 11 -2.701 -14.219 -2.941
77 HB3 GLN 11 3HB GLN 11 -1.830 -14.041 -4.459
78 HG2 GLN 11 2HG GLN 11 -4.171 -15.757 -4.677
79 HG3 GLN 11 3HG GLN 11 -4.551 -14.115 -4.161
80 HE21 GLN 11 1HE2 GLN 11 -4.507 -15.942 -6.765
81 HE22 GLN 11 2HE2 GLN 11 -4.056 -14.796 -7.977
82 H MET 12 H MET 12 0.156 -16.125 -5.222
83 HA MET 12 HA MET 12 -1.247 -17.411 -7.430
84 HB2 MET 12 2HB MET 12 1.066 -15.677 -7.153
85 HB3 MET 12 3HB MET 12 1.419 -17.069 -8.168
86 HG2 MET 12 2HG MET 12 -0.672 -16.502 -9.459
87 HG3 MET 12 3HG MET 12 -0.706 -14.986 -8.561
88 HE1 MET 12 3HE MET 12 2.903 -14.800 -8.601
89 HE2 MET 12 1HE MET 12 2.665 -13.349 -9.575
90 HE3 MET 12 2HE MET 12 1.580 -13.694 -8.228
91 H ALA 13 H ALA 13 1.011 -18.149 -4.924
92 HA ALA 13 HA ALA 13 2.300 -20.380 -6.030
93 HB1 ALA 13 1HB ALA 13 2.709 -21.044 -3.668
94 HB2 ALA 13 2HB ALA 13 3.143 -19.372 -4.025
95 HB3 ALA 13 3HB ALA 13 1.648 -19.730 -3.161
96 H TYR 14 H TYR 14 -0.793 -20.052 -4.376
97 HA TYR 14 HA TYR 14 -1.258 -22.926 -4.511
98 HB2 TYR 14 2HB TYR 14 -2.862 -22.630 -2.920
99 HB3 TYR 14 3HB TYR 14 -1.946 -21.159 -2.613
100 HD1 TYR 14 HD1 TYR 14 -2.724 -19.029 -3.866
101 HD2 TYR 14 HD2 TYR 14 -5.137 -22.501 -3.394
102 HE1 TYR 14 HE1 TYR 14 -4.736 -17.681 -4.294
103 HE2 TYR 14 HE2 TYR 14 -7.156 -21.164 -3.822
104 HH TYR 14 HH TYR 14 -7.969 -19.158 -4.296
105 H ARG 15 H ARG 15 -2.223 -19.968 -6.083
106 HA ARG 15 HA ARG 15 -4.549 -20.799 -7.370
107 HB2 ARG 15 2HB ARG 15 -2.860 -18.552 -7.440
108 HB3 ARG 15 3HB ARG 15 -2.964 -19.122 -9.100
109 HG2 ARG 15 2HG ARG 15 -5.398 -18.676 -7.403
110 HG3 ARG 15 3HG ARG 15 -4.664 -17.396 -8.370
111 HD2 ARG 15 2HD ARG 15 -4.932 -19.699 -10.009
112 HD3 ARG 15 3HD ARG 15 -6.470 -19.433 -9.189
113 HE ARG 15 HE ARG 15 -5.335 -17.065 -10.375
114 HH11 ARG 15 1HH1 ARG 15 -7.370 -19.846 -10.870
115 HH12 ARG 15 2HH1 ARG 15 -8.251 -19.131 -12.180
116 HH21 ARG 15 1HH2 ARG 15 -6.487 -16.113 -12.098
117 HH22 ARG 15 2HH2 ARG 15 -7.747 -17.008 -12.878
118 H PHE 16 H PHE 16 -1.278 -21.709 -7.897
119 HA PHE 16 HA PHE 16 -1.191 -22.376 -10.568
120 HB2 PHE 16 2HB PHE 16 0.001 -23.861 -8.220
121 HB3 PHE 16 3HB PHE 16 0.435 -24.151 -9.901
122 HD1 PHE 16 HD2 PHE 16 0.121 -21.045 -10.505
123 HD2 PHE 16 HD1 PHE 16 2.342 -23.361 -7.708
124 HE1 PHE 16 HE2 PHE 16 1.811 -19.261 -10.375
125 HE2 PHE 16 HE1 PHE 16 4.034 -21.580 -7.573
126 HZ PHE 16 HZ PHE 16 3.771 -19.528 -8.908
Start of MODEL 14
1 H1 GLY 1 H GLY 1 2.296 0.522 -3.838
2 HA2 GLY 1 2HA GLY 1 0.937 -1.400 -2.248
3 HA3 GLY 1 3HA GLY 1 1.468 -1.621 -3.909
4 H ALA 2 H ALA 2 2.558 -1.705 -0.545
5 HA ALA 2 HA ALA 2 4.670 -3.592 -1.363
6 HB1 ALA 2 1HB ALA 2 5.343 -2.748 1.175
7 HB2 ALA 2 2HB ALA 2 6.047 -2.171 -0.336
8 HB3 ALA 2 3HB ALA 2 4.713 -1.290 0.408
9 H ALA 3 H ALA 3 1.946 -3.024 0.711
10 HA ALA 3 HA ALA 3 2.409 -5.294 2.413
11 HB1 ALA 3 1HB ALA 3 1.077 -4.003 3.652
12 HB2 ALA 3 2HB ALA 3 0.483 -3.119 2.246
13 HB3 ALA 3 3HB ALA 3 -0.251 -4.658 2.694
14 H LEU 4 H LEU 4 0.835 -4.707 -0.616
15 HA LEU 4 HA LEU 4 -0.643 -7.209 -0.532
16 HB2 LEU 4 2HB LEU 4 -0.372 -5.128 -2.696
17 HB3 LEU 4 3HB LEU 4 -1.413 -6.547 -2.783
18 HG LEU 4 HG LEU 4 -1.920 -4.902 -0.428
19 HD11 LEU 4 1HD1 LEU 4 -1.595 -2.941 -1.520
20 HD12 LEU 4 2HD1 LEU 4 -3.224 -3.292 -2.094
21 HD13 LEU 4 3HD1 LEU 4 -1.833 -3.657 -3.114
22 HD21 LEU 4 3HD2 LEU 4 -4.253 -5.058 -1.509
23 HD22 LEU 4 1HD2 LEU 4 -3.502 -6.537 -0.909
24 HD23 LEU 4 2HD2 LEU 4 -3.490 -6.181 -2.637
25 H GLN 5 H GLN 5 2.420 -6.103 -1.482
26 HA GLN 5 HA GLN 5 2.886 -7.918 -3.635
27 HB2 GLN 5 2HB GLN 5 4.239 -5.748 -2.479
28 HB3 GLN 5 3HB GLN 5 5.302 -7.132 -2.259
29 HG2 GLN 5 2HG GLN 5 4.101 -6.318 -4.894
30 HG3 GLN 5 3HG GLN 5 5.710 -5.854 -4.342
31 HE21 GLN 5 1HE2 GLN 5 4.489 -7.666 -6.524
32 HE22 GLN 5 2HE2 GLN 5 5.457 -9.093 -6.429
33 H ILE 6 H ILE 6 2.796 -8.239 -0.246
34 HA ILE 6 HA ILE 6 4.623 -10.456 -0.062
35 HB ILE 6 HB ILE 6 2.825 -9.030 1.830
36 HG12 ILE 6 2HG1 ILE 6 5.224 -8.446 1.521
37 HG13 ILE 6 3HG1 ILE 6 4.840 -8.924 3.171
38 HG21 ILE 6 1HG2 ILE 6 2.092 -11.153 2.424
39 HG22 ILE 6 2HG2 ILE 6 3.661 -11.891 2.105
40 HG23 ILE 6 3HG2 ILE 6 3.439 -10.873 3.527
41 HD11 ILE 6 3HD1 ILE 6 6.291 -10.598 3.112
42 HD12 ILE 6 1HD1 ILE 6 5.682 -11.175 1.561
43 HD13 ILE 6 2HD1 ILE 6 6.894 -9.894 1.612
44 HA PRO 7 HA PRO 7 0.516 -12.957 0.424
45 HB2 PRO 7 2HB PRO 7 -1.803 -11.666 -0.147
46 HB3 PRO 7 3HB PRO 7 -1.090 -11.691 1.470
47 HG2 PRO 7 2HG PRO 7 -0.959 -9.556 -0.625
48 HG3 PRO 7 3HG PRO 7 -1.223 -9.395 1.122
49 HD2 PRO 7 2HD PRO 7 1.182 -8.939 -0.036
50 HD3 PRO 7 3HD PRO 7 1.021 -9.593 1.607
51 H PHE 8 H PHE 8 1.099 -10.700 -2.116
52 HA PHE 8 HA PHE 8 -0.510 -11.884 -4.128
53 HB2 PHE 8 2HB PHE 8 0.258 -9.631 -4.440
54 HB3 PHE 8 3HB PHE 8 1.940 -10.124 -4.282
55 HD1 PHE 8 HD2 PHE 8 -0.850 -11.550 -6.295
56 HD2 PHE 8 HD1 PHE 8 2.975 -9.682 -6.291
57 HE1 PHE 8 HE2 PHE 8 -0.710 -11.840 -8.734
58 HE2 PHE 8 HE1 PHE 8 3.120 -9.968 -8.731
59 HZ PHE 8 HZ PHE 8 1.277 -11.049 -9.955
60 H ALA 9 H ALA 9 2.723 -12.497 -2.939
61 HA ALA 9 HA ALA 9 3.471 -14.238 -5.092
62 HB1 ALA 9 1HB ALA 9 5.361 -14.845 -3.535
63 HB2 ALA 9 2HB ALA 9 5.241 -13.140 -3.969
64 HB3 ALA 9 3HB ALA 9 4.678 -13.690 -2.391
65 H MET 10 H MET 10 1.904 -14.600 -1.997
66 HA MET 10 HA MET 10 2.154 -17.488 -2.012
67 HB2 MET 10 2HB MET 10 1.251 -15.431 -0.111
