NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599395 |
2mz3   |
25471 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 3.086 0.361 -1.020
3 HB2 ARG 1 2HB ARG 1 1.202 -1.765 -2.058
4 HB3 ARG 1 3HB ARG 1 2.799 -1.398 -2.697
5 HG2 ARG 1 2HG ARG 1 2.501 -2.165 0.170
6 HG3 ARG 1 3HG ARG 1 2.462 -3.407 -1.083
7 HD2 ARG 1 2HD ARG 1 4.700 -3.385 -0.697
8 HD3 ARG 1 3HD ARG 1 4.627 -2.094 -1.896
9 HE ARG 1 HE ARG 1 4.321 -0.762 0.425
10 HH11 ARG 1 1HH1 ARG 1 6.643 -3.119 -0.658
11 HH12 ARG 1 2HH1 ARG 1 7.929 -2.493 0.319
12 HH21 ARG 1 1HH2 ARG 1 6.007 0.072 1.716
13 HH22 ARG 1 2HH2 ARG 1 7.567 -0.678 1.670
14 H SER 2 H SER 2 3.055 0.759 -3.458
15 HA SER 2 HA SER 2 1.296 2.940 -3.967
16 HB2 SER 2 2HB SER 2 3.304 1.506 -5.714
17 HB3 SER 2 3HB SER 2 2.397 2.924 -6.241
18 HG SER 2 HG SER 2 4.567 3.259 -5.269
19 H LYS 3 H LYS 3 1.263 -0.440 -4.733
20 HA LYS 3 HA LYS 3 -0.746 -0.189 -6.797
21 HB2 LYS 3 2HB LYS 3 -0.650 -2.588 -6.947
22 HB3 LYS 3 3HB LYS 3 0.994 -1.975 -6.828
23 HG2 LYS 3 2HG LYS 3 0.962 -2.513 -4.406
24 HG3 LYS 3 3HG LYS 3 -0.625 -3.252 -4.635
25 HD2 LYS 3 2HD LYS 3 0.425 -4.748 -6.353
26 HD3 LYS 3 3HD LYS 3 1.993 -4.102 -5.865
27 HE2 LYS 3 2HE LYS 3 1.535 -4.859 -3.553
28 HE3 LYS 3 3HE LYS 3 0.032 -5.586 -4.118
29 HZ1 LYS 3 3HZ LYS 3 1.652 -6.751 -5.788
30 HZ2 LYS 3 1HZ LYS 3 1.430 -7.365 -4.227
31 HZ3 LYS 3 2HZ LYS 3 2.797 -6.435 -4.584
32 H ASP 4 H ASP 4 -0.604 -0.848 -3.375
33 HA ASP 4 HA ASP 4 -3.256 -1.871 -3.133
34 HB2 ASP 4 2HB ASP 4 -1.016 -1.374 -1.397
35 HB3 ASP 4 3HB ASP 4 -2.485 -0.726 -0.671
36 H LEU 5 H LEU 5 -1.922 1.272 -3.439
37 HA LEU 5 HA LEU 5 -3.800 2.826 -2.076
38 HB2 LEU 5 2HB LEU 5 -1.572 3.389 -3.419
39 HB3 LEU 5 3HB LEU 5 -2.742 3.816 -4.665
40 HG LEU 5 HG LEU 5 -3.767 5.172 -2.571
41 HD11 LEU 5 1HD1 LEU 5 -2.346 5.461 -0.898
42 HD12 LEU 5 2HD1 LEU 5 -1.136 6.100 -2.010
43 HD13 LEU 5 3HD1 LEU 5 -1.206 4.368 -1.683
44 HD21 LEU 5 3HD2 LEU 5 -3.158 7.047 -3.726
45 HD22 LEU 5 1HD2 LEU 5 -2.879 5.825 -4.967
46 HD23 LEU 5 2HD2 LEU 5 -1.522 6.463 -4.036
47 H ARG 6 H ARG 6 -4.088 1.007 -4.974
48 HA ARG 6 HA ARG 6 -6.264 2.466 -6.116
49 HB2 ARG 6 2HB ARG 6 -4.806 -0.031 -6.691
50 HB3 ARG 6 3HB ARG 6 -6.492 -0.026 -7.189
51 HG2 ARG 6 2HG ARG 6 -5.196 0.699 -9.038
52 HG3 ARG 6 3HG ARG 6 -6.043 2.111 -8.402
53 HD2 ARG 6 2HD ARG 6 -4.081 2.937 -7.368
54 HD3 ARG 6 3HD ARG 6 -3.228 1.412 -7.607
55 HE ARG 6 HE ARG 6 -3.932 2.386 -10.119
56 HH11 ARG 6 1HH1 ARG 6 -1.893 3.282 -7.442
57 HH12 ARG 6 2HH1 ARG 6 -0.744 4.122 -8.430
58 HH21 ARG 6 1HH2 ARG 6 -2.426 3.490 -11.429
59 HH22 ARG 6 2HH2 ARG 6 -1.049 4.241 -10.697
60 H HIS 7 H HIS 7 -5.961 0.110 -3.631
61 HA HIS 7 HA HIS 7 -8.634 -0.902 -3.764
62 HB2 HIS 7 2HB HIS 7 -6.586 -2.020 -2.688
63 HB3 HIS 7 3HB HIS 7 -6.877 -0.953 -1.318
64 HD1 HIS 7 HD1 HIS 7 -7.563 -2.773 0.314
65 HD2 HIS 7 HD2 HIS 7 -9.827 -2.758 -3.170
66 HE1 HIS 7 HE1 HIS 7 -9.478 -4.343 0.750
67 H ALA 8 H ALA 8 -7.179 1.924 -2.488
68 HA ALA 8 HA ALA 8 -9.039 2.486 -0.416
69 HB1 ALA 8 1HB ALA 8 -8.092 4.700 -0.392
70 HB2 ALA 8 2HB ALA 8 -6.795 3.519 -0.583
71 HB3 ALA 8 3HB ALA 8 -7.358 4.444 -1.975
72 H PHE 9 H PHE 9 -9.097 2.868 -3.856
73 HA PHE 9 HA PHE 9 -11.029 4.908 -4.062
74 HB2 PHE 9 2HB PHE 9 -9.995 2.777 -5.879
75 HB3 PHE 9 3HB PHE 9 -11.478 3.612 -6.331
76 HD1 PHE 9 HD2 PHE 9 -7.928 4.170 -5.426
77 HD2 PHE 9 HD1 PHE 9 -11.407 5.719 -7.326
78 HE1 PHE 9 HE2 PHE 9 -6.598 6.028 -6.338
79 HE2 PHE 9 HE1 PHE 9 -10.082 7.579 -8.243
80 HZ PHE 9 HZ PHE 9 -7.675 7.736 -7.748
81 H ARG 10 H ARG 10 -11.266 1.529 -3.341
82 HA ARG 10 HA ARG 10 -14.012 1.192 -3.996
83 HB2 ARG 10 2HB ARG 10 -12.049 -0.539 -3.438
84 HB3 ARG 10 3HB ARG 10 -12.791 -0.456 -1.846
85 HG2 ARG 10 2HG ARG 10 -13.815 -2.271 -2.908
86 HG3 ARG 10 3HG ARG 10 -14.991 -0.959 -3.010
87 HD2 ARG 10 2HD ARG 10 -14.438 -0.540 -5.290
88 HD3 ARG 10 3HD ARG 10 -13.046 -1.618 -5.211
89 HE ARG 10 HE ARG 10 -15.372 -3.068 -4.594
90 HH11 ARG 10 1HH1 ARG 10 -13.814 -1.505 -7.287
91 HH12 ARG 10 2HH1 ARG 10 -14.516 -2.556 -8.471
92 HH21 ARG 10 1HH2 ARG 10 -16.302 -4.459 -6.144
93 HH22 ARG 10 2HH2 ARG 10 -15.931 -4.236 -7.821
94 H SER 11 H SER 11 -12.299 2.367 -1.196
95 HA SER 11 HA SER 11 -14.250 2.107 0.768
96 HB2 SER 11 2HB SER 11 -12.021 2.807 1.361
97 HB3 SER 11 3HB SER 11 -12.164 4.263 0.376
98 HG SER 11 HG SER 11 -13.328 3.661 2.856
99 H MET 12 H MET 12 -14.056 4.287 -1.923
100 HA MET 12 HA MET 12 -15.955 6.185 -0.934
101 HB2 MET 12 2HB MET 12 -14.431 5.755 -3.413
102 HB3 MET 12 3HB MET 12 -16.006 6.503 -3.647
103 HG2 MET 12 2HG MET 12 -15.051 8.438 -3.164
104 HG3 MET 12 3HG MET 12 -14.913 7.871 -1.501
105 HE1 MET 12 3HE MET 12 -11.918 7.322 -4.816
106 HE2 MET 12 1HE MET 12 -13.585 7.891 -4.912
107 HE3 MET 12 2HE MET 12 -12.284 9.031 -4.571
108 H PHE 13 H PHE 13 -16.128 3.156 -2.604
109 HA PHE 13 HA PHE 13 -18.796 3.506 -3.595
110 HB2 PHE 13 2HB PHE 13 -16.764 1.366 -3.591
111 HB3 PHE 13 3HB PHE 13 -18.434 0.808 -3.587
112 HD1 PHE 13 HD2 PHE 13 -16.812 3.728 -5.237
113 HD2 PHE 13 HD1 PHE 13 -18.933 0.068 -5.707
114 HE1 PHE 13 HE2 PHE 13 -16.943 4.119 -7.663
115 HE2 PHE 13 HE1 PHE 13 -19.068 0.453 -8.133
116 HZ PHE 13 HZ PHE 13 -18.073 2.482 -9.114
117 HA PRO 14 HA PRO 14 -21.166 2.253 -0.117
118 HB2 PRO 14 2HB PRO 14 -23.155 0.803 -1.261
119 HB3 PRO 14 3HB PRO 14 -23.031 2.559 -1.423
120 HG2 PRO 14 2HG PRO 14 -22.283 0.419 -3.358
121 HG3 PRO 14 3HG PRO 14 -22.992 2.015 -3.664
122 HD2 PRO 14 2HD PRO 14 -20.369 1.415 -4.039
123 HD3 PRO 14 3HD PRO 14 -21.002 3.044 -3.726
124 H SEP 15 H SEP 15 -19.755 -0.181 -2.169
125 HA SEP 15 HA SEP 15 -20.629 -2.453 -0.580
126 HB2 SEP 15 2HB SEP 15 -18.576 -2.092 -2.849
127 HB3 SEP 15 3HB SEP 15 -18.565 -3.582 -1.939
128 H SER 16 H SER 16 -17.863 -0.324 -0.590
129 HA SER 16 HA SER 16 -16.569 -1.765 1.570
130 HB2 SER 16 2HB SER 16 -15.269 -0.673 -0.276
131 HB3 SER 16 3HB SER 16 -15.789 0.892 0.349
132 HG SER 16 HG SER 16 -13.666 -0.145 1.069
133 H GLU 17 H GLU 17 -18.642 0.977 1.124
134 HA GLU 17 HA GLU 17 -18.153 2.017 3.790
135 HB2 GLU 17 2HB GLU 17 -19.542 2.932 1.367
136 HB3 GLU 17 3HB GLU 17 -20.352 3.359 2.868
137 HG2 GLU 17 2HG GLU 17 -17.443 3.919 2.392
138 HG3 GLU 17 3HG GLU 17 -18.718 5.044 1.927
Start of MODEL 2
1 H1 ARG 1 H ARG 1 3.822 2.286 -0.798
2 HA ARG 1 HA ARG 1 2.601 -0.070 -1.309
3 HB2 ARG 1 2HB ARG 1 1.035 1.448 0.781
4 HB3 ARG 1 3HB ARG 1 0.345 0.174 -0.216
5 HG2 ARG 1 2HG ARG 1 1.055 -1.335 1.232
6 HG3 ARG 1 3HG ARG 1 2.722 -0.840 0.931
7 HD2 ARG 1 2HD ARG 1 2.520 0.893 2.639
8 HD3 ARG 1 3HD ARG 1 0.847 0.421 2.929
9 HE ARG 1 HE ARG 1 1.592 -1.378 4.148
10 HH11 ARG 1 1HH1 ARG 1 4.250 0.026 2.392
11 HH12 ARG 1 2HH1 ARG 1 5.456 -0.913 3.209
12 HH21 ARG 1 1HH2 ARG 1 3.169 -2.620 5.231
13 HH22 ARG 1 2HH2 ARG 1 4.840 -2.418 4.823
14 H SER 2 H SER 2 3.146 1.390 -3.179
15 HA SER 2 HA SER 2 1.219 3.464 -3.781
16 HB2 SER 2 2HB SER 2 2.569 4.003 -5.626
17 HB3 SER 2 3HB SER 2 3.727 3.449 -4.416
18 HG SER 2 HG SER 2 4.265 1.901 -5.717
19 H LYS 3 H LYS 3 1.750 0.117 -4.530
20 HA LYS 3 HA LYS 3 -0.100 0.086 -6.751
21 HB2 LYS 3 2HB LYS 3 1.940 -1.618 -5.775
22 HB3 LYS 3 3HB LYS 3 0.441 -2.535 -5.718
23 HG2 LYS 3 2HG LYS 3 0.178 -1.547 -8.162
24 HG3 LYS 3 3HG LYS 3 1.939 -1.482 -8.048
25 HD2 LYS 3 2HD LYS 3 1.788 -3.916 -7.261
26 HD3 LYS 3 3HD LYS 3 0.130 -3.875 -7.866
27 HE2 LYS 3 2HE LYS 3 2.039 -2.795 -9.772
28 HE3 LYS 3 3HE LYS 3 2.402 -4.462 -9.330
29 HZ1 LYS 3 3HZ LYS 3 -0.375 -4.129 -9.795
30 HZ2 LYS 3 1HZ LYS 3 0.717 -5.172 -10.557
31 HZ3 LYS 3 2HZ LYS 3 0.509 -3.597 -11.136
32 H ASP 4 H ASP 4 -0.141 -0.582 -3.327
33 HA ASP 4 HA ASP 4 -2.688 -1.914 -3.362
34 HB2 ASP 4 2HB ASP 4 -0.606 -1.416 -1.445
35 HB3 ASP 4 3HB ASP 4 -2.159 -0.938 -0.764
36 H LEU 5 H LEU 5 -1.604 1.337 -3.305
37 HA LEU 5 HA LEU 5 -3.682 2.611 -1.942
38 HB2 LEU 5 2HB LEU 5 -1.432 3.463 -3.081
39 HB3 LEU 5 3HB LEU 5 -2.559 3.912 -4.359
40 HG LEU 5 HG LEU 5 -3.847 5.059 -2.369
41 HD11 LEU 5 1HD1 LEU 5 -2.120 6.055 -0.808
42 HD12 LEU 5 2HD1 LEU 5 -1.035 4.774 -1.348
43 HD13 LEU 5 3HD1 LEU 5 -2.544 4.365 -0.533
44 HD21 LEU 5 3HD2 LEU 5 -1.861 5.900 -4.273
45 HD22 LEU 5 1HD2 LEU 5 -1.782 6.890 -2.816
46 HD23 LEU 5 2HD2 LEU 5 -3.300 6.747 -3.704
47 H ARG 6 H ARG 6 -3.644 1.047 -4.999
48 HA ARG 6 HA ARG 6 -5.861 2.432 -6.155
49 HB2 ARG 6 2HB ARG 6 -4.208 0.070 -6.830
50 HB3 ARG 6 3HB ARG 6 -5.839 0.085 -7.488
51 HG2 ARG 6 2HG ARG 6 -5.238 1.508 -9.072
52 HG3 ARG 6 3HG ARG 6 -4.615 2.645 -7.876
53 HD2 ARG 6 2HD ARG 6 -2.469 1.743 -7.958
54 HD3 ARG 6 3HD ARG 6 -3.031 0.230 -8.669
55 HE ARG 6 HE ARG 6 -2.348 2.652 -10.058
56 HH11 ARG 6 1HH1 ARG 6 -4.193 -0.297 -10.184
57 HH12 ARG 6 2HH1 ARG 6 -4.258 -0.336 -11.915
58 HH21 ARG 6 1HH2 ARG 6 -2.427 2.612 -12.337
59 HH22 ARG 6 2HH2 ARG 6 -3.252 1.319 -13.139
60 H HIS 7 H HIS 7 -5.514 -0.111 -3.867
61 HA HIS 7 HA HIS 7 -8.082 -1.307 -4.267
62 HB2 HIS 7 2HB HIS 7 -5.893 -2.202 -3.054
63 HB3 HIS 7 3HB HIS 7 -6.681 -1.505 -1.641
64 HD1 HIS 7 HD1 HIS 7 -7.116 -4.205 -4.220
65 HD2 HIS 7 HD2 HIS 7 -8.844 -2.931 -0.663
66 HE1 HIS 7 HE1 HIS 7 -8.700 -6.039 -3.547
67 H ALA 8 H ALA 8 -6.940 1.491 -2.653
68 HA ALA 8 HA ALA 8 -8.947 1.718 -0.661
69 HB1 ALA 8 1HB ALA 8 -8.270 4.213 -0.819
70 HB2 ALA 8 2HB ALA 8 -7.087 3.035 -0.249
71 HB3 ALA 8 3HB ALA 8 -7.012 3.629 -1.908
72 H PHE 9 H PHE 9 -8.869 2.391 -4.055
73 HA PHE 9 HA PHE 9 -10.852 4.314 -4.314
74 HB2 PHE 9 2HB PHE 9 -9.424 2.580 -6.037
75 HB3 PHE 9 3HB PHE 9 -11.133 2.377 -6.412
76 HD1 PHE 9 HD1 PHE 9 -12.321 4.929 -6.167
77 HD2 PHE 9 HD2 PHE 9 -8.418 3.958 -7.561
78 HE1 PHE 9 HE1 PHE 9 -12.278 7.007 -7.485
79 HE2 PHE 9 HE2 PHE 9 -8.369 6.034 -8.880
80 HZ PHE 9 HZ PHE 9 -10.300 7.562 -8.843
81 H ARG 10 H ARG 10 -11.113 0.894 -3.658
82 HA ARG 10 HA ARG 10 -13.904 0.676 -4.192
83 HB2 ARG 10 2HB ARG 10 -11.833 -1.094 -3.629
84 HB3 ARG 10 3HB ARG 10 -12.895 -1.221 -2.232
85 HG2 ARG 10 2HG ARG 10 -14.689 -1.317 -4.265
86 HG3 ARG 10 3HG ARG 10 -13.292 -2.111 -4.994
87 HD2 ARG 10 2HD ARG 10 -13.172 -3.546 -2.928
88 HD3 ARG 10 3HD ARG 10 -14.728 -2.863 -2.456
89 HE ARG 10 HE ARG 10 -14.741 -3.979 -5.097
90 HH11 ARG 10 1HH1 ARG 10 -15.058 -4.696 -1.704
91 HH12 ARG 10 2HH1 ARG 10 -16.006 -6.123 -1.961
92 HH21 ARG 10 1HH2 ARG 10 -15.989 -5.856 -5.447
93 HH22 ARG 10 2HH2 ARG 10 -16.534 -6.783 -4.090
94 H SER 11 H SER 11 -11.985 1.521 -1.390
95 HA SER 11 HA SER 11 -13.987 1.251 0.573
96 HB2 SER 11 2HB SER 11 -12.461 2.158 2.025
97 HB3 SER 11 3HB SER 11 -11.363 1.740 0.710
98 HG SER 11 HG SER 11 -11.346 3.990 1.651
99 H MET 12 H MET 12 -13.352 3.696 -1.800
100 HA MET 12 HA MET 12 -14.892 5.760 -0.552
101 HB2 MET 12 2HB MET 12 -13.607 5.373 -3.220
102 HB3 MET 12 3HB MET 12 -14.826 6.628 -3.047
103 HG2 MET 12 2HG MET 12 -13.212 7.961 -2.335
104 HG3 MET 12 3HG MET 12 -13.163 6.992 -0.864
105 HE1 MET 12 3HE MET 12 -9.811 8.263 -2.351
106 HE2 MET 12 1HE MET 12 -11.104 8.528 -1.182
107 HE3 MET 12 2HE MET 12 -9.797 7.404 -0.810
108 H PHE 13 H PHE 13 -15.578 3.066 -2.616
109 HA PHE 13 HA PHE 13 -18.066 3.989 -3.635
110 HB2 PHE 13 2HB PHE 13 -16.592 1.415 -3.574
111 HB3 PHE 13 3HB PHE 13 -18.336 1.315 -3.789
112 HD1 PHE 13 HD2 PHE 13 -15.349 3.078 -5.141
113 HD2 PHE 13 HD1 PHE 13 -19.228 1.502 -5.907
114 HE1 PHE 13 HE2 PHE 13 -15.077 3.582 -7.533
115 HE2 PHE 13 HE1 PHE 13 -18.962 2.002 -8.301
116 HZ PHE 13 HZ PHE 13 -16.885 3.045 -9.117
117 HA PRO 14 HA PRO 14 -20.849 3.170 -0.339
118 HB2 PRO 14 2HB PRO 14 -23.037 2.235 -1.644
119 HB3 PRO 14 3HB PRO 14 -22.523 3.925 -1.721
120 HG2 PRO 14 2HG PRO 14 -22.153 1.737 -3.711
121 HG3 PRO 14 3HG PRO 14 -22.473 3.461 -3.979
122 HD2 PRO 14 2HD PRO 14 -20.024 2.311 -4.251
123 HD3 PRO 14 3HD PRO 14 -20.311 4.027 -3.896
124 H SEP 15 H SEP 15 -19.875 0.559 -2.423
125 HA SEP 15 HA SEP 15 -21.320 -1.521 -0.995
126 HB2 SEP 15 2HB SEP 15 -19.965 -1.430 -3.468
127 HB3 SEP 15 3HB SEP 15 -18.833 -2.358 -2.517
128 H SER 16 H SER 16 -18.187 -0.018 -0.727
129 HA SER 16 HA SER 16 -17.392 -1.784 1.445
130 HB2 SER 16 2HB SER 16 -15.986 0.551 0.129
131 HB3 SER 16 3HB SER 16 -15.296 -0.418 1.431
132 HG SER 16 HG SER 16 -14.855 -1.934 0.045
133 H GLU 17 H GLU 17 -18.728 1.376 0.951
134 HA GLU 17 HA GLU 17 -18.195 2.216 3.683
135 HB2 GLU 17 2HB GLU 17 -19.170 3.503 1.208
136 HB3 GLU 17 3HB GLU 17 -19.856 4.121 2.704
137 HG2 GLU 17 2HG GLU 17 -16.924 3.786 2.636
138 HG3 GLU 17 3HG GLU 17 -17.604 5.059 1.624
Start of MODEL 3
1 H1 ARG 1 H ARG 1 1.044 2.495 1.177
2 HA ARG 1 HA ARG 1 2.924 1.371 -0.123
3 HB2 ARG 1 2HB ARG 1 1.426 -0.831 0.589
4 HB3 ARG 1 3HB ARG 1 1.016 -0.616 -1.108
5 HG2 ARG 1 2HG ARG 1 3.117 -1.116 -1.826
6 HG3 ARG 1 3HG ARG 1 3.882 -0.517 -0.353
7 HD2 ARG 1 2HD ARG 1 2.529 -2.571 0.684
8 HD3 ARG 1 3HD ARG 1 2.734 -3.180 -0.958
9 HE ARG 1 HE ARG 1 5.173 -2.192 0.163
10 HH11 ARG 1 1HH1 ARG 1 3.025 -4.930 0.037
11 HH12 ARG 1 2HH1 ARG 1 4.262 -6.083 0.413
12 HH21 ARG 1 1HH2 ARG 1 6.810 -3.701 0.659
13 HH22 ARG 1 2HH2 ARG 1 6.415 -5.383 0.767
14 H SER 2 H SER 2 2.967 1.579 -2.426
15 HA SER 2 HA SER 2 1.087 3.501 -3.396
16 HB2 SER 2 2HB SER 2 2.972 2.126 -5.256
17 HB3 SER 2 3HB SER 2 2.554 3.835 -5.141
18 HG SER 2 HG SER 2 4.713 3.218 -4.388
19 H LYS 3 H LYS 3 1.514 0.062 -3.728
20 HA LYS 3 HA LYS 3 -0.329 -0.173 -5.941
21 HB2 LYS 3 2HB LYS 3 1.064 -2.207 -4.200
22 HB3 LYS 3 3HB LYS 3 -0.066 -2.651 -5.472
23 HG2 LYS 3 2HG LYS 3 1.349 -1.726 -7.154
24 HG3 LYS 3 3HG LYS 3 2.413 -1.012 -5.940
25 HD2 LYS 3 2HD LYS 3 3.400 -3.014 -5.430
26 HD3 LYS 3 3HD LYS 3 1.970 -3.953 -5.865
27 HE2 LYS 3 2HE LYS 3 3.426 -2.476 -8.004
28 HE3 LYS 3 3HE LYS 3 4.129 -3.965 -7.375
