Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
638241 | 6qxc RC | 34367 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 1H PHE 1 -12.984 6.647 1.784
2 H2 PHE 1 2H PHE 1 -13.028 6.175 0.187
3 H3 PHE 1 3H PHE 1 -13.152 5.052 1.363
4 HA PHE 1 HA PHE 1 -10.705 6.654 0.864
5 HB2 PHE 1 2HB PHE 1 -9.606 5.348 2.557
6 HB3 PHE 1 1HB PHE 1 -11.013 6.044 3.285
7 HD1 PHE 1 HD1 PHE 1 -9.367 2.883 2.243
8 HD2 PHE 1 HD2 PHE 1 -12.971 4.527 3.940
9 HE1 PHE 1 HE1 PHE 1 -10.107 0.631 2.879
10 HE2 PHE 1 HE2 PHE 1 -13.687 2.263 4.572
11 HZ PHE 1 HZ PHE 1 -12.262 0.316 4.047
12 H VAL 2 H VAL 2 -9.016 5.560 -0.291
13 HA VAL 2 HA VAL 2 -9.979 3.490 -2.180
14 HB VAL 2 HB VAL 2 -8.431 5.357 -2.847
15 HG11 VAL 2 1HG1 VAL 2 -6.131 3.622 -1.773
16 HG12 VAL 2 2HG1 VAL 2 -6.043 5.267 -2.451
17 HG13 VAL 2 3HG1 VAL 2 -6.744 4.985 -0.836
18 HG21 VAL 2 1HG2 VAL 2 -7.492 2.500 -3.553
19 HG22 VAL 2 2HG2 VAL 2 -8.823 3.385 -4.332
20 HG23 VAL 2 3HG2 VAL 2 -7.160 3.972 -4.493
21 HA PH6 3 HA TCP 3 -8.466 -0.021 0.505
22 HB2 PH6 3 1HB TCP 3 -10.181 -1.230 -0.484
23 HB3 PH6 3 2HB TCP 3 -8.834 -2.047 -1.279
24 HG2 PH6 3 HG TCP 3 -9.006 -0.699 -3.282
25 HD2 PH6 3 1HD TCP 3 -10.932 1.269 -1.948
26 HD3 PH6 3 2HD TCP 3 -9.673 1.523 -3.192
27 H1 PH6 3 H19 TCP 3 -10.260 -2.915 -3.952
28 H61 PH6 3 H20 TCP 3 -12.321 -4.343 -3.766
29 H62 PH6 3 H21 TCP 3 -13.143 -3.092 -2.832
30 H21 PH6 3 H17 TCP 3 -11.902 -0.920 -2.256
31 H22 PH6 3 H18 TCP 3 -10.724 -3.145 -2.268
32 H51 PH6 3 H11 TCP 3 -13.877 -2.995 -5.242
33 H52 PH6 3 H12 TCP 3 -12.202 -2.829 -5.773
34 H41 PH6 3 H13 TCP 3 -13.318 -0.576 -5.748
35 H42 PH6 3 H14 TCP 3 -13.762 -0.778 -4.053
36 H31 PH6 3 H15 TCP 3 -11.730 0.639 -4.249
37 H32 PH6 3 H16 TCP 3 -10.876 -0.600 -5.162
38 H TRP 4 H TRP 4 -6.433 1.102 0.402
39 HA TRP 4 HA TRP 4 -4.346 0.371 -1.519
40 HB2 TRP 4 1HB TRP 4 -4.363 1.695 1.241
41 HB3 TRP 4 2HB TRP 4 -2.861 1.127 0.647
42 HD1 TRP 4 HD1 TRP 4 -3.104 2.001 -2.559
43 HE1 TRP 4 HE1 TRP 4 -3.027 4.532 -3.275
44 HE3 TRP 4 HE3 TRP 4 -4.288 3.937 2.015
45 HZ2 TRP 4 HZ2 TRP 4 -3.357 6.972 -1.856
46 HZ3 TRP 4 HZ3 TRP 4 -4.388 6.392 2.281
47 HH2 TRP 4 HH2 TRP 4 -3.946 7.892 0.373
48 H PHE 5 H PHE 5 -3.619 -1.513 -1.824
49 HA PHE 5 HA PHE 5 -3.180 -3.548 0.424
50 HB2 PHE 5 2HB PHE 5 -3.262 -4.019 -2.623
51 HB3 PHE 5 1HB PHE 5 -3.151 -5.245 -1.391
52 HD1 PHE 5 HD1 PHE 5 -5.428 -3.612 -3.516
53 HD2 PHE 5 HD2 PHE 5 -5.133 -5.095 0.513
54 HE1 PHE 5 HE1 PHE 5 -7.873 -3.798 -3.399
55 HE2 PHE 5 HE2 PHE 5 -7.585 -5.260 0.622
56 HZ PHE 5 HZ PHE 5 -8.959 -4.639 -1.339
57 H SER 6 H SER 6 -1.483 -2.514 -2.521
58 HA SER 6 HA SER 6 1.228 -3.382 -1.394
59 HB2 SER 6 2HB SER 6 0.395 -2.298 -4.169
60 HB3 SER 6 1HB SER 6 2.029 -2.765 -3.713
61 HG SER 6 HG SER 6 -0.124 -4.576 -3.351
62 H LYS 7 H LYS 7 -0.216 -1.180 -0.156
63 HA LYS 7 HA LYS 7 1.489 1.264 -0.779
64 HB2 LYS 7 2HB LYS 7 -0.964 1.476 -0.279
65 HB3 LYS 7 1HB LYS 7 -0.701 0.864 1.356
66 HG2 LYS 7 2HG LYS 7 -0.902 3.285 1.400
67 HG3 LYS 7 1HG LYS 7 0.727 2.845 1.903
68 HD2 LYS 7 2HD LYS 7 1.776 3.683 -0.062
69 HD3 LYS 7 1HD LYS 7 0.411 3.346 -1.088
70 HE2 LYS 7 2HE LYS 7 0.711 5.771 -0.931
71 HE3 LYS 7 1HE LYS 7 -0.871 5.254 -0.366
72 HZ1 LYS 7 1HZ LYS 7 0.134 6.838 1.297
73 HZ2 LYS 7 2HZ LYS 7 -0.032 5.353 1.976
74 HZ3 LYS 7 3HZ LYS 7 1.447 5.840 1.500
75 H PHE 8 H PHE 8 0.958 -0.859 2.013
76 HA PHE 8 HA PHE 8 3.268 0.234 3.555
77 HB2 PHE 8 2HB PHE 8 1.027 -1.008 4.453
78 HB3 PHE 8 1HB PHE 8 1.877 -2.477 4.057
79 HD1 PHE 8 HD1 PHE 8 2.456 0.841 5.796
80 HD2 PHE 8 HD2 PHE 8 3.295 -3.378 5.805
81 HE1 PHE 8 HE1 PHE 8 3.692 1.087 7.908
82 HE2 PHE 8 HE2 PHE 8 4.490 -3.125 7.942
83 HZ PHE 8 HZ PHE 8 4.702 -0.894 8.991
84 H LEU 9 H LEU 9 2.717 -2.647 1.579
85 HA LEU 9 HA LEU 9 5.540 -3.612 1.732
86 HB2 LEU 9 2HB LEU 9 3.012 -4.480 0.264
87 HB3 LEU 9 1HB LEU 9 4.487 -4.731 -0.612
88 HG LEU 9 HG LEU 9 5.487 -5.932 1.437
89 HD11 LEU 9 1HD1 LEU 9 2.537 -5.762 2.386
90 HD12 LEU 9 2HD1 LEU 9 3.730 -6.912 3.038
91 HD13 LEU 9 3HD1 LEU 9 3.981 -5.170 3.245
92 HD21 LEU 9 1HD2 LEU 9 3.018 -7.084 -0.022
93 HD22 LEU 9 2HD2 LEU 9 4.714 -7.130 -0.564
94 HD23 LEU 9 3HD2 LEU 9 4.226 -8.049 0.869
95 H GLY 10 H GLY 10 3.792 -1.564 -0.644
96 HA2 GLY 10 1HA GLY 10 5.912 -1.395 -2.666
97 HA3 GLY 10 2HA GLY 10 4.694 -0.169 -2.413
98 H ARG 11 H ARG 11 5.448 0.573 0.200
99 HA ARG 11 HA ARG 11 7.823 2.380 -0.233
100 HB2 ARG 11 2HB ARG 11 5.758 1.881 1.988
101 HB3 ARG 11 1HB ARG 11 7.273 2.469 2.512
102 HG2 ARG 11 2HG ARG 11 6.126 4.001 0.129
103 HG3 ARG 11 1HG ARG 11 5.189 4.059 1.620
104 HD2 ARG 11 2HD ARG 11 7.523 4.594 2.819
105 HD3 ARG 11 1HD ARG 11 8.145 4.908 1.192
106 HE ARG 11 HE ARG 11 5.786 6.493 1.276
107 HH11 ARG 11 1HH1 ARG 11 8.394 8.001 3.908
108 HH12 ARG 11 2HH1 ARG 11 8.584 6.287 3.309
109 HH21 ARG 11 1HH2 ARG 11 6.762 9.141 3.165
110 HH22 ARG 11 2HH2 ARG 11 5.586 8.440 1.963
111 H ILE 12 H ILE 12 7.274 -0.351 2.032
112 HA ILE 12 HA ILE 12 10.084 -0.475 2.951
113 HB ILE 12 HB ILE 12 8.006 -2.729 2.997
114 HG12 ILE 12 2HG1 ILE 12 8.518 -0.632 5.216
115 HG13 ILE 12 1HG1 ILE 12 7.128 -0.660 4.171
116 HG21 ILE 12 1HG2 ILE 12 9.374 -3.624 4.956
117 HG22 ILE 12 2HG2 ILE 12 10.345 -3.541 3.493
118 HG23 ILE 12 3HG2 ILE 12 10.542 -2.296 4.742
119 HD11 ILE 12 1HD1 ILE 12 6.083 -1.868 5.766
120 HD12 ILE 12 2HD1 ILE 12 6.982 -3.278 5.182
121 HD13 ILE 12 3HD1 ILE 12 7.602 -2.345 6.566
122 H LEU 13 H LEU 13 8.452 -2.007 0.221
123 HA LEU 13 HA LEU 13 10.385 -3.897 -0.695
124 HB2 LEU 13 2HB LEU 13 8.244 -2.137 -1.981
125 HB3 LEU 13 1HB LEU 13 9.448 -2.681 -3.074
126 HG LEU 13 HG LEU 13 7.683 -4.568 -1.421
127 HD11 LEU 13 1HD1 LEU 13 7.053 -5.043 -4.059
128 HD12 LEU 13 2HD1 LEU 13 6.232 -3.811 -3.093
129 HD13 LEU 13 3HD1 LEU 13 7.520 -3.346 -4.222
130 HD21 LEU 13 1HD2 LEU 13 8.810 -6.246 -3.225
131 HD22 LEU 13 2HD2 LEU 13 10.127 -5.050 -3.214
132 HD23 LEU 13 3HD2 LEU 13 9.635 -5.855 -1.711
133 HN1 NH2 14 1HN NH2 14 12.248 -0.547 -2.189
134 HN2 NH2 14 2HN NH2 14 10.408 -0.514 -1.999
Start of MODEL 2
1 H1 PHE 1 1H PHE 1 -13.110 6.999 1.662
2 H2 PHE 1 2H PHE 1 -13.657 5.779 0.676
3 H3 PHE 1 3H PHE 1 -13.087 5.420 2.165
4 HA PHE 1 HA PHE 1 -11.442 6.522 -0.044
5 HB2 PHE 1 2HB PHE 1 -9.556 6.460 1.369
6 HB3 PHE 1 1HB PHE 1 -10.763 7.232 2.330
7 HD1 PHE 1 HD1 PHE 1 -11.911 5.814 4.246
8 HD2 PHE 1 HD2 PHE 1 -8.465 4.411 2.079
9 HE1 PHE 1 HE1 PHE 1 -11.556 4.052 5.924
10 HE2 PHE 1 HE2 PHE 1 -8.132 2.654 3.761
11 HZ PHE 1 HZ PHE 1 -9.677 2.465 5.683
12 H VAL 2 H VAL 2 -9.592 4.925 -0.579
13 HA VAL 2 HA VAL 2 -10.704 2.104 -0.748
14 HB VAL 2 HB VAL 2 -10.542 3.233 -2.956
15 HG11 VAL 2 1HG1 VAL 2 -8.397 3.518 -4.129
16 HG12 VAL 2 2HG1 VAL 2 -8.311 4.457 -2.621
17 HG13 VAL 2 3HG1 VAL 2 -7.487 2.887 -2.736
18 HG21 VAL 2 1HG2 VAL 2 -9.553 1.257 -4.152
19 HG22 VAL 2 2HG2 VAL 2 -8.850 0.673 -2.630
20 HG23 VAL 2 3HG2 VAL 2 -10.620 0.760 -2.828
21 HA PH6 3 HA TCP 3 -6.978 1.118 1.792
22 HB2 PH6 3 1HB TCP 3 -8.103 -0.594 2.745
23 HB3 PH6 3 2HB TCP 3 -7.135 -1.653 1.734
24 HG2 PH6 3 HG TCP 3 -8.793 -1.870 0.062
25 HD2 PH6 3 1HD TCP 3 -10.515 0.476 0.879
26 HD3 PH6 3 2HD TCP 3 -10.030 -0.128 -0.717
27 H1 PH6 3 H19 TCP 3 -9.718 -3.007 2.034
28 H61 PH6 3 H20 TCP 3 -9.938 -1.172 3.698
29 H62 PH6 3 H21 TCP 3 -11.168 -0.372 2.739
30 H21 PH6 3 H17 TCP 3 -11.005 -3.097 -0.096
31 H22 PH6 3 H18 TCP 3 -11.852 -1.609 0.297
32 H51 PH6 3 H11 TCP 3 -12.227 -1.620 4.572
33 H52 PH6 3 H12 TCP 3 -11.408 -3.114 4.109
34 H41 PH6 3 H13 TCP 3 -13.777 -3.119 3.258
35 H42 PH6 3 H14 TCP 3 -13.510 -1.594 2.414
36 H31 PH6 3 H15 TCP 3 -13.333 -3.502 0.798
37 H32 PH6 3 H16 TCP 3 -12.103 -4.285 1.792
38 H TRP 4 H TRP 4 -5.064 1.470 0.960
39 HA TRP 4 HA TRP 4 -4.160 0.273 -1.682
40 HB2 TRP 4 1HB TRP 4 -2.990 2.501 0.091
41 HB3 TRP 4 2HB TRP 4 -2.260 1.882 -1.357
42 HD1 TRP 4 HD1 TRP 4 -5.279 4.035 -0.305
43 HE1 TRP 4 HE1 TRP 4 -6.206 5.414 -2.364
44 HE3 TRP 4 HE3 TRP 4 -2.446 1.742 -3.884
45 HZ2 TRP 4 HZ2 TRP 4 -5.617 5.403 -5.141
46 HZ3 TRP 4 HZ3 TRP 4 -2.657 2.486 -6.234
47 HH2 TRP 4 HH2 TRP 4 -4.229 4.275 -6.857
48 H PHE 5 H PHE 5 -3.948 -1.858 -0.899
49 HA PHE 5 HA PHE 5 -2.005 -2.671 1.116
50 HB2 PHE 5 2HB PHE 5 -2.761 -4.654 -1.074
51 HB3 PHE 5 1HB PHE 5 -2.447 -4.930 0.602
52 HD1 PHE 5 HD1 PHE 5 -4.302 -4.307 2.331
53 HD2 PHE 5 HD2 PHE 5 -4.964 -4.130 -1.916
54 HE1 PHE 5 HE1 PHE 5 -6.742 -4.344 2.695
55 HE2 PHE 5 HE2 PHE 5 -7.389 -4.142 -1.536
56 HZ PHE 5 HZ PHE 5 -8.284 -4.295 0.758
57 H SER 6 H SER 6 -1.739 -3.023 -2.422
58 HA SER 6 HA SER 6 1.081 -3.633 -2.707
59 HB2 SER 6 2HB SER 6 0.739 -2.544 -5.042
60 HB3 SER 6 1HB SER 6 -0.270 -3.914 -4.628
61 HG SER 6 HG SER 6 -1.095 -1.190 -4.337
62 H LYS 7 H LYS 7 -0.397 -0.435 -2.296
63 HA LYS 7 HA LYS 7 2.090 1.125 -2.713
64 HB2 LYS 7 2HB LYS 7 -0.524 1.875 -2.620
65 HB3 LYS 7 1HB LYS 7 -0.189 2.059 -0.907
66 HG2 LYS 7 2HG LYS 7 0.043 4.187 -1.878
67 HG3 LYS 7 1HG LYS 7 1.680 3.708 -1.512
68 HD2 LYS 7 2HD LYS 7 0.656 2.970 -4.322
69 HD3 LYS 7 1HD LYS 7 0.675 4.679 -3.967
70 HE2 LYS 7 2HE LYS 7 3.203 4.348 -3.208
71 HE3 LYS 7 1HE LYS 7 3.103 2.735 -3.911
72 HZ1 LYS 7 1HZ LYS 7 3.874 4.414 -5.599
73 HZ2 LYS 7 2HZ LYS 7 2.425 3.795 -6.077
74 HZ3 LYS 7 3HZ LYS 7 2.493 5.287 -5.410
75 H PHE 8 H PHE 8 0.619 -0.301 0.149
76 HA PHE 8 HA PHE 8 2.621 0.601 2.147
77 HB2 PHE 8 2HB PHE 8 0.225 -1.262 2.067
78 HB3 PHE 8 1HB PHE 8 1.511 -1.939 2.986
79 HD1 PHE 8 HD1 PHE 8 1.955 -1.185 5.205
80 HD2 PHE 8 HD2 PHE 8 -0.509 1.220 2.639
81 HE1 PHE 8 HE1 PHE 8 1.447 0.305 7.095
82 HE2 PHE 8 HE2 PHE 8 -1.035 2.699 4.542
83 HZ PHE 8 HZ PHE 8 -0.053 2.249 6.772
84 H LEU 9 H LEU 9 2.254 -2.579 0.510
85 HA LEU 9 HA LEU 9 4.873 -3.603 1.224
86 HB2 LEU 9 2HB LEU 9 2.729 -4.416 -0.689
87 HB3 LEU 9 1HB LEU 9 4.274 -4.595 -1.434
88 HG LEU 9 HG LEU 9 5.025 -5.859 0.794
89 HD11 LEU 9 1HD1 LEU 9 2.984 -5.308 2.164
90 HD12 LEU 9 2HD1 LEU 9 1.939 -6.115 0.972
91 HD13 LEU 9 3HD1 LEU 9 3.111 -7.062 1.919
92 HD21 LEU 9 1HD2 LEU 9 3.094 -7.117 -1.258
93 HD22 LEU 9 2HD2 LEU 9 4.860 -6.944 -1.417
94 HD23 LEU 9 3HD2 LEU 9 4.190 -8.014 -0.174
95 H GLY 10 H GLY 10 4.106 -1.663 -1.707
96 HA2 GLY 10 1HA GLY 10 6.757 -1.495 -2.880
97 HA3 GLY 10 2HA GLY 10 5.555 -0.232 -2.987
98 H ARG 11 H ARG 11 5.443 0.635 -0.352
99 HA ARG 11 HA ARG 11 7.960 2.227 0.018
100 HB2 ARG 11 2HB ARG 11 5.258 1.998 1.451
101 HB3 ARG 11 1HB ARG 11 6.569 2.642 2.374
102 HG2 ARG 11 2HG ARG 11 6.067 3.816 -0.422
103 HG3 ARG 11 1HG ARG 11 4.996 4.251 0.907
104 HD2 ARG 11 2HD ARG 11 6.887 5.050 2.303
105 HD3 ARG 11 1HD ARG 11 8.077 4.515 1.097
106 HE ARG 11 HE ARG 11 6.270 6.326 -0.277
107 HH11 ARG 11 1HH1 ARG 11 9.008 8.251 1.920
108 HH12 ARG 11 2HH1 ARG 11 8.620 6.500 2.278
109 HH21 ARG 11 1HH2 ARG 11 7.977 9.209 0.317
110 HH22 ARG 11 2HH2 ARG 11 6.736 8.317 -0.672
111 H ILE 12 H ILE 12 6.499 -0.411 1.976
112 HA ILE 12 HA ILE 12 8.818 -0.610 3.805
113 HB ILE 12 HB ILE 12 6.727 -2.766 3.259
114 HG12 ILE 12 2HG1 ILE 12 6.545 -0.559 5.407
115 HG13 ILE 12 1HG1 ILE 12 5.596 -0.628 3.948
116 HG21 ILE 12 1HG2 ILE 12 9.064 -2.747 5.099
117 HG22 ILE 12 2HG2 ILE 12 7.590 -2.889 6.040
118 HG23 ILE 12 3HG2 ILE 12 7.914 -4.046 4.740
119 HD11 ILE 12 1HD1 ILE 12 4.120 -1.508 5.571
120 HD12 ILE 12 2HD1 ILE 12 4.695 -2.968 4.729
121 HD13 ILE 12 3HD1 ILE 12 5.352 -2.528 6.327
122 H LEU 13 H LEU 13 8.148 -2.297 0.730
123 HA LEU 13 HA LEU 13 10.253 -4.185 0.537
124 HB2 LEU 13 2HB LEU 13 8.767 -2.374 -1.404
125 HB3 LEU 13 1HB LEU 13 10.244 -2.970 -2.034
126 HG LEU 13 HG LEU 13 8.187 -4.920 -0.851
127 HD11 LEU 13 1HD1 LEU 13 6.909 -3.894 -2.597
128 HD12 LEU 13 2HD1 LEU 13 8.310 -3.654 -3.661
129 HD13 LEU 13 3HD1 LEU 13 7.627 -5.278 -3.422
130 HD21 LEU 13 1HD2 LEU 13 9.413 -6.580 -2.255
131 HD22 LEU 13 2HD2 LEU 13 10.454 -5.305 -2.936
132 HD23 LEU 13 3HD2 LEU 13 10.590 -5.747 -1.219
133 HN1 NH2 14 1HN NH2 14 12.653 -0.908 -0.082
134 HN2 NH2 14 2HN NH2 14 10.847 -0.718 -0.406
Start of MODEL 3
1 H1 PHE 1 1H PHE 1 -11.119 7.501 3.018
2 H2 PHE 1 2H PHE 1 -11.688 6.931 1.563
3 H3 PHE 1 3H PHE 1 -11.652 5.942 2.864
4 HA PHE 1 HA PHE 1 -9.237 7.040 1.537
5 HB2 PHE 1 2HB PHE 1 -7.908 5.722 3.053
6 HB3 PHE 1 1HB PHE 1 -8.956 6.704 4.012
7 HD1 PHE 1 HD1 PHE 1 -10.880 5.604 5.303
8 HD2 PHE 1 HD2 PHE 1 -8.074 3.236 3.050
9 HE1 PHE 1 HE1 PHE 1 -11.713 3.562 6.388
10 HE2 PHE 1 HE2 PHE 1 -8.917 1.208 4.150
11 HZ PHE 1 HZ PHE 1 -10.741 1.363 5.814
12 H VAL 2 H VAL 2 -7.818 5.164 0.709
13 HA VAL 2 HA VAL 2 -9.568 3.110 -0.687
14 HB VAL 2 HB VAL 2 -8.575 4.836 -2.210
15 HG11 VAL 2 1HG1 VAL 2 -6.229 4.676 -2.939
16 HG12 VAL 2 2HG1 VAL 2 -6.219 4.957 -1.183
17 HG13 VAL 2 3HG1 VAL 2 -5.919 3.331 -1.816
18 HG21 VAL 2 1HG2 VAL 2 -7.805 1.917 -2.838
19 HG22 VAL 2 2HG2 VAL 2 -9.418 2.642 -3.064
20 HG23 VAL 2 3HG2 VAL 2 -8.045 3.228 -4.015
21 HA PH6 3 HA TCP 3 -6.899 0.123 1.641
22 HB2 PH6 3 1HB TCP 3 -8.678 -1.269 1.752
23 HB3 PH6 3 2HB TCP 3 -7.837 -2.222 0.543
24 HG2 PH6 3 HG TCP 3 -9.039 -1.328 -1.278
25 HD2 PH6 3 1HD TCP 3 -10.211 1.078 0.133
26 HD3 PH6 3 2HD TCP 3 -9.512 0.895 -1.489
27 H1 PH6 3 H19 TCP 3 -12.755 -2.829 1.668
28 H61 PH6 3 H20 TCP 3 -14.772 -1.752 0.619
29 H62 PH6 3 H21 TCP 3 -13.910 -0.223 0.453
30 H21 PH6 3 H17 TCP 3 -11.456 -0.050 1.474
31 H22 PH6 3 H18 TCP 3 -13.209 -1.379 2.567
32 H51 PH6 3 H11 TCP 3 -13.903 -1.443 -1.736
33 H52 PH6 3 H12 TCP 3 -13.196 -2.874 -0.985
34 H41 PH6 3 H13 TCP 3 -11.416 -1.582 -2.147
35 H42 PH6 3 H14 TCP 3 -11.883 -0.112 -1.307
36 H31 PH6 3 H15 TCP 3 -10.669 -2.644 -0.022
37 H32 PH6 3 H16 TCP 3 -10.753 -1.487 2.190
38 H TRP 4 H TRP 4 -5.045 0.962 0.703
39 HA TRP 4 HA TRP 4 -3.909 -0.096 -1.826
40 HB2 TRP 4 2HB TRP 4 -2.880 1.668 0.463
41 HB3 TRP 4 1HB TRP 4 -1.744 1.031 -0.665
42 HD1 TRP 4 HD1 TRP 4 -3.579 1.395 -3.467
43 HE1 TRP 4 HE1 TRP 4 -3.839 3.790 -4.529
44 HE3 TRP 4 HE3 TRP 4 -2.560 4.035 0.788
45 HZ2 TRP 4 HZ2 TRP 4 -3.552 6.412 -3.505
46 HZ3 TRP 4 HZ3 TRP 4 -2.632 6.505 0.693
47 HH2 TRP 4 HH2 TRP 4 -3.131 7.678 -1.416
48 H PHE 5 H PHE 5 -3.837 -2.249 -1.790
49 HA PHE 5 HA PHE 5 -2.510 -3.838 0.294
50 HB2 PHE 5 2HB PHE 5 -3.144 -4.914 -2.504
51 HB3 PHE 5 1HB PHE 5 -3.028 -5.791 -1.015
52 HD1 PHE 5 HD1 PHE 5 -4.875 -4.907 0.892
53 HD2 PHE 5 HD2 PHE 5 -5.293 -4.558 -3.378
54 HE1 PHE 5 HE1 PHE 5 -7.325 -4.775 1.127
55 HE2 PHE 5 HE2 PHE 5 -7.731 -4.414 -3.122
56 HZ PHE 5 HZ PHE 5 -8.754 -4.524 -0.876
57 H SER 6 H SER 6 -1.575 -3.745 -3.138
58 HA SER 6 HA SER 6 1.296 -4.372 -2.698
59 HB2 SER 6 2HB SER 6 0.112 -4.990 -4.790
60 HB3 SER 6 1HB SER 6 -0.269 -3.302 -5.138
61 HG SER 6 HG SER 6 2.302 -4.526 -5.096
62 H LYS 7 H LYS 7 -0.387 -1.284 -3.325
63 HA LYS 7 HA LYS 7 1.905 0.512 -3.338
64 HB2 LYS 7 2HB LYS 7 -1.072 0.733 -2.812
65 HB3 LYS 7 1HB LYS 7 -0.155 2.016 -2.104
66 HG2 LYS 7 2HG LYS 7 0.125 1.272 -5.084