68 HB3 MET 10 3HB MET 10 0.337 -16.932 -0.051
69 HG2 MET 10 2HG MET 10 2.462 -18.165 0.228
70 HG3 MET 10 3HG MET 10 3.309 -16.621 0.286
71 HE1 MET 10 3HE MET 10 1.125 -19.133 1.707
72 HE2 MET 10 1HE MET 10 2.324 -19.267 2.993
73 HE3 MET 10 2HE MET 10 0.711 -18.654 3.354
74 H GLN 11 H GLN 11 -0.203 -15.046 -2.831
75 HA GLN 11 HA GLN 11 -2.483 -16.705 -2.940
76 HB2 GLN 11 2HB GLN 11 -2.742 -14.312 -2.885
77 HB3 GLN 11 3HB GLN 11 -1.823 -14.130 -4.373
78 HG2 GLN 11 2HG GLN 11 -4.106 -15.881 -4.709
79 HG3 GLN 11 3HG GLN 11 -4.567 -14.279 -4.135
80 HE21 GLN 11 1HE2 GLN 11 -3.470 -16.143 -6.774
81 HE22 GLN 11 2HE2 GLN 11 -3.380 -14.867 -7.935
82 H MET 12 H MET 12 0.177 -16.215 -5.108
83 HA MET 12 HA MET 12 -1.191 -17.546 -7.311
84 HB2 MET 12 2HB MET 12 1.168 -15.840 -7.018
85 HB3 MET 12 3HB MET 12 1.429 -17.205 -8.096
86 HG2 MET 12 2HG MET 12 -0.679 -16.513 -9.289
87 HG3 MET 12 3HG MET 12 -0.631 -15.035 -8.331
88 HE1 MET 12 3HE MET 12 -0.249 -16.191 -11.573
89 HE2 MET 12 1HE MET 12 -0.680 -14.488 -11.407
90 HE3 MET 12 2HE MET 12 0.766 -14.948 -12.307
91 H ALA 13 H ALA 13 1.046 -18.227 -4.771
92 HA ALA 13 HA ALA 13 2.367 -20.461 -5.832
93 HB1 ALA 13 1HB ALA 13 3.408 -19.894 -3.918
94 HB2 ALA 13 2HB ALA 13 1.923 -19.330 -3.152
95 HB3 ALA 13 3HB ALA 13 2.290 -21.054 -3.202
96 H TYR 14 H TYR 14 -0.745 -20.138 -4.213
97 HA TYR 14 HA TYR 14 -1.183 -23.017 -4.310
98 HB2 TYR 14 2HB TYR 14 -2.806 -22.712 -2.739
99 HB3 TYR 14 3HB TYR 14 -1.906 -21.228 -2.445
100 HD1 TYR 14 HD1 TYR 14 -2.690 -19.125 -3.739
101 HD2 TYR 14 HD2 TYR 14 -5.077 -22.611 -3.237
102 HE1 TYR 14 HE1 TYR 14 -4.709 -17.802 -4.206
103 HE2 TYR 14 HE2 TYR 14 -7.103 -21.298 -3.704
104 HH TYR 14 HH TYR 14 -7.826 -19.299 -4.642
105 H ARG 15 H ARG 15 -2.158 -20.092 -5.936
106 HA ARG 15 HA ARG 15 -4.464 -20.964 -7.233
107 HB2 ARG 15 2HB ARG 15 -2.793 -18.702 -7.321
108 HB3 ARG 15 3HB ARG 15 -2.879 -19.298 -8.973
109 HG2 ARG 15 2HG ARG 15 -5.464 -19.404 -8.407
110 HG3 ARG 15 3HG ARG 15 -5.001 -18.151 -7.254
111 HD2 ARG 15 2HD ARG 15 -4.779 -16.628 -8.866
112 HD3 ARG 15 3HD ARG 15 -3.806 -17.716 -9.855
113 HE ARG 15 HE ARG 15 -6.622 -18.307 -9.889
114 HH11 ARG 15 1HH1 ARG 15 -4.060 -16.443 -11.331
115 HH12 ARG 15 2HH1 ARG 15 -4.888 -16.226 -12.837
116 HH21 ARG 15 1HH2 ARG 15 -7.722 -18.030 -11.867
117 HH22 ARG 15 2HH2 ARG 15 -6.972 -17.129 -13.141
118 H PHE 16 H PHE 16 -1.180 -21.851 -7.714
119 HA PHE 16 HA PHE 16 -1.061 -22.556 -10.374
120 HB2 PHE 16 2HB PHE 16 0.122 -23.996 -7.992
121 HB3 PHE 16 3HB PHE 16 0.575 -24.306 -9.664
122 HD1 PHE 16 HD2 PHE 16 0.240 -21.213 -10.319
123 HD2 PHE 16 HD1 PHE 16 2.452 -23.466 -7.465
124 HE1 PHE 16 HE2 PHE 16 1.912 -19.413 -10.199
125 HE2 PHE 16 HE1 PHE 16 4.127 -21.669 -7.339
126 HZ PHE 16 HZ PHE 16 3.859 -19.639 -8.708
Start of MODEL 15
1 H1 GLY 1 H GLY 1 0.102 -2.170 -2.574
2 HA2 GLY 1 2HA GLY 1 2.514 -1.418 -4.049
3 HA3 GLY 1 3HA GLY 1 2.092 -0.908 -2.421
4 H ALA 2 H ALA 2 3.376 -1.712 -0.914
5 HA ALA 2 HA ALA 2 4.949 -4.094 -1.467
6 HB1 ALA 2 1HB ALA 2 6.465 -2.940 -0.330
7 HB2 ALA 2 2HB ALA 2 5.261 -1.747 0.158
8 HB3 ALA 2 3HB ALA 2 5.506 -3.200 1.127
9 H ALA 3 H ALA 3 2.217 -3.118 0.440
10 HA ALA 3 HA ALA 3 2.275 -5.321 2.259
11 HB1 ALA 3 1HB ALA 3 -0.113 -4.606 2.706
12 HB2 ALA 3 2HB ALA 3 1.134 -3.394 2.998
13 HB3 ALA 3 3HB ALA 3 0.156 -3.317 1.533
14 H LEU 4 H LEU 4 1.017 -4.796 -0.936
15 HA LEU 4 HA LEU 4 -0.631 -7.190 -0.856
16 HB2 LEU 4 2HB LEU 4 -0.045 -5.252 -3.089
17 HB3 LEU 4 3HB LEU 4 -1.174 -6.602 -3.191
18 HG LEU 4 HG LEU 4 -1.480 -4.309 -1.258
19 HD11 LEU 4 1HD1 LEU 4 -3.463 -4.031 -3.111
20 HD12 LEU 4 2HD1 LEU 4 -2.090 -4.504 -4.111
21 HD13 LEU 4 3HD1 LEU 4 -1.973 -3.088 -3.066
22 HD21 LEU 4 3HD2 LEU 4 -3.936 -5.296 -1.617
23 HD22 LEU 4 1HD2 LEU 4 -2.837 -5.892 -0.372
24 HD23 LEU 4 2HD2 LEU 4 -3.001 -6.766 -1.896
25 H GLN 5 H GLN 5 2.567 -6.336 -1.599
26 HA GLN 5 HA GLN 5 3.078 -8.290 -3.616
27 HB2 GLN 5 2HB GLN 5 4.485 -6.158 -2.436
28 HB3 GLN 5 3HB GLN 5 5.431 -7.601 -2.098
29 HG2 GLN 5 2HG GLN 5 5.090 -8.094 -4.626
30 HG3 GLN 5 3HG GLN 5 4.728 -6.371 -4.722
31 HE21 GLN 5 1HE2 GLN 5 6.928 -7.781 -5.917
32 HE22 GLN 5 2HE2 GLN 5 8.376 -7.093 -5.273
33 H ILE 6 H ILE 6 2.695 -8.423 -0.235
34 HA ILE 6 HA ILE 6 4.345 -10.739 0.207
35 HB ILE 6 HB ILE 6 2.504 -9.101 1.871
36 HG12 ILE 6 2HG1 ILE 6 4.836 -10.100 3.199
37 HG13 ILE 6 3HG1 ILE 6 5.297 -9.530 1.599
38 HG21 ILE 6 1HG2 ILE 6 2.851 -10.886 3.701
39 HG22 ILE 6 2HG2 ILE 6 1.580 -11.136 2.505
40 HG23 ILE 6 3HG2 ILE 6 3.114 -11.992 2.354
41 HD11 ILE 6 3HD1 ILE 6 3.893 -7.963 3.746
42 HD12 ILE 6 1HD1 ILE 6 5.544 -7.744 3.166
43 HD13 ILE 6 2HD1 ILE 6 4.181 -7.378 2.108
44 HA PRO 7 HA PRO 7 0.051 -12.942 0.468
45 HB2 PRO 7 2HB PRO 7 -2.121 -11.536 -0.356
46 HB3 PRO 7 3HB PRO 7 -1.544 -11.520 1.315
47 HG2 PRO 7 2HG PRO 7 -1.099 -9.514 -0.862
48 HG3 PRO 7 3HG PRO 7 -1.491 -9.243 0.846
49 HD2 PRO 7 2HD PRO 7 1.025 -9.005 -0.126
50 HD3 PRO 7 3HD PRO 7 0.689 -9.559 1.527
51 H PHE 8 H PHE 8 1.018 -10.886 -2.116
52 HA PHE 8 HA PHE 8 -0.510 -12.084 -4.195
53 HB2 PHE 8 2HB PHE 8 0.400 -9.879 -4.532
54 HB3 PHE 8 3HB PHE 8 2.038 -10.461 -4.252
55 HD1 PHE 8 HD2 PHE 8 -0.693 -11.853 -6.361
56 HD2 PHE 8 HD1 PHE 8 3.194 -10.125 -6.222
57 HE1 PHE 8 HE2 PHE 8 -0.431 -12.258 -8.774
