Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
7762 | 1kzs RC | 5283 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 33 1H ACE 33 20.709 -0.745 5.515
2 2H ACE 33 2H ACE 33 19.319 0.233 5.987
3 3H ACE 33 3H ACE 33 19.753 0.081 4.285
4 H PHE 34 H PHE 34 20.276 -2.761 4.353
5 HA PHE 34 HA PHE 34 19.069 -4.769 4.021
6 1HB PHE 34 2HB PHE 34 17.746 -3.508 6.434
7 2HB PHE 34 1HB PHE 34 17.376 -5.144 5.889
8 HD1 PHE 34 1HD PHE 34 19.710 -3.045 7.685
9 HD2 PHE 34 2HD PHE 34 19.264 -6.838 5.718
10 HE1 PHE 34 1HE PHE 34 21.726 -3.890 8.857
11 HE2 PHE 34 2HE PHE 34 21.279 -7.683 6.891
12 HZ PHE 34 HZ PHE 34 22.510 -6.210 8.460
13 HA PRO 35 HA PRO 35 15.718 -2.174 1.985
14 1HB PRO 35 2HB PRO 35 16.332 -2.874 -0.585
15 2HB PRO 35 1HB PRO 35 17.036 -1.463 0.227
16 1HG PRO 35 2HG PRO 35 18.192 -4.174 -0.219
17 2HG PRO 35 1HG PRO 35 18.970 -2.588 -0.323
18 1HD PRO 35 2HD PRO 35 19.235 -4.253 1.816
19 2HD PRO 35 1HD PRO 35 19.342 -2.485 1.938
20 H ARG 36 H ARG 36 16.828 -5.426 2.088
21 HA ARG 36 HA ARG 36 14.901 -6.770 0.479
22 1HB ARG 36 2HB ARG 36 16.958 -7.734 1.504
23 2HB ARG 36 1HB ARG 36 16.193 -7.622 3.090
24 1HG ARG 36 2HG ARG 36 14.371 -9.104 2.308
25 2HG ARG 36 1HG ARG 36 15.156 -9.229 0.733
26 1HD ARG 36 2HD ARG 36 16.445 -10.061 3.358
27 2HD ARG 36 1HD ARG 36 15.703 -11.179 2.198
28 HE ARG 36 HE ARG 36 17.385 -10.399 0.529
29 1HH1 ARG 36 1HH2 ARG 36 18.363 -11.062 3.591
30 2HH1 ARG 36 2HH2 ARG 36 19.821 -10.130 3.556
31 1HH2 ARG 36 1HH1 ARG 36 19.046 -8.540 0.573
32 2HH2 ARG 36 2HH1 ARG 36 20.208 -8.701 1.847
33 H ILE 37 H ILE 37 14.739 -5.624 3.838
34 HA ILE 37 HA ILE 37 12.218 -6.856 4.487
35 HB ILE 37 HB ILE 37 12.365 -5.486 6.438
36 1HG1 ILE 37 1HG1 ILE 37 14.221 -3.665 4.878
37 2HG1 ILE 37 2HG1 ILE 37 12.521 -3.327 5.194
38 1HG2 ILE 37 1HG2 ILE 37 14.640 -6.826 5.417
39 2HG2 ILE 37 2HG2 ILE 37 14.280 -6.466 7.105
40 3HG2 ILE 37 3HG2 ILE 37 15.231 -5.333 6.145
41 1HD1 ILE 37 1HD1 ILE 37 14.291 -2.311 6.805
42 2HD1 ILE 37 2HD1 ILE 37 14.417 -3.944 7.456
43 3HD1 ILE 37 3HD1 ILE 37 12.875 -3.089 7.513
44 H TRP 38 H TRP 38 12.976 -4.368 2.321
45 HA TRP 38 HA TRP 38 10.870 -2.497 2.618
46 1HB TRP 38 2HB TRP 38 12.847 -2.331 1.119
47 2HB TRP 38 1HB TRP 38 12.163 -3.596 0.099
48 HD1 TRP 38 HD TRP 38 11.821 0.070 0.972
49 HE1 TRP 38 1HE TRP 38 10.144 1.176 -0.643
50 HE3 TRP 38 3HE TRP 38 9.997 -4.079 -1.381
51 HZ2 TRP 38 2HZ TRP 38 8.275 0.403 -2.667
52 HZ3 TRP 38 3HZ TRP 38 8.271 -3.865 -3.147
53 HH2 TRP 38 HH TRP 38 7.409 -1.633 -3.792
54 H LEU 39 H LEU 39 10.863 -5.759 1.274
55 HA LEU 39 HA LEU 39 8.433 -5.670 -0.202
56 1HB LEU 39 2HB LEU 39 10.126 -7.488 -0.209
57 2HB LEU 39 1HB LEU 39 9.648 -7.919 1.434
58 HG LEU 39 HG LEU 39 7.270 -8.179 0.506
59 1HD1 LEU 39 1HD1 LEU 39 8.884 -7.888 -2.029
60 2HD1 LEU 39 2HD1 LEU 39 7.383 -7.075 -1.586
61 3HD1 LEU 39 3HD1 LEU 39 7.369 -8.788 -2.005
62 1HD2 LEU 39 1HD2 LEU 39 9.543 -9.989 -0.345
63 2HD2 LEU 39 2HD2 LEU 39 7.846 -10.435 -0.521
64 3HD2 LEU 39 3HD2 LEU 39 8.520 -10.147 1.084
65 H HIS 40 H HIS 40 9.033 -6.065 3.261
66 HA HIS 40 HA HIS 40 6.444 -6.924 4.080
67 1HB HIS 40 2HB HIS 40 8.538 -5.183 5.422
68 2HB HIS 40 1HB HIS 40 7.186 -5.939 6.265
69 HD1 HIS 40 1HD HIS 40 10.357 -6.794 4.403
70 HD2 HIS 40 2HD HIS 40 7.490 -8.700 6.751
71 HE1 HIS 40 1HE HIS 40 11.258 -9.111 4.892
72 H ASN 41 H ASN 41 7.720 -3.701 3.348
73 HA ASN 41 HA ASN 41 5.674 -2.073 4.416
74 1HB ASN 41 2HB ASN 41 7.325 -1.864 1.878
75 2HB ASN 41 1HB ASN 41 6.409 -0.526 2.572
76 1HD2 ASN 41 1HD2 ASN 41 6.932 -1.054 5.356
77 2HD2 ASN 41 2HD2 ASN 41 8.586 -0.797 5.641
78 H LEU 42 H LEU 42 5.834 -3.742 1.272
79 HA LEU 42 HA LEU 42 3.524 -2.768 0.022
80 1HB LEU 42 2HB LEU 42 4.621 -5.597 0.122
81 2HB LEU 42 1HB LEU 42 3.556 -4.964 -1.133
82 HG LEU 42 HG LEU 42 6.370 -4.040 -0.486
83 1HD1 LEU 42 1HD1 LEU 42 7.014 -5.256 -2.284
84 2HD1 LEU 42 2HD1 LEU 42 5.633 -4.721 -3.241
85 3HD1 LEU 42 3HD1 LEU 42 5.462 -6.077 -2.125
86 1HD2 LEU 42 1HD2 LEU 42 5.825 -2.609 -2.633
87 2HD2 LEU 42 2HD2 LEU 42 5.346 -2.021 -1.041
88 3HD2 LEU 42 3HD2 LEU 42 4.158 -2.797 -2.089
89 H GLY 43 H GLY 43 3.794 -5.246 2.555
90 1HA GLY 43 1HA GLY 43 1.141 -6.229 2.490
91 2HA GLY 43 2HA GLY 43 2.154 -6.204 3.932
92 H GLN 44 H GLN 44 2.379 -3.178 3.647
93 HA GLN 44 HA GLN 44 0.156 -2.509 5.374
94 1HB GLN 44 2HB GLN 44 2.422 -1.481 5.423
95 2HB GLN 44 1HB GLN 44 2.108 -0.757 3.845
96 1HG GLN 44 2HG GLN 44 0.075 0.353 4.870
97 2HG GLN 44 1HG GLN 44 0.643 -0.212 6.440
98 1HE2 GLN 44 1HE2 GLN 44 1.915 1.302 7.516
99 2HE2 GLN 44 2HE2 GLN 44 2.864 2.492 6.765
100 H HIS 45 H HIS 45 0.676 -2.349 1.909
101 HA HIS 45 HA HIS 45 -1.445 -0.433 1.361
102 1HB HIS 45 2HB HIS 45 0.109 -2.456 -0.277
103 2HB HIS 45 1HB HIS 45 -1.061 -1.343 -0.988
104 HD1 HIS 45 1HD HIS 45 2.328 -1.460 0.612
105 HD2 HIS 45 2HD HIS 45 -0.239 1.393 -1.014
106 HE1 HIS 45 1HE HIS 45 3.683 0.665 0.366
107 H ILE 46 H ILE 46 -1.182 -3.997 1.118
108 HA ILE 46 HA ILE 46 -3.904 -4.403 0.253
109 HB ILE 46 HB ILE 46 -3.362 -6.721 0.611
110 1HG1 ILE 46 2HG1 ILE 46 -1.011 -5.834 2.304
111 2HG1 ILE 46 1HG1 ILE 46 -2.563 -6.315 2.991
112 1HG2 ILE 46 1HG2 ILE 46 -0.580 -5.884 0.142
113 2HG2 ILE 46 2HG2 ILE 46 -1.756 -5.019 -0.847
114 3HG2 ILE 46 3HG2 ILE 46 -1.677 -6.780 -0.909
115 1HD1 ILE 46 1HD1 ILE 46 -1.917 -8.331 1.139
116 2HD1 ILE 46 2HD1 ILE 46 -1.855 -8.451 2.897
117 3HD1 ILE 46 3HD1 ILE 46 -0.413 -7.985 1.995
118 H TYR 47 H TYR 47 -2.391 -3.969 3.388
119 HA TYR 47 HA TYR 47 -4.464 -5.089 5.029
120 1HB TYR 47 2HB TYR 47 -2.149 -4.548 5.740
121 2HB TYR 47 1HB TYR 47 -2.501 -2.831 5.543
122 HD1 TYR 47 1HD TYR 47 -3.950 -1.651 7.107
123 HD2 TYR 47 2HD TYR 47 -3.185 -5.856 7.542
124 HE1 TYR 47 1HE TYR 47 -4.912 -1.590 9.392
125 HE2 TYR 47 2HE TYR 47 -4.146 -5.794 9.828
126 HH TYR 47 HH TYR 47 -5.978 -4.097 11.004
127 H GLU 48 H GLU 48 -4.009 -1.900 3.567
128 HA GLU 48 HA GLU 48 -6.144 -0.570 4.988
129 1HB GLU 48 2HB GLU 48 -4.794 -0.077 2.312
130 2HB GLU 48 1HB GLU 48 -5.845 1.083 3.123
131 1HG GLU 48 2HG GLU 48 -4.325 1.105 5.067
132 2HG GLU 48 1HG GLU 48 -3.276 -0.062 4.263
133 H THR 49 H THR 49 -5.959 -2.520 2.052
134 HA THR 49 HA THR 49 -8.474 -1.910 0.881
135 HB THR 49 HB THR 49 -7.000 -4.562 1.033
136 HG1 THR 49 1HG THR 49 -6.717 -2.830 -1.112
137 1HG2 THR 49 1HG2 THR 49 -9.436 -4.228 0.006
138 2HG2 THR 49 2HG2 THR 49 -8.241 -5.254 -0.787
139 3HG2 THR 49 3HG2 THR 49 -8.510 -3.609 -1.362
140 H TYR 50 H TYR 50 -7.598 -4.113 3.520
141 HA TYR 50 HA TYR 50 -10.179 -5.380 3.783
142 1HB TYR 50 1HB TYR 50 -7.843 -4.924 5.665
143 2HB TYR 50 2HB TYR 50 -9.204 -5.981 6.038
144 HD1 TYR 50 1HD TYR 50 -9.692 -7.946 4.514
145 HD2 TYR 50 2HD TYR 50 -6.078 -5.642 4.245
146 HE1 TYR 50 1HE TYR 50 -8.615 -9.784 3.242
147 HE2 TYR 50 2HE TYR 50 -5.001 -7.477 2.974
148 HH TYR 50 HH TYR 50 -6.814 -10.216 1.806
149 H GLY 51 H GLY 51 -8.646 -2.580 5.378
150 1HA GLY 51 1HA GLY 51 -11.068 -2.057 6.966
151 2HA GLY 51 2HA GLY 51 -9.584 -1.104 6.997
152 1HN NH2 52 1H GLY 51 -12.536 -1.703 5.061
153 2HN NH2 52 2H GLY 51 -12.501 -0.213 4.250
Start of MODEL 2
1 1H ACE 33 1H ACE 33 21.019 -0.200 7.108
2 2H ACE 33 2H ACE 33 19.600 -0.222 8.156
3 3H ACE 33 3H ACE 33 19.461 0.354 6.495
4 H PHE 34 H PHE 34 17.677 -1.487 6.882
5 HA PHE 34 HA PHE 34 18.861 -4.028 5.813
6 1HB PHE 34 2HB PHE 34 16.714 -3.559 7.900
7 2HB PHE 34 1HB PHE 34 17.006 -5.132 7.160
8 HD1 PHE 34 1HD PHE 34 18.799 -2.359 8.935
9 HD2 PHE 34 2HD PHE 34 18.619 -6.564 8.076
10 HE1 PHE 34 1HE PHE 34 20.659 -2.764 10.525
11 HE2 PHE 34 2HE PHE 34 20.477 -6.969 9.666
12 HZ PHE 34 HZ PHE 34 21.498 -5.069 10.891
13 HA PRO 35 HA PRO 35 15.671 -1.977 2.999
14 1HB PRO 35 2HB PRO 35 16.771 -3.087 0.754
15 2HB PRO 35 1HB PRO 35 17.290 -1.527 1.417
16 1HG PRO 35 2HG PRO 35 18.542 -4.218 1.683
17 2HG PRO 35 1HG PRO 35 19.306 -2.639 1.449
18 1HD PRO 35 2HD PRO 35 19.175 -3.901 3.860
19 2HD PRO 35 1HD PRO 35 19.236 -2.135 3.683
20 H ARG 36 H ARG 36 16.925 -5.191 3.590
21 HA ARG 36 HA ARG 36 15.234 -6.800 2.013
22 1HB ARG 36 2HB ARG 36 16.289 -7.164 4.834
23 2HB ARG 36 1HB ARG 36 15.642 -8.467 3.837
24 1HG ARG 36 2HG ARG 36 17.366 -7.924 2.102
25 2HG ARG 36 1HG ARG 36 18.055 -6.740 3.213
26 1HD ARG 36 2HD ARG 36 17.778 -9.721 3.754
27 2HD ARG 36 1HD ARG 36 19.289 -8.860 3.407
28 HE ARG 36 HE ARG 36 17.639 -8.536 5.871
29 1HH1 ARG 36 1HH2 ARG 36 19.053 -6.033 4.740
30 2HH1 ARG 36 2HH2 ARG 36 20.506 -6.043 5.682
31 1HH2 ARG 36 1HH1 ARG 36 20.098 -9.312 6.762
32 2HH2 ARG 36 2HH1 ARG 36 21.100 -7.900 6.825
33 H ILE 37 H ILE 37 14.522 -5.074 5.018
34 HA ILE 37 HA ILE 37 11.957 -6.406 5.443
35 HB ILE 37 HB ILE 37 11.819 -4.942 7.320
36 1HG1 ILE 37 1HG1 ILE 37 13.924 -3.183 6.032
37 2HG1 ILE 37 2HG1 ILE 37 12.195 -2.855 5.940
38 1HG2 ILE 37 1HG2 ILE 37 13.885 -5.312 8.398
39 2HG2 ILE 37 2HG2 ILE 37 14.801 -5.106 6.906
40 3HG2 ILE 37 3HG2 ILE 37 13.838 -6.562 7.154
41 1HD1 ILE 37 1HD1 ILE 37 12.727 -1.619 7.822
42 2HD1 ILE 37 2HD1 ILE 37 14.033 -2.706 8.294
43 3HD1 ILE 37 3HD1 ILE 37 12.355 -3.168 8.578
44 H TRP 38 H TRP 38 12.961 -4.172 3.167
45 HA TRP 38 HA TRP 38 10.839 -2.253 3.121
46 1HB TRP 38 2HB TRP 38 13.029 -2.167 1.913
47 2HB TRP 38 1HB TRP 38 12.451 -3.442 0.842
48 HD1 TRP 38 HD TRP 38 12.269 0.250 1.440
49 HE1 TRP 38 1HE TRP 38 10.772 1.352 -0.346
50 HE3 TRP 38 3HE TRP 38 10.228 -3.918 -0.691
51 HZ2 TRP 38 2HZ TRP 38 8.952 0.567 -2.409
52 HZ3 TRP 38 3HZ TRP 38 8.617 -3.712 -2.564
53 HH2 TRP 38 HH TRP 38 7.977 -1.477 -3.424
54 H LEU 39 H LEU 39 11.092 -5.540 1.824
55 HA LEU 39 HA LEU 39 8.852 -5.530 0.076
56 1HB LEU 39 2HB LEU 39 10.607 -7.282 0.284
57 2HB LEU 39 1HB LEU 39 9.933 -7.746 1.845
58 HG LEU 39 HG LEU 39 7.713 -8.098 0.620
59 1HD1 LEU 39 1HD1 LEU 39 7.965 -6.991 -1.433
60 2HD1 LEU 39 2HD1 LEU 39 8.217 -8.678 -1.881
61 3HD1 LEU 39 3HD1 LEU 39 9.601 -7.604 -1.672
62 1HD2 LEU 39 1HD2 LEU 39 8.482 -10.192 1.015
63 2HD2 LEU 39 2HD2 LEU 39 10.141 -9.738 0.625
64 3HD2 LEU 39 3HD2 LEU 39 9.021 -10.180 -0.664
65 H HIS 40 H HIS 40 9.037 -5.850 3.586
66 HA HIS 40 HA HIS 40 6.405 -6.845 4.079
67 1HB HIS 40 2HB HIS 40 8.270 -5.054 5.666
68 2HB HIS 40 1HB HIS 40 6.839 -5.834 6.342
69 HD1 HIS 40 1HD HIS 40 10.212 -6.648 4.842
70 HD2 HIS 40 2HD HIS 40 7.142 -8.575 6.899
71 HE1 HIS 40 1HE HIS 40 11.091 -8.944 5.453
72 H ASN 41 H ASN 41 7.587 -3.610 3.343
73 HA ASN 41 HA ASN 41 5.452 -2.010 4.268
74 1HB ASN 41 2HB ASN 41 7.203 -1.859 1.797
75 2HB ASN 41 1HB ASN 41 6.198 -0.527 2.365
76 1HD2 ASN 41 1HD2 ASN 41 6.571 -0.740 5.164
77 2HD2 ASN 41 2HD2 ASN 41 8.203 -0.452 5.533
78 H LEU 42 H LEU 42 5.763 -3.808 1.204
79 HA LEU 42 HA LEU 42 3.457 -2.942 -0.143
80 1HB LEU 42 1HB LEU 42 4.644 -5.729 0.055
81 2HB LEU 42 2HB LEU 42 3.611 -5.148 -1.251
82 HG LEU 42 HG LEU 42 6.374 -4.140 -0.517
83 1HD1 LEU 42 1HD1 LEU 42 5.669 -6.247 -2.094
84 2HD1 LEU 42 2HD1 LEU 42 7.114 -5.270 -2.357
85 3HD1 LEU 42 3HD1 LEU 42 5.645 -4.937 -3.273
86 1HD2 LEU 42 1HD2 LEU 42 5.226 -2.170 -1.108
87 2HD2 LEU 42 2HD2 LEU 42 4.223 -3.003 -2.296
88 3HD2 LEU 42 3HD2 LEU 42 5.927 -2.702 -2.636
89 H GLY 43 H GLY 43 3.750 -5.317 2.479
90 1HA GLY 43 1HA GLY 43 1.105 -6.368 2.350
91 2HA GLY 43 2HA GLY 43 2.111 -6.354 3.798
92 H GLN 44 H GLN 44 2.286 -3.299 3.462
93 HA GLN 44 HA GLN 44 0.033 -2.682 5.199
94 1HB GLN 44 2HB GLN 44 2.283 -1.659 5.369
95 2HB GLN 44 1HB GLN 44 2.059 -0.922 3.782
96 1HG GLN 44 2HG GLN 44 0.045 0.264 4.661
97 2HG GLN 44 1HG GLN 44 0.381 -0.408 6.257
98 1HE2 GLN 44 1HE2 GLN 44 0.395 2.330 6.151
99 2HE2 GLN 44 2HE2 GLN 44 1.980 2.938 6.191
100 H HIS 45 H HIS 45 0.680 -2.418 1.762
101 HA HIS 45 HA HIS 45 -1.372 -0.469 1.153
102 1HB HIS 45 2HB HIS 45 0.077 -2.605 -0.441
103 2HB HIS 45 1HB HIS 45 -0.990 -1.405 -1.171
104 HD1 HIS 45 1HD HIS 45 2.291 -1.716 0.672
105 HD2 HIS 45 2HD HIS 45 0.106 1.191 -1.367
106 HE1 HIS 45 1HE HIS 45 3.831 0.276 0.397
107 H ILE 46 H ILE 46 -1.270 -4.045 1.014
108 HA ILE 46 HA ILE 46 -4.039 -4.293 0.159
109 HB ILE 46 HB ILE 46 -3.580 -6.641 0.374
110 1HG1 ILE 46 2HG1 ILE 46 -1.160 -5.922 2.052
111 2HG1 ILE 46 1HG1 ILE 46 -2.704 -6.423 2.739
112 1HG2 ILE 46 1HG2 ILE 46 -1.803 -6.785 -1.088
113 2HG2 ILE 46 2HG2 ILE 46 -0.796 -5.695 -0.136
114 3HG2 ILE 46 3HG2 ILE 46 -2.072 -5.044 -1.163
115 1HD1 ILE 46 1HD1 ILE 46 -0.603 -8.071 1.678
116 2HD1 ILE 46 2HD1 ILE 46 -2.053 -8.294 0.698
117 3HD1 ILE 46 3HD1 ILE 46 -2.113 -8.573 2.439
118 H TYR 47 H TYR 47 -2.386 -4.050 3.235
119 HA TYR 47 HA TYR 47 -4.382 -5.190 4.941
120 1HB TYR 47 2HB TYR 47 -1.999 -4.626 5.489
121 2HB TYR 47 1HB TYR 47 -2.442 -2.918 5.465
122 HD1 TYR 47 1HD TYR 47 -2.923 -6.145 7.208
123 HD2 TYR 47 2HD TYR 47 -3.747 -1.930 7.251
124 HE1 TYR 47 1HE TYR 47 -3.720 -6.324 9.549
125 HE2 TYR 47 2HE TYR 47 -4.541 -2.109 9.594
126 HH TYR 47 HH TYR 47 -3.874 -4.189 11.606
127 H GLU 48 H GLU 48 -3.839 -1.847 3.848
128 HA GLU 48 HA GLU 48 -5.954 -0.601 5.294
129 1HB GLU 48 2HB GLU 48 -3.939 0.254 3.793
130 2HB GLU 48 1HB GLU 48 -5.168 0.253 2.528
131 1HG GLU 48 2HG GLU 48 -6.634 1.599 4.107
132 2HG GLU 48 1HG GLU 48 -5.223 1.768 5.149
133 H THR 49 H THR 49 -5.912 -2.335 2.206
134 HA THR 49 HA THR 49 -8.452 -1.603 1.188
135 HB THR 49 HB THR 49 -7.073 -4.308 1.093
136 HG1 THR 49 1HG THR 49 -6.323 -3.187 -0.963
137 1HG2 THR 49 1HG2 THR 49 -9.389 -4.207 0.175
138 2HG2 THR 49 2HG2 THR 49 -8.181 -4.527 -1.069
139 3HG2 THR 49 3HG2 THR 49 -8.874 -2.913 -0.907
140 H TYR 50 H TYR 50 -7.544 -3.976 3.661
141 HA TYR 50 HA TYR 50 -10.154 -5.202 3.907
142 1HB TYR 50 1HB TYR 50 -7.773 -4.945 5.771
143 2HB TYR 50 2HB TYR 50 -9.144 -6.012 6.067
144 HD1 TYR 50 1HD TYR 50 -9.650 -7.868 4.444
145 HD2 TYR 50 2HD TYR 50 -6.061 -5.523 4.216
146 HE1 TYR 50 1HE TYR 50 -8.609 -9.601 3.005
147 HE2 TYR 50 2HE TYR 50 -5.019 -7.253 2.778
148 HH TYR 50 HH TYR 50 -5.641 -9.055 1.331
149 H GLY 51 H GLY 51 -8.478 -2.599 5.692
150 1HA GLY 51 2HA GLY 51 -10.944 -2.077 7.253
151 2HA GLY 51 1HA GLY 51 -9.373 -1.324 7.527
152 1HN NH2 52 1H GLY 51 -8.728 0.433 6.016
153 2HN NH2 52 2H GLY 51 -9.911 1.286 5.150
Start of MODEL 3
1 1H ACE 33 1H ACE 33 16.785 -2.773 8.145
2 2H ACE 33 2H ACE 33 18.446 -2.332 8.541
3 3H ACE 33 3H ACE 33 17.849 -3.948 8.916
4 H PHE 34 H PHE 34 16.673 -4.801 6.645
5 HA PHE 34 HA PHE 34 18.799 -4.534 4.542
6 1HB PHE 34 2HB PHE 34 17.166 -7.004 5.179
7 2HB PHE 34 1HB PHE 34 18.648 -6.906 4.228
8 HD1 PHE 34 1HD PHE 34 17.251 -7.371 7.507
9 HD2 PHE 34 2HD PHE 34 20.794 -6.135 5.417
10 HE1 PHE 34 1HE PHE 34 18.592 -7.742 9.560
11 HE2 PHE 34 2HE PHE 34 22.135 -6.506 7.470
12 HZ PHE 34 HZ PHE 34 21.033 -7.309 9.542
13 HA PRO 35 HA PRO 35 15.707 -3.430 1.650
14 1HB PRO 35 2HB PRO 35 16.204 -5.093 -0.464
15 2HB PRO 35 1HB PRO 35 17.200 -3.671 -0.099
16 1HG PRO 35 2HG PRO 35 17.691 -6.547 0.520
17 2HG PRO 35 1HG PRO 35 18.822 -5.308 -0.045
18 1HD PRO 35 2HD PRO 35 18.668 -6.107 2.547
19 2HD PRO 35 1HD PRO 35 19.150 -4.467 2.068
20 H ARG 36 H ARG 36 16.100 -6.708 2.752
21 HA ARG 36 HA ARG 36 13.901 -8.027 1.569
22 1HB ARG 36 2HB ARG 36 15.092 -8.197 4.354
23 2HB ARG 36 1HB ARG 36 14.018 -9.410 3.659
24 1HG ARG 36 2HG ARG 36 15.636 -9.703 1.778
25 2HG ARG 36 1HG ARG 36 16.729 -8.578 2.584
26 1HD ARG 36 2HD ARG 36 16.679 -10.108 4.604
27 2HD ARG 36 1HD ARG 36 15.789 -11.278 3.611
28 HE ARG 36 HE ARG 36 17.990 -10.518 2.055
29 1HH1 ARG 36 1HH2 ARG 36 17.483 -13.316 3.128
30 2HH1 ARG 36 2HH2 ARG 36 18.930 -13.598 4.037
31 1HH2 ARG 36 1HH1 ARG 36 19.853 -10.257 4.110
32 2HH2 ARG 36 2HH1 ARG 36 20.273 -11.866 4.593
33 H ILE 37 H ILE 37 13.994 -5.740 4.267
34 HA ILE 37 HA ILE 37 11.297 -6.153 5.185
35 HB ILE 37 HB ILE 37 11.730 -4.187 6.475
36 1HG1 ILE 37 1HG1 ILE 37 13.905 -3.483 4.483
37 2HG1 ILE 37 2HG1 ILE 37 12.300 -2.755 4.500
38 1HG2 ILE 37 1HG2 ILE 37 14.568 -4.993 6.043
39 2HG2 ILE 37 2HG2 ILE 37 13.435 -6.260 6.510
40 3HG2 ILE 37 3HG2 ILE 37 13.657 -4.850 7.546
41 1HD1 ILE 37 1HD1 ILE 37 14.324 -2.669 6.759
42 2HD1 ILE 37 2HD1 ILE 37 12.696 -1.995 6.834
43 3HD1 ILE 37 3HD1 ILE 37 13.879 -1.321 5.712
44 H TRP 38 H TRP 38 12.613 -4.514 2.421
45 HA TRP 38 HA TRP 38 10.701 -2.501 1.909
46 1HB TRP 38 1HB TRP 38 12.844 -3.099 0.673
47 2HB TRP 38 2HB TRP 38 11.935 -4.387 -0.118
48 HD1 TRP 38 HD TRP 38 12.362 -0.624 -0.036
49 HE1 TRP 38 1HE TRP 38 11.036 0.423 -1.983
50 HE3 TRP 38 3HE TRP 38 9.791 -4.727 -1.662
51 HZ2 TRP 38 2HZ TRP 38 9.137 -0.374 -3.969
52 HZ3 TRP 38 3HZ TRP 38 8.232 -4.555 -3.581
53 HH2 TRP 38 HH TRP 38 7.902 -2.386 -4.735
54 H LEU 39 H LEU 39 10.573 -5.987 1.131
55 HA LEU 39 HA LEU 39 8.075 -5.953 -0.262
56 1HB LEU 39 2HB LEU 39 9.358 -8.100 1.462
57 2HB LEU 39 1HB LEU 39 8.136 -8.374 0.221
58 HG LEU 39 HG LEU 39 10.898 -7.204 -0.247
59 1HD1 LEU 39 1HD1 LEU 39 10.970 -9.609 0.225
60 2HD1 LEU 39 2HD1 LEU 39 11.267 -9.328 -1.491
61 3HD1 LEU 39 3HD1 LEU 39 9.687 -9.896 -0.951
62 1HD2 LEU 39 1HD2 LEU 39 10.105 -6.485 -2.227
63 2HD2 LEU 39 2HD2 LEU 39 8.488 -7.003 -1.754
64 3HD2 LEU 39 3HD2 LEU 39 9.555 -8.115 -2.612
65 H HIS 40 H HIS 40 8.888 -6.103 3.170
66 HA HIS 40 HA HIS 40 6.329 -6.828 4.210
67 1HB HIS 40 2HB HIS 40 8.457 -6.807 5.465
68 2HB HIS 40 1HB HIS 40 8.530 -5.051 5.320
69 HD1 HIS 40 1HD HIS 40 7.353 -3.728 7.094
70 HD2 HIS 40 2HD HIS 40 6.082 -7.698 7.022
71 HE1 HIS 40 1HE HIS 40 5.804 -4.020 9.077
72 H ASN 41 H ASN 41 7.746 -3.661 3.404
73 HA ASN 41 HA ASN 41 5.750 -1.932 4.384
74 1HB ASN 41 2HB ASN 41 8.035 -1.566 3.167
75 2HB ASN 41 1HB ASN 41 7.068 -1.585 1.695