67 HG3 LYS 7 1HG LYS 7 -1.101 2.368 -4.466
68 HD2 LYS 7 2HD LYS 7 0.585 3.872 -3.453
69 HD3 LYS 7 1HD LYS 7 1.912 2.839 -3.985
70 HE2 LYS 7 2HE LYS 7 1.521 3.276 -6.349
71 HE3 LYS 7 1HE LYS 7 -0.101 3.916 -6.075
72 HZ1 LYS 7 1HZ LYS 7 1.533 5.770 -6.363
73 HZ2 LYS 7 2HZ LYS 7 0.880 5.828 -4.856
74 HZ3 LYS 7 3HZ LYS 7 2.404 5.259 -5.059
75 H PHE 8 H PHE 8 0.262 -0.795 -0.501
76 HA PHE 8 HA PHE 8 1.914 0.654 1.525
77 HB2 PHE 8 2HB PHE 8 -0.206 -1.505 1.560
78 HB3 PHE 8 1HB PHE 8 1.042 -1.849 2.661
79 HD1 PHE 8 HD1 PHE 8 -0.798 1.343 1.656
80 HD2 PHE 8 HD2 PHE 8 0.653 -1.154 4.838
81 HE1 PHE 8 HE1 PHE 8 -1.644 2.956 3.317
82 HE2 PHE 8 HE2 PHE 8 -0.192 0.456 6.486
83 HZ PHE 8 HZ PHE 8 -1.335 2.520 5.735
84 H LEU 9 H LEU 9 2.055 -2.738 0.367
85 HA LEU 9 HA LEU 9 4.663 -3.348 1.473
86 HB2 LEU 9 2HB LEU 9 2.796 -4.656 -0.447
87 HB3 LEU 9 1HB LEU 9 4.416 -4.780 -1.040
88 HG LEU 9 HG LEU 9 5.140 -5.685 1.288
89 HD11 LEU 9 1HD1 LEU 9 2.076 -6.017 1.646
90 HD12 LEU 9 2HD1 LEU 9 3.339 -6.679 2.713
91 HD13 LEU 9 3HD1 LEU 9 3.103 -4.926 2.602
92 HD21 LEU 9 1HD2 LEU 9 4.942 -7.171 -0.655
93 HD22 LEU 9 2HD2 LEU 9 4.223 -8.000 0.738
94 HD23 LEU 9 3HD2 LEU 9 3.170 -7.262 -0.496
95 H GLY 10 H GLY 10 4.028 -1.931 -1.765
96 HA2 GLY 10 1HA GLY 10 6.767 -1.593 -2.689
97 HA3 GLY 10 2HA GLY 10 5.450 -0.519 -3.095
98 H ARG 11 H ARG 11 4.938 0.675 -0.627
99 HA ARG 11 HA ARG 11 7.228 2.574 -0.246
100 HB2 ARG 11 2HB ARG 11 4.424 2.264 0.932
101 HB3 ARG 11 1HB ARG 11 5.564 3.117 1.915
102 HG2 ARG 11 2HG ARG 11 5.041 3.919 -1.015
103 HG3 ARG 11 1HG ARG 11 4.100 4.505 0.338
104 HD2 ARG 11 2HD ARG 11 5.613 6.262 0.392
105 HD3 ARG 11 1HD ARG 11 6.520 5.182 1.396
106 HE ARG 11 HE ARG 11 8.201 4.966 -0.309
107 HH11 ARG 11 1HH1 ARG 11 6.209 6.711 -3.307
108 HH12 ARG 11 2HH1 ARG 11 5.354 6.288 -1.737
109 HH21 ARG 11 1HH2 ARG 11 8.282 6.216 -3.472
110 HH22 ARG 11 2HH2 ARG 11 9.173 5.431 -2.093
111 H ILE 12 H ILE 12 5.811 0.094 1.929
112 HA ILE 12 HA ILE 12 7.904 0.403 3.992
113 HB ILE 12 HB ILE 12 6.112 -2.030 3.561
114 HG12 ILE 12 2HG1 ILE 12 5.443 0.421 5.310
115 HG13 ILE 12 1HG1 ILE 12 4.702 0.038 3.785
116 HG21 ILE 12 1HG2 ILE 12 7.246 -2.939 5.330
117 HG22 ILE 12 2HG2 ILE 12 8.179 -1.465 5.632
118 HG23 ILE 12 3HG2 ILE 12 6.612 -1.680 6.400
119 HD11 ILE 12 1HD1 ILE 12 4.170 -2.367 5.060
120 HD12 ILE 12 2HD1 ILE 12 4.157 -1.239 6.436
121 HD13 ILE 12 3HD1 ILE 12 3.076 -0.967 5.052
122 H LEU 13 H LEU 13 7.775 -1.772 1.154
123 HA LEU 13 HA LEU 13 10.097 -3.370 1.456
124 HB2 LEU 13 2HB LEU 13 8.695 -2.017 -0.888
125 HB3 LEU 13 1HB LEU 13 10.291 -2.541 -1.244
126 HG LEU 13 HG LEU 13 8.248 -4.482 -0.028
127 HD11 LEU 13 1HD1 LEU 13 8.128 -5.311 -2.550
128 HD12 LEU 13 2HD1 LEU 13 7.186 -3.889 -2.093
129 HD13 LEU 13 3HD1 LEU 13 8.717 -3.688 -2.970
130 HD21 LEU 13 1HD2 LEU 13 10.716 -5.146 -1.767
131 HD22 LEU 13 2HD2 LEU 13 10.850 -4.998 -0.005
132 HD23 LEU 13 3HD2 LEU 13 9.778 -6.224 -0.703
133 HN1 NH2 14 1HN NH2 14 12.119 0.122 0.878
134 HN2 NH2 14 2HN NH2 14 10.306 0.117 0.570
Start of MODEL 4
1 H1 PHE 1 1H PHE 1 -11.148 7.646 2.694
2 H2 PHE 1 2H PHE 1 -11.396 7.122 1.127
3 H3 PHE 1 3H PHE 1 -11.845 6.181 2.382
4 HA PHE 1 HA PHE 1 -9.022 6.818 1.748
5 HB2 PHE 1 2HB PHE 1 -8.421 5.192 3.500
6 HB3 PHE 1 1HB PHE 1 -9.260 6.547 4.175
7 HD1 PHE 1 HD1 PHE 1 -11.728 6.260 4.901
8 HD2 PHE 1 HD2 PHE 1 -9.317 2.884 3.720
9 HE1 PHE 1 HE1 PHE 1 -13.387 4.728 5.853
10 HE2 PHE 1 HE2 PHE 1 -10.972 1.372 4.736
11 HZ PHE 1 HZ PHE 1 -13.010 2.289 5.790
12 H VAL 2 H VAL 2 -7.839 5.127 0.738
13 HA VAL 2 HA VAL 2 -9.573 3.048 -0.626
14 HB VAL 2 HB VAL 2 -8.609 4.798 -2.144
15 HG11 VAL 2 1HG1 VAL 2 -5.956 3.267 -1.838
16 HG12 VAL 2 2HG1 VAL 2 -6.267 4.706 -2.843
17 HG13 VAL 2 3HG1 VAL 2 -6.227 4.832 -1.066
18 HG21 VAL 2 1HG2 VAL 2 -8.069 3.169 -3.956
19 HG22 VAL 2 2HG2 VAL 2 -7.857 1.870 -2.763
20 HG23 VAL 2 3HG2 VAL 2 -9.456 2.616 -3.006
21 HA PH6 3 HA TCP 3 -6.856 0.055 1.657
22 HB2 PH6 3 1HB TCP 3 -8.593 -1.395 1.699
23 HB3 PH6 3 2HB TCP 3 -7.736 -2.264 0.445
24 HG2 PH6 3 HG TCP 3 -8.970 -1.318 -1.334
25 HD2 PH6 3 1HD TCP 3 -10.173 1.020 0.166
26 HD3 PH6 3 2HD TCP 3 -9.486 0.893 -1.456
27 H1 PH6 3 H19 TCP 3 -10.582 -2.675 -0.067
28 H61 PH6 3 H20 TCP 3 -10.631 -1.474 2.160
29 H62 PH6 3 H21 TCP 3 -11.395 -0.076 1.437
30 H21 PH6 3 H17 TCP 3 -11.349 -1.577 -2.181
31 H22 PH6 3 H18 TCP 3 -11.831 -0.130 -1.309
32 H51 PH6 3 H11 TCP 3 -13.066 -1.450 2.572
33 H52 PH6 3 H12 TCP 3 -12.596 -2.884 1.652
34 H41 PH6 3 H13 TCP 3 -14.656 -1.815 0.644
35 H42 PH6 3 H14 TCP 3 -13.804 -0.281 0.466
36 H31 PH6 3 H15 TCP 3 -13.831 -1.526 -1.728
37 H32 PH6 3 H16 TCP 3 -13.068 -2.928 -0.975
38 H TRP 4 H TRP 4 -5.009 0.915 0.775
39 HA TRP 4 HA TRP 4 -3.894 -0.053 -1.830
40 HB2 TRP 4 1HB TRP 4 -2.879 1.697 0.469
41 HB3 TRP 4 2HB TRP 4 -1.750 1.063 -0.666
42 HD1 TRP 4 HD1 TRP 4 -3.521 1.440 -3.473
43 HE1 TRP 4 HE1 TRP 4 -3.868 3.841 -4.500
44 HE3 TRP 4 HE3 TRP 4 -2.626 4.038 0.826
45 HZ2 TRP 4 HZ2 TRP 4 -3.661 6.457 -3.430
46 HZ3 TRP 4 HZ3 TRP 4 -2.743 6.505 0.772
47 HH2 TRP 4 HH2 TRP 4 -3.272 7.702 -1.319
48 H PHE 5 H PHE 5 -3.930 -2.224 -1.700
49 HA PHE 5 HA PHE 5 -2.568 -3.812 0.317
50 HB2 PHE 5 2HB PHE 5 -3.165 -4.843 -2.525
51 HB3 PHE 5 1HB PHE 5 -3.012 -5.758 -1.064
52 HD1 PHE 5 HD1 PHE 5 -4.901 -5.642 0.678
53 HD2 PHE 5 HD2 PHE 5 -5.244 -3.757 -3.172
54 HE1 PHE 5 HE1 PHE 5 -7.348 -5.518 0.945
55 HE2 PHE 5 HE2 PHE 5 -7.679 -3.623 -2.888
56 HZ PHE 5 HZ PHE 5 -8.742 -4.519 -0.843
57 H SER 6 H SER 6 -1.632 -3.709 -3.078
58 HA SER 6 HA SER 6 1.243 -4.329 -2.635
59 HB2 SER 6 2HB SER 6 -0.570 -4.025 -4.998
60 HB3 SER 6 1HB SER 6 0.904 -3.129 -5.265
61 HG SER 6 HG SER 6 0.569 -5.793 -5.238
62 H LYS 7 H LYS 7 -0.458 -1.294 -3.230
63 HA LYS 7 HA LYS 7 1.840 0.526 -3.344
64 HB2 LYS 7 2HB LYS 7 -1.130 0.748 -2.914
65 HB3 LYS 7 1HB LYS 7 -0.283 1.922 -1.961
66 HG2 LYS 7 2HG LYS 7 0.264 1.585 -4.948
67 HG3 LYS 7 1HG LYS 7 -1.003 2.630 -4.335
68 HD2 LYS 7 2HD LYS 7 0.431 4.167 -3.252
69 HD3 LYS 7 1HD LYS 7 1.726 3.036 -3.029
70 HE2 LYS 7 2HE LYS 7 2.830 3.695 -4.877
71 HE3 LYS 7 1HE LYS 7 1.534 3.147 -5.912
72 HZ1 LYS 7 1HZ LYS 7 1.845 5.583 -6.221
73 HZ2 LYS 7 2HZ LYS 7 0.374 5.359 -5.524
74 HZ3 LYS 7 3HZ LYS 7 1.631 5.889 -4.619
75 H PHE 8 H PHE 8 0.304 -0.854 -0.511
76 HA PHE 8 HA PHE 8 1.917 0.652 1.518
77 HB2 PHE 8 2HB PHE 8 -0.098 -1.655 1.543
78 HB3 PHE 8 1HB PHE 8 1.100 -1.739 2.754
79 HD1 PHE 8 HD1 PHE 8 0.257 -1.055 4.787
80 HD2 PHE 8 HD2 PHE 8 -0.713 1.301 1.336
81 HE1 PHE 8 HE1 PHE 8 -0.893 0.573 6.219
82 HE2 PHE 8 HE2 PHE 8 -1.874 2.928 2.768
83 HZ PHE 8 HZ PHE 8 -1.966 2.572 5.217
84 H LEU 9 H LEU 9 2.060 -2.731 0.384
85 HA LEU 9 HA LEU 9 4.664 -3.360 1.508
86 HB2 LEU 9 2HB LEU 9 2.746 -4.596 -0.399
87 HB3 LEU 9 1HB LEU 9 4.309 -4.755 -1.067
88 HG LEU 9 HG LEU 9 4.140 -5.470 1.901
89 HD11 LEU 9 1HD1 LEU 9 2.976 -7.358 -0.230
90 HD12 LEU 9 2HD1 LEU 9 3.082 -7.607 1.535
91 HD13 LEU 9 3HD1 LEU 9 1.992 -6.373 0.884
92 HD21 LEU 9 1HD2 LEU 9 5.572 -6.657 -0.579
93 HD22 LEU 9 2HD2 LEU 9 6.312 -5.782 0.778
94 HD23 LEU 9 3HD2 LEU 9 5.626 -7.398 1.032
95 H GLY 10 H GLY 10 3.980 -1.868 -1.635
96 HA2 GLY 10 1HA GLY 10 6.733 -1.627 -2.647
97 HA3 GLY 10 2HA GLY 10 5.423 -0.543 -3.059
98 H ARG 11 H ARG 11 4.952 0.595 -0.538
99 HA ARG 11 HA ARG 11 7.252 2.510 -0.268
100 HB2 ARG 11 2HB ARG 11 4.434 2.319 0.927
101 HB3 ARG 11 1HB ARG 11 5.601 3.134 1.914
102 HG2 ARG 11 2HG ARG 11 5.129 3.905 -1.017
103 HG3 ARG 11 1HG ARG 11 4.267 4.654 0.312
104 HD2 ARG 11 2HD ARG 11 7.372 4.588 0.210
105 HD3 ARG 11 1HD ARG 11 6.472 5.836 -0.636
106 HE ARG 11 HE ARG 11 5.379 6.024 1.972
107 HH11 ARG 11 1HH1 ARG 11 9.236 6.981 2.291
108 HH12 ARG 11 2HH1 ARG 11 8.682 5.913 0.919
109 HH21 ARG 11 1HH2 ARG 11 7.787 7.693 3.664
110 HH22 ARG 11 2HH2 ARG 11 6.030 7.248 3.500
111 H ILE 12 H ILE 12 5.841 0.105 1.923
112 HA ILE 12 HA ILE 12 7.907 0.405 4.033
113 HB ILE 12 HB ILE 12 6.139 -2.042 3.500
114 HG12 ILE 12 2HG1 ILE 12 5.442 0.406 5.259
115 HG13 ILE 12 1HG1 ILE 12 4.682 -0.017 3.751
116 HG21 ILE 12 1HG2 ILE 12 7.521 -1.091 6.116
117 HG22 ILE 12 2HG2 ILE 12 6.482 -2.532 5.964
118 HG23 ILE 12 3HG2 ILE 12 8.027 -2.477 5.128
119 HD11 ILE 12 1HD1 ILE 12 4.262 -1.321 6.428
120 HD12 ILE 12 2HD1 ILE 12 3.087 -0.971 5.132
121 HD13 ILE 12 3HD1 ILE 12 4.158 -2.388 5.008
122 H LEU 13 H LEU 13 7.763 -1.651 1.142
123 HA LEU 13 HA LEU 13 9.997 -3.381 1.469
124 HB2 LEU 13 2HB LEU 13 8.620 -2.014 -0.876
125 HB3 LEU 13 1HB LEU 13 10.217 -2.512 -1.241
126 HG LEU 13 HG LEU 13 8.177 -4.487 -0.073
127 HD11 LEU 13 1HD1 LEU 13 8.725 -3.613 -2.978
128 HD12 LEU 13 2HD1 LEU 13 8.189 -5.272 -2.636
129 HD13 LEU 13 3HD1 LEU 13 7.173 -3.905 -2.164
130 HD21 LEU 13 1HD2 LEU 13 9.758 -6.202 -0.740
131 HD22 LEU 13 2HD2 LEU 13 10.733 -5.069 -1.716
132 HD23 LEU 13 3HD2 LEU 13 10.764 -4.980 0.053
133 HN1 NH2 14 1HN NH2 14 12.088 0.062 0.845
134 HN2 NH2 14 2HN NH2 14 10.299 0.020 0.418
Start of MODEL 5
1 H1 PHE 1 1H PHE 1 -11.910 7.733 1.389
2 H2 PHE 1 2H PHE 1 -12.659 6.496 0.560
3 H3 PHE 1 3H PHE 1 -12.086 6.229 2.060
4 HA PHE 1 HA PHE 1 -10.367 6.797 -0.294
5 HB2 PHE 1 2HB PHE 1 -8.451 6.412 1.146
6 HB3 PHE 1 1HB PHE 1 -9.391 7.685 1.844
7 HD1 PHE 1 HD1 PHE 1 -10.639 7.272 4.021
8 HD2 PHE 1 HD2 PHE 1 -8.217 4.165 2.267
9 HE1 PHE 1 HE1 PHE 1 -10.785 5.966 6.095
10 HE2 PHE 1 HE2 PHE 1 -8.374 2.883 4.355
11 HZ PHE 1 HZ PHE 1 -9.653 3.778 6.271
12 H VAL 2 H VAL 2 -8.887 4.908 -0.768
13 HA VAL 2 HA VAL 2 -10.404 2.302 -0.461
14 HB VAL 2 HB VAL 2 -10.239 3.210 -2.796
15 HG11 VAL 2 1HG1 VAL 2 -7.333 2.192 -2.736
16 HG12 VAL 2 2HG1 VAL 2 -8.181 2.968 -4.096
17 HG13 VAL 2 3HG1 VAL 2 -7.724 3.914 -2.657
18 HG21 VAL 2 1HG2 VAL 2 -10.787 0.814 -2.301
19 HG22 VAL 2 2HG2 VAL 2 -9.894 0.984 -3.816
20 HG23 VAL 2 3HG2 VAL 2 -9.057 0.395 -2.362
21 HA PH6 3 HA TCP 3 -6.637 0.909 1.881
22 HB2 PH6 3 1HB TCP 3 -7.957 -0.491 3.078
23 HB3 PH6 3 2HB TCP 3 -7.301 -1.784 2.089
24 HG2 PH6 3 HG TCP 3 -9.111 -1.835 0.590
25 HD2 PH6 3 1HD TCP 3 -10.347 0.842 1.260
26 HD3 PH6 3 2HD TCP 3 -10.074 0.024 -0.282
27 H1 PH6 3 H19 TCP 3 -10.026 -2.553 2.756
28 H61 PH6 3 H20 TCP 3 -9.752 -0.459 4.155
29 H62 PH6 3 H21 TCP 3 -10.949 0.385 3.197
30 H21 PH6 3 H17 TCP 3 -11.514 -2.615 0.746
31 H22 PH6 3 H18 TCP 3 -12.048 -0.966 1.032
32 H51 PH6 3 H11 TCP 3 -11.954 -0.416 5.277
33 H52 PH6 3 H12 TCP 3 -11.446 -2.078 4.948
34 H41 PH6 3 H13 TCP 3 -13.870 -1.744 4.304
35 H42 PH6 3 H14 TCP 3 -13.429 -0.413 3.234
36 H31 PH6 3 H15 TCP 3 -13.753 -2.531 1.904
37 H32 PH6 3 H16 TCP 3 -12.551 -3.368 2.888
38 H TRP 4 H TRP 4 -5.307 1.408 0.142
39 HA TRP 4 HA TRP 4 -4.686 -0.622 -1.968
40 HB2 TRP 4 1HB TRP 4 -3.361 2.015 -1.158
41 HB3 TRP 4 2HB TRP 4 -2.634 0.911 -2.317
42 HD1 TRP 4 HD1 TRP 4 -5.029 -0.020 -4.158
43 HE1 TRP 4 HE1 TRP 4 -6.113 1.621 -5.916
44 HE3 TRP 4 HE3 TRP 4 -3.614 4.321 -1.855
45 HZ2 TRP 4 HZ2 TRP 4 -6.189 4.444 -6.146
46 HZ3 TRP 4 HZ3 TRP 4 -4.201 6.479 -2.921
47 HH2 TRP 4 HH2 TRP 4 -5.488 6.541 -5.024
48 H PHE 5 H PHE 5 -4.219 -2.471 -0.987
49 HA PHE 5 HA PHE 5 -2.247 -2.982 1.040
50 HB2 PHE 5 2HB PHE 5 -2.849 -5.002 -1.194
51 HB3 PHE 5 1HB PHE 5 -2.348 -5.337 0.436
52 HD1 PHE 5 HD1 PHE 5 -5.116 -5.338 -1.714
53 HD2 PHE 5 HD2 PHE 5 -4.099 -4.305 2.336
54 HE1 PHE 5 HE1 PHE 5 -7.471 -5.566 -1.061
55 HE2 PHE 5 HE2 PHE 5 -6.468 -4.529 2.977
56 HZ PHE 5 HZ PHE 5 -8.157 -5.167 1.283
57 H SER 6 H SER 6 -1.801 -3.226 -2.453
58 HA SER 6 HA SER 6 1.074 -3.671 -2.655
59 HB2 SER 6 2HB SER 6 0.704 -2.305 -4.921
60 HB3 SER 6 1HB SER 6 0.066 -3.923 -4.721
61 HG SER 6 HG SER 6 -1.625 -2.797 -5.461
62 H LYS 7 H LYS 7 -0.657 -0.620 -2.215
63 HA LYS 7 HA LYS 7 1.684 1.186 -2.322
64 HB2 LYS 7 2HB LYS 7 -1.010 1.364 -0.841
65 HB3 LYS 7 1HB LYS 7 0.175 2.568 -0.519
66 HG2 LYS 7 2HG LYS 7 -0.838 1.947 -3.351
67 HG3 LYS 7 1HG LYS 7 -1.508 3.204 -2.328
68 HD2 LYS 7 2HD LYS 7 0.364 4.613 -2.414
69 HD3 LYS 7 1HD LYS 7 1.519 3.346 -2.631
70 HE2 LYS 7 2HE LYS 7 1.574 3.468 -4.883
71 HE3 LYS 7 1HE LYS 7 -0.145 3.194 -5.043
72 HZ1 LYS 7 1HZ LYS 7 0.413 5.462 -5.878
73 HZ2 LYS 7 2HZ LYS 7 -0.533 5.625 -4.545
74 HZ3 LYS 7 3HZ LYS 7 1.083 5.898 -4.441
75 H PHE 8 H PHE 8 0.505 -0.787 0.304
76 HA PHE 8 HA PHE 8 2.448 0.232 2.298
77 HB2 PHE 8 2HB PHE 8 0.220 -1.761 2.279
78 HB3 PHE 8 1HB PHE 8 1.614 -2.537 2.923
79 HD1 PHE 8 HD1 PHE 8 -1.136 -1.170 4.103
80 HD2 PHE 8 HD2 PHE 8 3.092 -0.474 4.450
81 HE1 PHE 8 HE1 PHE 8 -1.478 -0.127 6.306
82 HE2 PHE 8 HE2 PHE 8 2.747 0.577 6.633
83 HZ PHE 8 HZ PHE 8 0.461 0.760 7.576
84 H LEU 9 H LEU 9 2.339 -2.821 0.465
85 HA LEU 9 HA LEU 9 5.067 -3.675 1.040
86 HB2 LEU 9 2HB LEU 9 2.882 -4.510 -0.806
87 HB3 LEU 9 1HB LEU 9 4.387 -4.519 -1.666
88 HG LEU 9 HG LEU 9 5.447 -6.011 0.020
89 HD11 LEU 9 1HD1 LEU 9 4.606 -6.081 2.136
90 HD12 LEU 9 2HD1 LEU 9 3.059 -5.347 1.690
91 HD13 LEU 9 3HD1 LEU 9 3.284 -7.098 1.550
92 HD21 LEU 9 1HD2 LEU 9 2.865 -6.818 -1.434
93 HD22 LEU 9 2HD2 LEU 9 4.562 -7.176 -1.830
94 HD23 LEU 9 3HD2 LEU 9 3.769 -8.022 -0.494
95 H GLY 10 H GLY 10 3.980 -1.506 -1.536
96 HA2 GLY 10 1HA GLY 10 6.560 -1.074 -2.900
97 HA3 GLY 10 2HA GLY 10 5.252 0.088 -2.850
98 H ARG 11 H ARG 11 5.225 0.616 -0.093
99 HA ARG 11 HA ARG 11 7.577 2.483 0.265
100 HB2 ARG 11 2HB ARG 11 5.124 1.730 1.984
101 HB3 ARG 11 1HB ARG 11 6.387 2.703 2.642
102 HG2 ARG 11 2HG ARG 11 5.122 3.594 -0.026
103 HG3 ARG 11 1HG ARG 11 4.226 3.776 1.474
104 HD2 ARG 11 2HD ARG 11 6.627 4.840 2.338
105 HD3 ARG 11 1HD ARG 11 6.876 5.111 0.613
106 HE ARG 11 HE ARG 11 4.247 6.131 1.050
107 HH11 ARG 11 1HH1 ARG 11 6.736 8.377 3.228
108 HH12 ARG 11 2HH1 ARG 11 7.251 6.716 2.668
109 HH21 ARG 11 1HH2 ARG 11 4.803 9.063 2.663
110 HH22 ARG 11 2HH2 ARG 11 3.683 8.022 1.670
111 H ILE 12 H ILE 12 6.427 -0.409 2.036
112 HA ILE 12 HA ILE 12 8.801 -0.600 3.806
113 HB ILE 12 HB ILE 12 6.883 -2.855 3.048
114 HG12 ILE 12 2HG1 ILE 12 6.517 -0.872 5.378
115 HG13 ILE 12 1HG1 ILE 12 5.536 -0.965 3.940
116 HG21 ILE 12 1HG2 ILE 12 7.830 -3.151 5.809
117 HG22 ILE 12 2HG2 ILE 12 8.180 -4.168 4.399
118 HG23 ILE 12 3HG2 ILE 12 9.248 -2.829 4.828
119 HD11 ILE 12 1HD1 ILE 12 5.536 -2.888 6.278
120 HD12 ILE 12 2HD1 ILE 12 4.165 -2.233 5.367
121 HD13 ILE 12 3HD1 ILE 12 5.133 -3.551 4.677
122 H LEU 13 H LEU 13 8.139 -1.950 0.593
123 HA LEU 13 HA LEU 13 10.343 -3.714 0.179
124 HB2 LEU 13 2HB LEU 13 8.683 -1.851 -1.567
125 HB3 LEU 13 1HB LEU 13 10.194 -2.261 -2.266
126 HG LEU 13 HG LEU 13 8.246 -4.421 -1.282
127 HD11 LEU 13 1HD1 LEU 13 7.916 -4.641 -3.931
128 HD12 LEU 13 2HD1 LEU 13 7.031 -3.379 -3.060
129 HD13 LEU 13 3HD1 LEU 13 8.491 -2.962 -3.985
130 HD21 LEU 13 1HD2 LEU 13 9.697 -6.005 -2.267
131 HD22 LEU 13 2HD2 LEU 13 10.433 -4.840 -3.399
132 HD23 LEU 13 3HD2 LEU 13 10.903 -4.845 -1.696