58 HE2 PHE 8 HE1 PHE 8 3.462 -10.526 -8.634
59 HZ PHE 8 HZ PHE 8 1.649 -11.595 -9.913
60 H ALA 9 H ALA 9 2.596 -12.766 -2.728
61 HA ALA 9 HA ALA 9 3.368 -14.692 -4.725
62 HB1 ALA 9 1HB ALA 9 5.218 -13.711 -3.760
63 HB2 ALA 9 2HB ALA 9 4.526 -13.752 -2.137
64 HB3 ALA 9 3HB ALA 9 5.121 -15.237 -2.880
65 H MET 10 H MET 10 1.550 -14.705 -1.790
66 HA MET 10 HA MET 10 1.758 -17.594 -1.479
67 HB2 MET 10 2HB MET 10 1.436 -15.549 0.329
68 HB3 MET 10 3HB MET 10 -0.197 -16.187 0.191
69 HG2 MET 10 2HG MET 10 0.446 -17.633 1.757
70 HG3 MET 10 3HG MET 10 1.258 -18.469 0.436
71 HE1 MET 10 3HE MET 10 3.633 -17.122 -0.406
72 HE2 MET 10 1HE MET 10 4.932 -17.371 0.761
73 HE3 MET 10 2HE MET 10 3.913 -18.726 0.274
74 H GLN 11 H GLN 11 -0.445 -15.177 -2.674
75 HA GLN 11 HA GLN 11 -2.713 -16.937 -2.804
76 HB2 GLN 11 2HB GLN 11 -3.878 -15.128 -3.798
77 HB3 GLN 11 3HB GLN 11 -2.822 -14.417 -2.585
78 HG2 GLN 11 2HG GLN 11 -2.287 -12.997 -4.225
79 HG3 GLN 11 3HG GLN 11 -1.226 -14.300 -4.758
80 HE21 GLN 11 1HE2 GLN 11 -3.790 -12.286 -5.579
81 HE22 GLN 11 2HE2 GLN 11 -4.247 -13.049 -7.060
82 H MET 12 H MET 12 -0.068 -16.067 -4.880
83 HA MET 12 HA MET 12 -1.310 -17.315 -7.203
84 HB2 MET 12 2HB MET 12 1.047 -15.576 -6.732
85 HB3 MET 12 3HB MET 12 1.160 -16.710 -8.071
86 HG2 MET 12 2HG MET 12 -1.263 -15.680 -8.563
87 HG3 MET 12 3HG MET 12 -0.514 -14.306 -7.753
88 HE1 MET 12 3HE MET 12 -1.366 -13.575 -10.613
89 HE2 MET 12 1HE MET 12 -0.495 -14.344 -11.939
90 HE3 MET 12 2HE MET 12 -1.534 -15.309 -10.891
91 H ALA 13 H ALA 13 0.962 -18.020 -4.700
92 HA ALA 13 HA ALA 13 2.464 -20.048 -5.927
93 HB1 ALA 13 1HB ALA 13 1.794 -19.388 -3.090
94 HB2 ALA 13 2HB ALA 13 2.655 -20.879 -3.473
95 HB3 ALA 13 3HB ALA 13 3.349 -19.321 -3.920
96 H TYR 14 H TYR 14 -0.669 -20.107 -4.319
97 HA TYR 14 HA TYR 14 -0.873 -22.994 -4.650
98 HB2 TYR 14 2HB TYR 14 -2.521 -22.948 -3.076
99 HB3 TYR 14 3HB TYR 14 -1.746 -21.425 -2.657
100 HD1 TYR 14 HD1 TYR 14 -2.693 -19.295 -3.787
101 HD2 TYR 14 HD2 TYR 14 -4.790 -22.992 -3.589
102 HE1 TYR 14 HE1 TYR 14 -4.812 -18.106 -4.169
103 HE2 TYR 14 HE2 TYR 14 -6.915 -21.814 -3.973
104 HH TYR 14 HH TYR 14 -7.676 -19.189 -3.487
105 H ARG 15 H ARG 15 -2.074 -20.036 -6.048
106 HA ARG 15 HA ARG 15 -4.296 -20.984 -7.435
107 HB2 ARG 15 2HB ARG 15 -2.808 -18.596 -7.328
108 HB3 ARG 15 3HB ARG 15 -2.851 -19.062 -9.023
109 HG2 ARG 15 2HG ARG 15 -5.309 -18.895 -7.302
110 HG3 ARG 15 3HG ARG 15 -4.697 -17.544 -8.258
111 HD2 ARG 15 2HD ARG 15 -4.747 -19.681 -10.029
112 HD3 ARG 15 3HD ARG 15 -6.225 -19.862 -9.085
113 HE ARG 15 HE ARG 15 -5.884 -17.181 -9.956
114 HH11 ARG 15 1HH1 ARG 15 -6.833 -20.348 -11.045
115 HH12 ARG 15 2HH1 ARG 15 -7.862 -19.750 -12.304
116 HH21 ARG 15 1HH2 ARG 15 -7.235 -16.380 -11.610
117 HH22 ARG 15 2HH2 ARG 15 -8.089 -17.493 -12.625
118 H PHE 16 H PHE 16 -0.949 -21.562 -7.950
119 HA PHE 16 HA PHE 16 -0.761 -22.038 -10.657
120 HB2 PHE 16 2HB PHE 16 0.525 -23.564 -8.384
121 HB3 PHE 16 3HB PHE 16 1.008 -23.702 -10.072
122 HD1 PHE 16 HD1 PHE 16 0.424 -20.604 -10.482
123 HD2 PHE 16 HD2 PHE 16 2.803 -22.891 -7.793
124 HE1 PHE 16 HE1 PHE 16 1.944 -18.689 -10.202
125 HE2 PHE 16 HE2 PHE 16 4.325 -20.980 -7.509
126 HZ PHE 16 HZ PHE 16 3.896 -18.875 -8.713
Start of MODEL 16
1 H1 GLY 1 H GLY 1 2.011 0.057 -4.319
2 HA2 GLY 1 2HA GLY 1 0.684 -1.546 -2.548
3 HA3 GLY 1 3HA GLY 1 1.043 -2.030 -4.199
4 H ALA 2 H ALA 2 3.184 -1.519 -1.407
5 HA ALA 2 HA ALA 2 4.621 -3.933 -1.977
6 HB1 ALA 2 1HB ALA 2 6.140 -3.255 -0.380
7 HB2 ALA 2 2HB ALA 2 5.467 -1.713 -0.910
8 HB3 ALA 2 3HB ALA 2 4.914 -2.445 0.596
9 H ALA 3 H ALA 3 2.064 -2.991 0.202
10 HA ALA 3 HA ALA 3 2.263 -5.200 1.975
11 HB1 ALA 3 1HB ALA 3 1.073 -3.036 2.436
12 HB2 ALA 3 2HB ALA 3 -0.223 -3.609 1.384
13 HB3 ALA 3 3HB ALA 3 0.173 -4.494 2.857
14 H LEU 4 H LEU 4 0.833 -4.751 -1.154
15 HA LEU 4 HA LEU 4 -0.744 -7.186 -0.968
16 HB2 LEU 4 2HB LEU 4 -0.474 -4.961 -2.915
17 HB3 LEU 4 3HB LEU 4 -1.018 -6.523 -3.523
18 HG LEU 4 HG LEU 4 -2.405 -5.294 -1.180
19 HD11 LEU 4 1HD1 LEU 4 -3.287 -3.607 -2.317
20 HD12 LEU 4 2HD1 LEU 4 -3.714 -4.662 -3.663
21 HD13 LEU 4 3HD1 LEU 4 -2.113 -3.926 -3.594
22 HD21 LEU 4 3HD2 LEU 4 -3.599 -6.812 -3.470
23 HD22 LEU 4 1HD2 LEU 4 -4.189 -6.641 -1.816
24 HD23 LEU 4 2HD2 LEU 4 -2.783 -7.652 -2.151
25 H GLN 5 H GLN 5 2.391 -6.257 -1.871
26 HA GLN 5 HA GLN 5 2.860 -8.223 -3.886
27 HB2 GLN 5 2HB GLN 5 4.199 -6.126 -3.596
28 HB3 GLN 5 3HB GLN 5 4.895 -6.829 -2.142
29 HG2 GLN 5 2HG GLN 5 5.166 -8.682 -4.292
30 HG3 GLN 5 3HG GLN 5 5.764 -7.105 -4.804
31 HE21 GLN 5 1HE2 GLN 5 6.475 -9.925 -3.150
32 HE22 GLN 5 2HE2 GLN 5 7.929 -9.411 -2.371
33 H ILE 6 H ILE 6 2.640 -8.322 -0.490
34 HA ILE 6 HA ILE 6 4.372 -10.587 -0.099
35 HB ILE 6 HB ILE 6 2.567 -8.977 1.631
36 HG12 ILE 6 2HG1 ILE 6 4.880 -9.736 2.991
37 HG13 ILE 6 3HG1 ILE 6 5.401 -9.544 1.321
38 HG21 ILE 6 1HG2 ILE 6 3.280 -11.844 2.118
39 HG22 ILE 6 2HG2 ILE 6 3.050 -10.728 3.463
40 HG23 ILE 6 3HG2 ILE 6 1.731 -11.029 2.332
41 HD11 ILE 6 3HD1 ILE 6 4.811 -7.549 3.288
42 HD12 ILE 6 1HD1 ILE 6 5.544 -7.372 1.694
43 HD13 ILE 6 2HD1 ILE 6 3.789 -7.330 1.868
44 HA PRO 7 HA PRO 7 0.157 -12.900 0.392
45 HB2 PRO 7 2HB PRO 7 -2.089 -11.564 -0.346
46 HB3 PRO 7 3HB PRO 7 -1.434 -11.511 1.296
47 HG2 PRO 7 2HG PRO 7 -1.147 -9.522 -0.924
48 HG3 PRO 7 3HG PRO 7 -1.466 -9.239 0.797