29 HZ1 LYS 3 3HZ LYS 3 2.387 -3.916 -9.367
30 HZ2 LYS 3 1HZ LYS 3 1.307 -4.064 -8.073
31 HZ3 LYS 3 2HZ LYS 3 2.519 -5.221 -8.298
32 H ASP 4 H ASP 4 -0.419 -0.394 -2.465
33 HA ASP 4 HA ASP 4 -2.954 -1.705 -2.304
34 HB2 ASP 4 2HB ASP 4 -0.943 -0.737 -0.467
35 HB3 ASP 4 3HB ASP 4 -2.552 -0.265 0.073
36 H LEU 5 H LEU 5 -1.936 1.522 -2.860
37 HA LEU 5 HA LEU 5 -4.075 2.984 -1.817
38 HB2 LEU 5 2HB LEU 5 -1.827 3.473 -3.445
39 HB3 LEU 5 3HB LEU 5 -3.226 4.102 -4.313
40 HG LEU 5 HG LEU 5 -2.218 5.866 -3.022
41 HD11 LEU 5 1HD1 LEU 5 -4.688 5.774 -3.215
42 HD12 LEU 5 2HD1 LEU 5 -4.126 6.615 -1.772
43 HD13 LEU 5 3HD1 LEU 5 -4.746 4.969 -1.647
44 HD21 LEU 5 3HD2 LEU 5 -1.377 5.626 -0.969
45 HD22 LEU 5 1HD2 LEU 5 -1.586 3.892 -1.211
46 HD23 LEU 5 2HD2 LEU 5 -2.830 4.821 -0.374
47 H ARG 6 H ARG 6 -3.925 0.856 -4.509
48 HA ARG 6 HA ARG 6 -6.138 1.934 -5.961
49 HB2 ARG 6 2HB ARG 6 -4.193 0.234 -6.645
50 HB3 ARG 6 3HB ARG 6 -5.428 -0.942 -6.216
51 HG2 ARG 6 2HG ARG 6 -6.370 -0.677 -8.196
52 HG3 ARG 6 3HG ARG 6 -6.643 1.031 -7.845
53 HD2 ARG 6 2HD ARG 6 -3.929 0.166 -8.710
54 HD3 ARG 6 3HD ARG 6 -5.207 0.265 -9.920
55 HE ARG 6 HE ARG 6 -3.904 2.458 -8.584
56 HH11 ARG 6 1HH1 ARG 6 -6.737 1.417 -10.319
57 HH12 ARG 6 2HH1 ARG 6 -7.166 3.013 -10.837
58 HH21 ARG 6 1HH2 ARG 6 -4.458 4.564 -9.260
59 HH22 ARG 6 2HH2 ARG 6 -5.869 4.803 -10.235
60 H HIS 7 H HIS 7 -5.800 -0.105 -3.214
61 HA HIS 7 HA HIS 7 -8.335 -1.418 -3.429
62 HB2 HIS 7 2HB HIS 7 -6.473 -1.057 -1.073
63 HB3 HIS 7 3HB HIS 7 -7.908 -2.078 -1.063
64 HD1 HIS 7 HD1 HIS 7 -4.927 -3.082 -0.663
65 HD2 HIS 7 HD2 HIS 7 -7.147 -3.323 -4.167
66 HE1 HIS 7 HE1 HIS 7 -3.899 -4.960 -1.983
67 H ALA 8 H ALA 8 -7.284 1.663 -2.360
68 HA ALA 8 HA ALA 8 -9.348 2.220 -0.494
69 HB1 ALA 8 1HB ALA 8 -7.706 4.139 -2.142
70 HB2 ALA 8 2HB ALA 8 -8.665 4.548 -0.719
71 HB3 ALA 8 3HB ALA 8 -7.261 3.493 -0.562
72 H PHE 9 H PHE 9 -9.184 2.241 -3.951
73 HA PHE 9 HA PHE 9 -11.187 4.042 -4.617
74 HB2 PHE 9 2HB PHE 9 -9.611 2.263 -6.001
75 HB3 PHE 9 3HB PHE 9 -11.222 1.590 -6.225
76 HD1 PHE 9 HD2 PHE 9 -9.104 4.548 -6.776
77 HD2 PHE 9 HD1 PHE 9 -12.825 2.658 -7.612
78 HE1 PHE 9 HE2 PHE 9 -9.541 6.198 -8.548
79 HE2 PHE 9 HE1 PHE 9 -13.267 4.305 -9.385
80 HZ PHE 9 HZ PHE 9 -11.625 6.079 -9.855
81 H ARG 10 H ARG 10 -11.413 0.796 -3.346
82 HA ARG 10 HA ARG 10 -14.207 0.477 -3.879
83 HB2 ARG 10 2HB ARG 10 -12.440 -1.003 -1.922
84 HB3 ARG 10 3HB ARG 10 -14.041 -1.505 -2.451
85 HG2 ARG 10 2HG ARG 10 -12.054 -1.040 -4.580
86 HG3 ARG 10 3HG ARG 10 -11.769 -2.426 -3.525
87 HD2 ARG 10 2HD ARG 10 -13.593 -3.547 -4.279
88 HD3 ARG 10 3HD ARG 10 -14.523 -2.073 -4.543
89 HE ARG 10 HE ARG 10 -13.782 -2.042 -6.706
90 HH11 ARG 10 1HH1 ARG 10 -11.749 -4.168 -4.843
91 HH12 ARG 10 2HH1 ARG 10 -10.879 -4.756 -6.221
92 HH21 ARG 10 1HH2 ARG 10 -12.644 -2.809 -8.527
93 HH22 ARG 10 2HH2 ARG 10 -11.388 -3.982 -8.316
94 H SER 11 H SER 11 -12.287 1.722 -1.235
95 HA SER 11 HA SER 11 -14.298 1.725 0.746
96 HB2 SER 11 2HB SER 11 -11.590 2.537 0.547
97 HB3 SER 11 3HB SER 11 -12.503 3.934 1.117
98 HG SER 11 HG SER 11 -12.647 2.988 2.975
99 H MET 12 H MET 12 -13.613 3.830 -1.925
100 HA MET 12 HA MET 12 -15.138 6.057 -0.977
101 HB2 MET 12 2HB MET 12 -13.442 5.485 -3.194
102 HB3 MET 12 3HB MET 12 -14.977 6.070 -3.823
103 HG2 MET 12 2HG MET 12 -13.493 7.922 -3.542
104 HG3 MET 12 3HG MET 12 -14.787 8.041 -2.353
105 HE1 MET 12 3HE MET 12 -10.786 7.805 -2.743
106 HE2 MET 12 1HE MET 12 -11.809 9.241 -2.788
107 HE3 MET 12 2HE MET 12 -10.750 8.957 -1.407
108 H PHE 13 H PHE 13 -15.847 3.118 -2.667
109 HA PHE 13 HA PHE 13 -18.334 3.939 -3.791
110 HB2 PHE 13 2HB PHE 13 -16.823 1.419 -3.517
111 HB3 PHE 13 3HB PHE 13 -18.572 1.236 -3.598
112 HD1 PHE 13 HD2 PHE 13 -15.929 3.235 -5.323
113 HD2 PHE 13 HD1 PHE 13 -19.430 0.841 -5.678
114 HE1 PHE 13 HE2 PHE 13 -15.835 3.467 -7.770
115 HE2 PHE 13 HE1 PHE 13 -19.342 1.068 -8.126
116 HZ PHE 13 HZ PHE 13 -17.543 2.383 -9.176
117 HA PRO 14 HA PRO 14 -21.100 3.479 -0.411
118 HB2 PRO 14 2HB PRO 14 -23.298 2.420 -1.599
119 HB3 PRO 14 3HB PRO 14 -22.779 4.090 -1.857
120 HG2 PRO 14 2HG PRO 14 -22.435 1.705 -3.608
121 HG3 PRO 14 3HG PRO 14 -22.737 3.395 -4.053
122 HD2 PRO 14 2HD PRO 14 -20.303 2.204 -4.213
123 HD3 PRO 14 3HD PRO 14 -20.573 3.951 -4.046
124 H SEP 15 H SEP 15 -20.148 0.660 -2.217
125 HA SEP 15 HA SEP 15 -21.588 -1.252 -0.567
126 HB2 SEP 15 2HB SEP 15 -21.056 -2.454 -2.490
127 HB3 SEP 15 3HB SEP 15 -19.758 -1.370 -2.924
128 H SER 16 H SER 16 -18.441 0.246 -0.491
129 HA SER 16 HA SER 16 -17.632 -1.283 1.847
130 HB2 SER 16 2HB SER 16 -15.997 -0.711 0.048
131 HB3 SER 16 3HB SER 16 -16.185 0.991 0.468
132 HG SER 16 HG SER 16 -14.978 -1.083 1.922
133 H GLU 17 H GLU 17 -18.971 1.812 1.046
134 HA GLU 17 HA GLU 17 -18.420 2.915 3.681
135 HB2 GLU 17 2HB GLU 17 -18.607 4.098 1.253
136 HB3 GLU 17 3HB GLU 17 -20.243 4.346 1.846
137 HG2 GLU 17 2HG GLU 17 -19.551 6.063 3.045
138 HG3 GLU 17 3HG GLU 17 -18.466 5.006 3.944
Start of MODEL 4
1 H1 ARG 1 H ARG 1 1.868 0.680 0.897
2 HA ARG 1 HA ARG 1 3.875 0.514 -1.255
3 HB2 ARG 1 2HB ARG 1 1.637 -1.282 -0.537
4 HB3 ARG 1 3HB ARG 1 1.823 -0.941 -2.252
5 HG2 ARG 1 2HG ARG 1 3.261 -2.643 -2.244
6 HG3 ARG 1 3HG ARG 1 4.387 -1.503 -1.504
7 HD2 ARG 1 2HD ARG 1 2.799 -2.475 0.588
8 HD3 ARG 1 3HD ARG 1 3.196 -3.879 -0.401
9 HE ARG 1 HE ARG 1 5.545 -2.442 -0.026
10 HH11 ARG 1 1HH1 ARG 1 3.229 -4.193 1.896
11 HH12 ARG 1 2HH1 ARG 1 4.384 -4.654 3.102
12 HH21 ARG 1 1HH2 ARG 1 7.074 -3.043 1.555
13 HH22 ARG 1 2HH2 ARG 1 6.571 -3.999 2.908
14 H SER 2 H SER 2 3.527 1.695 -3.054
15 HA SER 2 HA SER 2 1.453 3.684 -2.984
16 HB2 SER 2 2HB SER 2 3.989 3.483 -4.152
17 HB3 SER 2 3HB SER 2 2.867 3.538 -5.511
18 HG SER 2 HG SER 2 3.658 5.612 -4.544
19 H LYS 3 H LYS 3 1.976 0.640 -4.566
20 HA LYS 3 HA LYS 3 -0.007 1.010 -6.602
21 HB2 LYS 3 2HB LYS 3 0.275 -1.443 -6.955
22 HB3 LYS 3 3HB LYS 3 1.784 -0.541 -7.018
23 HG2 LYS 3 2HG LYS 3 2.635 -1.595 -5.234
24 HG3 LYS 3 3HG LYS 3 1.098 -1.586 -4.367
25 HD2 LYS 3 2HD LYS 3 1.073 -3.328 -6.702
26 HD3 LYS 3 3HD LYS 3 2.301 -3.784 -5.518
27 HE2 LYS 3 2HE LYS 3 0.601 -3.830 -3.767
28 HE3 LYS 3 3HE LYS 3 -0.627 -3.343 -4.934
29 HZ1 LYS 3 3HZ LYS 3 0.362 -5.492 -6.139
30 HZ2 LYS 3 1HZ LYS 3 -0.941 -5.553 -5.061
31 HZ3 LYS 3 2HZ LYS 3 0.618 -5.935 -4.527
32 H ASP 4 H ASP 4 0.012 -0.085 -3.313
33 HA ASP 4 HA ASP 4 -2.496 -1.456 -3.411
34 HB2 ASP 4 2HB ASP 4 -0.439 -0.939 -1.454
35 HB3 ASP 4 3HB ASP 4 -2.030 -0.628 -0.764
36 H LEU 5 H LEU 5 -1.544 1.829 -3.182
37 HA LEU 5 HA LEU 5 -3.669 2.942 -1.751
38 HB2 LEU 5 2HB LEU 5 -1.451 3.893 -3.055
39 HB3 LEU 5 3HB LEU 5 -2.771 4.539 -4.028
40 HG LEU 5 HG LEU 5 -2.802 4.910 -1.062
41 HD11 LEU 5 1HD1 LEU 5 -1.649 7.155 -2.471
42 HD12 LEU 5 2HD1 LEU 5 -0.634 5.719 -2.592
43 HD13 LEU 5 3HD1 LEU 5 -1.100 6.337 -1.008
44 HD21 LEU 5 3HD2 LEU 5 -3.661 7.196 -2.308
45 HD22 LEU 5 1HD2 LEU 5 -4.697 5.896 -1.717
46 HD23 LEU 5 2HD2 LEU 5 -4.202 5.929 -3.410
47 H ARG 6 H ARG 6 -3.576 1.547 -4.888
48 HA ARG 6 HA ARG 6 -5.850 2.900 -5.967
49 HB2 ARG 6 2HB ARG 6 -3.904 1.065 -6.899
50 HB3 ARG 6 3HB ARG 6 -5.476 0.320 -7.158
51 HG2 ARG 6 2HG ARG 6 -5.555 3.070 -7.964
52 HG3 ARG 6 3HG ARG 6 -4.205 2.244 -8.743
53 HD2 ARG 6 2HD ARG 6 -6.687 0.696 -8.706
54 HD3 ARG 6 3HD ARG 6 -6.801 2.208 -9.606
55 HE ARG 6 HE ARG 6 -4.499 1.092 -10.512
56 HH11 ARG 6 1HH1 ARG 6 -7.783 -0.028 -10.230
57 HH12 ARG 6 2HH1 ARG 6 -7.678 -1.084 -11.599
58 HH21 ARG 6 1HH2 ARG 6 -4.349 -0.295 -12.316
59 HH22 ARG 6 2HH2 ARG 6 -5.724 -1.237 -12.784
60 H HIS 7 H HIS 7 -5.394 0.255 -3.818
61 HA HIS 7 HA HIS 7 -7.916 -1.018 -4.279
62 HB2 HIS 7 2HB HIS 7 -5.824 -2.071 -3.249
63 HB3 HIS 7 3HB HIS 7 -6.268 -1.235 -1.763
64 HD1 HIS 7 HD1 HIS 7 -8.198 -3.411 -4.233
65 HD2 HIS 7 HD2 HIS 7 -7.567 -2.955 -0.152
66 HE1 HIS 7 HE1 HIS 7 -9.603 -5.183 -3.134
67 H ALA 8 H ALA 8 -6.875 1.728 -2.514
68 HA ALA 8 HA ALA 8 -8.886 1.764 -0.512
69 HB1 ALA 8 1HB ALA 8 -8.288 4.213 -0.368
70 HB2 ALA 8 2HB ALA 8 -6.958 3.079 -0.130
71 HB3 ALA 8 3HB ALA 8 -7.136 3.919 -1.671
72 H PHE 9 H PHE 9 -8.829 2.641 -3.859
73 HA PHE 9 HA PHE 9 -10.875 4.509 -4.007
74 HB2 PHE 9 2HB PHE 9 -9.332 3.580 -5.865
75 HB3 PHE 9 3HB PHE 9 -10.565 2.339 -6.065
76 HD1 PHE 9 HD2 PHE 9 -10.032 6.008 -6.095
77 HD2 PHE 9 HD1 PHE 9 -12.472 2.749 -7.339
78 HE1 PHE 9 HE2 PHE 9 -11.320 7.528 -7.539
79 HE2 PHE 9 HE1 PHE 9 -13.762 4.264 -8.786
80 HZ PHE 9 HZ PHE 9 -13.188 6.657 -8.887
81 H ARG 10 H ARG 10 -11.017 1.071 -3.484
82 HA ARG 10 HA ARG 10 -13.791 0.763 -4.076
83 HB2 ARG 10 2HB ARG 10 -11.599 -0.912 -3.191
84 HB3 ARG 10 3HB ARG 10 -13.068 -1.264 -2.290
85 HG2 ARG 10 2HG ARG 10 -14.218 -1.949 -4.175
86 HG3 ARG 10 3HG ARG 10 -13.141 -1.080 -5.270
87 HD2 ARG 10 2HD ARG 10 -11.335 -2.713 -4.347
88 HD3 ARG 10 3HD ARG 10 -12.724 -3.688 -3.868
89 HE ARG 10 HE ARG 10 -12.967 -2.922 -6.574
90 HH11 ARG 10 1HH1 ARG 10 -11.157 -5.051 -4.498
91 HH12 ARG 10 2HH1 ARG 10 -10.858 -6.221 -5.741
92 HH21 ARG 10 1HH2 ARG 10 -12.581 -4.455 -8.218
93 HH22 ARG 10 2HH2 ARG 10 -11.668 -5.880 -7.857
94 H SER 11 H SER 11 -11.951 1.638 -1.244
95 HA SER 11 HA SER 11 -14.002 1.213 0.670
96 HB2 SER 11 2HB SER 11 -12.126 3.355 1.333
97 HB3 SER 11 3HB SER 11 -12.421 1.823 2.154
98 HG SER 11 HG SER 11 -10.654 1.128 1.283
99 H MET 12 H MET 12 -13.297 3.768 -1.564
100 HA MET 12 HA MET 12 -14.840 5.790 -0.263
101 HB2 MET 12 2HB MET 12 -12.970 5.999 -2.084
102 HB3 MET 12 3HB MET 12 -14.304 5.794 -3.211
103 HG2 MET 12 2HG MET 12 -15.436 7.721 -2.111
104 HG3 MET 12 3HG MET 12 -13.973 7.967 -1.160
105 HE1 MET 12 3HE MET 12 -12.427 10.564 -2.981
106 HE2 MET 12 1HE MET 12 -12.776 9.657 -1.509
107 HE3 MET 12 2HE MET 12 -11.497 9.115 -2.596
108 H PHE 13 H PHE 13 -15.541 3.174 -2.423
109 HA PHE 13 HA PHE 13 -18.018 4.151 -3.417
110 HB2 PHE 13 2HB PHE 13 -16.443 1.719 -3.623
111 HB3 PHE 13 3HB PHE 13 -18.162 1.366 -3.476
112 HD1 PHE 13 HD2 PHE 13 -16.354 4.144 -5.177
113 HD2 PHE 13 HD1 PHE 13 -18.936 0.783 -5.563
114 HE1 PHE 13 HE2 PHE 13 -16.658 4.656 -7.564
115 HE2 PHE 13 HE1 PHE 13 -19.244 1.289 -7.951
116 HZ PHE 13 HZ PHE 13 -18.105 3.229 -8.954
117 HA PRO 14 HA PRO 14 -20.816 3.238 -0.157
118 HB2 PRO 14 2HB PRO 14 -23.011 2.379 -1.503
119 HB3 PRO 14 3HB PRO 14 -22.478 4.064 -1.513
120 HG2 PRO 14 2HG PRO 14 -22.140 1.957 -3.589
121 HG3 PRO 14 3HG PRO 14 -22.416 3.698 -3.785
122 HD2 PRO 14 2HD PRO 14 -19.997 2.504 -4.095
123 HD3 PRO 14 3HD PRO 14 -20.251 4.214 -3.688
124 H SEP 15 H SEP 15 -19.894 0.694 -2.355
125 HA SEP 15 HA SEP 15 -21.353 -1.416 -0.989
126 HB2 SEP 15 2HB SEP 15 -19.856 -2.982 -2.412
127 HB3 SEP 15 3HB SEP 15 -20.751 -1.808 -3.344
128 H SER 16 H SER 16 -18.149 -0.038 -0.755
129 HA SER 16 HA SER 16 -17.370 -1.879 1.349
130 HB2 SER 16 2HB SER 16 -15.743 -1.068 -0.375
131 HB3 SER 16 3HB SER 16 -15.882 0.547 0.320
132 HG SER 16 HG SER 16 -15.059 -0.270 2.259
133 H GLU 17 H GLU 17 -18.654 1.322 1.010
134 HA GLU 17 HA GLU 17 -17.985 2.166 3.679
135 HB2 GLU 17 2HB GLU 17 -18.291 3.726 1.728
136 HB3 GLU 17 3HB GLU 17 -20.014 3.382 1.802
137 HG2 GLU 17 2HG GLU 17 -20.272 4.468 3.840
138 HG3 GLU 17 3HG GLU 17 -18.548 4.399 4.202
Start of MODEL 5
1 H1 ARG 1 H ARG 1 4.360 2.138 -2.274
2 HA ARG 1 HA ARG 1 3.012 -0.098 -2.460
3 HB2 ARG 1 2HB ARG 1 2.203 1.192 0.104
4 HB3 ARG 1 3HB ARG 1 0.964 0.375 -0.839
5 HG2 ARG 1 2HG ARG 1 2.347 -1.674 -0.809
6 HG3 ARG 1 3HG ARG 1 3.499 -0.840 0.236
7 HD2 ARG 1 2HD ARG 1 2.223 -1.134 2.048
8 HD3 ARG 1 3HD ARG 1 0.758 -0.651 1.195
9 HE ARG 1 HE ARG 1 1.373 -3.185 0.292
10 HH11 ARG 1 1HH1 ARG 1 0.605 -1.682 3.337
11 HH12 ARG 1 2HH1 ARG 1 -0.129 -3.104 4.002
12 HH21 ARG 1 1HH2 ARG 1 0.410 -5.063 1.156
13 HH22 ARG 1 2HH2 ARG 1 -0.238 -5.026 2.761
14 H SER 2 H SER 2 3.162 1.556 -4.309
15 HA SER 2 HA SER 2 1.024 3.497 -4.411
16 HB2 SER 2 2HB SER 2 3.477 3.134 -5.755
17 HB3 SER 2 3HB SER 2 2.220 2.986 -6.983
18 HG SER 2 HG SER 2 1.364 4.997 -6.066
19 H LYS 3 H LYS 3 1.599 0.238 -5.454
20 HA LYS 3 HA LYS 3 -0.524 0.135 -7.370
21 HB2 LYS 3 2HB LYS 3 -0.165 -2.335 -7.239
22 HB3 LYS 3 3HB LYS 3 1.292 -1.419 -7.600
23 HG2 LYS 3 2HG LYS 3 2.322 -2.102 -5.742
24 HG3 LYS 3 3HG LYS 3 0.881 -1.878 -4.748
25 HD2 LYS 3 2HD LYS 3 0.560 -4.090 -6.580
26 HD3 LYS 3 3HD LYS 3 1.995 -4.296 -5.574
27 HE2 LYS 3 2HE LYS 3 0.347 -3.566 -3.657
28 HE3 LYS 3 3HE LYS 3 -0.876 -4.138 -4.790
29 HZ1 LYS 3 3HZ LYS 3 1.167 -5.647 -3.343
30 HZ2 LYS 3 1HZ LYS 3 0.749 -6.187 -4.891
31 HZ3 LYS 3 2HZ LYS 3 -0.437 -6.059 -3.692
32 H ASP 4 H ASP 4 -0.256 -0.323 -3.937
33 HA ASP 4 HA ASP 4 -2.791 -1.668 -3.669
34 HB2 ASP 4 2HB ASP 4 -0.538 -1.069 -1.973
35 HB3 ASP 4 3HB ASP 4 -2.036 -0.598 -1.175
36 H LEU 5 H LEU 5 -1.697 1.575 -3.863
37 HA LEU 5 HA LEU 5 -3.633 2.924 -2.369
38 HB2 LEU 5 2HB LEU 5 -1.507 3.649 -3.913
39 HB3 LEU 5 3HB LEU 5 -2.862 4.214 -4.887
40 HG LEU 5 HG LEU 5 -3.660 5.477 -2.866
41 HD11 LEU 5 1HD1 LEU 5 -2.587 5.433 -0.906
42 HD12 LEU 5 2HD1 LEU 5 -0.996 5.481 -1.666
43 HD13 LEU 5 3HD1 LEU 5 -1.851 3.947 -1.507
44 HD21 LEU 5 3HD2 LEU 5 -0.955 6.523 -3.403
45 HD22 LEU 5 1HD2 LEU 5 -2.529 7.303 -3.559
46 HD23 LEU 5 2HD2 LEU 5 -1.960 6.209 -4.820
47 H ARG 6 H ARG 6 -3.890 1.223 -5.341
48 HA ARG 6 HA ARG 6 -6.203 2.570 -6.343
49 HB2 ARG 6 2HB ARG 6 -4.833 -0.023 -7.003
50 HB3 ARG 6 3HB ARG 6 -6.380 0.392 -7.729
51 HG2 ARG 6 2HG ARG 6 -5.465 2.299 -8.801
52 HG3 ARG 6 3HG ARG 6 -3.965 2.173 -7.880
53 HD2 ARG 6 2HD ARG 6 -3.562 -0.030 -8.972
54 HD3 ARG 6 3HD ARG 6 -4.979 0.263 -9.979
55 HE ARG 6 HE ARG 6 -3.242 2.450 -10.210
56 HH11 ARG 6 1HH1 ARG 6 -3.416 -0.921 -11.064