133 HN1 NH2 14 1HN NH2 14 12.431 -0.236 0.157
134 HN2 NH2 14 2HN NH2 14 10.600 -0.169 0.110
Start of MODEL 6
1 H1 PHE 1 1H PHE 1 -10.984 7.742 2.732
2 H2 PHE 1 2H PHE 1 -11.315 7.246 1.171
3 H3 PHE 1 3H PHE 1 -11.697 6.283 2.430
4 HA PHE 1 HA PHE 1 -8.910 6.933 1.653
5 HB2 PHE 1 2HB PHE 1 -8.243 5.222 3.343
6 HB3 PHE 1 1HB PHE 1 -8.971 6.614 4.066
7 HD1 PHE 1 HD1 PHE 1 -9.449 2.963 3.327
8 HD2 PHE 1 HD2 PHE 1 -11.184 6.435 5.209
9 HE1 PHE 1 HE1 PHE 1 -11.127 1.546 4.436
10 HE2 PHE 1 HE2 PHE 1 -12.861 5.001 6.282
11 HZ PHE 1 HZ PHE 1 -12.834 2.560 5.908
12 H VAL 2 H VAL 2 -7.715 5.095 0.786
13 HA VAL 2 HA VAL 2 -9.513 3.157 -0.696
14 HB VAL 2 HB VAL 2 -8.381 4.859 -2.152
15 HG11 VAL 2 1HG1 VAL 2 -6.049 4.741 -0.979
16 HG12 VAL 2 2HG1 VAL 2 -5.846 3.164 -1.746
17 HG13 VAL 2 3HG1 VAL 2 -6.021 4.621 -2.757
18 HG21 VAL 2 1HG2 VAL 2 -7.774 1.899 -2.781
19 HG22 VAL 2 2HG2 VAL 2 -9.321 2.733 -3.068
20 HG23 VAL 2 3HG2 VAL 2 -7.875 3.224 -3.961
21 HA PH6 3 HA TCP 3 -7.081 -0.021 1.657
22 HB2 PH6 3 1HB TCP 3 -8.917 -1.339 1.619
23 HB3 PH6 3 2HB TCP 3 -8.077 -2.256 0.394
24 HG2 PH6 3 HG TCP 3 -9.151 -1.227 -1.431
25 HD2 PH6 3 1HD TCP 3 -10.269 1.167 0.046
26 HD3 PH6 3 2HD TCP 3 -9.525 1.013 -1.550
27 H1 PH6 3 H19 TCP 3 -10.895 -2.495 -0.256
28 H61 PH6 3 H20 TCP 3 -10.968 -1.324 1.985
29 H62 PH6 3 H21 TCP 3 -11.612 0.129 1.252
30 H21 PH6 3 H17 TCP 3 -11.505 -1.328 -2.383
31 H22 PH6 3 H18 TCP 3 -11.935 0.136 -1.512
32 H51 PH6 3 H11 TCP 3 -13.410 -1.156 2.297
33 H52 PH6 3 H12 TCP 3 -12.989 -2.604 1.374
34 H41 PH6 3 H13 TCP 3 -14.937 -1.398 0.299
35 H42 PH6 3 H14 TCP 3 -13.986 0.084 0.179
36 H31 PH6 3 H15 TCP 3 -13.997 -1.131 -2.032
37 H32 PH6 3 H16 TCP 3 -13.352 -2.586 -1.269
38 H TRP 4 H TRP 4 -5.177 0.787 0.810
39 HA TRP 4 HA TRP 4 -4.019 -0.253 -1.726
40 HB2 TRP 4 1HB TRP 4 -2.979 1.444 0.588
41 HB3 TRP 4 2HB TRP 4 -1.837 0.740 -0.507
42 HD1 TRP 4 HD1 TRP 4 -3.514 1.224 -3.361
43 HE1 TRP 4 HE1 TRP 4 -3.637 3.649 -4.391
44 HE3 TRP 4 HE3 TRP 4 -2.571 3.737 0.984
45 HZ2 TRP 4 HZ2 TRP 4 -3.300 6.239 -3.292
46 HZ3 TRP 4 HZ3 TRP 4 -2.519 6.208 0.940
47 HH2 TRP 4 HH2 TRP 4 -2.895 7.446 -1.161
48 H PHE 5 H PHE 5 -3.803 -2.316 -1.849
49 HA PHE 5 HA PHE 5 -2.610 -4.033 0.282
50 HB2 PHE 5 2HB PHE 5 -3.200 -4.973 -2.574
51 HB3 PHE 5 1HB PHE 5 -3.136 -5.910 -1.115
52 HD1 PHE 5 HD1 PHE 5 -4.957 -4.872 0.810
53 HD2 PHE 5 HD2 PHE 5 -5.352 -4.663 -3.470
54 HE1 PHE 5 HE1 PHE 5 -7.393 -4.625 1.035
55 HE2 PHE 5 HE2 PHE 5 -7.782 -4.402 -3.227
56 HZ PHE 5 HZ PHE 5 -8.812 -4.393 -0.981
57 H SER 6 H SER 6 -1.667 -3.444 -3.068
58 HA SER 6 HA SER 6 1.182 -4.313 -2.601
59 HB2 SER 6 2HB SER 6 -0.403 -4.474 -4.880
60 HB3 SER 6 1HB SER 6 0.413 -2.953 -5.218
61 HG SER 6 HG SER 6 1.951 -4.328 -5.829
62 H LYS 7 H LYS 7 -0.466 -1.228 -3.185
63 HA LYS 7 HA LYS 7 1.857 0.528 -3.356
64 HB2 LYS 7 2HB LYS 7 -0.983 0.856 -3.368
65 HB3 LYS 7 1HB LYS 7 -0.531 1.636 -1.902
66 HG2 LYS 7 2HG LYS 7 0.812 2.372 -4.569
67 HG3 LYS 7 1HG LYS 7 -0.739 2.997 -4.086
68 HD2 LYS 7 2HD LYS 7 0.344 4.700 -3.032
69 HD3 LYS 7 1HD LYS 7 0.551 3.588 -1.735
70 HE2 LYS 7 2HE LYS 7 2.801 4.063 -1.905
71 HE3 LYS 7 1HE LYS 7 2.806 2.802 -3.116
72 HZ1 LYS 7 1HZ LYS 7 3.755 4.898 -4.116
73 HZ2 LYS 7 2HZ LYS 7 2.325 4.591 -4.860
74 HZ3 LYS 7 3HZ LYS 7 2.401 5.755 -3.725
75 H PHE 8 H PHE 8 0.316 -0.764 -0.499
76 HA PHE 8 HA PHE 8 1.924 0.712 1.547
77 HB2 PHE 8 2HB PHE 8 -0.175 -1.507 1.556
78 HB3 PHE 8 1HB PHE 8 1.068 -1.774 2.709
79 HD1 PHE 8 HD1 PHE 8 -1.764 0.329 1.943
80 HD2 PHE 8 HD2 PHE 8 1.670 -0.026 4.455
81 HE1 PHE 8 HE1 PHE 8 -2.744 1.978 3.491
82 HE2 PHE 8 HE2 PHE 8 0.699 1.583 6.032
83 HZ PHE 8 HZ PHE 8 -1.514 2.599 5.558
84 H LEU 9 H LEU 9 2.060 -2.687 0.397
85 HA LEU 9 HA LEU 9 4.664 -3.309 1.502
86 HB2 LEU 9 2HB LEU 9 2.760 -4.584 -0.413
87 HB3 LEU 9 1HB LEU 9 4.366 -4.699 -1.043
88 HG LEU 9 HG LEU 9 5.191 -5.705 1.133
89 HD11 LEU 9 1HD1 LEU 9 3.629 -5.049 2.852
90 HD12 LEU 9 2HD1 LEU 9 2.201 -5.425 1.863
91 HD13 LEU 9 3HD1 LEU 9 3.171 -6.736 2.566
92 HD21 LEU 9 1HD2 LEU 9 2.870 -7.372 -0.008
93 HD22 LEU 9 2HD2 LEU 9 4.295 -6.992 -1.001
94 HD23 LEU 9 3HD2 LEU 9 4.495 -7.889 0.509
95 H GLY 10 H GLY 10 3.984 -1.819 -1.642
96 HA2 GLY 10 1HA GLY 10 6.736 -1.608 -2.651
97 HA3 GLY 10 2HA GLY 10 5.442 -0.509 -3.077
98 H ARG 11 H ARG 11 5.010 0.610 -0.521
99 HA ARG 11 HA ARG 11 7.304 2.561 -0.264
100 HB2 ARG 11 2HB ARG 11 4.490 2.314 0.947
101 HB3 ARG 11 1HB ARG 11 5.660 3.134 1.921
102 HG2 ARG 11 2HG ARG 11 5.134 3.948 -0.993
103 HG3 ARG 11 1HG ARG 11 4.299 4.634 0.399
104 HD2 ARG 11 2HD ARG 11 7.162 4.747 1.053
105 HD3 ARG 11 1HD ARG 11 7.074 5.150 -0.655
106 HE ARG 11 HE ARG 11 5.042 6.681 0.926
107 HH11 ARG 11 1HH1 ARG 11 8.668 8.329 0.875
108 HH12 ARG 11 2HH1 ARG 11 8.470 6.570 0.432
109 HH21 ARG 11 1HH2 ARG 11 6.928 9.441 1.390
110 HH22 ARG 11 2HH2 ARG 11 5.281 8.666 1.394
111 H ILE 12 H ILE 12 5.884 0.126 1.919
112 HA ILE 12 HA ILE 12 7.980 0.410 3.999
113 HB ILE 12 HB ILE 12 6.185 -2.015 3.496
114 HG12 ILE 12 2HG1 ILE 12 5.529 0.400 5.289
115 HG13 ILE 12 1HG1 ILE 12 4.744 0.030 3.780
116 HG21 ILE 12 1HG2 ILE 12 7.280 -2.955 5.278
117 HG22 ILE 12 2HG2 ILE 12 8.276 -1.520 5.543
118 HG23 ILE 12 3HG2 ILE 12 6.729 -1.662 6.359
119 HD11 ILE 12 1HD1 ILE 12 4.541 -2.383 5.471
120 HD12 ILE 12 2HD1 ILE 12 3.955 -0.955 6.345
121 HD13 ILE 12 3HD1 ILE 12 3.258 -1.411 4.764
122 H LEU 13 H LEU 13 7.786 -1.652 1.115
123 HA LEU 13 HA LEU 13 10.022 -3.387 1.415
124 HB2 LEU 13 2HB LEU 13 8.639 -1.994 -0.914
125 HB3 LEU 13 1HB LEU 13 10.236 -2.505 -1.285
126 HG LEU 13 HG LEU 13 8.141 -4.437 -0.157
127 HD11 LEU 13 1HD1 LEU 13 7.169 -4.179 -2.241
128 HD12 LEU 13 2HD1 LEU 13 8.585 -3.390 -2.961
129 HD13 LEU 13 3HD1 LEU 13 8.512 -5.153 -2.858
130 HD21 LEU 13 1HD2 LEU 13 10.537 -5.433 -1.746
131 HD22 LEU 13 2HD2 LEU 13 10.905 -4.807 -0.140
132 HD23 LEU 13 3HD2 LEU 13 9.732 -6.116 -0.312
133 HN1 NH2 14 1HN NH2 14 12.112 0.054 0.917
134 HN2 NH2 14 2HN NH2 14 10.305 0.059 0.597
Start of MODEL 7
1 H1 PHE 1 1H PHE 1 -11.151 7.632 2.701
2 H2 PHE 1 2H PHE 1 -11.364 7.127 1.124
3 H3 PHE 1 3H PHE 1 -11.864 6.180 2.355
4 HA PHE 1 HA PHE 1 -9.011 6.787 1.812
5 HB2 PHE 1 2HB PHE 1 -8.487 5.127 3.554
6 HB3 PHE 1 1HB PHE 1 -9.357 6.467 4.220
7 HD1 PHE 1 HD1 PHE 1 -9.638 2.834 3.253
8 HD2 PHE 1 HD2 PHE 1 -11.586 6.122 5.253
9 HE1 PHE 1 HE1 PHE 1 -11.350 1.306 4.129
10 HE2 PHE 1 HE2 PHE 1 -13.280 4.570 6.121
11 HZ PHE 1 HZ PHE 1 -13.170 2.167 5.562
12 H VAL 2 H VAL 2 -7.841 5.148 0.716
13 HA VAL 2 HA VAL 2 -9.569 3.076 -0.671
14 HB VAL 2 HB VAL 2 -8.563 4.816 -2.165
15 HG11 VAL 2 1HG1 VAL 2 -5.941 3.255 -1.797
16 HG12 VAL 2 2HG1 VAL 2 -6.210 4.692 -2.818
17 HG13 VAL 2 3HG1 VAL 2 -6.206 4.828 -1.039
18 HG21 VAL 2 1HG2 VAL 2 -7.999 3.189 -3.971
19 HG22 VAL 2 2HG2 VAL 2 -7.816 1.884 -2.779
20 HG23 VAL 2 3HG2 VAL 2 -9.405 2.637 -3.050
21 HA PH6 3 HA TCP 3 -6.936 0.041 1.653
22 HB2 PH6 3 1HB TCP 3 -8.706 -1.368 1.664
23 HB3 PH6 3 2HB TCP 3 -7.841 -2.248 0.430
24 HG2 PH6 3 HG TCP 3 -9.003 -1.293 -1.382
25 HD2 PH6 3 1HD TCP 3 -10.212 1.054 0.100
26 HD3 PH6 3 2HD TCP 3 -9.495 0.924 -1.511
27 H1 PH6 3 H19 TCP 3 -10.657 -2.638 -0.165
28 H61 PH6 3 H20 TCP 3 -10.748 -1.454 2.068
29 H62 PH6 3 H21 TCP 3 -11.478 -0.041 1.336
30 H21 PH6 3 H17 TCP 3 -11.366 -1.525 -2.289
31 H22 PH6 3 H18 TCP 3 -11.853 -0.076 -1.422
32 H51 PH6 3 H11 TCP 3 -13.189 -1.406 2.425
33 H52 PH6 3 H12 TCP 3 -12.712 -2.839 1.505
34 H41 PH6 3 H13 TCP 3 -14.738 -1.743 0.459
35 H42 PH6 3 H14 TCP 3 -13.866 -0.216 0.309
36 H31 PH6 3 H15 TCP 3 -13.857 -1.449 -1.892
37 H32 PH6 3 H16 TCP 3 -13.125 -2.863 -1.130
38 H TRP 4 H TRP 4 -5.075 0.893 0.785
39 HA TRP 4 HA TRP 4 -3.933 -0.082 -1.802
40 HB2 TRP 4 1HB TRP 4 -2.912 1.634 0.513
41 HB3 TRP 4 2HB TRP 4 -1.794 1.002 -0.650
42 HD1 TRP 4 HD1 TRP 4 -3.496 1.444 -3.428
43 HE1 TRP 4 HE1 TRP 4 -3.845 3.851 -4.425
44 HE3 TRP 4 HE3 TRP 4 -2.623 3.986 0.909
45 HZ2 TRP 4 HZ2 TRP 4 -3.607 6.468 -3.319
46 HZ3 TRP 4 HZ3 TRP 4 -2.648 6.452 0.878
47 HH2 TRP 4 HH2 TRP 4 -3.153 7.685 -1.198
48 H PHE 5 H PHE 5 -3.876 -2.227 -1.755
49 HA PHE 5 HA PHE 5 -2.544 -3.832 0.306
50 HB2 PHE 5 2HB PHE 5 -3.145 -4.853 -2.527
51 HB3 PHE 5 1HB PHE 5 -3.029 -5.765 -1.058
52 HD1 PHE 5 HD1 PHE 5 -4.854 -4.852 0.871
53 HD2 PHE 5 HD2 PHE 5 -5.296 -4.524 -3.397
54 HE1 PHE 5 HE1 PHE 5 -7.297 -4.710 1.123
55 HE2 PHE 5 HE2 PHE 5 -7.731 -4.364 -3.128
56 HZ PHE 5 HZ PHE 5 -8.742 -4.469 -0.874
57 H SER 6 H SER 6 -1.617 -3.661 -3.103
58 HA SER 6 HA SER 6 1.250 -4.332 -2.653
59 HB2 SER 6 2HB SER 6 -0.037 -4.849 -4.792
60 HB3 SER 6 1HB SER 6 -0.116 -3.122 -5.155
61 HG SER 6 HG SER 6 2.280 -3.177 -4.976
62 H LYS 7 H LYS 7 -0.444 -1.264 -3.232
63 HA LYS 7 HA LYS 7 1.876 0.524 -3.359
64 HB2 LYS 7 2HB LYS 7 -1.061 0.801 -3.161
65 HB3 LYS 7 1HB LYS 7 -0.377 1.818 -1.946
66 HG2 LYS 7 2HG LYS 7 0.745 1.958 -4.785
67 HG3 LYS 7 1HG LYS 7 -0.784 2.693 -4.425
68 HD2 LYS 7 2HD LYS 7 1.572 3.326 -2.520
69 HD3 LYS 7 1HD LYS 7 1.610 3.998 -4.143
70 HE2 LYS 7 2HE LYS 7 -0.949 4.742 -3.583
71 HE3 LYS 7 1HE LYS 7 -0.485 4.469 -1.907
72 HZ1 LYS 7 1HZ LYS 7 -0.092 6.822 -2.653
73 HZ2 LYS 7 2HZ LYS 7 1.354 6.147 -2.251
74 HZ3 LYS 7 3HZ LYS 7 0.920 6.324 -3.841
75 H PHE 8 H PHE 8 0.332 -0.829 -0.533
76 HA PHE 8 HA PHE 8 1.916 0.688 1.518
77 HB2 PHE 8 2HB PHE 8 -0.103 -1.619 1.528
78 HB3 PHE 8 1HB PHE 8 1.084 -1.688 2.759
79 HD1 PHE 8 HD1 PHE 8 -0.779 1.258 1.263
80 HD2 PHE 8 HD2 PHE 8 0.293 -0.910 4.796
81 HE1 PHE 8 HE1 PHE 8 -2.047 2.871 2.637
82 HE2 PHE 8 HE2 PHE 8 -0.926 0.728 6.167
83 HZ PHE 8 HZ PHE 8 -2.111 2.618 5.084
84 H LEU 9 H LEU 9 2.045 -2.711 0.401
85 HA LEU 9 HA LEU 9 4.637 -3.330 1.528
86 HB2 LEU 9 2HB LEU 9 2.742 -4.574 -0.410
87 HB3 LEU 9 1HB LEU 9 4.309 -4.714 -1.053
88 HG LEU 9 HG LEU 9 4.457 -5.449 1.837
89 HD11 LEU 9 1HD1 LEU 9 3.059 -7.678 1.331
90 HD12 LEU 9 2HD1 LEU 9 2.252 -6.217 1.934
91 HD13 LEU 9 3HD1 LEU 9 2.156 -6.642 0.212
92 HD21 LEU 9 1HD2 LEU 9 5.618 -7.369 1.008
93 HD22 LEU 9 2HD2 LEU 9 4.911 -7.232 -0.621
94 HD23 LEU 9 3HD2 LEU 9 6.103 -6.037 -0.053
95 H GLY 10 H GLY 10 3.994 -1.839 -1.620
96 HA2 GLY 10 1HA GLY 10 6.754 -1.631 -2.622
97 HA3 GLY 10 2HA GLY 10 5.461 -0.528 -3.037
98 H ARG 11 H ARG 11 5.006 0.585 -0.498
99 HA ARG 11 HA ARG 11 7.264 2.585 -0.243
100 HB2 ARG 11 2HB ARG 11 4.619 2.186 1.310
101 HB3 ARG 11 1HB ARG 11 5.770 3.411 1.738
102 HG2 ARG 11 2HG ARG 11 4.900 3.364 -1.194
103 HG3 ARG 11 1HG ARG 11 3.673 3.826 -0.023
104 HD2 ARG 11 2HD ARG 11 4.979 5.689 0.847
105 HD3 ARG 11 1HD ARG 11 6.484 5.097 0.113
106 HE ARG 11 HE ARG 11 4.711 5.544 -2.108
107 HH11 ARG 11 1HH1 ARG 11 6.721 8.771 -0.884
108 HH12 ARG 11 2HH1 ARG 11 6.529 7.331 0.219
109 HH21 ARG 11 1HH2 ARG 11 5.813 8.682 -2.800
110 HH22 ARG 11 2HH2 ARG 11 4.913 7.201 -3.358
111 H ILE 12 H ILE 12 5.857 0.131 1.938
112 HA ILE 12 HA ILE 12 7.919 0.425 4.052
113 HB ILE 12 HB ILE 12 6.131 -2.000 3.526
114 HG12 ILE 12 2HG1 ILE 12 5.412 0.441 5.266
115 HG13 ILE 12 1HG1 ILE 12 4.674 0.010 3.748
116 HG21 ILE 12 1HG2 ILE 12 7.188 -2.939 5.324
117 HG22 ILE 12 2HG2 ILE 12 8.176 -1.504 5.607
118 HG23 ILE 12 3HG2 ILE 12 6.615 -1.646 6.396
119 HD11 ILE 12 1HD1 ILE 12 4.130 -2.357 4.986
120 HD12 ILE 12 2HD1 ILE 12 4.242 -1.315 6.422
121 HD13 ILE 12 3HD1 ILE 12 3.068 -0.935 5.139
122 H LEU 13 H LEU 13 7.774 -1.607 1.151
123 HA LEU 13 HA LEU 13 9.963 -3.390 1.523
124 HB2 LEU 13 2HB LEU 13 8.615 -2.040 -0.847
125 HB3 LEU 13 1HB LEU 13 10.207 -2.556 -1.200
126 HG LEU 13 HG LEU 13 8.129 -4.506 -0.055
127 HD11 LEU 13 1HD1 LEU 13 8.214 -5.290 -2.621
128 HD12 LEU 13 2HD1 LEU 13 7.198 -3.911 -2.178
129 HD13 LEU 13 3HD1 LEU 13 8.778 -3.638 -2.945
130 HD21 LEU 13 1HD2 LEU 13 10.822 -4.981 -1.523
131 HD22 LEU 13 2HD2 LEU 13 10.599 -5.128 0.232
132 HD23 LEU 13 3HD2 LEU 13 9.740 -6.233 -0.853
133 HN1 NH2 14 1HN NH2 14 12.199 -0.068 0.585
134 HN2 NH2 14 2HN NH2 14 10.473 -0.184 -0.066
Start of MODEL 8
1 H1 PHE 1 1H PHE 1 -11.245 7.461 2.916
2 H2 PHE 1 2H PHE 1 -11.803 6.857 1.464
3 H3 PHE 1 3H PHE 1 -11.710 5.879 2.759
4 HA PHE 1 HA PHE 1 -9.351 7.043 1.387
5 HB2 PHE 1 2HB PHE 1 -7.954 5.851 2.910
6 HB3 PHE 1 1HB PHE 1 -9.055 6.730 3.910
7 HD1 PHE 1 HD1 PHE 1 -7.623 3.478 3.250
8 HD2 PHE 1 HD2 PHE 1 -11.211 5.320 4.788
9 HE1 PHE 1 HE1 PHE 1 -8.272 1.368 4.326
10 HE2 PHE 1 HE2 PHE 1 -11.860 3.187 5.793
11 HZ PHE 1 HZ PHE 1 -10.390 1.215 5.590
12 H VAL 2 H VAL 2 -7.876 5.114 0.679
13 HA VAL 2 HA VAL 2 -9.607 3.064 -0.722
14 HB VAL 2 HB VAL 2 -8.590 4.778 -2.256
15 HG11 VAL 2 1HG1 VAL 2 -5.964 3.214 -1.911
16 HG12 VAL 2 2HG1 VAL 2 -6.243 4.680 -2.888
17 HG13 VAL 2 3HG1 VAL 2 -6.222 4.765 -1.109
18 HG21 VAL 2 1HG2 VAL 2 -9.459 2.606 -3.098
19 HG22 VAL 2 2HG2 VAL 2 -8.035 3.103 -4.026
20 HG23 VAL 2 3HG2 VAL 2 -7.886 1.824 -2.801
21 HA PH6 3 HA TCP 3 -6.959 0.082 1.656
22 HB2 PH6 3 1HB TCP 3 -8.713 -1.345 1.698
23 HB3 PH6 3 2HB TCP 3 -7.851 -2.243 0.471
24 HG2 PH6 3 HG TCP 3 -9.046 -1.315 -1.342
25 HD2 PH6 3 1HD TCP 3 -10.239 1.058 0.110
26 HD3 PH6 3 2HD TCP 3 -9.540 0.900 -1.504
27 H1 PH6 3 H19 TCP 3 -10.690 -2.636 -0.081
28 H61 PH6 3 H20 TCP 3 -10.755 -1.407 2.130
29 H62 PH6 3 H21 TCP 3 -11.492 -0.009 1.379
30 H21 PH6 3 H17 TCP 3 -11.419 -1.557 -2.218
31 H22 PH6 3 H18 TCP 3 -11.895 -0.093 -1.371
32 H51 PH6 3 H11 TCP 3 -13.193 -1.350 2.511
33 H52 PH6 3 H12 TCP 3 -12.728 -2.801 1.614
34 H41 PH6 3 H13 TCP 3 -14.764 -1.721 0.568
35 H42 PH6 3 H14 TCP 3 -13.892 -0.199 0.380
36 H31 PH6 3 H15 TCP 3 -13.906 -1.472 -1.797
37 H32 PH6 3 H16 TCP 3 -13.168 -2.873 -1.017
38 H TRP 4 H TRP 4 -5.081 0.883 0.804
39 HA TRP 4 HA TRP 4 -3.943 -0.140 -1.771
40 HB2 TRP 4 1HB TRP 4 -2.913 1.631 0.503
41 HB3 TRP 4 2HB TRP 4 -1.796 0.953 -0.621
42 HD1 TRP 4 HD1 TRP 4 -3.543 1.311 -3.442
43 HE1 TRP 4 HE1 TRP 4 -3.863 3.694 -4.512
44 HE3 TRP 4 HE3 TRP 4 -2.626 3.979 0.811
45 HZ2 TRP 4 HZ2 TRP 4 -3.592 6.332 -3.500
46 HZ3 TRP 4 HZ3 TRP 4 -2.693 6.448 0.705
47 HH2 TRP 4 HH2 TRP 4 -3.187 7.611 -1.414
48 H PHE 5 H PHE 5 -3.872 -2.263 -1.715
49 HA PHE 5 HA PHE 5 -2.533 -3.853 0.377
50 HB2 PHE 5 2HB PHE 5 -3.158 -4.915 -2.439
51 HB3 PHE 5 1HB PHE 5 -3.018 -5.803 -0.959
52 HD1 PHE 5 HD1 PHE 5 -4.859 -5.309 0.906
53 HD2 PHE 5 HD2 PHE 5 -5.281 -4.142 -3.212
54 HE1 PHE 5 HE1 PHE 5 -7.302 -5.147 1.191
55 HE2 PHE 5 HE2 PHE 5 -7.713 -3.973 -2.913
56 HZ PHE 5 HZ PHE 5 -8.734 -4.495 -0.722
57 H SER 6 H SER 6 -1.659 -3.525 -3.047
58 HA SER 6 HA SER 6 1.195 -4.304 -2.662
59 HB2 SER 6 2HB SER 6 1.417 -4.103 -5.008
60 HB3 SER 6 1HB SER 6 -0.213 -4.727 -4.795
61 HG SER 6 HG SER 6 0.174 -2.846 -6.286
62 H LYS 7 H LYS 7 -0.437 -1.218 -3.231
63 HA LYS 7 HA LYS 7 1.866 0.541 -3.296
64 HB2 LYS 7 2HB LYS 7 -1.053 0.854 -3.028
65 HB3 LYS 7 1HB LYS 7 -0.331 1.860 -1.810
66 HG2 LYS 7 2HG LYS 7 0.419 1.975 -4.766
67 HG3 LYS 7 1HG LYS 7 -0.782 2.996 -3.976