49 HD2 PRO 7 2HD PRO 7 0.994 -8.947 -0.296
50 HD3 PRO 7 3HD PRO 7 0.751 -9.487 1.378
51 H PHE 8 H PHE 8 0.952 -10.859 -2.259
52 HA PHE 8 HA PHE 8 -0.638 -12.135 -4.247
53 HB2 PHE 8 2HB PHE 8 0.155 -9.910 -4.676
54 HB3 PHE 8 3HB PHE 8 1.828 -10.400 -4.431
55 HD1 PHE 8 HD2 PHE 8 -0.879 -11.987 -6.431
56 HD2 PHE 8 HD1 PHE 8 2.907 -10.042 -6.440
57 HE1 PHE 8 HE2 PHE 8 -0.660 -12.432 -8.840
58 HE2 PHE 8 HE1 PHE 8 3.131 -10.482 -8.850
59 HZ PHE 8 HZ PHE 8 1.347 -11.680 -10.053
60 H ALA 9 H ALA 9 2.561 -12.676 -2.930
61 HA ALA 9 HA ALA 9 3.317 -14.591 -4.939
62 HB1 ALA 9 1HB ALA 9 4.541 -13.524 -2.447
63 HB2 ALA 9 2HB ALA 9 5.129 -15.061 -3.083
64 HB3 ALA 9 3HB ALA 9 5.195 -13.610 -4.083
65 H MET 10 H MET 10 1.618 -14.654 -1.934
66 HA MET 10 HA MET 10 1.938 -17.534 -1.629
67 HB2 MET 10 2HB MET 10 1.323 -15.348 0.120
68 HB3 MET 10 3HB MET 10 0.029 -16.535 0.208
69 HG2 MET 10 2HG MET 10 2.702 -17.702 0.290
70 HG3 MET 10 3HG MET 10 2.356 -16.608 1.628
71 HE1 MET 10 3HE MET 10 1.376 -20.876 1.486
72 HE2 MET 10 1HE MET 10 2.208 -19.958 0.231
73 HE3 MET 10 2HE MET 10 2.848 -19.984 1.874
74 H GLN 11 H GLN 11 -0.419 -15.180 -2.672
75 HA GLN 11 HA GLN 11 -2.627 -17.009 -2.706
76 HB2 GLN 11 2HB GLN 11 -3.889 -15.240 -3.652
77 HB3 GLN 11 3HB GLN 11 -2.796 -14.491 -2.495
78 HG2 GLN 11 2HG GLN 11 -2.405 -13.066 -4.177
79 HG3 GLN 11 3HG GLN 11 -1.304 -14.328 -4.727
80 HE21 GLN 11 1HE2 GLN 11 -2.797 -12.287 -6.224
81 HE22 GLN 11 2HE2 GLN 11 -3.728 -13.154 -7.393
82 H MET 12 H MET 12 -0.111 -16.080 -4.912
83 HA MET 12 HA MET 12 -1.427 -17.376 -7.167
84 HB2 MET 12 2HB MET 12 0.221 -15.206 -7.030
85 HB3 MET 12 3HB MET 12 1.355 -16.470 -7.489
86 HG2 MET 12 2HG MET 12 -0.470 -17.038 -9.274
87 HG3 MET 12 3HG MET 12 -0.970 -15.373 -8.984
88 HE1 MET 12 3HE MET 12 -0.496 -16.355 -11.504
89 HE2 MET 12 1HE MET 12 0.227 -14.877 -12.139
90 HE3 MET 12 2HE MET 12 1.110 -16.401 -12.232
91 H ALA 13 H ALA 13 0.924 -18.035 -4.744
92 HA ALA 13 HA ALA 13 2.433 -20.027 -6.044
93 HB1 ALA 13 1HB ALA 13 1.998 -19.168 -3.253
94 HB2 ALA 13 2HB ALA 13 2.588 -20.814 -3.484
95 HB3 ALA 13 3HB ALA 13 3.499 -19.452 -4.135
96 H TYR 14 H TYR 14 -0.611 -20.134 -4.278
97 HA TYR 14 HA TYR 14 -0.766 -23.030 -4.566
98 HB2 TYR 14 2HB TYR 14 -2.335 -23.004 -2.910
99 HB3 TYR 14 3HB TYR 14 -1.559 -21.468 -2.539
100 HD1 TYR 14 HD1 TYR 14 -2.593 -19.362 -3.667
101 HD2 TYR 14 HD2 TYR 14 -4.630 -23.075 -3.257
102 HE1 TYR 14 HE1 TYR 14 -4.746 -18.204 -3.939
103 HE2 TYR 14 HE2 TYR 14 -6.789 -21.928 -3.529
104 HH TYR 14 HH TYR 14 -7.647 -19.833 -4.530
105 H ARG 15 H ARG 15 -2.071 -20.119 -5.951
106 HA ARG 15 HA ARG 15 -4.362 -21.107 -7.192
107 HB2 ARG 15 2HB ARG 15 -2.891 -18.709 -7.214
108 HB3 ARG 15 3HB ARG 15 -3.012 -19.212 -8.895
109 HG2 ARG 15 2HG ARG 15 -5.551 -19.581 -8.172
110 HG3 ARG 15 3HG ARG 15 -5.114 -18.314 -7.024
111 HD2 ARG 15 2HD ARG 15 -4.107 -17.687 -9.644
112 HD3 ARG 15 3HD ARG 15 -5.839 -18.014 -9.715
113 HE ARG 15 HE ARG 15 -5.235 -16.279 -7.559
114 HH11 ARG 15 1HH1 ARG 15 -5.529 -16.358 -11.027
115 HH12 ARG 15 2HH1 ARG 15 -5.946 -14.682 -11.160
116 HH21 ARG 15 1HH2 ARG 15 -5.783 -14.071 -7.721
117 HH22 ARG 15 2HH2 ARG 15 -6.089 -13.382 -9.279
118 H PHE 16 H PHE 16 -1.051 -21.704 -7.861
119 HA PHE 16 HA PHE 16 -0.983 -22.222 -10.563
120 HB2 PHE 16 2HB PHE 16 0.377 -23.738 -8.327
121 HB3 PHE 16 3HB PHE 16 0.789 -23.900 -10.031
122 HD1 PHE 16 HD1 PHE 16 0.261 -20.823 -10.503
123 HD2 PHE 16 HD2 PHE 16 2.650 -23.064 -7.785
124 HE1 PHE 16 HE1 PHE 16 1.813 -18.924 -10.306
125 HE2 PHE 16 HE2 PHE 16 4.205 -21.169 -7.583
126 HZ PHE 16 HZ PHE 16 3.788 -19.095 -8.844
Start of MODEL 17
1 H1 GLY 1 H GLY 1 3.982 0.421 1.409
2 HA2 GLY 1 2HA GLY 1 1.972 0.445 -0.673
3 HA3 GLY 1 3HA GLY 1 3.698 0.706 -0.881
4 H ALA 2 H ALA 2 4.527 -1.718 0.423
5 HA ALA 2 HA ALA 2 3.938 -3.577 -1.755
6 HB1 ALA 2 1HB ALA 2 5.878 -4.862 -0.735
7 HB2 ALA 2 2HB ALA 2 6.254 -3.297 -1.457
8 HB3 ALA 2 3HB ALA 2 6.131 -3.453 0.296
9 H ALA 3 H ALA 3 2.082 -3.040 0.508
10 HA ALA 3 HA ALA 3 2.109 -5.274 2.264
11 HB1 ALA 3 1HB ALA 3 0.727 -2.897 2.137
12 HB2 ALA 3 2HB ALA 3 -0.517 -4.105 1.815
13 HB3 ALA 3 3HB ALA 3 0.444 -4.201 3.290
14 H LEU 4 H LEU 4 0.826 -4.716 -0.924
15 HA LEU 4 HA LEU 4 -0.778 -7.140 -0.870
16 HB2 LEU 4 2HB LEU 4 -1.463 -4.992 -2.024
17 HB3 LEU 4 3HB LEU 4 -0.235 -5.360 -3.233
18 HG LEU 4 HG LEU 4 -1.660 -7.663 -3.249
19 HD11 LEU 4 1HD1 LEU 4 -4.078 -6.712 -3.426
20 HD12 LEU 4 2HD1 LEU 4 -3.468 -5.474 -2.329
21 HD13 LEU 4 3HD1 LEU 4 -3.424 -7.171 -1.854
22 HD21 LEU 4 3HD2 LEU 4 -1.808 -5.141 -4.838
23 HD22 LEU 4 1HD2 LEU 4 -2.926 -6.458 -5.193
24 HD23 LEU 4 2HD2 LEU 4 -1.186 -6.727 -5.296
25 H GLN 5 H GLN 5 2.396 -6.215 -1.631
26 HA GLN 5 HA GLN 5 2.919 -8.126 -3.686
27 HB2 GLN 5 2HB GLN 5 4.250 -5.948 -2.736
28 HB3 GLN 5 3HB GLN 5 5.184 -7.253 -2.015
29 HG2 GLN 5 2HG GLN 5 5.229 -8.240 -4.391
30 HG3 GLN 5 3HG GLN 5 4.749 -6.623 -4.905
31 HE21 GLN 5 1HE2 GLN 5 7.276 -8.368 -5.051
32 HE22 GLN 5 2HE2 GLN 5 8.536 -7.276 -4.600
33 H ILE 6 H ILE 6 2.578 -8.321 -0.304
34 HA ILE 6 HA ILE 6 4.277 -10.611 0.082
35 HB ILE 6 HB ILE 6 2.421 -9.037 1.792
36 HG12 ILE 6 2HG1 ILE 6 4.862 -8.576 1.640
37 HG13 ILE 6 3HG1 ILE 6 4.339 -8.979 3.272
38 HG21 ILE 6 1HG2 ILE 6 2.822 -10.844 3.588
39 HG22 ILE 6 2HG2 ILE 6 1.545 -11.101 2.401