57 HH12 ARG 6 2HH1 ARG 6 -2.406 -0.753 -12.462
58 HH21 ARG 6 1HH2 ARG 6 -1.911 2.684 -12.048
59 HH22 ARG 6 2HH2 ARG 6 -1.550 1.297 -13.020
60 H HIS 7 H HIS 7 -5.646 0.131 -3.985
61 HA HIS 7 HA HIS 7 -8.247 -1.061 -4.085
62 HB2 HIS 7 2HB HIS 7 -5.811 -1.632 -2.818
63 HB3 HIS 7 3HB HIS 7 -6.953 -1.328 -1.512
64 HD1 HIS 7 HD1 HIS 7 -5.993 -3.830 -4.029
65 HD2 HIS 7 HD2 HIS 7 -9.215 -3.110 -1.507
66 HE1 HIS 7 HE1 HIS 7 -7.295 -5.981 -3.971
67 H ALA 8 H ALA 8 -6.939 1.791 -2.710
68 HA ALA 8 HA ALA 8 -8.738 2.121 -0.543
69 HB1 ALA 8 1HB ALA 8 -7.994 4.443 -0.524
70 HB2 ALA 8 2HB ALA 8 -6.626 3.341 -0.688
71 HB3 ALA 8 3HB ALA 8 -7.226 4.218 -2.096
72 H PHE 9 H PHE 9 -8.996 2.645 -3.954
73 HA PHE 9 HA PHE 9 -11.065 4.544 -4.000
74 HB2 PHE 9 2HB PHE 9 -9.634 3.001 -5.890
75 HB3 PHE 9 3HB PHE 9 -11.343 2.692 -6.178
76 HD1 PHE 9 HD1 PHE 9 -12.849 4.868 -6.186
77 HD2 PHE 9 HD2 PHE 9 -8.661 4.789 -6.944
78 HE1 PHE 9 HE1 PHE 9 -13.031 7.002 -7.396
79 HE2 PHE 9 HE2 PHE 9 -8.837 6.924 -8.154
80 HZ PHE 9 HZ PHE 9 -11.024 8.034 -8.381
81 H ARG 10 H ARG 10 -11.062 1.129 -3.380
82 HA ARG 10 HA ARG 10 -13.841 0.690 -3.842
83 HB2 ARG 10 2HB ARG 10 -11.690 -0.858 -2.420
84 HB3 ARG 10 3HB ARG 10 -13.367 -1.386 -2.387
85 HG2 ARG 10 2HG ARG 10 -13.157 -1.125 -4.995
86 HG3 ARG 10 3HG ARG 10 -11.439 -1.327 -4.645
87 HD2 ARG 10 2HD ARG 10 -12.658 -3.295 -3.134
88 HD3 ARG 10 3HD ARG 10 -13.588 -3.281 -4.632
89 HE ARG 10 HE ARG 10 -10.932 -4.242 -4.281
90 HH11 ARG 10 1HH1 ARG 10 -13.057 -2.687 -6.558
91 HH12 ARG 10 2HH1 ARG 10 -12.206 -3.270 -7.949
92 HH21 ARG 10 1HH2 ARG 10 -9.802 -5.016 -6.105
93 HH22 ARG 10 2HH2 ARG 10 -10.355 -4.595 -7.691
94 H SER 11 H SER 11 -11.919 1.696 -1.097
95 HA SER 11 HA SER 11 -13.869 1.287 0.907
96 HB2 SER 11 2HB SER 11 -11.914 1.664 1.988
97 HB3 SER 11 3HB SER 11 -11.275 2.663 0.683
98 HG SER 11 HG SER 11 -11.609 4.161 2.159
99 H MET 12 H MET 12 -13.385 3.784 -1.451
100 HA MET 12 HA MET 12 -15.007 5.758 -0.163
101 HB2 MET 12 2HB MET 12 -13.264 5.706 -2.343
102 HB3 MET 12 3HB MET 12 -14.840 6.047 -3.044
103 HG2 MET 12 2HG MET 12 -15.037 8.059 -1.978
104 HG3 MET 12 3HG MET 12 -13.987 7.581 -0.647
105 HE1 MET 12 3HE MET 12 -13.497 10.475 -3.342
106 HE2 MET 12 1HE MET 12 -14.109 10.154 -1.718
107 HE3 MET 12 2HE MET 12 -12.437 10.668 -1.944
108 H PHE 13 H PHE 13 -15.591 3.051 -2.241
109 HA PHE 13 HA PHE 13 -18.135 3.860 -3.218
110 HB2 PHE 13 2HB PHE 13 -16.518 1.383 -3.225
111 HB3 PHE 13 3HB PHE 13 -18.259 1.160 -3.364
112 HD1 PHE 13 HD2 PHE 13 -15.656 3.435 -4.781
113 HD2 PHE 13 HD1 PHE 13 -19.064 0.986 -5.495
114 HE1 PHE 13 HE2 PHE 13 -15.528 3.962 -7.180
115 HE2 PHE 13 HE1 PHE 13 -18.940 1.508 -7.896
116 HZ PHE 13 HZ PHE 13 -17.171 2.999 -8.741
117 HA PRO 14 HA PRO 14 -20.823 2.873 0.113
118 HB2 PRO 14 2HB PRO 14 -22.991 1.867 -1.170
119 HB3 PRO 14 3HB PRO 14 -22.547 3.577 -1.234
120 HG2 PRO 14 2HG PRO 14 -22.129 1.433 -3.259
121 HG3 PRO 14 3HG PRO 14 -22.511 3.148 -3.498
122 HD2 PRO 14 2HD PRO 14 -20.029 2.084 -3.819
123 HD3 PRO 14 3HD PRO 14 -20.369 3.788 -3.453
124 H SEP 15 H SEP 15 -19.774 0.336 -2.026
125 HA SEP 15 HA SEP 15 -21.105 -1.823 -0.607
126 HB2 SEP 15 2HB SEP 15 -20.238 -3.205 -2.301
127 HB3 SEP 15 3HB SEP 15 -19.936 -1.687 -3.108
128 H SER 16 H SER 16 -18.033 -0.195 -0.370
129 HA SER 16 HA SER 16 -17.088 -1.965 1.725
130 HB2 SER 16 2HB SER 16 -15.898 0.536 0.505
131 HB3 SER 16 3HB SER 16 -15.111 -0.428 1.755
132 HG SER 16 HG SER 16 -15.078 -2.173 0.322
133 H GLU 17 H GLU 17 -18.675 1.102 1.406
134 HA GLU 17 HA GLU 17 -18.090 2.029 4.053
135 HB2 GLU 17 2HB GLU 17 -18.753 3.426 1.990
136 HB3 GLU 17 3HB GLU 17 -20.404 2.958 2.371
137 HG2 GLU 17 2HG GLU 17 -20.448 4.180 4.321
138 HG3 GLU 17 3HG GLU 17 -18.693 4.172 4.489
Start of MODEL 6
1 H1 ARG 1 H ARG 1 1.143 1.546 1.096
2 HA ARG 1 HA ARG 1 3.205 1.149 -0.312
3 HB2 ARG 1 2HB ARG 1 1.388 -1.008 -1.402
4 HB3 ARG 1 3HB ARG 1 2.968 -0.573 -2.040
5 HG2 ARG 1 2HG ARG 1 3.293 -1.129 0.712
6 HG3 ARG 1 3HG ARG 1 2.321 -2.426 0.013
7 HD2 ARG 1 2HD ARG 1 4.116 -2.367 -1.877
8 HD3 ARG 1 3HD ARG 1 5.102 -1.563 -0.656
9 HE ARG 1 HE ARG 1 3.885 -4.020 0.231
10 HH11 ARG 1 1HH1 ARG 1 6.640 -2.562 -1.321
11 HH12 ARG 1 2HH1 ARG 1 7.711 -3.869 -0.939
12 HH21 ARG 1 1HH2 ARG 1 5.286 -5.747 0.740
13 HH22 ARG 1 2HH2 ARG 1 6.940 -5.681 0.232
14 H SER 2 H SER 2 3.124 1.514 -2.793
15 HA SER 2 HA SER 2 1.210 3.627 -3.237
16 HB2 SER 2 2HB SER 2 3.494 4.000 -3.946
17 HB3 SER 2 3HB SER 2 3.462 2.550 -4.950
18 HG SER 2 HG SER 2 3.113 4.541 -6.111
19 H LYS 3 H LYS 3 1.734 0.351 -4.324
20 HA LYS 3 HA LYS 3 -0.171 0.501 -6.475
21 HB2 LYS 3 2HB LYS 3 0.265 -1.820 -6.815
22 HB3 LYS 3 3HB LYS 3 1.802 -1.058 -6.429
23 HG2 LYS 3 2HG LYS 3 1.044 -1.808 -3.968
24 HG3 LYS 3 3HG LYS 3 0.244 -3.057 -4.925
25 HD2 LYS 3 2HD LYS 3 2.892 -2.681 -5.922
26 HD3 LYS 3 3HD LYS 3 2.967 -2.898 -4.171
27 HE2 LYS 3 2HE LYS 3 3.058 -5.077 -4.919
28 HE3 LYS 3 3HE LYS 3 1.332 -4.873 -4.622
29 HZ1 LYS 3 3HZ LYS 3 2.644 -5.508 -7.037
30 HZ2 LYS 3 1HZ LYS 3 1.801 -4.054 -7.230
31 HZ3 LYS 3 2HZ LYS 3 0.984 -5.444 -6.718
32 H ASP 4 H ASP 4 -0.180 -0.472 -3.113
33 HA ASP 4 HA ASP 4 -2.746 -1.737 -3.200
34 HB2 ASP 4 2HB ASP 4 -0.653 -1.343 -1.266
35 HB3 ASP 4 3HB ASP 4 -2.205 -0.905 -0.557
36 H LEU 5 H LEU 5 -1.644 1.501 -2.978
37 HA LEU 5 HA LEU 5 -3.710 2.712 -1.540
38 HB2 LEU 5 2HB LEU 5 -1.454 3.590 -2.718
39 HB3 LEU 5 3HB LEU 5 -2.649 4.181 -3.871
40 HG LEU 5 HG LEU 5 -3.753 5.092 -1.609
41 HD11 LEU 5 1HD1 LEU 5 -2.309 4.562 0.064
42 HD12 LEU 5 2HD1 LEU 5 -1.594 6.093 -0.439
43 HD13 LEU 5 3HD1 LEU 5 -0.899 4.571 -0.995
44 HD21 LEU 5 3HD2 LEU 5 -3.310 6.488 -3.489
45 HD22 LEU 5 1HD2 LEU 5 -1.568 6.358 -3.250
46 HD23 LEU 5 2HD2 LEU 5 -2.555 7.238 -2.083
47 H ARG 6 H ARG 6 -3.693 1.311 -4.676
48 HA ARG 6 HA ARG 6 -5.907 2.765 -5.747
49 HB2 ARG 6 2HB ARG 6 -4.151 1.518 -7.082
50 HB3 ARG 6 3HB ARG 6 -4.956 0.031 -6.599
51 HG2 ARG 6 2HG ARG 6 -6.318 0.243 -8.327
52 HG3 ARG 6 3HG ARG 6 -6.952 1.731 -7.622
53 HD2 ARG 6 2HD ARG 6 -6.231 2.527 -9.639
54 HD3 ARG 6 3HD ARG 6 -4.769 2.759 -8.681
55 HE ARG 6 HE ARG 6 -3.724 1.251 -10.030
56 HH11 ARG 6 1HH1 ARG 6 -7.160 0.742 -10.259
57 HH12 ARG 6 2HH1 ARG 6 -7.030 -0.465 -11.496
58 HH21 ARG 6 1HH2 ARG 6 -3.540 -0.336 -11.658
59 HH22 ARG 6 2HH2 ARG 6 -4.971 -1.078 -12.290
60 H HIS 7 H HIS 7 -5.564 0.105 -3.598
61 HA HIS 7 HA HIS 7 -8.137 -1.061 -4.048
62 HB2 HIS 7 2HB HIS 7 -5.990 -2.074 -2.925
63 HB3 HIS 7 3HB HIS 7 -6.659 -1.363 -1.460
64 HD1 HIS 7 HD1 HIS 7 -8.613 -2.549 -0.374
65 HD2 HIS 7 HD2 HIS 7 -7.583 -4.156 -4.064
66 HE1 HIS 7 HE1 HIS 7 -9.927 -4.685 -0.567
67 H ALA 8 H ALA 8 -6.987 1.654 -2.304
68 HA ALA 8 HA ALA 8 -9.005 1.788 -0.309
69 HB1 ALA 8 1HB ALA 8 -6.933 3.623 -1.371
70 HB2 ALA 8 2HB ALA 8 -8.279 4.338 -0.483
71 HB3 ALA 8 3HB ALA 8 -7.262 3.120 0.287
72 H PHE 9 H PHE 9 -8.890 2.642 -3.661
73 HA PHE 9 HA PHE 9 -10.848 4.600 -3.832
74 HB2 PHE 9 2HB PHE 9 -9.324 3.439 -5.658
75 HB3 PHE 9 3HB PHE 9 -10.763 2.457 -5.911
76 HD1 PHE 9 HD2 PHE 9 -9.969 6.073 -5.410
77 HD2 PHE 9 HD1 PHE 9 -12.120 3.137 -7.617
78 HE1 PHE 9 HE2 PHE 9 -10.922 7.843 -6.828
79 HE2 PHE 9 HE1 PHE 9 -13.076 4.903 -9.040
80 HZ PHE 9 HZ PHE 9 -12.478 7.259 -8.646
81 H ARG 10 H ARG 10 -11.155 1.148 -3.377
82 HA ARG 10 HA ARG 10 -13.900 0.908 -3.990
83 HB2 ARG 10 2HB ARG 10 -11.831 -0.800 -3.154
84 HB3 ARG 10 3HB ARG 10 -13.081 -0.932 -1.924
85 HG2 ARG 10 2HG ARG 10 -14.534 -1.959 -3.313
86 HG3 ARG 10 3HG ARG 10 -13.989 -1.056 -4.728
87 HD2 ARG 10 2HD ARG 10 -12.295 -3.168 -3.425
88 HD3 ARG 10 3HD ARG 10 -13.488 -3.558 -4.663
89 HE ARG 10 HE ARG 10 -11.672 -1.483 -5.453
90 HH11 ARG 10 1HH1 ARG 10 -12.147 -4.925 -5.244
91 HH12 ARG 10 2HH1 ARG 10 -11.033 -5.288 -6.520
92 HH21 ARG 10 1HH2 ARG 10 -10.202 -1.947 -7.134
93 HH22 ARG 10 2HH2 ARG 10 -9.926 -3.593 -7.593
94 H SER 11 H SER 11 -12.187 1.966 -1.147
95 HA SER 11 HA SER 11 -14.256 1.686 0.740
96 HB2 SER 11 2HB SER 11 -11.650 2.429 0.887
97 HB3 SER 11 3HB SER 11 -12.439 3.995 1.076
98 HG SER 11 HG SER 11 -12.820 3.420 3.049
99 H MET 12 H MET 12 -13.670 4.023 -1.751
100 HA MET 12 HA MET 12 -15.370 6.065 -0.699
101 HB2 MET 12 2HB MET 12 -13.528 5.877 -2.776
102 HB3 MET 12 3HB MET 12 -15.069 6.106 -3.590
103 HG2 MET 12 2HG MET 12 -15.471 8.140 -2.401
104 HG3 MET 12 3HG MET 12 -14.059 7.875 -1.381
105 HE1 MET 12 3HE MET 12 -13.830 10.665 -2.379
106 HE2 MET 12 1HE MET 12 -12.537 9.717 -1.642
107 HE3 MET 12 2HE MET 12 -12.230 10.628 -3.121
108 H PHE 13 H PHE 13 -15.845 3.195 -2.575
109 HA PHE 13 HA PHE 13 -18.351 3.894 -3.719
110 HB2 PHE 13 2HB PHE 13 -16.699 1.459 -3.480
111 HB3 PHE 13 3HB PHE 13 -18.431 1.178 -3.622
112 HD1 PHE 13 HD2 PHE 13 -16.269 3.781 -5.170
113 HD2 PHE 13 HD1 PHE 13 -18.795 0.408 -5.766
114 HE1 PHE 13 HE2 PHE 13 -16.116 4.101 -7.605
115 HE2 PHE 13 HE1 PHE 13 -18.646 0.722 -8.202
116 HZ PHE 13 HZ PHE 13 -17.306 2.571 -9.124
117 HA PRO 14 HA PRO 14 -21.172 3.154 -0.435
118 HB2 PRO 14 2HB PRO 14 -23.274 2.018 -1.720
119 HB3 PRO 14 3HB PRO 14 -22.843 3.722 -1.909
120 HG2 PRO 14 2HG PRO 14 -22.314 1.419 -3.725
121 HG3 PRO 14 3HG PRO 14 -22.709 3.101 -4.125
122 HD2 PRO 14 2HD PRO 14 -20.198 2.060 -4.253
123 HD3 PRO 14 3HD PRO 14 -20.580 3.780 -4.038
124 H SEP 15 H SEP 15 -19.997 0.465 -2.301
125 HA SEP 15 HA SEP 15 -21.374 -1.589 -0.774
126 HB2 SEP 15 2HB SEP 15 -19.802 -1.549 -3.180
127 HB3 SEP 15 3HB SEP 15 -18.845 -2.516 -2.086
128 H SER 16 H SER 16 -18.338 0.101 -0.521
129 HA SER 16 HA SER 16 -17.519 -1.464 1.791
130 HB2 SER 16 2HB SER 16 -16.225 0.745 0.203
131 HB3 SER 16 3HB SER 16 -15.555 0.200 1.740
132 HG SER 16 HG SER 16 -14.833 -1.530 0.792
133 H GLU 17 H GLU 17 -18.986 1.590 1.038
134 HA GLU 17 HA GLU 17 -18.512 2.795 3.594
135 HB2 GLU 17 2HB GLU 17 -19.727 3.552 1.080
136 HB3 GLU 17 3HB GLU 17 -20.737 4.041 2.433
137 HG2 GLU 17 2HG GLU 17 -18.868 5.236 3.422
138 HG3 GLU 17 3HG GLU 17 -17.822 4.716 2.101
Start of MODEL 7
1 H1 ARG 1 H ARG 1 2.062 -0.145 1.315
2 HA ARG 1 HA ARG 1 3.580 0.736 -0.769
3 HB2 ARG 1 2HB ARG 1 1.316 -1.260 -0.947
4 HB3 ARG 1 3HB ARG 1 2.628 -1.098 -2.107
5 HG2 ARG 1 2HG ARG 1 4.087 -1.464 0.082
6 HG3 ARG 1 3HG ARG 1 2.619 -2.296 0.599
7 HD2 ARG 1 2HD ARG 1 2.796 -3.907 -1.037
8 HD3 ARG 1 3HD ARG 1 3.743 -2.869 -2.103
9 HE ARG 1 HE ARG 1 5.169 -3.489 0.276
10 HH11 ARG 1 1HH1 ARG 1 4.204 -4.793 -2.804
11 HH12 ARG 1 2HH1 ARG 1 5.542 -5.888 -2.906
12 HH21 ARG 1 1HH2 ARG 1 6.936 -4.927 0.153
13 HH22 ARG 1 2HH2 ARG 1 7.095 -5.964 -1.224
14 H SER 2 H SER 2 3.232 1.611 -2.805
15 HA SER 2 HA SER 2 1.117 3.505 -2.991
16 HB2 SER 2 2HB SER 2 3.606 3.194 -4.178
17 HB3 SER 2 3HB SER 2 2.478 2.945 -5.512
18 HG SER 2 HG SER 2 3.238 5.217 -4.736
19 H LYS 3 H LYS 3 1.600 0.273 -4.168
20 HA LYS 3 HA LYS 3 -0.409 0.321 -6.186
21 HB2 LYS 3 2HB LYS 3 1.260 -1.737 -4.859
22 HB3 LYS 3 3HB LYS 3 -0.249 -2.299 -5.567
23 HG2 LYS 3 2HG LYS 3 0.390 -1.579 -7.728
24 HG3 LYS 3 3HG LYS 3 1.762 -0.668 -7.093
25 HD2 LYS 3 2HD LYS 3 1.979 -3.386 -6.246
26 HD3 LYS 3 3HD LYS 3 1.703 -3.349 -7.989
27 HE2 LYS 3 2HE LYS 3 4.030 -3.238 -7.758
28 HE3 LYS 3 3HE LYS 3 3.536 -1.573 -8.064
29 HZ1 LYS 3 3HZ LYS 3 3.449 -1.868 -5.334
30 HZ2 LYS 3 1HZ LYS 3 4.629 -1.045 -6.224
31 HZ3 LYS 3 2HZ LYS 3 4.866 -2.665 -5.801
32 H ASP 4 H ASP 4 -0.401 -0.290 -2.749
33 HA ASP 4 HA ASP 4 -2.979 -1.492 -2.618
34 HB2 ASP 4 2HB ASP 4 -0.881 -0.789 -0.783
35 HB3 ASP 4 3HB ASP 4 -2.426 -0.223 -0.153
36 H LEU 5 H LEU 5 -1.875 1.738 -2.944
37 HA LEU 5 HA LEU 5 -3.938 3.173 -1.726
38 HB2 LEU 5 2HB LEU 5 -1.688 3.780 -3.187
39 HB3 LEU 5 3HB LEU 5 -2.996 4.334 -4.230
40 HG LEU 5 HG LEU 5 -3.827 5.549 -2.077
41 HD11 LEU 5 1HD1 LEU 5 -1.561 6.321 -0.926
42 HD12 LEU 5 2HD1 LEU 5 -1.085 4.681 -1.366
43 HD13 LEU 5 3HD1 LEU 5 -2.496 4.945 -0.341
44 HD21 LEU 5 3HD2 LEU 5 -2.036 7.391 -2.640
45 HD22 LEU 5 1HD2 LEU 5 -3.289 6.955 -3.802
46 HD23 LEU 5 2HD2 LEU 5 -1.660 6.301 -3.976
47 H ARG 6 H ARG 6 -3.928 1.266 -4.582
48 HA ARG 6 HA ARG 6 -6.144 2.522 -5.877
49 HB2 ARG 6 2HB ARG 6 -4.469 0.134 -6.303
50 HB3 ARG 6 3HB ARG 6 -6.122 -0.008 -6.886
51 HG2 ARG 6 2HG ARG 6 -5.861 1.853 -8.335
52 HG3 ARG 6 3HG ARG 6 -4.316 2.286 -7.601
53 HD2 ARG 6 2HD ARG 6 -3.836 -0.272 -8.373
54 HD3 ARG 6 3HD ARG 6 -4.950 0.259 -9.632
55 HE ARG 6 HE ARG 6 -3.143 2.274 -9.495
56 HH11 ARG 6 1HH1 ARG 6 -2.879 -1.176 -9.882
57 HH12 ARG 6 2HH1 ARG 6 -1.426 -1.091 -10.820
58 HH21 ARG 6 1HH2 ARG 6 -1.229 2.399 -10.730
59 HH22 ARG 6 2HH2 ARG 6 -0.488 0.943 -11.301
60 H HIS 7 H HIS 7 -5.797 0.259 -3.312
61 HA HIS 7 HA HIS 7 -8.379 -0.954 -3.557
62 HB2 HIS 7 2HB HIS 7 -6.274 -1.851 -2.335
63 HB3 HIS 7 3HB HIS 7 -6.805 -0.836 -0.998
64 HD1 HIS 7 HD1 HIS 7 -9.107 -2.854 -3.212
65 HD2 HIS 7 HD2 HIS 7 -7.665 -2.826 0.684
66 HE1 HIS 7 HE1 HIS 7 -10.437 -4.604 -1.991
67 H ALA 8 H ALA 8 -7.197 1.996 -2.275
68 HA ALA 8 HA ALA 8 -9.191 2.461 -0.309
69 HB1 ALA 8 1HB ALA 8 -7.114 3.687 -0.257
70 HB2 ALA 8 2HB ALA 8 -7.456 4.399 -1.834
71 HB3 ALA 8 3HB ALA 8 -8.456 4.816 -0.442
72 H PHE 9 H PHE 9 -9.116 2.762 -3.756
73 HA PHE 9 HA PHE 9 -11.148 4.658 -4.134
74 HB2 PHE 9 2HB PHE 9 -9.618 2.867 -5.759
75 HB3 PHE 9 3HB PHE 9 -11.313 2.734 -6.215
76 HD1 PHE 9 HD1 PHE 9 -12.466 5.246 -6.177
77 HD2 PHE 9 HD2 PHE 9 -8.421 4.286 -7.088
78 HE1 PHE 9 HE1 PHE 9 -12.275 7.316 -7.493
79 HE2 PHE 9 HE2 PHE 9 -8.223 6.354 -8.406
80 HZ PHE 9 HZ PHE 9 -10.151 7.873 -8.609
81 H ARG 10 H ARG 10 -11.252 1.293 -3.278
82 HA ARG 10 HA ARG 10 -13.972 0.825 -3.967
83 HB2 ARG 10 2HB ARG 10 -11.919 -0.788 -3.274
84 HB3 ARG 10 3HB ARG 10 -12.782 -0.725 -1.743