68 HD2 LYS 7 2HD LYS 7 0.829 4.133 -2.554
69 HD3 LYS 7 1HD LYS 7 2.055 2.918 -2.791
70 HE2 LYS 7 2HE LYS 7 2.727 4.876 -4.073
71 HE3 LYS 7 1HE LYS 7 2.432 3.514 -5.151
72 HZ1 LYS 7 1HZ LYS 7 1.259 5.568 -6.017
73 HZ2 LYS 7 2HZ LYS 7 0.144 4.440 -5.596
74 HZ3 LYS 7 3HZ LYS 7 0.395 5.714 -4.614
75 H PHE 8 H PHE 8 0.337 -0.782 -0.466
76 HA PHE 8 HA PHE 8 1.959 0.672 1.592
77 HB2 PHE 8 2HB PHE 8 -0.121 -1.576 1.555
78 HB3 PHE 8 1HB PHE 8 1.087 -1.761 2.749
79 HD1 PHE 8 HD1 PHE 8 -0.719 1.335 1.442
80 HD2 PHE 8 HD2 PHE 8 0.400 -1.051 4.832
81 HE1 PHE 8 HE1 PHE 8 -1.783 2.970 2.943
82 HE2 PHE 8 HE2 PHE 8 -0.668 0.574 6.327
83 HZ PHE 8 HZ PHE 8 -1.764 2.592 5.393
84 H LEU 9 H LEU 9 2.058 -2.703 0.399
85 HA LEU 9 HA LEU 9 4.654 -3.357 1.506
86 HB2 LEU 9 2HB LEU 9 2.748 -4.612 -0.425
87 HB3 LEU 9 1HB LEU 9 4.355 -4.705 -1.062
88 HG LEU 9 HG LEU 9 5.150 -5.637 1.222
89 HD11 LEU 9 1HD1 LEU 9 3.040 -4.917 2.526
90 HD12 LEU 9 2HD1 LEU 9 2.105 -6.116 1.612
91 HD13 LEU 9 3HD1 LEU 9 3.414 -6.642 2.701
92 HD21 LEU 9 1HD2 LEU 9 4.871 -7.803 0.414
93 HD22 LEU 9 2HD2 LEU 9 3.157 -7.595 -0.016
94 HD23 LEU 9 3HD2 LEU 9 4.431 -6.940 -1.061
95 H GLY 10 H GLY 10 3.990 -1.816 -1.615
96 HA2 GLY 10 1HA GLY 10 6.738 -1.604 -2.636
97 HA3 GLY 10 2HA GLY 10 5.446 -0.494 -3.031
98 H ARG 11 H ARG 11 5.017 0.623 -0.497
99 HA ARG 11 HA ARG 11 7.305 2.583 -0.218
100 HB2 ARG 11 2HB ARG 11 4.611 2.198 1.244
101 HB3 ARG 11 1HB ARG 11 5.793 3.316 1.846
102 HG2 ARG 11 2HG ARG 11 5.145 3.605 -1.113
103 HG3 ARG 11 1HG ARG 11 3.836 3.989 -0.031
104 HD2 ARG 11 2HD ARG 11 6.691 5.138 0.384
105 HD3 ARG 11 1HD ARG 11 5.577 5.903 -0.757
106 HE ARG 11 HE ARG 11 4.005 5.679 1.629
107 HH11 ARG 11 1HH1 ARG 11 6.893 8.335 2.319
108 HH12 ARG 11 2HH1 ARG 11 7.116 7.061 1.029
109 HH21 ARG 11 1HH2 ARG 11 5.061 8.365 3.396
110 HH22 ARG 11 2HH2 ARG 11 3.750 7.147 3.060
111 H ILE 12 H ILE 12 5.903 0.099 1.935
112 HA ILE 12 HA ILE 12 7.985 0.370 4.034
113 HB ILE 12 HB ILE 12 6.183 -2.044 3.507
114 HG12 ILE 12 2HG1 ILE 12 5.502 0.379 5.286
115 HG13 ILE 12 1HG1 ILE 12 4.743 -0.018 3.772
116 HG21 ILE 12 1HG2 ILE 12 6.696 -1.721 6.373
117 HG22 ILE 12 2HG2 ILE 12 7.262 -3.002 5.283
118 HG23 ILE 12 3HG2 ILE 12 8.253 -1.569 5.573
119 HD11 ILE 12 1HD1 ILE 12 4.178 -1.198 6.431
120 HD12 ILE 12 2HD1 ILE 12 3.146 -1.134 4.979
121 HD13 ILE 12 3HD1 ILE 12 4.338 -2.438 5.171
122 H LEU 13 H LEU 13 7.808 -1.643 1.127
123 HA LEU 13 HA LEU 13 10.002 -3.445 1.433
124 HB2 LEU 13 2HB LEU 13 8.600 -2.034 -0.866
125 HB3 LEU 13 1HB LEU 13 10.180 -2.521 -1.270
126 HG LEU 13 HG LEU 13 8.181 -4.554 -0.124
127 HD11 LEU 13 1HD1 LEU 13 8.252 -5.150 -2.816
128 HD12 LEU 13 2HD1 LEU 13 7.050 -4.080 -2.091
129 HD13 LEU 13 3HD1 LEU 13 8.454 -3.391 -2.929
130 HD21 LEU 13 1HD2 LEU 13 10.992 -4.695 -1.388
131 HD22 LEU 13 2HD2 LEU 13 10.378 -5.471 0.086
132 HD23 LEU 13 3HD2 LEU 13 9.893 -6.085 -1.503
133 HN1 NH2 14 1HN NH2 14 12.214 -0.088 0.543
134 HN2 NH2 14 2HN NH2 14 10.475 -0.188 -0.075
Start of MODEL 9
1 H1 PHE 1 1H PHE 1 -11.866 7.065 3.049
2 H2 PHE 1 2H PHE 1 -12.351 6.418 1.590
3 H3 PHE 1 3H PHE 1 -12.108 5.438 2.871
4 HA PHE 1 HA PHE 1 -9.941 6.950 1.515
5 HB2 PHE 1 2HB PHE 1 -8.381 5.737 2.969
6 HB3 PHE 1 1HB PHE 1 -9.467 6.676 3.933
7 HD1 PHE 1 HD1 PHE 1 -8.581 3.173 2.870
8 HD2 PHE 1 HD2 PHE 1 -11.025 5.546 5.513
9 HE1 PHE 1 HE1 PHE 1 -9.245 1.151 4.091
10 HE2 PHE 1 HE2 PHE 1 -11.664 3.508 6.726
11 HZ PHE 1 HZ PHE 1 -10.781 1.311 6.022
12 H VAL 2 H VAL 2 -8.319 5.464 0.488
13 HA VAL 2 HA VAL 2 -9.752 3.217 -0.929
14 HB VAL 2 HB VAL 2 -8.804 5.061 -2.336
15 HG11 VAL 2 1HG1 VAL 2 -6.064 3.712 -1.959
16 HG12 VAL 2 2HG1 VAL 2 -6.434 5.239 -2.813
17 HG13 VAL 2 3HG1 VAL 2 -6.508 5.146 -1.036
18 HG21 VAL 2 1HG2 VAL 2 -9.445 2.869 -3.310
19 HG22 VAL 2 2HG2 VAL 2 -8.000 3.491 -4.125
20 HG23 VAL 2 3HG2 VAL 2 -7.848 2.185 -2.925
21 HA PH6 3 HA TCP 3 -7.015 0.371 1.508
22 HB2 PH6 3 1HB TCP 3 -8.713 -1.175 1.356
23 HB3 PH6 3 2HB TCP 3 -7.647 -1.969 0.192
24 HG2 PH6 3 HG TCP 3 -8.763 -0.997 -1.706
25 HD2 PH6 3 1HD TCP 3 -10.282 1.053 -0.033
26 HD3 PH6 3 2HD TCP 3 -9.583 1.154 -1.675
27 H1 PH6 3 H19 TCP 3 -12.152 -3.576 0.566
28 H61 PH6 3 H20 TCP 3 -9.702 -3.268 0.226
29 H62 PH6 3 H21 TCP 3 -9.937 -3.250 -1.548
30 H21 PH6 3 H17 TCP 3 -12.251 -3.747 -2.532
31 H22 PH6 3 H18 TCP 3 -11.475 -4.866 -0.437
32 H51 PH6 3 H11 TCP 3 -11.063 -1.162 0.361
33 H52 PH6 3 H12 TCP 3 -11.800 -0.020 -1.790
34 H41 PH6 3 H13 TCP 3 -11.129 -1.341 -2.740
35 H42 PH6 3 H14 TCP 3 -13.613 -1.626 -2.439
36 H31 PH6 3 H15 TCP 3 -13.433 -1.559 -0.683
37 H32 PH6 3 H16 TCP 3 -13.625 -3.959 -1.446
38 H TRP 4 H TRP 4 -4.942 0.462 1.204
39 HA TRP 4 HA TRP 4 -3.643 0.112 -1.557
40 HB2 TRP 4 1HB TRP 4 -2.678 1.343 1.065
41 HB3 TRP 4 2HB TRP 4 -1.611 1.040 -0.279
42 HD1 TRP 4 HD1 TRP 4 -2.872 2.190 -2.803
43 HE1 TRP 4 HE1 TRP 4 -3.431 4.773 -3.159
44 HE3 TRP 4 HE3 TRP 4 -3.501 3.315 2.105
45 HZ2 TRP 4 HZ2 TRP 4 -4.046 6.862 -1.377
46 HZ3 TRP 4 HZ3 TRP 4 -4.100 5.621 2.743
47 HH2 TRP 4 HH2 TRP 4 -4.399 7.370 1.027
48 H PHE 5 H PHE 5 -3.821 -2.114 -1.617
49 HA PHE 5 HA PHE 5 -2.557 -3.894 0.341
50 HB2 PHE 5 2HB PHE 5 -3.129 -4.736 -2.564
51 HB3 PHE 5 1HB PHE 5 -3.063 -5.724 -1.144
52 HD1 PHE 5 HD1 PHE 5 -4.865 -5.119 0.764
53 HD2 PHE 5 HD2 PHE 5 -5.216 -3.936 -3.363
54 HE1 PHE 5 HE1 PHE 5 -7.318 -5.079 0.968
55 HE2 PHE 5 HE2 PHE 5 -7.662 -3.905 -3.136
56 HZ PHE 5 HZ PHE 5 -8.682 -4.780 -1.040
57 H SER 6 H SER 6 -1.623 -3.556 -3.024
58 HA SER 6 HA SER 6 1.222 -4.321 -2.558
59 HB2 SER 6 2HB SER 6 -0.446 -4.457 -4.821
60 HB3 SER 6 1HB SER 6 0.493 -3.016 -5.200
61 HG SER 6 HG SER 6 1.532 -4.985 -5.842
62 H LYS 7 H LYS 7 -0.422 -1.256 -3.099
63 HA LYS 7 HA LYS 7 1.908 0.553 -3.283
64 HB2 LYS 7 2HB LYS 7 -1.051 0.858 -2.548
65 HB3 LYS 7 1HB LYS 7 -0.013 2.084 -1.924
66 HG2 LYS 7 2HG LYS 7 -0.362 3.181 -3.838
67 HG3 LYS 7 1HG LYS 7 0.968 2.220 -4.442
68 HD2 LYS 7 2HD LYS 7 -1.018 0.453 -5.102
69 HD3 LYS 7 1HD LYS 7 -2.065 1.842 -4.833
70 HE2 LYS 7 2HE LYS 7 -0.275 3.109 -6.491
71 HE3 LYS 7 1HE LYS 7 0.185 1.463 -6.925
72 HZ1 LYS 7 1HZ LYS 7 -1.687 2.288 -8.384
73 HZ2 LYS 7 2HZ LYS 7 -2.256 1.034 -7.490
74 HZ3 LYS 7 3HZ LYS 7 -2.644 2.572 -7.085
75 H PHE 8 H PHE 8 0.380 -0.836 -0.445
76 HA PHE 8 HA PHE 8 2.050 0.645 1.558
77 HB2 PHE 8 2HB PHE 8 -0.034 -1.594 1.624
78 HB3 PHE 8 1HB PHE 8 1.198 -1.740 2.802
79 HD1 PHE 8 HD1 PHE 8 0.295 -1.131 4.852
80 HD2 PHE 8 HD2 PHE 8 -0.355 1.482 1.510
81 HE1 PHE 8 HE1 PHE 8 -0.794 0.505 6.329
82 HE2 PHE 8 HE2 PHE 8 -1.438 3.106 2.980
83 HZ PHE 8 HZ PHE 8 -1.699 2.617 5.392
84 H LEU 9 H LEU 9 2.114 -2.743 0.417
85 HA LEU 9 HA LEU 9 4.715 -3.388 1.519
86 HB2 LEU 9 2HB LEU 9 2.817 -4.662 -0.416
87 HB3 LEU 9 1HB LEU 9 4.429 -4.781 -1.026
88 HG LEU 9 HG LEU 9 5.127 -5.634 1.392
89 HD11 LEU 9 1HD1 LEU 9 3.422 -6.512 2.809
90 HD12 LEU 9 2HD1 LEU 9 2.675 -4.995 2.285
91 HD13 LEU 9 3HD1 LEU 9 2.181 -6.525 1.532
92 HD21 LEU 9 1HD2 LEU 9 4.346 -8.003 0.682
93 HD22 LEU 9 2HD2 LEU 9 3.512 -7.231 -0.691
94 HD23 LEU 9 3HD2 LEU 9 5.277 -7.089 -0.520
95 H GLY 10 H GLY 10 4.028 -1.869 -1.603
96 HA2 GLY 10 1HA GLY 10 6.767 -1.685 -2.658
97 HA3 GLY 10 2HA GLY 10 5.474 -0.573 -3.050
98 H ARG 11 H ARG 11 5.061 0.569 -0.521
99 HA ARG 11 HA ARG 11 7.370 2.497 -0.287
100 HB2 ARG 11 2HB ARG 11 4.696 2.178 1.238
101 HB3 ARG 11 1HB ARG 11 5.891 3.327 1.759
102 HG2 ARG 11 2HG ARG 11 4.816 3.366 -1.133
103 HG3 ARG 11 1HG ARG 11 3.984 4.189 0.188
104 HD2 ARG 11 2HD ARG 11 6.005 5.529 0.752
105 HD3 ARG 11 1HD ARG 11 6.985 4.681 -0.459
106 HE ARG 11 HE ARG 11 4.797 5.704 -1.978
107 HH11 ARG 11 1HH1 ARG 11 7.337 8.623 -0.958
108 HH12 ARG 11 2HH1 ARG 11 7.303 7.058 -0.017
109 HH21 ARG 11 1HH2 ARG 11 5.991 8.822 -2.602
110 HH22 ARG 11 2HH2 ARG 11 4.843 7.474 -3.045
111 H ILE 12 H ILE 12 5.959 0.088 1.927
112 HA ILE 12 HA ILE 12 8.066 0.360 3.996
113 HB ILE 12 HB ILE 12 6.253 -2.053 3.504
114 HG12 ILE 12 2HG1 ILE 12 5.586 0.395 5.254
115 HG13 ILE 12 1HG1 ILE 12 4.817 -0.031 3.753
116 HG21 ILE 12 1HG2 ILE 12 6.794 -1.699 6.364
117 HG22 ILE 12 2HG2 ILE 12 7.334 -3.000 5.284
118 HG23 ILE 12 3HG2 ILE 12 8.342 -1.573 5.545
119 HD11 ILE 12 1HD1 ILE 12 4.382 -1.290 6.441
120 HD12 ILE 12 2HD1 ILE 12 3.226 -1.010 5.114
121 HD13 ILE 12 3HD1 ILE 12 4.327 -2.408 5.060
122 H LEU 13 H LEU 13 7.856 -1.680 1.107
123 HA LEU 13 HA LEU 13 10.056 -3.470 1.428
124 HB2 LEU 13 2HB LEU 13 8.670 -2.094 -0.905
125 HB3 LEU 13 1HB LEU 13 10.251 -2.617 -1.290
126 HG LEU 13 HG LEU 13 8.158 -4.552 -0.146
127 HD11 LEU 13 1HD1 LEU 13 8.605 -5.165 -2.911
128 HD12 LEU 13 2HD1 LEU 13 7.168 -4.401 -2.213
129 HD13 LEU 13 3HD1 LEU 13 8.460 -3.405 -2.900
130 HD21 LEU 13 1HD2 LEU 13 9.792 -6.277 -1.117
131 HD22 LEU 13 2HD2 LEU 13 10.940 -4.953 -1.446
132 HD23 LEU 13 3HD2 LEU 13 10.476 -5.344 0.224
133 HN1 NH2 14 1HN NH2 14 10.444 -0.148 0.098
134 HN2 NH2 14 2HN NH2 14 12.213 -0.084 0.607
Start of MODEL 10
1 H1 PHE 1 1H PHE 1 -11.093 7.494 3.007
2 H2 PHE 1 2H PHE 1 -11.364 7.040 1.424
3 H3 PHE 1 3H PHE 1 -11.744 6.018 2.637
4 HA PHE 1 HA PHE 1 -8.967 6.808 1.967
5 HB2 PHE 1 2HB PHE 1 -8.211 5.254 3.645
6 HB3 PHE 1 1HB PHE 1 -9.268 6.384 4.421
7 HD1 PHE 1 HD1 PHE 1 -8.621 2.849 3.765
8 HD2 PHE 1 HD2 PHE 1 -11.749 5.584 4.927
9 HE1 PHE 1 HE1 PHE 1 -9.983 0.974 4.588
10 HE2 PHE 1 HE2 PHE 1 -13.107 3.690 5.683
11 HZ PHE 1 HZ PHE 1 -12.227 1.389 5.536
12 H VAL 2 H VAL 2 -7.774 5.272 0.751
13 HA VAL 2 HA VAL 2 -9.484 3.255 -0.717
14 HB VAL 2 HB VAL 2 -8.358 5.028 -2.081
15 HG11 VAL 2 1HG1 VAL 2 -5.973 4.820 -2.670
16 HG12 VAL 2 2HG1 VAL 2 -6.054 4.951 -0.893
17 HG13 VAL 2 3HG1 VAL 2 -5.794 3.373 -1.646
18 HG21 VAL 2 1HG2 VAL 2 -7.679 2.109 -2.814
19 HG22 VAL 2 2HG2 VAL 2 -9.239 2.921 -3.094
20 HG23 VAL 2 3HG2 VAL 2 -7.791 3.477 -3.943
21 HA PH6 3 HA TCP 3 -7.037 0.022 1.551
22 HB2 PH6 3 1HB TCP 3 -8.828 -1.347 1.413
23 HB3 PH6 3 2HB TCP 3 -7.937 -2.186 0.165
24 HG2 PH6 3 HG TCP 3 -9.019 -1.097 -1.628
25 HD2 PH6 3 1HD TCP 3 -10.208 1.209 -0.066
26 HD3 PH6 3 2HD TCP 3 -9.440 1.139 -1.656
27 H1 PH6 3 H19 TCP 3 -12.876 -2.663 1.052
28 H61 PH6 3 H20 TCP 3 -14.829 -1.452 -0.008
29 H62 PH6 3 H21 TCP 3 -13.906 0.051 -0.051
30 H21 PH6 3 H17 TCP 3 -11.552 0.099 1.065
31 H22 PH6 3 H18 TCP 3 -13.342 -1.262 2.024
32 H51 PH6 3 H11 TCP 3 -13.855 -1.071 -2.309
33 H52 PH6 3 H12 TCP 3 -13.195 -2.543 -1.595
34 H41 PH6 3 H13 TCP 3 -11.354 -1.206 -2.623
35 H42 PH6 3 H14 TCP 3 -11.828 0.212 -1.700
36 H31 PH6 3 H15 TCP 3 -10.757 -2.447 -0.534
37 H32 PH6 3 H16 TCP 3 -10.890 -1.369 1.751
38 H TRP 4 H TRP 4 -5.085 0.773 0.889
39 HA TRP 4 HA TRP 4 -3.842 -0.076 -1.710
40 HB2 TRP 4 1HB TRP 4 -2.860 1.465 0.750
41 HB3 TRP 4 2HB TRP 4 -1.702 0.860 -0.378
42 HD1 TRP 4 HD1 TRP 4 -3.336 1.490 -3.232
43 HE1 TRP 4 HE1 TRP 4 -3.547 3.957 -4.117
44 HE3 TRP 4 HE3 TRP 4 -2.528 3.775 1.260
45 HZ2 TRP 4 HZ2 TRP 4 -3.255 6.496 -2.880
46 HZ3 TRP 4 HZ3 TRP 4 -2.525 6.245 1.354
47 HH2 TRP 4 HH2 TRP 4 -2.900 7.592 -0.680
48 H PHE 5 H PHE 5 -3.739 -2.173 -1.876
49 HA PHE 5 HA PHE 5 -2.607 -3.969 0.200
50 HB2 PHE 5 2HB PHE 5 -3.143 -4.813 -2.707
51 HB3 PHE 5 1HB PHE 5 -3.101 -5.797 -1.285
52 HD1 PHE 5 HD1 PHE 5 -5.001 -5.312 0.537
53 HD2 PHE 5 HD2 PHE 5 -5.202 -3.960 -3.541
54 HE1 PHE 5 HE1 PHE 5 -7.447 -5.087 0.721
55 HE2 PHE 5 HE2 PHE 5 -7.639 -3.731 -3.343
56 HZ PHE 5 HZ PHE 5 -8.772 -4.312 -1.224
57 H SER 6 H SER 6 -1.589 -3.713 -3.164
58 HA SER 6 HA SER 6 1.254 -4.425 -2.624
59 HB2 SER 6 2HB SER 6 0.027 -3.281 -5.228
60 HB3 SER 6 1HB SER 6 1.596 -4.066 -5.045
61 HG SER 6 HG SER 6 -0.878 -5.217 -5.271
62 H LYS 7 H LYS 7 -0.381 -1.357 -3.361
63 HA LYS 7 HA LYS 7 1.948 0.416 -3.528
64 HB2 LYS 7 2HB LYS 7 -0.507 1.033 -4.049
65 HB3 LYS 7 1HB LYS 7 -0.829 0.963 -2.345
66 HG2 LYS 7 2HG LYS 7 -0.567 3.283 -2.848
67 HG3 LYS 7 1HG LYS 7 0.861 2.871 -1.946
68 HD2 LYS 7 2HD LYS 7 2.292 2.850 -3.935
69 HD3 LYS 7 1HD LYS 7 0.947 2.590 -5.011
70 HE2 LYS 7 2HE LYS 7 1.391 4.831 -5.483
71 HE3 LYS 7 1HE LYS 7 0.003 4.936 -4.398
72 HZ1 LYS 7 1HZ LYS 7 1.826 6.441 -3.633
73 HZ2 LYS 7 2HZ LYS 7 1.613 5.218 -2.507
74 HZ3 LYS 7 3HZ LYS 7 2.898 5.173 -3.555
75 H PHE 8 H PHE 8 0.334 -0.864 -0.678
76 HA PHE 8 HA PHE 8 1.841 0.739 1.341
77 HB2 PHE 8 2HB PHE 8 -0.431 -1.143 1.384
78 HB3 PHE 8 1HB PHE 8 0.783 -1.881 2.323
79 HD1 PHE 8 HD1 PHE 8 -0.624 1.608 1.829
80 HD2 PHE 8 HD2 PHE 8 0.788 -1.341 4.613
81 HE1 PHE 8 HE1 PHE 8 -1.141 3.126 3.705
82 HE2 PHE 8 HE2 PHE 8 0.281 0.175 6.478
83 HZ PHE 8 HZ PHE 8 -0.690 2.409 6.036
84 H LEU 9 H LEU 9 2.018 -2.696 0.365
85 HA LEU 9 HA LEU 9 4.580 -3.272 1.587
86 HB2 LEU 9 2HB LEU 9 2.740 -4.630 -0.340
87 HB3 LEU 9 1HB LEU 9 4.371 -4.763 -0.911
88 HG LEU 9 HG LEU 9 5.098 -5.595 1.405
89 HD11 LEU 9 1HD1 LEU 9 2.167 -6.321 1.979
90 HD12 LEU 9 2HD1 LEU 9 3.538 -6.135 3.098
91 HD13 LEU 9 3HD1 LEU 9 2.721 -4.708 2.450
92 HD21 LEU 9 1HD2 LEU 9 4.725 -7.089 -0.589
93 HD22 LEU 9 2HD2 LEU 9 4.291 -7.908 0.923
94 HD23 LEU 9 3HD2 LEU 9 3.012 -7.275 -0.146
95 H GLY 10 H GLY 10 4.009 -1.898 -1.630
96 HA2 GLY 10 1HA GLY 10 6.785 -1.720 -2.569
97 HA3 GLY 10 2HA GLY 10 5.507 -0.631 -3.055
98 H ARG 11 H ARG 11 5.010 0.575 -0.566
99 HA ARG 11 HA ARG 11 7.272 2.581 -0.338
100 HB2 ARG 11 2HB ARG 11 4.601 2.222 1.173
101 HB3 ARG 11 1HB ARG 11 5.747 3.438 1.609
102 HG2 ARG 11 2HG ARG 11 4.939 3.426 -1.343
103 HG3 ARG 11 1HG ARG 11 3.664 3.770 -0.180
104 HD2 ARG 11 2HD ARG 11 5.488 5.470 0.902
105 HD3 ARG 11 1HD ARG 11 6.323 5.297 -0.650
106 HE ARG 11 HE ARG 11 3.494 5.905 -1.151
107 HH11 ARG 11 1HH1 ARG 11 5.463 9.143 0.114
108 HH12 ARG 11 2HH1 ARG 11 6.149 7.475 0.397
109 HH21 ARG 11 1HH2 ARG 11 3.650 9.305 -0.950
110 HH22 ARG 11 2HH2 ARG 11 2.730 7.846 -1.517
111 H ILE 12 H ILE 12 5.803 0.198 1.902
112 HA ILE 12 HA ILE 12 7.816 0.578 4.050
113 HB ILE 12 HB ILE 12 6.039 -1.866 3.582
114 HG12 ILE 12 2HG1 ILE 12 5.294 0.641 5.215
115 HG13 ILE 12 1HG1 ILE 12 4.580 0.150 3.702
116 HG21 ILE 12 1HG2 ILE 12 7.053 -2.739 5.436
117 HG22 ILE 12 2HG2 ILE 12 8.045 -1.299 5.682
118 HG23 ILE 12 3HG2 ILE 12 6.471 -1.403 6.446
119 HD11 ILE 12 1HD1 ILE 12 3.965 -2.149 4.961
120 HD12 ILE 12 2HD1 ILE 12 4.153 -1.136 6.414
121 HD13 ILE 12 3HD1 ILE 12 2.973 -0.685 5.171
122 H LEU 13 H LEU 13 7.740 -1.560 1.229
123 HA LEU 13 HA LEU 13 9.918 -3.337 1.699
124 HB2 LEU 13 2HB LEU 13 8.612 -2.048 -0.726
125 HB3 LEU 13 1HB LEU 13 10.206 -2.578 -1.045
126 HG LEU 13 HG LEU 13 8.173 -4.507 0.188
127 HD11 LEU 13 1HD1 LEU 13 8.378 -3.472 -2.650
128 HD12 LEU 13 2HD1 LEU 13 8.380 -5.236 -2.535
129 HD13 LEU 13 3HD1 LEU 13 7.048 -4.309 -1.829
130 HD21 LEU 13 1HD2 LEU 13 9.759 -6.221 -0.443
131 HD22 LEU 13 2HD2 LEU 13 10.668 -5.134 -1.526
132 HD23 LEU 13 3HD2 LEU 13 10.788 -4.947 0.231
133 HN1 NH2 14 1HN NH2 14 12.215 -0.085 0.638