76 1HD2 ASN 41 1HD2 ASN 41 8.155 0.817 1.967
77 2HD2 ASN 41 2HD2 ASN 41 7.103 1.959 2.653
78 H LEU 42 H LEU 42 5.889 -3.658 1.268
79 HA LEU 42 HA LEU 42 3.566 -2.601 0.052
80 1HB LEU 42 2HB LEU 42 4.691 -5.421 -0.026
81 2HB LEU 42 1HB LEU 42 3.634 -4.706 -1.241
82 HG LEU 42 HG LEU 42 6.431 -3.793 -0.512
83 1HD1 LEU 42 1HD1 LEU 42 5.381 -5.656 -2.424
84 2HD1 LEU 42 2HD1 LEU 42 7.058 -5.171 -2.175
85 3HD1 LEU 42 3HD1 LEU 42 6.035 -4.266 -3.291
86 1HD2 LEU 42 1HD2 LEU 42 5.996 -2.221 -2.505
87 2HD2 LEU 42 2HD2 LEU 42 5.226 -1.799 -0.976
88 3HD2 LEU 42 3HD2 LEU 42 4.286 -2.571 -2.254
89 H GLY 43 H GLY 43 3.903 -5.090 2.541
90 1HA GLY 43 1HA GLY 43 1.276 -6.176 2.418
91 2HA GLY 43 2HA GLY 43 2.292 -6.170 3.859
92 H GLN 44 H GLN 44 2.465 -3.162 3.748
93 HA GLN 44 HA GLN 44 0.224 -2.588 5.466
94 1HB GLN 44 2HB GLN 44 2.481 -1.512 5.510
95 2HB GLN 44 1HB GLN 44 2.100 -0.722 3.978
96 1HG GLN 44 2HG GLN 44 0.135 0.357 5.050
97 2HG GLN 44 1HG GLN 44 0.579 -0.392 6.583
98 1HE2 GLN 44 1HE2 GLN 44 0.521 2.344 6.651
99 2HE2 GLN 44 2HE2 GLN 44 2.088 2.995 6.627
100 H HIS 45 H HIS 45 0.763 -2.258 2.009
101 HA HIS 45 HA HIS 45 -1.411 -0.405 1.504
102 1HB HIS 45 2HB HIS 45 0.109 -2.397 -0.213
103 2HB HIS 45 1HB HIS 45 -0.999 -1.184 -0.856
104 HD1 HIS 45 1HD HIS 45 2.312 -1.517 0.928
105 HD2 HIS 45 2HD HIS 45 0.024 1.449 -0.902
106 HE1 HIS 45 1HE HIS 45 3.792 0.534 0.767
107 H ILE 46 H ILE 46 -1.087 -3.962 1.237
108 HA ILE 46 HA ILE 46 -3.755 -4.449 0.308
109 HB ILE 46 HB ILE 46 -1.980 -6.088 0.110
110 1HG1 ILE 46 2HG1 ILE 46 -3.798 -7.217 2.234
111 2HG1 ILE 46 1HG1 ILE 46 -4.415 -6.800 0.635
112 1HG2 ILE 46 1HG2 ILE 46 -0.560 -5.591 1.956
113 2HG2 ILE 46 2HG2 ILE 46 -1.177 -7.210 2.279
114 3HG2 ILE 46 3HG2 ILE 46 -1.865 -5.822 3.119
115 1HD1 ILE 46 1HD1 ILE 46 -2.873 -9.115 1.445
116 2HD1 ILE 46 2HD1 ILE 46 -2.028 -8.229 0.177
117 3HD1 ILE 46 3HD1 ILE 46 -3.674 -8.803 -0.094
118 H TYR 47 H TYR 47 -2.380 -4.090 3.555
119 HA TYR 47 HA TYR 47 -4.541 -5.079 5.100
120 1HB TYR 47 2HB TYR 47 -2.277 -4.440 5.907
121 2HB TYR 47 1HB TYR 47 -2.677 -2.744 5.633
122 HD1 TYR 47 1HD TYR 47 -3.422 -5.738 7.671
123 HD2 TYR 47 2HD TYR 47 -4.194 -1.552 7.095
124 HE1 TYR 47 1HE TYR 47 -4.514 -5.633 9.895
125 HE2 TYR 47 2HE TYR 47 -5.285 -1.447 9.320
126 HH TYR 47 HH TYR 47 -6.231 -2.771 10.963
127 H GLU 48 H GLU 48 -4.001 -1.857 3.704
128 HA GLU 48 HA GLU 48 -6.249 -0.538 4.870
129 1HB GLU 48 2HB GLU 48 -4.770 -0.178 2.243
130 2HB GLU 48 1HB GLU 48 -5.899 1.002 2.909
131 1HG GLU 48 2HG GLU 48 -4.500 1.142 4.962
132 2HG GLU 48 1HG GLU 48 -3.349 0.022 4.231
133 H THR 49 H THR 49 -5.916 -2.554 1.968
134 HA THR 49 HA THR 49 -8.429 -2.045 0.748
135 HB THR 49 HB THR 49 -6.865 -4.642 0.947
136 HG1 THR 49 1HG THR 49 -6.533 -2.277 -0.521
137 1HG2 THR 49 1HG2 THR 49 -8.635 -5.373 -0.270
138 2HG2 THR 49 2HG2 THR 49 -7.900 -4.459 -1.587
139 3HG2 THR 49 3HG2 THR 49 -9.186 -3.735 -0.621
140 H TYR 50 H TYR 50 -7.527 -4.202 3.417
141 HA TYR 50 HA TYR 50 -10.036 -5.587 3.648
142 1HB TYR 50 1HB TYR 50 -7.831 -4.900 5.618
143 2HB TYR 50 2HB TYR 50 -9.130 -6.038 5.962
144 HD1 TYR 50 1HD TYR 50 -6.530 -7.139 6.211
145 HD2 TYR 50 2HD TYR 50 -8.789 -6.503 2.610
146 HE1 TYR 50 1HE TYR 50 -5.247 -8.938 5.087
147 HE2 TYR 50 2HE TYR 50 -7.505 -8.304 1.489
148 HH TYR 50 HH TYR 50 -4.648 -9.609 2.795
149 H GLY 51 H GLY 51 -8.757 -2.630 5.177
150 1HA GLY 51 1HA GLY 51 -11.501 -1.672 5.624
151 2HA GLY 51 2HA GLY 51 -10.578 -1.982 7.094
152 1HN NH2 52 1H GLY 51 -11.524 0.629 5.685
153 2HN NH2 52 2H GLY 51 -10.117 1.578 5.628
Start of MODEL 4
1 1H ACE 33 1H ACE 33 18.623 -2.661 7.357
2 2H ACE 33 2H ACE 33 17.059 -3.470 7.457
3 3H ACE 33 3H ACE 33 17.161 -1.822 6.839
4 H PHE 34 H PHE 34 17.848 -5.203 6.104
5 HA PHE 34 HA PHE 34 18.955 -4.762 3.473
6 1HB PHE 34 2HB PHE 34 18.095 -6.941 5.225
7 2HB PHE 34 1HB PHE 34 17.752 -7.277 3.529
8 HD1 PHE 34 1HD PHE 34 19.434 -8.378 2.360
9 HD2 PHE 34 2HD PHE 34 20.507 -5.688 5.534
10 HE1 PHE 34 1HE PHE 34 21.832 -8.881 1.977
11 HE2 PHE 34 2HE PHE 34 22.904 -6.192 5.150
12 HZ PHE 34 HZ PHE 34 23.567 -7.789 3.372
13 HA PRO 35 HA PRO 35 15.412 -3.568 1.168
14 1HB PRO 35 2HB PRO 35 15.789 -5.010 -1.124
15 2HB PRO 35 1HB PRO 35 16.696 -3.531 -0.751
16 1HG PRO 35 2HG PRO 35 17.510 -6.384 -0.467
17 2HG PRO 35 1HG PRO 35 18.454 -4.993 -1.020
18 1HD PRO 35 2HD PRO 35 18.650 -6.045 1.486
19 2HD PRO 35 1HD PRO 35 18.972 -4.339 1.114
20 H ARG 36 H ARG 36 16.227 -6.885 1.887
21 HA ARG 36 HA ARG 36 14.021 -8.303 0.863
22 1HB ARG 36 2HB ARG 36 15.564 -8.580 3.460
23 2HB ARG 36 1HB ARG 36 14.509 -9.830 2.799
24 1HG ARG 36 2HG ARG 36 15.890 -9.792 0.700
25 2HG ARG 36 1HG ARG 36 16.999 -8.680 1.504
26 1HD ARG 36 2HD ARG 36 16.315 -11.497 2.427
27 2HD ARG 36 1HD ARG 36 17.860 -10.962 1.740
28 HE ARG 36 HE ARG 36 17.561 -9.202 3.792
29 1HH1 ARG 36 1HH2 ARG 36 15.922 -12.038 4.250
30 2HH1 ARG 36 2HH2 ARG 36 16.847 -12.586 5.608
31 1HH2 ARG 36 1HH1 ARG 36 19.288 -10.146 5.270
32 2HH2 ARG 36 2HH1 ARG 36 18.752 -11.516 6.185
33 H ILE 37 H ILE 37 14.244 -6.317 3.798
34 HA ILE 37 HA ILE 37 11.627 -7.050 4.816
35 HB ILE 37 HB ILE 37 12.110 -5.402 6.466
36 1HG1 ILE 37 1HG1 ILE 37 14.110 -4.168 4.550
37 2HG1 ILE 37 2HG1 ILE 37 12.475 -3.557 4.799
38 1HG2 ILE 37 1HG2 ILE 37 13.921 -6.499 7.223
39 2HG2 ILE 37 2HG2 ILE 37 14.943 -5.723 6.013
40 3HG2 ILE 37 3HG2 ILE 37 14.099 -7.223 5.624
41 1HD1 ILE 37 1HD1 ILE 37 14.590 -2.669 6.223
42 2HD1 ILE 37 2HD1 ILE 37 14.102 -4.021 7.245
43 3HD1 ILE 37 3HD1 ILE 37 12.956 -2.730 6.884
44 H TRP 38 H TRP 38 12.657 -5.054 2.245
45 HA TRP 38 HA TRP 38 10.783 -2.922 2.275
46 1HB TRP 38 2HB TRP 38 12.744 -3.174 0.777
47 2HB TRP 38 1HB TRP 38 11.931 -4.502 -0.049
48 HD1 TRP 38 HD TRP 38 11.886 -0.721 0.335
49 HE1 TRP 38 1HE TRP 38 10.343 0.287 -1.467
50 HE3 TRP 38 3HE TRP 38 9.817 -4.994 -1.547
51 HZ2 TRP 38 2HZ TRP 38 8.479 -0.600 -3.447
52 HZ3 TRP 38 3HZ TRP 38 8.162 -4.884 -3.387
53 HH2 TRP 38 HH TRP 38 7.492 -2.695 -4.340
54 H LEU 39 H LEU 39 10.445 -6.288 1.198
55 HA LEU 39 HA LEU 39 7.984 -6.112 -0.189
56 1HB LEU 39 2HB LEU 39 9.512 -8.076 -0.033
57 2HB LEU 39 1HB LEU 39 9.008 -8.306 1.642
58 HG LEU 39 HG LEU 39 6.616 -8.448 0.764
59 1HD1 LEU 39 1HD1 LEU 39 7.644 -9.261 -1.885
60 2HD1 LEU 39 2HD1 LEU 39 7.721 -7.528 -1.563
61 3HD1 LEU 39 3HD1 LEU 39 6.177 -8.374 -1.471
62 1HD2 LEU 39 1HD2 LEU 39 7.134 -10.606 1.199
63 2HD2 LEU 39 2HD2 LEU 39 8.785 -10.396 0.616
64 3HD2 LEU 39 3HD2 LEU 39 7.490 -10.766 -0.522
65 H HIS 40 H HIS 40 8.640 -6.339 3.288
66 HA HIS 40 HA HIS 40 5.982 -6.783 4.205
67 1HB HIS 40 2HB HIS 40 8.401 -5.364 5.349
68 2HB HIS 40 1HB HIS 40 6.939 -5.657 6.291
69 HD1 HIS 40 1HD HIS 40 9.810 -7.445 4.641
70 HD2 HIS 40 2HD HIS 40 6.524 -8.361 7.036
71 HE1 HIS 40 1HE HIS 40 10.121 -9.843 5.395
72 H ASN 41 H ASN 41 7.715 -3.787 3.382
73 HA ASN 41 HA ASN 41 5.897 -1.850 4.314
74 1HB ASN 41 2HB ASN 41 7.584 -2.007 1.794
75 2HB ASN 41 1HB ASN 41 6.824 -0.524 2.368
76 1HD2 ASN 41 1HD2 ASN 41 9.692 -0.814 2.178
77 2HD2 ASN 41 2HD2 ASN 41 10.327 -0.768 3.751
78 H LEU 42 H LEU 42 5.827 -3.716 1.280
79 HA LEU 42 HA LEU 42 3.543 -2.458 0.106
80 1HB LEU 42 2HB LEU 42 5.214 -3.944 -1.006
81 2HB LEU 42 1HB LEU 42 4.548 -5.314 -0.118
82 HG LEU 42 HG LEU 42 2.279 -4.654 -1.135
83 1HD1 LEU 42 1HD1 LEU 42 2.183 -2.860 -2.494
84 2HD1 LEU 42 2HD1 LEU 42 3.482 -3.507 -3.497
85 3HD1 LEU 42 3HD1 LEU 42 3.866 -2.515 -2.090
86 1HD2 LEU 42 1HD2 LEU 42 3.032 -5.645 -3.429
87 2HD2 LEU 42 2HD2 LEU 42 3.241 -6.628 -1.980
88 3HD2 LEU 42 3HD2 LEU 42 4.619 -5.771 -2.671
89 H GLY 43 H GLY 43 3.859 -4.924 2.592
90 1HA GLY 43 1HA GLY 43 1.235 -6.035 2.450
91 2HA GLY 43 2HA GLY 43 2.238 -6.003 3.902
92 H GLN 44 H GLN 44 2.442 -3.025 3.769
93 HA GLN 44 HA GLN 44 0.202 -2.368 5.445
94 1HB GLN 44 2HB GLN 44 2.250 -0.723 3.928
95 2HB GLN 44 1HB GLN 44 1.152 -0.047 5.131
96 1HG GLN 44 2HG GLN 44 2.061 -1.597 6.828
97 2HG GLN 44 1HG GLN 44 3.162 -2.267 5.625
98 1HE2 GLN 44 1HE2 GLN 44 4.164 -1.006 7.991
99 2HE2 GLN 44 2HE2 GLN 44 4.947 0.432 7.545
100 H HIS 45 H HIS 45 0.722 -2.201 1.982
101 HA HIS 45 HA HIS 45 -1.466 -0.343 1.445
102 1HB HIS 45 2HB HIS 45 0.172 -2.266 -0.236
103 2HB HIS 45 1HB HIS 45 -0.985 -1.120 -0.913
104 HD1 HIS 45 1HD HIS 45 2.310 -1.262 0.924
105 HD2 HIS 45 2HD HIS 45 -0.109 1.565 -0.956
106 HE1 HIS 45 1HE HIS 45 3.681 0.862 0.766
107 H ILE 46 H ILE 46 -1.029 -3.887 1.155
108 HA ILE 46 HA ILE 46 -3.709 -4.393 0.210
109 HB ILE 46 HB ILE 46 -3.071 -6.688 0.500
110 1HG1 ILE 46 2HG1 ILE 46 -0.819 -5.775 2.309
111 2HG1 ILE 46 1HG1 ILE 46 -2.373 -6.337 2.923
112 1HG2 ILE 46 1HG2 ILE 46 -1.516 -4.904 -0.872
113 2HG2 ILE 46 2HG2 ILE 46 -1.295 -6.653 -0.923
114 3HG2 ILE 46 3HG2 ILE 46 -0.317 -5.672 0.169
115 1HD1 ILE 46 1HD1 ILE 46 -1.532 -8.242 0.998
116 2HD1 ILE 46 2HD1 ILE 46 -1.640 -8.455 2.745
117 3HD1 ILE 46 3HD1 ILE 46 -0.133 -7.902 2.016
118 H TYR 47 H TYR 47 -2.269 -4.043 3.406
119 HA TYR 47 HA TYR 47 -4.357 -5.262 4.947
120 1HB TYR 47 1HB TYR 47 -2.069 -4.669 5.732
121 2HB TYR 47 2HB TYR 47 -2.491 -2.962 5.611
122 HD1 TYR 47 1HD TYR 47 -3.988 -1.914 7.210
123 HD2 TYR 47 2HD TYR 47 -3.128 -6.117 7.423
124 HE1 TYR 47 1HE TYR 47 -5.004 -2.007 9.470
125 HE2 TYR 47 2HE TYR 47 -4.143 -6.210 9.684
126 HH TYR 47 HH TYR 47 -6.119 -4.432 10.886
127 H GLU 48 H GLU 48 -3.930 -1.998 3.649
128 HA GLU 48 HA GLU 48 -6.144 -0.775 5.029
129 1HB GLU 48 2HB GLU 48 -4.708 -0.172 2.422
130 2HB GLU 48 1HB GLU 48 -5.835 0.935 3.206
131 1HG GLU 48 2HG GLU 48 -4.410 0.942 5.229
132 2HG GLU 48 1HG GLU 48 -3.277 -0.147 4.428
133 H THR 49 H THR 49 -5.841 -2.707 2.109
134 HA THR 49 HA THR 49 -8.297 -2.108 0.815
135 HB THR 49 HB THR 49 -6.839 -4.760 1.085
136 HG1 THR 49 1HG THR 49 -5.736 -4.015 -0.772
137 1HG2 THR 49 1HG2 THR 49 -8.298 -5.554 -0.425
138 2HG2 THR 49 2HG2 THR 49 -7.967 -4.199 -1.504
139 3HG2 THR 49 3HG2 THR 49 -9.219 -4.056 -0.270
140 H TYR 50 H TYR 50 -7.545 -4.266 3.525
141 HA TYR 50 HA TYR 50 -10.144 -5.514 3.705
142 1HB TYR 50 1HB TYR 50 -7.890 -5.032 5.682
143 2HB TYR 50 2HB TYR 50 -9.262 -6.092 5.999
144 HD1 TYR 50 1HD TYR 50 -9.660 -8.084 4.490
145 HD2 TYR 50 2HD TYR 50 -6.062 -5.744 4.334
146 HE1 TYR 50 1HE TYR 50 -8.515 -9.925 3.285
147 HE2 TYR 50 2HE TYR 50 -4.917 -7.584 3.128
148 HH TYR 50 HH TYR 50 -5.483 -9.509 1.752
149 H GLY 51 H GLY 51 -8.639 -2.706 5.311
150 1HA GLY 51 2HA GLY 51 -11.159 -1.343 5.624
151 2HA GLY 51 1HA GLY 51 -10.661 -2.068 7.152
152 1HN NH2 52 1H GLY 51 -10.782 0.710 7.066
153 2HN NH2 52 2H GLY 51 -9.217 1.367 7.045
Start of MODEL 5
1 1H ACE 33 1H ACE 33 15.053 -0.099 7.434
2 2H ACE 33 2H ACE 33 16.606 0.692 7.699
3 3H ACE 33 3H ACE 33 16.297 -0.898 8.396
4 H PHE 34 H PHE 34 16.915 -2.657 7.208
5 HA PHE 34 HA PHE 34 18.423 -2.350 4.781
6 1HB PHE 34 2HB PHE 34 17.351 -4.536 6.507
7 2HB PHE 34 1HB PHE 34 17.856 -4.980 4.877
8 HD1 PHE 34 1HD PHE 34 19.098 -2.713 7.609
9 HD2 PHE 34 2HD PHE 34 20.048 -5.726 4.700
10 HE1 PHE 34 1HE PHE 34 21.471 -2.657 8.327
11 HE2 PHE 34 2HE PHE 34 22.422 -5.671 5.418
12 HZ PHE 34 HZ PHE 34 23.133 -4.136 7.232
13 HA PRO 35 HA PRO 35 15.312 -2.053 1.694
14 1HB PRO 35 2HB PRO 35 16.348 -3.700 -0.228
15 2HB PRO 35 1HB PRO 35 16.951 -2.058 0.064
16 1HG PRO 35 2HG PRO 35 18.058 -4.677 0.959
17 2HG PRO 35 1HG PRO 35 18.905 -3.241 0.363
18 1HD PRO 35 2HD PRO 35 18.729 -3.883 3.000
19 2HD PRO 35 1HD PRO 35 18.865 -2.213 2.415
20 H ARG 36 H ARG 36 16.404 -5.084 3.050
21 HA ARG 36 HA ARG 36 14.614 -6.927 1.866
22 1HB ARG 36 2HB ARG 36 15.761 -6.704 4.663
23 2HB ARG 36 1HB ARG 36 14.974 -8.153 4.038
24 1HG ARG 36 2HG ARG 36 16.634 -8.153 2.146
25 2HG ARG 36 1HG ARG 36 17.475 -6.828 2.951
26 1HD ARG 36 2HD ARG 36 16.988 -9.600 4.108
27 2HD ARG 36 1HD ARG 36 18.547 -8.941 3.579
28 HE ARG 36 HE ARG 36 17.784 -7.032 5.338
29 1HH1 ARG 36 1HH2 ARG 36 18.956 -10.133 5.616
30 2HH1 ARG 36 2HH2 ARG 36 18.529 -10.351 7.280
31 1HH2 ARG 36 1HH1 ARG 36 16.647 -7.445 7.454
32 2HH2 ARG 36 2HH1 ARG 36 17.223 -8.829 8.320
33 H ILE 37 H ILE 37 14.079 -4.593 4.481
34 HA ILE 37 HA ILE 37 11.494 -5.626 5.275
35 HB ILE 37 HB ILE 37 11.439 -3.680 6.646
36 1HG1 ILE 37 1HG1 ILE 37 13.441 -2.411 4.754
37 2HG1 ILE 37 2HG1 ILE 37 11.714 -2.062 4.766
38 1HG2 ILE 37 1HG2 ILE 37 14.392 -3.726 6.362
39 2HG2 ILE 37 2HG2 ILE 37 13.620 -5.289 6.633
40 3HG2 ILE 37 3HG2 ILE 37 13.394 -3.980 7.794
41 1HD1 ILE 37 1HD1 ILE 37 11.825 -1.148 6.978
42 2HD1 ILE 37 2HD1 ILE 37 13.170 -0.438 6.085
43 3HD1 ILE 37 3HD1 ILE 37 13.462 -1.758 7.218
44 H TRP 38 H TRP 38 12.531 -3.953 2.500
45 HA TRP 38 HA TRP 38 10.405 -2.188 1.899
46 1HB TRP 38 2HB TRP 38 12.589 -2.571 0.684
47 2HB TRP 38 1HB TRP 38 11.882 -4.036 0.001
48 HD1 TRP 38 HD TRP 38 11.906 -0.293 -0.337
49 HE1 TRP 38 1HE TRP 38 10.415 0.406 -2.319
50 HE3 TRP 38 3HE TRP 38 9.634 -4.753 -1.347
51 HZ2 TRP 38 2HZ TRP 38 8.509 -0.771 -4.099
52 HZ3 TRP 38 3HZ TRP 38 7.988 -4.937 -3.190
53 HH2 TRP 38 HH TRP 38 7.422 -2.953 -4.567
54 H LEU 39 H LEU 39 10.656 -5.708 1.429
55 HA LEU 39 HA LEU 39 8.233 -6.082 -0.037
56 1HB LEU 39 2HB LEU 39 9.661 -7.889 1.938
57 2HB LEU 39 1HB LEU 39 8.528 -8.420 0.695
58 HG LEU 39 HG LEU 39 11.188 -7.039 0.225
59 1HD1 LEU 39 1HD1 LEU 39 10.581 -9.677 -0.962
60 2HD1 LEU 39 2HD1 LEU 39 10.731 -9.673 0.796
61 3HD1 LEU 39 3HD1 LEU 39 12.065 -9.099 -0.205
62 1HD2 LEU 39 1HD2 LEU 39 10.338 -6.427 -1.768
63 2HD2 LEU 39 2HD2 LEU 39 8.810 -7.227 -1.401
64 3HD2 LEU 39 3HD2 LEU 39 10.121 -8.134 -2.155
65 H HIS 40 H HIS 40 8.881 -5.780 3.420
66 HA HIS 40 HA HIS 40 6.320 -6.694 4.362
67 1HB HIS 40 2HB HIS 40 8.251 -6.563 5.807
68 2HB HIS 40 1HB HIS 40 8.454 -4.844 5.467
69 HD1 HIS 40 1HD HIS 40 7.513 -3.373 7.234
70 HD2 HIS 40 2HD HIS 40 5.463 -6.997 7.029
71 HE1 HIS 40 1HE HIS 40 5.749 -3.302 9.051
72 H ASN 41 H ASN 41 7.544 -3.520 3.345
73 HA ASN 41 HA ASN 41 5.422 -1.874 4.244
74 1HB ASN 41 2HB ASN 41 7.202 -1.801 1.790
75 2HB ASN 41 1HB ASN 41 6.176 -0.454 2.280
76 1HD2 ASN 41 1HD2 ASN 41 9.028 -0.188 2.220
77 2HD2 ASN 41 2HD2 ASN 41 9.586 -0.016 3.814
78 H LEU 42 H LEU 42 5.742 -3.714 1.195
79 HA LEU 42 HA LEU 42 3.416 -2.875 -0.138
80 1HB LEU 42 2HB LEU 42 5.214 -4.369 -0.993
81 2HB LEU 42 1HB LEU 42 4.607 -5.660 0.045
82 HG LEU 42 HG LEU 42 2.342 -5.299 -1.126
83 1HD1 LEU 42 1HD1 LEU 42 2.809 -3.147 -2.158
84 2HD1 LEU 42 2HD1 LEU 42 2.573 -4.340 -3.435
85 3HD1 LEU 42 3HD1 LEU 42 4.201 -3.815 -3.007
86 1HD2 LEU 42 1HD2 LEU 42 4.786 -6.632 -2.082
87 2HD2 LEU 42 2HD2 LEU 42 3.585 -6.362 -3.344
88 3HD2 LEU 42 3HD2 LEU 42 3.154 -7.275 -1.897
89 H GLY 43 H GLY 43 3.758 -5.227 2.495
90 1HA GLY 43 1HA GLY 43 1.126 -6.319 2.381
91 2HA GLY 43 2HA GLY 43 2.140 -6.285 3.823
92 H GLN 44 H GLN 44 2.357 -3.311 3.719
93 HA GLN 44 HA GLN 44 0.072 -2.680 5.360
94 1HB GLN 44 2HB GLN 44 2.376 -1.681 5.464
95 2HB GLN 44 1HB GLN 44 2.030 -0.839 3.953
96 1HG GLN 44 2HG GLN 44 0.057 0.231 5.045
97 2HG GLN 44 1HG GLN 44 0.507 -0.548 6.562
98 1HE2 GLN 44 1HE2 GLN 44 1.698 0.808 7.895
99 2HE2 GLN 44 2HE2 GLN 44 2.753 2.027 7.364
100 H HIS 45 H HIS 45 0.810 -2.212 1.938
101 HA HIS 45 HA HIS 45 -1.301 -0.336 1.364
102 1HB HIS 45 2HB HIS 45 0.223 -2.371 -0.292
103 2HB HIS 45 1HB HIS 45 -0.852 -1.159 -0.988
104 HD1 HIS 45 1HD HIS 45 2.458 -1.542 0.743
105 HD2 HIS 45 2HD HIS 45 0.139 1.516 -0.883
106 HE1 HIS 45 1HE HIS 45 3.946 0.504 0.632
107 H ILE 46 H ILE 46 -1.099 -3.895 0.978
108 HA ILE 46 HA ILE 46 -3.857 -4.178 0.135
109 HB ILE 46 HB ILE 46 -3.365 -6.537 0.341
110 1HG1 ILE 46 2HG1 ILE 46 -0.912 -5.771 1.948
111 2HG1 ILE 46 1HG1 ILE 46 -2.425 -6.305 2.681
112 1HG2 ILE 46 1HG2 ILE 46 -0.713 -5.225 -0.286
113 2HG2 ILE 46 2HG2 ILE 46 -2.095 -5.128 -1.377
114 3HG2 ILE 46 3HG2 ILE 46 -1.387 -6.695 -0.988
115 1HD1 ILE 46 1HD1 ILE 46 -0.649 -8.115 2.282
116 2HD1 ILE 46 2HD1 ILE 46 -1.005 -7.932 0.564
117 3HD1 ILE 46 3HD1 ILE 46 -2.269 -8.459 1.676
118 H TYR 47 H TYR 47 -2.226 -3.954 3.213
119 HA TYR 47 HA TYR 47 -4.154 -5.170 4.928
120 1HB TYR 47 2HB TYR 47 -1.812 -4.443 5.467
121 2HB TYR 47 1HB TYR 47 -2.364 -2.770 5.418
122 HD1 TYR 47 1HD TYR 47 -3.765 -1.850 7.173
123 HD2 TYR 47 2HD TYR 47 -2.590 -5.981 7.229
124 HE1 TYR 47 1HE TYR 47 -4.537 -2.038 9.523
125 HE2 TYR 47 2HE TYR 47 -3.363 -6.170 9.578
126 HH TYR 47 HH TYR 47 -3.664 -4.401 11.560
127 H GLU 48 H GLU 48 -3.824 -1.822 3.775
128 HA GLU 48 HA GLU 48 -6.023 -0.688 5.200
129 1HB GLU 48 2HB GLU 48 -4.042 0.271 3.720
130 2HB GLU 48 1HB GLU 48 -5.241 0.172 2.431
131 1HG GLU 48 2HG GLU 48 -6.821 1.446 3.975
132 2HG GLU 48 1HG GLU 48 -5.424 1.743 5.012
133 H THR 49 H THR 49 -5.823 -2.421 2.114
134 HA THR 49 HA THR 49 -8.408 -1.871 1.079
135 HB THR 49 HB THR 49 -6.792 -4.439 0.956
136 HG1 THR 49 1HG THR 49 -5.460 -2.846 0.302
137 1HG2 THR 49 1HG2 THR 49 -8.568 -3.267 -1.182
138 2HG2 THR 49 2HG2 THR 49 -9.211 -4.345 0.058
139 3HG2 THR 49 3HG2 THR 49 -7.958 -4.916 -1.043
140 H TYR 50 H TYR 50 -7.337 -4.218 3.514
141 HA TYR 50 HA TYR 50 -9.856 -5.638 3.703
142 1HB TYR 50 1HB TYR 50 -7.494 -5.275 5.572
143 2HB TYR 50 2HB TYR 50 -8.795 -6.433 5.848
144 HD1 TYR 50 1HD TYR 50 -5.710 -5.774 4.109
145 HD2 TYR 50 2HD TYR 50 -9.247 -8.207 4.067
146 HE1 TYR 50 1HE TYR 50 -4.573 -7.397 2.620
147 HE2 TYR 50 2HE TYR 50 -8.111 -9.833 2.577
148 HH TYR 50 HH TYR 50 -4.799 -9.237 1.398
149 H GLY 51 H GLY 51 -8.366 -3.002 5.604
150 1HA GLY 51 1HA GLY 51 -9.340 -1.446 7.068
151 2HA GLY 51 2HA GLY 51 -10.837 -1.701 6.170
152 1HN NH2 52 1H GLY 51 -8.886 -3.886 8.283