85 HG2 ARG 10 2HG ARG 10 -14.680 -1.732 -2.626
86 HG3 ARG 10 3HG ARG 10 -14.223 -1.353 -4.288
87 HD2 ARG 10 2HD ARG 10 -13.204 -3.316 -4.483
88 HD3 ARG 10 3HD ARG 10 -12.172 -2.941 -3.104
89 HE ARG 10 HE ARG 10 -14.542 -3.732 -1.999
90 HH11 ARG 10 1HH1 ARG 10 -12.264 -5.133 -4.228
91 HH12 ARG 10 2HH1 ARG 10 -12.601 -6.764 -3.750
92 HH21 ARG 10 1HH2 ARG 10 -14.994 -5.875 -1.361
93 HH22 ARG 10 2HH2 ARG 10 -14.154 -7.185 -2.119
94 H SER 11 H SER 11 -12.347 2.115 -1.156
95 HA SER 11 HA SER 11 -14.479 1.879 0.681
96 HB2 SER 11 2HB SER 11 -11.869 2.683 0.851
97 HB3 SER 11 3HB SER 11 -12.722 4.217 1.029
98 HG SER 11 HG SER 11 -13.207 1.870 2.554
99 H MET 12 H MET 12 -13.793 4.135 -1.866
100 HA MET 12 HA MET 12 -15.571 6.185 -0.955
101 HB2 MET 12 2HB MET 12 -14.360 5.673 -3.677
102 HB3 MET 12 3HB MET 12 -15.265 7.116 -3.242
103 HG2 MET 12 2HG MET 12 -13.570 7.535 -1.454
104 HG3 MET 12 3HG MET 12 -12.629 6.205 -2.124
105 HE1 MET 12 3HE MET 12 -11.973 9.554 -1.768
106 HE2 MET 12 1HE MET 12 -12.273 10.449 -3.259
107 HE3 MET 12 2HE MET 12 -13.628 9.855 -2.299
108 H PHE 13 H PHE 13 -15.894 3.270 -2.793
109 HA PHE 13 HA PHE 13 -18.331 3.911 -4.107
110 HB2 PHE 13 2HB PHE 13 -16.601 1.581 -3.817
111 HB3 PHE 13 3HB PHE 13 -18.308 1.152 -3.835
112 HD1 PHE 13 HD2 PHE 13 -16.319 3.731 -5.653
113 HD2 PHE 13 HD1 PHE 13 -18.883 0.344 -5.902
114 HE1 PHE 13 HE2 PHE 13 -16.338 3.931 -8.105
115 HE2 PHE 13 HE1 PHE 13 -18.906 0.537 -8.355
116 HZ PHE 13 HZ PHE 13 -17.634 2.333 -9.459
117 HA PRO 14 HA PRO 14 -21.332 3.195 -0.980
118 HB2 PRO 14 2HB PRO 14 -23.356 2.052 -2.378
119 HB3 PRO 14 3HB PRO 14 -22.913 3.754 -2.553
120 HG2 PRO 14 2HG PRO 14 -22.301 1.444 -4.327
121 HG3 PRO 14 3HG PRO 14 -22.632 3.134 -4.751
122 HD2 PRO 14 2HD PRO 14 -20.138 2.026 -4.709
123 HD3 PRO 14 3HD PRO 14 -20.511 3.757 -4.570
124 H SEP 15 H SEP 15 -20.055 0.491 -2.755
125 HA SEP 15 HA SEP 15 -21.521 -1.550 -1.295
126 HB2 SEP 15 2HB SEP 15 -19.078 -1.632 -3.182
127 HB3 SEP 15 3HB SEP 15 -19.537 -3.069 -2.303
128 H SER 16 H SER 16 -18.502 0.138 -0.878
129 HA SER 16 HA SER 16 -17.651 -1.441 1.366
130 HB2 SER 16 2HB SER 16 -16.660 1.050 0.023
131 HB3 SER 16 3HB SER 16 -16.042 0.615 1.616
132 HG SER 16 HG SER 16 -15.993 -1.032 -0.697
133 H GLU 17 H GLU 17 -19.583 1.396 0.877
134 HA GLU 17 HA GLU 17 -19.419 2.333 3.585
135 HB2 GLU 17 2HB GLU 17 -20.219 3.459 1.220
136 HB3 GLU 17 3HB GLU 17 -21.760 3.152 2.008
137 HG2 GLU 17 2HG GLU 17 -21.012 5.379 2.515
138 HG3 GLU 17 3HG GLU 17 -20.985 4.395 3.977
Start of MODEL 8
1 H1 ARG 1 H ARG 1 1.438 0.120 1.580
2 HA ARG 1 HA ARG 1 3.619 1.472 0.249
3 HB2 ARG 1 2HB ARG 1 2.750 -1.128 0.287
4 HB3 ARG 1 3HB ARG 1 2.149 -0.567 -1.268
5 HG2 ARG 1 2HG ARG 1 4.457 0.212 -1.798
6 HG3 ARG 1 3HG ARG 1 4.999 -0.561 -0.307
7 HD2 ARG 1 2HD ARG 1 3.704 -2.625 -1.361
8 HD3 ARG 1 3HD ARG 1 4.079 -1.771 -2.858
9 HE ARG 1 HE ARG 1 6.441 -1.865 -1.464
10 HH11 ARG 1 1HH1 ARG 1 4.155 -4.190 -2.684
11 HH12 ARG 1 2HH1 ARG 1 5.344 -5.426 -2.929
12 HH21 ARG 1 1HH2 ARG 1 8.017 -3.484 -1.782
13 HH22 ARG 1 2HH2 ARG 1 7.540 -5.024 -2.415
14 H SER 2 H SER 2 3.402 1.968 -2.127
15 HA SER 2 HA SER 2 1.235 3.815 -2.478
16 HB2 SER 2 2HB SER 2 2.386 3.960 -4.847
17 HB3 SER 2 3HB SER 2 3.174 4.647 -3.427
18 HG SER 2 HG SER 2 4.757 3.421 -4.133
19 H LYS 3 H LYS 3 1.945 0.576 -3.481
20 HA LYS 3 HA LYS 3 0.076 0.488 -5.647
21 HB2 LYS 3 2HB LYS 3 2.137 -1.121 -4.803
22 HB3 LYS 3 3HB LYS 3 0.723 -2.065 -4.352
23 HG2 LYS 3 2HG LYS 3 0.200 -1.167 -6.939
24 HG3 LYS 3 3HG LYS 3 1.899 -1.646 -6.943
25 HD2 LYS 3 2HD LYS 3 1.422 -3.843 -6.465
26 HD3 LYS 3 3HD LYS 3 -0.098 -3.448 -5.659
27 HE2 LYS 3 2HE LYS 3 -0.641 -2.618 -8.171
28 HE3 LYS 3 3HE LYS 3 0.471 -3.943 -8.508
29 HZ1 LYS 3 3HZ LYS 3 -1.295 -5.254 -8.290
30 HZ2 LYS 3 1HZ LYS 3 -2.240 -4.033 -7.598
31 HZ3 LYS 3 2HZ LYS 3 -1.212 -4.960 -6.626
32 H ASP 4 H ASP 4 -0.044 -0.141 -2.211
33 HA ASP 4 HA ASP 4 -2.571 -1.479 -2.247
34 HB2 ASP 4 2HB ASP 4 -0.574 -0.796 -0.294
35 HB3 ASP 4 3HB ASP 4 -2.164 -0.322 0.298
36 H LEU 5 H LEU 5 -1.571 1.798 -2.368
37 HA LEU 5 HA LEU 5 -3.730 3.100 -1.166
38 HB2 LEU 5 2HB LEU 5 -1.523 3.787 -2.882
39 HB3 LEU 5 3HB LEU 5 -2.977 4.655 -3.371
40 HG LEU 5 HG LEU 5 -1.676 6.015 -1.861
41 HD11 LEU 5 1HD1 LEU 5 -3.941 5.057 -0.167
42 HD12 LEU 5 2HD1 LEU 5 -4.262 5.807 -1.730
43 HD13 LEU 5 3HD1 LEU 5 -3.392 6.703 -0.485
44 HD21 LEU 5 3HD2 LEU 5 -1.169 3.553 -0.568
45 HD22 LEU 5 1HD2 LEU 5 -1.987 4.600 0.593
46 HD23 LEU 5 2HD2 LEU 5 -0.504 5.144 -0.192
47 H ARG 6 H ARG 6 -3.539 1.342 -4.110
48 HA ARG 6 HA ARG 6 -5.746 2.587 -5.432
49 HB2 ARG 6 2HB ARG 6 -3.809 0.592 -6.042
50 HB3 ARG 6 3HB ARG 6 -5.401 -0.100 -6.323
51 HG2 ARG 6 2HG ARG 6 -5.852 2.101 -7.616
52 HG3 ARG 6 3HG ARG 6 -4.092 2.230 -7.651
53 HD2 ARG 6 2HD ARG 6 -4.295 -0.286 -8.452
54 HD3 ARG 6 3HD ARG 6 -5.888 0.263 -8.971
55 HE ARG 6 HE ARG 6 -4.147 2.145 -9.930
56 HH11 ARG 6 1HH1 ARG 6 -4.498 -1.304 -10.247
57 HH12 ARG 6 2HH1 ARG 6 -3.821 -1.358 -11.841
58 HH21 ARG 6 1HH2 ARG 6 -3.254 2.087 -12.028
59 HH22 ARG 6 2HH2 ARG 6 -3.113 0.572 -12.853
60 H HIS 7 H HIS 7 -5.420 0.210 -2.969
61 HA HIS 7 HA HIS 7 -7.940 -1.081 -3.379
62 HB2 HIS 7 2HB HIS 7 -6.088 -1.006 -0.990
63 HB3 HIS 7 3HB HIS 7 -7.534 -2.006 -1.087
64 HD1 HIS 7 HD1 HIS 7 -4.482 -1.475 -3.314
65 HD2 HIS 7 HD2 HIS 7 -6.882 -4.515 -1.810
66 HE1 HIS 7 HE1 HIS 7 -3.501 -3.611 -4.208
67 H ALA 8 H ALA 8 -6.935 1.851 -1.920
68 HA ALA 8 HA ALA 8 -9.035 2.150 -0.031
69 HB1 ALA 8 1HB ALA 8 -6.929 3.424 0.069
70 HB2 ALA 8 2HB ALA 8 -7.412 4.302 -1.383
71 HB3 ALA 8 3HB ALA 8 -8.351 4.467 0.100
72 H PHE 9 H PHE 9 -8.805 2.618 -3.452
73 HA PHE 9 HA PHE 9 -10.804 4.483 -3.923
74 HB2 PHE 9 2HB PHE 9 -9.520 2.322 -5.466
75 HB3 PHE 9 3HB PHE 9 -11.117 2.794 -6.036
76 HD1 PHE 9 HD1 PHE 9 -11.523 5.040 -6.884
77 HD2 PHE 9 HD2 PHE 9 -7.645 3.808 -5.636
78 HE1 PHE 9 HE1 PHE 9 -10.539 6.973 -8.046
79 HE2 PHE 9 HE2 PHE 9 -6.655 5.739 -6.795
80 HZ PHE 9 HZ PHE 9 -8.102 7.325 -8.001
81 H ARG 10 H ARG 10 -11.041 1.099 -3.083
82 HA ARG 10 HA ARG 10 -13.752 0.708 -3.767
83 HB2 ARG 10 2HB ARG 10 -11.855 -0.676 -1.893
84 HB3 ARG 10 3HB ARG 10 -13.550 -1.141 -1.957
85 HG2 ARG 10 2HG ARG 10 -12.864 -1.135 -4.599
86 HG3 ARG 10 3HG ARG 10 -11.378 -1.690 -3.826
87 HD2 ARG 10 2HD ARG 10 -12.305 -3.636 -3.137
88 HD3 ARG 10 3HD ARG 10 -13.883 -2.904 -2.850
89 HE ARG 10 HE ARG 10 -13.423 -2.975 -5.611
90 HH11 ARG 10 1HH1 ARG 10 -13.987 -5.149 -2.951
91 HH12 ARG 10 2HH1 ARG 10 -14.738 -6.363 -3.932
92 HH21 ARG 10 1HH2 ARG 10 -14.409 -4.566 -6.913
93 HH22 ARG 10 2HH2 ARG 10 -14.977 -6.031 -6.186
94 H SER 11 H SER 11 -12.182 2.132 -1.002
95 HA SER 11 HA SER 11 -14.352 2.017 0.804
96 HB2 SER 11 2HB SER 11 -11.746 2.783 1.004
97 HB3 SER 11 3HB SER 11 -12.556 4.350 1.027
98 HG SER 11 HG SER 11 -12.759 2.209 2.834
99 H MET 12 H MET 12 -13.607 4.099 -1.867
100 HA MET 12 HA MET 12 -15.368 6.226 -1.114
101 HB2 MET 12 2HB MET 12 -13.347 6.260 -2.753
102 HB3 MET 12 3HB MET 12 -14.512 5.689 -3.940
103 HG2 MET 12 2HG MET 12 -15.741 7.851 -2.673
104 HG3 MET 12 3HG MET 12 -14.070 8.342 -2.937
105 HE1 MET 12 3HE MET 12 -17.196 9.036 -5.829
106 HE2 MET 12 1HE MET 12 -17.482 8.245 -4.278
107 HE3 MET 12 2HE MET 12 -16.642 9.795 -4.336
108 H PHE 13 H PHE 13 -15.707 3.201 -2.764
109 HA PHE 13 HA PHE 13 -18.122 3.785 -4.145
110 HB2 PHE 13 2HB PHE 13 -16.464 1.416 -3.617
111 HB3 PHE 13 3HB PHE 13 -18.184 1.071 -3.771
112 HD1 PHE 13 HD2 PHE 13 -15.916 3.469 -5.509
113 HD2 PHE 13 HD1 PHE 13 -18.608 0.189 -5.845
114 HE1 PHE 13 HE2 PHE 13 -15.710 3.555 -7.959
115 HE2 PHE 13 HE1 PHE 13 -18.405 0.269 -8.296
116 HZ PHE 13 HZ PHE 13 -16.955 1.954 -9.356
117 HA PRO 14 HA PRO 14 -21.162 3.302 -1.011
118 HB2 PRO 14 2HB PRO 14 -23.190 2.108 -2.356
119 HB3 PRO 14 3HB PRO 14 -22.715 3.787 -2.636
120 HG2 PRO 14 2HG PRO 14 -22.122 1.355 -4.248
121 HG3 PRO 14 3HG PRO 14 -22.431 3.016 -4.787
122 HD2 PRO 14 2HD PRO 14 -19.959 1.873 -4.641
123 HD3 PRO 14 3HD PRO 14 -20.280 3.619 -4.627
124 H SEP 15 H SEP 15 -19.905 0.477 -2.603
125 HA SEP 15 HA SEP 15 -21.417 -1.451 -1.041
126 HB2 SEP 15 2HB SEP 15 -18.802 -1.836 -2.678
127 HB3 SEP 15 3HB SEP 15 -19.726 -3.148 -1.991
128 H SER 16 H SER 16 -18.379 0.219 -0.689
129 HA SER 16 HA SER 16 -17.549 -1.236 1.637
130 HB2 SER 16 2HB SER 16 -16.013 -0.015 0.024
131 HB3 SER 16 3HB SER 16 -16.565 1.486 0.767
132 HG SER 16 HG SER 16 -15.046 -0.601 1.888
133 H GLU 17 H GLU 17 -19.515 1.550 1.013
134 HA GLU 17 HA GLU 17 -19.384 2.638 3.655
135 HB2 GLU 17 2HB GLU 17 -20.383 3.477 1.184
136 HB3 GLU 17 3HB GLU 17 -21.803 3.320 2.210
137 HG2 GLU 17 2HG GLU 17 -21.269 5.109 3.433
138 HG3 GLU 17 3HG GLU 17 -19.561 4.680 3.496
Start of MODEL 9
1 H1 ARG 1 H ARG 1 3.805 2.168 -0.358
2 HA ARG 1 HA ARG 1 3.154 -0.314 -1.765
3 HB2 ARG 1 2HB ARG 1 1.693 0.772 0.640
4 HB3 ARG 1 3HB ARG 1 0.968 -0.378 -0.475
5 HG2 ARG 1 2HG ARG 1 1.903 -2.045 0.635
6 HG3 ARG 1 3HG ARG 1 3.503 -1.389 0.284
7 HD2 ARG 1 2HD ARG 1 3.304 0.074 2.259
8 HD3 ARG 1 3HD ARG 1 1.741 -0.657 2.620
9 HE ARG 1 HE ARG 1 4.329 -1.769 3.144
10 HH11 ARG 1 1HH1 ARG 1 0.990 -2.520 2.508
11 HH12 ARG 1 2HH1 ARG 1 1.050 -4.061 3.298
12 HH21 ARG 1 1HH2 ARG 1 4.421 -3.796 4.187
13 HH22 ARG 1 2HH2 ARG 1 3.002 -4.786 4.253
14 H SER 2 H SER 2 3.253 1.152 -3.590
15 HA SER 2 HA SER 2 1.202 3.208 -3.749
16 HB2 SER 2 2HB SER 2 2.197 3.646 -6.003
17 HB3 SER 2 3HB SER 2 3.361 3.770 -4.683
18 HG SER 2 HG SER 2 4.471 2.334 -5.722
19 H LYS 3 H LYS 3 1.801 -0.033 -4.844
20 HA LYS 3 HA LYS 3 -0.184 -0.059 -6.900
21 HB2 LYS 3 2HB LYS 3 1.021 -2.397 -5.409
22 HB3 LYS 3 3HB LYS 3 0.170 -2.464 -6.947
23 HG2 LYS 3 2HG LYS 3 2.158 -0.652 -7.455
24 HG3 LYS 3 3HG LYS 3 2.946 -1.797 -6.366
25 HD2 LYS 3 2HD LYS 3 1.329 -2.766 -8.695
26 HD3 LYS 3 3HD LYS 3 3.001 -2.244 -8.916
27 HE2 LYS 3 2HE LYS 3 3.814 -4.103 -7.976
28 HE3 LYS 3 3HE LYS 3 2.657 -4.039 -6.648
29 HZ1 LYS 3 3HZ LYS 3 1.937 -5.910 -7.670
30 HZ2 LYS 3 1HZ LYS 3 2.478 -5.439 -9.202
31 HZ3 LYS 3 2HZ LYS 3 1.043 -4.798 -8.577
32 H ASP 4 H ASP 4 -0.148 -0.721 -3.468
33 HA ASP 4 HA ASP 4 -2.759 -1.932 -3.440
34 HB2 ASP 4 2HB ASP 4 -0.591 -1.586 -1.589
35 HB3 ASP 4 3HB ASP 4 -2.087 -1.027 -0.845
36 H LEU 5 H LEU 5 -1.504 1.257 -3.364
37 HA LEU 5 HA LEU 5 -3.467 2.611 -1.911
38 HB2 LEU 5 2HB LEU 5 -1.214 3.369 -3.102
39 HB3 LEU 5 3HB LEU 5 -2.350 3.893 -4.344
40 HG LEU 5 HG LEU 5 -3.518 5.237 -2.576
41 HD11 LEU 5 1HD1 LEU 5 -3.007 4.696 -0.471
42 HD12 LEU 5 2HD1 LEU 5 -1.562 5.678 -0.714
43 HD13 LEU 5 3HD1 LEU 5 -1.488 3.930 -0.938
44 HD21 LEU 5 3HD2 LEU 5 -0.787 6.303 -2.549
45 HD22 LEU 5 1HD2 LEU 5 -2.281 7.014 -3.161
46 HD23 LEU 5 2HD2 LEU 5 -1.387 5.856 -4.147
47 H ARG 6 H ARG 6 -3.611 1.105 -4.994
48 HA ARG 6 HA ARG 6 -5.789 2.625 -6.050
49 HB2 ARG 6 2HB ARG 6 -4.264 1.400 -7.520
50 HB3 ARG 6 3HB ARG 6 -4.766 -0.121 -6.794
51 HG2 ARG 6 2HG ARG 6 -6.973 0.104 -7.695
52 HG3 ARG 6 3HG ARG 6 -6.616 1.732 -8.275
53 HD2 ARG 6 2HD ARG 6 -5.004 0.872 -9.843
54 HD3 ARG 6 3HD ARG 6 -5.181 -0.756 -9.189
55 HE ARG 6 HE ARG 6 -6.904 0.546 -11.075
56 HH11 ARG 6 1HH1 ARG 6 -6.728 -1.883 -8.588
57 HH12 ARG 6 2HH1 ARG 6 -8.071 -2.792 -9.198
58 HH21 ARG 6 1HH2 ARG 6 -8.672 -0.642 -11.889
59 HH22 ARG 6 2HH2 ARG 6 -9.175 -2.086 -11.077
60 H HIS 7 H HIS 7 -5.500 0.024 -3.820
61 HA HIS 7 HA HIS 7 -8.143 -1.026 -4.154
62 HB2 HIS 7 2HB HIS 7 -6.073 -1.337 -1.978
63 HB3 HIS 7 3HB HIS 7 -7.643 -2.133 -1.925
64 HD1 HIS 7 HD1 HIS 7 -5.075 -1.814 -4.724
65 HD2 HIS 7 HD2 HIS 7 -7.219 -4.698 -2.639
66 HE1 HIS 7 HE1 HIS 7 -4.462 -4.008 -5.789
67 H ALA 8 H ALA 8 -6.792 1.668 -2.523
68 HA ALA 8 HA ALA 8 -8.718 1.956 -0.459
69 HB1 ALA 8 1HB ALA 8 -6.470 3.053 -0.515
70 HB2 ALA 8 2HB ALA 8 -7.107 4.157 -1.735
71 HB3 ALA 8 3HB ALA 8 -7.807 4.133 -0.117
72 H PHE 9 H PHE 9 -8.702 2.715 -3.836
73 HA PHE 9 HA PHE 9 -10.626 4.741 -3.928
74 HB2 PHE 9 2HB PHE 9 -9.140 3.417 -5.790
75 HB3 PHE 9 3HB PHE 9 -10.743 2.765 -6.112
76 HD1 PHE 9 HD1 PHE 9 -12.555 4.228 -6.850
77 HD2 PHE 9 HD2 PHE 9 -8.605 5.700 -6.258
78 HE1 PHE 9 HE1 PHE 9 -13.119 6.249 -8.135
79 HE2 PHE 9 HE2 PHE 9 -9.164 7.724 -7.541
80 HZ PHE 9 HZ PHE 9 -11.423 8.001 -8.481
81 H ARG 10 H ARG 10 -10.935 1.309 -3.457
82 HA ARG 10 HA ARG 10 -13.697 1.092 -4.074
83 HB2 ARG 10 2HB ARG 10 -11.599 -0.619 -3.014
84 HB3 ARG 10 3HB ARG 10 -13.137 -0.897 -2.209
85 HG2 ARG 10 2HG ARG 10 -14.054 -0.956 -4.665
86 HG3 ARG 10 3HG ARG 10 -12.374 -1.338 -5.049
87 HD2 ARG 10 2HD ARG 10 -13.803 -2.819 -2.877
88 HD3 ARG 10 3HD ARG 10 -14.053 -3.261 -4.566
89 HE ARG 10 HE ARG 10 -11.760 -3.824 -2.971
90 HH11 ARG 10 1HH1 ARG 10 -12.806 -3.125 -6.217
91 HH12 ARG 10 2HH1 ARG 10 -11.475 -3.945 -6.962
92 HH21 ARG 10 1HH2 ARG 10 -10.002 -4.908 -3.941
93 HH22 ARG 10 2HH2 ARG 10 -9.881 -4.960 -5.667
94 H SER 11 H SER 11 -11.923 2.076 -1.249
95 HA SER 11 HA SER 11 -13.956 1.742 0.676
96 HB2 SER 11 2HB SER 11 -11.585 2.118 1.259
97 HB3 SER 11 3HB SER 11 -11.704 3.767 0.646
98 HG SER 11 HG SER 11 -12.080 3.971 2.777
99 H MET 12 H MET 12 -13.377 4.172 -1.735
100 HA MET 12 HA MET 12 -15.080 6.165 -0.586
101 HB2 MET 12 2HB MET 12 -13.169 6.462 -2.309
102 HB3 MET 12 3HB MET 12 -14.378 6.012 -3.503
103 HG2 MET 12 2HG MET 12 -15.639 7.919 -3.138
104 HG3 MET 12 3HG MET 12 -14.921 8.208 -1.555
105 HE1 MET 12 3HE MET 12 -14.074 11.294 -2.906
106 HE2 MET 12 1HE MET 12 -14.504 10.266 -1.539
107 HE3 MET 12 2HE MET 12 -12.820 10.714 -1.810
108 H PHE 13 H PHE 13 -15.533 3.393 -2.608
109 HA PHE 13 HA PHE 13 -18.026 4.149 -3.746
110 HB2 PHE 13 2HB PHE 13 -16.335 1.757 -3.672
111 HB3 PHE 13 3HB PHE 13 -18.058 1.397 -3.712