134 HN2 NH2 14 2HN NH2 14 10.523 -0.252 -0.096
Start of MODEL 11
1 H1 PHE 1 1H PHE 1 -12.479 7.124 2.402
2 H2 PHE 1 2H PHE 1 -12.966 6.152 1.138
3 H3 PHE 1 3H PHE 1 -12.600 5.483 2.579
4 HA PHE 1 HA PHE 1 -10.608 6.812 0.828
5 HB2 PHE 1 2HB PHE 1 -8.903 6.051 2.407
6 HB3 PHE 1 1HB PHE 1 -10.014 7.102 3.218
7 HD1 PHE 1 HD1 PHE 1 -8.685 3.634 3.033
8 HD2 PHE 1 HD2 PHE 1 -11.655 6.128 4.921
9 HE1 PHE 1 HE1 PHE 1 -9.116 1.885 4.708
10 HE2 PHE 1 HE2 PHE 1 -12.087 4.352 6.558
11 HZ PHE 1 HZ PHE 1 -10.817 2.238 6.466
12 H VAL 2 H VAL 2 -9.085 5.350 -0.201
13 HA VAL 2 HA VAL 2 -10.348 2.698 -0.861
14 HB VAL 2 HB VAL 2 -9.779 4.274 -2.725
15 HG11 VAL 2 1HG1 VAL 2 -7.423 4.924 -1.858
16 HG12 VAL 2 2HG1 VAL 2 -6.872 3.313 -2.333
17 HG13 VAL 2 3HG1 VAL 2 -7.474 4.443 -3.574
18 HG21 VAL 2 1HG2 VAL 2 -9.044 2.459 -4.261
19 HG22 VAL 2 2HG2 VAL 2 -8.526 1.460 -2.886
20 HG23 VAL 2 3HG2 VAL 2 -10.247 1.851 -3.117
21 HA PH6 3 HA TCP 3 -7.068 0.694 1.714
22 HB2 PH6 3 1HB TCP 3 -8.461 -1.038 2.107
23 HB3 PH6 3 2HB TCP 3 -7.511 -1.930 0.940
24 HG2 PH6 3 HG TCP 3 -8.986 -1.554 -0.857
25 HD2 PH6 3 1HD TCP 3 -10.523 0.773 0.319
26 HD3 PH6 3 2HD TCP 3 -9.902 0.474 -1.307
27 H1 PH6 3 H19 TCP 3 -10.261 -2.921 0.745
28 H61 PH6 3 H20 TCP 3 -10.434 -1.366 2.733
29 H62 PH6 3 H21 TCP 3 -11.475 -0.277 1.841
30 H21 PH6 3 H17 TCP 3 -11.307 -2.377 -1.461
31 H22 PH6 3 H18 TCP 3 -12.010 -0.902 -0.815
32 H51 PH6 3 H11 TCP 3 -12.814 -1.694 3.315
33 H52 PH6 3 H12 TCP 3 -12.127 -3.167 2.620
34 H41 PH6 3 H13 TCP 3 -14.390 -2.674 1.601
35 H42 PH6 3 H14 TCP 3 -13.844 -1.073 1.101
36 H31 PH6 3 H15 TCP 3 -13.733 -2.678 -0.840
37 H32 PH6 3 H16 TCP 3 -12.694 -3.766 0.081
38 H TRP 4 H TRP 4 -5.087 0.994 1.131
39 HA TRP 4 HA TRP 4 -4.004 0.186 -1.612
40 HB2 TRP 4 1HB TRP 4 -2.911 1.986 0.629
41 HB3 TRP 4 2HB TRP 4 -1.976 1.478 -0.723
42 HD1 TRP 4 HD1 TRP 4 -3.497 1.998 -3.340
43 HE1 TRP 4 HE1 TRP 4 -4.532 4.311 -4.098
44 HE3 TRP 4 HE3 TRP 4 -3.793 4.066 1.309
45 HZ2 TRP 4 HZ2 TRP 4 -5.207 6.694 -2.708
46 HZ3 TRP 4 HZ3 TRP 4 -4.664 6.364 1.547
47 HH2 TRP 4 HH2 TRP 4 -5.376 7.660 -0.428
48 H PHE 5 H PHE 5 -3.761 -1.970 -1.443
49 HA PHE 5 HA PHE 5 -2.197 -3.271 0.735
50 HB2 PHE 5 2HB PHE 5 -3.040 -4.651 -1.874
51 HB3 PHE 5 1HB PHE 5 -2.657 -5.381 -0.348
52 HD1 PHE 5 HD1 PHE 5 -5.301 -4.368 -2.457
53 HD2 PHE 5 HD2 PHE 5 -4.271 -4.576 1.715
54 HE1 PHE 5 HE1 PHE 5 -7.683 -4.369 -1.867
55 HE2 PHE 5 HE2 PHE 5 -6.665 -4.578 2.295
56 HZ PHE 5 HZ PHE 5 -8.376 -4.501 0.504
57 H SER 6 H SER 6 -1.621 -3.488 -2.766
58 HA SER 6 HA SER 6 1.254 -4.054 -2.703
59 HB2 SER 6 2HB SER 6 0.170 -4.534 -4.748
60 HB3 SER 6 1HB SER 6 -0.688 -2.989 -4.834
61 HG SER 6 HG SER 6 1.067 -3.019 -6.286
62 H LYS 7 H LYS 7 -0.362 -0.919 -2.969
63 HA LYS 7 HA LYS 7 2.000 0.792 -3.081
64 HB2 LYS 7 2HB LYS 7 -0.917 1.136 -2.727
65 HB3 LYS 7 1HB LYS 7 -0.151 2.026 -1.452
66 HG2 LYS 7 2HG LYS 7 0.875 2.368 -4.312
67 HG3 LYS 7 1HG LYS 7 -0.644 3.077 -3.866
68 HD2 LYS 7 2HD LYS 7 1.604 3.601 -1.846
69 HD3 LYS 7 1HD LYS 7 1.933 4.178 -3.457
70 HE2 LYS 7 2HE LYS 7 -0.693 5.164 -3.196
71 HE3 LYS 7 1HE LYS 7 -0.320 5.010 -1.488
72 HZ1 LYS 7 1HZ LYS 7 0.403 7.240 -2.459
73 HZ2 LYS 7 2HZ LYS 7 1.731 6.421 -1.908
74 HZ3 LYS 7 3HZ LYS 7 1.399 6.476 -3.516
75 H PHE 8 H PHE 8 0.574 -0.690 -0.278
76 HA PHE 8 HA PHE 8 2.320 0.620 1.779
77 HB2 PHE 8 2HB PHE 8 0.063 -1.428 1.741
78 HB3 PHE 8 1HB PHE 8 1.346 -1.895 2.781
79 HD1 PHE 8 HD1 PHE 8 -0.238 1.468 1.965
80 HD2 PHE 8 HD2 PHE 8 0.923 -1.347 4.997
81 HE1 PHE 8 HE1 PHE 8 -0.986 3.036 3.712
82 HE2 PHE 8 HE2 PHE 8 0.137 0.199 6.733
83 HZ PHE 8 HZ PHE 8 -0.813 2.399 6.103
84 H LEU 9 H LEU 9 2.232 -2.680 0.418
85 HA LEU 9 HA LEU 9 4.838 -3.500 1.406
86 HB2 LEU 9 2HB LEU 9 2.799 -4.580 -0.445
87 HB3 LEU 9 1HB LEU 9 4.339 -4.739 -1.214
88 HG LEU 9 HG LEU 9 3.774 -5.766 1.631
89 HD11 LEU 9 1HD1 LEU 9 4.146 -7.985 -0.147
90 HD12 LEU 9 2HD1 LEU 9 2.625 -7.431 0.569
91 HD13 LEU 9 3HD1 LEU 9 3.093 -6.896 -1.054
92 HD21 LEU 9 1HD2 LEU 9 5.930 -7.125 1.180
93 HD22 LEU 9 2HD2 LEU 9 6.219 -6.095 -0.241
94 HD23 LEU 9 3HD2 LEU 9 6.194 -5.391 1.389
95 H GLY 10 H GLY 10 4.108 -1.799 -1.626
96 HA2 GLY 10 1HA GLY 10 6.811 -1.645 -2.764
97 HA3 GLY 10 2HA GLY 10 5.549 -0.467 -3.039
98 H ARG 11 H ARG 11 5.293 0.550 -0.447
99 HA ARG 11 HA ARG 11 7.695 2.373 -0.173
100 HB2 ARG 11 2HB ARG 11 5.005 2.063 1.308
101 HB3 ARG 11 1HB ARG 11 6.278 2.951 2.051
102 HG2 ARG 11 2HG ARG 11 5.917 3.843 -0.805
103 HG3 ARG 11 1HG ARG 11 4.411 3.912 0.107
104 HD2 ARG 11 2HD ARG 11 5.742 5.129 2.005
105 HD3 ARG 11 1HD ARG 11 7.134 5.187 0.903
106 HE ARG 11 HE ARG 11 4.994 6.332 -0.612
107 HH11 ARG 11 1HH1 ARG 11 6.238 8.852 2.244
108 HH12 ARG 11 2HH1 ARG 11 6.625 7.072 2.348
109 HH21 ARG 11 1HH2 ARG 11 5.107 9.525 0.577
110 HH22 ARG 11 2HH2 ARG 11 4.566 8.373 -0.727
111 H ILE 12 H ILE 12 6.256 -0.141 1.927
112 HA ILE 12 HA ILE 12 8.440 -0.069 3.934
113 HB ILE 12 HB ILE 12 6.515 -2.377 3.380
114 HG12 ILE 12 2HG1 ILE 12 6.020 -0.017 5.300
115 HG13 ILE 12 1HG1 ILE 12 5.178 -0.312 3.806
116 HG21 ILE 12 1HG2 ILE 12 7.632 -3.465 5.055
117 HG22 ILE 12 2HG2 ILE 12 8.696 -2.091 5.365
118 HG23 ILE 12 3HG2 ILE 12 7.173 -2.218 6.231
119 HD11 ILE 12 1HD1 ILE 12 4.706 -1.619 6.433
120 HD12 ILE 12 2HD1 ILE 12 3.592 -1.397 5.059
121 HD13 ILE 12 3HD1 ILE 12 4.717 -2.774 5.083
122 H LEU 13 H LEU 13 8.041 -1.936 0.953
123 HA LEU 13 HA LEU 13 10.192 -3.815 1.053
124 HB2 LEU 13 2HB LEU 13 8.747 -2.229 -1.105
125 HB3 LEU 13 1HB LEU 13 10.292 -2.758 -1.596
126 HG LEU 13 HG LEU 13 8.222 -4.741 -0.480
127 HD11 LEU 13 1HD1 LEU 13 7.160 -3.938 -2.442
128 HD12 LEU 13 2HD1 LEU 13 8.678 -3.656 -3.324
129 HD13 LEU 13 3HD1 LEU 13 8.069 -5.309 -3.079
130 HD21 LEU 13 1HD2 LEU 13 10.998 -4.997 -1.801
131 HD22 LEU 13 2HD2 LEU 13 10.382 -5.769 -0.326
132 HD23 LEU 13 3HD2 LEU 13 9.821 -6.325 -1.912
133 HN1 NH2 14 1HN NH2 14 12.418 -0.435 0.478
134 HN2 NH2 14 2HN NH2 14 10.617 -0.375 0.110
Start of MODEL 12
1 H1 PHE 1 1H PHE 1 -11.115 7.310 3.101
2 H2 PHE 1 2H PHE 1 -11.781 6.606 1.743
3 H3 PHE 1 3H PHE 1 -11.451 5.688 3.045
4 HA PHE 1 HA PHE 1 -9.379 6.998 1.375
5 HB2 PHE 1 2HB PHE 1 -7.715 5.946 2.746
6 HB3 PHE 1 1HB PHE 1 -8.738 6.826 3.825
7 HD1 PHE 1 HD1 PHE 1 -10.622 5.404 5.110
8 HD2 PHE 1 HD2 PHE 1 -7.264 3.587 3.103
9 HE1 PHE 1 HE1 PHE 1 -11.022 3.308 6.311
10 HE2 PHE 1 HE2 PHE 1 -7.657 1.514 4.363
11 HZ PHE 1 HZ PHE 1 -9.537 1.368 5.962
12 H VAL 2 H VAL 2 -7.887 5.290 0.405
13 HA VAL 2 HA VAL 2 -9.589 3.103 -0.794
14 HB VAL 2 HB VAL 2 -8.566 4.783 -2.351
15 HG11 VAL 2 1HG1 VAL 2 -5.944 3.217 -1.954
16 HG12 VAL 2 2HG1 VAL 2 -6.213 4.633 -3.002
17 HG13 VAL 2 3HG1 VAL 2 -6.199 4.805 -1.229
18 HG21 VAL 2 1HG2 VAL 2 -8.062 3.100 -4.101
19 HG22 VAL 2 2HG2 VAL 2 -7.833 1.831 -2.875
20 HG23 VAL 2 3HG2 VAL 2 -9.436 2.563 -3.126
21 HA PH6 3 HA TCP 3 -6.940 0.146 1.630
22 HB2 PH6 3 1HB TCP 3 -8.708 -1.263 1.709
23 HB3 PH6 3 2HB TCP 3 -7.859 -2.188 0.495
24 HG2 PH6 3 HG TCP 3 -9.039 -1.295 -1.334
25 HD2 PH6 3 1HD TCP 3 -10.224 1.110 0.074
26 HD3 PH6 3 2HD TCP 3 -9.524 0.918 -1.539
27 H1 PH6 3 H19 TCP 3 -12.722 -2.720 1.648
28 H61 PH6 3 H20 TCP 3 -14.756 -1.648 0.589
29 H62 PH6 3 H21 TCP 3 -13.876 -0.134 0.375
30 H21 PH6 3 H17 TCP 3 -11.476 0.064 1.366
31 H22 PH6 3 H18 TCP 3 -13.180 -1.253 2.523
32 H51 PH6 3 H11 TCP 3 -13.901 -1.442 -1.781
33 H52 PH6 3 H12 TCP 3 -13.168 -2.833 -0.980
34 H41 PH6 3 H13 TCP 3 -11.415 -1.546 -2.206
35 H42 PH6 3 H14 TCP 3 -11.885 -0.065 -1.384
36 H31 PH6 3 H15 TCP 3 -10.685 -2.589 -0.052
37 H32 PH6 3 H16 TCP 3 -10.744 -1.326 2.139
38 H TRP 4 H TRP 4 -5.092 0.979 0.705
39 HA TRP 4 HA TRP 4 -3.951 -0.117 -1.824
40 HB2 TRP 4 1HB TRP 4 -2.899 1.675 0.434
41 HB3 TRP 4 2HB TRP 4 -1.786 0.975 -0.673
42 HD1 TRP 4 HD1 TRP 4 -3.517 1.299 -3.513
43 HE1 TRP 4 HE1 TRP 4 -3.810 3.678 -4.626
44 HE3 TRP 4 HE3 TRP 4 -2.632 4.035 0.705
45 HZ2 TRP 4 HZ2 TRP 4 -3.556 6.316 -3.655
46 HZ3 TRP 4 HZ3 TRP 4 -2.702 6.502 0.556
47 HH2 TRP 4 HH2 TRP 4 -3.174 7.629 -1.587
48 H PHE 5 H PHE 5 -3.917 -2.263 -1.721
49 HA PHE 5 HA PHE 5 -2.584 -3.811 0.394
50 HB2 PHE 5 2HB PHE 5 -3.182 -4.915 -2.408
51 HB3 PHE 5 1HB PHE 5 -3.063 -5.783 -0.912
52 HD1 PHE 5 HD1 PHE 5 -4.884 -4.774 0.995
53 HD2 PHE 5 HD2 PHE 5 -5.346 -4.656 -3.281
54 HE1 PHE 5 HE1 PHE 5 -7.325 -4.610 1.252
55 HE2 PHE 5 HE2 PHE 5 -7.780 -4.474 -3.009
56 HZ PHE 5 HZ PHE 5 -8.779 -4.461 -0.747
57 H SER 6 H SER 6 -1.676 -3.715 -3.023
58 HA SER 6 HA SER 6 1.172 -4.369 -2.576
59 HB2 SER 6 2HB SER 6 -0.080 -3.152 -5.127
60 HB3 SER 6 1HB SER 6 1.434 -4.058 -4.990
61 HG SER 6 HG SER 6 -0.204 -5.433 -5.714
62 H LYS 7 H LYS 7 -0.489 -1.312 -3.164
63 HA LYS 7 HA LYS 7 1.833 0.492 -3.409
64 HB2 LYS 7 2HB LYS 7 -1.105 0.808 -3.073
65 HB3 LYS 7 1HB LYS 7 -0.314 1.827 -1.918
66 HG2 LYS 7 2HG LYS 7 -0.514 3.276 -3.652
67 HG3 LYS 7 1HG LYS 7 1.162 2.794 -3.726
68 HD2 LYS 7 2HD LYS 7 -0.310 0.859 -5.397
69 HD3 LYS 7 1HD LYS 7 -1.122 2.384 -5.637
70 HE2 LYS 7 2HE LYS 7 1.590 3.203 -5.902
71 HE3 LYS 7 1HE LYS 7 1.755 1.500 -6.316
72 HZ1 LYS 7 1HZ LYS 7 1.180 2.897 -8.333
73 HZ2 LYS 7 2HZ LYS 7 -0.058 1.848 -8.057
74 HZ3 LYS 7 3HZ LYS 7 -0.203 3.420 -7.623
75 H PHE 8 H PHE 8 0.276 -0.803 -0.540
76 HA PHE 8 HA PHE 8 1.835 0.780 1.432
77 HB2 PHE 8 2HB PHE 8 -0.456 -0.745 1.670
78 HB3 PHE 8 1HB PHE 8 0.656 -1.979 2.125
79 HD1 PHE 8 HD1 PHE 8 2.498 -1.185 3.963
80 HD2 PHE 8 HD2 PHE 8 -1.271 0.740 3.274
81 HE1 PHE 8 HE1 PHE 8 2.642 -0.111 6.181
82 HE2 PHE 8 HE2 PHE 8 -1.139 1.791 5.501
83 HZ PHE 8 HZ PHE 8 0.834 1.384 6.950
84 H LEU 9 H LEU 9 2.042 -2.669 0.439
85 HA LEU 9 HA LEU 9 4.637 -3.263 1.569
86 HB2 LEU 9 2HB LEU 9 2.772 -4.535 -0.389
87 HB3 LEU 9 1HB LEU 9 4.348 -4.643 -1.005
88 HG LEU 9 HG LEU 9 4.694 -5.441 1.772
89 HD11 LEU 9 1HD1 LEU 9 2.955 -7.395 1.770
90 HD12 LEU 9 2HD1 LEU 9 2.385 -5.777 2.210
91 HD13 LEU 9 3HD1 LEU 9 2.033 -6.436 0.595
92 HD21 LEU 9 1HD2 LEU 9 4.820 -6.829 -0.943
93 HD22 LEU 9 2HD2 LEU 9 6.079 -6.528 0.272
94 HD23 LEU 9 3HD2 LEU 9 4.883 -7.804 0.537
95 H GLY 10 H GLY 10 3.978 -1.767 -1.570
96 HA2 GLY 10 1HA GLY 10 6.713 -1.588 -2.636
97 HA3 GLY 10 2HA GLY 10 5.430 -0.454 -3.000
98 H ARG 11 H ARG 11 5.032 0.703 -0.523
99 HA ARG 11 HA ARG 11 7.385 2.567 -0.196
100 HB2 ARG 11 2HB ARG 11 4.590 2.314 1.076
101 HB3 ARG 11 1HB ARG 11 5.786 3.244 1.913
102 HG2 ARG 11 2HG ARG 11 5.458 3.860 -1.059
103 HG3 ARG 11 1HG ARG 11 4.148 4.346 -0.020
104 HD2 ARG 11 2HD ARG 11 7.107 5.038 0.623
105 HD3 ARG 11 1HD ARG 11 6.142 6.053 -0.461
106 HE ARG 11 HE ARG 11 4.490 5.766 1.881
107 HH11 ARG 11 1HH1 ARG 11 7.578 8.142 2.731
108 HH12 ARG 11 2HH1 ARG 11 7.693 6.949 1.350
109 HH21 ARG 11 1HH2 ARG 11 5.760 8.226 3.833
110 HH22 ARG 11 2HH2 ARG 11 4.361 7.134 3.424
111 H ILE 12 H ILE 12 5.899 0.100 1.908
112 HA ILE 12 HA ILE 12 7.947 0.307 4.048
113 HB ILE 12 HB ILE 12 6.137 -2.081 3.409
114 HG12 ILE 12 2HG1 ILE 12 4.669 -0.144 3.723
115 HG13 ILE 12 1HG1 ILE 12 4.495 -1.291 5.020
116 HG21 ILE 12 1HG2 ILE 12 7.532 -1.313 6.058
117 HG22 ILE 12 2HG2 ILE 12 6.361 -2.645 5.881
118 HG23 ILE 12 3HG2 ILE 12 7.920 -2.710 5.042
119 HD11 ILE 12 1HD1 ILE 12 4.518 1.245 5.668
120 HD12 ILE 12 2HD1 ILE 12 5.623 0.211 6.609
121 HD13 ILE 12 3HD1 ILE 12 6.257 1.252 5.309
122 H LEU 13 H LEU 13 7.825 -1.669 1.124
123 HA LEU 13 HA LEU 13 10.072 -3.406 1.509
124 HB2 LEU 13 2HB LEU 13 8.665 -2.116 -0.875
125 HB3 LEU 13 1HB LEU 13 10.253 -2.662 -1.225
126 HG LEU 13 HG LEU 13 8.160 -4.535 0.020
127 HD11 LEU 13 1HD1 LEU 13 8.016 -5.436 -2.408
128 HD12 LEU 13 2HD1 LEU 13 7.305 -3.829 -2.177
129 HD13 LEU 13 3HD1 LEU 13 8.904 -3.990 -2.940
130 HD21 LEU 13 1HD2 LEU 13 9.729 -6.320 -0.582
131 HD22 LEU 13 2HD2 LEU 13 10.749 -5.220 -1.548
132 HD23 LEU 13 3HD2 LEU 13 10.728 -5.097 0.217
133 HN1 NH2 14 1HN NH2 14 12.118 0.025 0.577
134 HN2 NH2 14 2HN NH2 14 10.361 -0.127 0.035
Start of MODEL 13
1 H1 PHE 1 1H PHE 1 -12.342 7.236 1.737
2 H2 PHE 1 2H PHE 1 -13.001 5.964 0.889
3 H3 PHE 1 3H PHE 1 -12.268 5.684 2.318
4 HA PHE 1 HA PHE 1 -10.854 6.622 -0.118
5 HB2 PHE 1 2HB PHE 1 -8.799 6.470 1.104
6 HB3 PHE 1 1HB PHE 1 -9.846 7.474 2.045
7 HD1 PHE 1 HD1 PHE 1 -10.750 6.589 4.283
8 HD2 PHE 1 HD2 PHE 1 -8.042 4.245 1.899
9 HE1 PHE 1 HE1 PHE 1 -10.410 5.040 6.164
10 HE2 PHE 1 HE2 PHE 1 -7.742 2.690 3.775
11 HZ PHE 1 HZ PHE 1 -8.913 3.091 5.915
12 H VAL 2 H VAL 2 -9.411 4.996 -1.087
13 HA VAL 2 HA VAL 2 -10.617 2.263 -0.972
14 HB VAL 2 HB VAL 2 -10.126 3.387 -3.162
15 HG11 VAL 2 1HG1 VAL 2 -7.719 4.194 -2.570
16 HG12 VAL 2 2HG1 VAL 2 -7.211 2.506 -2.688
17 HG13 VAL 2 3HG1 VAL 2 -7.862 3.331 -4.123
18 HG21 VAL 2 1HG2 VAL 2 -9.432 1.268 -4.292
19 HG22 VAL 2 2HG2 VAL 2 -8.884 0.590 -2.745
20 HG23 VAL 2 3HG2 VAL 2 -10.609 0.942 -3.011
21 HA PH6 3 HA TCP 3 -7.192 0.806 1.821
22 HB2 PH6 3 1HB TCP 3 -8.621 -0.727 2.665
23 HB3 PH6 3 2HB TCP 3 -7.736 -1.897 1.716
24 HG2 PH6 3 HG TCP 3 -9.253 -1.907 -0.088
25 HD2 PH6 3 1HD TCP 3 -10.737 0.641 0.610
26 HD3 PH6 3 2HD TCP 3 -10.197 -0.018 -0.939
27 H1 PH6 3 H19 TCP 3 -12.243 -2.691 3.776
28 H61 PH6 3 H20 TCP 3 -14.549 -2.397 2.774
29 H62 PH6 3 H21 TCP 3 -14.019 -0.950 1.915
30 H21 PH6 3 H17 TCP 3 -11.619 -0.046 2.363
31 H22 PH6 3 H18 TCP 3 -12.894 -1.093 4.166
32 H51 PH6 3 H11 TCP 3 -14.004 -2.940 0.366
33 H52 PH6 3 H12 TCP 3 -12.927 -3.817 1.455
34 H41 PH6 3 H13 TCP 3 -11.605 -2.814 -0.410
35 H42 PH6 3 H14 TCP 3 -12.275 -1.225 -0.071
36 H31 PH6 3 H15 TCP 3 -10.463 -2.881 1.814
37 H32 PH6 3 H16 TCP 3 -10.547 -0.931 3.426
38 H TRP 4 H TRP 4 -5.692 1.539 0.294
39 HA TRP 4 HA TRP 4 -4.625 -0.233 -1.814
40 HB2 TRP 4 1HB TRP 4 -3.641 2.388 -0.566
41 HB3 TRP 4 2HB TRP 4 -2.652 1.437 -1.638
42 HD1 TRP 4 HD1 TRP 4 -4.576 0.520 -3.985
43 HE1 TRP 4 HE1 TRP 4 -5.470 2.250 -5.769
44 HE3 TRP 4 HE3 TRP 4 -3.906 4.707 -1.131
45 HZ2 TRP 4 HZ2 TRP 4 -5.714 5.072 -5.786
46 HZ3 TRP 4 HZ3 TRP 4 -4.481 6.911 -2.099
47 HH2 TRP 4 HH2 TRP 4 -5.396 7.092 -4.381
48 H PHE 5 H PHE 5 -4.087 -2.125 -1.046
49 HA PHE 5 HA PHE 5 -2.211 -2.613 1.171
50 HB2 PHE 5 2HB PHE 5 -2.905 -4.707 -0.957
51 HB3 PHE 5 1HB PHE 5 -2.422 -4.964 0.693
52 HD1 PHE 5 HD1 PHE 5 -5.177 -5.041 -1.448
53 HD2 PHE 5 HD2 PHE 5 -4.145 -3.689 2.504
54 HE1 PHE 5 HE1 PHE 5 -7.539 -5.148 -0.790
55 HE2 PHE 5 HE2 PHE 5 -6.516 -3.810 3.152
56 HZ PHE 5 HZ PHE 5 -8.217 -4.549 1.510
57 H SER 6 H SER 6 -1.809 -3.087 -2.324
58 HA SER 6 HA SER 6 1.062 -3.648 -2.466
59 HB2 SER 6 2HB SER 6 -1.015 -2.474 -4.414
60 HB3 SER 6 1HB SER 6 0.679 -2.337 -4.830
61 HG SER 6 HG SER 6 -0.256 -4.854 -3.953
62 H LYS 7 H LYS 7 -0.521 -0.507 -2.215
63 HA LYS 7 HA LYS 7 1.856 1.254 -2.478
64 HB2 LYS 7 2HB LYS 7 -0.731 1.549 -0.835
65 HB3 LYS 7 1HB LYS 7 0.444 2.811 -0.890
66 HG2 LYS 7 2HG LYS 7 -0.773 1.732 -3.514
67 HG3 LYS 7 1HG LYS 7 -1.559 2.987 -2.582