153 2HN NH2 52 2H GLY 51 -10.180 -4.302 9.299
Start of MODEL 6
1 1H ACE 33 1H ACE 33 17.393 -1.644 7.901
2 2H ACE 33 2H ACE 33 18.359 -3.064 8.307
3 3H ACE 33 3H ACE 33 16.636 -3.236 7.971
4 H PHE 34 H PHE 34 18.051 -4.869 6.474
5 HA PHE 34 HA PHE 34 19.217 -3.797 4.067
6 1HB PHE 34 2HB PHE 34 18.072 -6.456 4.939
7 2HB PHE 34 1HB PHE 34 18.755 -6.229 3.329
8 HD1 PHE 34 1HD PHE 34 19.500 -6.103 6.966
9 HD2 PHE 34 2HD PHE 34 21.123 -6.051 2.990
10 HE1 PHE 34 1HE PHE 34 21.781 -6.392 7.894
11 HE2 PHE 34 2HE PHE 34 23.405 -6.341 3.917
12 HZ PHE 34 HZ PHE 34 23.734 -6.512 6.369
13 HA PRO 35 HA PRO 35 15.731 -2.480 1.752
14 1HB PRO 35 2HB PRO 35 16.301 -3.512 -0.715
15 2HB PRO 35 1HB PRO 35 17.098 -2.066 -0.065
16 1HG PRO 35 2HG PRO 35 18.067 -4.883 -0.179
17 2HG PRO 35 1HG PRO 35 18.950 -3.377 -0.467
18 1HD PRO 35 2HD PRO 35 19.109 -4.784 1.857
19 2HD PRO 35 1HD PRO 35 19.322 -3.023 1.769
20 H ARG 36 H ARG 36 16.721 -5.821 1.965
21 HA ARG 36 HA ARG 36 14.639 -7.162 0.615
22 1HB ARG 36 2HB ARG 36 16.113 -7.798 3.189
23 2HB ARG 36 1HB ARG 36 15.160 -8.971 2.280
24 1HG ARG 36 2HG ARG 36 16.602 -8.514 0.282
25 2HG ARG 36 1HG ARG 36 17.604 -7.471 1.292
26 1HD ARG 36 2HD ARG 36 17.100 -10.437 1.745
27 2HD ARG 36 1HD ARG 36 18.619 -9.703 1.199
28 HE ARG 36 HE ARG 36 18.246 -8.307 3.462
29 1HH1 ARG 36 1HH2 ARG 36 16.522 -11.141 3.442
30 2HH1 ARG 36 2HH2 ARG 36 17.338 -11.875 4.783
31 1HH2 ARG 36 1HH1 ARG 36 19.826 -9.466 4.933
32 2HH2 ARG 36 2HH1 ARG 36 19.206 -10.928 5.626
33 H ILE 37 H ILE 37 14.630 -5.599 3.789
34 HA ILE 37 HA ILE 37 12.095 -6.685 4.670
35 HB ILE 37 HB ILE 37 12.379 -5.146 6.472
36 1HG1 ILE 37 1HG1 ILE 37 14.265 -3.561 4.703
37 2HG1 ILE 37 2HG1 ILE 37 12.580 -3.131 4.991
38 1HG2 ILE 37 1HG2 ILE 37 15.236 -5.444 5.583
39 2HG2 ILE 37 2HG2 ILE 37 14.279 -6.877 5.958
40 3HG2 ILE 37 3HG2 ILE 37 14.547 -5.648 7.194
41 1HD1 ILE 37 1HD1 ILE 37 14.658 -3.472 7.174
42 2HD1 ILE 37 2HD1 ILE 37 13.001 -2.904 7.379
43 3HD1 ILE 37 3HD1 ILE 37 14.168 -1.918 6.499
44 H TRP 38 H TRP 38 12.884 -4.417 2.268
45 HA TRP 38 HA TRP 38 10.817 -2.475 2.486
46 1HB TRP 38 2HB TRP 38 12.823 -2.476 0.976
47 2HB TRP 38 1HB TRP 38 12.033 -3.712 -0.002
48 HD1 TRP 38 HD TRP 38 11.851 -0.021 0.901
49 HE1 TRP 38 1HE TRP 38 10.249 1.164 -0.735
50 HE3 TRP 38 3HE TRP 38 9.945 -4.072 -1.556
51 HZ2 TRP 38 2HZ TRP 38 8.404 0.484 -2.812
52 HZ3 TRP 38 3HZ TRP 38 8.268 -3.775 -3.357
53 HH2 TRP 38 HH TRP 38 7.496 -1.505 -3.988
54 H LEU 39 H LEU 39 10.783 -5.777 1.207
55 HA LEU 39 HA LEU 39 8.331 -5.716 -0.221
56 1HB LEU 39 2HB LEU 39 10.026 -7.541 -0.186
57 2HB LEU 39 1HB LEU 39 9.537 -7.934 1.463
58 HG LEU 39 HG LEU 39 7.173 -8.233 0.559
59 1HD1 LEU 39 1HD1 LEU 39 8.079 -8.847 -2.128
60 2HD1 LEU 39 2HD1 LEU 39 8.366 -7.149 -1.746
61 3HD1 LEU 39 3HD1 LEU 39 6.740 -7.821 -1.614
62 1HD2 LEU 39 1HD2 LEU 39 7.664 -10.486 -0.349
63 2HD2 LEU 39 2HD2 LEU 39 8.633 -10.146 1.085
64 3HD2 LEU 39 3HD2 LEU 39 9.362 -10.040 -0.518
65 H HIS 40 H HIS 40 8.974 -6.086 3.243
66 HA HIS 40 HA HIS 40 6.385 -6.875 4.110
67 1HB HIS 40 2HB HIS 40 8.557 -5.176 5.377
68 2HB HIS 40 1HB HIS 40 7.182 -5.834 6.266
69 HD1 HIS 40 1HD HIS 40 10.264 -6.921 4.364
70 HD2 HIS 40 2HD HIS 40 7.367 -8.578 6.862
71 HE1 HIS 40 1HE HIS 40 11.050 -9.265 4.918
72 H ASN 41 H ASN 41 7.708 -3.688 3.316
73 HA ASN 41 HA ASN 41 5.680 -2.023 4.388
74 1HB ASN 41 2HB ASN 41 7.406 -1.854 1.902
75 2HB ASN 41 1HB ASN 41 6.451 -0.502 2.510
76 1HD2 ASN 41 1HD2 ASN 41 9.350 -0.450 2.390
77 2HD2 ASN 41 2HD2 ASN 41 9.932 -0.382 3.983
78 H LEU 42 H LEU 42 5.831 -3.742 1.278
79 HA LEU 42 HA LEU 42 3.521 -2.691 0.031
80 1HB LEU 42 2HB LEU 42 4.648 -5.511 0.004
81 2HB LEU 42 1HB LEU 42 3.601 -4.816 -1.232
82 HG LEU 42 HG LEU 42 6.389 -3.885 -0.485
83 1HD1 LEU 42 1HD1 LEU 42 5.352 -5.759 -2.405
84 2HD1 LEU 42 2HD1 LEU 42 7.029 -5.296 -2.115
85 3HD1 LEU 42 3HD1 LEU 42 6.047 -4.381 -3.259
86 1HD2 LEU 42 1HD2 LEU 42 5.174 -1.903 -0.978
87 2HD2 LEU 42 2HD2 LEU 42 4.260 -2.691 -2.264
88 3HD2 LEU 42 3HD2 LEU 42 5.970 -2.330 -2.493
89 H GLY 43 H GLY 43 3.840 -5.195 2.520
90 1HA GLY 43 1HA GLY 43 1.199 -6.242 2.405
91 2HA GLY 43 2HA GLY 43 2.217 -6.252 3.843
92 H GLN 44 H GLN 44 2.428 -3.239 3.707
93 HA GLN 44 HA GLN 44 0.209 -2.633 5.444
94 1HB GLN 44 2HB GLN 44 2.501 -1.589 5.422
95 2HB GLN 44 1HB GLN 44 2.055 -0.762 3.929
96 1HG GLN 44 2HG GLN 44 0.062 0.191 5.176
97 2HG GLN 44 1HG GLN 44 0.768 -0.459 6.655
98 1HE2 GLN 44 1HE2 GLN 44 3.536 0.161 5.217
99 2HE2 GLN 44 2HE2 GLN 44 3.753 1.810 5.552
100 H HIS 45 H HIS 45 0.738 -2.308 1.981
101 HA HIS 45 HA HIS 45 -1.430 -0.455 1.474
102 1HB HIS 45 2HB HIS 45 0.061 -2.471 -0.238
103 2HB HIS 45 1HB HIS 45 -1.037 -1.250 -0.882
104 HD1 HIS 45 1HD HIS 45 2.273 -1.600 0.910
105 HD2 HIS 45 2HD HIS 45 0.023 1.364 -0.970
106 HE1 HIS 45 1HE HIS 45 3.773 0.434 0.731
107 H ILE 46 H ILE 46 -1.131 -4.014 1.154
108 HA ILE 46 HA ILE 46 -3.806 -4.509 0.289
109 HB ILE 46 HB ILE 46 -2.020 -6.157 0.141
110 1HG1 ILE 46 2HG1 ILE 46 -3.825 -7.291 2.259
111 2HG1 ILE 46 1HG1 ILE 46 -4.500 -6.805 0.703
112 1HG2 ILE 46 1HG2 ILE 46 -1.987 -5.897 3.158
113 2HG2 ILE 46 2HG2 ILE 46 -0.664 -5.577 2.040
114 3HG2 ILE 46 3HG2 ILE 46 -1.214 -7.230 2.302
115 1HD1 ILE 46 1HD1 ILE 46 -3.497 -9.270 1.136
116 2HD1 ILE 46 2HD1 ILE 46 -2.019 -8.451 0.633
117 3HD1 ILE 46 3HD1 ILE 46 -3.418 -8.483 -0.440
118 H TYR 47 H TYR 47 -2.404 -4.120 3.518
119 HA TYR 47 HA TYR 47 -4.569 -5.038 5.101
120 1HB TYR 47 2HB TYR 47 -2.244 -4.393 5.813
121 2HB TYR 47 1HB TYR 47 -2.702 -2.702 5.606
122 HD1 TYR 47 1HD TYR 47 -4.172 -1.594 7.168
123 HD2 TYR 47 2HD TYR 47 -3.316 -5.783 7.560
124 HE1 TYR 47 1HE TYR 47 -5.188 -1.588 9.431
125 HE2 TYR 47 2HE TYR 47 -4.331 -5.780 9.824
126 HH TYR 47 HH TYR 47 -5.313 -4.569 11.393
127 H GLU 48 H GLU 48 -3.945 -1.839 3.694
128 HA GLU 48 HA GLU 48 -6.135 -0.433 4.837
129 1HB GLU 48 2HB GLU 48 -4.042 0.250 3.382
130 2HB GLU 48 1HB GLU 48 -5.158 0.033 2.034
131 1HG GLU 48 2HG GLU 48 -6.770 1.561 3.261
132 2HG GLU 48 1HG GLU 48 -5.460 1.911 4.388
133 H THR 49 H THR 49 -5.931 -2.598 2.052
134 HA THR 49 HA THR 49 -8.384 -2.017 0.763
135 HB THR 49 HB THR 49 -7.043 -4.707 1.196
136 HG1 THR 49 1HG THR 49 -5.743 -4.143 -0.484
137 1HG2 THR 49 1HG2 THR 49 -8.043 -5.319 -0.913
138 2HG2 THR 49 2HG2 THR 49 -8.644 -3.680 -1.160
139 3HG2 THR 49 3HG2 THR 49 -9.322 -4.685 0.121
140 H TYR 50 H TYR 50 -7.689 -4.018 3.614
141 HA TYR 50 HA TYR 50 -10.343 -5.137 3.878
142 1HB TYR 50 1HB TYR 50 -8.059 -4.657 5.817
143 2HB TYR 50 2HB TYR 50 -9.486 -5.614 6.205
144 HD1 TYR 50 1HD TYR 50 -10.011 -7.667 4.813
145 HD2 TYR 50 2HD TYR 50 -6.272 -5.569 4.539
146 HE1 TYR 50 1HE TYR 50 -8.977 -9.649 3.742
147 HE2 TYR 50 2HE TYR 50 -5.239 -7.551 3.465
148 HH TYR 50 HH TYR 50 -5.970 -10.307 3.608
149 H GLY 51 H GLY 51 -8.712 -2.306 5.319
150 1HA GLY 51 1HA GLY 51 -11.410 -1.349 6.205
151 2HA GLY 51 2HA GLY 51 -9.955 -1.087 7.168
152 1HN NH2 52 1H GLY 51 -8.206 0.276 6.065
153 2HN NH2 52 2H GLY 51 -8.704 1.504 5.004
Start of MODEL 7
1 1H ACE 33 1H ACE 33 18.684 -3.859 7.849
2 2H ACE 33 2H ACE 33 16.939 -3.737 7.627
3 3H ACE 33 3H ACE 33 17.941 -2.289 7.541
4 H PHE 34 H PHE 34 18.291 -5.516 6.038
5 HA PHE 34 HA PHE 34 19.237 -4.440 3.536
6 1HB PHE 34 2HB PHE 34 18.225 -7.092 4.556
7 2HB PHE 34 1HB PHE 34 18.639 -6.889 2.854
8 HD1 PHE 34 1HD PHE 34 19.995 -6.394 6.305
9 HD2 PHE 34 2HD PHE 34 20.882 -7.022 2.149
10 HE1 PHE 34 1HE PHE 34 22.398 -6.662 6.858
11 HE2 PHE 34 2HE PHE 34 23.284 -7.291 2.702
12 HZ PHE 34 HZ PHE 34 24.043 -7.111 5.057
13 HA PRO 35 HA PRO 35 15.580 -3.169 1.489
14 1HB PRO 35 2HB PRO 35 15.883 -4.313 -0.977
15 2HB PRO 35 1HB PRO 35 16.767 -2.860 -0.469
16 1HG PRO 35 2HG PRO 35 17.668 -5.700 -0.561
17 2HG PRO 35 1HG PRO 35 18.545 -4.226 -0.995
18 1HD PRO 35 2HD PRO 35 18.910 -5.542 1.358
19 2HD PRO 35 1HD PRO 35 19.142 -3.791 1.177
20 H ARG 36 H ARG 36 16.522 -6.520 1.746
21 HA ARG 36 HA ARG 36 14.363 -7.924 0.664
22 1HB ARG 36 2HB ARG 36 16.421 -8.837 1.750
23 2HB ARG 36 1HB ARG 36 15.744 -8.407 3.321
24 1HG ARG 36 2HG ARG 36 15.198 -10.708 3.003
25 2HG ARG 36 1HG ARG 36 13.711 -9.821 2.663
26 1HD ARG 36 2HD ARG 36 14.213 -9.921 0.233
27 2HD ARG 36 1HD ARG 36 15.688 -10.841 0.587
28 HE ARG 36 HE ARG 36 13.973 -12.414 1.848
29 1HH1 ARG 36 1HH2 ARG 36 11.527 -11.119 0.845
30 2HH1 ARG 36 2HH2 ARG 36 11.188 -11.993 -0.611
31 1HH2 ARG 36 1HH1 ARG 36 14.372 -13.346 -0.855
32 2HH2 ARG 36 2HH1 ARG 36 12.798 -13.255 -1.573
33 H ILE 37 H ILE 37 14.501 -6.165 3.742
34 HA ILE 37 HA ILE 37 11.898 -7.054 4.674
35 HB ILE 37 HB ILE 37 12.322 -5.508 6.451
36 1HG1 ILE 37 1HG1 ILE 37 14.377 -4.158 4.677
37 2HG1 ILE 37 2HG1 ILE 37 12.734 -3.560 4.905
38 1HG2 ILE 37 1HG2 ILE 37 14.107 -6.680 7.157
39 2HG2 ILE 37 2HG2 ILE 37 15.160 -5.810 6.041
40 3HG2 ILE 37 3HG2 ILE 37 14.326 -7.270 5.510
41 1HD1 ILE 37 1HD1 ILE 37 15.047 -3.416 6.714
42 2HD1 ILE 37 2HD1 ILE 37 13.570 -3.976 7.499
43 3HD1 ILE 37 3HD1 ILE 37 13.591 -2.420 6.669
44 H TRP 38 H TRP 38 12.835 -4.927 2.217
45 HA TRP 38 HA TRP 38 10.930 -2.807 2.451
46 1HB TRP 38 2HB TRP 38 12.924 -2.879 0.968
47 2HB TRP 38 1HB TRP 38 12.140 -4.126 -0.001
48 HD1 TRP 38 HD TRP 38 12.115 -0.408 0.699
49 HE1 TRP 38 1HE TRP 38 10.543 0.763 -0.975
50 HE3 TRP 38 3HE TRP 38 9.934 -4.488 -1.462
51 HZ2 TRP 38 2HZ TRP 38 8.615 0.061 -2.968
52 HZ3 TRP 38 3HZ TRP 38 8.234 -4.210 -3.243
53 HH2 TRP 38 HH TRP 38 7.572 -1.942 -3.998
54 H LEU 39 H LEU 39 10.622 -6.131 1.351
55 HA LEU 39 HA LEU 39 8.195 -5.850 -0.162
56 1HB LEU 39 2HB LEU 39 9.750 -7.787 -0.207
57 2HB LEU 39 1HB LEU 39 9.281 -8.184 1.447
58 HG LEU 39 HG LEU 39 6.865 -8.258 0.563
59 1HD1 LEU 39 1HD1 LEU 39 6.495 -7.809 -1.612
60 2HD1 LEU 39 2HD1 LEU 39 7.673 -9.030 -2.098
61 3HD1 LEU 39 3HD1 LEU 39 8.198 -7.377 -1.773
62 1HD2 LEU 39 1HD2 LEU 39 7.149 -10.500 0.564
63 2HD2 LEU 39 2HD2 LEU 39 8.877 -10.186 0.717
64 3HD2 LEU 39 3HD2 LEU 39 8.165 -10.438 -0.877
65 H HIS 40 H HIS 40 8.853 -6.182 3.283
66 HA HIS 40 HA HIS 40 6.239 -6.900 4.181
67 1HB HIS 40 2HB HIS 40 8.496 -5.292 5.414
68 2HB HIS 40 1HB HIS 40 7.100 -5.873 6.323
69 HD1 HIS 40 1HD HIS 40 10.066 -7.158 4.345
70 HD2 HIS 40 2HD HIS 40 7.200 -8.586 7.014
71 HE1 HIS 40 1HE HIS 40 10.762 -9.518 4.947
72 H ASN 41 H ASN 41 7.692 -3.764 3.388
73 HA ASN 41 HA ASN 41 5.720 -2.031 4.462
74 1HB ASN 41 1HB ASN 41 7.526 -1.925 2.033
75 2HB ASN 41 2HB ASN 41 6.560 -0.544 2.552
76 1HD2 ASN 41 1HD2 ASN 41 7.507 -2.424 5.258
77 2HD2 ASN 41 2HD2 ASN 41 8.845 -1.493 5.727
78 H LEU 42 H LEU 42 5.835 -3.743 1.344
79 HA LEU 42 HA LEU 42 3.565 -2.573 0.104
80 1HB LEU 42 2HB LEU 42 4.620 -5.419 -0.009
81 2HB LEU 42 1HB LEU 42 3.607 -4.651 -1.231
82 HG LEU 42 HG LEU 42 6.410 -3.821 -0.422
83 1HD1 LEU 42 1HD1 LEU 42 6.983 -5.295 -2.028
84 2HD1 LEU 42 2HD1 LEU 42 6.199 -4.223 -3.188
85 3HD1 LEU 42 3HD1 LEU 42 5.296 -5.557 -2.470
86 1HD2 LEU 42 1HD2 LEU 42 5.692 -2.414 -2.701
87 2HD2 LEU 42 2HD2 LEU 42 5.745 -1.753 -1.066
88 3HD2 LEU 42 3HD2 LEU 42 4.225 -2.362 -1.722
89 H GLY 43 H GLY 43 3.816 -5.011 2.629
90 1HA GLY 43 1HA GLY 43 1.205 -6.127 2.449
91 2HA GLY 43 2HA GLY 43 2.167 -6.058 3.925
92 H GLN 44 H GLN 44 2.322 -3.057 3.700
93 HA GLN 44 HA GLN 44 0.014 -2.434 5.312
94 1HB GLN 44 2HB GLN 44 2.280 -1.356 5.385
95 2HB GLN 44 1HB GLN 44 1.922 -0.597 3.834
96 1HG GLN 44 2HG GLN 44 -0.113 0.439 4.878
97 2HG GLN 44 1HG GLN 44 0.406 -0.213 6.432
98 1HE2 GLN 44 1HE2 GLN 44 1.333 1.467 7.612
99 2HE2 GLN 44 2HE2 GLN 44 2.413 2.618 6.986
100 H HIS 45 H HIS 45 0.727 -2.140 1.872
101 HA HIS 45 HA HIS 45 -1.428 -0.343 1.202
102 1HB HIS 45 2HB HIS 45 0.152 -2.421 -0.344
103 2HB HIS 45 1HB HIS 45 -0.953 -1.275 -1.103
104 HD1 HIS 45 1HD HIS 45 2.282 -1.397 0.858
105 HD2 HIS 45 2HD HIS 45 0.049 1.342 -1.354
106 HE1 HIS 45 1HE HIS 45 3.733 0.663 0.593
107 H ILE 46 H ILE 46 -1.132 -3.912 1.010
108 HA ILE 46 HA ILE 46 -3.873 -4.314 0.164
109 HB ILE 46 HB ILE 46 -3.310 -6.640 0.465
110 1HG1 ILE 46 2HG1 ILE 46 -0.906 -5.773 2.090
111 2HG1 ILE 46 1HG1 ILE 46 -2.431 -6.268 2.825
112 1HG2 ILE 46 1HG2 ILE 46 -1.338 -6.792 -0.839
113 2HG2 ILE 46 2HG2 ILE 46 -0.651 -5.334 -0.122
114 3HG2 ILE 46 3HG2 ILE 46 -2.006 -5.210 -1.245
115 1HD1 ILE 46 1HD1 ILE 46 -0.442 -8.013 2.293
116 2HD1 ILE 46 2HD1 ILE 46 -1.305 -8.086 0.757
117 3HD1 ILE 46 3HD1 ILE 46 -2.144 -8.473 2.258
118 H TYR 47 H TYR 47 -2.261 -3.969 3.257
119 HA TYR 47 HA TYR 47 -4.189 -5.123 4.997
120 1HB TYR 47 1HB TYR 47 -1.866 -4.318 5.522
121 2HB TYR 47 2HB TYR 47 -2.463 -2.662 5.406
122 HD1 TYR 47 1HD TYR 47 -2.665 -5.825 7.317
123 HD2 TYR 47 2HD TYR 47 -3.857 -1.702 7.132
124 HE1 TYR 47 1HE TYR 47 -3.452 -5.947 9.665
125 HE2 TYR 47 2HE TYR 47 -4.644 -1.825 9.482
126 HH TYR 47 HH TYR 47 -4.222 -4.790 11.407
127 H GLU 48 H GLU 48 -3.888 -1.784 3.792
128 HA GLU 48 HA GLU 48 -6.139 -0.659 5.108
129 1HB GLU 48 1HB GLU 48 -4.173 0.293 3.608
130 2HB GLU 48 2HB GLU 48 -5.348 0.095 2.309
131 1HG GLU 48 2HG GLU 48 -6.992 1.390 3.757
132 2HG GLU 48 1HG GLU 48 -5.633 1.768 4.816
133 H THR 49 H THR 49 -5.858 -2.543 2.125
134 HA THR 49 HA THR 49 -8.428 -2.123 1.009
135 HB THR 49 HB THR 49 -6.773 -4.667 1.115
136 HG1 THR 49 1HG THR 49 -6.681 -2.562 -0.775
137 1HG2 THR 49 1HG2 THR 49 -8.250 -5.504 -0.356
138 2HG2 THR 49 2HG2 THR 49 -8.061 -4.092 -1.396
139 3HG2 THR 49 3HG2 THR 49 -9.258 -4.079 -0.101
140 H TYR 50 H TYR 50 -7.366 -4.244 3.643
141 HA TYR 50 HA TYR 50 -9.841 -5.716 3.905
142 1HB TYR 50 1HB TYR 50 -7.539 -5.094 5.780
143 2HB TYR 50 2HB TYR 50 -8.823 -6.239 6.163
144 HD1 TYR 50 1HD TYR 50 -5.794 -5.641 4.229
145 HD2 TYR 50 2HD TYR 50 -9.124 -8.295 4.777
146 HE1 TYR 50 1HE TYR 50 -4.594 -7.405 2.964
147 HE2 TYR 50 2HE TYR 50 -7.927 -10.059 3.509
148 HH TYR 50 HH TYR 50 -4.706 -10.031 2.923
149 H GLY 51 H GLY 51 -8.513 -2.828 5.534
150 1HA GLY 51 2HA GLY 51 -11.098 -1.658 5.957
151 2HA GLY 51 1HA GLY 51 -10.559 -2.443 7.441
152 1HN NH2 52 1H GLY 51 -7.846 -1.896 7.511
153 2HN NH2 52 2H GLY 51 -7.576 -0.220 7.540
Start of MODEL 8
1 1H ACE 33 1H ACE 33 16.930 -0.776 5.780
2 2H ACE 33 2H ACE 33 17.130 0.839 5.101
3 3H ACE 33 3H ACE 33 18.539 -0.064 5.655
4 H PHE 34 H PHE 34 18.081 -2.558 4.530
5 HA PHE 34 HA PHE 34 18.864 -2.117 1.778
6 1HB PHE 34 2HB PHE 34 18.324 -4.410 3.626
7 2HB PHE 34 1HB PHE 34 18.411 -4.747 1.897
8 HD1 PHE 34 1HD PHE 34 20.252 -2.612 4.383
9 HD2 PHE 34 2HD PHE 34 20.505 -5.385 1.113
10 HE1 PHE 34 1HE PHE 34 22.727 -2.507 4.488
11 HE2 PHE 34 2HE PHE 34 22.980 -5.282 1.217
12 HZ PHE 34 HZ PHE 34 24.092 -3.843 2.905
13 HA PRO 35 HA PRO 35 14.957 -1.705 -0.189
14 1HB PRO 35 2HB PRO 35 15.389 -3.212 -2.432
15 2HB PRO 35 1HB PRO 35 16.020 -1.568 -2.234
16 1HG PRO 35 2HG PRO 35 17.398 -4.186 -1.897
17 2HG PRO 35 1HG PRO 35 17.997 -2.681 -2.607
18 1HD PRO 35 2HD PRO 35 18.621 -3.513 -0.086
19 2HD PRO 35 1HD PRO 35 18.576 -1.806 -0.572
20 H ARG 36 H ARG 36 16.459 -4.783 0.545
21 HA ARG 36 HA ARG 36 14.461 -6.635 -0.134
22 1HB ARG 36 2HB ARG 36 16.324 -6.429 2.246
23 2HB ARG 36 1HB ARG 36 15.402 -7.884 1.864
24 1HG ARG 36 2HG ARG 36 16.450 -7.810 -0.448
25 2HG ARG 36 1HG ARG 36 17.517 -6.543 0.161
26 1HD ARG 36 2HD ARG 36 17.279 -9.366 1.269
27 2HD ARG 36 1HD ARG 36 18.660 -8.695 0.380
28 HE ARG 36 HE ARG 36 18.227 -6.896 2.465
29 1HH1 ARG 36 1HH1 ARG 36 20.639 -8.762 2.111
30 2HH1 ARG 36 2HH1 ARG 36 20.647 -9.575 3.641
31 1HH2 ARG 36 1HH2 ARG 36 17.428 -8.592 4.478
32 2HH2 ARG 36 2HH2 ARG 36 18.828 -9.478 4.981
33 H ILE 37 H ILE 37 14.600 -4.454 2.665
34 HA ILE 37 HA ILE 37 12.293 -5.582 4.006
35 HB ILE 37 HB ILE 37 12.594 -3.736 5.487
36 1HG1 ILE 37 1HG1 ILE 37 14.132 -2.319 3.291
37 2HG1 ILE 37 2HG1 ILE 37 12.438 -2.005 3.668
38 1HG2 ILE 37 1HG2 ILE 37 14.653 -4.402 6.109
39 2HG2 ILE 37 2HG2 ILE 37 15.380 -3.566 4.737
40 3HG2 ILE 37 3HG2 ILE 37 14.805 -5.224 4.556
41 1HD1 ILE 37 1HD1 ILE 37 12.950 -1.136 5.801
42 2HD1 ILE 37 2HD1 ILE 37 14.225 -0.483 4.772
43 3HD1 ILE 37 3HD1 ILE 37 14.554 -1.869 5.812
44 H TRP 38 H TRP 38 12.632 -3.677 1.204
45 HA TRP 38 HA TRP 38 10.377 -1.941 1.323
46 1HB TRP 38 2HB TRP 38 12.243 -1.967 -0.354
47 2HB TRP 38 1HB TRP 38 11.539 -3.425 -1.055
48 HD1 TRP 38 HD TRP 38 10.915 0.315 -0.644
49 HE1 TRP 38 1HE TRP 38 9.092 1.042 -2.317
50 HE3 TRP 38 3HE TRP 38 9.485 -4.249 -2.431
51 HZ2 TRP 38 2HZ TRP 38 7.270 -0.154 -4.167
52 HZ3 TRP 38 3HZ TRP 38 7.705 -4.427 -4.145
53 HH2 TRP 38 HH TRP 38 6.596 -2.387 -5.015
54 H LEU 39 H LEU 39 10.618 -5.397 0.755
55 HA LEU 39 HA LEU 39 8.023 -5.774 -0.447
56 1HB LEU 39 2HB LEU 39 10.067 -7.470 0.973
57 2HB LEU 39 1HB LEU 39 8.524 -8.165 0.475
58 HG LEU 39 HG LEU 39 8.982 -7.274 -1.849
59 1HD1 LEU 39 1HD2 LEU 39 11.462 -6.816 -2.262
60 2HD1 LEU 39 2HD2 LEU 39 11.626 -6.655 -0.513
61 3HD1 LEU 39 3HD2 LEU 39 10.579 -5.551 -1.408
62 1HD2 LEU 39 1HD1 LEU 39 9.377 -9.623 -1.345
63 2HD2 LEU 39 2HD1 LEU 39 10.945 -9.241 -0.633
64 3HD2 LEU 39 3HD1 LEU 39 10.690 -9.034 -2.366
65 H HIS 40 H HIS 40 9.197 -5.746 2.895
66 HA HIS 40 HA HIS 40 6.850 -6.757 4.168
67 1HB HIS 40 2HB HIS 40 9.003 -4.793 5.017
68 2HB HIS 40 1HB HIS 40 7.825 -5.488 6.131
69 HD1 HIS 40 1HD HIS 40 10.642 -6.532 3.810
70 HD2 HIS 40 2HD HIS 40 8.402 -8.098 6.958
71 HE1 HIS 40 1HE HIS 40 11.729 -8.732 4.438
72 H ASN 41 H ASN 41 7.749 -3.496 3.097
73 HA ASN 41 HA ASN 41 5.618 -2.041 4.315
74 1HB ASN 41 1HB ASN 41 7.208 -1.688 1.758
75 2HB ASN 41 2HB ASN 41 6.135 -0.449 2.408
76 1HD2 ASN 41 1HD2 ASN 41 9.012 -0.109 2.147