112 HD1 PHE 13 HD2 PHE 13 -15.875 3.951 -5.342
113 HD2 PHE 13 HD1 PHE 13 -18.775 0.872 -5.818
114 HE1 PHE 13 HE2 PHE 13 -15.898 4.353 -7.769
115 HE2 PHE 13 HE1 PHE 13 -18.801 1.268 -8.247
116 HZ PHE 13 HZ PHE 13 -17.362 3.011 -9.225
117 HA PRO 14 HA PRO 14 -20.872 3.238 -0.525
118 HB2 PRO 14 2HB PRO 14 -22.982 2.223 -1.893
119 HB3 PRO 14 3HB PRO 14 -22.520 3.928 -1.972
120 HG2 PRO 14 2HG PRO 14 -22.030 1.739 -3.930
121 HG3 PRO 14 3HG PRO 14 -22.371 3.455 -4.220
122 HD2 PRO 14 2HD PRO 14 -19.891 2.324 -4.384
123 HD3 PRO 14 3HD PRO 14 -20.221 4.047 -4.108
124 H SEP 15 H SEP 15 -19.710 0.661 -2.545
125 HA SEP 15 HA SEP 15 -21.136 -1.470 -1.177
126 HB2 SEP 15 2HB SEP 15 -20.234 -2.829 -2.849
127 HB3 SEP 15 3HB SEP 15 -19.704 -1.338 -3.586
128 H SER 16 H SER 16 -18.084 0.160 -0.767
129 HA SER 16 HA SER 16 -17.119 -1.586 1.287
130 HB2 SER 16 2HB SER 16 -15.534 -0.321 -0.051
131 HB3 SER 16 3HB SER 16 -16.258 1.200 0.470
132 HG SER 16 HG SER 16 -15.239 1.062 2.321
133 H GLU 17 H GLU 17 -19.051 1.316 1.174
134 HA GLU 17 HA GLU 17 -18.907 1.691 4.055
135 HB2 GLU 17 2HB GLU 17 -19.441 3.369 1.841
136 HB3 GLU 17 3HB GLU 17 -20.911 3.321 2.804
137 HG2 GLU 17 2HG GLU 17 -19.106 3.693 4.753
138 HG3 GLU 17 3HG GLU 17 -18.280 4.492 3.416
Start of MODEL 10
1 H1 ARG 1 H ARG 1 1.581 -0.737 0.647
2 HA ARG 1 HA ARG 1 3.567 0.271 -1.119
3 HB2 ARG 1 2HB ARG 1 1.327 -1.711 -1.549
4 HB3 ARG 1 3HB ARG 1 2.569 -1.358 -2.743
5 HG2 ARG 1 2HG ARG 1 3.273 -2.284 0.018
6 HG3 ARG 1 3HG ARG 1 2.868 -3.422 -1.269
7 HD2 ARG 1 2HD ARG 1 4.712 -2.783 -2.567
8 HD3 ARG 1 3HD ARG 1 4.952 -1.297 -1.648
9 HE ARG 1 HE ARG 1 5.276 -3.603 -0.012
10 HH11 ARG 1 1HH1 ARG 1 6.863 -1.648 -2.417
11 HH12 ARG 1 2HH1 ARG 1 8.460 -2.062 -1.888
12 HH21 ARG 1 1HH2 ARG 1 7.373 -4.156 0.693
13 HH22 ARG 1 2HH2 ARG 1 8.749 -3.490 -0.119
14 H SER 2 H SER 2 3.087 0.893 -3.401
15 HA SER 2 HA SER 2 1.167 3.054 -3.399
16 HB2 SER 2 2HB SER 2 2.633 2.362 -5.888
17 HB3 SER 2 3HB SER 2 2.367 3.934 -5.135
18 HG SER 2 HG SER 2 4.532 2.434 -5.016
19 H LYS 3 H LYS 3 1.432 -0.159 -4.678
20 HA LYS 3 HA LYS 3 -0.615 0.116 -6.660
21 HB2 LYS 3 2HB LYS 3 -0.521 -2.379 -6.722
22 HB3 LYS 3 3HB LYS 3 1.038 -1.600 -6.961
23 HG2 LYS 3 2HG LYS 3 1.882 -2.807 -5.314
24 HG3 LYS 3 3HG LYS 3 0.744 -2.063 -4.188
25 HD2 LYS 3 2HD LYS 3 -0.700 -3.829 -4.266
26 HD3 LYS 3 3HD LYS 3 -0.262 -4.255 -5.922
27 HE2 LYS 3 2HE LYS 3 2.070 -4.746 -4.650
28 HE3 LYS 3 3HE LYS 3 0.923 -5.108 -3.362
29 HZ1 LYS 3 3HZ LYS 3 -0.251 -6.485 -5.171
30 HZ2 LYS 3 1HZ LYS 3 1.141 -7.116 -4.447
31 HZ3 LYS 3 2HZ LYS 3 1.231 -6.416 -5.983
32 H ASP 4 H ASP 4 -0.526 -0.618 -3.268
33 HA ASP 4 HA ASP 4 -3.138 -1.781 -3.131
34 HB2 ASP 4 2HB ASP 4 -0.951 -1.283 -1.326
35 HB3 ASP 4 3HB ASP 4 -2.459 -0.732 -0.602
36 H LEU 5 H LEU 5 -1.910 1.417 -3.265
37 HA LEU 5 HA LEU 5 -3.865 2.841 -1.868
38 HB2 LEU 5 2HB LEU 5 -2.133 3.527 -4.219
39 HB3 LEU 5 3HB LEU 5 -3.286 4.684 -3.557
40 HG LEU 5 HG LEU 5 -1.030 3.434 -1.991
41 HD11 LEU 5 1HD1 LEU 5 -0.049 5.742 -2.157
42 HD12 LEU 5 2HD1 LEU 5 -1.228 6.071 -3.426
43 HD13 LEU 5 3HD1 LEU 5 -0.025 4.800 -3.647
44 HD21 LEU 5 3HD2 LEU 5 -2.105 5.943 -1.042
45 HD22 LEU 5 1HD2 LEU 5 -1.887 4.415 -0.189
46 HD23 LEU 5 2HD2 LEU 5 -3.352 4.697 -1.130
47 H ARG 6 H ARG 6 -4.038 1.150 -4.852
48 HA ARG 6 HA ARG 6 -6.243 2.586 -5.967
49 HB2 ARG 6 2HB ARG 6 -4.557 0.368 -6.717
50 HB3 ARG 6 3HB ARG 6 -6.246 -0.027 -7.009
51 HG2 ARG 6 2HG ARG 6 -6.401 1.382 -8.737
52 HG3 ARG 6 3HG ARG 6 -5.478 2.643 -7.916
53 HD2 ARG 6 2HD ARG 6 -3.878 0.316 -8.658
54 HD3 ARG 6 3HD ARG 6 -4.605 1.137 -10.038
55 HE ARG 6 HE ARG 6 -3.367 2.977 -8.253
56 HH11 ARG 6 1HH1 ARG 6 -2.713 0.668 -10.775
57 HH12 ARG 6 2HH1 ARG 6 -1.245 1.439 -11.279
58 HH21 ARG 6 1HH2 ARG 6 -1.437 4.001 -8.908
59 HH22 ARG 6 2HH2 ARG 6 -0.520 3.334 -10.216
60 H HIS 7 H HIS 7 -5.902 0.128 -3.588
61 HA HIS 7 HA HIS 7 -8.538 -0.963 -3.820
62 HB2 HIS 7 2HB HIS 7 -6.335 -1.910 -2.671
63 HB3 HIS 7 3HB HIS 7 -7.023 -1.122 -1.255
64 HD1 HIS 7 HD1 HIS 7 -8.872 -2.326 -0.061
65 HD2 HIS 7 HD2 HIS 7 -8.025 -3.984 -3.775
66 HE1 HIS 7 HE1 HIS 7 -10.206 -4.455 -0.167
67 H ALA 8 H ALA 8 -7.194 1.840 -2.379
68 HA ALA 8 HA ALA 8 -9.090 2.242 -0.308
69 HB1 ALA 8 1HB ALA 8 -8.176 4.405 -0.077
70 HB2 ALA 8 2HB ALA 8 -6.834 3.363 -0.550
71 HB3 ALA 8 3HB ALA 8 -7.592 4.420 -1.741
72 H PHE 9 H PHE 9 -9.143 2.780 -3.729
73 HA PHE 9 HA PHE 9 -11.114 4.761 -3.901
74 HB2 PHE 9 2HB PHE 9 -9.682 3.120 -5.696
75 HB3 PHE 9 3HB PHE 9 -11.389 2.867 -6.049
76 HD1 PHE 9 HD1 PHE 9 -12.780 5.177 -6.035
77 HD2 PHE 9 HD2 PHE 9 -8.630 4.762 -6.885
78 HE1 PHE 9 HE1 PHE 9 -12.831 7.287 -7.300
79 HE2 PHE 9 HE2 PHE 9 -8.675 6.871 -8.151
80 HZ PHE 9 HZ PHE 9 -10.777 8.137 -8.359
81 H ARG 10 H ARG 10 -11.323 1.365 -3.216
82 HA ARG 10 HA ARG 10 -14.061 0.991 -3.829
83 HB2 ARG 10 2HB ARG 10 -12.066 -0.478 -2.139
84 HB3 ARG 10 3HB ARG 10 -13.764 -0.932 -2.089
85 HG2 ARG 10 2HG ARG 10 -13.769 -1.666 -4.280
86 HG3 ARG 10 3HG ARG 10 -12.350 -0.709 -4.710
87 HD2 ARG 10 2HD ARG 10 -11.508 -2.437 -2.677
88 HD3 ARG 10 3HD ARG 10 -12.513 -3.417 -3.744
89 HE ARG 10 HE ARG 10 -9.916 -2.376 -4.310
90 HH11 ARG 10 1HH1 ARG 10 -12.958 -3.273 -5.745
91 HH12 ARG 10 2HH1 ARG 10 -12.276 -3.600 -7.303
92 HH21 ARG 10 1HH2 ARG 10 -9.005 -2.804 -6.356
93 HH22 ARG 10 2HH2 ARG 10 -10.027 -3.335 -7.650
94 H SER 11 H SER 11 -12.391 2.349 -1.105
95 HA SER 11 HA SER 11 -14.418 2.102 0.835
96 HB2 SER 11 2HB SER 11 -11.966 2.782 1.169
97 HB3 SER 11 3HB SER 11 -12.476 4.405 0.704
98 HG SER 11 HG SER 11 -12.654 4.320 2.894
99 H MET 12 H MET 12 -13.969 4.295 -1.822
100 HA MET 12 HA MET 12 -15.820 6.275 -0.904
101 HB2 MET 12 2HB MET 12 -13.913 6.542 -2.621
102 HB3 MET 12 3HB MET 12 -15.043 5.853 -3.778
103 HG2 MET 12 2HG MET 12 -16.388 7.692 -3.778
104 HG3 MET 12 3HG MET 12 -15.955 8.145 -2.131
105 HE1 MET 12 3HE MET 12 -15.991 10.146 -5.039
106 HE2 MET 12 1HE MET 12 -14.466 9.932 -5.899
107 HE3 MET 12 2HE MET 12 -15.584 8.577 -5.736
108 H PHE 13 H PHE 13 -16.056 3.280 -2.619
109 HA PHE 13 HA PHE 13 -18.574 3.738 -3.855
110 HB2 PHE 13 2HB PHE 13 -16.758 1.452 -3.453
111 HB3 PHE 13 3HB PHE 13 -18.462 1.027 -3.579
112 HD1 PHE 13 HD2 PHE 13 -16.013 3.267 -5.290
113 HD2 PHE 13 HD1 PHE 13 -19.240 0.517 -5.668
114 HE1 PHE 13 HE2 PHE 13 -15.872 3.442 -7.740
115 HE2 PHE 13 HE1 PHE 13 -19.103 0.687 -8.119
116 HZ PHE 13 HZ PHE 13 -17.418 2.151 -9.158
117 HA PRO 14 HA PRO 14 -21.403 2.985 -0.579
118 HB2 PRO 14 2HB PRO 14 -23.422 1.697 -1.849
119 HB3 PRO 14 3HB PRO 14 -23.069 3.410 -2.105
120 HG2 PRO 14 2HG PRO 14 -22.412 1.063 -3.815
121 HG3 PRO 14 3HG PRO 14 -22.855 2.713 -4.289
122 HD2 PRO 14 2HD PRO 14 -20.304 1.732 -4.308
123 HD3 PRO 14 3HD PRO 14 -20.750 3.448 -4.224
124 H SEP 15 H SEP 15 -20.054 0.289 -2.309
125 HA SEP 15 HA SEP 15 -21.358 -1.772 -0.729
126 HB2 SEP 15 2HB SEP 15 -20.596 -2.853 -2.658
127 HB3 SEP 15 3HB SEP 15 -19.331 -1.685 -2.946
128 H SER 16 H SER 16 -18.420 0.084 -0.480
129 HA SER 16 HA SER 16 -17.302 -1.364 1.698
130 HB2 SER 16 2HB SER 16 -15.913 0.051 0.260
131 HB3 SER 16 3HB SER 16 -16.800 1.481 0.787
132 HG SER 16 HG SER 16 -15.532 1.560 2.447
133 H GLU 17 H GLU 17 -19.674 1.149 1.426
134 HA GLU 17 HA GLU 17 -19.547 1.863 4.229
135 HB2 GLU 17 2HB GLU 17 -20.844 2.901 1.825
136 HB3 GLU 17 3HB GLU 17 -21.893 2.933 3.235
137 HG2 GLU 17 2HG GLU 17 -19.600 3.936 4.273
138 HG3 GLU 17 3HG GLU 17 -19.514 4.526 2.614
Start of MODEL 11
1 H1 ARG 1 H ARG 1 4.707 0.090 -2.317
2 HA ARG 1 HA ARG 1 2.889 -1.472 -2.600
3 HB2 ARG 1 2HB ARG 1 0.967 -1.245 -0.945
4 HB3 ARG 1 3HB ARG 1 2.440 -1.992 -0.342
5 HG2 ARG 1 2HG ARG 1 3.077 0.063 0.757
6 HG3 ARG 1 3HG ARG 1 1.672 0.888 0.080
7 HD2 ARG 1 2HD ARG 1 0.184 -0.565 1.323
8 HD3 ARG 1 3HD ARG 1 1.556 -1.487 1.936
9 HE ARG 1 HE ARG 1 0.566 0.991 2.947
10 HH11 ARG 1 1HH1 ARG 1 3.443 -0.925 2.534
11 HH12 ARG 1 2HH1 ARG 1 4.270 -0.207 3.877
12 HH21 ARG 1 1HH2 ARG 1 1.645 1.944 4.716
13 HH22 ARG 1 2HH2 ARG 1 3.246 1.424 5.118
14 H SER 2 H SER 2 3.429 0.745 -3.973
15 HA SER 2 HA SER 2 1.412 2.750 -3.839
16 HB2 SER 2 2HB SER 2 3.566 3.274 -4.822
17 HB3 SER 2 3HB SER 2 3.351 2.023 -6.047
18 HG SER 2 HG SER 2 2.199 4.551 -5.855
19 H LYS 3 H LYS 3 1.692 -0.325 -5.428
20 HA LYS 3 HA LYS 3 -0.415 0.104 -7.317
21 HB2 LYS 3 2HB LYS 3 -0.283 -2.378 -7.616
22 HB3 LYS 3 3HB LYS 3 1.246 -1.540 -7.843
23 HG2 LYS 3 2HG LYS 3 2.176 -2.430 -5.955
24 HG3 LYS 3 3HG LYS 3 0.618 -2.637 -5.152
25 HD2 LYS 3 2HD LYS 3 0.732 -4.789 -5.722
26 HD3 LYS 3 3HD LYS 3 0.466 -4.277 -7.390
27 HE2 LYS 3 2HE LYS 3 3.063 -3.869 -7.331
28 HE3 LYS 3 3HE LYS 3 2.998 -5.032 -6.008
29 HZ1 LYS 3 3HZ LYS 3 1.700 -5.620 -8.590
30 HZ2 LYS 3 1HZ LYS 3 2.234 -6.697 -7.399
31 HZ3 LYS 3 2HZ LYS 3 3.356 -5.894 -8.378
32 H ASP 4 H ASP 4 -0.211 -0.987 -4.023
33 HA ASP 4 HA ASP 4 -2.808 -2.190 -3.937
34 HB2 ASP 4 2HB ASP 4 -0.570 -1.863 -2.152
35 HB3 ASP 4 3HB ASP 4 -2.064 -1.423 -1.329
36 H LEU 5 H LEU 5 -1.612 1.018 -3.752
37 HA LEU 5 HA LEU 5 -3.536 2.254 -2.148
38 HB2 LEU 5 2HB LEU 5 -1.361 3.074 -3.584
39 HB3 LEU 5 3HB LEU 5 -2.689 3.800 -4.486
40 HG LEU 5 HG LEU 5 -3.452 4.777 -2.258
41 HD11 LEU 5 1HD1 LEU 5 -1.565 5.091 -0.634
42 HD12 LEU 5 2HD1 LEU 5 -0.695 3.831 -1.509
43 HD13 LEU 5 3HD1 LEU 5 -2.224 3.457 -0.713
44 HD21 LEU 5 3HD2 LEU 5 -0.797 5.919 -2.889
45 HD22 LEU 5 1HD2 LEU 5 -2.373 6.701 -2.770
46 HD23 LEU 5 2HD2 LEU 5 -1.947 5.792 -4.220
47 H ARG 6 H ARG 6 -3.786 0.902 -5.295
48 HA ARG 6 HA ARG 6 -6.037 2.426 -6.177
49 HB2 ARG 6 2HB ARG 6 -4.637 -0.046 -7.110
50 HB3 ARG 6 3HB ARG 6 -6.238 0.315 -7.743
51 HG2 ARG 6 2HG ARG 6 -5.480 2.417 -8.620
52 HG3 ARG 6 3HG ARG 6 -3.902 2.209 -7.856
53 HD2 ARG 6 2HD ARG 6 -3.541 0.192 -9.239
54 HD3 ARG 6 3HD ARG 6 -5.081 0.497 -10.042
55 HE ARG 6 HE ARG 6 -3.347 2.754 -10.183
56 HH11 ARG 6 1HH1 ARG 6 -3.992 -0.369 -11.582
57 HH12 ARG 6 2HH1 ARG 6 -3.291 0.029 -13.116
58 HH21 ARG 6 1HH2 ARG 6 -2.422 3.289 -12.198
59 HH22 ARG 6 2HH2 ARG 6 -2.398 2.110 -13.465
60 H HIS 7 H HIS 7 -5.600 -0.277 -4.098
61 HA HIS 7 HA HIS 7 -8.231 -1.370 -4.372
62 HB2 HIS 7 2HB HIS 7 -5.990 -2.414 -3.404
63 HB3 HIS 7 3HB HIS 7 -6.631 -1.787 -1.888
64 HD1 HIS 7 HD1 HIS 7 -8.361 -3.174 -0.739
65 HD2 HIS 7 HD2 HIS 7 -7.776 -4.327 -4.687
66 HE1 HIS 7 HE1 HIS 7 -9.704 -5.280 -1.030
67 H ALA 8 H ALA 8 -6.873 1.275 -2.669
68 HA ALA 8 HA ALA 8 -8.703 1.423 -0.510
69 HB1 ALA 8 1HB ALA 8 -6.411 2.705 -1.096
70 HB2 ALA 8 2HB ALA 8 -7.582 3.949 -1.535
71 HB3 ALA 8 3HB ALA 8 -7.576 3.280 0.097
72 H PHE 9 H PHE 9 -8.876 2.338 -3.848
73 HA PHE 9 HA PHE 9 -10.836 4.306 -3.794
74 HB2 PHE 9 2HB PHE 9 -9.500 2.887 -5.760
75 HB3 PHE 9 3HB PHE 9 -11.181 2.421 -5.997
76 HD1 PHE 9 HD2 PHE 9 -8.875 5.299 -5.833
77 HD2 PHE 9 HD1 PHE 9 -12.739 3.907 -6.951
78 HE1 PHE 9 HE2 PHE 9 -9.287 7.411 -7.025
79 HE2 PHE 9 HE1 PHE 9 -13.156 6.017 -8.147
80 HZ PHE 9 HZ PHE 9 -11.430 7.772 -8.184
81 H ARG 10 H ARG 10 -11.097 0.852 -3.386
82 HA ARG 10 HA ARG 10 -13.874 0.594 -3.811
83 HB2 ARG 10 2HB ARG 10 -12.143 -1.081 -1.986
84 HB3 ARG 10 3HB ARG 10 -13.679 -1.548 -2.703
85 HG2 ARG 10 2HG ARG 10 -12.388 -1.056 -4.948
86 HG3 ARG 10 3HG ARG 10 -10.982 -1.377 -3.931
87 HD2 ARG 10 2HD ARG 10 -11.335 -3.541 -4.321
88 HD3 ARG 10 3HD ARG 10 -12.758 -3.404 -3.289
89 HE ARG 10 HE ARG 10 -13.482 -2.606 -5.862
90 HH11 ARG 10 1HH1 ARG 10 -12.445 -5.478 -4.189
91 HH12 ARG 10 2HH1 ARG 10 -13.292 -6.558 -5.247
92 HH21 ARG 10 1HH2 ARG 10 -14.601 -4.017 -7.262
93 HH22 ARG 10 2HH2 ARG 10 -14.517 -5.726 -6.995
94 H SER 11 H SER 11 -11.994 1.699 -1.108
95 HA SER 11 HA SER 11 -14.050 1.421 0.856
96 HB2 SER 11 2HB SER 11 -11.655 1.524 1.458
97 HB3 SER 11 3HB SER 11 -11.592 3.191 0.885
98 HG SER 11 HG SER 11 -12.603 3.843 2.631
99 H MET 12 H MET 12 -13.216 3.812 -1.512
100 HA MET 12 HA MET 12 -14.678 5.965 -0.321
101 HB2 MET 12 2HB MET 12 -12.790 6.263 -1.935
102 HB3 MET 12 3HB MET 12 -13.837 5.645 -3.206
103 HG2 MET 12 2HG MET 12 -14.749 7.635 -3.507
104 HG3 MET 12 3HG MET 12 -15.151 7.765 -1.796
105 HE1 MET 12 3HE MET 12 -14.157 9.425 -0.253
106 HE2 MET 12 1HE MET 12 -12.904 8.205 -0.023
107 HE3 MET 12 2HE MET 12 -12.456 9.894 -0.262
108 H PHE 13 H PHE 13 -15.454 3.289 -2.374
109 HA PHE 13 HA PHE 13 -17.856 4.333 -3.479
110 HB2 PHE 13 2HB PHE 13 -16.497 1.711 -3.376
111 HB3 PHE 13 3HB PHE 13 -18.247 1.649 -3.559
112 HD1 PHE 13 HD2 PHE 13 -15.592 3.889 -4.925
113 HD2 PHE 13 HD1 PHE 13 -18.822 1.237 -5.736
114 HE1 PHE 13 HE2 PHE 13 -15.351 4.337 -7.332
115 HE2 PHE 13 HE1 PHE 13 -18.585 1.681 -8.145
116 HZ PHE 13 HZ PHE 13 -16.849 3.234 -8.946
117 HA PRO 14 HA PRO 14 -20.758 3.699 -0.241
118 HB2 PRO 14 2HB PRO 14 -22.981 2.954 -1.602
119 HB3 PRO 14 3HB PRO 14 -22.329 4.596 -1.661
120 HG2 PRO 14 2HG PRO 14 -22.115 2.399 -3.658
121 HG3 PRO 14 3HG PRO 14 -22.248 4.149 -3.917
122 HD2 PRO 14 2HD PRO 14 -19.927 2.730 -4.120
123 HD3 PRO 14 3HD PRO 14 -20.042 4.477 -3.825
124 H SEP 15 H SEP 15 -19.911 1.040 -2.309
125 HA SEP 15 HA SEP 15 -21.561 -0.937 -0.962
126 HB2 SEP 15 2HB SEP 15 -20.522 -1.109 -3.388
127 HB3 SEP 15 3HB SEP 15 -19.018 -1.557 -2.624
128 H SER 16 H SER 16 -18.341 0.328 -0.552
129 HA SER 16 HA SER 16 -17.541 -1.548 1.447
130 HB2 SER 16 2HB SER 16 -15.694 0.109 1.865
131 HB3 SER 16 3HB SER 16 -15.826 -0.423 0.189
132 HG SER 16 HG SER 16 -17.178 1.891 1.033
133 H GLU 17 H GLU 17 -19.310 1.434 1.443
134 HA GLU 17 HA GLU 17 -19.022 1.870 4.287
135 HB2 GLU 17 2HB GLU 17 -20.134 3.327 2.005
136 HB3 GLU 17 3HB GLU 17 -21.113 3.464 3.459
137 HG2 GLU 17 2HG GLU 17 -19.699 5.257 3.671
138 HG3 GLU 17 3HG GLU 17 -18.862 4.026 4.615