40 HG23 ILE 6 3HG2 ILE 6 3.094 -11.923 2.221
41 HD11 ILE 6 3HD1 ILE 6 5.225 -11.283 1.718
42 HD12 ILE 6 1HD1 ILE 6 6.474 -10.066 1.982
43 HD13 ILE 6 2HD1 ILE 6 5.639 -10.787 3.359
44 HA PRO 7 HA PRO 7 0.029 -12.902 0.350
45 HB2 PRO 7 2HB PRO 7 -2.178 -11.526 -0.429
46 HB3 PRO 7 3HB PRO 7 -1.584 -11.526 1.236
47 HG2 PRO 7 2HG PRO 7 -1.201 -9.477 -0.913
48 HG3 PRO 7 3HG PRO 7 -1.580 -9.241 0.803
49 HD2 PRO 7 2HD PRO 7 0.920 -8.938 -0.190
50 HD3 PRO 7 3HD PRO 7 0.612 -9.525 1.457
51 H PHE 8 H PHE 8 0.935 -10.790 -2.209
52 HA PHE 8 HA PHE 8 -0.590 -11.994 -4.291
53 HB2 PHE 8 2HB PHE 8 0.254 -9.755 -4.595
54 HB3 PHE 8 3HB PHE 8 1.911 -10.299 -4.357
55 HD1 PHE 8 HD2 PHE 8 -0.828 -11.712 -6.444
56 HD2 PHE 8 HD1 PHE 8 3.026 -9.907 -6.338
57 HE1 PHE 8 HE2 PHE 8 -0.600 -12.064 -8.868
58 HE2 PHE 8 HE1 PHE 8 3.260 -10.256 -8.762
59 HZ PHE 8 HZ PHE 8 1.446 -11.337 -10.030
60 H ALA 9 H ALA 9 2.554 -12.603 -2.872
61 HA ALA 9 HA ALA 9 3.350 -14.480 -4.908
62 HB1 ALA 9 1HB ALA 9 5.379 -14.241 -4.027
63 HB2 ALA 9 2HB ALA 9 4.679 -13.026 -2.956
64 HB3 ALA 9 3HB ALA 9 4.813 -14.701 -2.421
65 H MET 10 H MET 10 1.583 -14.580 -1.946
66 HA MET 10 HA MET 10 1.889 -17.465 -1.671
67 HB2 MET 10 2HB MET 10 0.433 -15.406 -0.011
68 HB3 MET 10 3HB MET 10 0.396 -17.130 0.332
69 HG2 MET 10 2HG MET 10 3.086 -16.578 0.104
70 HG3 MET 10 3HG MET 10 2.436 -15.156 0.916
71 HE1 MET 10 3HE MET 10 2.502 -14.850 2.933
72 HE2 MET 10 1HE MET 10 1.253 -15.663 3.877
73 HE3 MET 10 2HE MET 10 2.955 -15.979 4.211
74 H GLN 11 H GLN 11 -0.409 -15.101 -2.789
75 HA GLN 11 HA GLN 11 -2.635 -16.912 -2.881
76 HB2 GLN 11 2HB GLN 11 -3.856 -15.131 -3.857
77 HB3 GLN 11 3HB GLN 11 -2.790 -14.392 -2.670
78 HG2 GLN 11 2HG GLN 11 -2.335 -12.969 -4.336
79 HG3 GLN 11 3HG GLN 11 -1.238 -14.243 -4.866
80 HE21 GLN 11 1HE2 GLN 11 -2.734 -12.159 -6.353
81 HE22 GLN 11 2HE2 GLN 11 -3.625 -13.016 -7.559
82 H MET 12 H MET 12 -0.045 -16.002 -5.008
83 HA MET 12 HA MET 12 -1.306 -17.280 -7.304
84 HB2 MET 12 2HB MET 12 1.014 -15.486 -6.880
85 HB3 MET 12 3HB MET 12 1.151 -16.636 -8.203
86 HG2 MET 12 2HG MET 12 -1.387 -15.167 -8.085
87 HG3 MET 12 3HG MET 12 0.040 -14.185 -8.407
88 HE1 MET 12 3HE MET 12 -2.720 -15.415 -9.741
89 HE2 MET 12 1HE MET 12 -2.422 -15.836 -11.428
90 HE3 MET 12 2HE MET 12 -2.345 -17.082 -10.183
91 H ALA 13 H ALA 13 1.022 -17.937 -4.840
92 HA ALA 13 HA ALA 13 2.536 -19.943 -6.086
93 HB1 ALA 13 1HB ALA 13 2.614 -20.754 -3.540
94 HB2 ALA 13 2HB ALA 13 3.529 -19.367 -4.134
95 HB3 ALA 13 3HB ALA 13 1.995 -19.120 -3.298
96 H TYR 14 H TYR 14 -0.567 -20.048 -4.423
97 HA TYR 14 HA TYR 14 -0.727 -22.940 -4.737
98 HB2 TYR 14 2HB TYR 14 -2.347 -22.915 -3.135
99 HB3 TYR 14 3HB TYR 14 -1.591 -21.376 -2.736
100 HD1 TYR 14 HD1 TYR 14 -2.595 -19.268 -3.857
101 HD2 TYR 14 HD2 TYR 14 -4.624 -23.000 -3.608
102 HE1 TYR 14 HE1 TYR 14 -4.741 -18.119 -4.207
103 HE2 TYR 14 HE2 TYR 14 -6.775 -21.861 -3.958
104 HH TYR 14 HH TYR 14 -6.929 -18.381 -4.595
105 H ARG 15 H ARG 15 -2.002 -20.009 -6.126
106 HA ARG 15 HA ARG 15 -4.232 -21.001 -7.470
107 HB2 ARG 15 2HB ARG 15 -2.784 -18.587 -7.398
108 HB3 ARG 15 3HB ARG 15 -2.850 -19.061 -9.091
109 HG2 ARG 15 2HG ARG 15 -5.232 -18.794 -7.268
110 HG3 ARG 15 3HG ARG 15 -4.706 -17.594 -8.450
111 HD2 ARG 15 2HD ARG 15 -4.848 -19.910 -9.930
112 HD3 ARG 15 3HD ARG 15 -6.213 -20.061 -8.824
113 HE ARG 15 HE ARG 15 -6.122 -17.481 -10.017
114 HH11 ARG 15 1HH1 ARG 15 -7.002 -20.795 -10.622
115 HH12 ARG 15 2HH1 ARG 15 -8.192 -20.397 -11.817
116 HH21 ARG 15 1HH2 ARG 15 -7.686 -16.945 -11.588
117 HH22 ARG 15 2HH2 ARG 15 -8.579 -18.207 -12.366
118 H PHE 16 H PHE 16 -0.885 -21.523 -8.041
119 HA PHE 16 HA PHE 16 -0.738 -22.007 -10.750
120 HB2 PHE 16 2HB PHE 16 0.617 -23.499 -8.495
121 HB3 PHE 16 3HB PHE 16 1.072 -23.636 -10.190
122 HD1 PHE 16 HD2 PHE 16 0.424 -20.550 -10.601
123 HD2 PHE 16 HD1 PHE 16 2.892 -22.784 -7.949
124 HE1 PHE 16 HE2 PHE 16 1.913 -18.607 -10.356
125 HE2 PHE 16 HE1 PHE 16 4.385 -20.844 -7.699
126 HZ PHE 16 HZ PHE 16 3.897 -18.752 -8.904
Start of MODEL 18
1 H1 GLY 1 H GLY 1 2.647 -0.555 -4.408
2 HA2 GLY 1 2HA GLY 1 1.429 -1.131 -1.823
3 HA3 GLY 1 3HA GLY 1 1.048 -1.911 -3.352
4 H ALA 2 H ALA 2 3.786 -1.586 -1.091
5 HA ALA 2 HA ALA 2 4.941 -4.077 -1.880
6 HB1 ALA 2 1HB ALA 2 5.698 -1.854 -0.283
7 HB2 ALA 2 2HB ALA 2 5.890 -3.318 0.682
8 HB3 ALA 2 3HB ALA 2 6.702 -3.178 -0.877
9 H ALA 3 H ALA 3 2.664 -3.070 0.560
10 HA ALA 3 HA ALA 3 2.848 -5.347 2.234
11 HB1 ALA 3 1HB ALA 3 0.410 -4.570 2.811
12 HB2 ALA 3 2HB ALA 3 1.803 -3.600 3.292
13 HB3 ALA 3 3HB ALA 3 0.867 -3.151 1.867
14 H LEU 4 H LEU 4 1.273 -4.748 -0.791
15 HA LEU 4 HA LEU 4 -0.442 -7.084 -0.562
16 HB2 LEU 4 2HB LEU 4 -1.114 -4.912 -1.680
17 HB3 LEU 4 3HB LEU 4 -0.021 -5.357 -2.988
18 HG LEU 4 HG LEU 4 -1.469 -7.545 -3.040
19 HD11 LEU 4 1HD1 LEU 4 -3.878 -6.185 -2.543
20 HD12 LEU 4 2HD1 LEU 4 -2.860 -5.939 -1.124
21 HD13 LEU 4 3HD1 LEU 4 -3.217 -7.574 -1.680
22 HD21 LEU 4 3HD2 LEU 4 -2.218 -4.851 -4.146
23 HD22 LEU 4 1HD2 LEU 4 -3.065 -6.332 -4.593
24 HD23 LEU 4 2HD2 LEU 4 -1.345 -6.161 -4.943
25 H GLN 5 H GLN 5 2.694 -6.334 -1.615
26 HA GLN 5 HA GLN 5 2.933 -8.289 -3.681
27 HB2 GLN 5 2HB GLN 5 4.412 -6.193 -3.158
28 HB3 GLN 5 3HB GLN 5 5.276 -7.300 -2.099
29 HG2 GLN 5 2HG GLN 5 5.677 -8.789 -4.008
30 HG3 GLN 5 3HG GLN 5 4.854 -7.638 -5.059