77 2HD2 ASN 41 2HD2 ASN 41 9.649 0.057 3.711
78 H LEU 42 H LEU 42 5.847 -3.732 1.190
79 HA LEU 42 HA LEU 42 3.424 -2.964 -0.004
80 1HB LEU 42 2HB LEU 42 5.253 -4.393 -0.951
81 2HB LEU 42 1HB LEU 42 4.687 -5.725 0.058
82 HG LEU 42 HG LEU 42 2.377 -5.290 -1.037
83 1HD1 LEU 42 1HD1 LEU 42 2.996 -4.467 -3.515
84 2HD1 LEU 42 2HD1 LEU 42 4.222 -3.565 -2.625
85 3HD1 LEU 42 3HD1 LEU 42 2.513 -3.336 -2.251
86 1HD2 LEU 42 1HD2 LEU 42 4.271 -6.271 -3.111
87 2HD2 LEU 42 2HD2 LEU 42 2.817 -7.031 -2.465
88 3HD2 LEU 42 3HD2 LEU 42 4.322 -7.085 -1.547
89 H GLY 43 H GLY 43 3.993 -5.374 2.543
90 1HA GLY 43 1HA GLY 43 1.312 -6.436 2.537
91 2HA GLY 43 2HA GLY 43 2.485 -6.622 3.840
92 H GLN 44 H GLN 44 2.479 -3.414 3.428
93 HA GLN 44 HA GLN 44 0.572 -2.999 5.652
94 1HB GLN 44 2HB GLN 44 2.589 -1.249 4.213
95 2HB GLN 44 1HB GLN 44 1.633 -0.713 5.592
96 1HG GLN 44 2HG GLN 44 2.597 -2.485 6.983
97 2HG GLN 44 1HG GLN 44 3.507 -3.098 5.603
98 1HE2 GLN 44 1HE2 GLN 44 4.830 -2.190 7.984
99 2HE2 GLN 44 2HE2 GLN 44 5.702 -0.783 7.607
100 H HIS 45 H HIS 45 0.707 -2.574 2.205
101 HA HIS 45 HA HIS 45 -1.390 -0.500 2.179
102 1HB HIS 45 2HB HIS 45 -0.849 -0.331 -0.090
103 2HB HIS 45 1HB HIS 45 0.671 -0.908 0.586
104 HD1 HIS 45 1HD HIS 45 1.625 -2.856 -0.633
105 HD2 HIS 45 2HD HIS 45 -2.531 -2.748 -0.949
106 HE1 HIS 45 1HE HIS 45 0.965 -4.794 -2.128
107 H ILE 46 H ILE 46 -1.125 -3.999 1.796
108 HA ILE 46 HA ILE 46 -3.677 -4.452 0.548
109 HB ILE 46 HB ILE 46 -3.234 -6.734 1.074
110 1HG1 ILE 46 2HG1 ILE 46 -1.314 -5.864 3.247
111 2HG1 ILE 46 1HG1 ILE 46 -3.004 -6.253 3.569
112 1HG2 ILE 46 1HG2 ILE 46 -1.141 -5.036 0.178
113 2HG2 ILE 46 2HG2 ILE 46 -1.358 -6.753 -0.158
114 3HG2 ILE 46 3HG2 ILE 46 -0.411 -6.241 1.238
115 1HD1 ILE 46 1HD1 ILE 46 -1.052 -8.129 2.208
116 2HD1 ILE 46 2HD1 ILE 46 -2.707 -8.500 2.689
117 3HD1 ILE 46 3HD1 ILE 46 -1.478 -8.203 3.917
118 H TYR 47 H TYR 47 -2.700 -3.786 3.843
119 HA TYR 47 HA TYR 47 -5.000 -4.757 5.240
120 1HB TYR 47 2HB TYR 47 -2.829 -4.067 6.233
121 2HB TYR 47 1HB TYR 47 -3.176 -2.394 5.797
122 HD1 TYR 47 1HD TYR 47 -4.868 -1.104 6.983
123 HD2 TYR 47 2HD TYR 47 -4.102 -5.207 7.995
124 HE1 TYR 47 1HE TYR 47 -6.159 -0.827 9.081
125 HE2 TYR 47 2HE TYR 47 -5.395 -4.931 10.094
126 HH TYR 47 HH TYR 47 -6.177 -1.993 11.392
127 H GLU 48 H GLU 48 -4.304 -1.642 3.685
128 HA GLU 48 HA GLU 48 -6.685 -0.277 4.517
129 1HB GLU 48 2HB GLU 48 -4.876 -0.003 2.092
130 2HB GLU 48 1HB GLU 48 -6.074 1.198 2.578
131 1HG GLU 48 2HG GLU 48 -4.939 1.426 4.769
132 2HG GLU 48 1HG GLU 48 -3.728 0.251 4.255
133 H THR 49 H THR 49 -5.961 -2.489 1.863
134 HA THR 49 HA THR 49 -8.226 -2.062 0.210
135 HB THR 49 HB THR 49 -6.780 -4.643 0.906
136 HG1 THR 49 1HG THR 49 -5.698 -3.895 -1.164
137 1HG2 THR 49 1HG2 THR 49 -7.745 -4.141 -1.836
138 2HG2 THR 49 2HG2 THR 49 -9.021 -4.341 -0.634
139 3HG2 THR 49 3HG2 THR 49 -7.820 -5.612 -0.867
140 H TYR 50 H TYR 50 -7.833 -3.934 3.192
141 HA TYR 50 HA TYR 50 -10.400 -5.246 3.137
142 1HB TYR 50 1HB TYR 50 -8.465 -4.466 5.340
143 2HB TYR 50 2HB TYR 50 -9.864 -5.505 5.601
144 HD1 TYR 50 1HD TYR 50 -10.024 -7.708 4.439
145 HD2 TYR 50 2HD TYR 50 -6.491 -5.273 4.235
146 HE1 TYR 50 1HE TYR 50 -8.720 -9.664 3.646
147 HE2 TYR 50 2HE TYR 50 -5.189 -7.228 3.441
148 HH TYR 50 HH TYR 50 -5.338 -9.708 3.570
149 H GLY 51 H GLY 51 -9.233 -2.204 4.585
150 1HA GLY 51 2HA GLY 51 -10.423 -0.328 5.343
151 2HA GLY 51 1HA GLY 51 -11.767 -0.894 4.351
152 1HN NH2 52 1H GLY 51 -10.303 -2.762 7.013
153 2HN NH2 52 2H GLY 51 -11.675 -2.732 8.012
Start of MODEL 9
1 1H ACE 33 1H ACE 33 18.743 -7.955 2.729
2 2H ACE 33 2H ACE 33 20.024 -7.353 3.781
3 3H ACE 33 3H ACE 33 19.925 -6.804 2.108
4 H PHE 34 H PHE 34 19.972 -4.665 3.418
5 HA PHE 34 HA PHE 34 17.943 -3.677 5.041
6 1HB PHE 34 2HB PHE 34 19.838 -2.632 3.024
7 2HB PHE 34 1HB PHE 34 18.484 -1.563 3.397
8 HD1 PHE 34 1HD PHE 34 21.748 -2.188 4.271
9 HD2 PHE 34 2HD PHE 34 17.895 -1.719 6.110
10 HE1 PHE 34 1HE PHE 34 22.843 -1.544 6.400
11 HE2 PHE 34 2HE PHE 34 18.990 -1.075 8.241
12 HZ PHE 34 HZ PHE 34 21.464 -0.988 8.385
13 HA PRO 35 HA PRO 35 15.349 -2.520 1.178
14 1HB PRO 35 2HB PRO 35 15.776 -3.974 -1.099
15 2HB PRO 35 1HB PRO 35 16.564 -2.418 -0.778
16 1HG PRO 35 2HG PRO 35 17.624 -5.183 -0.477
17 2HG PRO 35 1HG PRO 35 18.432 -3.724 -1.069
18 1HD PRO 35 2HD PRO 35 18.778 -4.726 1.436
19 2HD PRO 35 1HD PRO 35 18.951 -3.005 1.042
20 H ARG 36 H ARG 36 16.293 -5.596 2.313
21 HA ARG 36 HA ARG 36 14.279 -7.309 1.247
22 1HB ARG 36 2HB ARG 36 16.278 -7.992 2.556
23 2HB ARG 36 1HB ARG 36 15.569 -7.259 3.995
24 1HG ARG 36 2HG ARG 36 13.596 -8.784 3.731
25 2HG ARG 36 1HG ARG 36 14.441 -9.583 2.406
26 1HD ARG 36 2HD ARG 36 15.475 -9.356 5.257
27 2HD ARG 36 1HD ARG 36 14.797 -10.820 4.519
28 HE ARG 36 HE ARG 36 17.249 -9.436 3.475
29 1HH1 ARG 36 1HH1 ARG 36 17.402 -11.902 5.278
30 2HH1 ARG 36 2HH1 ARG 36 17.619 -13.156 4.103
31 1HH2 ARG 36 1HH2 ARG 36 16.622 -11.187 1.428
32 2HH2 ARG 36 2HH2 ARG 36 17.177 -12.752 1.924
33 H ILE 37 H ILE 37 14.201 -4.920 3.838
34 HA ILE 37 HA ILE 37 11.656 -5.719 4.963
35 HB ILE 37 HB ILE 37 11.909 -3.694 6.219
36 1HG1 ILE 37 1HG1 ILE 37 13.865 -2.764 4.095
37 2HG1 ILE 37 2HG1 ILE 37 12.190 -2.223 4.215
38 1HG2 ILE 37 1HG2 ILE 37 14.024 -4.020 7.142
39 2HG2 ILE 37 2HG2 ILE 37 14.784 -4.258 5.568
40 3HG2 ILE 37 3HG2 ILE 37 13.798 -5.538 6.272
41 1HD1 ILE 37 1HD1 ILE 37 14.302 -1.905 6.371
42 2HD1 ILE 37 2HD1 ILE 37 12.629 -1.360 6.486
43 3HD1 ILE 37 3HD1 ILE 37 13.719 -0.621 5.312
44 H TRP 38 H TRP 38 12.538 -4.090 2.068
45 HA TRP 38 HA TRP 38 10.391 -2.269 1.711
46 1HB TRP 38 2HB TRP 38 12.301 -2.265 0.263
47 2HB TRP 38 1HB TRP 38 12.058 -3.957 -0.166
48 HD1 TRP 38 HD TRP 38 11.754 -3.524 -2.727
49 HE1 TRP 38 1HE TRP 38 9.860 -2.472 -4.123
50 HE3 TRP 38 3HE TRP 38 9.055 -1.266 0.986
51 HZ2 TRP 38 2HZ TRP 38 7.518 -0.887 -3.722
52 HZ3 TRP 38 3HZ TRP 38 7.004 0.007 0.445
53 HH2 TRP 38 HH TRP 38 6.230 0.199 -1.902
54 H LEU 39 H LEU 39 10.502 -5.774 1.443
55 HA LEU 39 HA LEU 39 8.040 -6.065 -0.060
56 1HB LEU 39 2HB LEU 39 9.873 -7.752 0.122
57 2HB LEU 39 1HB LEU 39 9.473 -7.966 1.827
58 HG LEU 39 HG LEU 39 7.290 -8.820 1.288
59 1HD1 LEU 39 1HD2 LEU 39 7.955 -7.843 -1.494
60 2HD1 LEU 39 2HD2 LEU 39 6.579 -7.400 -0.484
61 3HD1 LEU 39 3HD2 LEU 39 6.666 -9.011 -1.199
62 1HD2 LEU 39 1HD1 LEU 39 7.857 -10.747 -0.207
63 2HD2 LEU 39 2HD1 LEU 39 9.059 -10.479 1.055
64 3HD2 LEU 39 3HD1 LEU 39 9.382 -9.950 -0.597
65 H HIS 40 H HIS 40 8.854 -5.706 3.340
66 HA HIS 40 HA HIS 40 6.366 -6.610 4.465
67 1HB HIS 40 2HB HIS 40 8.452 -4.609 5.400
68 2HB HIS 40 1HB HIS 40 7.205 -5.310 6.432
69 HD1 HIS 40 1HD HIS 40 7.532 -8.180 4.860
70 HD2 HIS 40 2HD HIS 40 10.470 -6.033 6.896
71 HE1 HIS 40 1HE HIS 40 9.325 -9.849 5.501
72 H ASN 41 H ASN 41 7.502 -3.432 3.327
73 HA ASN 41 HA ASN 41 5.335 -1.834 4.232
74 1HB ASN 41 2HB ASN 41 7.126 -1.705 1.787
75 2HB ASN 41 1HB ASN 41 6.070 -0.385 2.289
76 1HD2 ASN 41 1HD2 ASN 41 8.798 0.158 2.269
77 2HD2 ASN 41 2HD2 ASN 41 9.397 0.230 3.855
78 H LEU 42 H LEU 42 5.726 -3.672 1.194
79 HA LEU 42 HA LEU 42 3.389 -2.889 -0.159
80 1HB LEU 42 2HB LEU 42 5.245 -4.341 -0.983
81 2HB LEU 42 1HB LEU 42 4.637 -5.649 0.032
82 HG LEU 42 HG LEU 42 2.405 -5.368 -1.176
83 1HD1 LEU 42 1HD1 LEU 42 2.406 -4.202 -3.292
84 2HD1 LEU 42 2HD1 LEU 42 4.136 -3.882 -3.172
85 3HD1 LEU 42 3HD1 LEU 42 3.013 -3.084 -2.070
86 1HD2 LEU 42 1HD2 LEU 42 4.917 -6.545 -2.137
87 2HD2 LEU 42 2HD2 LEU 42 3.747 -6.259 -3.425
88 3HD2 LEU 42 3HD2 LEU 42 3.307 -7.260 -2.041
89 H GLY 43 H GLY 43 3.777 -5.270 2.454
90 1HA GLY 43 1HA GLY 43 1.133 -6.358 2.323
91 2HA GLY 43 2HA GLY 43 2.173 -6.395 3.747
92 H GLN 44 H GLN 44 2.422 -3.410 3.705
93 HA GLN 44 HA GLN 44 0.182 -2.806 5.426
94 1HB GLN 44 2HB GLN 44 2.335 -1.138 4.094
95 2HB GLN 44 1HB GLN 44 1.236 -0.517 5.327
96 1HG GLN 44 2HG GLN 44 3.202 -2.805 5.647
97 2HG GLN 44 1HG GLN 44 3.315 -1.213 6.396
98 1HE2 GLN 44 1HE2 GLN 44 2.594 -4.272 7.248
99 2HE2 GLN 44 2HE2 GLN 44 1.382 -4.003 8.405
100 H HIS 45 H HIS 45 0.848 -2.304 2.003
101 HA HIS 45 HA HIS 45 -1.226 -0.344 1.529
102 1HB HIS 45 2HB HIS 45 0.213 -2.357 -0.231
103 2HB HIS 45 1HB HIS 45 -0.832 -1.078 -0.852
104 HD1 HIS 45 1HD HIS 45 2.469 -1.630 0.875
105 HD2 HIS 45 2HD HIS 45 0.283 1.530 -0.742
106 HE1 HIS 45 1HE HIS 45 4.033 0.361 0.807
107 H ILE 46 H ILE 46 -1.085 -3.883 0.939
108 HA ILE 46 HA ILE 46 -3.837 -4.132 0.148
109 HB ILE 46 HB ILE 46 -3.388 -6.496 0.379
110 1HG1 ILE 46 2HG1 ILE 46 -0.940 -5.787 2.015
111 2HG1 ILE 46 1HG1 ILE 46 -2.484 -6.233 2.743
112 1HG2 ILE 46 1HG2 ILE 46 -0.653 -6.128 -0.240
113 2HG2 ILE 46 2HG2 ILE 46 -1.483 -4.678 -0.807
114 3HG2 ILE 46 3HG2 ILE 46 -1.996 -6.268 -1.375
115 1HD1 ILE 46 1HD1 ILE 46 -1.601 -8.074 0.625
116 2HD1 ILE 46 2HD1 ILE 46 -2.218 -8.430 2.238
117 3HD1 ILE 46 3HD1 ILE 46 -0.517 -8.020 2.015
118 H TYR 47 H TYR 47 -2.217 -3.953 3.246
119 HA TYR 47 HA TYR 47 -4.156 -5.087 4.972
120 1HB TYR 47 2HB TYR 47 -1.821 -4.272 5.486
121 2HB TYR 47 1HB TYR 47 -2.443 -2.623 5.417
122 HD1 TYR 47 1HD TYR 47 -3.850 -1.730 7.171
123 HD2 TYR 47 2HD TYR 47 -2.567 -5.829 7.253
124 HE1 TYR 47 1HE TYR 47 -4.611 -1.921 9.524
125 HE2 TYR 47 2HE TYR 47 -3.328 -6.020 9.606
126 HH TYR 47 HH TYR 47 -5.395 -3.971 11.041
127 H GLU 48 H GLU 48 -3.836 -1.739 3.805
128 HA GLU 48 HA GLU 48 -6.102 -0.623 5.107
129 1HB GLU 48 2HB GLU 48 -4.116 0.364 3.682
130 2HB GLU 48 1HB GLU 48 -5.230 0.151 2.331
131 1HG GLU 48 1HG GLU 48 -6.952 1.416 3.740
132 2HG GLU 48 2HG GLU 48 -5.615 1.842 4.809
133 H THR 49 H THR 49 -5.779 -2.447 2.090
134 HA THR 49 HA THR 49 -8.337 -2.006 0.954
135 HB THR 49 HB THR 49 -6.672 -4.546 1.027
136 HG1 THR 49 1HG THR 49 -5.526 -3.655 -0.594
137 1HG2 THR 49 1HG2 THR 49 -7.687 -4.933 -1.201
138 2HG2 THR 49 2HG2 THR 49 -8.677 -3.490 -0.984
139 3HG2 THR 49 3HG2 THR 49 -8.902 -4.883 0.076
140 H TYR 50 H TYR 50 -7.308 -4.155 3.573
141 HA TYR 50 HA TYR 50 -9.780 -5.646 3.783
142 1HB TYR 50 1HB TYR 50 -7.502 -5.030 5.689
143 2HB TYR 50 2HB TYR 50 -8.786 -6.182 6.053
144 HD1 TYR 50 1HD TYR 50 -9.067 -8.233 4.658
145 HD2 TYR 50 2HD TYR 50 -5.754 -5.552 4.137
146 HE1 TYR 50 1HE TYR 50 -7.857 -9.977 3.374
147 HE2 TYR 50 2HE TYR 50 -4.543 -7.294 2.852
148 HH TYR 50 HH TYR 50 -5.905 -10.553 2.446
149 H GLY 51 H GLY 51 -8.473 -2.803 5.515
150 1HA GLY 51 1HA GLY 51 -10.370 -1.063 5.886
151 2HA GLY 51 2HA GLY 51 -11.178 -2.393 6.714
152 1HN NH2 52 1H GLY 51 -11.075 -1.018 8.714
153 2HN NH2 52 2H GLY 51 -9.626 -0.941 9.596
Start of MODEL 10
1 1H ACE 33 1H ACE 33 21.495 -2.242 4.778
2 2H ACE 33 2H ACE 33 20.005 -1.320 4.570
3 3H ACE 33 3H ACE 33 20.831 -1.992 3.164
4 H PHE 34 H PHE 34 18.071 -2.432 4.524
5 HA PHE 34 HA PHE 34 18.217 -5.429 4.493
6 1HB PHE 34 2HB PHE 34 16.553 -3.565 6.216
7 2HB PHE 34 1HB PHE 34 16.433 -5.324 6.234
8 HD1 PHE 34 1HD PHE 34 18.971 -2.581 6.569
9 HD2 PHE 34 2HD PHE 34 17.772 -6.546 7.711
10 HE1 PHE 34 1HE PHE 34 20.869 -2.696 8.163
11 HE2 PHE 34 2HE PHE 34 19.669 -6.660 9.305
12 HZ PHE 34 HZ PHE 34 21.217 -4.735 9.530
13 HA PRO 35 HA PRO 35 15.308 -3.592 1.284
14 1HB PRO 35 2HB PRO 35 15.914 -5.453 -0.629
15 2HB PRO 35 1HB PRO 35 16.798 -3.925 -0.448
16 1HG PRO 35 2HG PRO 35 17.525 -6.664 0.475
17 2HG PRO 35 1HG PRO 35 18.549 -5.401 -0.224
18 1HD PRO 35 2HD PRO 35 18.446 -5.944 2.443
19 2HD PRO 35 1HD PRO 35 18.828 -4.339 1.787
20 H ARG 36 H ARG 36 15.891 -6.614 2.862
21 HA ARG 36 HA ARG 36 13.773 -8.213 1.818
22 1HB ARG 36 2HB ARG 36 15.051 -8.056 4.564
23 2HB ARG 36 1HB ARG 36 14.051 -9.397 4.004
24 1HG ARG 36 2HG ARG 36 15.638 -9.750 2.116
25 2HG ARG 36 1HG ARG 36 16.658 -8.465 2.765
26 1HD ARG 36 2HD ARG 36 15.918 -11.038 4.210
27 2HD ARG 36 1HD ARG 36 17.508 -10.642 3.529
28 HE ARG 36 HE ARG 36 16.900 -8.471 5.161
29 1HH1 ARG 36 1HH2 ARG 36 15.510 -11.016 6.467
30 2HH1 ARG 36 2HH2 ARG 36 16.662 -11.333 7.721
31 1HH2 ARG 36 1HH1 ARG 36 19.087 -9.247 6.381
32 2HH2 ARG 36 2HH1 ARG 36 18.688 -10.332 7.672
33 H ILE 37 H ILE 37 13.800 -5.706 4.325
34 HA ILE 37 HA ILE 37 11.108 -6.234 5.268
35 HB ILE 37 HB ILE 37 11.478 -4.294 6.593
36 1HG1 ILE 37 1HG1 ILE 37 13.604 -3.430 4.612
37 2HG1 ILE 37 2HG1 ILE 37 11.958 -2.801 4.632
38 1HG2 ILE 37 1HG2 ILE 37 13.201 -6.245 6.753
39 2HG2 ILE 37 2HG2 ILE 37 13.565 -4.728 7.576
40 3HG2 ILE 37 3HG2 ILE 37 14.325 -5.096 6.029
41 1HD1 ILE 37 1HD1 ILE 37 14.193 -2.330 6.551
42 2HD1 ILE 37 2HD1 ILE 37 12.562 -2.417 7.216
43 3HD1 ILE 37 3HD1 ILE 37 12.948 -1.219 5.981
44 H TRP 38 H TRP 38 12.341 -4.762 2.432
45 HA TRP 38 HA TRP 38 10.462 -2.700 1.927
46 1HB TRP 38 2HB TRP 38 12.416 -2.981 0.565
47 2HB TRP 38 1HB TRP 38 11.971 -4.638 0.159
48 HD1 TRP 38 HD TRP 38 11.829 -4.225 -2.422
49 HE1 TRP 38 1HE TRP 38 10.145 -2.972 -3.914
50 HE3 TRP 38 3HE TRP 38 9.291 -1.563 1.134
51 HZ2 TRP 38 2HZ TRP 38 8.011 -1.092 -3.643
52 HZ3 TRP 38 3HZ TRP 38 7.445 -0.050 0.485
53 HH2 TRP 38 HH TRP 38 6.800 0.189 -1.897
54 H LEU 39 H LEU 39 10.170 -6.207 1.638
55 HA LEU 39 HA LEU 39 7.736 -6.213 0.080
56 1HB LEU 39 2HB LEU 39 9.337 -8.110 0.343
57 2HB LEU 39 1HB LEU 39 8.860 -8.247 2.034
58 HG LEU 39 HG LEU 39 6.627 -8.875 1.452
59 1HD1 LEU 39 1HD2 LEU 39 7.411 -7.815 -1.252
60 2HD1 LEU 39 2HD2 LEU 39 5.978 -7.451 -0.290
61 3HD1 LEU 39 3HD2 LEU 39 6.113 -9.002 -1.118
62 1HD2 LEU 39 1HD1 LEU 39 7.780 -10.402 -0.759
63 2HD2 LEU 39 2HD1 LEU 39 7.181 -10.969 0.800
64 3HD2 LEU 39 3HD1 LEU 39 8.835 -10.372 0.654
65 H HIS 40 H HIS 40 8.471 -5.960 3.515
66 HA HIS 40 HA HIS 40 5.870 -6.512 4.572
67 1HB HIS 40 2HB HIS 40 8.168 -4.746 5.471
68 2HB HIS 40 1HB HIS 40 6.780 -5.129 6.490
69 HD1 HIS 40 1HD HIS 40 9.702 -6.065 7.177
70 HD2 HIS 40 2HD HIS 40 6.850 -8.403 5.233
71 HE1 HIS 40 1HE HIS 40 10.375 -8.478 7.556
72 H ASN 41 H ASN 41 7.426 -3.453 3.571
73 HA ASN 41 HA ASN 41 5.370 -1.634 4.198
74 1HB ASN 41 2HB ASN 41 7.760 -1.373 3.171
75 2HB ASN 41 1HB ASN 41 6.938 -1.539 1.620
76 1HD2 ASN 41 1HD2 ASN 41 8.155 0.908 2.106
77 2HD2 ASN 41 2HD2 ASN 41 6.988 2.096 2.433
78 H LEU 42 H LEU 42 5.821 -3.526 1.196
79 HA LEU 42 HA LEU 42 3.543 -2.650 -0.231
80 1HB LEU 42 2HB LEU 42 5.433 -4.093 -1.028
81 2HB LEU 42 1HB LEU 42 4.759 -5.429 -0.095
82 HG LEU 42 HG LEU 42 2.595 -5.081 -1.394
83 1HD1 LEU 42 1HD1 LEU 42 2.587 -3.731 -3.332
84 2HD1 LEU 42 2HD1 LEU 42 4.346 -3.616 -3.365
85 3HD1 LEU 42 3HD1 LEU 42 3.429 -2.738 -2.142
86 1HD2 LEU 42 1HD2 LEU 42 3.770 -6.009 -3.585
87 2HD2 LEU 42 2HD2 LEU 42 3.750 -6.967 -2.103
88 3HD2 LEU 42 3HD2 LEU 42 5.189 -6.047 -2.540
89 H GLY 43 H GLY 43 3.858 -5.103 2.317
90 1HA GLY 43 1HA GLY 43 1.216 -6.186 2.101
91 2HA GLY 43 2HA GLY 43 2.224 -6.257 3.547
92 H GLN 44 H GLN 44 2.502 -3.307 3.650
93 HA GLN 44 HA GLN 44 0.260 -2.697 5.331
94 1HB GLN 44 2HB GLN 44 2.302 -0.945 3.923
95 2HB GLN 44 1HB GLN 44 1.271 -0.417 5.253
96 1HG GLN 44 2HG GLN 44 2.260 -2.107 6.725
97 2HG GLN 44 1HG GLN 44 3.239 -2.723 5.394
98 1HE2 GLN 44 1HE2 GLN 44 4.453 -1.712 7.783
99 2HE2 GLN 44 2HE2 GLN 44 5.284 -0.283 7.399
100 H HIS 45 H HIS 45 0.869 -2.247 1.899
101 HA HIS 45 HA HIS 45 -1.245 -0.335 1.401
102 1HB HIS 45 2HB HIS 45 0.190 -2.362 -0.348
103 2HB HIS 45 1HB HIS 45 -0.831 -1.062 -0.962
104 HD1 HIS 45 1HD HIS 45 2.417 -1.637 0.897
105 HD2 HIS 45 2HD HIS 45 0.384 1.472 -0.997
106 HE1 HIS 45 1HE HIS 45 4.035 0.309 0.775
107 H ILE 46 H ILE 46 -1.029 -3.890 0.993
108 HA ILE 46 HA ILE 46 -3.791 -4.191 0.179
109 HB ILE 46 HB ILE 46 -3.268 -6.535 0.311
110 1HG1 ILE 46 2HG1 ILE 46 -0.835 -5.854 1.977
111 2HG1 ILE 46 1HG1 ILE 46 -2.373 -6.331 2.694
112 1HG2 ILE 46 1HG2 ILE 46 -1.493 -6.580 -1.156
113 2HG2 ILE 46 2HG2 ILE 46 -0.509 -5.504 -0.163
114 3HG2 ILE 46 3HG2 ILE 46 -1.801 -4.844 -1.167
115 1HD1 ILE 46 1HD1 ILE 46 -0.507 -7.952 0.976
116 2HD1 ILE 46 2HD1 ILE 46 -2.221 -8.361 1.052
117 3HD1 ILE 46 3HD1 ILE 46 -1.244 -8.379 2.520
118 H TYR 47 H TYR 47 -2.115 -4.119 3.274
119 HA TYR 47 HA TYR 47 -4.083 -5.319 4.940
120 1HB TYR 47 2HB TYR 47 -1.761 -4.718 5.574
121 2HB TYR 47 1HB TYR 47 -2.188 -3.009 5.478
122 HD1 TYR 47 1HD TYR 47 -3.640 -1.972 7.147
123 HD2 TYR 47 2HD TYR 47 -2.629 -6.141 7.368
124 HE1 TYR 47 1HE TYR 47 -4.498 -2.058 9.473
125 HE2 TYR 47 2HE TYR 47 -3.487 -6.226 9.693
126 HH TYR 47 HH TYR 47 -5.295 -3.622 11.080
127 H GLU 48 H GLU 48 -3.745 -1.991 3.755
128 HA GLU 48 HA GLU 48 -5.927 -0.878 5.277
129 1HB GLU 48 2HB GLU 48 -4.574 -0.096 2.673
130 2HB GLU 48 1HB GLU 48 -5.689 0.945 3.559
131 1HG GLU 48 2HG GLU 48 -4.204 0.859 5.530
132 2HG GLU 48 1HG GLU 48 -3.090 -0.183 4.645
133 H THR 49 H THR 49 -5.680 -2.554 2.186
134 HA THR 49 HA THR 49 -8.223 -1.904 1.080
135 HB THR 49 HB THR 49 -6.636 -4.490 0.936
136 HG1 THR 49 1HG THR 49 -6.037 -3.178 -1.113
137 1HG2 THR 49 1HG2 THR 49 -8.956 -3.367 -0.535
138 2HG2 THR 49 2HG2 THR 49 -8.504 -5.049 -0.258
139 3HG2 THR 49 3HG2 THR 49 -7.702 -4.117 -1.522
140 H TYR 50 H TYR 50 -7.241 -4.407 3.408
141 HA TYR 50 HA TYR 50 -9.762 -5.782 3.543
142 1HB TYR 50 2HB TYR 50 -7.475 -5.410 5.505
143 2HB TYR 50 1HB TYR 50 -8.776 -6.578 5.723
144 HD1 TYR 50 1HD TYR 50 -5.639 -5.870 4.076
145 HD2 TYR 50 2HD TYR 50 -9.131 -8.366 3.949
146 HE1 TYR 50 1HE TYR 50 -4.435 -7.478 2.623
147 HE2 TYR 50 2HE TYR 50 -7.927 -9.975 2.494
148 HH TYR 50 HH TYR 50 -5.839 -10.588 1.766
149 H GLY 51 H GLY 51 -8.367 -3.102 5.444
150 1HA GLY 51 2HA GLY 51 -10.241 -2.769 7.452
151 2HA GLY 51 1HA GLY 51 -9.496 -1.399 6.629
152 1HN NH2 52 1H GLY 51 -12.433 -2.149 7.546
153 2HN NH2 52 2H GLY 51 -13.360 -1.717 6.190