Start of MODEL 12
1 H1 ARG 1 H ARG 1 3.574 0.648 1.472
2 HA ARG 1 HA ARG 1 4.055 0.664 -0.771
3 HB2 ARG 1 2HB ARG 1 1.969 -1.469 -0.416
4 HB3 ARG 1 3HB ARG 1 2.689 -1.167 -1.992
5 HG2 ARG 1 2HG ARG 1 4.915 -1.586 -1.029
6 HG3 ARG 1 3HG ARG 1 4.151 -1.958 0.518
7 HD2 ARG 1 2HD ARG 1 2.754 -3.597 -1.085
8 HD3 ARG 1 3HD ARG 1 4.274 -3.539 -1.976
9 HE ARG 1 HE ARG 1 3.783 -4.913 0.462
10 HH11 ARG 1 1HH1 ARG 1 6.223 -3.145 -1.283
11 HH12 ARG 1 2HH1 ARG 1 7.546 -3.950 -0.507
12 HH21 ARG 1 1HH2 ARG 1 5.517 -5.979 1.491
13 HH22 ARG 1 2HH2 ARG 1 7.144 -5.562 1.070
14 H SER 2 H SER 2 3.542 1.584 -2.727
15 HA SER 2 HA SER 2 1.305 3.351 -2.758
16 HB2 SER 2 2HB SER 2 3.663 2.836 -4.445
17 HB3 SER 2 3HB SER 2 2.246 3.410 -5.324
18 HG SER 2 HG SER 2 2.853 5.300 -4.643
19 H LYS 3 H LYS 3 1.934 0.181 -4.010
20 HA LYS 3 HA LYS 3 -0.126 0.135 -5.971
21 HB2 LYS 3 2HB LYS 3 1.745 -1.787 -4.766
22 HB3 LYS 3 3HB LYS 3 0.213 -2.489 -5.270
23 HG2 LYS 3 2HG LYS 3 0.564 -1.492 -7.519
24 HG3 LYS 3 3HG LYS 3 2.164 -0.970 -6.986
25 HD2 LYS 3 2HD LYS 3 2.952 -3.160 -6.813
26 HD3 LYS 3 3HD LYS 3 1.324 -3.841 -6.766
27 HE2 LYS 3 2HE LYS 3 1.807 -2.349 -9.204
28 HE3 LYS 3 3HE LYS 3 2.984 -3.643 -8.983
29 HZ1 LYS 3 3HZ LYS 3 1.286 -4.716 -10.066
30 HZ2 LYS 3 1HZ LYS 3 0.067 -3.823 -9.304
31 HZ3 LYS 3 2HZ LYS 3 0.882 -5.038 -8.455
32 H ASP 4 H ASP 4 -0.040 -0.345 -2.539
33 HA ASP 4 HA ASP 4 -2.564 -1.705 -2.374
34 HB2 ASP 4 2HB ASP 4 -0.432 -0.993 -0.573
35 HB3 ASP 4 3HB ASP 4 -1.981 -0.514 0.115
36 H LEU 5 H LEU 5 -1.542 1.557 -2.629
37 HA LEU 5 HA LEU 5 -3.600 2.907 -1.307
38 HB2 LEU 5 2HB LEU 5 -1.414 3.596 -2.860
39 HB3 LEU 5 3HB LEU 5 -2.792 4.197 -3.780
40 HG LEU 5 HG LEU 5 -2.942 4.910 -0.964
41 HD11 LEU 5 1HD1 LEU 5 -0.733 6.250 -2.477
42 HD12 LEU 5 2HD1 LEU 5 -0.419 4.835 -1.474
43 HD13 LEU 5 3HD1 LEU 5 -1.091 6.296 -0.751
44 HD21 LEU 5 3HD2 LEU 5 -4.353 6.161 -2.230
45 HD22 LEU 5 1HD2 LEU 5 -3.290 6.142 -3.637
46 HD23 LEU 5 2HD2 LEU 5 -2.944 7.222 -2.285
47 H ARG 6 H ARG 6 -3.631 1.089 -4.221
48 HA ARG 6 HA ARG 6 -5.912 2.333 -5.413
49 HB2 ARG 6 2HB ARG 6 -4.078 0.203 -6.058
50 HB3 ARG 6 3HB ARG 6 -5.734 -0.315 -6.345
51 HG2 ARG 6 2HG ARG 6 -5.989 1.042 -8.111
52 HG3 ARG 6 3HG ARG 6 -5.091 2.361 -7.357
53 HD2 ARG 6 2HD ARG 6 -3.006 0.948 -7.778
54 HD3 ARG 6 3HD ARG 6 -4.025 -0.024 -8.840
55 HE ARG 6 HE ARG 6 -2.979 2.598 -9.365
56 HH11 ARG 6 1HH1 ARG 6 -5.515 0.333 -10.110
57 HH12 ARG 6 2HH1 ARG 6 -5.856 1.024 -11.662
58 HH21 ARG 6 1HH2 ARG 6 -3.418 3.517 -11.406
59 HH22 ARG 6 2HH2 ARG 6 -4.661 2.835 -12.399
60 H HIS 7 H HIS 7 -5.439 0.001 -2.932
61 HA HIS 7 HA HIS 7 -7.966 -1.306 -3.137
62 HB2 HIS 7 2HB HIS 7 -5.972 -1.101 -0.876
63 HB3 HIS 7 3HB HIS 7 -7.435 -2.077 -0.796
64 HD1 HIS 7 HD1 HIS 7 -4.660 -3.379 -0.559
65 HD2 HIS 7 HD2 HIS 7 -6.769 -3.012 -4.120
66 HE1 HIS 7 HE1 HIS 7 -3.754 -5.177 -2.066
67 H ALA 8 H ALA 8 -6.929 1.705 -1.872
68 HA ALA 8 HA ALA 8 -8.945 2.075 0.095
69 HB1 ALA 8 1HB ALA 8 -8.319 4.461 -0.034
70 HB2 ALA 8 2HB ALA 8 -6.926 3.395 0.155
71 HB3 ALA 8 3HB ALA 8 -7.295 4.091 -1.423
72 H PHE 9 H PHE 9 -8.876 2.373 -3.350
73 HA PHE 9 HA PHE 9 -10.914 4.199 -3.817
74 HB2 PHE 9 2HB PHE 9 -9.364 2.536 -5.377
75 HB3 PHE 9 3HB PHE 9 -10.985 1.893 -5.620
76 HD1 PHE 9 HD1 PHE 9 -12.820 3.604 -6.236
77 HD2 PHE 9 HD2 PHE 9 -8.647 4.354 -6.608
78 HE1 PHE 9 HE1 PHE 9 -13.290 5.397 -7.855
79 HE2 PHE 9 HE2 PHE 9 -9.110 6.148 -8.226
80 HZ PHE 9 HZ PHE 9 -11.434 6.673 -8.851
81 H ARG 10 H ARG 10 -11.075 0.859 -2.805
82 HA ARG 10 HA ARG 10 -13.776 0.348 -3.366
83 HB2 ARG 10 2HB ARG 10 -11.796 -1.184 -2.472
84 HB3 ARG 10 3HB ARG 10 -12.538 -0.820 -0.920
85 HG2 ARG 10 2HG ARG 10 -13.970 -2.466 -1.284
86 HG3 ARG 10 3HG ARG 10 -14.645 -1.529 -2.619
87 HD2 ARG 10 2HD ARG 10 -12.162 -3.026 -3.184
88 HD3 ARG 10 3HD ARG 10 -13.611 -3.991 -2.906
89 HE ARG 10 HE ARG 10 -14.241 -1.955 -4.717
90 HH11 ARG 10 1HH1 ARG 10 -12.292 -4.834 -4.534
91 HH12 ARG 10 2HH1 ARG 10 -12.395 -5.168 -6.231
92 HH21 ARG 10 1HH2 ARG 10 -14.383 -2.384 -6.952
93 HH22 ARG 10 2HH2 ARG 10 -13.584 -3.773 -7.606
94 H SER 11 H SER 11 -12.251 2.190 -0.858
95 HA SER 11 HA SER 11 -14.463 2.193 0.951
96 HB2 SER 11 2HB SER 11 -12.157 2.644 1.704
97 HB3 SER 11 3HB SER 11 -12.136 4.122 0.743
98 HG SER 11 HG SER 11 -12.711 4.768 2.748
99 H MET 12 H MET 12 -13.572 4.031 -1.849
100 HA MET 12 HA MET 12 -15.283 6.265 -1.323
101 HB2 MET 12 2HB MET 12 -13.244 6.247 -2.842
102 HB3 MET 12 3HB MET 12 -14.239 5.400 -4.018
103 HG2 MET 12 2HG MET 12 -15.478 7.237 -4.507
104 HG3 MET 12 3HG MET 12 -15.306 7.921 -2.892
105 HE1 MET 12 3HE MET 12 -13.953 10.802 -3.848
106 HE2 MET 12 1HE MET 12 -14.318 10.378 -5.521
107 HE3 MET 12 2HE MET 12 -15.417 9.895 -4.229
108 H PHE 13 H PHE 13 -15.676 3.128 -2.731
109 HA PHE 13 HA PHE 13 -18.027 3.670 -4.234
110 HB2 PHE 13 2HB PHE 13 -16.434 1.329 -3.511
111 HB3 PHE 13 3HB PHE 13 -18.160 0.987 -3.579
112 HD1 PHE 13 HD2 PHE 13 -16.066 3.287 -5.623
113 HD2 PHE 13 HD1 PHE 13 -18.518 -0.191 -5.531
114 HE1 PHE 13 HE2 PHE 13 -15.934 3.132 -8.075
115 HE2 PHE 13 HE1 PHE 13 -18.390 -0.352 -7.982
116 HZ PHE 13 HZ PHE 13 -17.097 1.312 -9.258
117 HA PRO 14 HA PRO 14 -21.173 3.547 -1.169
118 HB2 PRO 14 2HB PRO 14 -23.203 2.320 -2.480
119 HB3 PRO 14 3HB PRO 14 -22.658 3.953 -2.878
120 HG2 PRO 14 2HG PRO 14 -22.115 1.382 -4.273
121 HG3 PRO 14 3HG PRO 14 -22.333 3.007 -4.949
122 HD2 PRO 14 2HD PRO 14 -19.910 1.788 -4.632
123 HD3 PRO 14 3HD PRO 14 -20.179 3.537 -4.769
124 H SEP 15 H SEP 15 -19.959 0.567 -2.478
125 HA SEP 15 HA SEP 15 -21.593 -1.182 -0.830
126 HB2 SEP 15 2HB SEP 15 -19.202 -1.569 -2.695
127 HB3 SEP 15 3HB SEP 15 -19.455 -2.818 -1.503
128 H SER 16 H SER 16 -18.513 0.413 -0.491
129 HA SER 16 HA SER 16 -17.743 -0.878 1.924
130 HB2 SER 16 2HB SER 16 -16.774 1.383 0.290
131 HB3 SER 16 3HB SER 16 -16.398 1.486 2.009
132 HG SER 16 HG SER 16 -15.562 -0.703 1.780
133 H GLU 17 H GLU 17 -19.666 1.942 1.160
134 HA GLU 17 HA GLU 17 -19.777 2.837 3.908
135 HB2 GLU 17 2HB GLU 17 -19.914 4.273 1.734
136 HB3 GLU 17 3HB GLU 17 -21.611 3.814 1.745
137 HG2 GLU 17 2HG GLU 17 -21.567 4.668 4.190
138 HG3 GLU 17 3HG GLU 17 -20.098 5.502 3.686
Start of MODEL 13
1 H1 ARG 1 H ARG 1 4.739 1.354 0.644
2 HA ARG 1 HA ARG 1 3.966 -0.117 -0.999
3 HB2 ARG 1 2HB ARG 1 2.854 -1.389 0.986
4 HB3 ARG 1 3HB ARG 1 1.402 -0.521 0.505
5 HG2 ARG 1 2HG ARG 1 1.076 -1.817 -1.285
6 HG3 ARG 1 3HG ARG 1 2.789 -1.825 -1.712
7 HD2 ARG 1 2HD ARG 1 1.980 -3.343 0.702
8 HD3 ARG 1 3HD ARG 1 1.503 -4.002 -0.862
9 HE ARG 1 HE ARG 1 4.221 -3.322 -0.958
10 HH11 ARG 1 1HH1 ARG 1 2.095 -5.618 0.566
11 HH12 ARG 1 2HH1 ARG 1 3.306 -6.850 0.696
12 HH21 ARG 1 1HH2 ARG 1 5.824 -4.936 -0.793
13 HH22 ARG 1 2HH2 ARG 1 5.427 -6.461 -0.077
14 H SER 2 H SER 2 3.821 1.614 -2.380
15 HA SER 2 HA SER 2 1.684 3.510 -2.262
16 HB2 SER 2 2HB SER 2 4.031 3.019 -4.005
17 HB3 SER 2 3HB SER 2 2.675 3.867 -4.749
18 HG SER 2 HG SER 2 3.597 5.528 -3.821
19 H LYS 3 H LYS 3 2.191 0.457 -3.820
20 HA LYS 3 HA LYS 3 0.205 0.722 -5.837
21 HB2 LYS 3 2HB LYS 3 1.981 -1.361 -4.833
22 HB3 LYS 3 3HB LYS 3 0.405 -1.991 -5.293
23 HG2 LYS 3 2HG LYS 3 1.782 -0.153 -7.175
24 HG3 LYS 3 3HG LYS 3 2.384 -1.805 -7.020
25 HD2 LYS 3 2HD LYS 3 0.157 -2.669 -7.535
26 HD3 LYS 3 3HD LYS 3 -0.459 -1.020 -7.667
27 HE2 LYS 3 2HE LYS 3 -0.051 -1.419 -9.869
28 HE3 LYS 3 3HE LYS 3 1.542 -0.826 -9.403
29 HZ1 LYS 3 3HZ LYS 3 0.877 -3.315 -10.483
30 HZ2 LYS 3 1HZ LYS 3 1.439 -3.582 -8.909
31 HZ3 LYS 3 2HZ LYS 3 2.404 -2.752 -10.023
32 H ASP 4 H ASP 4 0.138 -0.115 -2.470
33 HA ASP 4 HA ASP 4 -2.396 -1.406 -2.458
34 HB2 ASP 4 2HB ASP 4 -0.386 -0.662 -0.530
35 HB3 ASP 4 3HB ASP 4 -1.986 -0.233 0.069
36 H LEU 5 H LEU 5 -1.411 1.874 -2.631
37 HA LEU 5 HA LEU 5 -3.564 3.181 -1.424
38 HB2 LEU 5 2HB LEU 5 -1.806 3.962 -3.737
39 HB3 LEU 5 3HB LEU 5 -3.009 5.043 -3.037
40 HG LEU 5 HG LEU 5 -0.833 3.845 -1.354
41 HD11 LEU 5 1HD1 LEU 5 -0.117 5.208 -3.516
42 HD12 LEU 5 2HD1 LEU 5 0.714 5.389 -1.971
43 HD13 LEU 5 3HD1 LEU 5 -0.497 6.573 -2.464
44 HD21 LEU 5 3HD2 LEU 5 -2.577 4.852 -0.097
45 HD22 LEU 5 1HD2 LEU 5 -2.617 6.262 -1.156
46 HD23 LEU 5 2HD2 LEU 5 -1.229 5.991 -0.103
47 H ARG 6 H ARG 6 -3.395 1.387 -4.347
48 HA ARG 6 HA ARG 6 -5.620 2.607 -5.663
49 HB2 ARG 6 2HB ARG 6 -3.681 1.095 -6.606
50 HB3 ARG 6 3HB ARG 6 -4.788 -0.212 -6.211
51 HG2 ARG 6 2HG ARG 6 -5.391 0.172 -8.369
52 HG3 ARG 6 3HG ARG 6 -6.493 1.282 -7.551
53 HD2 ARG 6 2HD ARG 6 -5.654 2.913 -8.809
54 HD3 ARG 6 3HD ARG 6 -4.143 2.734 -7.918
55 HE ARG 6 HE ARG 6 -3.216 1.728 -9.755
56 HH11 ARG 6 1HH1 ARG 6 -6.677 1.820 -10.120
57 HH12 ARG 6 2HH1 ARG 6 -6.649 1.274 -11.764
58 HH21 ARG 6 1HH2 ARG 6 -3.166 1.009 -11.919
59 HH22 ARG 6 2HH2 ARG 6 -4.651 0.813 -12.786
60 H HIS 7 H HIS 7 -5.259 0.261 -3.175
61 HA HIS 7 HA HIS 7 -7.767 -1.059 -3.543
62 HB2 HIS 7 2HB HIS 7 -5.762 -1.991 -2.306
63 HB3 HIS 7 3HB HIS 7 -6.170 -0.899 -0.985
64 HD1 HIS 7 HD1 HIS 7 -8.514 -3.075 -3.036
65 HD2 HIS 7 HD2 HIS 7 -7.198 -2.588 0.874
66 HE1 HIS 7 HE1 HIS 7 -9.897 -4.660 -1.659
67 H ALA 8 H ALA 8 -6.792 1.916 -2.150
68 HA ALA 8 HA ALA 8 -8.896 2.231 -0.267
69 HB1 ALA 8 1HB ALA 8 -7.708 4.630 -1.534
70 HB2 ALA 8 2HB ALA 8 -7.999 4.271 0.168
71 HB3 ALA 8 3HB ALA 8 -6.619 3.552 -0.661
72 H PHE 9 H PHE 9 -8.668 2.630 -3.696
73 HA PHE 9 HA PHE 9 -10.682 4.470 -4.204
74 HB2 PHE 9 2HB PHE 9 -9.043 3.155 -5.801
75 HB3 PHE 9 3HB PHE 9 -10.418 2.066 -5.963
76 HD1 PHE 9 HD1 PHE 9 -12.503 2.840 -6.978
77 HD2 PHE 9 HD2 PHE 9 -9.067 5.342 -6.762
78 HE1 PHE 9 HE1 PHE 9 -13.490 4.336 -8.664
79 HE2 PHE 9 HE2 PHE 9 -10.049 6.842 -8.447
80 HZ PHE 9 HZ PHE 9 -12.264 6.340 -9.400
81 H ARG 10 H ARG 10 -10.890 1.101 -3.298
82 HA ARG 10 HA ARG 10 -13.608 0.693 -3.970
83 HB2 ARG 10 2HB ARG 10 -11.666 -0.976 -3.253
84 HB3 ARG 10 3HB ARG 10 -12.394 -0.758 -1.667
85 HG2 ARG 10 2HG ARG 10 -14.607 -1.269 -3.047
86 HG3 ARG 10 3HG ARG 10 -13.449 -2.120 -4.071
87 HD2 ARG 10 2HD ARG 10 -12.656 -2.956 -1.629
88 HD3 ARG 10 3HD ARG 10 -14.380 -2.728 -1.342
89 HE ARG 10 HE ARG 10 -14.806 -4.552 -2.657
90 HH11 ARG 10 1HH1 ARG 10 -11.531 -3.498 -3.189
91 HH12 ARG 10 2HH1 ARG 10 -11.107 -4.873 -4.155
92 HH21 ARG 10 1HH2 ARG 10 -14.260 -6.367 -3.927
93 HH22 ARG 10 2HH2 ARG 10 -12.661 -6.503 -4.575
94 H SER 11 H SER 11 -12.007 2.095 -1.205
95 HA SER 11 HA SER 11 -14.131 1.974 0.636
96 HB2 SER 11 2HB SER 11 -11.715 2.556 1.137
97 HB3 SER 11 3HB SER 11 -12.052 4.165 0.498
98 HG SER 11 HG SER 11 -12.581 3.185 2.930
99 H MET 12 H MET 12 -13.516 4.040 -2.078
100 HA MET 12 HA MET 12 -15.312 6.130 -1.302
101 HB2 MET 12 2HB MET 12 -13.411 5.708 -3.353
102 HB3 MET 12 3HB MET 12 -14.951 6.007 -4.147
103 HG2 MET 12 2HG MET 12 -14.625 8.169 -3.849
104 HG3 MET 12 3HG MET 12 -14.773 7.912 -2.112
105 HE1 MET 12 3HE MET 12 -11.220 9.475 -4.260
106 HE2 MET 12 1HE MET 12 -12.412 8.509 -5.129
107 HE3 MET 12 2HE MET 12 -12.919 9.947 -4.244
108 H PHE 13 H PHE 13 -15.618 3.073 -2.894
109 HA PHE 13 HA PHE 13 -18.082 3.572 -4.220
110 HB2 PHE 13 2HB PHE 13 -16.397 1.214 -3.630
111 HB3 PHE 13 3HB PHE 13 -18.110 0.887 -3.870
112 HD1 PHE 13 HD2 PHE 13 -15.591 3.131 -5.474
113 HD2 PHE 13 HD1 PHE 13 -18.581 0.144 -5.979
114 HE1 PHE 13 HE2 PHE 13 -15.261 3.217 -7.911
115 HE2 PHE 13 HE1 PHE 13 -18.254 0.224 -8.416
116 HZ PHE 13 HZ PHE 13 -16.594 1.763 -9.386
117 HA PRO 14 HA PRO 14 -21.028 3.073 -0.999
118 HB2 PRO 14 2HB PRO 14 -23.058 1.803 -2.270
119 HB3 PRO 14 3HB PRO 14 -22.635 3.489 -2.589
120 HG2 PRO 14 2HG PRO 14 -22.023 1.048 -4.178
121 HG3 PRO 14 3HG PRO 14 -22.383 2.692 -4.734
122 HD2 PRO 14 2HD PRO 14 -19.878 1.614 -4.636
123 HD3 PRO 14 3HD PRO 14 -20.255 3.348 -4.639
124 H SEP 15 H SEP 15 -19.713 0.261 -2.553
125 HA SEP 15 HA SEP 15 -21.147 -1.686 -0.941
126 HB2 SEP 15 2HB SEP 15 -18.443 -2.295 -2.304
127 HB3 SEP 15 3HB SEP 15 -19.791 -3.375 -2.051
128 H SER 16 H SER 16 -18.164 0.089 -0.649
129 HA SER 16 HA SER 16 -17.230 -1.296 1.669
130 HB2 SER 16 2HB SER 16 -15.412 0.135 1.614
131 HB3 SER 16 3HB SER 16 -15.937 0.211 -0.068
132 HG SER 16 HG SER 16 -15.903 2.163 1.838
133 H GLU 17 H GLU 17 -19.386 1.354 1.087
134 HA GLU 17 HA GLU 17 -19.299 2.370 3.778
135 HB2 GLU 17 2HB GLU 17 -21.163 2.901 1.461
136 HB3 GLU 17 3HB GLU 17 -21.302 3.700 3.021
137 HG2 GLU 17 2HG GLU 17 -18.709 3.789 1.555
138 HG3 GLU 17 3HG GLU 17 -20.032 4.841 1.056
Start of MODEL 14
1 H1 ARG 1 H ARG 1 2.492 1.210 1.498
2 HA ARG 1 HA ARG 1 4.023 0.134 -0.586
3 HB2 ARG 1 2HB ARG 1 2.438 -1.822 0.512
4 HB3 ARG 1 3HB ARG 1 1.437 -1.233 -0.809
5 HG2 ARG 1 2HG ARG 1 3.655 -1.493 -2.186
6 HG3 ARG 1 3HG ARG 1 4.066 -2.620 -0.891
7 HD2 ARG 1 2HD ARG 1 1.358 -2.993 -1.881
8 HD3 ARG 1 3HD ARG 1 2.571 -3.183 -3.147
9 HE ARG 1 HE ARG 1 2.119 -4.922 -0.894
10 HH11 ARG 1 1HH1 ARG 1 4.385 -3.880 -3.323
11 HH12 ARG 1 2HH1 ARG 1 5.319 -5.338 -3.263
12 HH21 ARG 1 1HH2 ARG 1 3.340 -6.846 -0.807
13 HH22 ARG 1 2HH2 ARG 1 4.723 -7.025 -1.833
14 H SER 2 H SER 2 3.514 1.084 -2.510
15 HA SER 2 HA SER 2 1.484 3.148 -2.422
16 HB2 SER 2 2HB SER 2 3.369 2.463 -4.688
17 HB3 SER 2 3HB SER 2 2.469 3.964 -4.471
18 HG SER 2 HG SER 2 3.899 4.626 -3.058
19 H LYS 3 H LYS 3 1.948 0.019 -3.840
20 HA LYS 3 HA LYS 3 -0.021 0.233 -5.881
21 HB2 LYS 3 2HB LYS 3 1.196 -2.168 -4.509
22 HB3 LYS 3 3HB LYS 3 0.096 -2.278 -5.878
23 HG2 LYS 3 2HG LYS 3 1.645 -1.493 -7.366
24 HG3 LYS 3 3HG LYS 3 2.524 -0.579 -6.138
25 HD2 LYS 3 2HD LYS 3 3.420 -2.641 -5.213
26 HD3 LYS 3 3HD LYS 3 2.488 -3.589 -6.374
27 HE2 LYS 3 2HE LYS 3 4.148 -3.417 -7.838
28 HE3 LYS 3 3HE LYS 3 3.976 -1.663 -7.826
29 HZ1 LYS 3 3HZ LYS 3 6.088 -1.783 -7.090