31 HE21 GLN 5 1HE2 GLN 5 7.703 -8.280 -3.180
32 HE22 GLN 5 2HE2 GLN 5 8.673 -7.012 -3.840
33 H ILE 6 H ILE 6 2.888 -8.432 -0.280
34 HA ILE 6 HA ILE 6 4.497 -10.803 -0.013
35 HB ILE 6 HB ILE 6 2.882 -9.120 1.832
36 HG12 ILE 6 2HG1 ILE 6 5.148 -9.894 3.135
37 HG13 ILE 6 3HG1 ILE 6 5.674 -9.995 1.458
38 HG21 ILE 6 1HG2 ILE 6 1.963 -11.132 2.545
39 HG22 ILE 6 2HG2 ILE 6 3.447 -12.031 2.239
40 HG23 ILE 6 3HG2 ILE 6 3.352 -10.927 3.611
41 HD11 ILE 6 3HD1 ILE 6 6.028 -7.817 1.487
42 HD12 ILE 6 1HD1 ILE 6 4.300 -7.560 1.720
43 HD13 ILE 6 2HD1 ILE 6 5.367 -7.699 3.117
44 HA PRO 7 HA PRO 7 0.181 -12.871 0.663
45 HB2 PRO 7 2HB PRO 7 -2.015 -11.392 0.062
46 HB3 PRO 7 3HB PRO 7 -1.276 -11.405 1.667
47 HG2 PRO 7 2HG PRO 7 -0.983 -9.400 -0.536
48 HG3 PRO 7 3HG PRO 7 -1.197 -9.128 1.203
49 HD2 PRO 7 2HD PRO 7 1.218 -8.963 -0.012
50 HD3 PRO 7 3HD PRO 7 1.028 -9.517 1.665
51 H PHE 8 H PHE 8 0.959 -10.833 -1.997
52 HA PHE 8 HA PHE 8 -0.780 -12.115 -3.896
53 HB2 PHE 8 2HB PHE 8 -0.176 -9.822 -4.305
54 HB3 PHE 8 3HB PHE 8 1.540 -10.208 -4.227
55 HD1 PHE 8 HD2 PHE 8 -1.230 -11.919 -6.027
56 HD2 PHE 8 HD1 PHE 8 2.402 -9.719 -6.313
57 HE1 PHE 8 HE2 PHE 8 -1.206 -12.282 -8.461
58 HE2 PHE 8 HE1 PHE 8 2.432 -10.077 -8.747
59 HZ PHE 8 HZ PHE 8 0.627 -11.361 -9.824
60 H ALA 9 H ALA 9 2.445 -12.578 -2.701
61 HA ALA 9 HA ALA 9 3.264 -14.303 -4.864
62 HB1 ALA 9 1HB ALA 9 5.256 -14.715 -3.418
63 HB2 ALA 9 2HB ALA 9 4.969 -13.015 -3.792
64 HB3 ALA 9 3HB ALA 9 4.531 -13.655 -2.208
65 H MET 10 H MET 10 1.658 -14.638 -1.824
66 HA MET 10 HA MET 10 2.129 -17.514 -1.718
67 HB2 MET 10 2HB MET 10 1.144 -17.471 0.441
68 HB3 MET 10 3HB MET 10 2.162 -16.041 0.341
69 HG2 MET 10 2HG MET 10 0.169 -14.690 -0.168
70 HG3 MET 10 3HG MET 10 -0.828 -16.131 0.019
71 HE1 MET 10 3HE MET 10 -1.425 -17.257 2.218
72 HE2 MET 10 1HE MET 10 0.270 -17.666 2.487
73 HE3 MET 10 2HE MET 10 -0.670 -16.912 3.775
74 H GLN 11 H GLN 11 -0.317 -15.227 -2.632
75 HA GLN 11 HA GLN 11 -2.471 -17.130 -2.659
76 HB2 GLN 11 2HB GLN 11 -3.822 -15.373 -3.489
77 HB3 GLN 11 3HB GLN 11 -2.715 -14.625 -2.345
78 HG2 GLN 11 2HG GLN 11 -2.499 -13.129 -4.013
79 HG3 GLN 11 3HG GLN 11 -1.294 -14.287 -4.572
80 HE21 GLN 11 1HE2 GLN 11 -4.462 -12.973 -5.079
81 HE22 GLN 11 2HE2 GLN 11 -4.723 -13.659 -6.642
82 H MET 12 H MET 12 -0.049 -16.023 -4.888
83 HA MET 12 HA MET 12 -1.378 -17.275 -7.160
84 HB2 MET 12 2HB MET 12 0.713 -15.273 -6.791
85 HB3 MET 12 3HB MET 12 1.126 -16.465 -8.016
86 HG2 MET 12 2HG MET 12 -1.325 -15.956 -8.840
87 HG3 MET 12 3HG MET 12 -1.041 -14.440 -7.988
88 HE1 MET 12 3HE MET 12 -0.497 -16.469 -11.180
89 HE2 MET 12 1HE MET 12 -1.586 -15.080 -11.201
90 HE3 MET 12 2HE MET 12 -0.126 -15.071 -12.192
91 H ALA 13 H ALA 13 1.111 -17.911 -4.853
92 HA ALA 13 HA ALA 13 2.642 -19.796 -6.258
93 HB1 ALA 13 1HB ALA 13 2.174 -19.197 -3.380
94 HB2 ALA 13 2HB ALA 13 2.995 -20.697 -3.812
95 HB3 ALA 13 3HB ALA 13 3.668 -19.147 -4.317
96 H TYR 14 H TYR 14 -0.354 -20.109 -4.433
97 HA TYR 14 HA TYR 14 -0.401 -22.992 -4.853
98 HB2 TYR 14 2HB TYR 14 -1.928 -23.103 -3.165
99 HB3 TYR 14 3HB TYR 14 -1.220 -21.547 -2.746
100 HD1 TYR 14 HD1 TYR 14 -2.380 -19.448 -3.727
101 HD2 TYR 14 HD2 TYR 14 -4.222 -23.277 -3.514
102 HE1 TYR 14 HE1 TYR 14 -4.591 -18.388 -3.913
103 HE2 TYR 14 HE2 TYR 14 -6.438 -22.228 -3.701
104 HH TYR 14 HH TYR 14 -7.567 -20.297 -3.705
105 H ARG 15 H ARG 15 -1.884 -20.075 -6.053
106 HA ARG 15 HA ARG 15 -4.139 -21.120 -7.310
107 HB2 ARG 15 2HB ARG 15 -2.799 -18.646 -7.223
108 HB3 ARG 15 3HB ARG 15 -2.938 -19.060 -8.927
109 HG2 ARG 15 2HG ARG 15 -5.311 -19.237 -7.115
110 HG3 ARG 15 3HG ARG 15 -4.815 -17.695 -7.817
111 HD2 ARG 15 2HD ARG 15 -4.891 -19.842 -9.774
112 HD3 ARG 15 3HD ARG 15 -6.452 -19.586 -8.994
113 HE ARG 15 HE ARG 15 -5.193 -17.166 -9.906
114 HH11 ARG 15 1HH1 ARG 15 -7.256 -19.831 -10.775
115 HH12 ARG 15 2HH1 ARG 15 -8.041 -18.975 -12.061
116 HH21 ARG 15 1HH2 ARG 15 -6.218 -16.028 -11.597
117 HH22 ARG 15 2HH2 ARG 15 -7.448 -16.812 -12.528
118 H PHE 16 H PHE 16 -0.810 -21.465 -8.084
119 HA PHE 16 HA PHE 16 -0.794 -21.842 -10.813
120 HB2 PHE 16 2HB PHE 16 0.748 -23.354 -8.696
121 HB3 PHE 16 3HB PHE 16 1.113 -23.407 -10.417
122 HD1 PHE 16 HD1 PHE 16 0.312 -20.341 -10.673
123 HD2 PHE 16 HD2 PHE 16 3.017 -22.555 -8.244
124 HE1 PHE 16 HE1 PHE 16 1.727 -18.343 -10.433
125 HE2 PHE 16 HE2 PHE 16 4.436 -20.560 -8.000
126 HZ PHE 16 HZ PHE 16 3.791 -18.450 -9.094
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.727 -1.867 -4.872
2 HA2 GLY 1 2HA GLY 1 1.349 -1.088 -2.118
3 HA3 GLY 1 3HA GLY 1 0.634 -2.480 -2.919
4 H ALA 2 H ALA 2 3.269 -1.311 -1.011
5 HA ALA 2 HA ALA 2 4.993 -3.532 -1.197
6 HB1 ALA 2 1HB ALA 2 4.964 -2.182 1.398
7 HB2 ALA 2 2HB ALA 2 6.279 -2.396 0.242
8 HB3 ALA 2 3HB ALA 2 5.112 -1.093 0.019
9 H ALA 3 H ALA 3 2.104 -2.938 0.666
10 HA ALA 3 HA ALA 3 2.503 -5.191 2.425
11 HB1 ALA 3 1HB ALA 3 0.428 -3.099 2.078
12 HB2 ALA 3 2HB ALA 3 -0.046 -4.608 2.859
13 HB3 ALA 3 3HB ALA 3 1.263 -3.638 3.535
14 H LEU 4 H LEU 4 1.019 -4.590 -0.644
15 HA LEU 4 HA LEU 4 -0.517 -7.058 -0.584
16 HB2 LEU 4 2HB LEU 4 -0.196 -4.852 -2.595
17 HB3 LEU 4 3HB LEU 4 -1.035 -6.352 -2.984
18 HG LEU 4 HG LEU 4 -1.988 -4.991 -0.557
19 HD11 LEU 4 1HD1 LEU 4 -3.349 -3.626 -2.540
20 HD12 LEU 4 2HD1 LEU 4 -1.659 -3.523 -3.034