Start of MODEL 11
1 1H ACE 33 1H ACE 33 20.494 -1.061 3.770
2 2H ACE 33 2H ACE 33 21.700 -1.830 4.802
3 3H ACE 33 3H ACE 33 20.129 -1.381 5.465
4 H PHE 34 H PHE 34 18.284 -2.671 4.899
5 HA PHE 34 HA PHE 34 18.941 -5.280 3.573
6 1HB PHE 34 2HB PHE 34 18.483 -4.835 6.255
7 2HB PHE 34 1HB PHE 34 16.879 -5.288 5.675
8 HD1 PHE 34 1HD PHE 34 20.282 -6.367 4.545
9 HD2 PHE 34 2HD PHE 34 16.536 -7.528 6.296
10 HE1 PHE 34 1HE PHE 34 20.983 -8.744 4.467
11 HE2 PHE 34 2HE PHE 34 17.237 -9.905 6.219
12 HZ PHE 34 HZ PHE 34 19.460 -10.513 5.305
13 HA PRO 35 HA PRO 35 15.326 -2.955 1.647
14 1HB PRO 35 2HB PRO 35 15.873 -3.858 -0.877
15 2HB PRO 35 1HB PRO 35 16.567 -2.368 -0.212
16 1HG PRO 35 2HG PRO 35 17.777 -5.078 -0.473
17 2HG PRO 35 1HG PRO 35 18.510 -3.488 -0.728
18 1HD PRO 35 2HD PRO 35 18.883 -4.970 1.528
19 2HD PRO 35 1HD PRO 35 18.953 -3.197 1.500
20 H ARG 36 H ARG 36 16.578 -6.197 1.780
21 HA ARG 36 HA ARG 36 14.632 -7.715 0.440
22 1HB ARG 36 2HB ARG 36 16.072 -8.203 3.064
23 2HB ARG 36 1HB ARG 36 15.258 -9.457 2.127
24 1HG ARG 36 2HG ARG 36 16.732 -8.936 0.194
25 2HG ARG 36 1HG ARG 36 17.570 -7.735 1.178
26 1HD ARG 36 2HD ARG 36 18.882 -9.767 1.285
27 2HD ARG 36 1HD ARG 36 18.044 -9.629 2.841
28 HE ARG 36 HE ARG 36 16.446 -11.047 0.869
29 1HH1 ARG 36 1HH2 ARG 36 19.190 -12.397 0.959
30 2HH1 ARG 36 2HH2 ARG 36 18.920 -13.610 2.166
31 1HH2 ARG 36 1HH1 ARG 36 16.017 -12.146 3.369
32 2HH2 ARG 36 2HH1 ARG 36 17.124 -13.467 3.531
33 H ILE 37 H ILE 37 14.478 -6.301 3.699
34 HA ILE 37 HA ILE 37 11.903 -7.485 4.347
35 HB ILE 37 HB ILE 37 12.122 -6.187 6.341
36 1HG1 ILE 37 1HG1 ILE 37 14.163 -4.458 4.919
37 2HG1 ILE 37 2HG1 ILE 37 12.466 -4.014 5.097
38 1HG2 ILE 37 1HG2 ILE 37 14.082 -7.849 5.556
39 2HG2 ILE 37 2HG2 ILE 37 14.142 -6.985 7.092
40 3HG2 ILE 37 3HG2 ILE 37 15.025 -6.364 5.697
41 1HD1 ILE 37 1HD1 ILE 37 14.353 -3.308 6.895
42 2HD1 ILE 37 2HD1 ILE 37 13.876 -4.865 7.573
43 3HD1 ILE 37 3HD1 ILE 37 12.672 -3.598 7.344
44 H TRP 38 H TRP 38 12.722 -5.142 2.125
45 HA TRP 38 HA TRP 38 10.829 -3.057 2.509
46 1HB TRP 38 2HB TRP 38 12.721 -3.125 0.887
47 2HB TRP 38 1HB TRP 38 11.841 -4.324 -0.058
48 HD1 TRP 38 HD TRP 38 11.763 -0.637 0.939
49 HE1 TRP 38 1HE TRP 38 10.174 0.620 -0.655
50 HE3 TRP 38 3HE TRP 38 9.787 -4.584 -1.631
51 HZ2 TRP 38 2HZ TRP 38 8.312 0.030 -2.744
52 HZ3 TRP 38 3HZ TRP 38 8.110 -4.208 -3.415
53 HH2 TRP 38 HH TRP 38 7.370 -1.908 -3.975
54 H LEU 39 H LEU 39 10.474 -6.297 1.118
55 HA LEU 39 HA LEU 39 7.993 -6.073 -0.182
56 1HB LEU 39 2HB LEU 39 9.513 -8.051 -0.099
57 2HB LEU 39 1HB LEU 39 9.009 -8.336 1.567
58 HG LEU 39 HG LEU 39 6.614 -8.426 0.688
59 1HD1 LEU 39 1HD1 LEU 39 7.670 -7.402 -1.589
60 2HD1 LEU 39 2HD1 LEU 39 6.174 -8.334 -1.558
61 3HD1 LEU 39 3HD1 LEU 39 7.692 -9.119 -1.991
62 1HD2 LEU 39 1HD2 LEU 39 6.954 -10.751 -0.286
63 2HD2 LEU 39 2HD2 LEU 39 7.699 -10.483 1.290
64 3HD2 LEU 39 3HD2 LEU 39 8.689 -10.459 -0.168
65 H HIS 40 H HIS 40 8.676 -6.415 3.281
66 HA HIS 40 HA HIS 40 6.048 -6.897 4.230
67 1HB HIS 40 2HB HIS 40 8.405 -5.364 5.371
68 2HB HIS 40 1HB HIS 40 6.987 -5.814 6.318
69 HD1 HIS 40 1HD HIS 40 10.016 -7.260 4.645
70 HD2 HIS 40 2HD HIS 40 6.764 -8.604 6.879
71 HE1 HIS 40 1HE HIS 40 10.527 -9.657 5.283
72 H ASN 41 H ASN 41 7.672 -3.888 3.299
73 HA ASN 41 HA ASN 41 5.870 -1.959 4.278
74 1HB ASN 41 1HB ASN 41 8.105 -1.835 2.928
75 2HB ASN 41 2HB ASN 41 7.059 -1.851 1.510
76 1HD2 ASN 41 1HD2 ASN 41 8.347 0.465 1.603
77 2HD2 ASN 41 2HD2 ASN 41 7.423 1.721 2.276
78 H LEU 42 H LEU 42 5.717 -3.819 1.236
79 HA LEU 42 HA LEU 42 3.416 -2.688 0.070
80 1HB LEU 42 2HB LEU 42 4.293 -5.596 0.191
81 2HB LEU 42 1HB LEU 42 3.223 -4.900 -1.026
82 HG LEU 42 HG LEU 42 6.129 -4.184 -0.542
83 1HD1 LEU 42 1HD1 LEU 42 5.544 -4.849 -3.236
84 2HD1 LEU 42 2HD1 LEU 42 4.773 -6.078 -2.234
85 3HD1 LEU 42 3HD1 LEU 42 6.504 -5.779 -2.085
86 1HD2 LEU 42 1HD2 LEU 42 3.938 -2.683 -1.753
87 2HD2 LEU 42 2HD2 LEU 42 5.249 -2.973 -2.896
88 3HD2 LEU 42 3HD2 LEU 42 5.575 -2.155 -1.368
89 H GLY 43 H GLY 43 3.675 -5.138 2.630
90 1HA GLY 43 1HA GLY 43 0.993 -5.958 2.804
91 2HA GLY 43 2HA GLY 43 2.082 -5.875 4.187
92 H GLN 44 H GLN 44 2.339 -2.851 3.463
93 HA GLN 44 HA GLN 44 0.320 -1.944 5.341
94 1HB GLN 44 2HB GLN 44 2.617 -1.011 5.072
95 2HB GLN 44 1HB GLN 44 2.163 -0.426 3.471
96 1HG GLN 44 2HG GLN 44 0.371 0.942 4.482
97 2HG GLN 44 1HG GLN 44 0.835 0.363 6.082
98 1HE2 GLN 44 1HE2 GLN 44 0.964 3.101 5.710
99 2HE2 GLN 44 2HE2 GLN 44 2.577 3.611 5.577
100 H HIS 45 H HIS 45 0.706 -1.800 1.815
101 HA HIS 45 HA HIS 45 -1.627 -0.094 1.423
102 1HB HIS 45 2HB HIS 45 -0.976 -0.188 -0.822
103 2HB HIS 45 1HB HIS 45 0.549 -0.530 -0.008
104 HD1 HIS 45 1HD HIS 45 1.683 -2.670 -0.627
105 HD2 HIS 45 2HD HIS 45 -2.348 -2.698 -1.685
106 HE1 HIS 45 1HE HIS 45 1.299 -4.811 -1.924
107 H ILE 46 H ILE 46 -0.952 -3.578 1.009
108 HA ILE 46 HA ILE 46 -3.578 -4.301 0.090
109 HB ILE 46 HB ILE 46 -1.517 -5.655 -0.160
110 1HG1 ILE 46 2HG1 ILE 46 -3.407 -7.208 1.606
111 2HG1 ILE 46 1HG1 ILE 46 -3.898 -6.662 0.002
112 1HG2 ILE 46 1HG2 ILE 46 -1.773 -6.176 2.815
113 2HG2 ILE 46 2HG2 ILE 46 -0.623 -5.033 2.123
114 3HG2 ILE 46 3HG2 ILE 46 -0.501 -6.749 1.737
115 1HD1 ILE 46 1HD1 ILE 46 -1.251 -8.006 0.191
116 2HD1 ILE 46 2HD1 ILE 46 -2.479 -8.115 -1.070
117 3HD1 ILE 46 3HD1 ILE 46 -2.668 -9.031 0.425
118 H TYR 47 H TYR 47 -2.091 -4.265 3.337
119 HA TYR 47 HA TYR 47 -4.172 -5.427 4.836
120 1HB TYR 47 2HB TYR 47 -1.909 -4.797 5.636
121 2HB TYR 47 1HB TYR 47 -2.355 -3.096 5.526
122 HD1 TYR 47 1HD TYR 47 -3.829 -2.070 7.150
123 HD2 TYR 47 2HD TYR 47 -2.966 -6.274 7.314
124 HE1 TYR 47 1HE TYR 47 -4.826 -2.186 9.418
125 HE2 TYR 47 2HE TYR 47 -3.961 -6.390 9.582
126 HH TYR 47 HH TYR 47 -5.960 -4.234 10.821
127 H GLU 48 H GLU 48 -3.818 -2.084 3.701
128 HA GLU 48 HA GLU 48 -6.033 -0.950 5.105
129 1HB GLU 48 2HB GLU 48 -4.601 -0.322 2.512
130 2HB GLU 48 1HB GLU 48 -5.844 0.732 3.185
131 1HG GLU 48 2HG GLU 48 -4.530 0.871 5.301
132 2HG GLU 48 1HG GLU 48 -3.263 -0.098 4.548
133 H THR 49 H THR 49 -5.819 -2.755 2.067
134 HA THR 49 HA THR 49 -8.387 -2.162 0.988
135 HB THR 49 HB THR 49 -6.753 -4.721 0.908
136 HG1 THR 49 1HG THR 49 -5.966 -2.443 0.215
137 1HG2 THR 49 1HG2 THR 49 -8.777 -5.316 -0.071
138 2HG2 THR 49 2HG2 THR 49 -7.893 -4.696 -1.465
139 3HG2 THR 49 3HG2 THR 49 -9.090 -3.682 -0.659
140 H TYR 50 H TYR 50 -7.365 -4.482 3.467
141 HA TYR 50 HA TYR 50 -9.899 -5.879 3.644
142 1HB TYR 50 1HB TYR 50 -7.470 -5.558 5.425
143 2HB TYR 50 2HB TYR 50 -8.825 -6.602 5.856
144 HD1 TYR 50 1HD TYR 50 -5.878 -6.207 3.762
145 HD2 TYR 50 2HD TYR 50 -9.451 -8.517 4.354
146 HE1 TYR 50 1HE TYR 50 -4.962 -7.996 2.311
147 HE2 TYR 50 2HE TYR 50 -8.534 -10.306 2.902
148 HH TYR 50 HH TYR 50 -5.902 -9.859 0.877
149 H GLY 51 H GLY 51 -8.413 -3.178 5.438
150 1HA GLY 51 1HA GLY 51 -9.464 -1.478 6.688
151 2HA GLY 51 2HA GLY 51 -11.018 -2.102 6.137
152 1HN NH2 52 1H GLY 51 -12.069 -3.745 7.448
153 2HN NH2 52 2H GLY 51 -11.531 -4.119 9.014
Start of MODEL 12
1 1H ACE 33 1H ACE 33 21.708 -4.218 4.775
2 2H ACE 33 2H ACE 33 22.277 -4.316 3.109
3 3H ACE 33 3H ACE 33 22.135 -5.781 4.079
4 H PHE 34 H PHE 34 20.362 -6.968 3.571
5 HA PHE 34 HA PHE 34 17.896 -5.511 2.669
6 1HB PHE 34 2HB PHE 34 19.220 -6.728 0.897
7 2HB PHE 34 1HB PHE 34 18.924 -8.226 1.779
8 HD1 PHE 34 1HD PHE 34 17.150 -5.317 0.233
9 HD2 PHE 34 2HD PHE 34 16.941 -9.439 1.422
10 HE1 PHE 34 1HE PHE 34 14.929 -5.517 -0.853
11 HE2 PHE 34 2HE PHE 34 14.721 -9.640 0.336
12 HZ PHE 34 HZ PHE 34 13.715 -7.679 -0.802
13 HA PRO 35 HA PRO 35 16.882 -8.023 6.366
14 1HB PRO 35 2HB PRO 35 15.041 -6.245 7.350
15 2HB PRO 35 1HB PRO 35 16.777 -6.155 7.721
16 1HG PRO 35 2HG PRO 35 15.159 -4.620 5.745
17 2HG PRO 35 1HG PRO 35 16.461 -4.064 6.804
18 1HD PRO 35 2HD PRO 35 16.818 -4.576 4.165
19 2HD PRO 35 1HD PRO 35 18.103 -4.786 5.372
20 H ARG 36 H ARG 36 15.338 -7.033 3.557
21 HA ARG 36 HA ARG 36 13.477 -7.981 2.431
22 1HB ARG 36 2HB ARG 36 14.295 -9.953 3.958
23 2HB ARG 36 1HB ARG 36 12.881 -9.549 4.931
24 1HG ARG 36 2HG ARG 36 11.431 -9.826 2.964
25 2HG ARG 36 1HG ARG 36 12.838 -10.192 1.965
26 1HD ARG 36 2HD ARG 36 11.736 -12.287 2.675
27 2HD ARG 36 1HD ARG 36 13.324 -12.155 3.455
28 HE ARG 36 HE ARG 36 11.573 -10.854 5.193
29 1HH1 ARG 36 1HH1 ARG 36 12.440 -13.986 4.160
30 2HH1 ARG 36 2HH1 ARG 36 11.397 -14.805 5.274
31 1HH2 ARG 36 1HH2 ARG 36 9.940 -11.892 6.463
32 2HH2 ARG 36 2HH2 ARG 36 9.980 -13.619 6.577
33 H ILE 37 H ILE 37 13.421 -6.100 5.179
34 HA ILE 37 HA ILE 37 10.694 -6.047 5.989
35 HB ILE 37 HB ILE 37 11.306 -3.874 6.889
36 1HG1 ILE 37 1HG1 ILE 37 13.640 -3.995 4.947
37 2HG1 ILE 37 2HG1 ILE 37 12.237 -2.936 4.803
38 1HG2 ILE 37 1HG2 ILE 37 13.944 -4.663 7.349
39 2HG2 ILE 37 2HG2 ILE 37 13.095 -6.175 7.026
40 3HG2 ILE 37 3HG2 ILE 37 12.542 -5.112 8.319
41 1HD1 ILE 37 1HD1 ILE 37 14.119 -1.719 5.812
42 2HD1 ILE 37 2HD1 ILE 37 14.235 -2.932 7.087
43 3HD1 ILE 37 3HD1 ILE 37 12.810 -1.897 6.981
44 H TRP 38 H TRP 38 12.407 -4.543 3.305
45 HA TRP 38 HA TRP 38 10.616 -2.646 2.343
46 1HB TRP 38 2HB TRP 38 12.864 -3.526 1.429
47 2HB TRP 38 1HB TRP 38 11.905 -4.742 0.583
48 HD1 TRP 38 HD TRP 38 12.386 -0.940 0.806
49 HE1 TRP 38 1HE TRP 38 11.519 0.123 -1.377
50 HE3 TRP 38 3HE TRP 38 10.388 -5.063 -1.449
51 HZ2 TRP 38 2HZ TRP 38 10.156 -0.672 -3.765
52 HZ3 TRP 38 3HZ TRP 38 9.312 -4.882 -3.676
53 HH2 TRP 38 HH TRP 38 9.195 -2.694 -4.835
54 H LEU 39 H LEU 39 10.455 -6.178 1.781
55 HA LEU 39 HA LEU 39 8.115 -6.210 0.168
56 1HB LEU 39 2HB LEU 39 9.193 -8.192 2.199
57 2HB LEU 39 1HB LEU 39 8.010 -8.576 0.947
58 HG LEU 39 HG LEU 39 10.827 -7.549 0.474
59 1HD1 LEU 39 1HD1 LEU 39 9.799 -10.173 0.941
60 2HD1 LEU 39 2HD1 LEU 39 11.441 -9.715 0.488
61 3HD1 LEU 39 3HD1 LEU 39 10.246 -10.065 -0.762
62 1HD2 LEU 39 1HD2 LEU 39 10.166 -8.213 -1.936
63 2HD2 LEU 39 2HD2 LEU 39 9.500 -6.709 -1.300
64 3HD2 LEU 39 3HD2 LEU 39 8.502 -8.162 -1.353
65 H HIS 40 H HIS 40 8.530 -6.046 3.672
66 HA HIS 40 HA HIS 40 5.824 -6.605 4.434
67 1HB HIS 40 2HB HIS 40 7.762 -6.610 5.952
68 2HB HIS 40 1HB HIS 40 7.984 -4.880 5.694
69 HD1 HIS 40 1HD HIS 40 6.687 -3.342 7.194
70 HD2 HIS 40 2HD HIS 40 5.168 -7.224 7.260
71 HE1 HIS 40 1HE HIS 40 4.887 -3.378 8.976
72 H ASN 41 H ASN 41 7.484 -3.600 3.516
73 HA ASN 41 HA ASN 41 5.524 -1.694 4.192
74 1HB ASN 41 2HB ASN 41 7.427 -1.928 1.841
75 2HB ASN 41 1HB ASN 41 6.555 -0.449 2.241
76 1HD2 ASN 41 1HD2 ASN 41 9.404 -0.500 2.331
77 2HD2 ASN 41 2HD2 ASN 41 9.902 -0.367 3.948
78 H LEU 42 H LEU 42 5.789 -3.679 1.232
79 HA LEU 42 HA LEU 42 3.545 -2.592 -0.156
80 1HB LEU 42 2HB LEU 42 4.698 -5.402 -0.155
81 2HB LEU 42 1HB LEU 42 3.721 -4.690 -1.439
82 HG LEU 42 HG LEU 42 6.445 -3.728 -0.509
83 1HD1 LEU 42 1HD1 LEU 42 6.936 -4.265 -2.986
84 2HD1 LEU 42 2HD1 LEU 42 5.433 -5.186 -2.951
85 3HD1 LEU 42 3HD1 LEU 42 6.764 -5.631 -1.885
86 1HD2 LEU 42 1HD2 LEU 42 4.528 -2.640 -2.590
87 2HD2 LEU 42 2HD2 LEU 42 6.211 -2.137 -2.438
88 3HD2 LEU 42 3HD2 LEU 42 5.074 -1.820 -1.128
89 H GLY 43 H GLY 43 3.796 -5.103 2.327
90 1HA GLY 43 1HA GLY 43 1.158 -6.163 2.088
91 2HA GLY 43 2HA GLY 43 2.138 -6.220 3.553
92 H GLN 44 H GLN 44 2.385 -3.232 3.565
93 HA GLN 44 HA GLN 44 0.132 -2.633 5.242
94 1HB GLN 44 2HB GLN 44 2.422 -1.602 5.294
95 2HB GLN 44 1HB GLN 44 2.030 -0.760 3.794
96 1HG GLN 44 2HG GLN 44 0.107 0.323 4.914
97 2HG GLN 44 1HG GLN 44 0.520 -0.507 6.414
98 1HE2 GLN 44 1HE2 GLN 44 0.528 2.228 6.597
99 2HE2 GLN 44 2HE2 GLN 44 2.112 2.838 6.621
100 H HIS 45 H HIS 45 0.791 -2.094 1.812
101 HA HIS 45 HA HIS 45 -1.399 -0.284 1.305
102 1HB HIS 45 2HB HIS 45 0.181 -2.226 -0.413
103 2HB HIS 45 1HB HIS 45 -0.948 -1.039 -1.067
104 HD1 HIS 45 1HD HIS 45 2.380 -1.325 0.662
105 HD2 HIS 45 2HD HIS 45 -0.037 1.650 -0.976
106 HE1 HIS 45 1HE HIS 45 3.794 0.775 0.565
107 H ILE 46 H ILE 46 -1.047 -3.826 0.920
108 HA ILE 46 HA ILE 46 -3.810 -4.207 0.089
109 HB ILE 46 HB ILE 46 -3.190 -6.541 0.159
110 1HG1 ILE 46 2HG1 ILE 46 -0.723 -5.763 1.733
111 2HG1 ILE 46 1HG1 ILE 46 -2.201 -6.344 2.499
112 1HG2 ILE 46 1HG2 ILE 46 -1.473 -4.527 -0.990
113 2HG2 ILE 46 2HG2 ILE 46 -1.889 -6.117 -1.629
114 3HG2 ILE 46 3HG2 ILE 46 -0.515 -5.937 -0.539
115 1HD1 ILE 46 1HD1 ILE 46 -0.504 -7.828 0.472
116 2HD1 ILE 46 2HD1 ILE 46 -2.068 -8.395 1.056
117 3HD1 ILE 46 3HD1 ILE 46 -0.714 -8.236 2.175
118 H TYR 47 H TYR 47 -2.138 -3.945 3.128
119 HA TYR 47 HA TYR 47 -4.043 -5.350 4.786
120 1HB TYR 47 2HB TYR 47 -1.702 -4.837 5.403
121 2HB TYR 47 1HB TYR 47 -2.073 -3.114 5.376
122 HD1 TYR 47 1HD TYR 47 -3.392 -2.077 7.135
123 HD2 TYR 47 2HD TYR 47 -2.621 -6.302 7.155
124 HE1 TYR 47 1HE TYR 47 -4.184 -2.210 9.481
125 HE2 TYR 47 2HE TYR 47 -3.413 -6.436 9.501
126 HH TYR 47 HH TYR 47 -3.676 -3.912 11.497
127 H GLU 48 H GLU 48 -3.734 -2.012 3.653
128 HA GLU 48 HA GLU 48 -5.772 -0.863 5.331
129 1HB GLU 48 2HB GLU 48 -4.584 -0.156 2.631
130 2HB GLU 48 1HB GLU 48 -5.699 0.902 3.497
131 1HG GLU 48 2HG GLU 48 -4.162 0.974 5.416
132 2HG GLU 48 1HG GLU 48 -3.055 -0.117 4.583
133 H THR 49 H THR 49 -5.821 -2.494 2.187
134 HA THR 49 HA THR 49 -8.471 -1.865 1.367
135 HB THR 49 HB THR 49 -6.895 -4.438 1.020
136 HG1 THR 49 1HG THR 49 -6.703 -1.882 -0.088
137 1HG2 THR 49 1HG2 THR 49 -9.474 -3.788 0.199
138 2HG2 THR 49 2HG2 THR 49 -8.460 -5.060 -0.480
139 3HG2 THR 49 3HG2 THR 49 -8.483 -3.460 -1.222
140 H TYR 50 H TYR 50 -7.234 -4.366 3.564
141 HA TYR 50 HA TYR 50 -9.718 -5.779 3.926
142 1HB TYR 50 1HB TYR 50 -7.209 -5.433 5.596
143 2HB TYR 50 2HB TYR 50 -8.483 -6.584 5.991
144 HD1 TYR 50 1HD TYR 50 -6.000 -7.835 5.667
145 HD2 TYR 50 2HD TYR 50 -8.652 -6.485 2.568
146 HE1 TYR 50 1HE TYR 50 -5.008 -9.480 4.100
147 HE2 TYR 50 2HE TYR 50 -7.660 -8.131 1.003
148 HH TYR 50 HH TYR 50 -6.297 -9.897 0.816
149 H GLY 51 H GLY 51 -8.146 -3.135 5.743
150 1HA GLY 51 1HA GLY 51 -9.221 -1.429 7.000
151 2HA GLY 51 2HA GLY 51 -10.767 -2.228 6.706
152 1HN NH2 52 1H GLY 51 -10.541 -1.469 9.271
153 2HN NH2 52 2H GLY 51 -10.112 -2.753 10.295
Start of MODEL 13
1 1H ACE 33 1H ACE 33 18.959 -8.214 1.217
2 2H ACE 33 2H ACE 33 19.512 -8.639 2.836
3 3H ACE 33 3H ACE 33 20.426 -7.482 1.868
4 H PHE 34 H PHE 34 20.183 -5.496 2.784
5 HA PHE 34 HA PHE 34 18.246 -4.604 4.571
6 1HB PHE 34 2HB PHE 34 20.326 -3.544 2.925
7 2HB PHE 34 1HB PHE 34 18.935 -2.468 2.794
8 HD1 PHE 34 1HD PHE 34 21.173 -4.185 5.231
9 HD2 PHE 34 2HD PHE 34 18.304 -1.053 4.596
10 HE1 PHE 34 1HE PHE 34 21.664 -3.278 7.486
11 HE2 PHE 34 2HE PHE 34 18.795 -0.146 6.852
12 HZ PHE 34 HZ PHE 34 20.475 -1.258 8.296
13 HA PRO 35 HA PRO 35 15.606 -2.941 0.933
14 1HB PRO 35 2HB PRO 35 15.900 -4.173 -1.492
15 2HB PRO 35 1HB PRO 35 16.765 -2.691 -1.042
16 1HG PRO 35 2HG PRO 35 17.708 -5.516 -1.053
17 2HG PRO 35 1HG PRO 35 18.562 -4.041 -1.525
18 1HD PRO 35 2HD PRO 35 18.942 -5.297 0.852
19 2HD PRO 35 1HD PRO 35 19.169 -3.553 0.629
20 H ARG 36 H ARG 36 16.423 -6.151 1.731
21 HA ARG 36 HA ARG 36 14.294 -7.648 0.557
22 1HB ARG 36 2HB ARG 36 16.298 -8.564 1.704
23 2HB ARG 36 1HB ARG 36 15.683 -7.953 3.241
24 1HG ARG 36 1HG ARG 36 15.026 -10.243 3.170
25 2HG ARG 36 2HG ARG 36 13.572 -9.329 2.770
26 1HD ARG 36 2HD ARG 36 14.021 -9.699 0.351
27 2HD ARG 36 1HD ARG 36 15.450 -10.658 0.780
28 HE ARG 36 HE ARG 36 13.466 -11.820 2.293
29 1HH1 ARG 36 1HH2 ARG 36 14.444 -11.701 -0.943
30 2HH1 ARG 36 2HH2 ARG 36 13.117 -12.634 -1.549
31 1HH2 ARG 36 1HH1 ARG 36 11.439 -12.708 1.484
32 2HH2 ARG 36 2HH1 ARG 36 11.415 -13.203 -0.175
33 H ILE 37 H ILE 37 14.400 -5.493 3.337
34 HA ILE 37 HA ILE 37 11.877 -6.313 4.510
35 HB ILE 37 HB ILE 37 12.255 -4.407 5.918
36 1HG1 ILE 37 1HG1 ILE 37 14.189 -3.383 3.818
37 2HG1 ILE 37 2HG1 ILE 37 12.537 -2.799 4.010
38 1HG2 ILE 37 1HG2 ILE 37 15.082 -5.009 5.126
39 2HG2 ILE 37 2HG2 ILE 37 14.071 -6.329 5.715
40 3HG2 ILE 37 3HG2 ILE 37 14.367 -4.921 6.736
41 1HD1 ILE 37 1HD1 ILE 37 13.368 -1.321 5.504
42 2HD1 ILE 37 2HD1 ILE 37 14.919 -2.158 5.572
43 3HD1 ILE 37 3HD1 ILE 37 13.584 -2.694 6.591
44 H TRP 38 H TRP 38 12.599 -4.682 1.637
45 HA TRP 38 HA TRP 38 10.623 -2.635 1.531
46 1HB TRP 38 2HB TRP 38 12.384 -2.751 -0.086
47 2HB TRP 38 1HB TRP 38 11.963 -4.407 -0.521
48 HD1 TRP 38 HD TRP 38 11.457 -3.909 -3.034
49 HE1 TRP 38 1HE TRP 38 9.551 -2.661 -4.236
50 HE3 TRP 38 3HE TRP 38 9.331 -1.487 0.936
51 HZ2 TRP 38 2HZ TRP 38 7.413 -0.875 -3.605
52 HZ3 TRP 38 3HZ TRP 38 7.365 -0.020 0.603
53 HH2 TRP 38 HH TRP 38 6.403 0.288 -1.660
54 H LEU 39 H LEU 39 10.399 -6.125 1.060
55 HA LEU 39 HA LEU 39 7.805 -6.142 -0.200
56 1HB LEU 39 2HB LEU 39 9.292 -8.192 1.475
57 2HB LEU 39 1HB LEU 39 7.897 -8.546 0.456
58 HG LEU 39 HG LEU 39 10.592 -7.493 -0.455
59 1HD1 LEU 39 1HD1 LEU 39 9.749 -9.799 -1.867
60 2HD1 LEU 39 2HD1 LEU 39 9.446 -10.125 -0.162
61 3HD1 LEU 39 3HD1 LEU 39 11.066 -9.682 -0.699
62 1HD2 LEU 39 1HD2 LEU 39 7.931 -7.746 -1.842
63 2HD2 LEU 39 2HD2 LEU 39 9.429 -7.903 -2.760
64 3HD2 LEU 39 3HD2 LEU 39 9.081 -6.409 -1.889
65 H HIS 40 H HIS 40 8.886 -6.111 3.164
66 HA HIS 40 HA HIS 40 6.404 -6.801 4.408
67 1HB HIS 40 2HB HIS 40 8.791 -5.127 5.236
68 2HB HIS 40 1HB HIS 40 7.493 -5.562 6.348
69 HD1 HIS 40 1HD HIS 40 10.207 -7.134 4.226
70 HD2 HIS 40 2HD HIS 40 7.588 -8.206 7.287
71 HE1 HIS 40 1HE HIS 40 10.907 -9.444 4.992
72 H ASN 41 H ASN 41 7.766 -3.658 3.410
73 HA ASN 41 HA ASN 41 5.776 -1.951 4.501
74 1HB ASN 41 2HB ASN 41 8.045 -1.526 3.279
75 2HB ASN 41 1HB ASN 41 7.073 -1.540 1.809
76 1HD2 ASN 41 1HD2 ASN 41 8.218 0.874 2.270