68 HD2 LYS 7 2HD LYS 7 -0.031 4.626 -2.914
69 HD3 LYS 7 1HD LYS 7 1.351 3.591 -3.112
70 HE2 LYS 7 2HE LYS 7 -0.893 3.398 -5.253
71 HE3 LYS 7 1HE LYS 7 0.031 4.888 -5.211
72 HZ1 LYS 7 1HZ LYS 7 1.183 3.161 -6.650
73 HZ2 LYS 7 2HZ LYS 7 2.143 3.553 -5.381
74 HZ3 LYS 7 3HZ LYS 7 1.325 2.139 -5.369
75 H PHE 8 H PHE 8 0.624 -0.555 0.284
76 HA PHE 8 HA PHE 8 2.558 0.522 2.267
77 HB2 PHE 8 2HB PHE 8 0.184 -0.874 2.572
78 HB3 PHE 8 1HB PHE 8 1.241 -2.244 2.551
79 HD1 PHE 8 HD1 PHE 8 3.478 -1.965 4.131
80 HD2 PHE 8 HD2 PHE 8 -0.218 0.155 4.650
81 HE1 PHE 8 HE1 PHE 8 4.089 -1.457 6.469
82 HE2 PHE 8 HE2 PHE 8 0.397 0.634 6.990
83 HZ PHE 8 HZ PHE 8 2.575 -0.144 7.885
84 H LEU 9 H LEU 9 2.351 -2.654 0.598
85 HA LEU 9 HA LEU 9 5.026 -3.582 1.207
86 HB2 LEU 9 2HB LEU 9 2.829 -4.396 -0.648
87 HB3 LEU 9 1HB LEU 9 4.296 -4.470 -1.504
88 HG LEU 9 HG LEU 9 4.858 -5.713 1.108
89 HD11 LEU 9 1HD1 LEU 9 2.198 -5.923 0.990
90 HD12 LEU 9 2HD1 LEU 9 2.529 -7.174 -0.231
91 HD13 LEU 9 3HD1 LEU 9 3.186 -7.328 1.416
92 HD21 LEU 9 1HD2 LEU 9 6.075 -6.239 -0.987
93 HD22 LEU 9 2HD2 LEU 9 5.343 -7.711 -0.320
94 HD23 LEU 9 3HD2 LEU 9 4.602 -6.907 -1.724
95 H GLY 10 H GLY 10 4.077 -1.499 -1.469
96 HA2 GLY 10 1HA GLY 10 6.645 -1.263 -2.880
97 HA3 GLY 10 2HA GLY 10 5.420 -0.014 -2.833
98 H ARG 11 H ARG 11 5.466 0.625 -0.126
99 HA ARG 11 HA ARG 11 7.953 2.323 0.144
100 HB2 ARG 11 2HB ARG 11 5.523 1.841 1.992
101 HB3 ARG 11 1HB ARG 11 6.851 2.858 2.452
102 HG2 ARG 11 2HG ARG 11 5.638 3.496 -0.270
103 HG3 ARG 11 1HG ARG 11 4.567 3.731 1.067
104 HD2 ARG 11 2HD ARG 11 7.419 4.839 1.414
105 HD3 ARG 11 1HD ARG 11 6.484 5.579 0.115
106 HE ARG 11 HE ARG 11 4.682 5.539 2.375
107 HH11 ARG 11 1HH1 ARG 11 7.483 8.335 2.877
108 HH12 ARG 11 2HH1 ARG 11 7.792 6.911 1.774
109 HH21 ARG 11 1HH2 ARG 11 5.586 8.450 3.849
110 HH22 ARG 11 2HH2 ARG 11 4.324 7.161 3.596
111 H ILE 12 H ILE 12 6.615 -0.436 1.974
112 HA ILE 12 HA ILE 12 8.957 -0.744 3.765
113 HB ILE 12 HB ILE 12 6.877 -2.866 3.008
114 HG12 ILE 12 2HG1 ILE 12 5.649 -0.945 3.876
115 HG13 ILE 12 1HG1 ILE 12 5.572 -2.312 4.952
116 HG21 ILE 12 1HG2 ILE 12 9.007 -2.775 5.197
117 HG22 ILE 12 2HG2 ILE 12 7.487 -3.620 5.551
118 HG23 ILE 12 3HG2 ILE 12 8.492 -4.130 4.179
119 HD11 ILE 12 1HD1 ILE 12 5.885 0.024 6.070
120 HD12 ILE 12 2HD1 ILE 12 7.064 -1.209 6.585
121 HD13 ILE 12 3HD1 ILE 12 7.536 0.053 5.418
122 H LEU 13 H LEU 13 8.271 -2.130 0.603
123 HA LEU 13 HA LEU 13 10.413 -4.029 0.285
124 HB2 LEU 13 2HB LEU 13 8.798 -2.170 -1.527
125 HB3 LEU 13 1HB LEU 13 10.247 -2.752 -2.228
126 HG LEU 13 HG LEU 13 8.239 -4.737 -1.020
127 HD11 LEU 13 1HD1 LEU 13 6.785 -4.086 -2.677
128 HD12 LEU 13 2HD1 LEU 13 7.985 -3.110 -3.542
129 HD13 LEU 13 3HD1 LEU 13 7.881 -4.851 -3.835
130 HD21 LEU 13 1HD2 LEU 13 9.429 -6.302 -2.649
131 HD22 LEU 13 2HD2 LEU 13 10.534 -4.977 -3.092
132 HD23 LEU 13 3HD2 LEU 13 10.537 -5.628 -1.438
133 HN1 NH2 14 1HN NH2 14 12.538 -0.554 -0.182
134 HN2 NH2 14 2HN NH2 14 10.714 -0.502 -0.418
Start of MODEL 14
1 H1 PHE 1 1H PHE 1 -12.358 7.360 1.798
2 H2 PHE 1 2H PHE 1 -12.787 6.342 0.547
3 H3 PHE 1 3H PHE 1 -12.653 5.755 2.066
4 HA PHE 1 HA PHE 1 -10.351 6.769 0.498
5 HB2 PHE 1 2HB PHE 1 -8.928 5.929 2.313
6 HB3 PHE 1 1HB PHE 1 -9.968 7.190 2.885
7 HD1 PHE 1 HD1 PHE 1 -9.037 3.631 3.261
8 HD2 PHE 1 HD2 PHE 1 -11.981 6.578 4.380
9 HE1 PHE 1 HE1 PHE 1 -9.887 2.142 5.026
10 HE2 PHE 1 HE2 PHE 1 -12.840 5.052 6.096
11 HZ PHE 1 HZ PHE 1 -11.792 2.843 6.435
12 H VAL 2 H VAL 2 -9.135 5.203 -0.596
13 HA VAL 2 HA VAL 2 -10.524 2.589 -1.028
14 HB VAL 2 HB VAL 2 -9.734 3.978 -2.961
15 HG11 VAL 2 1HG1 VAL 2 -7.357 4.484 -1.971
16 HG12 VAL 2 2HG1 VAL 2 -6.955 2.813 -2.371
17 HG13 VAL 2 3HG1 VAL 2 -7.403 3.946 -3.671
18 HG21 VAL 2 1HG2 VAL 2 -10.358 1.581 -3.256
19 HG22 VAL 2 2HG2 VAL 2 -9.018 2.009 -4.330
20 HG23 VAL 2 3HG2 VAL 2 -8.699 1.070 -2.858
21 HA PH6 3 HA TCP 3 -7.504 0.492 1.827
22 HB2 PH6 3 1HB TCP 3 -9.112 -1.031 2.272
23 HB3 PH6 3 2HB TCP 3 -8.187 -2.115 1.266
24 HG2 PH6 3 HG TCP 3 -9.487 -1.758 -0.678
25 HD2 PH6 3 1HD TCP 3 -10.902 0.758 0.242
26 HD3 PH6 3 2HD TCP 3 -10.223 0.299 -1.323
27 H1 PH6 3 H19 TCP 3 -12.941 -2.881 2.684
28 H61 PH6 3 H20 TCP 3 -15.098 -2.280 1.505
29 H62 PH6 3 H21 TCP 3 -14.396 -0.764 0.939
30 H21 PH6 3 H17 TCP 3 -12.015 -0.109 1.768
31 H22 PH6 3 H18 TCP 3 -13.542 -1.316 3.245
32 H51 PH6 3 H11 TCP 3 -14.312 -2.502 -0.888
33 H52 PH6 3 H12 TCP 3 -13.416 -3.603 0.160
34 H41 PH6 3 H13 TCP 3 -11.838 -2.435 -1.381
35 H42 PH6 3 H14 TCP 3 -12.453 -0.869 -0.873
36 H31 PH6 3 H15 TCP 3 -10.962 -2.909 0.914
37 H32 PH6 3 H16 TCP 3 -11.121 -1.216 2.788
38 H TRP 4 H TRP 4 -5.822 1.351 0.591
39 HA TRP 4 HA TRP 4 -4.614 -0.159 -1.645
40 HB2 TRP 4 1HB TRP 4 -3.686 2.193 0.094
41 HB3 TRP 4 2HB TRP 4 -2.573 1.411 -0.973
42 HD1 TRP 4 HD1 TRP 4 -4.339 0.909 -3.652
43 HE1 TRP 4 HE1 TRP 4 -4.957 2.929 -5.234
44 HE3 TRP 4 HE3 TRP 4 -3.757 4.571 -0.141
45 HZ2 TRP 4 HZ2 TRP 4 -5.000 5.750 -4.847
46 HZ3 TRP 4 HZ3 TRP 4 -4.061 6.930 -0.817
47 HH2 TRP 4 HH2 TRP 4 -4.690 7.515 -3.129
48 H PHE 5 H PHE 5 -3.611 -1.908 -1.551
49 HA PHE 5 HA PHE 5 -2.192 -2.923 0.950
50 HB2 PHE 5 2HB PHE 5 -2.897 -4.662 -1.476
51 HB3 PHE 5 1HB PHE 5 -2.545 -5.148 0.151
52 HD1 PHE 5 HD1 PHE 5 -5.146 -4.554 -2.181
53 HD2 PHE 5 HD2 PHE 5 -4.295 -4.187 2.020
54 HE1 PHE 5 HE1 PHE 5 -7.550 -4.608 -1.686
55 HE2 PHE 5 HE2 PHE 5 -6.708 -4.245 2.503
56 HZ PHE 5 HZ PHE 5 -8.339 -4.486 0.652
57 H SER 6 H SER 6 -1.658 -3.290 -2.555
58 HA SER 6 HA SER 6 1.185 -3.837 -2.494
59 HB2 SER 6 2HB SER 6 -0.829 -3.365 -4.583
60 HB3 SER 6 1HB SER 6 0.494 -2.275 -4.922
61 HG SER 6 HG SER 6 0.445 -4.865 -5.341
62 H LYS 7 H LYS 7 -0.374 -0.700 -2.568
63 HA LYS 7 HA LYS 7 1.992 1.044 -2.781
64 HB2 LYS 7 2HB LYS 7 -0.505 1.673 -1.109
65 HB3 LYS 7 1HB LYS 7 0.628 2.798 -1.776
66 HG2 LYS 7 2HG LYS 7 -0.300 1.464 -4.138
67 HG3 LYS 7 1HG LYS 7 -1.675 1.352 -3.092
68 HD2 LYS 7 2HD LYS 7 -2.015 3.355 -4.243
69 HD3 LYS 7 1HD LYS 7 -1.487 3.923 -2.677
70 HE2 LYS 7 2HE LYS 7 0.481 4.878 -3.484
71 HE3 LYS 7 1HE LYS 7 0.876 3.500 -4.504
72 HZ1 LYS 7 1HZ LYS 7 0.236 5.429 -5.952
73 HZ2 LYS 7 2HZ LYS 7 -0.890 4.246 -6.118
74 HZ3 LYS 7 3HZ LYS 7 -1.236 5.559 -5.212
75 H PHE 8 H PHE 8 0.612 -0.555 0.017
76 HA PHE 8 HA PHE 8 2.409 0.673 2.068
77 HB2 PHE 8 2HB PHE 8 0.200 -1.436 2.038
78 HB3 PHE 8 1HB PHE 8 1.517 -1.885 3.051
79 HD1 PHE 8 HD1 PHE 8 2.482 -0.125 4.729
80 HD2 PHE 8 HD2 PHE 8 -1.396 0.155 2.904
81 HE1 PHE 8 HE1 PHE 8 1.741 1.370 6.537
82 HE2 PHE 8 HE2 PHE 8 -2.142 1.640 4.719
83 HZ PHE 8 HZ PHE 8 -0.575 2.255 6.544
84 H LEU 9 H LEU 9 2.280 -2.559 0.538
85 HA LEU 9 HA LEU 9 4.912 -3.384 1.447
86 HB2 LEU 9 2HB LEU 9 2.875 -4.470 -0.438
87 HB3 LEU 9 1HB LEU 9 4.440 -4.650 -1.138
88 HG LEU 9 HG LEU 9 3.830 -6.639 0.071
89 HD11 LEU 9 1HD1 LEU 9 6.199 -5.158 1.393
90 HD12 LEU 9 2HD1 LEU 9 5.852 -6.869 1.674
91 HD13 LEU 9 3HD1 LEU 9 6.231 -6.305 0.044
92 HD21 LEU 9 1HD2 LEU 9 2.455 -5.201 1.917
93 HD22 LEU 9 2HD2 LEU 9 3.110 -6.809 2.286
94 HD23 LEU 9 3HD2 LEU 9 3.967 -5.350 2.836
95 H GLY 10 H GLY 10 4.102 -1.676 -1.551
96 HA2 GLY 10 1HA GLY 10 6.718 -1.494 -2.809
97 HA3 GLY 10 2HA GLY 10 5.483 -0.258 -2.930
98 H ARG 11 H ARG 11 5.442 0.586 -0.259
99 HA ARG 11 HA ARG 11 7.906 2.323 -0.035
100 HB2 ARG 11 2HB ARG 11 5.284 1.988 1.555
101 HB3 ARG 11 1HB ARG 11 6.613 2.761 2.346
102 HG2 ARG 11 2HG ARG 11 5.923 3.752 -0.466
103 HG3 ARG 11 1HG ARG 11 4.831 4.143 0.839
104 HD2 ARG 11 2HD ARG 11 7.898 4.641 1.080
105 HD3 ARG 11 1HD ARG 11 6.896 5.822 0.287
106 HE ARG 11 HE ARG 11 7.062 5.355 3.227
107 HH11 ARG 11 1HH1 ARG 11 3.799 7.308 1.995
108 HH12 ARG 11 2HH1 ARG 11 4.851 6.355 0.824
109 HH21 ARG 11 1HH2 ARG 11 4.418 7.326 4.048
110 HH22 ARG 11 2HH2 ARG 11 5.913 6.429 4.578
111 H ILE 12 H ILE 12 6.583 -0.328 1.943
112 HA ILE 12 HA ILE 12 8.899 -0.437 3.800
113 HB ILE 12 HB ILE 12 6.930 -2.692 3.175
114 HG12 ILE 12 2HG1 ILE 12 6.576 -0.512 5.324
115 HG13 ILE 12 1HG1 ILE 12 5.631 -0.669 3.873
116 HG21 ILE 12 1HG2 ILE 12 7.789 -2.752 5.984
117 HG22 ILE 12 2HG2 ILE 12 8.143 -3.913 4.690
118 HG23 ILE 12 3HG2 ILE 12 9.245 -2.572 5.018
119 HD11 ILE 12 1HD1 ILE 12 5.199 -2.060 6.403
120 HD12 ILE 12 2HD1 ILE 12 4.130 -1.984 4.978
121 HD13 ILE 12 3HD1 ILE 12 5.356 -3.260 5.106
122 H LEU 13 H LEU 13 8.281 -1.994 0.686
123 HA LEU 13 HA LEU 13 10.668 -3.758 0.676
124 HB2 LEU 13 2HB LEU 13 8.718 -2.696 -1.464
125 HB3 LEU 13 1HB LEU 13 10.087 -3.651 -1.933
126 HG LEU 13 HG LEU 13 8.032 -4.671 0.092
127 HD11 LEU 13 1HD1 LEU 13 7.249 -6.100 -1.995
128 HD12 LEU 13 2HD1 LEU 13 6.747 -4.405 -1.922
129 HD13 LEU 13 3HD1 LEU 13 8.085 -4.885 -2.984
130 HD21 LEU 13 1HD2 LEU 13 10.610 -5.715 -0.475
131 HD22 LEU 13 2HD2 LEU 13 9.258 -6.596 0.247
132 HD23 LEU 13 3HD2 LEU 13 9.566 -6.701 -1.500
133 HN1 NH2 14 1HN NH2 14 12.891 -0.877 0.262
134 HN2 NH2 14 2HN NH2 14 11.964 -1.799 1.551
Start of MODEL 15
1 H1 PHE 1 1H PHE 1 -11.438 7.739 1.619
2 H2 PHE 1 2H PHE 1 -11.925 6.967 0.223
3 H3 PHE 1 3H PHE 1 -11.945 6.167 1.643
4 HA PHE 1 HA PHE 1 -9.460 7.067 0.296
5 HB2 PHE 1 2HB PHE 1 -8.250 5.759 2.031
6 HB3 PHE 1 1HB PHE 1 -9.079 7.122 2.705
7 HD1 PHE 1 HD1 PHE 1 -11.109 6.772 4.169
8 HD2 PHE 1 HD2 PHE 1 -8.938 3.388 2.606
9 HE1 PHE 1 HE1 PHE 1 -12.314 5.279 5.697
10 HE2 PHE 1 HE2 PHE 1 -10.134 1.919 4.179
11 HZ PHE 1 HZ PHE 1 -11.825 2.859 5.716
12 H VAL 2 H VAL 2 -8.190 5.373 -0.661
13 HA VAL 2 HA VAL 2 -9.886 3.096 -1.654
14 HB VAL 2 HB VAL 2 -8.737 4.602 -3.288
15 HG11 VAL 2 1HG1 VAL 2 -6.418 4.631 -2.042
16 HG12 VAL 2 2HG1 VAL 2 -6.188 2.998 -2.682
17 HG13 VAL 2 3HG1 VAL 2 -6.376 4.367 -3.803
18 HG21 VAL 2 1HG2 VAL 2 -9.630 2.352 -3.939
19 HG22 VAL 2 2HG2 VAL 2 -8.189 2.776 -4.872
20 HG23 VAL 2 3HG2 VAL 2 -8.064 1.602 -3.545
21 HA PH6 3 HA TCP 3 -7.446 0.225 1.109
22 HB2 PH6 3 1HB TCP 3 -9.284 -1.113 1.210
23 HB3 PH6 3 2HB TCP 3 -8.422 -2.170 0.106
24 HG2 PH6 3 HG TCP 3 -9.483 -1.355 -1.831
25 HD2 PH6 3 1HD TCP 3 -10.637 1.197 -0.692
26 HD3 PH6 3 2HD TCP 3 -9.845 0.848 -2.232
27 H1 PH6 3 H19 TCP 3 -11.236 -2.474 -0.525
28 H61 PH6 3 H20 TCP 3 -11.343 -1.025 1.548
29 H62 PH6 3 H21 TCP 3 -11.981 0.319 0.626
30 H21 PH6 3 H17 TCP 3 -11.815 -1.589 -2.792
31 H22 PH6 3 H18 TCP 3 -12.262 -0.028 -2.121
32 H51 PH6 3 H11 TCP 3 -13.791 -0.832 1.800
33 H52 PH6 3 H12 TCP 3 -13.351 -2.383 1.075
34 H41 PH6 3 H13 TCP 3 -15.286 -1.334 -0.174
35 H42 PH6 3 H14 TCP 3 -14.338 0.125 -0.467
36 H31 PH6 3 H15 TCP 3 -14.311 -1.361 -2.506
37 H32 PH6 3 H16 TCP 3 -13.673 -2.703 -1.554
38 H TRP 4 H TRP 4 -5.645 1.151 -0.090
39 HA TRP 4 HA TRP 4 -4.440 -0.280 -2.351
40 HB2 TRP 4 1HB TRP 4 -3.309 1.646 -0.272
41 HB3 TRP 4 2HB TRP 4 -2.236 0.822 -1.401
42 HD1 TRP 4 HD1 TRP 4 -3.665 0.974 -4.172
43 HE1 TRP 4 HE1 TRP 4 -3.811 3.252 -5.506
44 HE3 TRP 4 HE3 TRP 4 -3.243 4.046 -0.134
45 HZ2 TRP 4 HZ2 TRP 4 -3.650 5.975 -4.720
46 HZ3 TRP 4 HZ3 TRP 4 -3.136 6.502 -0.485
47 HH2 TRP 4 HH2 TRP 4 -3.378 7.451 -2.745
48 H PHE 5 H PHE 5 -4.258 -2.368 -2.193
49 HA PHE 5 HA PHE 5 -3.311 -3.944 0.067
50 HB2 PHE 5 2HB PHE 5 -3.206 -4.664 -2.937
51 HB3 PHE 5 1HB PHE 5 -2.997 -5.795 -1.631
52 HD1 PHE 5 HD1 PHE 5 -5.433 -4.377 -3.812
53 HD2 PHE 5 HD2 PHE 5 -4.976 -5.903 0.184
54 HE1 PHE 5 HE1 PHE 5 -7.853 -4.793 -3.687
55 HE2 PHE 5 HE2 PHE 5 -7.401 -6.306 0.299
56 HZ PHE 5 HZ PHE 5 -8.844 -5.761 -1.637
57 H SER 6 H SER 6 -1.518 -2.752 -2.710
58 HA SER 6 HA SER 6 1.191 -3.529 -1.529
59 HB2 SER 6 2HB SER 6 0.423 -2.190 -4.208
60 HB3 SER 6 1HB SER 6 2.060 -2.615 -3.712
61 HG SER 6 HG SER 6 0.414 -4.204 -4.927
62 H LYS 7 H LYS 7 -0.483 -1.561 -0.128
63 HA LYS 7 HA LYS 7 1.009 1.061 -0.432
64 HB2 LYS 7 2HB LYS 7 -1.565 0.443 0.596
65 HB3 LYS 7 1HB LYS 7 -0.705 0.620 2.038
66 HG2 LYS 7 2HG LYS 7 0.216 2.934 0.778
67 HG3 LYS 7 1HG LYS 7 -1.191 2.658 -0.201
68 HD2 LYS 7 2HD LYS 7 -1.882 4.117 1.567
69 HD3 LYS 7 1HD LYS 7 -2.643 2.575 1.938
70 HE2 LYS 7 2HE LYS 7 -1.251 2.112 3.820
71 HE3 LYS 7 1HE LYS 7 0.139 2.966 3.170
72 HZ1 LYS 7 1HZ LYS 7 -0.917 4.332 4.973
73 HZ2 LYS 7 2HZ LYS 7 -1.098 5.129 3.536
74 HZ3 LYS 7 3HZ LYS 7 -2.365 4.334 4.196
75 H PHE 8 H PHE 8 0.736 -1.401 2.069
76 HA PHE 8 HA PHE 8 2.964 -0.354 3.787
77 HB2 PHE 8 2HB PHE 8 0.878 -2.551 3.975
78 HB3 PHE 8 1HB PHE 8 2.433 -3.162 4.379
79 HD1 PHE 8 HD1 PHE 8 -0.120 -0.653 5.342
80 HD2 PHE 8 HD2 PHE 8 3.701 -2.352 6.323
81 HE1 PHE 8 HE1 PHE 8 -0.223 0.387 7.585
82 HE2 PHE 8 HE2 PHE 8 3.596 -1.311 8.548
83 HZ PHE 8 HZ PHE 8 1.635 0.054 9.189
84 H LEU 9 H LEU 9 2.599 -2.986 1.446
85 HA LEU 9 HA LEU 9 5.499 -3.703 1.507
86 HB2 LEU 9 2HB LEU 9 3.042 -4.664 -0.024
87 HB3 LEU 9 1HB LEU 9 4.518 -4.667 -0.937
88 HG LEU 9 HG LEU 9 5.683 -5.949 0.960
89 HD11 LEU 9 1HD1 LEU 9 4.044 -5.480 2.826
90 HD12 LEU 9 2HD1 LEU 9 2.755 -6.322 1.934
91 HD13 LEU 9 3HD1 LEU 9 4.167 -7.224 2.539
92 HD21 LEU 9 1HD2 LEU 9 3.296 -7.406 -0.348
93 HD22 LEU 9 2HD2 LEU 9 4.769 -6.936 -1.230
94 HD23 LEU 9 3HD2 LEU 9 4.883 -8.078 0.115
95 H GLY 10 H GLY 10 3.540 -1.610 -0.654
96 HA2 GLY 10 1HA GLY 10 5.596 -1.006 -2.648
97 HA3 GLY 10 2HA GLY 10 4.278 0.059 -2.249
98 H ARG 11 H ARG 11 5.002 0.600 0.412
99 HA ARG 11 HA ARG 11 7.200 2.651 0.139
100 HB2 ARG 11 2HB ARG 11 5.363 1.674 2.416
101 HB3 ARG 11 1HB ARG 11 6.772 2.582 2.828
102 HG2 ARG 11 2HG ARG 11 5.178 3.861 0.576
103 HG3 ARG 11 1HG ARG 11 4.285 3.646 2.059
104 HD2 ARG 11 2HD ARG 11 6.448 4.762 3.274
105 HD3 ARG 11 1HD ARG 11 6.986 5.143 1.658
106 HE ARG 11 HE ARG 11 5.320 6.883 1.523
107 HH11 ARG 11 1HH1 ARG 11 3.200 5.851 4.766
108 HH12 ARG 11 2HH1 ARG 11 4.519 4.762 4.104
109 HH21 ARG 11 1HH2 ARG 11 2.815 7.685 3.674
110 HH22 ARG 11 2HH2 ARG 11 3.824 8.102 2.213
111 H ILE 12 H ILE 12 6.941 -0.335 2.112
112 HA ILE 12 HA ILE 12 9.760 -0.281 3.001
113 HB ILE 12 HB ILE 12 7.900 -2.713 2.844
114 HG12 ILE 12 2HG1 ILE 12 8.234 -0.803 5.259
115 HG13 ILE 12 1HG1 ILE 12 6.842 -0.859 4.216
116 HG21 ILE 12 1HG2 ILE 12 9.381 -3.641 4.714
117 HG22 ILE 12 2HG2 ILE 12 10.299 -3.350 3.241
118 HG23 ILE 12 3HG2 ILE 12 10.422 -2.199 4.585
119 HD11 ILE 12 1HD1 ILE 12 6.806 -3.516 4.892
120 HD12 ILE 12 2HD1 ILE 12 7.610 -2.857 6.336
121 HD13 ILE 12 3HD1 ILE 12 5.999 -2.262 5.859
122 H LEU 13 H LEU 13 8.238 -1.708 0.153
123 HA LEU 13 HA LEU 13 10.318 -3.279 -1.031
124 HB2 LEU 13 2HB LEU 13 7.987 -1.580 -2.009
125 HB3 LEU 13 1HB LEU 13 9.179 -1.827 -3.202
126 HG LEU 13 HG LEU 13 7.980 -4.226 -1.707
127 HD11 LEU 13 1HD1 LEU 13 6.913 -2.677 -4.143
128 HD12 LEU 13 2HD1 LEU 13 6.573 -4.413 -3.941
129 HD13 LEU 13 3HD1 LEU 13 6.048 -3.273 -2.708
130 HD21 LEU 13 1HD2 LEU 13 8.774 -4.939 -4.380
131 HD22 LEU 13 2HD2 LEU 13 10.072 -3.874 -3.834
132 HD23 LEU 13 3HD2 LEU 13 9.649 -5.303 -2.882
133 HN1 NH2 14 1HN NH2 14 11.859 0.428 -1.839