21 HD13 LEU 4 3HD1 LEU 4 -2.147 -2.955 -1.437
22 HD21 LEU 4 3HD2 LEU 4 -3.092 -6.956 -1.442
23 HD22 LEU 4 1HD2 LEU 4 -3.320 -6.159 -2.999
24 HD23 LEU 4 2HD2 LEU 4 -4.160 -5.558 -1.569
25 H GLN 5 H GLN 5 2.594 -6.027 -1.460
26 HA GLN 5 HA GLN 5 3.075 -7.867 -3.588
27 HB2 GLN 5 2HB GLN 5 4.482 -5.753 -2.310
28 HB3 GLN 5 3HB GLN 5 5.502 -7.184 -2.246
29 HG2 GLN 5 2HG GLN 5 4.692 -7.292 -4.811
30 HG3 GLN 5 3HG GLN 5 4.670 -5.550 -4.543
31 HE21 GLN 5 1HE2 GLN 5 6.418 -7.173 -6.228
32 HE22 GLN 5 2HE2 GLN 5 8.030 -6.844 -5.700
33 H ILE 6 H ILE 6 2.889 -8.162 -0.201
34 HA ILE 6 HA ILE 6 4.661 -10.418 0.045
35 HB ILE 6 HB ILE 6 2.846 -8.939 1.880
36 HG12 ILE 6 2HG1 ILE 6 5.266 -8.410 1.631
37 HG13 ILE 6 3HG1 ILE 6 4.827 -8.868 3.273
38 HG21 ILE 6 1HG2 ILE 6 2.051 -11.041 2.469
39 HG22 ILE 6 2HG2 ILE 6 3.611 -11.816 2.195
40 HG23 ILE 6 3HG2 ILE 6 3.375 -10.783 3.605
41 HD11 ILE 6 3HD1 ILE 6 6.190 -10.627 3.257
42 HD12 ILE 6 1HD1 ILE 6 5.691 -11.118 1.638
43 HD13 ILE 6 2HD1 ILE 6 6.923 -9.871 1.842
44 HA PRO 7 HA PRO 7 0.488 -12.824 0.439
45 HB2 PRO 7 2HB PRO 7 -1.786 -11.485 -0.201
46 HB3 PRO 7 3HB PRO 7 -1.116 -11.515 1.435
47 HG2 PRO 7 2HG PRO 7 -0.883 -9.399 -0.670
48 HG3 PRO 7 3HG PRO 7 -1.189 -9.220 1.068
49 HD2 PRO 7 2HD PRO 7 1.255 -8.825 -0.029
50 HD3 PRO 7 3HD PRO 7 1.037 -9.464 1.613
51 H PHE 8 H PHE 8 1.181 -10.594 -2.099
52 HA PHE 8 HA PHE 8 -0.396 -11.781 -4.142
53 HB2 PHE 8 2HB PHE 8 0.386 -9.525 -4.435
54 HB3 PHE 8 3HB PHE 8 2.063 -10.029 -4.259
55 HD1 PHE 8 HD2 PHE 8 -0.701 -11.466 -6.296
56 HD2 PHE 8 HD1 PHE 8 3.108 -9.567 -6.262
57 HE1 PHE 8 HE2 PHE 8 -0.538 -11.758 -8.733
58 HE2 PHE 8 HE1 PHE 8 3.277 -9.856 -8.700
59 HZ PHE 8 HZ PHE 8 1.454 -10.954 -9.938
60 H ALA 9 H ALA 9 2.812 -12.383 -2.878
61 HA ALA 9 HA ALA 9 3.648 -14.104 -5.000
62 HB1 ALA 9 1HB ALA 9 4.714 -13.277 -2.370
63 HB2 ALA 9 2HB ALA 9 5.276 -14.825 -3.002
64 HB3 ALA 9 3HB ALA 9 5.504 -13.352 -3.945
65 H MET 10 H MET 10 1.933 -14.532 -1.985
66 HA MET 10 HA MET 10 2.136 -17.423 -2.091
67 HB2 MET 10 2HB MET 10 1.710 -15.572 -0.055
68 HB3 MET 10 3HB MET 10 0.156 -16.375 -0.240
69 HG2 MET 10 2HG MET 10 2.403 -18.224 -0.227
70 HG3 MET 10 3HG MET 10 2.273 -17.272 1.250
71 HE1 MET 10 3HE MET 10 -0.124 -18.857 3.285
72 HE2 MET 10 1HE MET 10 1.361 -19.730 2.905
73 HE3 MET 10 2HE MET 10 1.375 -17.970 3.009
74 H GLN 11 H GLN 11 -0.203 -14.908 -2.805
75 HA GLN 11 HA GLN 11 -2.489 -16.506 -3.076
76 HB2 GLN 11 2HB GLN 11 -2.618 -14.077 -2.978
77 HB3 GLN 11 3HB GLN 11 -1.747 -13.945 -4.500
78 HG2 GLN 11 2HG GLN 11 -4.102 -15.612 -4.738
79 HG3 GLN 11 3HG GLN 11 -4.487 -13.992 -4.159
80 HE21 GLN 11 1HE2 GLN 11 -4.873 -15.465 -6.770
81 HE22 GLN 11 2HE2 GLN 11 -4.269 -14.372 -7.964
82 H MET 12 H MET 12 0.252 -16.047 -5.145
83 HA MET 12 HA MET 12 -1.078 -17.291 -7.420
84 HB2 MET 12 2HB MET 12 1.122 -15.504 -7.086
85 HB3 MET 12 3HB MET 12 1.707 -16.953 -7.893
86 HG2 MET 12 2HG MET 12 0.114 -16.700 -9.653
87 HG3 MET 12 3HG MET 12 -0.689 -15.383 -8.802
88 HE1 MET 12 3HE MET 12 0.427 -14.038 -11.914
89 HE2 MET 12 1HE MET 12 1.788 -15.144 -12.102
90 HE3 MET 12 2HE MET 12 0.215 -15.761 -11.599
91 H ALA 13 H ALA 13 1.056 -18.087 -4.825
92 HA ALA 13 HA ALA 13 2.348 -20.337 -5.889
93 HB1 ALA 13 1HB ALA 13 3.099 -19.328 -3.833
94 HB2 ALA 13 2HB ALA 13 1.575 -19.728 -3.039
95 HB3 ALA 13 3HB ALA 13 2.676 -21.014 -3.533
96 H TYR 14 H TYR 14 -0.806 -19.959 -4.367
97 HA TYR 14 HA TYR 14 -1.321 -22.821 -4.541
98 HB2 TYR 14 2HB TYR 14 -2.986 -22.503 -3.018
99 HB3 TYR 14 3HB TYR 14 -2.056 -21.052 -2.663
100 HD1 TYR 14 HD1 TYR 14 -2.739 -18.901 -3.935
101 HD2 TYR 14 HD2 TYR 14 -5.235 -22.328 -3.590
102 HE1 TYR 14 HE1 TYR 14 -4.705 -17.512 -4.441
103 HE2 TYR 14 HE2 TYR 14 -7.208 -20.950 -4.096
104 HH TYR 14 HH TYR 14 -7.038 -17.484 -4.247
105 H ARG 15 H ARG 15 -2.159 -19.836 -6.134
106 HA ARG 15 HA ARG 15 -4.443 -20.615 -7.526
107 HB2 ARG 15 2HB ARG 15 -2.710 -18.400 -7.508
108 HB3 ARG 15 3HB ARG 15 -2.752 -18.959 -9.175
109 HG2 ARG 15 2HG ARG 15 -5.267 -18.516 -7.607
110 HG3 ARG 15 3HG ARG 15 -4.456 -17.201 -8.459
111 HD2 ARG 15 2HD ARG 15 -5.737 -17.838 -10.190
112 HD3 ARG 15 3HD ARG 15 -4.526 -19.104 -10.388
113 HE ARG 15 HE ARG 15 -6.381 -20.097 -8.607
114 HH11 ARG 15 1HH1 ARG 15 -6.378 -18.948 -11.893
115 HH12 ARG 15 2HH1 ARG 15 -7.686 -19.969 -12.389
116 HH21 ARG 15 1HH2 ARG 15 -8.104 -21.447 -9.248
117 HH22 ARG 15 2HH2 ARG 15 -8.668 -21.390 -10.884
118 H PHE 16 H PHE 16 -1.170 -21.585 -7.917
119 HA PHE 16 HA PHE 16 -0.982 -22.238 -10.587
120 HB2 PHE 16 2HB PHE 16 0.080 -23.760 -8.199
121 HB3 PHE 16 3HB PHE 16 0.581 -24.047 -9.862
122 HD1 PHE 16 HD1 PHE 16 0.350 -20.933 -10.458
123 HD2 PHE 16 HD2 PHE 16 2.407 -23.307 -7.586
124 HE1 PHE 16 HE1 PHE 16 2.066 -19.182 -10.244
125 HE2 PHE 16 HE2 PHE 16 4.125 -21.560 -7.367
126 HZ PHE 16 HZ PHE 16 3.956 -19.494 -8.696
Start of MODEL 20
1 H1 GLY 1 H GLY 1 3.123 0.607 1.367
2 HA2 GLY 1 2HA GLY 1 1.591 0.435 -1.118
3 HA3 GLY 1 3HA GLY 1 3.269 0.936 -0.965
4 H ALA 2 H ALA 2 4.132 -1.293 0.612
5 HA ALA 2 HA ALA 2 4.135 -3.346 -1.491
6 HB1 ALA 2 1HB ALA 2 6.293 -2.239 -0.669
7 HB2 ALA 2 2HB ALA 2 6.084 -3.216 0.786
8 HB3 ALA 2 3HB ALA 2 6.264 -3.999 -0.784
9 H ALA 3 H ALA 3 2.026 -3.009 0.548
10 HA ALA 3 HA ALA 3 2.378 -5.221 2.380
11 HB1 ALA 3 1HB ALA 3 1.185 -3.384 3.265