77 2HD2 ASN 41 2HD2 ASN 41 7.110 1.988 2.913
78 H LEU 42 H LEU 42 5.928 -3.518 1.294
79 HA LEU 42 HA LEU 42 3.606 -2.523 0.100
80 1HB LEU 42 2HB LEU 42 5.328 -4.077 -0.853
81 2HB LEU 42 1HB LEU 42 4.610 -5.386 0.086
82 HG LEU 42 HG LEU 42 2.404 -4.829 -1.053
83 1HD1 LEU 42 1HD1 LEU 42 3.278 -2.534 -1.780
84 2HD1 LEU 42 2HD1 LEU 42 2.416 -3.459 -3.010
85 3HD1 LEU 42 3HD1 LEU 42 4.179 -3.387 -3.033
86 1HD2 LEU 42 1HD2 LEU 42 2.867 -6.438 -2.602
87 2HD2 LEU 42 2HD2 LEU 42 4.431 -6.506 -1.790
88 3HD2 LEU 42 3HD2 LEU 42 4.240 -5.547 -3.257
89 H GLY 43 H GLY 43 3.874 -5.224 2.420
90 1HA GLY 43 1HA GLY 43 1.229 -6.148 2.381
91 2HA GLY 43 2HA GLY 43 2.240 -6.162 3.824
92 H GLN 44 H GLN 44 2.440 -3.107 3.537
93 HA GLN 44 HA GLN 44 0.275 -2.478 5.343
94 1HB GLN 44 2HB GLN 44 2.545 -1.432 5.281
95 2HB GLN 44 1HB GLN 44 2.111 -0.662 3.755
96 1HG GLN 44 2HG GLN 44 1.673 0.967 5.448
97 2HG GLN 44 1HG GLN 44 0.097 0.323 4.988
98 1HE2 GLN 44 1HE2 GLN 44 -1.179 -0.190 6.767
99 2HE2 GLN 44 2HE2 GLN 44 -0.593 -0.693 8.279
100 H HIS 45 H HIS 45 0.710 -2.113 1.847
101 HA HIS 45 HA HIS 45 -1.550 -0.318 1.493
102 1HB HIS 45 2HB HIS 45 -0.940 -0.427 -0.754
103 2HB HIS 45 1HB HIS 45 0.570 -0.919 0.008
104 HD1 HIS 45 1HD HIS 45 1.488 -3.147 -0.688
105 HD2 HIS 45 2HD HIS 45 -2.560 -2.780 -1.615
106 HE1 HIS 45 1HE HIS 45 0.866 -5.213 -2.017
107 H ILE 46 H ILE 46 -1.098 -3.834 1.005
108 HA ILE 46 HA ILE 46 -3.760 -4.430 0.171
109 HB ILE 46 HB ILE 46 -1.850 -5.966 -0.012
110 1HG1 ILE 46 2HG1 ILE 46 -3.650 -7.314 1.973
111 2HG1 ILE 46 1HG1 ILE 46 -4.332 -6.740 0.451
112 1HG2 ILE 46 1HG2 ILE 46 -1.986 -6.053 3.019
113 2HG2 ILE 46 2HG2 ILE 46 -0.710 -5.289 2.074
114 3HG2 ILE 46 3HG2 ILE 46 -0.924 -7.036 2.011
115 1HD1 ILE 46 1HD1 ILE 46 -1.815 -8.404 0.506
116 2HD1 ILE 46 2HD1 ILE 46 -2.930 -8.145 -0.836
117 3HD1 ILE 46 3HD1 ILE 46 -3.407 -9.164 0.522
118 H TYR 47 H TYR 47 -2.294 -4.196 3.398
119 HA TYR 47 HA TYR 47 -4.413 -5.172 4.985
120 1HB TYR 47 2HB TYR 47 -2.084 -4.510 5.671
121 2HB TYR 47 1HB TYR 47 -2.577 -2.821 5.539
122 HD1 TYR 47 1HD TYR 47 -3.094 -5.986 7.384
123 HD2 TYR 47 2HD TYR 47 -4.027 -1.800 7.175
124 HE1 TYR 47 1HE TYR 47 -4.059 -6.089 9.666
125 HE2 TYR 47 2HE TYR 47 -4.991 -1.900 9.457
126 HH TYR 47 HH TYR 47 -6.084 -4.079 10.890
127 H GLU 48 H GLU 48 -3.905 -1.940 3.618
128 HA GLU 48 HA GLU 48 -6.056 -0.577 4.883
129 1HB GLU 48 2HB GLU 48 -4.051 0.125 3.298
130 2HB GLU 48 1HB GLU 48 -5.263 -0.067 2.033
131 1HG GLU 48 1HG GLU 48 -6.778 1.438 3.421
132 2HG GLU 48 2HG GLU 48 -5.369 1.783 4.426
133 H THR 49 H THR 49 -5.957 -2.685 2.042
134 HA THR 49 HA THR 49 -8.512 -2.145 0.934
135 HB THR 49 HB THR 49 -7.015 -4.777 1.163
136 HG1 THR 49 1HG THR 49 -6.828 -2.641 -0.692
137 1HG2 THR 49 1HG2 THR 49 -9.495 -4.108 -0.037
138 2HG2 THR 49 2HG2 THR 49 -8.596 -5.617 -0.193
139 3HG2 THR 49 3HG2 THR 49 -8.332 -4.310 -1.347
140 H TYR 50 H TYR 50 -7.560 -4.178 3.680
141 HA TYR 50 HA TYR 50 -10.145 -5.439 4.044
142 1HB TYR 50 1HB TYR 50 -7.746 -4.943 5.832
143 2HB TYR 50 2HB TYR 50 -9.117 -5.941 6.311
144 HD1 TYR 50 1HD TYR 50 -6.083 -5.753 4.325
145 HD2 TYR 50 2HD TYR 50 -9.686 -7.998 4.977
146 HE1 TYR 50 1HE TYR 50 -5.102 -7.678 3.108
147 HE2 TYR 50 2HE TYR 50 -8.707 -9.923 3.759
148 HH TYR 50 HH TYR 50 -6.976 -10.669 2.589
149 H GLY 51 H GLY 51 -8.547 -2.592 5.485
150 1HA GLY 51 1HA GLY 51 -9.517 -0.707 6.514
151 2HA GLY 51 2HA GLY 51 -11.093 -1.301 5.993
152 1HN NH2 52 1H GLY 51 -8.746 -3.066 8.039
153 2HN NH2 52 2H GLY 51 -9.747 -3.137 9.408
Start of MODEL 14
1 1H ACE 33 1H ACE 33 21.258 -0.416 5.617
2 2H ACE 33 2H ACE 33 19.824 0.182 4.784
3 3H ACE 33 3H ACE 33 21.231 -0.340 3.856
4 H PHE 34 H PHE 34 18.220 -1.308 4.974
5 HA PHE 34 HA PHE 34 18.916 -4.185 4.490
6 1HB PHE 34 2HB PHE 34 18.006 -2.903 6.858
7 2HB PHE 34 1HB PHE 34 16.657 -3.861 6.245
8 HD1 PHE 34 1HD PHE 34 17.970 -6.120 4.941
9 HD2 PHE 34 2HD PHE 34 18.960 -4.133 8.618
10 HE1 PHE 34 1HE PHE 34 19.062 -8.188 5.764
11 HE2 PHE 34 2HE PHE 34 20.052 -6.201 9.442
12 HZ PHE 34 HZ PHE 34 20.104 -8.229 8.015
13 HA PRO 35 HA PRO 35 15.566 -2.344 1.682
14 1HB PRO 35 2HB PRO 35 16.354 -3.826 -0.479
15 2HB PRO 35 1HB PRO 35 17.009 -2.217 -0.119
16 1HG PRO 35 2HG PRO 35 18.179 -4.906 0.408
17 2HG PRO 35 1HG PRO 35 18.969 -3.422 -0.143
18 1HD PRO 35 2HD PRO 35 19.071 -4.316 2.429
19 2HD PRO 35 1HD PRO 35 19.187 -2.602 1.984
20 H ARG 36 H ARG 36 16.769 -5.471 2.651
21 HA ARG 36 HA ARG 36 14.943 -7.280 1.552
22 1HB ARG 36 2HB ARG 36 16.905 -7.743 3.034
23 2HB ARG 36 1HB ARG 36 15.960 -7.168 4.407
24 1HG ARG 36 2HG ARG 36 14.257 -8.919 3.938
25 2HG ARG 36 1HG ARG 36 15.261 -9.518 2.618
26 1HD ARG 36 2HD ARG 36 17.113 -9.912 4.267
27 2HD ARG 36 1HD ARG 36 16.001 -9.441 5.567
28 HE ARG 36 HE ARG 36 14.756 -11.408 3.876
29 1HH1 ARG 36 1HH2 ARG 36 14.944 -11.303 6.949
30 2HH1 ARG 36 2HH2 ARG 36 15.801 -12.775 7.264
31 1HH2 ARG 36 1HH1 ARG 36 16.836 -13.186 3.980
32 2HH2 ARG 36 2HH1 ARG 36 16.874 -13.841 5.583
33 H ILE 37 H ILE 37 14.447 -5.042 4.261
34 HA ILE 37 HA ILE 37 11.817 -6.107 4.951
35 HB ILE 37 HB ILE 37 11.841 -4.341 6.565
36 1HG1 ILE 37 1HG1 ILE 37 14.054 -3.007 4.984
37 2HG1 ILE 37 2HG1 ILE 37 12.357 -2.554 4.845
38 1HG2 ILE 37 1HG2 ILE 37 13.758 -4.910 7.700
39 2HG2 ILE 37 2HG2 ILE 37 14.792 -4.647 6.295
40 3HG2 ILE 37 3HG2 ILE 37 13.844 -6.129 6.429
41 1HD1 ILE 37 1HD1 ILE 37 13.984 -2.520 7.405
42 2HD1 ILE 37 2HD1 ILE 37 12.285 -2.065 7.261
43 3HD1 ILE 37 3HD1 ILE 37 13.528 -1.101 6.461
44 H TRP 38 H TRP 38 12.871 -4.349 2.315
45 HA TRP 38 HA TRP 38 10.893 -2.306 2.032
46 1HB TRP 38 2HB TRP 38 12.868 -2.322 0.674
47 2HB TRP 38 1HB TRP 38 12.540 -3.959 0.104
48 HD1 TRP 38 HD TRP 38 12.386 -3.324 -2.428
49 HE1 TRP 38 1HE TRP 38 10.638 -2.043 -3.820
50 HE3 TRP 38 3HE TRP 38 9.662 -1.158 1.324
51 HZ2 TRP 38 2HZ TRP 38 8.391 -0.332 -3.407
52 HZ3 TRP 38 3HZ TRP 38 7.729 0.291 0.790
53 HH2 TRP 38 HH TRP 38 7.089 0.708 -1.569
54 H LEU 39 H LEU 39 10.846 -5.769 1.313
55 HA LEU 39 HA LEU 39 8.412 -5.753 -0.242
56 1HB LEU 39 2HB LEU 39 9.779 -7.903 1.407
57 2HB LEU 39 1HB LEU 39 8.537 -8.198 0.190
58 HG LEU 39 HG LEU 39 11.275 -6.978 -0.277
59 1HD1 LEU 39 1HD1 LEU 39 11.806 -8.983 -1.400
60 2HD1 LEU 39 2HD1 LEU 39 10.112 -9.451 -1.551
61 3HD1 LEU 39 3HD1 LEU 39 10.916 -9.538 0.017
62 1HD2 LEU 39 1HD2 LEU 39 10.070 -7.545 -2.729
63 2HD2 LEU 39 2HD2 LEU 39 10.299 -5.941 -2.033
64 3HD2 LEU 39 3HD2 LEU 39 8.781 -6.803 -1.783
65 H HIS 40 H HIS 40 9.121 -5.991 3.207
66 HA HIS 40 HA HIS 40 6.579 -6.902 4.125
67 1HB HIS 40 2HB HIS 40 8.652 -5.061 5.361
68 2HB HIS 40 1HB HIS 40 7.353 -5.845 6.257
69 HD1 HIS 40 1HD HIS 40 7.672 -8.541 4.425
70 HD2 HIS 40 2HD HIS 40 10.602 -6.674 6.728
71 HE1 HIS 40 1HE HIS 40 9.413 -10.307 4.939
72 H ASN 41 H ASN 41 7.769 -3.656 3.316
73 HA ASN 41 HA ASN 41 5.709 -2.053 4.373
74 1HB ASN 41 2HB ASN 41 7.891 -1.482 3.107
75 2HB ASN 41 1HB ASN 41 6.938 -1.672 1.638
76 1HD2 ASN 41 1HD2 ASN 41 6.902 0.115 4.769
77 2HD2 ASN 41 2HD2 ASN 41 6.095 1.476 4.153
78 H LEU 42 H LEU 42 5.846 -3.596 1.148
79 HA LEU 42 HA LEU 42 3.454 -2.790 0.010
80 1HB LEU 42 2HB LEU 42 5.204 -4.347 -0.901
81 2HB LEU 42 1HB LEU 42 4.528 -5.626 0.106
82 HG LEU 42 HG LEU 42 2.291 -5.161 -1.028
83 1HD1 LEU 42 1HD1 LEU 42 2.549 -3.036 -2.009
84 2HD1 LEU 42 2HD1 LEU 42 2.705 -4.130 -3.385
85 3HD1 LEU 42 3HD1 LEU 42 4.146 -3.425 -2.650
86 1HD2 LEU 42 1HD2 LEU 42 3.148 -6.253 -3.241
87 2HD2 LEU 42 2HD2 LEU 42 3.364 -7.132 -1.728
88 3HD2 LEU 42 3HD2 LEU 42 4.719 -6.254 -2.438
89 H GLY 43 H GLY 43 3.865 -5.333 2.481
90 1HA GLY 43 1HA GLY 43 1.216 -6.303 2.558
91 2HA GLY 43 2HA GLY 43 2.301 -6.289 3.947
92 H GLN 44 H GLN 44 2.421 -3.213 3.461
93 HA GLN 44 HA GLN 44 0.312 -2.571 5.380
94 1HB GLN 44 2HB GLN 44 2.419 -0.994 3.879
95 2HB GLN 44 1HB GLN 44 1.356 -0.278 5.092
96 1HG GLN 44 2HG GLN 44 2.179 -1.876 6.773
97 2HG GLN 44 1HG GLN 44 3.217 -2.629 5.562
98 1HE2 GLN 44 1HE2 GLN 44 4.323 -1.446 7.925
99 2HE2 GLN 44 2HE2 GLN 44 5.216 -0.075 7.472
100 H HIS 45 H HIS 45 0.650 -2.414 1.897
101 HA HIS 45 HA HIS 45 -1.480 -0.407 1.600
102 1HB HIS 45 2HB HIS 45 -0.745 -0.329 -0.583
103 2HB HIS 45 1HB HIS 45 0.683 -1.054 0.145
104 HD1 HIS 45 1HD HIS 45 1.305 -3.402 -0.580
105 HD2 HIS 45 2HD HIS 45 -2.472 -2.265 -1.931
106 HE1 HIS 45 1HE HIS 45 0.551 -5.199 -2.197
107 H ILE 46 H ILE 46 -1.166 -3.925 1.453
108 HA ILE 46 HA ILE 46 -3.804 -4.371 0.295
109 HB ILE 46 HB ILE 46 -3.274 -6.694 0.758
110 1HG1 ILE 46 2HG1 ILE 46 -0.929 -5.759 2.422
111 2HG1 ILE 46 1HG1 ILE 46 -2.492 -6.146 3.139
112 1HG2 ILE 46 1HG2 ILE 46 -0.718 -5.182 0.138
113 2HG2 ILE 46 2HG2 ILE 46 -1.975 -5.569 -1.037
114 3HG2 ILE 46 3HG2 ILE 46 -1.057 -6.865 -0.270
115 1HD1 ILE 46 1HD1 ILE 46 -1.801 -8.297 3.192
116 2HD1 ILE 46 2HD1 ILE 46 -0.409 -7.944 2.168
117 3HD1 ILE 46 3HD1 ILE 46 -1.975 -8.298 1.437
118 H TYR 47 H TYR 47 -2.500 -3.926 3.514
119 HA TYR 47 HA TYR 47 -4.641 -5.059 5.046
120 1HB TYR 47 2HB TYR 47 -2.383 -4.470 5.874
121 2HB TYR 47 1HB TYR 47 -2.742 -2.762 5.621
122 HD1 TYR 47 1HD TYR 47 -3.524 -5.754 7.640
123 HD2 TYR 47 2HD TYR 47 -4.241 -1.554 7.099
124 HE1 TYR 47 1HE TYR 47 -4.586 -5.647 9.877
125 HE2 TYR 47 2HE TYR 47 -5.303 -1.447 9.337
126 HH TYR 47 HH TYR 47 -5.035 -3.942 11.618
127 H GLU 48 H GLU 48 -4.115 -1.822 3.697
128 HA GLU 48 HA GLU 48 -6.346 -0.520 4.934
129 1HB GLU 48 2HB GLU 48 -4.881 -0.081 2.311
130 2HB GLU 48 1HB GLU 48 -5.994 1.083 3.028
131 1HG GLU 48 2HG GLU 48 -4.573 1.145 5.070
132 2HG GLU 48 1HG GLU 48 -3.439 0.042 4.289
133 H THR 49 H THR 49 -6.026 -2.502 2.022
134 HA THR 49 HA THR 49 -8.509 -1.943 0.766
135 HB THR 49 HB THR 49 -7.000 -4.569 0.993
136 HG1 THR 49 1HG THR 49 -5.617 -3.742 -0.364
137 1HG2 THR 49 1HG2 THR 49 -8.612 -5.346 -0.367
138 2HG2 THR 49 2HG2 THR 49 -8.081 -4.181 -1.580
139 3HG2 THR 49 3HG2 THR 49 -9.366 -3.754 -0.450
140 H TYR 50 H TYR 50 -7.699 -4.080 3.475
141 HA TYR 50 HA TYR 50 -10.259 -5.404 3.646
142 1HB TYR 50 1HB TYR 50 -8.039 -4.842 5.637
143 2HB TYR 50 2HB TYR 50 -9.387 -5.931 5.958
144 HD1 TYR 50 1HD TYR 50 -9.660 -8.019 4.639
145 HD2 TYR 50 2HD TYR 50 -6.242 -5.462 4.152
146 HE1 TYR 50 1HE TYR 50 -8.454 -9.849 3.477
147 HE2 TYR 50 2HE TYR 50 -5.038 -7.291 2.989
148 HH TYR 50 HH TYR 50 -5.060 -9.496 2.521
149 H GLY 51 H GLY 51 -8.866 -2.538 5.249
150 1HA GLY 51 2HA GLY 51 -11.560 -1.447 5.670
151 2HA GLY 51 1HA GLY 51 -10.700 -1.858 7.155
152 1HN NH2 52 1H GLY 51 -8.109 -1.056 6.663
153 2HN NH2 52 2H GLY 51 -8.045 0.605 6.315
Start of MODEL 15
1 1H ACE 33 1H ACE 33 19.333 -6.790 0.651
2 2H ACE 33 2H ACE 33 19.393 -7.575 2.230
3 3H ACE 33 3H ACE 33 20.621 -6.388 1.788
4 H PHE 34 H PHE 34 20.261 -4.310 2.433
5 HA PHE 34 HA PHE 34 18.310 -3.469 4.205
6 1HB PHE 34 2HB PHE 34 20.400 -2.368 2.754
7 2HB PHE 34 1HB PHE 34 19.006 -1.435 2.209
8 HD1 PHE 34 1HD PHE 34 17.301 -0.846 4.242
9 HD2 PHE 34 2HD PHE 34 21.522 -1.550 4.620
10 HE1 PHE 34 1HE PHE 34 17.324 0.430 6.368
11 HE2 PHE 34 2HE PHE 34 21.543 -0.273 6.747
12 HZ PHE 34 HZ PHE 34 19.444 0.717 7.621
13 HA PRO 35 HA PRO 35 15.521 -1.963 0.623
14 1HB PRO 35 2HB PRO 35 15.926 -3.048 -1.854
15 2HB PRO 35 1HB PRO 35 16.675 -1.529 -1.326
16 1HG PRO 35 2HG PRO 35 17.827 -4.274 -1.455
17 2HG PRO 35 1HG PRO 35 18.570 -2.720 -1.860
18 1HD PRO 35 2HD PRO 35 19.037 -4.044 0.468
19 2HD PRO 35 1HD PRO 35 19.126 -2.278 0.320
20 H ARG 36 H ARG 36 16.614 -5.146 1.225
21 HA ARG 36 HA ARG 36 14.603 -6.736 -0.029
22 1HB ARG 36 2HB ARG 36 16.707 -7.520 1.069
23 2HB ARG 36 1HB ARG 36 16.004 -7.124 2.636
24 1HG ARG 36 2HG ARG 36 15.628 -9.470 2.291
25 2HG ARG 36 1HG ARG 36 14.078 -8.667 2.041
26 1HD ARG 36 2HD ARG 36 14.499 -8.679 -0.421
27 2HD ARG 36 1HD ARG 36 16.005 -9.571 -0.131
28 HE ARG 36 HE ARG 36 13.774 -10.832 1.217
29 1HH1 ARG 36 1HH2 ARG 36 14.106 -10.035 -2.019
30 2HH1 ARG 36 2HH2 ARG 36 14.055 -11.663 -2.610
31 1HH2 ARG 36 1HH1 ARG 36 14.219 -13.094 0.544
32 2HH2 ARG 36 2HH1 ARG 36 14.117 -13.395 -1.158
33 H ILE 37 H ILE 37 14.576 -4.819 2.928
34 HA ILE 37 HA ILE 37 12.122 -5.915 4.012
35 HB ILE 37 HB ILE 37 12.380 -4.150 5.607
36 1HG1 ILE 37 1HG1 ILE 37 14.142 -2.747 3.574
37 2HG1 ILE 37 2HG1 ILE 37 12.469 -2.314 3.924
38 1HG2 ILE 37 1HG2 ILE 37 14.345 -4.941 6.375
39 2HG2 ILE 37 2HG2 ILE 37 15.232 -4.141 5.077
40 3HG2 ILE 37 3HG2 ILE 37 14.555 -5.749 4.821
41 1HD1 ILE 37 1HD1 ILE 37 13.108 -1.948 6.312
42 2HD1 ILE 37 2HD1 ILE 37 13.953 -0.863 5.207
43 3HD1 ILE 37 3HD1 ILE 37 14.788 -2.265 5.878
44 H TRP 38 H TRP 38 12.758 -3.882 1.354
45 HA TRP 38 HA TRP 38 10.626 -2.022 1.412
46 1HB TRP 38 2HB TRP 38 12.443 -1.944 -0.190
47 2HB TRP 38 1HB TRP 38 11.992 -3.516 -0.843
48 HD1 TRP 38 HD TRP 38 11.636 -2.462 -3.252
49 HE1 TRP 38 1HE TRP 38 9.698 -1.104 -4.267
50 HE3 TRP 38 3HE TRP 38 9.180 -1.056 1.020
51 HZ2 TRP 38 2HZ TRP 38 7.419 0.376 -3.398
52 HZ3 TRP 38 3HZ TRP 38 7.135 0.325 0.885
53 HH2 TRP 38 HH TRP 38 6.250 1.044 -1.314
54 H LEU 39 H LEU 39 10.685 -5.442 0.466
55 HA LEU 39 HA LEU 39 8.046 -5.538 -0.681
56 1HB LEU 39 2HB LEU 39 9.738 -7.662 0.680
57 2HB LEU 39 1HB LEU 39 8.369 -7.976 -0.387
58 HG LEU 39 HG LEU 39 10.966 -6.594 -1.131
59 1HD1 LEU 39 1HD1 LEU 39 9.727 -9.282 -1.692
60 2HD1 LEU 39 2HD1 LEU 39 11.373 -8.907 -1.185
61 3HD1 LEU 39 3HD1 LEU 39 10.863 -8.572 -2.839
62 1HD2 LEU 39 1HD2 LEU 39 9.072 -5.521 -2.259
63 2HD2 LEU 39 2HD2 LEU 39 8.454 -7.096 -2.758
64 3HD2 LEU 39 3HD2 LEU 39 9.979 -6.499 -3.413
65 H HIS 40 H HIS 40 9.280 -5.857 2.613
66 HA HIS 40 HA HIS 40 6.945 -6.921 3.865
67 1HB HIS 40 2HB HIS 40 9.140 -5.057 4.828
68 2HB HIS 40 1HB HIS 40 8.010 -5.887 5.897
69 HD1 HIS 40 1HD HIS 40 8.087 -8.512 3.918
70 HD2 HIS 40 2HD HIS 40 11.287 -6.683 5.867
71 HE1 HIS 40 1HE HIS 40 9.911 -10.259 4.094
72 H ASN 41 H ASN 41 7.900 -3.590 3.077
73 HA ASN 41 HA ASN 41 5.868 -2.187 4.484
74 1HB ASN 41 1HB ASN 41 7.374 -1.698 1.901
75 2HB ASN 41 2HB ASN 41 6.322 -0.485 2.630
76 1HD2 ASN 41 1HD2 ASN 41 9.007 0.191 2.441
77 2HD2 ASN 41 2HD2 ASN 41 9.748 0.119 3.966
78 H LEU 42 H LEU 42 5.848 -3.693 1.260
79 HA LEU 42 HA LEU 42 3.374 -2.735 0.296
80 1HB LEU 42 2HB LEU 42 4.665 -5.464 -0.007
81 2HB LEU 42 1HB LEU 42 3.457 -4.781 -1.094
82 HG LEU 42 HG LEU 42 6.239 -3.696 -0.561
83 1HD1 LEU 42 1HD1 LEU 42 4.988 -4.611 -3.159
84 2HD1 LEU 42 2HD1 LEU 42 5.919 -5.689 -2.119
85 3HD1 LEU 42 3HD1 LEU 42 6.689 -4.276 -2.839
86 1HD2 LEU 42 1HD2 LEU 42 4.616 -1.862 -0.796
87 2HD2 LEU 42 2HD2 LEU 42 3.996 -2.590 -2.277
88 3HD2 LEU 42 3HD2 LEU 42 5.643 -1.962 -2.226
89 H GLY 43 H GLY 43 4.060 -5.303 2.634
90 1HA GLY 43 1HA GLY 43 1.442 -6.468 2.672
91 2HA GLY 43 2HA GLY 43 2.613 -6.562 3.989
92 H GLN 44 H GLN 44 2.539 -3.407 3.641
93 HA GLN 44 HA GLN 44 0.548 -3.018 5.779
94 1HB GLN 44 2HB GLN 44 2.500 -1.183 4.355
95 2HB GLN 44 1HB GLN 44 1.581 -0.757 5.801
96 1HG GLN 44 2HG GLN 44 3.506 -3.093 5.611
97 2HG GLN 44 1HG GLN 44 3.899 -1.531 6.328
98 1HE2 GLN 44 1HE2 GLN 44 3.442 -4.414 7.486
99 2HE2 GLN 44 2HE2 GLN 44 2.398 -4.136 8.796
100 H HIS 45 H HIS 45 0.672 -2.660 2.325
101 HA HIS 45 HA HIS 45 -1.453 -0.602 2.284
102 1HB HIS 45 2HB HIS 45 -1.046 -0.582 -0.070
103 2HB HIS 45 1HB HIS 45 0.533 -0.800 0.677
104 HD1 HIS 45 1HD HIS 45 1.829 -2.445 -0.643
105 HD2 HIS 45 2HD HIS 45 -2.190 -3.525 -0.421
106 HE1 HIS 45 1HE HIS 45 1.610 -4.646 -1.878
107 H ILE 46 H ILE 46 -1.135 -4.071 2.118
108 HA ILE 46 HA ILE 46 -3.590 -4.696 0.765
109 HB ILE 46 HB ILE 46 -3.180 -6.897 1.579
110 1HG1 ILE 46 2HG1 ILE 46 -1.521 -5.723 3.824
111 2HG1 ILE 46 1HG1 ILE 46 -3.210 -6.190 4.004
112 1HG2 ILE 46 1HG2 ILE 46 -0.933 -7.248 1.041
113 2HG2 ILE 46 2HG2 ILE 46 -0.406 -5.774 1.853
114 3HG2 ILE 46 3HG2 ILE 46 -1.245 -5.676 0.306
115 1HD1 ILE 46 1HD1 ILE 46 -1.711 -8.010 4.732
116 2HD1 ILE 46 2HD1 ILE 46 -0.960 -8.029 3.137
117 3HD1 ILE 46 3HD1 ILE 46 -2.652 -8.490 3.322
118 H TYR 47 H TYR 47 -2.835 -3.701 4.033
119 HA TYR 47 HA TYR 47 -5.226 -4.474 5.381
120 1HB TYR 47 2HB TYR 47 -3.049 -3.643 6.335
121 2HB TYR 47 1HB TYR 47 -3.487 -2.024 5.793
122 HD1 TYR 47 1HD TYR 47 -4.352 -4.780 8.099
123 HD2 TYR 47 2HD TYR 47 -5.206 -0.740 6.915
124 HE1 TYR 47 1HE TYR 47 -5.685 -4.457 10.165
125 HE2 TYR 47 2HE TYR 47 -6.540 -0.418 8.981
126 HH TYR 47 HH TYR 47 -6.717 -1.373 11.217
127 H GLU 48 H GLU 48 -4.401 -1.529 3.571
128 HA GLU 48 HA GLU 48 -6.777 -0.042 4.095
129 1HB GLU 48 2HB GLU 48 -4.456 0.478 2.929
130 2HB GLU 48 1HB GLU 48 -5.335 0.050 1.462
131 1HG GLU 48 2HG GLU 48 -7.130 1.696 2.199
132 2HG GLU 48 1HG GLU 48 -6.001 2.241 3.440
133 H THR 49 H THR 49 -6.035 -2.556 1.714
134 HA THR 49 HA THR 49 -8.283 -2.258 -0.003
135 HB THR 49 HB THR 49 -6.870 -4.788 0.904
136 HG1 THR 49 1HG THR 49 -5.235 -3.722 0.112
137 1HG2 THR 49 1HG2 THR 49 -8.841 -5.273 -0.420
138 2HG2 THR 49 2HG2 THR 49 -7.417 -5.518 -1.431
139 3HG2 THR 49 3HG2 THR 49 -8.387 -4.056 -1.613
140 H TYR 50 H TYR 50 -7.939 -3.866 3.139
141 HA TYR 50 HA TYR 50 -10.524 -5.173 3.109
142 1HB TYR 50 1HB TYR 50 -8.634 -4.312 5.323
143 2HB TYR 50 2HB TYR 50 -10.019 -5.376 5.562
144 HD1 TYR 50 1HD TYR 50 -10.094 -7.607 4.433
145 HD2 TYR 50 2HD TYR 50 -6.611 -5.099 4.314
146 HE1 TYR 50 1HE TYR 50 -8.721 -9.547 3.723
147 HE2 TYR 50 2HE TYR 50 -5.237 -7.037 3.603
148 HH TYR 50 HH TYR 50 -5.735 -9.284 2.369
149 H GLY 51 H GLY 51 -9.317 -2.121 4.533
150 1HA GLY 51 2HA GLY 51 -11.478 -0.483 4.095
151 2HA GLY 51 1HA GLY 51 -11.974 -1.397 5.519
152 1HN NH2 52 1H GLY 51 -11.732 0.154 7.178
153 2HN NH2 52 2H GLY 51 -10.281 0.971 7.507