134 HN2 NH2 14 2HN NH2 14 10.066 0.294 -1.455
Start of MODEL 16
1 H1 PHE 1 1H PHE 1 -12.897 7.348 1.198
2 H2 PHE 1 2H PHE 1 -12.565 7.074 -0.417
3 H3 PHE 1 3H PHE 1 -13.368 5.950 0.451
4 HA PHE 1 HA PHE 1 -10.535 6.672 0.933
5 HB2 PHE 1 2HB PHE 1 -10.483 4.797 2.528
6 HB3 PHE 1 1HB PHE 1 -11.584 6.022 3.059
7 HD1 PHE 1 HD1 PHE 1 -14.119 5.603 2.865
8 HD2 PHE 1 HD2 PHE 1 -11.262 2.483 2.025
9 HE1 PHE 1 HE1 PHE 1 -15.909 3.929 2.937
10 HE2 PHE 1 HE2 PHE 1 -13.070 0.819 2.156
11 HZ PHE 1 HZ PHE 1 -15.392 1.538 2.601
12 H VAL 2 H VAL 2 -9.001 5.099 0.211
13 HA VAL 2 HA VAL 2 -10.036 3.342 -2.030
14 HB VAL 2 HB VAL 2 -8.536 5.230 -2.724
15 HG11 VAL 2 1HG1 VAL 2 -6.196 3.526 -1.687
16 HG12 VAL 2 2HG1 VAL 2 -6.139 5.161 -2.393
17 HG13 VAL 2 3HG1 VAL 2 -6.800 4.903 -0.760
18 HG21 VAL 2 1HG2 VAL 2 -7.305 3.862 -4.402
19 HG22 VAL 2 2HG2 VAL 2 -7.582 2.386 -3.448
20 HG23 VAL 2 3HG2 VAL 2 -8.951 3.249 -4.187
21 HA PH6 3 HA TCP 3 -8.432 -0.125 0.656
22 HB2 PH6 3 1HB TCP 3 -10.156 -1.361 -0.289
23 HB3 PH6 3 2HB TCP 3 -8.814 -2.159 -1.111
24 HG2 PH6 3 HG TCP 3 -9.056 -0.826 -3.117
25 HD2 PH6 3 1HD TCP 3 -10.982 1.124 -1.761
26 HD3 PH6 3 2HD TCP 3 -9.742 1.384 -3.021
27 H1 PH6 3 H19 TCP 3 -12.283 -3.011 -5.520
28 H61 PH6 3 H20 TCP 3 -13.429 -0.774 -5.478
29 H62 PH6 3 H21 TCP 3 -13.828 -0.973 -3.771
30 H21 PH6 3 H17 TCP 3 -13.148 -3.273 -2.556
31 H22 PH6 3 H18 TCP 3 -13.942 -3.198 -4.948
32 H51 PH6 3 H11 TCP 3 -11.822 0.470 -4.024
33 H52 PH6 3 H12 TCP 3 -10.973 -0.762 -4.952
34 H41 PH6 3 H13 TCP 3 -11.924 -1.082 -2.020
35 H42 PH6 3 H14 TCP 3 -10.715 -3.290 -2.051
36 H31 PH6 3 H15 TCP 3 -10.296 -3.061 -3.747
37 H32 PH6 3 H16 TCP 3 -12.332 -4.517 -3.504
38 H TRP 4 H TRP 4 -6.418 1.030 0.500
39 HA TRP 4 HA TRP 4 -4.374 0.316 -1.484
40 HB2 TRP 4 1HB TRP 4 -4.321 1.653 1.271
41 HB3 TRP 4 2HB TRP 4 -2.838 1.091 0.620
42 HD1 TRP 4 HD1 TRP 4 -3.183 1.955 -2.566
43 HE1 TRP 4 HE1 TRP 4 -3.136 4.487 -3.290
44 HE3 TRP 4 HE3 TRP 4 -4.262 3.901 2.030
45 HZ2 TRP 4 HZ2 TRP 4 -3.455 6.926 -1.876
46 HZ3 TRP 4 HZ3 TRP 4 -4.386 6.358 2.285
47 HH2 TRP 4 HH2 TRP 4 -4.007 7.851 0.359
48 H PHE 5 H PHE 5 -3.664 -1.577 -1.800
49 HA PHE 5 HA PHE 5 -3.134 -3.589 0.445
50 HB2 PHE 5 2HB PHE 5 -3.254 -4.066 -2.599
51 HB3 PHE 5 1HB PHE 5 -3.099 -5.288 -1.370
52 HD1 PHE 5 HD1 PHE 5 -5.453 -3.629 -3.423
53 HD2 PHE 5 HD2 PHE 5 -5.047 -5.233 0.548
54 HE1 PHE 5 HE1 PHE 5 -7.892 -3.846 -3.256
55 HE2 PHE 5 HE2 PHE 5 -7.495 -5.431 0.709
56 HZ PHE 5 HZ PHE 5 -8.921 -4.764 -1.199
57 H SER 6 H SER 6 -1.490 -2.445 -2.508
58 HA SER 6 HA SER 6 1.236 -3.307 -1.491
59 HB2 SER 6 2HB SER 6 1.993 -2.676 -3.723
60 HB3 SER 6 1HB SER 6 0.567 -3.689 -3.887
61 HG SER 6 HG SER 6 0.929 -1.257 -4.854
62 H LYS 7 H LYS 7 -0.225 -1.198 -0.051
63 HA LYS 7 HA LYS 7 1.450 1.305 -0.477
64 HB2 LYS 7 2HB LYS 7 -0.890 1.578 0.102
65 HB3 LYS 7 1HB LYS 7 -0.738 0.624 1.580
66 HG2 LYS 7 2HG LYS 7 -0.843 2.966 2.168
67 HG3 LYS 7 1HG LYS 7 0.761 2.390 2.587
68 HD2 LYS 7 2HD LYS 7 1.830 3.460 0.675
69 HD3 LYS 7 1HD LYS 7 0.338 3.604 -0.208
70 HE2 LYS 7 2HE LYS 7 0.178 5.761 0.434
71 HE3 LYS 7 1HE LYS 7 -0.402 5.174 1.976
72 HZ1 LYS 7 1HZ LYS 7 1.590 6.627 2.337
73 HZ2 LYS 7 2HZ LYS 7 1.993 5.091 2.776
74 HZ3 LYS 7 3HZ LYS 7 2.510 5.676 1.338
75 H PHE 8 H PHE 8 1.040 -1.049 2.138
76 HA PHE 8 HA PHE 8 3.419 -0.128 3.716
77 HB2 PHE 8 2HB PHE 8 1.292 -2.338 3.949
78 HB3 PHE 8 1HB PHE 8 2.834 -2.697 4.630
79 HD1 PHE 8 HD1 PHE 8 0.777 0.539 4.558
80 HD2 PHE 8 HD2 PHE 8 2.823 -2.412 6.929
81 HE1 PHE 8 HE1 PHE 8 0.309 1.838 6.594
82 HE2 PHE 8 HE2 PHE 8 2.319 -1.124 8.954
83 HZ PHE 8 HZ PHE 8 1.070 1.006 8.796
84 H LEU 9 H LEU 9 2.796 -2.820 1.519
85 HA LEU 9 HA LEU 9 5.633 -3.752 1.501
86 HB2 LEU 9 2HB LEU 9 3.054 -4.540 0.073
87 HB3 LEU 9 1HB LEU 9 4.493 -4.678 -0.890
88 HG LEU 9 HG LEU 9 5.611 -6.010 0.996
89 HD11 LEU 9 1HD1 LEU 9 2.713 -6.042 2.096
90 HD12 LEU 9 2HD1 LEU 9 3.998 -7.160 2.616
91 HD13 LEU 9 3HD1 LEU 9 4.162 -5.423 2.924
92 HD21 LEU 9 1HD2 LEU 9 3.351 -7.788 0.221
93 HD22 LEU 9 2HD2 LEU 9 3.912 -6.828 -1.155
94 HD23 LEU 9 3HD2 LEU 9 5.061 -7.815 -0.253
95 H GLY 10 H GLY 10 3.782 -1.546 -0.634
96 HA2 GLY 10 1HA GLY 10 5.835 -1.162 -2.696
97 HA3 GLY 10 2HA GLY 10 4.604 0.009 -2.309
98 H ARG 11 H ARG 11 5.445 0.508 0.360
99 HA ARG 11 HA ARG 11 7.766 2.402 -0.022
100 HB2 ARG 11 2HB ARG 11 6.026 1.618 2.411
101 HB3 ARG 11 1HB ARG 11 7.454 2.594 2.624
102 HG2 ARG 11 2HG ARG 11 5.150 3.355 0.749
103 HG3 ARG 11 1HG ARG 11 5.305 3.905 2.414
104 HD2 ARG 11 2HD ARG 11 6.750 5.640 1.798
105 HD3 ARG 11 1HD ARG 11 7.901 4.495 1.213
106 HE ARG 11 HE ARG 11 7.313 4.972 -1.043
107 HH11 ARG 11 1HH1 ARG 11 3.873 6.838 -0.412
108 HH12 ARG 11 2HH1 ARG 11 4.827 5.998 0.951
109 HH21 ARG 11 1HH2 ARG 11 4.681 6.663 -2.377
110 HH22 ARG 11 2HH2 ARG 11 6.302 5.874 -2.609
111 H ILE 12 H ILE 12 7.323 -0.482 2.056
112 HA ILE 12 HA ILE 12 10.158 -0.632 2.854
113 HB ILE 12 HB ILE 12 8.108 -2.902 2.825
114 HG12 ILE 12 2HG1 ILE 12 8.641 -0.980 5.180
115 HG13 ILE 12 1HG1 ILE 12 7.233 -0.930 4.153
116 HG21 ILE 12 1HG2 ILE 12 10.958 -2.803 3.722
117 HG22 ILE 12 2HG2 ILE 12 9.924 -3.273 5.059
118 HG23 ILE 12 3HG2 ILE 12 9.873 -4.186 3.539
119 HD11 ILE 12 1HD1 ILE 12 6.692 -3.387 4.815
120 HD12 ILE 12 2HD1 ILE 12 7.921 -3.201 6.089
121 HD13 ILE 12 3HD1 ILE 12 6.489 -2.149 6.081
122 H LEU 13 H LEU 13 8.462 -2.016 0.075
123 HA LEU 13 HA LEU 13 10.412 -3.759 -1.072
124 HB2 LEU 13 2HB LEU 13 8.238 -1.901 -2.133
125 HB3 LEU 13 1HB LEU 13 9.401 -2.338 -3.315
126 HG LEU 13 HG LEU 13 7.887 -4.458 -1.693
127 HD11 LEU 13 1HD1 LEU 13 7.008 -4.386 -4.483
128 HD12 LEU 13 2HD1 LEU 13 6.064 -4.036 -3.024
129 HD13 LEU 13 3HD1 LEU 13 6.902 -2.734 -3.888
130 HD21 LEU 13 1HD2 LEU 13 9.554 -4.639 -4.305
131 HD22 LEU 13 2HD2 LEU 13 10.089 -5.220 -2.718
132 HD23 LEU 13 3HD2 LEU 13 8.710 -5.995 -3.512
133 HN1 NH2 14 1HN NH2 14 12.257 -0.232 -1.939
134 HN2 NH2 14 2HN NH2 14 10.488 -0.198 -1.449
Start of MODEL 17
1 H1 PHE 1 1H PHE 1 -12.926 6.824 1.711
2 H2 PHE 1 2H PHE 1 -13.115 6.261 0.152
3 H3 PHE 1 3H PHE 1 -13.097 5.209 1.397
4 HA PHE 1 HA PHE 1 -10.745 6.817 0.563
5 HB2 PHE 1 2HB PHE 1 -9.461 5.524 2.210
6 HB3 PHE 1 1HB PHE 1 -10.717 6.408 3.005
7 HD1 PHE 1 HD1 PHE 1 -9.576 2.983 1.985
8 HD2 PHE 1 HD2 PHE 1 -12.564 5.183 4.171
9 HE1 PHE 1 HE1 PHE 1 -10.421 0.891 2.946
10 HE2 PHE 1 HE2 PHE 1 -13.389 3.077 5.131
11 HZ PHE 1 HZ PHE 1 -12.325 0.931 4.523
12 H VAL 2 H VAL 2 -8.943 5.446 -0.271
13 HA VAL 2 HA VAL 2 -10.019 3.388 -2.163
14 HB VAL 2 HB VAL 2 -8.508 5.226 -2.972
15 HG11 VAL 2 1HG1 VAL 2 -6.736 4.971 -1.037
16 HG12 VAL 2 2HG1 VAL 2 -6.182 3.527 -1.889
17 HG13 VAL 2 3HG1 VAL 2 -6.097 5.114 -2.694
18 HG21 VAL 2 1HG2 VAL 2 -7.284 3.740 -4.589
19 HG22 VAL 2 2HG2 VAL 2 -7.643 2.326 -3.581
20 HG23 VAL 2 3HG2 VAL 2 -8.964 3.224 -4.367
21 HA PH6 3 HA TCP 3 -8.381 0.007 0.612
22 HB2 PH6 3 1HB TCP 3 -10.031 -1.335 -0.173
23 HB3 PH6 3 2HB TCP 3 -8.780 -2.112 -1.120
24 HG2 PH6 3 HG TCP 3 -9.219 -0.911 -3.092
25 HD2 PH6 3 1HD TCP 3 -10.887 1.309 -1.881
26 HD3 PH6 3 2HD TCP 3 -9.641 1.325 -3.134
27 H1 PH6 3 H19 TCP 3 -13.718 -2.605 -1.917
28 H61 PH6 3 H20 TCP 3 -15.230 -1.321 -3.490
29 H62 PH6 3 H21 TCP 3 -14.360 0.175 -3.144
30 H21 PH6 3 H17 TCP 3 -12.506 0.142 -1.315
31 H22 PH6 3 H18 TCP 3 -14.494 -1.257 -1.074
32 H51 PH6 3 H11 TCP 3 -13.558 -0.820 -5.319
33 H52 PH6 3 H12 TCP 3 -13.151 -2.335 -4.509
34 H41 PH6 3 H13 TCP 3 -11.092 -0.956 -4.801
35 H42 PH6 3 H14 TCP 3 -11.859 0.413 -4.010
36 H31 PH6 3 H15 TCP 3 -11.198 -2.315 -2.704
37 H32 PH6 3 H16 TCP 3 -12.088 -1.367 -0.534
38 H TRP 4 H TRP 4 -6.374 1.128 0.369
39 HA TRP 4 HA TRP 4 -4.368 0.294 -1.594
40 HB2 TRP 4 1HB TRP 4 -4.258 1.757 1.094
41 HB3 TRP 4 2HB TRP 4 -2.796 1.149 0.436
42 HD1 TRP 4 HD1 TRP 4 -3.206 1.865 -2.780
43 HE1 TRP 4 HE1 TRP 4 -3.138 4.360 -3.622
44 HE3 TRP 4 HE3 TRP 4 -4.150 4.034 1.745
45 HZ2 TRP 4 HZ2 TRP 4 -3.402 6.864 -2.315
46 HZ3 TRP 4 HZ3 TRP 4 -4.239 6.501 1.889
47 HH2 TRP 4 HH2 TRP 4 -3.889 7.899 -0.112
48 H PHE 5 H PHE 5 -3.688 -1.607 -1.827
49 HA PHE 5 HA PHE 5 -3.146 -3.526 0.495
50 HB2 PHE 5 2HB PHE 5 -3.277 -4.119 -2.528
51 HB3 PHE 5 1HB PHE 5 -3.141 -5.298 -1.251
52 HD1 PHE 5 HD1 PHE 5 -5.139 -4.743 0.754
53 HD2 PHE 5 HD2 PHE 5 -5.434 -4.129 -3.496
54 HE1 PHE 5 HE1 PHE 5 -7.583 -4.906 0.893
55 HE2 PHE 5 HE2 PHE 5 -7.878 -4.316 -3.344
56 HZ PHE 5 HZ PHE 5 -8.960 -4.720 -1.155
57 H SER 6 H SER 6 -1.522 -2.469 -2.484
58 HA SER 6 HA SER 6 1.194 -3.365 -1.437
59 HB2 SER 6 2HB SER 6 0.679 -1.942 -4.110
60 HB3 SER 6 1HB SER 6 2.015 -2.985 -3.648
61 HG SER 6 HG SER 6 -0.040 -4.539 -3.359
62 H LYS 7 H LYS 7 -0.240 -1.172 -0.098
63 HA LYS 7 HA LYS 7 1.465 1.286 -0.631
64 HB2 LYS 7 2HB LYS 7 -0.861 1.669 -0.103
65 HB3 LYS 7 1HB LYS 7 -0.774 0.749 1.407
66 HG2 LYS 7 2HG LYS 7 -0.820 3.139 1.923
67 HG3 LYS 7 1HG LYS 7 0.729 2.471 2.421
68 HD2 LYS 7 2HD LYS 7 1.825 3.302 0.301
69 HD3 LYS 7 1HD LYS 7 0.265 3.895 -0.293
70 HE2 LYS 7 2HE LYS 7 0.148 5.459 1.766
71 HE3 LYS 7 1HE LYS 7 1.740 4.864 2.278
72 HZ1 LYS 7 1HZ LYS 7 1.941 6.919 0.792
73 HZ2 LYS 7 2HZ LYS 7 2.645 5.613 0.039
74 HZ3 LYS 7 3HZ LYS 7 1.173 6.130 -0.425
75 H PHE 8 H PHE 8 0.980 -0.931 2.093
76 HA PHE 8 HA PHE 8 3.331 0.053 3.645
77 HB2 PHE 8 2HB PHE 8 1.029 -1.767 4.138
78 HB3 PHE 8 1HB PHE 8 2.455 -2.705 4.365
79 HD1 PHE 8 HD1 PHE 8 3.698 -2.480 6.416
80 HD2 PHE 8 HD2 PHE 8 0.949 0.626 5.285
81 HE1 PHE 8 HE1 PHE 8 3.992 -1.415 8.613
82 HE2 PHE 8 HE2 PHE 8 1.262 1.696 7.486
83 HZ PHE 8 HZ PHE 8 2.775 0.671 9.156
84 H LEU 9 H LEU 9 2.741 -2.717 1.556
85 HA LEU 9 HA LEU 9 5.564 -3.680 1.624
86 HB2 LEU 9 2HB LEU 9 2.991 -4.524 0.220
87 HB3 LEU 9 1HB LEU 9 4.421 -4.685 -0.752
88 HG LEU 9 HG LEU 9 5.571 -5.921 1.177
89 HD11 LEU 9 1HD1 LEU 9 4.280 -6.829 3.008
90 HD12 LEU 9 2HD1 LEU 9 3.752 -5.145 2.951
91 HD13 LEU 9 3HD1 LEU 9 2.716 -6.409 2.267
92 HD21 LEU 9 1HD2 LEU 9 4.885 -7.959 0.277
93 HD22 LEU 9 2HD2 LEU 9 3.154 -7.548 0.250
94 HD23 LEU 9 3HD2 LEU 9 4.251 -6.896 -0.979
95 H GLY 10 H GLY 10 3.777 -1.556 -0.640
96 HA2 GLY 10 1HA GLY 10 5.864 -1.280 -2.691
97 HA3 GLY 10 2HA GLY 10 4.636 -0.085 -2.366
98 H ARG 11 H ARG 11 5.429 0.530 0.284
99 HA ARG 11 HA ARG 11 7.784 2.359 -0.147
100 HB2 ARG 11 2HB ARG 11 5.939 1.738 2.258
101 HB3 ARG 11 1HB ARG 11 7.400 2.639 2.511
102 HG2 ARG 11 2HG ARG 11 5.203 3.530 0.543
103 HG3 ARG 11 1HG ARG 11 5.383 4.082 2.219
104 HD2 ARG 11 2HD ARG 11 7.907 4.697 1.502
105 HD3 ARG 11 1HD ARG 11 7.324 4.509 -0.159
106 HE ARG 11 HE ARG 11 5.602 6.347 1.469
107 HH11 ARG 11 1HH1 ARG 11 8.700 8.061 -0.373
108 HH12 ARG 11 2HH1 ARG 11 8.660 6.250 -0.160
109 HH21 ARG 11 1HH2 ARG 11 7.053 9.192 0.345
110 HH22 ARG 11 2HH2 ARG 11 5.646 8.397 1.182
111 H ILE 12 H ILE 12 7.293 -0.420 2.047
112 HA ILE 12 HA ILE 12 10.117 -0.560 2.896
113 HB ILE 12 HB ILE 12 8.052 -2.826 2.899
114 HG12 ILE 12 2HG1 ILE 12 8.574 -0.806 5.186
115 HG13 ILE 12 1HG1 ILE 12 7.174 -0.800 4.157
116 HG21 ILE 12 1HG2 ILE 12 9.462 -3.766 4.812
117 HG22 ILE 12 2HG2 ILE 12 10.398 -3.637 3.328
118 HG23 ILE 12 3HG2 ILE 12 10.617 -2.425 4.606
119 HD11 ILE 12 1HD1 ILE 12 7.034 -3.450 5.061
120 HD12 ILE 12 2HD1 ILE 12 7.705 -2.595 6.469
121 HD13 ILE 12 3HD1 ILE 12 6.152 -2.077 5.760
122 H LEU 13 H LEU 13 8.446 -2.030 0.147
123 HA LEU 13 HA LEU 13 10.380 -3.836 -0.921
124 HB2 LEU 13 2HB LEU 13 8.216 -2.010 -2.053
125 HB3 LEU 13 1HB LEU 13 9.384 -2.482 -3.216
126 HG LEU 13 HG LEU 13 7.947 -4.591 -1.513
127 HD11 LEU 13 1HD1 LEU 13 6.619 -4.854 -3.846
128 HD12 LEU 13 2HD1 LEU 13 6.105 -3.629 -2.680
129 HD13 LEU 13 3HD1 LEU 13 7.072 -3.156 -4.094
130 HD21 LEU 13 1HD2 LEU 13 8.847 -6.179 -3.075
131 HD22 LEU 13 2HD2 LEU 13 9.194 -4.947 -4.317
132 HD23 LEU 13 3HD2 LEU 13 10.211 -5.068 -2.874
133 HN1 NH2 14 1HN NH2 14 12.247 -0.358 -1.973
134 HN2 NH2 14 2HN NH2 14 10.455 -0.303 -1.562
Start of MODEL 18
1 H1 PHE 1 1H PHE 1 -12.152 7.761 0.992
2 H2 PHE 1 2H PHE 1 -12.734 6.549 0.007
3 H3 PHE 1 3H PHE 1 -12.521 6.261 1.596
4 HA PHE 1 HA PHE 1 -10.301 6.775 -0.308
5 HB2 PHE 1 2HB PHE 1 -8.767 6.318 1.513
6 HB3 PHE 1 1HB PHE 1 -9.795 7.623 1.998
7 HD1 PHE 1 HD1 PHE 1 -8.898 4.045 2.615
8 HD2 PHE 1 HD2 PHE 1 -11.473 7.272 3.866
9 HE1 PHE 1 HE1 PHE 1 -9.552 2.771 4.612
10 HE2 PHE 1 HE2 PHE 1 -12.115 5.971 5.847
11 HZ PHE 1 HZ PHE 1 -11.157 3.727 6.228
12 H VAL 2 H VAL 2 -8.956 4.875 -0.739
13 HA VAL 2 HA VAL 2 -10.484 2.270 -0.444
14 HB VAL 2 HB VAL 2 -10.330 3.145 -2.796
15 HG11 VAL 2 1HG1 VAL 2 -7.832 3.887 -2.683
16 HG12 VAL 2 2HG1 VAL 2 -7.411 2.169 -2.727
17 HG13 VAL 2 3HG1 VAL 2 -8.274 2.903 -4.099
18 HG21 VAL 2 1HG2 VAL 2 -10.875 0.768 -2.311
19 HG22 VAL 2 2HG2 VAL 2 -9.900 0.893 -3.782
20 HG23 VAL 2 3HG2 VAL 2 -9.146 0.345 -2.268
21 HA PH6 3 HA TCP 3 -6.697 0.955 1.920
22 HB2 PH6 3 1HB TCP 3 -8.129 -0.410 3.118
23 HB3 PH6 3 2HB TCP 3 -7.332 -1.700 2.202
24 HG2 PH6 3 HG TCP 3 -9.083 -1.795 0.541
25 HD2 PH6 3 1HD TCP 3 -10.376 0.806 1.486
26 HD3 PH6 3 2HD TCP 3 -10.224 0.096 -0.144
27 H1 PH6 3 H19 TCP 3 -11.115 -2.850 4.763
28 H61 PH6 3 H20 TCP 3 -8.965 -2.880 3.508
29 H62 PH6 3 H21 TCP 3 -9.690 -3.770 2.172
30 H21 PH6 3 H17 TCP 3 -12.217 -4.544 2.413
31 H22 PH6 3 H18 TCP 3 -10.644 -4.507 4.377
32 H51 PH6 3 H11 TCP 3 -10.555 -0.961 3.115
33 H52 PH6 3 H12 TCP 3 -12.099 -0.963 1.102
34 H41 PH6 3 H13 TCP 3 -11.596 -2.600 0.701
35 H42 PH6 3 H14 TCP 3 -13.762 -2.612 1.969
36 H31 PH6 3 H15 TCP 3 -13.038 -1.687 3.285
37 H32 PH6 3 H16 TCP 3 -13.101 -4.134 3.884
38 H TRP 4 H TRP 4 -5.364 1.432 0.177
39 HA TRP 4 HA TRP 4 -4.744 -0.614 -1.921
40 HB2 TRP 4 1HB TRP 4 -3.412 2.031 -1.138
41 HB3 TRP 4 2HB TRP 4 -2.703 0.911 -2.294
42 HD1 TRP 4 HD1 TRP 4 -4.978 -0.030 -4.172
43 HE1 TRP 4 HE1 TRP 4 -6.075 1.587 -5.949
44 HE3 TRP 4 HE3 TRP 4 -3.906 4.339 -1.748
45 HZ2 TRP 4 HZ2 TRP 4 -6.245 4.409 -6.161
46 HZ3 TRP 4 HZ3 TRP 4 -4.436 6.484 -2.859
47 HH2 TRP 4 HH2 TRP 4 -5.630 6.521 -5.014
48 H PHE 5 H PHE 5 -4.230 -2.459 -0.985
49 HA PHE 5 HA PHE 5 -2.283 -2.969 1.080
50 HB2 PHE 5 2HB PHE 5 -2.801 -4.968 -1.199
51 HB3 PHE 5 1HB PHE 5 -2.330 -5.312 0.436
52 HD1 PHE 5 HD1 PHE 5 -4.107 -4.535 2.336
53 HD2 PHE 5 HD2 PHE 5 -5.081 -5.122 -1.812
54 HE1 PHE 5 HE1 PHE 5 -6.489 -4.793 2.921
55 HE2 PHE 5 HE2 PHE 5 -7.450 -5.381 -1.217
56 HZ PHE 5 HZ PHE 5 -8.160 -5.233 1.146
57 H SER 6 H SER 6 -1.800 -3.179 -2.424
58 HA SER 6 HA SER 6 1.043 -3.647 -2.592
59 HB2 SER 6 2HB SER 6 0.183 -1.791 -4.740
60 HB3 SER 6 1HB SER 6 0.736 -3.441 -4.834
61 HG SER 6 HG SER 6 -1.284 -4.049 -5.071
62 H LYS 7 H LYS 7 -0.619 -0.567 -2.199
63 HA LYS 7 HA LYS 7 1.708 1.262 -2.240
64 HB2 LYS 7 2HB LYS 7 -1.054 1.328 -0.872
65 HB3 LYS 7 1HB LYS 7 0.124 2.450 -0.387
66 HG2 LYS 7 2HG LYS 7 0.353 2.915 -3.119
67 HG3 LYS 7 1HG LYS 7 -1.265 2.294 -3.089