30 HZ2 LYS 3 1HZ LYS 3 5.916 -3.345 -6.463
31 HZ3 LYS 3 2HZ LYS 3 5.346 -2.016 -5.588
32 H ASP 4 H ASP 4 -0.091 -0.640 -2.495
33 HA ASP 4 HA ASP 4 -2.704 -1.770 -2.504
34 HB2 ASP 4 2HB ASP 4 -0.626 -1.250 -0.575
35 HB3 ASP 4 3HB ASP 4 -2.186 -0.739 0.065
36 H LEU 5 H LEU 5 -1.505 1.441 -2.549
37 HA LEU 5 HA LEU 5 -3.551 2.834 -1.254
38 HB2 LEU 5 2HB LEU 5 -1.309 3.673 -2.185
39 HB3 LEU 5 3HB LEU 5 -2.169 3.858 -3.712
40 HG LEU 5 HG LEU 5 -3.430 5.142 -1.376
41 HD11 LEU 5 1HD1 LEU 5 -0.641 5.567 -1.962
42 HD12 LEU 5 2HD1 LEU 5 -1.633 6.231 -0.664
43 HD13 LEU 5 3HD1 LEU 5 -1.577 7.037 -2.232
44 HD21 LEU 5 3HD2 LEU 5 -4.315 6.484 -2.950
45 HD22 LEU 5 1HD2 LEU 5 -3.814 5.202 -4.053
46 HD23 LEU 5 2HD2 LEU 5 -2.796 6.625 -3.835
47 H ARG 6 H ARG 6 -3.538 1.163 -4.254
48 HA ARG 6 HA ARG 6 -5.693 2.583 -5.482
49 HB2 ARG 6 2HB ARG 6 -3.879 0.548 -6.230
50 HB3 ARG 6 3HB ARG 6 -5.493 -0.120 -6.428
51 HG2 ARG 6 2HG ARG 6 -5.925 1.147 -8.214
52 HG3 ARG 6 3HG ARG 6 -5.211 2.586 -7.483
53 HD2 ARG 6 2HD ARG 6 -3.124 2.140 -8.312
54 HD3 ARG 6 3HD ARG 6 -3.396 0.399 -8.356
55 HE ARG 6 HE ARG 6 -3.841 2.241 -10.470
56 HH11 ARG 6 1HH1 ARG 6 -5.091 -0.671 -9.028
57 HH12 ARG 6 2HH1 ARG 6 -5.797 -1.252 -10.499
58 HH21 ARG 6 1HH2 ARG 6 -4.766 1.486 -12.414
59 HH22 ARG 6 2HH2 ARG 6 -5.610 -0.025 -12.425
60 H HIS 7 H HIS 7 -5.458 0.112 -3.104
61 HA HIS 7 HA HIS 7 -8.063 -1.008 -3.491
62 HB2 HIS 7 2HB HIS 7 -6.009 -2.051 -2.298
63 HB3 HIS 7 3HB HIS 7 -6.543 -1.124 -0.899
64 HD1 HIS 7 HD1 HIS 7 -8.769 -1.850 0.224
65 HD2 HIS 7 HD2 HIS 7 -7.570 -4.273 -2.932
66 HE1 HIS 7 HE1 HIS 7 -10.189 -3.919 0.387
67 H ALA 8 H ALA 8 -6.841 1.805 -1.963
68 HA ALA 8 HA ALA 8 -8.872 2.169 -0.012
69 HB1 ALA 8 1HB ALA 8 -8.047 4.684 -0.454
70 HB2 ALA 8 2HB ALA 8 -7.145 3.524 0.522
71 HB3 ALA 8 3HB ALA 8 -6.696 3.798 -1.161
72 H PHE 9 H PHE 9 -8.698 2.736 -3.422
73 HA PHE 9 HA PHE 9 -10.642 4.721 -3.725
74 HB2 PHE 9 2HB PHE 9 -9.035 3.492 -5.450
75 HB3 PHE 9 3HB PHE 9 -10.481 2.532 -5.743
76 HD1 PHE 9 HD1 PHE 9 -12.555 3.646 -6.536
77 HD2 PHE 9 HD2 PHE 9 -8.834 5.696 -6.270
78 HE1 PHE 9 HE1 PHE 9 -13.416 5.398 -8.034
79 HE2 PHE 9 HE2 PHE 9 -9.690 7.451 -7.766
80 HZ PHE 9 HZ PHE 9 -11.984 7.305 -8.650
81 H ARG 10 H ARG 10 -10.926 1.310 -3.091
82 HA ARG 10 HA ARG 10 -13.640 0.995 -3.834
83 HB2 ARG 10 2HB ARG 10 -11.865 -0.814 -3.366
84 HB3 ARG 10 3HB ARG 10 -12.284 -0.598 -1.672
85 HG2 ARG 10 2HG ARG 10 -14.458 -1.395 -1.987
86 HG3 ARG 10 3HG ARG 10 -14.369 -1.197 -3.738
87 HD2 ARG 10 2HD ARG 10 -12.481 -3.052 -2.354
88 HD3 ARG 10 3HD ARG 10 -14.138 -3.567 -2.668
89 HE ARG 10 HE ARG 10 -12.858 -2.496 -4.991
90 HH11 ARG 10 1HH1 ARG 10 -13.217 -5.344 -3.022
91 HH12 ARG 10 2HH1 ARG 10 -12.839 -6.441 -4.309
92 HH21 ARG 10 1HH2 ARG 10 -12.359 -3.929 -6.694
93 HH22 ARG 10 2HH2 ARG 10 -12.350 -5.635 -6.397
94 H SER 11 H SER 11 -12.060 2.188 -0.965
95 HA SER 11 HA SER 11 -14.210 1.965 0.839
96 HB2 SER 11 2HB SER 11 -11.602 2.799 1.019
97 HB3 SER 11 3HB SER 11 -12.483 4.313 1.219
98 HG SER 11 HG SER 11 -12.715 1.944 2.755
99 H MET 12 H MET 12 -13.532 4.203 -1.717
100 HA MET 12 HA MET 12 -15.308 6.261 -0.821
101 HB2 MET 12 2HB MET 12 -13.447 6.776 -2.315
102 HB3 MET 12 3HB MET 12 -14.126 5.727 -3.552
103 HG2 MET 12 2HG MET 12 -15.917 7.184 -3.959
104 HG3 MET 12 3HG MET 12 -15.624 8.089 -2.476
105 HE1 MET 12 3HE MET 12 -14.949 10.511 -5.552
106 HE2 MET 12 1HE MET 12 -16.238 9.413 -5.059
107 HE3 MET 12 2HE MET 12 -15.585 10.579 -3.908
108 H PHE 13 H PHE 13 -15.639 3.324 -2.619
109 HA PHE 13 HA PHE 13 -18.078 3.949 -3.937
110 HB2 PHE 13 2HB PHE 13 -16.454 1.514 -3.466
111 HB3 PHE 13 3HB PHE 13 -18.164 1.259 -3.798
112 HD1 PHE 13 HD2 PHE 13 -15.307 3.266 -5.118
113 HD2 PHE 13 HD1 PHE 13 -18.779 0.961 -5.983
114 HE1 PHE 13 HE2 PHE 13 -14.873 3.522 -7.526
115 HE2 PHE 13 HE1 PHE 13 -18.349 1.212 -8.393
116 HZ PHE 13 HZ PHE 13 -16.395 2.495 -9.167
117 HA PRO 14 HA PRO 14 -21.070 3.278 -0.789
118 HB2 PRO 14 2HB PRO 14 -23.104 2.131 -2.166
119 HB3 PRO 14 3HB PRO 14 -22.650 3.828 -2.367
120 HG2 PRO 14 2HG PRO 14 -22.054 1.486 -4.106
121 HG3 PRO 14 3HG PRO 14 -22.389 3.168 -4.558
122 HD2 PRO 14 2HD PRO 14 -19.898 2.051 -4.505
123 HD3 PRO 14 3HD PRO 14 -20.249 3.788 -4.395
124 H SEP 15 H SEP 15 -19.779 0.559 -2.517
125 HA SEP 15 HA SEP 15 -21.261 -1.471 -1.057
126 HB2 SEP 15 2HB SEP 15 -19.238 -1.434 -3.232
127 HB3 SEP 15 3HB SEP 15 -18.802 -2.652 -2.061
128 H SER 16 H SER 16 -18.254 0.232 -0.613
129 HA SER 16 HA SER 16 -17.363 -1.322 1.611
130 HB2 SER 16 2HB SER 16 -16.391 0.918 0.061
131 HB3 SER 16 3HB SER 16 -16.171 1.216 1.785
132 HG SER 16 HG SER 16 -15.415 -1.221 0.565
133 H GLU 17 H GLU 17 -19.422 1.455 1.202
134 HA GLU 17 HA GLU 17 -19.375 2.255 3.954
135 HB2 GLU 17 2HB GLU 17 -21.261 2.947 1.697
136 HB3 GLU 17 3HB GLU 17 -21.325 3.676 3.296
137 HG2 GLU 17 2HG GLU 17 -19.069 4.558 2.985
138 HG3 GLU 17 3HG GLU 17 -19.008 3.832 1.380
Start of MODEL 15
1 H1 ARG 1 H ARG 1 3.283 2.213 0.538
2 HA ARG 1 HA ARG 1 3.091 -0.001 -1.398
3 HB2 ARG 1 2HB ARG 1 1.453 0.659 1.014
4 HB3 ARG 1 3HB ARG 1 0.675 -0.129 -0.352
5 HG2 ARG 1 2HG ARG 1 3.206 -1.285 0.690
6 HG3 ARG 1 3HG ARG 1 1.724 -1.511 1.621
7 HD2 ARG 1 2HD ARG 1 0.636 -2.497 -0.318
8 HD3 ARG 1 3HD ARG 1 2.082 -2.221 -1.288
9 HE ARG 1 HE ARG 1 2.958 -3.731 0.802
10 HH11 ARG 1 1HH1 ARG 1 0.451 -4.081 -1.588
11 HH12 ARG 1 2HH1 ARG 1 0.534 -5.811 -1.611
12 HH21 ARG 1 1HH2 ARG 1 3.077 -6.009 0.781
13 HH22 ARG 1 2HH2 ARG 1 2.027 -6.907 -0.263
14 H SER 2 H SER 2 3.309 1.681 -3.039
15 HA SER 2 HA SER 2 1.191 3.627 -3.293
16 HB2 SER 2 2HB SER 2 3.160 4.491 -4.153
17 HB3 SER 2 3HB SER 2 3.660 2.946 -4.841
18 HG SER 2 HG SER 2 2.439 3.297 -6.573
19 H LYS 3 H LYS 3 2.001 0.492 -4.606
20 HA LYS 3 HA LYS 3 0.126 0.536 -6.749
21 HB2 LYS 3 2HB LYS 3 0.563 -1.849 -6.932
22 HB3 LYS 3 3HB LYS 3 2.073 -0.975 -6.709
23 HG2 LYS 3 2HG LYS 3 1.813 -1.538 -4.225
24 HG3 LYS 3 3HG LYS 3 0.605 -2.711 -4.758
25 HD2 LYS 3 2HD LYS 3 2.160 -4.114 -5.570
26 HD3 LYS 3 3HD LYS 3 3.109 -2.802 -6.275
27 HE2 LYS 3 2HE LYS 3 4.170 -2.349 -4.193
28 HE3 LYS 3 3HE LYS 3 3.063 -3.412 -3.326
29 HZ1 LYS 3 3HZ LYS 3 5.239 -4.164 -5.184
30 HZ2 LYS 3 1HZ LYS 3 4.009 -5.247 -4.764
31 HZ3 LYS 3 2HZ LYS 3 5.032 -4.624 -3.569
32 H ASP 4 H ASP 4 -0.040 -0.296 -3.367
33 HA ASP 4 HA ASP 4 -2.568 -1.646 -3.553
34 HB2 ASP 4 2HB ASP 4 -0.574 -1.186 -1.534
35 HB3 ASP 4 3HB ASP 4 -2.161 -0.756 -0.903
36 H LEU 5 H LEU 5 -1.531 1.615 -3.338
37 HA LEU 5 HA LEU 5 -3.683 2.814 -2.020
38 HB2 LEU 5 2HB LEU 5 -1.384 3.696 -3.161
39 HB3 LEU 5 3HB LEU 5 -2.581 4.296 -4.308
40 HG LEU 5 HG LEU 5 -3.715 5.475 -2.454
41 HD11 LEU 5 1HD1 LEU 5 -2.000 5.724 -0.424
42 HD12 LEU 5 2HD1 LEU 5 -1.640 4.063 -0.892
43 HD13 LEU 5 3HD1 LEU 5 -3.285 4.517 -0.450
44 HD21 LEU 5 3HD2 LEU 5 -0.787 6.155 -2.700
45 HD22 LEU 5 1HD2 LEU 5 -2.092 7.249 -2.239
46 HD23 LEU 5 2HD2 LEU 5 -2.031 6.590 -3.874
47 H ARG 6 H ARG 6 -3.495 1.360 -5.125
48 HA ARG 6 HA ARG 6 -5.681 2.758 -6.324
49 HB2 ARG 6 2HB ARG 6 -3.715 1.088 -7.256
50 HB3 ARG 6 3HB ARG 6 -5.133 0.050 -7.314
51 HG2 ARG 6 2HG ARG 6 -6.083 1.211 -8.996
52 HG3 ARG 6 3HG ARG 6 -5.478 2.762 -8.411
53 HD2 ARG 6 2HD ARG 6 -3.314 1.058 -9.271
54 HD3 ARG 6 3HD ARG 6 -4.504 1.263 -10.555
55 HE ARG 6 HE ARG 6 -2.665 3.213 -9.617
56 HH11 ARG 6 1HH1 ARG 6 -5.897 2.822 -10.852
57 HH12 ARG 6 2HH1 ARG 6 -5.979 4.422 -11.510
58 HH21 ARG 6 1HH2 ARG 6 -2.762 5.323 -10.478
59 HH22 ARG 6 2HH2 ARG 6 -4.195 5.844 -11.297
60 H HIS 7 H HIS 7 -5.394 0.140 -4.115
61 HA HIS 7 HA HIS 7 -7.928 -1.071 -4.665
62 HB2 HIS 7 2HB HIS 7 -5.998 -2.247 -3.577
63 HB3 HIS 7 3HB HIS 7 -6.284 -1.275 -2.137
64 HD1 HIS 7 HD1 HIS 7 -7.665 -2.413 -0.444
65 HD2 HIS 7 HD2 HIS 7 -8.535 -3.745 -4.282
66 HE1 HIS 7 HE1 HIS 7 -9.398 -4.211 -0.154
67 H ALA 8 H ALA 8 -6.887 1.675 -2.902
68 HA ALA 8 HA ALA 8 -8.955 1.810 -0.972
69 HB1 ALA 8 1HB ALA 8 -6.729 3.112 -1.092
70 HB2 ALA 8 2HB ALA 8 -7.627 4.242 -2.106
71 HB3 ALA 8 3HB ALA 8 -8.157 3.927 -0.453
72 H PHE 9 H PHE 9 -8.810 2.572 -4.346
73 HA PHE 9 HA PHE 9 -10.837 4.452 -4.601
74 HB2 PHE 9 2HB PHE 9 -9.505 2.517 -6.353
75 HB3 PHE 9 3HB PHE 9 -11.158 2.878 -6.838
76 HD1 PHE 9 HD1 PHE 9 -11.808 5.253 -7.277
77 HD2 PHE 9 HD2 PHE 9 -7.764 4.053 -6.711
78 HE1 PHE 9 HE1 PHE 9 -11.045 7.342 -8.329
79 HE2 PHE 9 HE2 PHE 9 -6.994 6.141 -7.761
80 HZ PHE 9 HZ PHE 9 -8.635 7.789 -8.571
81 H ARG 10 H ARG 10 -11.017 1.016 -4.025
82 HA ARG 10 HA ARG 10 -13.794 0.748 -4.642
83 HB2 ARG 10 2HB ARG 10 -12.354 -1.192 -4.749
84 HB3 ARG 10 3HB ARG 10 -11.913 -1.006 -3.057
85 HG2 ARG 10 2HG ARG 10 -13.971 -1.759 -2.303
86 HG3 ARG 10 3HG ARG 10 -14.766 -1.426 -3.843
87 HD2 ARG 10 2HD ARG 10 -13.747 -3.289 -4.880
88 HD3 ARG 10 3HD ARG 10 -12.604 -3.495 -3.554
89 HE ARG 10 HE ARG 10 -15.168 -3.786 -2.508
90 HH11 ARG 10 1HH1 ARG 10 -13.066 -5.395 -4.770
91 HH12 ARG 10 2HH1 ARG 10 -13.741 -6.964 -4.481
92 HH21 ARG 10 1HH2 ARG 10 -16.065 -5.847 -2.119
93 HH22 ARG 10 2HH2 ARG 10 -15.447 -7.220 -2.974
94 H SER 11 H SER 11 -11.972 1.713 -1.856
95 HA SER 11 HA SER 11 -13.984 1.244 0.097
96 HB2 SER 11 2HB SER 11 -11.452 1.657 0.442
97 HB3 SER 11 3HB SER 11 -11.865 3.369 0.347
98 HG SER 11 HG SER 11 -12.023 1.824 2.450
99 H MET 12 H MET 12 -13.387 3.776 -2.191
100 HA MET 12 HA MET 12 -14.907 5.814 -0.928
101 HB2 MET 12 2HB MET 12 -14.013 5.377 -3.772
102 HB3 MET 12 3HB MET 12 -14.978 6.769 -3.300
103 HG2 MET 12 2HG MET 12 -12.908 6.728 -1.463
104 HG3 MET 12 3HG MET 12 -12.147 6.282 -2.988
105 HE1 MET 12 3HE MET 12 -10.852 8.200 -2.065
106 HE2 MET 12 1HE MET 12 -10.756 9.078 -3.592
107 HE3 MET 12 2HE MET 12 -11.305 9.904 -2.133
108 H PHE 13 H PHE 13 -15.725 3.053 -2.845
109 HA PHE 13 HA PHE 13 -18.284 3.930 -3.718
110 HB2 PHE 13 2HB PHE 13 -16.691 1.506 -3.866
111 HB3 PHE 13 3HB PHE 13 -18.389 1.147 -3.567
112 HD1 PHE 13 HD2 PHE 13 -16.768 3.823 -5.588
113 HD2 PHE 13 HD1 PHE 13 -19.293 0.396 -5.547
114 HE1 PHE 13 HE2 PHE 13 -17.256 4.157 -7.976
115 HE2 PHE 13 HE1 PHE 13 -19.784 0.725 -7.935
116 HZ PHE 13 HZ PHE 13 -18.766 2.608 -9.153
117 HA PRO 14 HA PRO 14 -20.802 3.208 -0.190
118 HB2 PRO 14 2HB PRO 14 -23.102 2.301 -1.309
119 HB3 PRO 14 3HB PRO 14 -22.562 3.978 -1.451
120 HG2 PRO 14 2HG PRO 14 -22.425 1.769 -3.437
121 HG3 PRO 14 3HG PRO 14 -22.666 3.507 -3.698
122 HD2 PRO 14 2HD PRO 14 -20.306 2.199 -4.117
123 HD3 PRO 14 3HD PRO 14 -20.503 3.941 -3.839
124 H SEP 15 H SEP 15 -20.001 0.555 -2.280
125 HA SEP 15 HA SEP 15 -21.393 -1.483 -0.746
126 HB2 SEP 15 2HB SEP 15 -20.861 -1.969 -3.119
127 HB3 SEP 15 3HB SEP 15 -19.158 -1.665 -2.888
128 H SER 16 H SER 16 -18.232 -0.019 -0.668
129 HA SER 16 HA SER 16 -17.311 -1.775 1.452
130 HB2 SER 16 2HB SER 16 -16.015 -0.342 -0.528
131 HB3 SER 16 3HB SER 16 -15.685 0.599 0.927
132 HG SER 16 HG SER 16 -14.168 -1.141 0.462
133 H GLU 17 H GLU 17 -18.639 1.423 1.062
134 HA GLU 17 HA GLU 17 -17.927 2.385 3.652
135 HB2 GLU 17 2HB GLU 17 -18.481 3.846 1.701
136 HB3 GLU 17 3HB GLU 17 -20.158 3.342 1.853
137 HG2 GLU 17 2HG GLU 17 -20.531 4.876 3.397
138 HG3 GLU 17 3HG GLU 17 -19.205 4.265 4.386
Start of MODEL 16
1 H1 ARG 1 H ARG 1 4.401 1.996 -0.466
2 HA ARG 1 HA ARG 1 3.896 0.272 -1.977
3 HB2 ARG 1 2HB ARG 1 1.501 -0.225 -0.199
4 HB3 ARG 1 3HB ARG 1 1.916 -1.156 -1.632
5 HG2 ARG 1 2HG ARG 1 3.859 -2.037 -0.610
6 HG3 ARG 1 3HG ARG 1 3.748 -0.899 0.735
7 HD2 ARG 1 2HD ARG 1 1.580 -2.894 0.155
8 HD3 ARG 1 3HD ARG 1 2.979 -3.303 1.146
9 HE ARG 1 HE ARG 1 2.074 -1.054 2.314
10 HH11 ARG 1 1HH1 ARG 1 0.500 -4.005 1.349
11 HH12 ARG 1 2HH1 ARG 1 -0.696 -3.930 2.600
12 HH21 ARG 1 1HH2 ARG 1 0.505 -0.944 3.966
13 HH22 ARG 1 2HH2 ARG 1 -0.693 -2.188 4.087
14 H SER 2 H SER 2 3.546 1.581 -3.673
15 HA SER 2 HA SER 2 1.292 3.366 -3.791
16 HB2 SER 2 2HB SER 2 2.184 4.058 -5.934
17 HB3 SER 2 3HB SER 2 3.516 3.915 -4.788
18 HG SER 2 HG SER 2 3.470 2.836 -7.092
19 H LYS 3 H LYS 3 2.050 0.172 -4.901
20 HA LYS 3 HA LYS 3 0.067 -0.004 -6.933
21 HB2 LYS 3 2HB LYS 3 0.481 -2.409 -6.856
22 HB3 LYS 3 3HB LYS 3 1.998 -1.519 -6.847
23 HG2 LYS 3 2HG LYS 3 2.131 -1.830 -4.405
24 HG3 LYS 3 3HG LYS 3 0.654 -2.795 -4.472
25 HD2 LYS 3 2HD LYS 3 3.108 -3.464 -6.081
26 HD3 LYS 3 3HD LYS 3 2.843 -4.078 -4.447
27 HE2 LYS 3 2HE LYS 3 1.637 -5.729 -5.314
28 HE3 LYS 3 3HE LYS 3 0.456 -4.536 -5.855
29 HZ1 LYS 3 3HZ LYS 3 2.218 -4.303 -7.793
30 HZ2 LYS 3 1HZ LYS 3 0.979 -5.454 -7.840
31 HZ3 LYS 3 2HZ LYS 3 2.538 -5.909 -7.369
32 H ASP 4 H ASP 4 0.088 -0.556 -3.477
33 HA ASP 4 HA ASP 4 -2.509 -1.805 -3.446
34 HB2 ASP 4 2HB ASP 4 -0.355 -1.390 -1.579
35 HB3 ASP 4 3HB ASP 4 -1.879 -0.882 -0.857
36 H LEU 5 H LEU 5 -1.280 1.395 -3.404
37 HA LEU 5 HA LEU 5 -3.261 2.751 -1.976
38 HB2 LEU 5 2HB LEU 5 -1.006 3.472 -3.292
39 HB3 LEU 5 3HB LEU 5 -2.239 4.097 -4.384
40 HG LEU 5 HG LEU 5 -3.198 5.372 -2.473
41 HD11 LEU 5 1HD1 LEU 5 -0.952 4.024 -1.069
42 HD12 LEU 5 2HD1 LEU 5 -2.579 4.402 -0.503
43 HD13 LEU 5 3HD1 LEU 5 -1.364 5.676 -0.605
44 HD21 LEU 5 3HD2 LEU 5 -1.182 6.040 -4.127
45 HD22 LEU 5 1HD2 LEU 5 -0.388 6.259 -2.567
46 HD23 LEU 5 2HD2 LEU 5 -1.872 7.139 -2.932
47 H ARG 6 H ARG 6 -3.379 1.206 -5.040
48 HA ARG 6 HA ARG 6 -5.564 2.694 -6.126
49 HB2 ARG 6 2HB ARG 6 -3.787 1.081 -7.263
50 HB3 ARG 6 3HB ARG 6 -5.039 -0.118 -6.966
51 HG2 ARG 6 2HG ARG 6 -6.580 1.676 -8.104
52 HG3 ARG 6 3HG ARG 6 -5.051 2.228 -8.792
53 HD2 ARG 6 2HD ARG 6 -4.970 0.511 -10.213
54 HD3 ARG 6 3HD ARG 6 -5.327 -0.652 -8.937
55 HE ARG 6 HE ARG 6 -7.488 -0.697 -9.661
56 HH11 ARG 6 1HH1 ARG 6 -5.986 2.221 -10.822
57 HH12 ARG 6 2HH1 ARG 6 -7.349 2.697 -11.780