Start of MODEL 16
1 1H ACE 33 1H ACE 33 22.391 -5.569 3.657
2 2H ACE 33 2H ACE 33 22.593 -4.658 2.160
3 3H ACE 33 3H ACE 33 23.180 -6.318 2.268
4 H PHE 34 H PHE 34 20.228 -4.342 2.207
5 HA PHE 34 HA PHE 34 18.036 -4.897 1.531
6 1HB PHE 34 2HB PHE 34 19.957 -5.926 -0.257
7 2HB PHE 34 1HB PHE 34 18.785 -7.225 -0.031
8 HD1 PHE 34 1HD PHE 34 19.477 -4.754 -2.225
9 HD2 PHE 34 2HD PHE 34 16.254 -5.960 0.346
10 HE1 PHE 34 1HE PHE 34 17.866 -3.557 -3.682
11 HE2 PHE 34 2HE PHE 34 14.643 -4.765 -1.112
12 HZ PHE 34 HZ PHE 34 15.449 -3.563 -3.126
13 HA PRO 35 HA PRO 35 17.841 -8.382 4.495
14 1HB PRO 35 2HB PRO 35 16.007 -7.213 6.166
15 2HB PRO 35 1HB PRO 35 17.762 -7.004 6.346
16 1HG PRO 35 2HG PRO 35 15.732 -5.196 5.134
17 2HG PRO 35 1HG PRO 35 17.138 -4.800 6.131
18 1HD PRO 35 2HD PRO 35 17.092 -4.509 3.426
19 2HD PRO 35 1HD PRO 35 18.574 -4.847 4.344
20 H ARG 36 H ARG 36 15.925 -7.005 2.192
21 HA ARG 36 HA ARG 36 14.000 -7.803 1.075
22 1HB ARG 36 2HB ARG 36 14.020 -10.048 3.101
23 2HB ARG 36 1HB ARG 36 13.447 -10.090 1.436
24 1HG ARG 36 2HG ARG 36 15.800 -9.665 0.675
25 2HG ARG 36 1HG ARG 36 16.325 -9.817 2.351
26 1HD ARG 36 2HD ARG 36 16.555 -11.965 1.075
27 2HD ARG 36 1HD ARG 36 15.435 -12.112 2.443
28 HE ARG 36 HE ARG 36 14.258 -11.316 -0.159
29 1HH1 ARG 36 1HH1 ARG 36 13.502 -12.860 2.618
30 2HH1 ARG 36 2HH1 ARG 36 12.859 -14.299 1.903
31 1HH2 ARG 36 1HH2 ARG 36 14.027 -13.557 -1.275
32 2HH2 ARG 36 2HH2 ARG 36 13.157 -14.694 -0.301
33 H ILE 37 H ILE 37 14.087 -6.615 4.136
34 HA ILE 37 HA ILE 37 11.456 -7.200 5.168
35 HB ILE 37 HB ILE 37 11.989 -5.384 6.682
36 1HG1 ILE 37 1HG1 ILE 37 14.073 -4.586 4.621
37 2HG1 ILE 37 2HG1 ILE 37 12.581 -3.713 4.972
38 1HG2 ILE 37 1HG2 ILE 37 13.497 -6.836 7.529
39 2HG2 ILE 37 2HG2 ILE 37 14.727 -5.940 6.637
40 3HG2 ILE 37 3HG2 ILE 37 13.984 -7.369 5.921
41 1HD1 ILE 37 1HD1 ILE 37 13.312 -3.166 7.187
42 2HD1 ILE 37 2HD1 ILE 37 14.674 -2.816 6.122
43 3HD1 ILE 37 3HD1 ILE 37 14.667 -4.292 7.087
44 H TRP 38 H TRP 38 12.792 -4.899 2.904
45 HA TRP 38 HA TRP 38 10.912 -2.878 2.681
46 1HB TRP 38 2HB TRP 38 11.659 -2.725 0.395
47 2HB TRP 38 1HB TRP 38 13.014 -3.355 1.330
48 HD1 TRP 38 HD TRP 38 13.658 -5.912 1.014
49 HE1 TRP 38 1HE TRP 38 13.100 -7.618 -0.837
50 HE3 TRP 38 3HE TRP 38 9.829 -3.465 -1.311
51 HZ2 TRP 38 2HZ TRP 38 11.269 -7.904 -3.018
52 HZ3 TRP 38 3HZ TRP 38 8.694 -4.475 -3.269
53 HH2 TRP 38 HH TRP 38 9.409 -6.690 -4.125
54 H LEU 39 H LEU 39 10.560 -6.221 1.492
55 HA LEU 39 HA LEU 39 8.206 -5.939 -0.039
56 1HB LEU 39 2HB LEU 39 9.702 -7.951 0.243
57 2HB LEU 39 1HB LEU 39 8.940 -8.226 1.810
58 HG LEU 39 HG LEU 39 6.711 -8.260 0.611
59 1HD1 LEU 39 1HD1 LEU 39 8.375 -7.401 -1.541
60 2HD1 LEU 39 2HD1 LEU 39 6.632 -7.665 -1.557
61 3HD1 LEU 39 3HD1 LEU 39 7.726 -8.986 -1.968
62 1HD2 LEU 39 1HD2 LEU 39 7.078 -10.467 0.867
63 2HD2 LEU 39 2HD2 LEU 39 8.813 -10.255 0.638
64 3HD2 LEU 39 3HD2 LEU 39 7.761 -10.483 -0.759
65 H HIS 40 H HIS 40 8.612 -6.183 3.466
66 HA HIS 40 HA HIS 40 5.921 -6.634 4.239
67 1HB HIS 40 2HB HIS 40 8.210 -5.075 5.475
68 2HB HIS 40 1HB HIS 40 6.719 -5.446 6.340
69 HD1 HIS 40 1HD HIS 40 9.654 -7.173 4.672
70 HD2 HIS 40 2HD HIS 40 6.560 -8.065 7.318
71 HE1 HIS 40 1HE HIS 40 10.108 -9.508 5.544
72 H ASN 41 H ASN 41 7.617 -3.642 3.360
73 HA ASN 41 HA ASN 41 5.740 -1.687 4.110
74 1HB ASN 41 1HB ASN 41 8.074 -1.645 2.894
75 2HB ASN 41 2HB ASN 41 7.102 -1.659 1.426
76 1HD2 ASN 41 1HD2 ASN 41 7.836 0.585 0.983
77 2HD2 ASN 41 2HD2 ASN 41 7.154 1.886 1.832
78 H LEU 42 H LEU 42 5.775 -3.796 1.254
79 HA LEU 42 HA LEU 42 3.481 -2.653 -0.060
80 1HB LEU 42 2HB LEU 42 4.944 -5.298 -0.131
81 2HB LEU 42 1HB LEU 42 3.551 -4.989 -1.168
82 HG LEU 42 HG LEU 42 4.788 -2.834 -1.868
83 1HD1 LEU 42 1HD2 LEU 42 6.894 -4.326 -0.323
84 2HD1 LEU 42 2HD2 LEU 42 6.533 -2.599 -0.324
85 3HD1 LEU 42 3HD2 LEU 42 7.359 -3.328 -1.700
86 1HD2 LEU 42 1HD1 LEU 42 6.389 -5.181 -2.756
87 2HD2 LEU 42 2HD1 LEU 42 5.561 -3.956 -3.718
88 3HD2 LEU 42 3HD1 LEU 42 4.645 -5.279 -2.995
89 H GLY 43 H GLY 43 3.872 -5.034 2.501
90 1HA GLY 43 1HA GLY 43 1.257 -6.204 2.349
91 2HA GLY 43 2HA GLY 43 2.291 -6.207 3.778
92 H GLN 44 H GLN 44 2.469 -3.223 3.720
93 HA GLN 44 HA GLN 44 0.231 -2.651 5.448
94 1HB GLN 44 2HB GLN 44 2.303 -0.934 4.047
95 2HB GLN 44 1HB GLN 44 1.215 -0.337 5.301
96 1HG GLN 44 2HG GLN 44 2.111 -2.009 6.879
97 2HG GLN 44 1HG GLN 44 3.189 -2.619 5.624
98 1HE2 GLN 44 1HE2 GLN 44 4.255 -1.573 8.046
99 2HE2 GLN 44 2HE2 GLN 44 5.062 -0.119 7.706
100 H HIS 45 H HIS 45 0.745 -2.347 1.999
101 HA HIS 45 HA HIS 45 -1.386 -0.398 1.554
102 1HB HIS 45 2HB HIS 45 0.187 -2.300 -0.211
103 2HB HIS 45 1HB HIS 45 -0.959 -1.116 -0.839
104 HD1 HIS 45 1HD HIS 45 2.380 -1.388 0.879
105 HD2 HIS 45 2HD HIS 45 -0.065 1.575 -0.738
106 HE1 HIS 45 1HE HIS 45 3.777 0.722 0.785
107 H ILE 46 H ILE 46 -1.064 -3.943 1.106
108 HA ILE 46 HA ILE 46 -3.773 -4.330 0.185
109 HB ILE 46 HB ILE 46 -3.209 -6.659 0.408
110 1HG1 ILE 46 2HG1 ILE 46 -0.877 -5.872 2.171
111 2HG1 ILE 46 1HG1 ILE 46 -2.436 -6.376 2.822
112 1HG2 ILE 46 1HG2 ILE 46 -1.443 -4.769 -0.763
113 2HG2 ILE 46 2HG2 ILE 46 -1.656 -6.462 -1.209
114 3HG2 ILE 46 3HG2 ILE 46 -0.439 -6.012 -0.016
115 1HD1 ILE 46 1HD1 ILE 46 -0.476 -8.135 2.357
116 2HD1 ILE 46 2HD1 ILE 46 -1.190 -8.117 0.744
117 3HD1 ILE 46 3HD1 ILE 46 -2.173 -8.561 2.140
118 H TYR 47 H TYR 47 -2.307 -4.046 3.357
119 HA TYR 47 HA TYR 47 -4.410 -5.280 4.896
120 1HB TYR 47 2HB TYR 47 -2.104 -4.829 5.682
121 2HB TYR 47 1HB TYR 47 -2.411 -3.096 5.580
122 HD1 TYR 47 1HD TYR 47 -3.162 -6.204 7.407
123 HD2 TYR 47 2HD TYR 47 -3.891 -1.978 7.171
124 HE1 TYR 47 1HE TYR 47 -4.157 -6.249 9.679
125 HE2 TYR 47 2HE TYR 47 -4.886 -2.023 9.443
126 HH TYR 47 HH TYR 47 -4.722 -4.878 11.462
127 H GLU 48 H GLU 48 -3.906 -2.027 3.619
128 HA GLU 48 HA GLU 48 -6.027 -0.746 5.109
129 1HB GLU 48 2HB GLU 48 -4.596 -0.130 2.503
130 2HB GLU 48 1HB GLU 48 -5.696 0.992 3.303
131 1HG GLU 48 2HG GLU 48 -3.197 -0.186 4.557
132 2HG GLU 48 1HG GLU 48 -3.325 1.443 3.895
133 H THR 49 H THR 49 -5.854 -2.589 2.120
134 HA THR 49 HA THR 49 -8.324 -1.858 0.915
135 HB THR 49 HB THR 49 -6.916 -4.547 1.020
136 HG1 THR 49 1HG THR 49 -6.068 -3.618 -1.027
137 1HG2 THR 49 1HG2 THR 49 -9.318 -3.696 -0.258
138 2HG2 THR 49 2HG2 THR 49 -8.493 -5.246 -0.415
139 3HG2 THR 49 3HG2 THR 49 -8.094 -3.921 -1.508
140 H TYR 50 H TYR 50 -7.569 -4.150 3.511
141 HA TYR 50 HA TYR 50 -10.196 -5.343 3.685
142 1HB TYR 50 1HB TYR 50 -7.857 -5.035 5.593
143 2HB TYR 50 2HB TYR 50 -9.269 -6.031 5.948
144 HD1 TYR 50 1HD TYR 50 -6.149 -5.784 4.109
145 HD2 TYR 50 2HD TYR 50 -9.836 -7.964 4.431
146 HE1 TYR 50 1HE TYR 50 -5.166 -7.638 2.788
147 HE2 TYR 50 2HE TYR 50 -8.853 -9.819 3.109
148 HH TYR 50 HH TYR 50 -6.567 -10.700 2.597
149 H GLY 51 H GLY 51 -8.581 -2.656 5.387
150 1HA GLY 51 2HA GLY 51 -10.712 -0.949 5.719
151 2HA GLY 51 1HA GLY 51 -10.927 -2.098 7.040
152 1HN NH2 52 1H GLY 51 -7.827 -2.375 7.086
153 2HN NH2 52 2H GLY 51 -7.321 -1.008 7.956
Start of MODEL 17
1 1H ACE 33 1H ACE 33 20.400 -1.020 3.702
2 2H ACE 33 2H ACE 33 21.972 -1.707 3.296
3 3H ACE 33 3H ACE 33 21.392 -1.756 4.960
4 H PHE 34 H PHE 34 18.669 -2.511 4.273
5 HA PHE 34 HA PHE 34 19.107 -5.258 3.150
6 1HB PHE 34 2HB PHE 34 17.918 -4.295 5.732
7 2HB PHE 34 1HB PHE 34 17.300 -5.783 5.012
8 HD1 PHE 34 1HD PHE 34 18.418 -7.803 5.404
9 HD2 PHE 34 2HD PHE 34 20.528 -4.095 5.905
10 HE1 PHE 34 1HE PHE 34 20.385 -9.039 6.272
11 HE2 PHE 34 2HE PHE 34 22.494 -5.332 6.774
12 HZ PHE 34 HZ PHE 34 22.423 -7.804 6.957
13 HA PRO 35 HA PRO 35 15.656 -2.608 1.180
14 1HB PRO 35 2HB PRO 35 16.049 -3.751 -1.275
15 2HB PRO 35 1HB PRO 35 16.902 -2.292 -0.738
16 1HG PRO 35 2HG PRO 35 17.834 -5.122 -0.805
17 2HG PRO 35 1HG PRO 35 18.711 -3.638 -1.200
18 1HD PRO 35 2HD PRO 35 18.994 -4.968 1.160
19 2HD PRO 35 1HD PRO 35 19.234 -3.217 0.992
20 H ARG 36 H ARG 36 16.625 -5.983 1.311
21 HA ARG 36 HA ARG 36 14.426 -7.324 0.222
22 1HB ARG 36 2HB ARG 36 16.012 -7.903 2.742
23 2HB ARG 36 1HB ARG 36 15.031 -9.087 1.879
24 1HG ARG 36 2HG ARG 36 16.412 -8.717 -0.153
25 2HG ARG 36 1HG ARG 36 17.416 -7.586 0.754
26 1HD ARG 36 2HD ARG 36 18.523 -9.760 0.771
27 2HD ARG 36 1HD ARG 36 17.879 -9.472 2.399
28 HE ARG 36 HE ARG 36 15.809 -10.716 0.953
29 1HH1 ARG 36 1HH2 ARG 36 19.132 -11.454 1.347
30 2HH1 ARG 36 2HH2 ARG 36 18.867 -13.132 1.683
31 1HH2 ARG 36 1HH1 ARG 36 15.411 -12.871 1.631
32 2HH2 ARG 36 2HH1 ARG 36 16.763 -13.933 1.843
33 H ILE 37 H ILE 37 14.667 -5.695 3.358
34 HA ILE 37 HA ILE 37 12.183 -6.673 4.441
35 HB ILE 37 HB ILE 37 12.591 -5.018 6.126
36 1HG1 ILE 37 1HG1 ILE 37 14.487 -3.626 4.216
37 2HG1 ILE 37 2HG1 ILE 37 12.808 -3.133 4.437
38 1HG2 ILE 37 1HG2 ILE 37 14.624 -6.717 5.172
39 2HG2 ILE 37 2HG2 ILE 37 14.503 -6.011 6.783
40 3HG2 ILE 37 3HG2 ILE 37 15.420 -5.184 5.525
41 1HD1 ILE 37 1HD1 ILE 37 14.687 -1.990 5.874
42 2HD1 ILE 37 2HD1 ILE 37 14.583 -3.463 6.839
43 3HD1 ILE 37 3HD1 ILE 37 13.163 -2.438 6.639
44 H TRP 38 H TRP 38 12.844 -4.478 1.910
45 HA TRP 38 HA TRP 38 10.761 -2.556 2.172
46 1HB TRP 38 2HB TRP 38 12.706 -2.600 0.567
47 2HB TRP 38 1HB TRP 38 11.854 -3.842 -0.349
48 HD1 TRP 38 HD TRP 38 11.642 -0.149 0.620
49 HE1 TRP 38 1HE TRP 38 10.009 1.035 -0.986
50 HE3 TRP 38 3HE TRP 38 9.834 -4.186 -1.936
51 HZ2 TRP 38 2HZ TRP 38 8.178 0.360 -3.077
52 HZ3 TRP 38 3HZ TRP 38 8.148 -3.885 -3.726
53 HH2 TRP 38 HH TRP 38 7.319 -1.620 -4.300
54 H LEU 39 H LEU 39 10.715 -5.909 1.088
55 HA LEU 39 HA LEU 39 8.225 -5.952 -0.281
56 1HB LEU 39 2HB LEU 39 9.603 -8.032 1.446
57 2HB LEU 39 1HB LEU 39 8.331 -8.376 0.273
58 HG LEU 39 HG LEU 39 11.073 -7.217 -0.302
59 1HD1 LEU 39 1HD1 LEU 39 11.377 -9.263 -1.602
60 2HD1 LEU 39 2HD1 LEU 39 9.729 -9.771 -1.234
61 3HD1 LEU 39 3HD1 LEU 39 10.933 -9.683 0.053
62 1HD2 LEU 39 1HD2 LEU 39 9.873 -6.116 -1.922
63 2HD2 LEU 39 2HD2 LEU 39 8.538 -7.268 -1.865
64 3HD2 LEU 39 3HD2 LEU 39 10.017 -7.672 -2.737
65 H HIS 40 H HIS 40 8.976 -6.076 3.172
66 HA HIS 40 HA HIS 40 6.403 -6.882 4.130
67 1HB HIS 40 2HB HIS 40 8.622 -5.175 5.298
68 2HB HIS 40 1HB HIS 40 7.267 -5.801 6.239
69 HD1 HIS 40 1HD HIS 40 10.310 -6.942 4.313
70 HD2 HIS 40 2HD HIS 40 7.424 -8.550 6.857
71 HE1 HIS 40 1HE HIS 40 11.088 -9.282 4.890
72 H ASN 41 H ASN 41 7.716 -3.716 3.229
73 HA ASN 41 HA ASN 41 5.737 -2.019 4.332
74 1HB ASN 41 1HB ASN 41 7.369 -1.916 1.779
75 2HB ASN 41 2HB ASN 41 6.444 -0.545 2.391
76 1HD2 ASN 41 1HD2 ASN 41 9.351 -0.544 2.156
77 2HD2 ASN 41 2HD2 ASN 41 9.987 -0.425 3.726
78 H LEU 42 H LEU 42 5.761 -3.795 1.245
79 HA LEU 42 HA LEU 42 3.431 -2.760 0.049
80 1HB LEU 42 2HB LEU 42 4.498 -5.603 0.098
81 2HB LEU 42 1HB LEU 42 3.415 -4.941 -1.125
82 HG LEU 42 HG LEU 42 6.248 -4.036 -0.528
83 1HD1 LEU 42 1HD1 LEU 42 5.113 -5.978 -2.305
84 2HD1 LEU 42 2HD1 LEU 42 6.803 -5.499 -2.143
85 3HD1 LEU 42 3HD1 LEU 42 5.749 -4.643 -3.267
86 1HD2 LEU 42 1HD2 LEU 42 5.406 -2.771 -2.838
87 2HD2 LEU 42 2HD2 LEU 42 5.512 -2.017 -1.248
88 3HD2 LEU 42 3HD2 LEU 42 3.979 -2.683 -1.807
89 H GLY 43 H GLY 43 3.760 -5.158 2.638
90 1HA GLY 43 1HA GLY 43 1.104 -6.167 2.621
91 2HA GLY 43 2HA GLY 43 2.148 -6.125 4.041
92 H GLN 44 H GLN 44 2.387 -3.122 3.764
93 HA GLN 44 HA GLN 44 0.189 -2.421 5.503
94 1HB GLN 44 2HB GLN 44 2.248 -0.803 3.971
95 2HB GLN 44 1HB GLN 44 1.199 -0.139 5.225
96 1HG GLN 44 2HG GLN 44 3.196 -2.395 5.588
97 2HG GLN 44 1HG GLN 44 3.385 -0.744 6.177
98 1HE2 GLN 44 1HE2 GLN 44 2.778 -3.648 7.427
99 2HE2 GLN 44 2HE2 GLN 44 1.620 -3.270 8.609
100 H HIS 45 H HIS 45 0.711 -2.202 2.031
101 HA HIS 45 HA HIS 45 -1.464 -0.319 1.546
102 1HB HIS 45 2HB HIS 45 0.116 -2.233 -0.200
103 2HB HIS 45 1HB HIS 45 -1.017 -1.036 -0.829
104 HD1 HIS 45 1HD HIS 45 2.361 -1.376 0.755
105 HD2 HIS 45 2HD HIS 45 -0.131 1.677 -0.605
106 HE1 HIS 45 1HE HIS 45 3.774 0.726 0.684
107 H ILE 46 H ILE 46 -1.069 -3.859 1.134
108 HA ILE 46 HA ILE 46 -3.761 -4.323 0.221
109 HB ILE 46 HB ILE 46 -3.153 -6.630 0.501
110 1HG1 ILE 46 2HG1 ILE 46 -0.878 -5.749 2.295
111 2HG1 ILE 46 1HG1 ILE 46 -2.433 -6.296 2.918
112 1HG2 ILE 46 1HG2 ILE 46 -1.605 -4.874 -0.894
113 2HG2 ILE 46 2HG2 ILE 46 -1.368 -6.621 -0.922
114 3HG2 ILE 46 3HG2 ILE 46 -0.394 -5.615 0.151
115 1HD1 ILE 46 1HD1 ILE 46 -0.286 -7.937 2.317
116 2HD1 ILE 46 2HD1 ILE 46 -1.311 -8.097 0.891
117 3HD1 ILE 46 3HD1 ILE 46 -1.959 -8.469 2.488
118 H TYR 47 H TYR 47 -2.384 -3.765 3.367
119 HA TYR 47 HA TYR 47 -4.402 -5.069 4.963
120 1HB TYR 47 2HB TYR 47 -2.139 -4.365 5.726
121 2HB TYR 47 1HB TYR 47 -2.620 -2.679 5.538
122 HD1 TYR 47 1HD TYR 47 -4.097 -1.605 7.124
123 HD2 TYR 47 2HD TYR 47 -3.190 -5.791 7.457
124 HE1 TYR 47 1HE TYR 47 -5.094 -1.642 9.395
125 HE2 TYR 47 2HE TYR 47 -4.188 -5.828 9.726
126 HH TYR 47 HH TYR 47 -4.581 -3.490 11.595
127 H GLU 48 H GLU 48 -4.024 -1.747 3.749
128 HA GLU 48 HA GLU 48 -6.377 -0.665 4.994
129 1HB GLU 48 2HB GLU 48 -4.855 0.048 2.462
130 2HB GLU 48 1HB GLU 48 -6.054 1.091 3.229
131 1HG GLU 48 2HG GLU 48 -4.703 1.118 5.298
132 2HG GLU 48 1HG GLU 48 -3.503 0.080 4.527
133 H THR 49 H THR 49 -5.842 -2.682 2.216
134 HA THR 49 HA THR 49 -8.229 -2.165 0.724
135 HB THR 49 HB THR 49 -6.642 -4.732 1.083
136 HG1 THR 49 1HG THR 49 -5.421 -3.924 -0.643
137 1HG2 THR 49 1HG2 THR 49 -8.744 -5.072 -0.110
138 2HG2 THR 49 2HG2 THR 49 -7.399 -5.168 -1.247
139 3HG2 THR 49 3HG2 THR 49 -8.389 -3.710 -1.173
140 H TYR 50 H TYR 50 -7.519 -4.449 3.377
141 HA TYR 50 HA TYR 50 -10.454 -5.036 3.548
142 1HB TYR 50 2HB TYR 50 -9.849 -7.213 4.217
143 2HB TYR 50 1HB TYR 50 -8.670 -6.831 2.971
144 HD1 TYR 50 1HD TYR 50 -9.228 -7.073 6.631
145 HD2 TYR 50 2HD TYR 50 -6.343 -6.630 3.480
146 HE1 TYR 50 1HE TYR 50 -7.395 -7.470 8.253
147 HE2 TYR 50 2HE TYR 50 -4.511 -7.025 5.100
148 HH TYR 50 HH TYR 50 -4.811 -8.426 7.905
149 H GLY 51 H GLY 51 -7.524 -4.661 5.532
150 1HA GLY 51 1HA GLY 51 -9.101 -4.308 7.977
151 2HA GLY 51 2HA GLY 51 -7.344 -4.211 7.856
152 1HN NH2 52 1H GLY 51 -8.590 -2.238 9.357
153 2HN NH2 52 2H GLY 51 -8.575 -0.761 8.520
Start of MODEL 18
1 1H ACE 33 1H ACE 33 18.590 -1.384 7.441
2 2H ACE 33 2H ACE 33 16.852 -1.231 7.180
3 3H ACE 33 3H ACE 33 17.881 0.201 7.128
4 H PHE 34 H PHE 34 18.322 -3.007 5.622
5 HA PHE 34 HA PHE 34 19.212 -1.844 3.120
6 1HB PHE 34 2HB PHE 34 18.235 -4.654 3.699
7 2HB PHE 34 1HB PHE 34 19.386 -4.161 2.457
8 HD1 PHE 34 1HD PHE 34 19.677 -6.168 4.906
9 HD2 PHE 34 2HD PHE 34 20.881 -2.108 4.185
10 HE1 PHE 34 1HE PHE 34 21.536 -6.433 6.524
11 HE2 PHE 34 2HE PHE 34 22.741 -2.373 5.804
12 HZ PHE 34 HZ PHE 34 23.068 -4.535 6.974
13 HA PRO 35 HA PRO 35 15.332 -0.869 1.274
14 1HB PRO 35 2HB PRO 35 15.876 -1.562 -1.316
15 2HB PRO 35 1HB PRO 35 16.454 -0.058 -0.575
16 1HG PRO 35 2HG PRO 35 17.895 -2.625 -1.042
17 2HG PRO 35 1HG PRO 35 18.473 -0.961 -1.214
18 1HD PRO 35 2HD PRO 35 19.049 -2.539 0.931
19 2HD PRO 35 1HD PRO 35 18.961 -0.768 1.016
20 H ARG 36 H ARG 36 16.899 -3.989 1.063
21 HA ARG 36 HA ARG 36 14.974 -5.552 -0.270
22 1HB ARG 36 2HB ARG 36 16.733 -6.144 2.129
23 2HB ARG 36 1HB ARG 36 15.926 -7.380 1.165
24 1HG ARG 36 2HG ARG 36 17.107 -6.490 -0.861
25 2HG ARG 36 1HG ARG 36 17.997 -5.390 0.191
26 1HD ARG 36 2HD ARG 36 18.802 -7.412 1.487
27 2HD ARG 36 1HD ARG 36 18.072 -8.427 0.229
28 HE ARG 36 HE ARG 36 19.522 -7.030 -1.396
29 1HH1 ARG 36 1HH1 ARG 36 21.031 -9.173 0.132
30 2HH1 ARG 36 2HH1 ARG 36 22.414 -8.288 0.686
31 1HH2 ARG 36 1HH2 ARG 36 20.998 -5.181 0.085
32 2HH2 ARG 36 2HH2 ARG 36 22.394 -6.028 0.660
33 H ILE 37 H ILE 37 14.945 -4.305 3.042
34 HA ILE 37 HA ILE 37 12.693 -5.904 3.934
35 HB ILE 37 HB ILE 37 12.878 -4.564 5.900
36 1HG1 ILE 37 1HG1 ILE 37 14.385 -2.502 4.266
37 2HG1 ILE 37 2HG1 ILE 37 12.671 -2.381 4.658
38 1HG2 ILE 37 1HG2 ILE 37 15.678 -4.236 4.899
39 2HG2 ILE 37 2HG2 ILE 37 15.003 -5.864 4.961
40 3HG2 ILE 37 3HG2 ILE 37 15.105 -4.895 6.432
41 1HD1 ILE 37 1HD1 ILE 37 13.401 -2.684 7.115
42 2HD1 ILE 37 2HD1 ILE 37 13.745 -1.128 6.357
43 3HD1 ILE 37 3HD1 ILE 37 15.030 -2.324 6.541
44 H TRP 38 H TRP 38 12.931 -3.292 1.789
45 HA TRP 38 HA TRP 38 10.615 -1.739 2.381
46 1HB TRP 38 2HB TRP 38 12.436 -1.170 0.795
47 2HB TRP 38 1HB TRP 38 11.895 -2.461 -0.276
48 HD1 TRP 38 HD TRP 38 10.760 0.921 1.142
49 HE1 TRP 38 1HE TRP 38 8.948 1.892 -0.414
50 HE3 TRP 38 3HE TRP 38 10.134 -3.017 -2.051
51 HZ2 TRP 38 2HZ TRP 38 7.432 1.102 -2.709
52 HZ3 TRP 38 3HZ TRP 38 8.501 -2.880 -3.910
53 HH2 TRP 38 HH TRP 38 7.151 -0.828 -4.242
54 H LEU 39 H LEU 39 10.991 -4.839 0.719
55 HA LEU 39 HA LEU 39 8.498 -5.020 -0.604
56 1HB LEU 39 2HB LEU 39 10.448 -6.579 -0.757
57 2HB LEU 39 1HB LEU 39 10.041 -7.192 0.846
58 HG LEU 39 HG LEU 39 7.738 -7.743 -0.059
59 1HD1 LEU 39 1HD1 LEU 39 8.717 -6.255 -2.260
60 2HD1 LEU 39 2HD1 LEU 39 7.170 -7.092 -2.138
61 3HD1 LEU 39 3HD1 LEU 39 8.570 -7.922 -2.816
62 1HD2 LEU 39 1HD2 LEU 39 8.448 -9.818 -1.017
63 2HD2 LEU 39 2HD2 LEU 39 9.693 -9.370 0.149
64 3HD2 LEU 39 3HD2 LEU 39 9.968 -9.118 -1.574
65 H HIS 40 H HIS 40 9.323 -5.589 2.794
66 HA HIS 40 HA HIS 40 6.889 -6.806 3.640
67 1HB HIS 40 2HB HIS 40 8.857 -4.967 5.039
68 2HB HIS 40 1HB HIS 40 7.635 -5.929 5.871
69 HD1 HIS 40 1HD HIS 40 10.856 -6.230 3.973
70 HD2 HIS 40 2HD HIS 40 8.154 -8.733 5.921
71 HE1 HIS 40 1HE HIS 40 11.982 -8.491 4.158
72 H ASN 41 H ASN 41 7.766 -3.413 3.137
73 HA ASN 41 HA ASN 41 5.644 -2.086 4.423
74 1HB ASN 41 2HB ASN 41 7.121 -1.594 1.823
75 2HB ASN 41 1HB ASN 41 6.033 -0.408 2.541
76 1HD2 ASN 41 1HD2 ASN 41 8.905 0.006 2.216
77 2HD2 ASN 41 2HD2 ASN 41 9.572 0.144 3.772