68 HD2 LYS 7 2HD LYS 7 -1.497 4.649 -2.800
69 HD3 LYS 7 1HD LYS 7 -1.857 3.980 -1.226
70 HE2 LYS 7 2HE LYS 7 1.078 4.751 -1.750
71 HE3 LYS 7 1HE LYS 7 -0.060 6.089 -1.737
72 HZ1 LYS 7 1HZ LYS 7 0.788 5.583 0.598
73 HZ2 LYS 7 2HZ LYS 7 -0.838 5.353 0.539
74 HZ3 LYS 7 3HZ LYS 7 0.165 4.070 0.525
75 H PHE 8 H PHE 8 0.503 -0.787 0.352
76 HA PHE 8 HA PHE 8 2.360 0.259 2.429
77 HB2 PHE 8 2HB PHE 8 0.101 -1.615 2.407
78 HB3 PHE 8 1HB PHE 8 1.454 -2.572 2.865
79 HD1 PHE 8 HD1 PHE 8 3.217 -0.936 4.540
80 HD2 PHE 8 HD2 PHE 8 -1.079 -0.977 4.317
81 HE1 PHE 8 HE1 PHE 8 3.091 -0.015 6.808
82 HE2 PHE 8 HE2 PHE 8 -1.198 -0.093 6.608
83 HZ PHE 8 HZ PHE 8 0.886 0.405 7.858
84 H LEU 9 H LEU 9 2.302 -2.768 0.541
85 HA LEU 9 HA LEU 9 5.017 -3.624 1.160
86 HB2 LEU 9 2HB LEU 9 2.865 -4.477 -0.740
87 HB3 LEU 9 1HB LEU 9 4.378 -4.413 -1.571
88 HG LEU 9 HG LEU 9 5.408 -5.768 0.444
89 HD11 LEU 9 1HD1 LEU 9 2.426 -6.537 0.833
90 HD12 LEU 9 2HD1 LEU 9 3.824 -7.115 1.771
91 HD13 LEU 9 3HD1 LEU 9 3.283 -5.433 1.926
92 HD21 LEU 9 1HD2 LEU 9 3.394 -7.372 -1.235
93 HD22 LEU 9 2HD2 LEU 9 4.792 -6.582 -1.996
94 HD23 LEU 9 3HD2 LEU 9 5.052 -7.787 -0.733
95 H GLY 10 H GLY 10 3.948 -1.521 -1.497
96 HA2 GLY 10 1HA GLY 10 6.488 -1.045 -2.850
97 HA3 GLY 10 2HA GLY 10 5.188 0.126 -2.754
98 H ARG 11 H ARG 11 5.244 0.588 0.023
99 HA ARG 11 HA ARG 11 7.645 2.375 0.333
100 HB2 ARG 11 2HB ARG 11 5.147 1.785 2.052
101 HB3 ARG 11 1HB ARG 11 6.509 2.519 2.832
102 HG2 ARG 11 2HG ARG 11 5.229 3.742 0.313
103 HG3 ARG 11 1HG ARG 11 4.757 4.162 1.971
104 HD2 ARG 11 2HD ARG 11 7.115 4.876 2.525
105 HD3 ARG 11 1HD ARG 11 7.667 4.391 0.920
106 HE ARG 11 HE ARG 11 5.457 6.372 0.715
107 HH11 ARG 11 1HH1 ARG 11 9.207 7.753 0.598
108 HH12 ARG 11 2HH1 ARG 11 8.878 6.060 1.195
109 HH21 ARG 11 1HH2 ARG 11 7.550 8.939 -0.010
110 HH22 ARG 11 2HH2 ARG 11 5.848 8.292 0.053
111 H ILE 12 H ILE 12 6.549 -0.547 2.010
112 HA ILE 12 HA ILE 12 8.982 -0.792 3.697
113 HB ILE 12 HB ILE 12 7.038 -3.016 2.871
114 HG12 ILE 12 2HG1 ILE 12 5.689 -1.248 3.908
115 HG13 ILE 12 1HG1 ILE 12 5.714 -2.672 4.889
116 HG21 ILE 12 1HG2 ILE 12 9.048 -2.830 5.204
117 HG22 ILE 12 2HG2 ILE 12 7.760 -4.059 5.142
118 HG23 ILE 12 3HG2 ILE 12 9.020 -4.023 3.894
119 HD11 ILE 12 1HD1 ILE 12 7.818 -0.593 5.653
120 HD12 ILE 12 2HD1 ILE 12 6.131 -0.079 5.847
121 HD13 ILE 12 3HD1 ILE 12 6.730 -1.535 6.687
122 H LEU 13 H LEU 13 8.263 -1.945 0.451
123 HA LEU 13 HA LEU 13 10.725 -3.574 0.096
124 HB2 LEU 13 2HB LEU 13 8.600 -2.355 -1.780
125 HB3 LEU 13 1HB LEU 13 9.976 -3.185 -2.422
126 HG LEU 13 HG LEU 13 7.966 -4.540 -0.508
127 HD11 LEU 13 1HD1 LEU 13 8.168 -4.467 -3.584
128 HD12 LEU 13 2HD1 LEU 13 7.322 -5.771 -2.717
129 HD13 LEU 13 3HD1 LEU 13 6.770 -4.098 -2.547
130 HD21 LEU 13 1HD2 LEU 13 9.949 -5.799 -0.254
131 HD22 LEU 13 2HD2 LEU 13 9.201 -6.651 -1.613
132 HD23 LEU 13 3HD2 LEU 13 10.523 -5.499 -1.909
133 HN1 NH2 14 1HN NH2 14 12.789 -0.553 -0.049
134 HN2 NH2 14 2HN NH2 14 11.978 -1.682 1.152
Start of MODEL 19
1 H1 PHE 1 1H PHE 1 -12.919 6.725 1.812
2 H2 PHE 1 2H PHE 1 -13.136 6.139 0.265
3 H3 PHE 1 3H PHE 1 -13.031 5.099 1.514
4 HA PHE 1 HA PHE 1 -10.780 6.793 0.585
5 HB2 PHE 1 2HB PHE 1 -9.387 5.644 2.206
6 HB3 PHE 1 1HB PHE 1 -10.690 6.401 3.055
7 HD1 PHE 1 HD1 PHE 1 -8.994 3.226 2.362
8 HD2 PHE 1 HD2 PHE 1 -12.669 4.886 3.884
9 HE1 PHE 1 HE1 PHE 1 -9.590 1.050 3.337
10 HE2 PHE 1 HE2 PHE 1 -13.255 2.697 4.820
11 HZ PHE 1 HZ PHE 1 -11.719 0.781 4.564
12 H VAL 2 H VAL 2 -8.967 5.495 -0.321
13 HA VAL 2 HA VAL 2 -10.031 3.418 -2.178
14 HB VAL 2 HB VAL 2 -8.497 5.251 -2.963
15 HG11 VAL 2 1HG1 VAL 2 -6.185 3.540 -1.869
16 HG12 VAL 2 2HG1 VAL 2 -6.086 5.128 -2.668
17 HG13 VAL 2 3HG1 VAL 2 -6.741 4.983 -1.017
18 HG21 VAL 2 1HG2 VAL 2 -8.953 3.247 -4.366
19 HG22 VAL 2 2HG2 VAL 2 -7.279 3.780 -4.586
20 HG23 VAL 2 3HG2 VAL 2 -7.627 2.354 -3.584
21 HA PH6 3 HA TCP 3 -8.437 0.007 0.600
22 HB2 PH6 3 1HB TCP 3 -10.188 -1.236 -0.276
23 HB3 PH6 3 2HB TCP 3 -8.875 -2.087 -1.096
24 HG2 PH6 3 HG TCP 3 -9.124 -0.812 -3.136
25 HD2 PH6 3 1HD TCP 3 -10.991 1.216 -1.809
26 HD3 PH6 3 2HD TCP 3 -9.778 1.414 -3.106
27 H1 PH6 3 H19 TCP 3 -12.422 -3.019 -5.411
28 H61 PH6 3 H20 TCP 3 -13.527 -0.761 -5.433
29 H62 PH6 3 H21 TCP 3 -13.906 -0.893 -3.715
30 H21 PH6 3 H17 TCP 3 -13.250 -3.161 -2.428
31 H22 PH6 3 H18 TCP 3 -14.076 -3.155 -4.811
32 H51 PH6 3 H11 TCP 3 -11.877 0.502 -4.046
33 H52 PH6 3 H12 TCP 3 -11.064 -0.777 -4.941
34 H41 PH6 3 H13 TCP 3 -11.978 -0.977 -1.988
35 H42 PH6 3 H14 TCP 3 -10.813 -3.206 -1.956
36 H31 PH6 3 H15 TCP 3 -10.410 -3.047 -3.663
37 H32 PH6 3 H16 TCP 3 -12.471 -4.453 -3.343
38 H TRP 4 H TRP 4 -6.412 1.134 0.357
39 HA TRP 4 HA TRP 4 -4.400 0.299 -1.600
40 HB2 TRP 4 1HB TRP 4 -4.294 1.734 1.105
41 HB3 TRP 4 2HB TRP 4 -2.829 1.124 0.455
42 HD1 TRP 4 HD1 TRP 4 -3.195 1.881 -2.754
43 HE1 TRP 4 HE1 TRP 4 -3.096 4.387 -3.565
44 HE3 TRP 4 HE3 TRP 4 -4.179 4.003 1.785
45 HZ2 TRP 4 HZ2 TRP 4 -3.364 6.876 -2.233
46 HZ3 TRP 4 HZ3 TRP 4 -4.254 6.470 1.957
47 HH2 TRP 4 HH2 TRP 4 -3.871 7.889 -0.025
48 H PHE 5 H PHE 5 -3.636 -1.571 -1.837
49 HA PHE 5 HA PHE 5 -3.145 -3.521 0.477
50 HB2 PHE 5 2HB PHE 5 -3.254 -4.091 -2.549
51 HB3 PHE 5 1HB PHE 5 -3.135 -5.279 -1.281
52 HD1 PHE 5 HD1 PHE 5 -5.381 -4.279 -3.568
53 HD2 PHE 5 HD2 PHE 5 -5.185 -4.552 0.724
54 HE1 PHE 5 HE1 PHE 5 -7.830 -4.453 -3.455
55 HE2 PHE 5 HE2 PHE 5 -7.628 -4.700 0.821
56 HZ PHE 5 HZ PHE 5 -8.959 -4.682 -1.266
57 H SER 6 H SER 6 -1.509 -2.546 -2.528
58 HA SER 6 HA SER 6 1.184 -3.385 -1.444
59 HB2 SER 6 2HB SER 6 0.853 -1.919 -4.100
60 HB3 SER 6 1HB SER 6 1.998 -3.171 -3.625
61 HG SER 6 HG SER 6 0.192 -3.771 -5.101
62 H LYS 7 H LYS 7 -0.227 -1.161 -0.127
63 HA LYS 7 HA LYS 7 1.488 1.281 -0.680
64 HB2 LYS 7 2HB LYS 7 -0.899 1.614 -0.182
65 HB3 LYS 7 1HB LYS 7 -0.759 0.784 1.374
66 HG2 LYS 7 2HG LYS 7 -0.818 3.142 1.883
67 HG3 LYS 7 1HG LYS 7 0.810 2.594 2.187
68 HD2 LYS 7 2HD LYS 7 0.987 3.361 -0.560
69 HD3 LYS 7 1HD LYS 7 -0.243 4.446 -0.025
70 HE2 LYS 7 2HE LYS 7 2.513 4.051 1.413
71 HE3 LYS 7 1HE LYS 7 2.315 5.160 0.055
72 HZ1 LYS 7 1HZ LYS 7 1.856 6.365 2.254
73 HZ2 LYS 7 2HZ LYS 7 0.487 6.324 1.331
74 HZ3 LYS 7 3HZ LYS 7 0.645 5.301 2.585
75 H PHE 8 H PHE 8 0.981 -0.883 2.080
76 HA PHE 8 HA PHE 8 3.341 0.111 3.641
77 HB2 PHE 8 2HB PHE 8 1.421 -2.305 3.925
78 HB3 PHE 8 1HB PHE 8 2.862 -2.210 4.886
79 HD1 PHE 8 HD1 PHE 8 3.348 -0.001 6.208
80 HD2 PHE 8 HD2 PHE 8 -0.551 -1.127 4.786
81 HE1 PHE 8 HE1 PHE 8 2.311 1.480 7.875
82 HE2 PHE 8 HE2 PHE 8 -1.582 0.346 6.471
83 HZ PHE 8 HZ PHE 8 -0.155 1.653 8.018
84 H LEU 9 H LEU 9 2.730 -2.691 1.564
85 HA LEU 9 HA LEU 9 5.555 -3.649 1.676
86 HB2 LEU 9 2HB LEU 9 3.009 -4.507 0.237
87 HB3 LEU 9 1HB LEU 9 4.468 -4.717 -0.685
88 HG LEU 9 HG LEU 9 5.530 -5.924 1.323
89 HD11 LEU 9 1HD1 LEU 9 2.624 -6.252 2.320
90 HD12 LEU 9 2HD1 LEU 9 4.133 -6.806 3.090
91 HD13 LEU 9 3HD1 LEU 9 3.753 -5.082 3.042
92 HD21 LEU 9 1HD2 LEU 9 5.079 -7.612 -0.125
93 HD22 LEU 9 2HD2 LEU 9 3.550 -7.918 0.716
94 HD23 LEU 9 3HD2 LEU 9 3.583 -6.875 -0.711
95 H GLY 10 H GLY 10 3.787 -1.571 -0.648
96 HA2 GLY 10 1HA GLY 10 5.887 -1.320 -2.682
97 HA3 GLY 10 2HA GLY 10 4.668 -0.112 -2.373
98 H ARG 11 H ARG 11 5.456 0.526 0.266
99 HA ARG 11 HA ARG 11 7.816 2.357 -0.183
100 HB2 ARG 11 2HB ARG 11 6.003 1.736 2.246
101 HB3 ARG 11 1HB ARG 11 7.419 2.731 2.434
102 HG2 ARG 11 2HG ARG 11 5.247 3.398 0.343
103 HG3 ARG 11 1HG ARG 11 5.179 3.921 2.021
104 HD2 ARG 11 2HD ARG 11 7.615 4.971 1.648
105 HD3 ARG 11 1HD ARG 11 7.432 4.571 -0.038
106 HE ARG 11 HE ARG 11 6.050 6.480 -0.320
107 HH11 ARG 11 1HH1 ARG 11 5.108 7.124 3.531
108 HH12 ARG 11 2HH1 ARG 11 6.064 5.653 3.015
109 HH21 ARG 11 1HH2 ARG 11 4.528 8.494 1.952
110 HH22 ARG 11 2HH2 ARG 11 4.978 8.144 0.220
111 H ILE 12 H ILE 12 7.287 -0.391 2.048
112 HA ILE 12 HA ILE 12 10.100 -0.519 2.953
113 HB ILE 12 HB ILE 12 8.019 -2.775 2.967
114 HG12 ILE 12 2HG1 ILE 12 8.552 -0.735 5.236
115 HG13 ILE 12 1HG1 ILE 12 7.152 -0.716 4.197
116 HG21 ILE 12 1HG2 ILE 12 9.416 -3.716 4.879
117 HG22 ILE 12 2HG2 ILE 12 10.373 -3.578 3.415
118 HG23 ILE 12 3HG2 ILE 12 10.569 -2.368 4.696
119 HD11 ILE 12 1HD1 ILE 12 6.412 -1.800 6.222
120 HD12 ILE 12 2HD1 ILE 12 6.519 -3.085 4.992
121 HD13 ILE 12 3HD1 ILE 12 7.790 -2.918 6.229
122 H LEU 13 H LEU 13 8.457 -1.990 0.190
123 HA LEU 13 HA LEU 13 10.391 -3.851 -0.776
124 HB2 LEU 13 2HB LEU 13 8.236 -2.075 -2.009
125 HB3 LEU 13 1HB LEU 13 9.424 -2.592 -3.129
126 HG LEU 13 HG LEU 13 7.767 -4.563 -1.452
127 HD11 LEU 13 1HD1 LEU 13 7.476 -3.410 -4.308
128 HD12 LEU 13 2HD1 LEU 13 6.773 -4.980 -3.870
129 HD13 LEU 13 3HD1 LEU 13 6.255 -3.521 -3.018
130 HD21 LEU 13 1HD2 LEU 13 9.893 -5.626 -2.048
131 HD22 LEU 13 2HD2 LEU 13 8.728 -6.204 -3.245
132 HD23 LEU 13 3HD2 LEU 13 9.891 -4.926 -3.681
133 HN1 NH2 14 1HN NH2 14 12.234 -0.482 -2.251
134 HN2 NH2 14 2HN NH2 14 10.392 -0.467 -2.080
Start of MODEL 20
1 H1 PHE 1 1H PHE 1 -13.077 7.097 1.254
2 H2 PHE 1 2H PHE 1 -12.772 6.816 -0.363
3 H3 PHE 1 3H PHE 1 -13.459 5.649 0.551
4 HA PHE 1 HA PHE 1 -10.681 6.616 0.942
5 HB2 PHE 1 2HB PHE 1 -10.434 4.751 2.543
6 HB3 PHE 1 1HB PHE 1 -11.601 5.907 3.089
7 HD1 PHE 1 HD1 PHE 1 -11.198 2.443 1.649
8 HD2 PHE 1 HD2 PHE 1 -13.959 5.238 3.428
9 HE1 PHE 1 HE1 PHE 1 -12.895 0.676 1.827
10 HE2 PHE 1 HE2 PHE 1 -15.635 3.450 3.601
11 HZ PHE 1 HZ PHE 1 -15.111 1.173 2.802
12 H VAL 2 H VAL 2 -9.037 5.319 0.028
13 HA VAL 2 HA VAL 2 -9.975 3.474 -2.163
14 HB VAL 2 HB VAL 2 -8.443 5.368 -2.732
15 HG11 VAL 2 1HG1 VAL 2 -6.071 5.293 -2.272
16 HG12 VAL 2 2HG1 VAL 2 -6.806 4.954 -0.685
17 HG13 VAL 2 3HG1 VAL 2 -6.155 3.626 -1.647
18 HG21 VAL 2 1HG2 VAL 2 -7.147 4.058 -4.395
19 HG22 VAL 2 2HG2 VAL 2 -7.428 2.554 -3.491
20 HG23 VAL 2 3HG2 VAL 2 -8.787 3.408 -4.260
21 HA PH6 3 HA TCP 3 -8.507 -0.075 0.483
22 HB2 PH6 3 1HB TCP 3 -10.097 -1.350 -0.511
23 HB3 PH6 3 2HB TCP 3 -8.775 -2.058 -1.402
24 HG2 PH6 3 HG TCP 3 -9.063 -0.745 -3.328
25 HD2 PH6 3 1HD TCP 3 -10.842 1.382 -2.116
26 HD3 PH6 3 2HD TCP 3 -9.491 1.484 -3.252
27 H1 PH6 3 H19 TCP 3 -13.620 -2.546 -2.625
28 H61 PH6 3 H20 TCP 3 -15.025 -1.164 -4.214
29 H62 PH6 3 H21 TCP 3 -14.201 0.309 -3.701
30 H21 PH6 3 H17 TCP 3 -12.488 0.160 -1.742
31 H22 PH6 3 H18 TCP 3 -14.473 -1.267 -1.752
32 H51 PH6 3 H11 TCP 3 -13.226 -0.526 -5.873
33 H52 PH6 3 H12 TCP 3 -12.864 -2.091 -5.142
34 H41 PH6 3 H13 TCP 3 -10.804 -0.683 -5.180
35 H42 PH6 3 H14 TCP 3 -11.644 0.623 -4.358
36 H31 PH6 3 H15 TCP 3 -11.049 -2.182 -3.195
37 H32 PH6 3 H16 TCP 3 -12.114 -1.399 -1.040
38 H TRP 4 H TRP 4 -6.496 1.061 0.478
39 HA TRP 4 HA TRP 4 -4.344 0.376 -1.394
40 HB2 TRP 4 1HB TRP 4 -4.440 1.651 1.387
41 HB3 TRP 4 2HB TRP 4 -2.915 1.112 0.802
42 HD1 TRP 4 HD1 TRP 4 -3.120 2.037 -2.386
43 HE1 TRP 4 HE1 TRP 4 -3.004 4.591 -3.042
44 HE3 TRP 4 HE3 TRP 4 -4.428 3.878 2.195
45 HZ2 TRP 4 HZ2 TRP 4 -3.408 6.990 -1.591
46 HZ3 TRP 4 HZ3 TRP 4 -4.553 6.330 2.502
47 HH2 TRP 4 HH2 TRP 4 -4.065 7.866 0.634
48 H PHE 5 H PHE 5 -3.594 -1.488 -1.704
49 HA PHE 5 HA PHE 5 -3.176 -3.553 0.529
50 HB2 PHE 5 2HB PHE 5 -3.271 -4.005 -2.522
51 HB3 PHE 5 1HB PHE 5 -3.155 -5.237 -1.298
52 HD1 PHE 5 HD1 PHE 5 -5.132 -5.177 0.582
53 HD2 PHE 5 HD2 PHE 5 -5.444 -3.496 -3.366
54 HE1 PHE 5 HE1 PHE 5 -7.586 -5.328 0.702
55 HE2 PHE 5 HE2 PHE 5 -7.887 -3.679 -3.245
56 HZ PHE 5 HZ PHE 5 -8.967 -4.603 -1.218
57 H SER 6 H SER 6 -1.513 -2.511 -2.437
58 HA SER 6 HA SER 6 1.217 -3.310 -1.392
59 HB2 SER 6 2HB SER 6 1.938 -2.544 -3.684
60 HB3 SER 6 1HB SER 6 0.714 -3.799 -3.725
61 HG SER 6 HG SER 6 0.089 -1.007 -3.912
62 H LYS 7 H LYS 7 -0.239 -1.168 0.020
63 HA LYS 7 HA LYS 7 1.455 1.322 -0.463
64 HB2 LYS 7 2HB LYS 7 -0.942 1.523 0.080
65 HB3 LYS 7 1HB LYS 7 -0.723 0.759 1.646
66 HG2 LYS 7 2HG LYS 7 1.059 3.166 1.022
67 HG3 LYS 7 1HG LYS 7 -0.642 3.530 1.102
68 HD2 LYS 7 2HD LYS 7 -0.841 3.180 3.380
69 HD3 LYS 7 1HD LYS 7 0.272 1.833 3.432
70 HE2 LYS 7 2HE LYS 7 2.273 3.229 3.366
71 HE3 LYS 7 1HE LYS 7 1.360 4.681 2.931
72 HZ1 LYS 7 1HZ LYS 7 1.793 4.660 5.401
73 HZ2 LYS 7 2HZ LYS 7 0.179 4.535 5.145
74 HZ3 LYS 7 3HZ LYS 7 1.036 3.212 5.571
75 H PHE 8 H PHE 8 1.070 -1.054 2.138
76 HA PHE 8 HA PHE 8 3.470 -0.113 3.697
77 HB2 PHE 8 2HB PHE 8 1.246 -2.152 4.083
78 HB3 PHE 8 1HB PHE 8 2.788 -2.784 4.509
79 HD1 PHE 8 HD1 PHE 8 3.033 -2.730 6.833
80 HD2 PHE 8 HD2 PHE 8 1.324 0.701 4.916
81 HE1 PHE 8 HE1 PHE 8 2.946 -1.565 8.994
82 HE2 PHE 8 HE2 PHE 8 1.247 1.876 7.101
83 HZ PHE 8 HZ PHE 8 2.064 0.742 9.130
84 H LEU 9 H LEU 9 2.815 -2.808 1.509
85 HA LEU 9 HA LEU 9 5.652 -3.748 1.498
86 HB2 LEU 9 2HB LEU 9 3.094 -4.508 0.020
87 HB3 LEU 9 1HB LEU 9 4.563 -4.706 -0.883
88 HG LEU 9 HG LEU 9 5.568 -6.059 1.067
89 HD11 LEU 9 1HD1 LEU 9 2.672 -5.776 2.114
90 HD12 LEU 9 2HD1 LEU 9 3.698 -7.163 2.549
91 HD13 LEU 9 3HD1 LEU 9 4.205 -5.523 2.983
92 HD21 LEU 9 1HD2 LEU 9 3.138 -6.993 -0.582
93 HD22 LEU 9 2HD2 LEU 9 4.874 -7.183 -0.928
94 HD23 LEU 9 3HD2 LEU 9 4.134 -8.110 0.386
95 H GLY 10 H GLY 10 3.810 -1.527 -0.644
96 HA2 GLY 10 1HA GLY 10 5.864 -1.158 -2.703
97 HA3 GLY 10 2HA GLY 10 4.644 0.027 -2.306
98 H ARG 11 H ARG 11 5.461 0.553 0.337
99 HA ARG 11 HA ARG 11 7.814 2.394 -0.015
100 HB2 ARG 11 2HB ARG 11 5.834 1.732 2.237
101 HB3 ARG 11 1HB ARG 11 7.375 2.321 2.754
102 HG2 ARG 11 2HG ARG 11 5.814 3.833 0.583
103 HG3 ARG 11 1HG ARG 11 5.468 4.073 2.275
104 HD2 ARG 11 2HD ARG 11 8.453 4.186 1.754
105 HD3 ARG 11 1HD ARG 11 7.591 5.260 0.663
106 HE ARG 11 HE ARG 11 6.634 5.581 3.485
107 HH11 ARG 11 1HH1 ARG 11 9.700 7.898 2.429
108 HH12 ARG 11 2HH1 ARG 11 9.304 6.407 1.451
109 HH21 ARG 11 1HH2 ARG 11 8.479 8.345 4.113
110 HH22 ARG 11 2HH2 ARG 11 7.078 7.277 4.574
111 H ILE 12 H ILE 12 7.369 -0.512 2.021
112 HA ILE 12 HA ILE 12 10.214 -0.676 2.829
113 HB ILE 12 HB ILE 12 8.154 -2.934 2.788
114 HG12 ILE 12 2HG1 ILE 12 8.687 -1.012 5.142
115 HG13 ILE 12 1HG1 ILE 12 7.272 -0.991 4.127
116 HG21 ILE 12 1HG2 ILE 12 9.876 -4.248 3.532
117 HG22 ILE 12 2HG2 ILE 12 11.000 -2.892 3.656
118 HG23 ILE 12 3HG2 ILE 12 9.980 -3.301 5.028
119 HD11 ILE 12 1HD1 ILE 12 7.895 -2.916 6.332
120 HD12 ILE 12 2HD1 ILE 12 6.317 -2.330 5.745
121 HD13 ILE 12 3HD1 ILE 12 7.145 -3.659 4.904
122 H LEU 13 H LEU 13 8.485 -2.018 0.047
123 HA LEU 13 HA LEU 13 10.409 -3.779 -1.102
124 HB2 LEU 13 2HB LEU 13 8.240 -1.917 -2.167
125 HB3 LEU 13 1HB LEU 13 9.403 -2.362 -3.351
126 HG LEU 13 HG LEU 13 7.846 -4.434 -1.722
127 HD11 LEU 13 1HD1 LEU 13 6.951 -4.528 -4.443
128 HD12 LEU 13 2HD1 LEU 13 6.072 -3.824 -3.076
129 HD13 LEU 13 3HD1 LEU 13 7.069 -2.798 -4.123
130 HD21 LEU 13 1HD2 LEU 13 10.234 -4.972 -2.936
131 HD22 LEU 13 2HD2 LEU 13 8.885 -6.108 -3.024
132 HD23 LEU 13 3HD2 LEU 13 9.247 -5.023 -4.393
133 HN1 NH2 14 1HN NH2 14 12.254 -0.258 -2.061
134 HN2 NH2 14 2HN NH2 14 10.468 -0.222 -1.614