12 HB2 ALA 3 2HB ALA 3 0.106 -3.319 1.871
13 HB3 ALA 3 3HB ALA 3 -0.004 -4.662 3.009
14 H LEU 4 H LEU 4 0.971 -4.649 -0.730
15 HA LEU 4 HA LEU 4 -0.589 -7.102 -0.671
16 HB2 LEU 4 2HB LEU 4 -1.154 -4.823 -1.840
17 HB3 LEU 4 3HB LEU 4 -0.161 -5.480 -3.138
18 HG LEU 4 HG LEU 4 -1.813 -7.549 -2.802
19 HD11 LEU 4 1HD1 LEU 4 -3.414 -7.032 -1.327
20 HD12 LEU 4 2HD1 LEU 4 -4.099 -6.074 -2.639
21 HD13 LEU 4 3HD1 LEU 4 -3.082 -5.302 -1.423
22 HD21 LEU 4 3HD2 LEU 4 -1.446 -6.462 -4.909
23 HD22 LEU 4 1HD2 LEU 4 -2.346 -5.039 -4.384
24 HD23 LEU 4 2HD2 LEU 4 -3.185 -6.571 -4.632
25 H GLN 5 H GLN 5 2.551 -6.112 -1.489
26 HA GLN 5 HA GLN 5 3.063 -7.987 -3.580
27 HB2 GLN 5 2HB GLN 5 4.486 -5.895 -2.235
28 HB3 GLN 5 3HB GLN 5 5.483 -7.343 -2.254
29 HG2 GLN 5 2HG GLN 5 5.973 -6.001 -4.182
30 HG3 GLN 5 3HG GLN 5 5.181 -7.492 -4.689
31 HE21 GLN 5 1HE2 GLN 5 5.016 -4.070 -4.577
32 HE22 GLN 5 2HE2 GLN 5 3.545 -3.888 -5.463
33 H ILE 6 H ILE 6 2.797 -8.233 -0.194
34 HA ILE 6 HA ILE 6 4.540 -10.500 0.124
35 HB ILE 6 HB ILE 6 2.698 -8.979 1.895
36 HG12 ILE 6 2HG1 ILE 6 5.128 -8.476 1.695
37 HG13 ILE 6 3HG1 ILE 6 4.647 -8.907 3.333
38 HG21 ILE 6 1HG2 ILE 6 1.869 -11.066 2.495
39 HG22 ILE 6 2HG2 ILE 6 3.428 -11.858 2.269
40 HG23 ILE 6 3HG2 ILE 6 3.169 -10.803 3.658
41 HD11 ILE 6 3HD1 ILE 6 5.972 -10.699 3.369
42 HD12 ILE 6 1HD1 ILE 6 5.540 -11.175 1.727
43 HD13 ILE 6 2HD1 ILE 6 6.772 -9.942 1.993
44 HA PRO 7 HA PRO 7 0.336 -12.862 0.455
45 HB2 PRO 7 2HB PRO 7 -1.909 -11.512 -0.257
46 HB3 PRO 7 3HB PRO 7 -1.278 -11.524 1.395
47 HG2 PRO 7 2HG PRO 7 -0.975 -9.440 -0.733
48 HG3 PRO 7 3HG PRO 7 -1.320 -9.234 0.994
49 HD2 PRO 7 2HD PRO 7 1.153 -8.878 -0.051
50 HD3 PRO 7 3HD PRO 7 0.890 -9.491 1.594
51 H PHE 8 H PHE 8 1.123 -10.684 -2.097
52 HA PHE 8 HA PHE 8 -0.424 -11.864 -4.162
53 HB2 PHE 8 2HB PHE 8 0.417 -9.640 -4.485
54 HB3 PHE 8 3HB PHE 8 2.076 -10.169 -4.226
55 HD1 PHE 8 HD2 PHE 8 -0.633 -11.585 -6.353
56 HD2 PHE 8 HD1 PHE 8 3.221 -9.787 -6.189
57 HE1 PHE 8 HE2 PHE 8 -0.371 -11.934 -8.774
58 HE2 PHE 8 HE1 PHE 8 3.489 -10.132 -8.610
59 HZ PHE 8 HZ PHE 8 1.692 -11.208 -9.906
60 H ALA 9 H ALA 9 2.727 -12.538 -2.799
61 HA ALA 9 HA ALA 9 3.552 -14.328 -4.876
62 HB1 ALA 9 1HB ALA 9 5.010 -14.961 -2.590
63 HB2 ALA 9 2HB ALA 9 5.489 -13.867 -3.889
64 HB3 ALA 9 3HB ALA 9 4.679 -13.234 -2.456
65 H MET 10 H MET 10 1.758 -14.616 -1.902
66 HA MET 10 HA MET 10 1.914 -17.514 -1.895
67 HB2 MET 10 2HB MET 10 1.160 -15.447 -0.011
68 HB3 MET 10 3HB MET 10 -0.054 -16.718 -0.074
69 HG2 MET 10 2HG MET 10 1.247 -17.714 1.443
70 HG3 MET 10 3HG MET 10 2.206 -18.191 0.044
71 HE1 MET 10 3HE MET 10 4.070 -17.173 -0.830
72 HE2 MET 10 1HE MET 10 4.187 -15.424 -0.637
73 HE3 MET 10 2HE MET 10 5.356 -16.478 0.157
74 H GLN 11 H GLN 11 -0.332 -14.983 -2.791
75 HA GLN 11 HA GLN 11 -2.653 -16.547 -3.045
76 HB2 GLN 11 2HB GLN 11 -2.806 -14.143 -3.025
77 HB3 GLN 11 3HB GLN 11 -1.805 -14.021 -4.466
78 HG2 GLN 11 2HG GLN 11 -4.268 -15.620 -4.723
79 HG3 GLN 11 3HG GLN 11 -4.478 -13.885 -4.496
80 HE21 GLN 11 1HE2 GLN 11 -4.706 -15.919 -6.807
81 HE22 GLN 11 2HE2 GLN 11 -3.922 -15.108 -8.116
82 H MET 12 H MET 12 0.143 -16.198 -5.063
83 HA MET 12 HA MET 12 -1.156 -17.492 -7.328
84 HB2 MET 12 2HB MET 12 0.847 -15.608 -7.151
85 HB3 MET 12 3HB MET 12 1.736 -17.084 -7.500
86 HG2 MET 12 2HG MET 12 0.716 -17.370 -9.554
87 HG3 MET 12 3HG MET 12 -0.659 -16.356 -9.125
88 HE1 MET 12 3HE MET 12 1.394 -16.505 -11.711
89 HE2 MET 12 1HE MET 12 2.481 -15.122 -11.841
90 HE3 MET 12 2HE MET 12 2.885 -16.463 -10.768
91 H ALA 13 H ALA 13 0.903 -18.241 -4.660
92 HA ALA 13 HA ALA 13 2.181 -20.544 -5.624
93 HB1 ALA 13 1HB ALA 13 2.730 -19.320 -3.513
94 HB2 ALA 13 2HB ALA 13 1.316 -20.075 -2.778
95 HB3 ALA 13 3HB ALA 13 2.652 -21.074 -3.348
96 H TYR 14 H TYR 14 -1.001 -20.067 -4.188
97 HA TYR 14 HA TYR 14 -1.560 -22.925 -4.286
98 HB2 TYR 14 2HB TYR 14 -3.254 -22.532 -2.813
99 HB3 TYR 14 3HB TYR 14 -2.307 -21.086 -2.481
100 HD1 TYR 14 HD1 TYR 14 -2.923 -18.965 -3.834
101 HD2 TYR 14 HD2 TYR 14 -5.486 -22.338 -3.441
102 HE1 TYR 14 HE1 TYR 14 -4.853 -17.560 -4.428
103 HE2 TYR 14 HE2 TYR 14 -7.423 -20.943 -4.035
104 HH TYR 14 HH TYR 14 -7.610 -17.875 -3.832
105 H ARG 15 H ARG 15 -2.310 -19.978 -5.989
106 HA ARG 15 HA ARG 15 -4.575 -20.762 -7.409
107 HB2 ARG 15 2HB ARG 15 -2.806 -18.576 -7.419
108 HB3 ARG 15 3HB ARG 15 -2.818 -19.186 -9.068
109 HG2 ARG 15 2HG ARG 15 -5.269 -18.450 -7.482
110 HG3 ARG 15 3HG ARG 15 -4.486 -17.423 -8.685
111 HD2 ARG 15 2HD ARG 15 -4.831 -19.789 -10.034
112 HD3 ARG 15 3HD ARG 15 -6.282 -19.696 -9.037
113 HE ARG 15 HE ARG 15 -5.677 -17.264 -10.449
114 HH11 ARG 15 1HH1 ARG 15 -7.274 -20.353 -10.604
115 HH12 ARG 15 2HH1 ARG 15 -8.392 -19.860 -11.833
116 HH21 ARG 15 1HH2 ARG 15 -7.143 -16.603 -12.066
117 HH22 ARG 15 2HH2 ARG 15 -8.316 -17.727 -12.664
118 H PHE 16 H PHE 16 -1.312 -21.798 -7.694
119 HA PHE 16 HA PHE 16 -1.073 -22.537 -10.337
120 HB2 PHE 16 2HB PHE 16 -0.093 -24.001 -7.879
121 HB3 PHE 16 3HB PHE 16 0.440 -24.349 -9.520
122 HD1 PHE 16 HD1 PHE 16 0.279 -21.251 -10.218
123 HD2 PHE 16 HD2 PHE 16 2.226 -23.568 -7.225
124 HE1 PHE 16 HE1 PHE 16 2.020 -19.524 -10.018
125 HE2 PHE 16 HE2 PHE 16 3.969 -21.844 -7.019
126 HZ PHE 16 HZ PHE 16 3.867 -19.819 -8.416
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