78 H LEU 42 H LEU 42 5.706 -3.641 1.217
79 HA LEU 42 HA LEU 42 3.145 -2.843 0.281
80 1HB LEU 42 2HB LEU 42 4.923 -5.256 -0.109
81 2HB LEU 42 1HB LEU 42 3.395 -5.098 -0.975
82 HG LEU 42 HG LEU 42 4.276 -2.730 -1.621
83 1HD1 LEU 42 1HD2 LEU 42 6.872 -2.957 -1.861
84 2HD1 LEU 42 2HD2 LEU 42 6.719 -4.121 -0.545
85 3HD1 LEU 42 3HD2 LEU 42 6.202 -2.451 -0.311
86 1HD2 LEU 42 1HD1 LEU 42 4.123 -4.074 -3.473
87 2HD2 LEU 42 2HD1 LEU 42 4.977 -5.409 -2.701
88 3HD2 LEU 42 3HD1 LEU 42 5.882 -4.044 -3.354
89 H GLY 43 H GLY 43 4.101 -5.554 2.384
90 1HA GLY 43 1HA GLY 43 1.622 -6.912 2.481
91 2HA GLY 43 2HA GLY 43 2.794 -6.896 3.798
92 H GLN 44 H GLN 44 2.483 -3.806 3.680
93 HA GLN 44 HA GLN 44 0.350 -3.699 5.709
94 1HB GLN 44 2HB GLN 44 2.274 -1.675 4.521
95 2HB GLN 44 1HB GLN 44 1.184 -1.330 5.864
96 1HG GLN 44 2HG GLN 44 2.245 -3.048 7.225
97 2HG GLN 44 1HG GLN 44 3.259 -3.542 5.869
98 1HE2 GLN 44 1HE2 GLN 44 4.362 -2.590 8.374
99 2HE2 GLN 44 2HE2 GLN 44 5.158 -1.123 8.066
100 H HIS 45 H HIS 45 0.872 -2.711 2.365
101 HA HIS 45 HA HIS 45 -1.258 -0.839 2.103
102 1HB HIS 45 2HB HIS 45 -0.575 -0.864 -0.087
103 2HB HIS 45 1HB HIS 45 0.758 -1.816 0.557
104 HD1 HIS 45 1HD HIS 45 -0.054 -4.567 0.740
105 HD2 HIS 45 2HD HIS 45 -1.683 -2.156 -2.244
106 HE1 HIS 45 1HE HIS 45 -0.945 -6.134 -1.040
107 H ILE 46 H ILE 46 -1.265 -4.360 2.182
108 HA ILE 46 HA ILE 46 -3.779 -4.904 0.976
109 HB ILE 46 HB ILE 46 -2.097 -6.577 1.693
110 1HG1 ILE 46 2HG1 ILE 46 -4.577 -7.125 3.311
111 2HG1 ILE 46 1HG1 ILE 46 -4.670 -7.024 1.553
112 1HG2 ILE 46 1HG2 ILE 46 -1.616 -7.007 3.965
113 2HG2 ILE 46 2HG2 ILE 46 -3.053 -6.148 4.522
114 3HG2 ILE 46 3HG2 ILE 46 -1.678 -5.247 3.882
115 1HD1 ILE 46 1HD1 ILE 46 -4.168 -9.256 1.697
116 2HD1 ILE 46 2HD1 ILE 46 -3.385 -9.083 3.268
117 3HD1 ILE 46 3HD1 ILE 46 -2.517 -8.643 1.798
118 H TYR 47 H TYR 47 -2.972 -3.974 4.315
119 HA TYR 47 HA TYR 47 -5.507 -4.207 5.525
120 1HB TYR 47 2HB TYR 47 -3.310 -3.661 6.601
121 2HB TYR 47 1HB TYR 47 -3.421 -2.038 5.920
122 HD1 TYR 47 1HD TYR 47 -4.931 -4.422 8.316
123 HD2 TYR 47 2HD TYR 47 -4.952 -0.397 6.817
124 HE1 TYR 47 1HE TYR 47 -6.348 -3.718 10.225
125 HE2 TYR 47 2HE TYR 47 -6.370 0.307 8.726
126 HH TYR 47 HH TYR 47 -7.952 -0.724 10.316
127 H GLU 48 H GLU 48 -4.190 -1.592 3.532
128 HA GLU 48 HA GLU 48 -6.298 0.301 3.874
129 1HB GLU 48 2HB GLU 48 -4.430 -0.298 1.557
130 2HB GLU 48 1HB GLU 48 -5.374 1.183 1.719
131 1HG GLU 48 2HG GLU 48 -4.247 1.643 3.883
132 2HG GLU 48 1HG GLU 48 -3.273 0.187 3.669
133 H THR 49 H THR 49 -5.960 -2.536 1.794
134 HA THR 49 HA THR 49 -8.062 -2.071 -0.052
135 HB THR 49 HB THR 49 -7.207 -4.668 1.273
136 HG1 THR 49 1HG THR 49 -5.653 -4.731 -0.321
137 1HG2 THR 49 1HG2 THR 49 -8.531 -5.703 -0.220
138 2HG2 THR 49 2HG2 THR 49 -7.828 -4.781 -1.549
139 3HG2 THR 49 3HG2 THR 49 -9.193 -4.124 -0.646
140 H TYR 50 H TYR 50 -8.113 -3.331 3.265
141 HA TYR 50 HA TYR 50 -10.885 -4.086 3.337
142 1HB TYR 50 1HB TYR 50 -8.883 -3.201 5.440
143 2HB TYR 50 2HB TYR 50 -10.464 -3.876 5.828
144 HD1 TYR 50 1HD TYR 50 -7.109 -4.581 4.521
145 HD2 TYR 50 2HD TYR 50 -10.997 -6.226 5.314
146 HE1 TYR 50 1HE TYR 50 -6.194 -6.870 4.256
147 HE2 TYR 50 2HE TYR 50 -10.082 -8.516 5.050
148 HH TYR 50 HH TYR 50 -6.612 -9.046 4.435
149 H GLY 51 H GLY 51 -9.172 -1.070 4.186
150 1HA GLY 51 1HA GLY 51 -11.406 0.596 3.497
151 2HA GLY 51 2HA GLY 51 -11.349 0.381 5.246
152 1HN NH2 52 1H GLY 51 -10.236 2.067 6.225
153 2HN NH2 52 2H GLY 51 -8.890 2.865 5.569
Start of MODEL 19
1 1H ACE 33 1H ACE 33 22.365 -2.966 2.078
2 2H ACE 33 2H ACE 33 21.968 -1.252 2.207
3 3H ACE 33 3H ACE 33 22.276 -1.968 0.627
4 H PHE 34 H PHE 34 20.754 -4.377 1.058
5 HA PHE 34 HA PHE 34 17.977 -3.239 1.202
6 1HB PHE 34 2HB PHE 34 19.131 -3.947 -1.056
7 2HB PHE 34 1HB PHE 34 18.780 -5.585 -0.506
8 HD1 PHE 34 1HD PHE 34 16.434 -6.297 -0.092
9 HD2 PHE 34 2HD PHE 34 17.377 -2.454 -1.764
10 HE1 PHE 34 1HE PHE 34 14.081 -6.041 -0.829
11 HE2 PHE 34 2HE PHE 34 15.023 -2.199 -2.503
12 HZ PHE 34 HZ PHE 34 13.375 -3.992 -2.036
13 HA PRO 35 HA PRO 35 18.152 -6.572 4.274
14 1HB PRO 35 2HB PRO 35 16.263 -5.471 5.926
15 2HB PRO 35 1HB PRO 35 17.987 -5.050 6.004
16 1HG PRO 35 2HG PRO 35 15.721 -3.600 4.732
17 2HG PRO 35 1HG PRO 35 17.096 -2.959 5.637
18 1HD PRO 35 2HD PRO 35 16.943 -2.908 2.925
19 2HD PRO 35 1HD PRO 35 18.480 -3.007 3.808
20 H ARG 36 H ARG 36 15.976 -5.574 1.985
21 HA ARG 36 HA ARG 36 14.108 -6.655 1.031
22 1HB ARG 36 2HB ARG 36 14.501 -8.756 3.170
23 2HB ARG 36 1HB ARG 36 13.857 -8.964 1.543
24 1HG ARG 36 2HG ARG 36 16.127 -8.241 0.666
25 2HG ARG 36 1HG ARG 36 16.721 -8.364 2.323
26 1HD ARG 36 2HD ARG 36 17.112 -10.462 0.999
27 2HD ARG 36 1HD ARG 36 16.061 -10.739 2.401
28 HE ARG 36 HE ARG 36 14.780 -10.058 -0.198
29 1HH1 ARG 36 1HH1 ARG 36 16.088 -12.884 0.486
30 2HH1 ARG 36 2HH1 ARG 36 14.637 -13.770 0.808
31 1HH2 ARG 36 1HH2 ARG 36 12.640 -10.945 1.007
32 2HH2 ARG 36 2HH2 ARG 36 12.685 -12.673 1.104
33 H ILE 37 H ILE 37 14.212 -5.294 4.030
34 HA ILE 37 HA ILE 37 11.764 -6.102 5.286
35 HB ILE 37 HB ILE 37 12.097 -4.043 6.541
36 1HG1 ILE 37 1HG1 ILE 37 13.988 -3.236 4.303
37 2HG1 ILE 37 2HG1 ILE 37 12.373 -2.575 4.550
38 1HG2 ILE 37 1HG2 ILE 37 13.848 -5.134 7.453
39 2HG2 ILE 37 2HG2 ILE 37 14.891 -4.262 6.331
40 3HG2 ILE 37 3HG2 ILE 37 14.272 -5.857 5.902
41 1HD1 ILE 37 1HD1 ILE 37 14.808 -1.742 5.776
42 2HD1 ILE 37 2HD1 ILE 37 13.787 -2.434 7.036
43 3HD1 ILE 37 3HD1 ILE 37 13.185 -1.105 6.045
44 H TRP 38 H TRP 38 12.579 -3.797 2.768
45 HA TRP 38 HA TRP 38 10.326 -2.202 2.481
46 1HB TRP 38 2HB TRP 38 12.461 -2.389 1.085
47 2HB TRP 38 1HB TRP 38 11.668 -3.700 0.215
48 HD1 TRP 38 HD TRP 38 11.385 0.061 0.873
49 HE1 TRP 38 1HE TRP 38 9.927 1.112 -0.975
50 HE3 TRP 38 3HE TRP 38 9.842 -4.166 -1.543
51 HZ2 TRP 38 2HZ TRP 38 8.318 0.270 -3.186
52 HZ3 TRP 38 3HZ TRP 38 8.349 -4.012 -3.515
53 HH2 TRP 38 HH TRP 38 7.585 -1.802 -4.339
54 H LEU 39 H LEU 39 10.677 -5.595 1.441
55 HA LEU 39 HA LEU 39 8.260 -5.964 0.057
56 1HB LEU 39 2HB LEU 39 9.747 -7.791 1.972
57 2HB LEU 39 1HB LEU 39 8.548 -8.333 0.798
58 HG LEU 39 HG LEU 39 11.202 -6.990 0.216
59 1HD1 LEU 39 1HD1 LEU 39 10.513 -9.670 0.579
60 2HD1 LEU 39 2HD1 LEU 39 11.961 -9.073 -0.233
61 3HD1 LEU 39 3HD1 LEU 39 10.521 -9.467 -1.172
62 1HD2 LEU 39 1HD2 LEU 39 10.399 -7.485 -2.213
63 2HD2 LEU 39 2HD2 LEU 39 9.765 -6.055 -1.395
64 3HD2 LEU 39 3HD2 LEU 39 8.784 -7.518 -1.504
65 H HIS 40 H HIS 40 8.854 -5.840 3.541
66 HA HIS 40 HA HIS 40 6.285 -6.787 4.405
67 1HB HIS 40 2HB HIS 40 8.360 -4.940 5.625
68 2HB HIS 40 1HB HIS 40 6.987 -5.594 6.519
69 HD1 HIS 40 1HD HIS 40 10.099 -6.727 4.670
70 HD2 HIS 40 2HD HIS 40 7.307 -8.243 7.369
71 HE1 HIS 40 1HE HIS 40 10.968 -8.990 5.405
72 H ASN 41 H ASN 41 7.489 -3.573 3.498
73 HA ASN 41 HA ASN 41 5.317 -1.991 4.429
74 1HB ASN 41 1HB ASN 41 7.164 -1.770 2.029
75 2HB ASN 41 2HB ASN 41 6.125 -0.458 2.587
76 1HD2 ASN 41 1HD2 ASN 41 9.067 -0.380 2.586
77 2HD2 ASN 41 2HD2 ASN 41 9.557 -0.233 4.205
78 H LEU 42 H LEU 42 5.794 -3.629 1.285
79 HA LEU 42 HA LEU 42 3.559 -2.822 -0.148
80 1HB LEU 42 2HB LEU 42 5.358 -4.406 -0.851
81 2HB LEU 42 1HB LEU 42 4.624 -5.649 0.164
82 HG LEU 42 HG LEU 42 2.481 -5.301 -1.157
83 1HD1 LEU 42 1HD1 LEU 42 4.404 -3.633 -2.791
84 2HD1 LEU 42 2HD1 LEU 42 2.840 -3.152 -2.136
85 3HD1 LEU 42 3HD1 LEU 42 2.920 -4.301 -3.472
86 1HD2 LEU 42 1HD2 LEU 42 4.994 -6.266 -2.547
87 2HD2 LEU 42 2HD2 LEU 42 3.367 -6.548 -3.169
88 3HD2 LEU 42 3HD2 LEU 42 3.850 -7.236 -1.618
89 H GLY 43 H GLY 43 3.659 -5.307 2.416
90 1HA GLY 43 1HA GLY 43 1.000 -6.236 2.204
91 2HA GLY 43 2HA GLY 43 1.923 -6.220 3.707
92 H GLN 44 H GLN 44 2.269 -3.278 3.620
93 HA GLN 44 HA GLN 44 -0.021 -2.495 5.139
94 1HB GLN 44 2HB GLN 44 2.152 -0.961 3.685
95 2HB GLN 44 1HB GLN 44 1.018 -0.210 4.805
96 1HG GLN 44 2HG GLN 44 1.773 -1.732 6.596
97 2HG GLN 44 1HG GLN 44 2.909 -2.485 5.477
98 1HE2 GLN 44 1HE2 GLN 44 3.860 -1.211 7.837
99 2HE2 GLN 44 2HE2 GLN 44 4.713 0.189 7.397
100 H HIS 45 H HIS 45 0.742 -2.225 1.699
101 HA HIS 45 HA HIS 45 -1.348 -0.370 1.002
102 1HB HIS 45 2HB HIS 45 0.176 -2.516 -0.507
103 2HB HIS 45 1HB HIS 45 -0.910 -1.371 -1.293
104 HD1 HIS 45 1HD HIS 45 2.367 -1.548 0.565
105 HD2 HIS 45 2HD HIS 45 0.096 1.273 -1.504
106 HE1 HIS 45 1HE HIS 45 3.846 0.487 0.271
107 H ILE 46 H ILE 46 -1.180 -3.948 0.900
108 HA ILE 46 HA ILE 46 -3.978 -4.215 0.108
109 HB ILE 46 HB ILE 46 -3.482 -6.569 0.253
110 1HG1 ILE 46 2HG1 ILE 46 -1.016 -5.812 1.849
111 2HG1 ILE 46 1HG1 ILE 46 -2.504 -6.440 2.558
112 1HG2 ILE 46 1HG2 ILE 46 -2.034 -6.475 -1.471
113 2HG2 ILE 46 2HG2 ILE 46 -0.731 -5.923 -0.417
114 3HG2 ILE 46 3HG2 ILE 46 -1.844 -4.756 -1.131
115 1HD1 ILE 46 1HD1 ILE 46 -0.743 -7.850 0.529
116 2HD1 ILE 46 2HD1 ILE 46 -2.284 -8.470 1.123
117 3HD1 ILE 46 3HD1 ILE 46 -0.926 -8.277 2.230
118 H TYR 47 H TYR 47 -2.153 -4.146 3.108
119 HA TYR 47 HA TYR 47 -4.034 -5.288 4.904
120 1HB TYR 47 1HB TYR 47 -1.627 -4.626 5.296
121 2HB TYR 47 2HB TYR 47 -2.159 -2.944 5.353
122 HD1 TYR 47 1HD TYR 47 -3.383 -2.073 7.247
123 HD2 TYR 47 2HD TYR 47 -2.362 -6.239 7.022
124 HE1 TYR 47 1HE TYR 47 -4.001 -2.353 9.633
125 HE2 TYR 47 2HE TYR 47 -2.980 -6.520 9.409
126 HH TYR 47 HH TYR 47 -4.547 -5.292 11.058
127 H GLU 48 H GLU 48 -3.654 -1.940 3.768
128 HA GLU 48 HA GLU 48 -5.719 -0.752 5.340
129 1HB GLU 48 1HB GLU 48 -3.804 0.187 3.793
130 2HB GLU 48 2HB GLU 48 -5.041 0.108 2.538
131 1HG GLU 48 1HG GLU 48 -6.557 1.412 4.108
132 2HG GLU 48 2HG GLU 48 -5.145 1.663 5.135
133 H THR 49 H THR 49 -5.773 -2.429 2.218
134 HA THR 49 HA THR 49 -8.395 -1.771 1.361
135 HB THR 49 HB THR 49 -6.899 -4.400 1.098
136 HG1 THR 49 1HG THR 49 -5.714 -3.444 -0.397
137 1HG2 THR 49 1HG2 THR 49 -8.493 -4.995 -0.373
138 2HG2 THR 49 2HG2 THR 49 -8.354 -3.456 -1.223
139 3HG2 THR 49 3HG2 THR 49 -9.426 -3.601 0.170
140 H TYR 50 H TYR 50 -7.255 -4.218 3.671
141 HA TYR 50 HA TYR 50 -9.795 -5.548 4.025
142 1HB TYR 50 1HB TYR 50 -7.324 -5.247 5.761
143 2HB TYR 50 2HB TYR 50 -8.636 -6.371 6.108
144 HD1 TYR 50 1HD TYR 50 -5.664 -5.750 4.138
145 HD2 TYR 50 2HD TYR 50 -9.195 -8.176 4.423
146 HE1 TYR 50 1HE TYR 50 -4.650 -7.403 2.593
147 HE2 TYR 50 2HE TYR 50 -8.182 -9.831 2.877
148 HH TYR 50 HH TYR 50 -6.389 -9.768 1.038
149 H GLY 51 H GLY 51 -8.131 -2.949 5.838
150 1HA GLY 51 1HA GLY 51 -10.410 -2.623 7.653
151 2HA GLY 51 2HA GLY 51 -8.955 -1.625 7.626
152 1HN NH2 52 1H GLY 51 -10.758 0.141 7.822
153 2HN NH2 52 2H GLY 51 -11.390 0.741 6.366
Start of MODEL 20
1 1H ACE 33 1H ACE 33 18.374 2.336 4.322
2 2H ACE 33 2H ACE 33 19.789 2.173 3.282
3 3H ACE 33 3H ACE 33 19.965 2.069 5.033
4 H PHE 34 H PHE 34 17.143 0.522 4.404
5 HA PHE 34 HA PHE 34 18.481 -2.117 3.919
6 1HB PHE 34 2HB PHE 34 17.532 -1.192 6.321
7 2HB PHE 34 1HB PHE 34 16.122 -2.046 5.695
8 HD1 PHE 34 1HD PHE 34 19.848 -2.533 5.831
9 HD2 PHE 34 2HD PHE 34 15.954 -4.298 6.246
10 HE1 PHE 34 1HE PHE 34 20.894 -4.702 6.426
11 HE2 PHE 34 2HE PHE 34 17.000 -6.466 6.841
12 HZ PHE 34 HZ PHE 34 19.469 -6.667 6.931
13 HA PRO 35 HA PRO 35 14.968 -1.072 0.935
14 1HB PRO 35 2HB PRO 35 16.018 -2.670 -1.021
15 2HB PRO 35 1HB PRO 35 16.452 -0.961 -0.830
16 1HG PRO 35 2HG PRO 35 17.927 -3.404 0.029
17 2HG PRO 35 1HG PRO 35 18.547 -1.899 -0.664
18 1HD PRO 35 2HD PRO 35 18.655 -2.488 1.994
19 2HD PRO 35 1HD PRO 35 18.572 -0.831 1.362
20 H ARG 36 H ARG 36 16.530 -3.944 2.203
21 HA ARG 36 HA ARG 36 14.910 -6.027 1.274
22 1HB ARG 36 2HB ARG 36 16.899 -6.226 2.731
23 2HB ARG 36 1HB ARG 36 15.980 -5.539 4.071
24 1HG ARG 36 2HG ARG 36 15.929 -7.935 4.332
25 2HG ARG 36 1HG ARG 36 14.329 -7.440 3.781
26 1HD ARG 36 2HD ARG 36 14.983 -8.009 1.441
27 2HD ARG 36 1HD ARG 36 16.550 -8.580 2.046
28 HE ARG 36 HE ARG 36 14.246 -9.736 3.445
29 1HH1 ARG 36 1HH2 ARG 36 15.913 -9.877 0.458
30 2HH1 ARG 36 2HH2 ARG 36 15.943 -11.608 0.392
31 1HH2 ARG 36 1HH1 ARG 36 14.502 -12.016 3.520
32 2HH2 ARG 36 2HH1 ARG 36 15.145 -12.819 2.126
33 H ILE 37 H ILE 37 14.202 -3.684 3.853
34 HA ILE 37 HA ILE 37 11.744 -4.945 4.711
35 HB ILE 37 HB ILE 37 11.516 -2.968 6.038
36 1HG1 ILE 37 1HG1 ILE 37 13.503 -1.576 4.225
37 2HG1 ILE 37 2HG1 ILE 37 11.757 -1.415 4.042
38 1HG2 ILE 37 1HG2 ILE 37 14.023 -4.298 5.765
39 2HG2 ILE 37 2HG2 ILE 37 13.363 -3.510 7.198
40 3HG2 ILE 37 3HG2 ILE 37 14.355 -2.593 6.066
41 1HD1 ILE 37 1HD1 ILE 37 11.551 -0.112 5.906
42 2HD1 ILE 37 2HD1 ILE 37 13.255 0.228 5.605
43 3HD1 ILE 37 3HD1 ILE 37 12.795 -0.999 6.786
44 H TRP 38 H TRP 38 12.546 -3.177 1.901
45 HA TRP 38 HA TRP 38 10.222 -1.661 1.375
46 1HB TRP 38 2HB TRP 38 12.211 -1.533 0.013
47 2HB TRP 38 1HB TRP 38 12.104 -3.244 -0.394
48 HD1 TRP 38 HD TRP 38 11.948 -2.715 -2.981
49 HE1 TRP 38 1HE TRP 38 10.014 -1.879 -4.463
50 HE3 TRP 38 3HE TRP 38 8.746 -0.978 0.616
51 HZ2 TRP 38 2HZ TRP 38 7.460 -0.638 -4.170
52 HZ3 TRP 38 3HZ TRP 38 6.578 0.025 -0.022
53 HH2 TRP 38 HH TRP 38 5.930 0.198 -2.406
54 H LEU 39 H LEU 39 10.862 -5.125 0.855
55 HA LEU 39 HA LEU 39 8.380 -5.702 -0.498
56 1HB LEU 39 2HB LEU 39 10.462 -7.079 -0.524
57 2HB LEU 39 1HB LEU 39 10.195 -7.470 1.175
58 HG LEU 39 HG LEU 39 8.142 -8.621 0.667
59 1HD1 LEU 39 1HD2 LEU 39 7.668 -8.745 -1.968
60 2HD1 LEU 39 2HD2 LEU 39 8.432 -7.157 -1.917
61 3HD1 LEU 39 3HD2 LEU 39 6.984 -7.470 -0.961
62 1HD2 LEU 39 1HD1 LEU 39 9.363 -9.823 -1.621
63 2HD2 LEU 39 2HD1 LEU 39 9.357 -10.410 0.042
64 3HD2 LEU 39 3HD1 LEU 39 10.648 -9.343 -0.513
65 H HIS 40 H HIS 40 9.309 -5.443 2.885
66 HA HIS 40 HA HIS 40 6.967 -6.786 3.958
67 1HB HIS 40 2HB HIS 40 9.030 -6.602 5.220
68 2HB HIS 40 1HB HIS 40 9.008 -4.843 5.086
69 HD1 HIS 40 1HD HIS 40 7.334 -3.548 6.582
70 HD2 HIS 40 2HD HIS 40 7.189 -7.679 7.119
71 HE1 HIS 40 1HE HIS 40 5.958 -3.951 8.669
72 H ASN 41 H ASN 41 7.770 -3.454 3.079
73 HA ASN 41 HA ASN 41 5.637 -2.083 4.364
74 1HB ASN 41 2HB ASN 41 7.131 -1.673 1.756
75 2HB ASN 41 1HB ASN 41 6.010 -0.480 2.411
76 1HD2 ASN 41 1HD2 ASN 41 8.760 0.175 2.117
77 2HD2 ASN 41 2HD2 ASN 41 9.461 0.317 3.657
78 H LEU 42 H LEU 42 5.792 -3.668 1.176
79 HA LEU 42 HA LEU 42 3.336 -3.013 0.059
80 1HB LEU 42 2HB LEU 42 5.150 -4.444 -0.890
81 2HB LEU 42 1HB LEU 42 4.635 -5.753 0.173
82 HG LEU 42 HG LEU 42 2.316 -5.496 -0.865
83 1HD1 LEU 42 1HD1 LEU 42 3.819 -4.117 -3.091
84 2HD1 LEU 42 2HD1 LEU 42 2.998 -3.197 -1.832
85 3HD1 LEU 42 3HD1 LEU 42 2.076 -4.272 -2.882
86 1HD2 LEU 42 1HD2 LEU 42 4.704 -6.377 -2.506
87 2HD2 LEU 42 2HD2 LEU 42 3.037 -6.702 -2.982
88 3HD2 LEU 42 3HD2 LEU 42 3.675 -7.381 -1.485
89 H GLY 43 H GLY 43 3.952 -5.567 2.484
90 1HA GLY 43 1HA GLY 43 1.322 -6.612 2.607
91 2HA GLY 43 2HA GLY 43 2.474 -6.662 3.938
92 H GLN 44 H GLN 44 2.465 -3.527 3.558
93 HA GLN 44 HA GLN 44 0.426 -3.078 5.629
94 1HB GLN 44 2HB GLN 44 2.687 -2.100 5.713
95 2HB GLN 44 1HB GLN 44 2.378 -1.250 4.199
96 1HG GLN 44 2HG GLN 44 0.457 -0.089 5.291
97 2HG GLN 44 1HG GLN 44 0.883 -0.874 6.811
98 1HE2 GLN 44 1HE2 GLN 44 0.966 1.860 6.902
99 2HE2 GLN 44 2HE2 GLN 44 2.564 2.429 6.865
100 H HIS 45 H HIS 45 0.762 -2.528 2.172
101 HA HIS 45 HA HIS 45 -1.345 -0.522 2.000
102 1HB HIS 45 2HB HIS 45 -0.814 -0.560 -0.281
103 2HB HIS 45 1HB HIS 45 0.687 -1.141 0.435
104 HD1 HIS 45 1HD HIS 45 1.554 -3.239 -0.581
105 HD2 HIS 45 2HD HIS 45 -2.586 -2.950 -0.977
106 HE1 HIS 45 1HE HIS 45 0.815 -5.260 -1.923
107 H ILE 46 H ILE 46 -1.192 -4.051 1.716
108 HA ILE 46 HA ILE 46 -3.774 -4.495 0.583
109 HB ILE 46 HB ILE 46 -2.060 -6.213 0.741
110 1HG1 ILE 46 2HG1 ILE 46 -3.438 -7.960 2.142
111 2HG1 ILE 46 1HG1 ILE 46 -4.617 -6.653 2.248
112 1HG2 ILE 46 1HG2 ILE 46 -2.385 -6.596 3.663
113 2HG2 ILE 46 2HG2 ILE 46 -1.477 -5.165 3.177
114 3HG2 ILE 46 3HG2 ILE 46 -0.946 -6.763 2.659
115 1HD1 ILE 46 1HD1 ILE 46 -5.079 -6.702 -0.014
116 2HD1 ILE 46 2HD1 ILE 46 -4.634 -8.392 0.216
117 3HD1 ILE 46 3HD1 ILE 46 -3.458 -7.253 -0.439
118 H TYR 47 H TYR 47 -2.743 -3.968 3.942
119 HA TYR 47 HA TYR 47 -5.106 -4.674 5.316
120 1HB TYR 47 2HB TYR 47 -2.909 -4.016 6.295
121 2HB TYR 47 1HB TYR 47 -3.224 -2.348 5.817
122 HD1 TYR 47 1HD TYR 47 -4.260 -5.105 8.049
123 HD2 TYR 47 2HD TYR 47 -4.858 -0.988 6.982
124 HE1 TYR 47 1HE TYR 47 -5.569 -4.757 10.125
125 HE2 TYR 47 2HE TYR 47 -6.168 -0.639 9.059
126 HH TYR 47 HH TYR 47 -7.300 -3.212 10.967
127 H GLU 48 H GLU 48 -4.265 -1.634 3.688
128 HA GLU 48 HA GLU 48 -6.575 -0.123 4.417
129 1HB GLU 48 2HB GLU 48 -4.779 -0.098 1.968
130 2HB GLU 48 1HB GLU 48 -5.909 1.190 2.381
131 1HG GLU 48 2HG GLU 48 -4.740 1.502 4.546
132 2HG GLU 48 1HG GLU 48 -3.595 0.237 4.097
133 H THR 49 H THR 49 -5.984 -2.494 1.857
134 HA THR 49 HA THR 49 -8.241 -2.044 0.210
135 HB THR 49 HB THR 49 -6.971 -4.677 1.035
136 HG1 THR 49 1HG THR 49 -6.294 -2.922 -1.084
137 1HG2 THR 49 1HG2 THR 49 -8.546 -5.499 -0.363
138 2HG2 THR 49 2HG2 THR 49 -7.607 -4.758 -1.658
139 3HG2 THR 49 3HG2 THR 49 -8.973 -3.893 -0.953
140 H TYR 50 H TYR 50 -7.937 -3.783 3.286
141 HA TYR 50 HA TYR 50 -10.580 -4.933 3.317
142 1HB TYR 50 1HB TYR 50 -8.625 -4.106 5.489
143 2HB TYR 50 2HB TYR 50 -10.076 -5.060 5.793
144 HD1 TYR 50 1HD TYR 50 -10.309 -7.340 4.806
145 HD2 TYR 50 2HD TYR 50 -6.689 -5.062 4.451
146 HE1 TYR 50 1HE TYR 50 -9.075 -9.398 4.177
147 HE2 TYR 50 2HE TYR 50 -5.454 -7.117 3.825
148 HH TYR 50 HH TYR 50 -7.123 -10.149 3.220
149 H GLY 51 H GLY 51 -9.232 -1.905 4.655
150 1HA GLY 51 2HA GLY 51 -11.130 -0.069 4.209
151 2HA GLY 51 1HA GLY 51 -11.956 -1.031 5.435
152 1HN NH2 52 1H GLY 51 -9.165 -1.568 6.687
153 2HN NH2 52 2H GLY 51 -8.843 -0.153 7.567