58 HH21 ARG 6 1HH2 ARG 6 -9.289 -0.082 -10.918
59 HH22 ARG 6 2HH2 ARG 6 -9.228 1.387 -11.833
60 H HIS 7 H HIS 7 -5.266 0.125 -3.861
61 HA HIS 7 HA HIS 7 -7.893 -0.957 -4.192
62 HB2 HIS 7 2HB HIS 7 -5.848 -1.196 -1.984
63 HB3 HIS 7 3HB HIS 7 -7.405 -2.019 -1.944
64 HD1 HIS 7 HD1 HIS 7 -4.472 -3.338 -2.130
65 HD2 HIS 7 HD2 HIS 7 -7.249 -2.942 -5.194
66 HE1 HIS 7 HE1 HIS 7 -3.885 -5.121 -3.804
67 H ALA 8 H ALA 8 -6.591 1.785 -2.603
68 HA ALA 8 HA ALA 8 -8.545 2.090 -0.566
69 HB1 ALA 8 1HB ALA 8 -6.309 3.205 -0.605
70 HB2 ALA 8 2HB ALA 8 -6.929 4.278 -1.861
71 HB3 ALA 8 3HB ALA 8 -7.659 4.285 -0.256
72 H PHE 9 H PHE 9 -8.491 2.787 -3.956
73 HA PHE 9 HA PHE 9 -10.441 4.792 -4.097
74 HB2 PHE 9 2HB PHE 9 -8.890 3.745 -5.939
75 HB3 PHE 9 3HB PHE 9 -10.261 2.674 -6.208
76 HD1 PHE 9 HD2 PHE 9 -9.889 6.328 -5.533
77 HD2 PHE 9 HD1 PHE 9 -11.468 3.282 -8.053
78 HE1 PHE 9 HE2 PHE 9 -10.949 8.046 -6.940
79 HE2 PHE 9 HE1 PHE 9 -12.529 4.995 -9.464
80 HZ PHE 9 HZ PHE 9 -12.272 7.381 -8.908
81 H ARG 10 H ARG 10 -10.699 1.359 -3.608
82 HA ARG 10 HA ARG 10 -13.455 1.110 -4.268
83 HB2 ARG 10 2HB ARG 10 -11.342 -0.591 -3.215
84 HB3 ARG 10 3HB ARG 10 -12.888 -0.904 -2.438
85 HG2 ARG 10 2HG ARG 10 -13.924 -1.355 -4.557
86 HG3 ARG 10 3HG ARG 10 -12.458 -0.879 -5.416
87 HD2 ARG 10 2HD ARG 10 -12.230 -3.161 -5.416
88 HD3 ARG 10 3HD ARG 10 -11.359 -2.745 -3.941
89 HE ARG 10 HE ARG 10 -13.931 -3.181 -3.128
90 HH11 ARG 10 1HH1 ARG 10 -11.537 -5.024 -4.857
91 HH12 ARG 10 2HH1 ARG 10 -12.112 -6.554 -4.285
92 HH21 ARG 10 1HH2 ARG 10 -14.698 -5.190 -2.367
93 HH22 ARG 10 2HH2 ARG 10 -13.911 -6.648 -2.869
94 H SER 11 H SER 11 -11.695 1.966 -1.371
95 HA SER 11 HA SER 11 -13.763 1.617 0.503
96 HB2 SER 11 2HB SER 11 -11.474 1.912 1.239
97 HB3 SER 11 3HB SER 11 -11.408 3.518 0.514
98 HG SER 11 HG SER 11 -12.605 2.673 2.874
99 H MET 12 H MET 12 -13.145 4.090 -1.843
100 HA MET 12 HA MET 12 -14.809 6.090 -0.652
101 HB2 MET 12 2HB MET 12 -13.157 5.820 -3.032
102 HB3 MET 12 3HB MET 12 -14.664 6.660 -3.370
103 HG2 MET 12 2HG MET 12 -13.470 7.635 -0.939
104 HG3 MET 12 3HG MET 12 -12.337 7.729 -2.285
105 HE1 MET 12 3HE MET 12 -14.984 10.883 -1.175
106 HE2 MET 12 1HE MET 12 -14.224 9.572 -0.272
107 HE3 MET 12 2HE MET 12 -13.226 10.736 -1.145
108 H PHE 13 H PHE 13 -15.324 3.358 -2.711
109 HA PHE 13 HA PHE 13 -17.807 4.174 -3.826
110 HB2 PHE 13 2HB PHE 13 -16.194 1.708 -3.740
111 HB3 PHE 13 3HB PHE 13 -17.930 1.451 -3.883
112 HD1 PHE 13 HD2 PHE 13 -15.374 3.751 -5.344
113 HD2 PHE 13 HD1 PHE 13 -18.701 1.182 -6.016
114 HE1 PHE 13 HE2 PHE 13 -15.238 4.211 -7.757
115 HE2 PHE 13 HE1 PHE 13 -18.569 1.637 -8.431
116 HZ PHE 13 HZ PHE 13 -16.837 3.155 -9.304
117 HA PRO 14 HA PRO 14 -20.652 3.270 -0.601
118 HB2 PRO 14 2HB PRO 14 -22.791 2.324 -1.971
119 HB3 PRO 14 3HB PRO 14 -22.292 4.019 -2.029
120 HG2 PRO 14 2HG PRO 14 -21.855 1.845 -4.018
121 HG3 PRO 14 3HG PRO 14 -22.174 3.568 -4.286
122 HD2 PRO 14 2HD PRO 14 -19.709 2.392 -4.479
123 HD3 PRO 14 3HD PRO 14 -20.006 4.116 -4.178
124 H SEP 15 H SEP 15 -19.536 0.706 -2.655
125 HA SEP 15 HA SEP 15 -21.008 -1.421 -1.330
126 HB2 SEP 15 2HB SEP 15 -19.693 -1.343 -3.745
127 HB3 SEP 15 3HB SEP 15 -18.388 -2.025 -2.809
128 H SER 16 H SER 16 -17.930 0.147 -0.875
129 HA SER 16 HA SER 16 -16.943 -1.641 1.106
130 HB2 SER 16 2HB SER 16 -15.108 -0.257 1.221
131 HB3 SER 16 3HB SER 16 -15.739 0.230 -0.352
132 HG SER 16 HG SER 16 -16.011 1.549 2.135
133 H GLU 17 H GLU 17 -19.004 1.173 1.162
134 HA GLU 17 HA GLU 17 -18.885 1.407 4.051
135 HB2 GLU 17 2HB GLU 17 -19.557 3.137 1.929
136 HB3 GLU 17 3HB GLU 17 -21.031 2.912 2.861
137 HG2 GLU 17 2HG GLU 17 -19.979 4.791 3.781
138 HG3 GLU 17 3HG GLU 17 -19.669 3.474 4.911
Start of MODEL 17
1 H1 ARG 1 H ARG 1 5.306 0.999 -0.702
2 HA ARG 1 HA ARG 1 3.555 -0.199 -1.521
3 HB2 ARG 1 2HB ARG 1 2.505 0.799 1.091
4 HB3 ARG 1 3HB ARG 1 1.390 0.016 -0.021
5 HG2 ARG 1 2HG ARG 1 3.060 -1.903 -0.090
6 HG3 ARG 1 3HG ARG 1 3.814 -1.139 1.311
7 HD2 ARG 1 2HD ARG 1 1.980 -1.520 2.669
8 HD3 ARG 1 3HD ARG 1 0.873 -1.666 1.304
9 HE ARG 1 HE ARG 1 2.788 -3.755 1.275
10 HH11 ARG 1 1HH1 ARG 1 -0.097 -2.684 2.903
11 HH12 ARG 1 2HH1 ARG 1 -0.600 -4.283 3.341
12 HH21 ARG 1 1HH2 ARG 1 2.136 -5.865 1.847
13 HH22 ARG 1 2HH2 ARG 1 0.672 -6.092 2.741
14 H SER 2 H SER 2 3.611 1.360 -3.310
15 HA SER 2 HA SER 2 1.547 3.404 -3.323
16 HB2 SER 2 2HB SER 2 2.436 3.962 -5.561
17 HB3 SER 2 3HB SER 2 3.712 3.922 -4.344
18 HG SER 2 HG SER 2 4.520 2.754 -5.989
19 H LYS 3 H LYS 3 2.064 0.181 -4.483
20 HA LYS 3 HA LYS 3 0.023 0.185 -6.475
21 HB2 LYS 3 2HB LYS 3 1.932 -1.431 -6.391
22 HB3 LYS 3 3HB LYS 3 1.177 -2.183 -4.992
23 HG2 LYS 3 2HG LYS 3 -0.396 -3.226 -6.228
24 HG3 LYS 3 3HG LYS 3 -0.518 -1.902 -7.390
25 HD2 LYS 3 2HD LYS 3 2.072 -2.988 -7.658
26 HD3 LYS 3 3HD LYS 3 0.952 -4.351 -7.589
27 HE2 LYS 3 2HE LYS 3 -0.204 -3.657 -9.481
28 HE3 LYS 3 3HE LYS 3 0.371 -1.996 -9.343
29 HZ1 LYS 3 3HZ LYS 3 1.879 -4.369 -10.269
30 HZ2 LYS 3 1HZ LYS 3 2.641 -2.920 -9.843
31 HZ3 LYS 3 2HZ LYS 3 1.539 -2.951 -11.126
32 H ASP 4 H ASP 4 0.100 -0.356 -3.037
33 HA ASP 4 HA ASP 4 -2.444 -1.637 -2.853
34 HB2 ASP 4 2HB ASP 4 -0.325 -0.898 -1.065
35 HB3 ASP 4 3HB ASP 4 -1.859 -0.338 -0.406
36 H LEU 5 H LEU 5 -1.413 1.613 -3.211
37 HA LEU 5 HA LEU 5 -3.483 3.010 -1.959
38 HB2 LEU 5 2HB LEU 5 -1.470 4.087 -2.798
39 HB3 LEU 5 3HB LEU 5 -1.943 3.713 -4.454
40 HG LEU 5 HG LEU 5 -3.923 5.284 -2.971
41 HD11 LEU 5 1HD1 LEU 5 -2.393 7.360 -3.506
42 HD12 LEU 5 2HD1 LEU 5 -1.103 6.194 -3.213
43 HD13 LEU 5 3HD1 LEU 5 -2.296 6.523 -1.956
44 HD21 LEU 5 3HD2 LEU 5 -4.338 5.090 -5.238
45 HD22 LEU 5 1HD2 LEU 5 -2.637 5.266 -5.671
46 HD23 LEU 5 2HD2 LEU 5 -3.560 6.670 -5.134
47 H ARG 6 H ARG 6 -3.486 1.093 -4.808
48 HA ARG 6 HA ARG 6 -5.751 2.298 -6.066
49 HB2 ARG 6 2HB ARG 6 -3.874 0.251 -6.681
50 HB3 ARG 6 3HB ARG 6 -5.485 -0.440 -6.825
51 HG2 ARG 6 2HG ARG 6 -6.117 1.091 -8.482
52 HG3 ARG 6 3HG ARG 6 -4.758 2.160 -8.128
53 HD2 ARG 6 2HD ARG 6 -4.107 -0.608 -8.947
54 HD3 ARG 6 3HD ARG 6 -4.778 0.450 -10.187
55 HE ARG 6 HE ARG 6 -2.170 0.622 -8.982
56 HH11 ARG 6 1HH1 ARG 6 -4.674 2.351 -10.673
57 HH12 ARG 6 2HH1 ARG 6 -3.599 3.556 -11.300
58 HH21 ARG 6 1HH2 ARG 6 -0.744 2.202 -9.801
59 HH22 ARG 6 2HH2 ARG 6 -1.364 3.470 -10.804
60 H HIS 7 H HIS 7 -5.310 0.052 -3.502
61 HA HIS 7 HA HIS 7 -7.863 -1.225 -3.694
62 HB2 HIS 7 2HB HIS 7 -5.851 -2.204 -2.547
63 HB3 HIS 7 3HB HIS 7 -6.079 -1.021 -1.262
64 HD1 HIS 7 HD1 HIS 7 -6.437 -3.050 0.375
65 HD2 HIS 7 HD2 HIS 7 -9.318 -2.648 -2.592
66 HE1 HIS 7 HE1 HIS 7 -8.359 -4.500 1.102
67 H ALA 8 H ALA 8 -6.744 1.768 -2.458
68 HA ALA 8 HA ALA 8 -8.732 2.197 -0.475
69 HB1 ALA 8 1HB ALA 8 -6.682 3.467 -0.439
70 HB2 ALA 8 2HB ALA 8 -7.047 4.164 -2.018
71 HB3 ALA 8 3HB ALA 8 -8.049 4.567 -0.624
72 H PHE 9 H PHE 9 -8.685 2.478 -3.923
73 HA PHE 9 HA PHE 9 -10.697 4.347 -4.366
74 HB2 PHE 9 2HB PHE 9 -9.222 2.511 -5.919
75 HB3 PHE 9 3HB PHE 9 -10.919 2.187 -6.256
76 HD1 PHE 9 HD2 PHE 9 -8.641 5.119 -5.871
77 HD2 PHE 9 HD1 PHE 9 -11.881 3.342 -7.983
78 HE1 PHE 9 HE2 PHE 9 -8.700 7.048 -7.396
79 HE2 PHE 9 HE1 PHE 9 -11.945 5.268 -9.512
80 HZ PHE 9 HZ PHE 9 -10.354 7.125 -9.219
81 H ARG 10 H ARG 10 -10.888 1.008 -3.368
82 HA ARG 10 HA ARG 10 -13.658 0.646 -3.894
83 HB2 ARG 10 2HB ARG 10 -11.903 -0.803 -1.903
84 HB3 ARG 10 3HB ARG 10 -13.464 -1.350 -2.501
85 HG2 ARG 10 2HG ARG 10 -11.311 -0.799 -4.474
86 HG3 ARG 10 3HG ARG 10 -11.211 -2.265 -3.496
87 HD2 ARG 10 2HD ARG 10 -13.878 -1.917 -4.511
88 HD3 ARG 10 3HD ARG 10 -12.710 -1.858 -5.831
89 HE ARG 10 HE ARG 10 -12.062 -4.035 -4.215
90 HH11 ARG 10 1HH1 ARG 10 -14.642 -2.993 -6.308
91 HH12 ARG 10 2HH1 ARG 10 -15.105 -4.601 -6.755
92 HH21 ARG 10 1HH2 ARG 10 -12.662 -6.158 -4.796
93 HH22 ARG 10 2HH2 ARG 10 -13.978 -6.401 -5.894
94 H SER 11 H SER 11 -11.828 1.913 -1.195
95 HA SER 11 HA SER 11 -13.836 1.825 0.768
96 HB2 SER 11 2HB SER 11 -11.311 2.374 1.000
97 HB3 SER 11 3HB SER 11 -11.794 4.031 0.638
98 HG SER 11 HG SER 11 -12.650 2.406 2.798
99 H MET 12 H MET 12 -13.323 3.941 -1.928
100 HA MET 12 HA MET 12 -14.989 6.069 -0.987
101 HB2 MET 12 2HB MET 12 -13.683 5.376 -3.586
102 HB3 MET 12 3HB MET 12 -14.952 6.594 -3.567
103 HG2 MET 12 2HG MET 12 -13.519 7.587 -1.604
104 HG3 MET 12 3HG MET 12 -12.230 6.666 -2.378
105 HE1 MET 12 3HE MET 12 -11.548 9.100 -1.949
106 HE2 MET 12 1HE MET 12 -10.784 9.372 -3.516
107 HE3 MET 12 2HE MET 12 -12.019 10.488 -2.931
108 H PHE 13 H PHE 13 -15.508 3.064 -2.618
109 HA PHE 13 HA PHE 13 -18.029 3.679 -3.778
110 HB2 PHE 13 2HB PHE 13 -16.309 1.351 -3.511
111 HB3 PHE 13 3HB PHE 13 -18.008 0.932 -3.309
112 HD1 PHE 13 HD2 PHE 13 -16.356 3.455 -5.494
113 HD2 PHE 13 HD1 PHE 13 -18.689 -0.097 -5.254
114 HE1 PHE 13 HE2 PHE 13 -16.650 3.487 -7.937
115 HE2 PHE 13 HE1 PHE 13 -18.986 -0.071 -7.697
116 HZ PHE 13 HZ PHE 13 -17.967 1.723 -9.041
117 HA PRO 14 HA PRO 14 -20.787 3.220 -0.389
118 HB2 PRO 14 2HB PRO 14 -22.937 2.049 -1.553
119 HB3 PRO 14 3HB PRO 14 -22.472 3.724 -1.869
120 HG2 PRO 14 2HG PRO 14 -22.047 1.293 -3.533
121 HG3 PRO 14 3HG PRO 14 -22.386 2.958 -4.039
122 HD2 PRO 14 2HD PRO 14 -19.918 1.797 -4.118
123 HD3 PRO 14 3HD PRO 14 -20.231 3.544 -4.064
124 H SEP 15 H SEP 15 -19.663 0.399 -2.065
125 HA SEP 15 HA SEP 15 -21.069 -1.533 -0.410
126 HB2 SEP 15 2HB SEP 15 -19.062 -1.643 -2.652
127 HB3 SEP 15 3HB SEP 15 -18.805 -2.907 -1.476
128 H SER 16 H SER 16 -18.015 0.137 -0.256
129 HA SER 16 HA SER 16 -16.951 -1.323 1.940
130 HB2 SER 16 2HB SER 16 -15.122 -0.020 1.655
131 HB3 SER 16 3HB SER 16 -15.935 0.516 0.185
132 HG SER 16 HG SER 16 -16.524 2.356 1.156
133 H GLU 17 H GLU 17 -19.095 1.408 1.639
134 HA GLU 17 HA GLU 17 -18.888 2.197 4.396
135 HB2 GLU 17 2HB GLU 17 -19.751 3.459 2.141
136 HB3 GLU 17 3HB GLU 17 -21.281 3.019 2.887
137 HG2 GLU 17 2HG GLU 17 -19.105 4.761 3.989
138 HG3 GLU 17 3HG GLU 17 -20.786 5.176 3.662
Start of MODEL 18
1 H1 ARG 1 H ARG 1 4.559 0.584 -2.436
2 HA ARG 1 HA ARG 1 2.793 -0.950 -2.754
3 HB2 ARG 1 2HB ARG 1 1.692 0.287 -0.225
4 HB3 ARG 1 3HB ARG 1 0.864 -0.940 -1.175
5 HG2 ARG 1 2HG ARG 1 1.835 -2.234 0.435
6 HG3 ARG 1 3HG ARG 1 3.085 -2.280 -0.810
7 HD2 ARG 1 2HD ARG 1 4.552 -1.363 0.581
8 HD3 ARG 1 3HD ARG 1 3.487 0.018 0.837
9 HE ARG 1 HE ARG 1 2.893 -0.870 2.858
10 HH11 ARG 1 1HH1 ARG 1 4.371 -3.357 0.922
11 HH12 ARG 1 2HH1 ARG 1 4.403 -4.520 2.206
12 HH21 ARG 1 1HH2 ARG 1 2.930 -2.391 4.557
13 HH22 ARG 1 2HH2 ARG 1 3.582 -3.969 4.273
14 H SER 2 H SER 2 3.005 0.855 -4.445
15 HA SER 2 HA SER 2 0.953 2.889 -4.348
16 HB2 SER 2 2HB SER 2 2.821 3.702 -5.457
17 HB3 SER 2 3HB SER 2 3.147 2.163 -6.254
18 HG SER 2 HG SER 2 1.943 2.772 -7.860
19 H LYS 3 H LYS 3 1.379 -0.283 -5.679
20 HA LYS 3 HA LYS 3 -0.718 -0.129 -7.611
21 HB2 LYS 3 2HB LYS 3 -0.487 -2.583 -7.726
22 HB3 LYS 3 3HB LYS 3 1.064 -1.764 -7.858
23 HG2 LYS 3 2HG LYS 3 1.113 -2.175 -5.255
24 HG3 LYS 3 3HG LYS 3 -0.003 -3.475 -5.679
25 HD2 LYS 3 2HD LYS 3 1.676 -4.733 -6.417
26 HD3 LYS 3 3HD LYS 3 2.202 -3.453 -7.513
27 HE2 LYS 3 2HE LYS 3 2.878 -3.449 -4.583
28 HE3 LYS 3 3HE LYS 3 3.885 -4.258 -5.782
29 HZ1 LYS 3 3HZ LYS 3 3.623 -1.874 -6.911
30 HZ2 LYS 3 1HZ LYS 3 4.876 -2.252 -5.838
31 HZ3 LYS 3 2HZ LYS 3 3.511 -1.419 -5.286
32 H ASP 4 H ASP 4 -0.531 -0.913 -4.221
33 HA ASP 4 HA ASP 4 -3.127 -2.121 -4.070
34 HB2 ASP 4 2HB ASP 4 -0.893 -1.732 -2.319
35 HB3 ASP 4 3HB ASP 4 -2.353 -1.153 -1.520
36 H LEU 5 H LEU 5 -1.922 1.089 -4.088
37 HA LEU 5 HA LEU 5 -3.852 2.432 -2.579
38 HB2 LEU 5 2HB LEU 5 -1.775 3.102 -4.439
39 HB3 LEU 5 3HB LEU 5 -3.209 4.069 -4.776
40 HG LEU 5 HG LEU 5 -1.643 5.229 -3.295
41 HD11 LEU 5 1HD1 LEU 5 -3.619 4.933 -1.281
42 HD12 LEU 5 2HD1 LEU 5 -4.410 4.796 -2.851
43 HD13 LEU 5 3HD1 LEU 5 -3.444 6.222 -2.473
44 HD21 LEU 5 3HD2 LEU 5 -2.176 2.947 -1.395
45 HD22 LEU 5 1HD2 LEU 5 -1.290 4.423 -1.010
46 HD23 LEU 5 2HD2 LEU 5 -0.647 3.294 -2.204
47 H ARG 6 H ARG 6 -4.088 0.879 -5.633
48 HA ARG 6 HA ARG 6 -6.328 2.349 -6.626
49 HB2 ARG 6 2HB ARG 6 -4.769 -0.015 -7.440
50 HB3 ARG 6 3HB ARG 6 -6.460 -0.045 -7.923
51 HG2 ARG 6 2HG ARG 6 -5.324 0.924 -9.723
52 HG3 ARG 6 3HG ARG 6 -6.071 2.278 -8.874
53 HD2 ARG 6 2HD ARG 6 -3.579 1.945 -7.667
54 HD3 ARG 6 3HD ARG 6 -3.283 1.740 -9.393
55 HE ARG 6 HE ARG 6 -4.856 3.988 -9.162
56 HH11 ARG 6 1HH1 ARG 6 -1.740 2.949 -8.009
57 HH12 ARG 6 2HH1 ARG 6 -1.076 4.549 -7.967
58 HH21 ARG 6 1HH2 ARG 6 -3.994 6.100 -9.111
59 HH22 ARG 6 2HH2 ARG 6 -2.360 6.341 -8.593
60 H HIS 7 H HIS 7 -5.912 -0.214 -4.374
61 HA HIS 7 HA HIS 7 -8.542 -1.319 -4.593
62 HB2 HIS 7 2HB HIS 7 -6.424 -1.535 -2.450
63 HB3 HIS 7 3HB HIS 7 -7.957 -2.401 -2.393
64 HD1 HIS 7 HD1 HIS 7 -7.337 -4.763 -2.837
65 HD2 HIS 7 HD2 HIS 7 -5.483 -2.142 -5.474
66 HE1 HIS 7 HE1 HIS 7 -6.138 -6.219 -4.500
67 H ALA 8 H ALA 8 -7.194 1.433 -3.060
68 HA ALA 8 HA ALA 8 -9.030 1.730 -0.925
69 HB1 ALA 8 1HB ALA 8 -6.824 3.174 -1.997
70 HB2 ALA 8 2HB ALA 8 -8.176 4.287 -1.784
71 HB3 ALA 8 3HB ALA 8 -7.591 3.338 -0.417
72 H PHE 9 H PHE 9 -9.224 2.369 -4.321
73 HA PHE 9 HA PHE 9 -11.217 4.323 -4.383
74 HB2 PHE 9 2HB PHE 9 -10.283 2.214 -6.277
75 HB3 PHE 9 3HB PHE 9 -11.801 3.035 -6.627
76 HD1 PHE 9 HD2 PHE 9 -8.437 4.078 -5.380
77 HD2 PHE 9 HD1 PHE 9 -11.583 4.696 -8.180
78 HE1 PHE 9 HE2 PHE 9 -7.188 5.956 -6.363
79 HE2 PHE 9 HE1 PHE 9 -10.338 6.574 -9.169
80 HZ PHE 9 HZ PHE 9 -8.139 7.207 -8.260
81 H ARG 10 H ARG 10 -11.385 0.917 -3.725
82 HA ARG 10 HA ARG 10 -14.159 0.562 -4.192
83 HB2 ARG 10 2HB ARG 10 -12.048 -1.095 -3.585
84 HB3 ARG 10 3HB ARG 10 -12.991 -1.127 -2.102
85 HG2 ARG 10 2HG ARG 10 -14.879 -1.426 -4.105
86 HG3 ARG 10 3HG ARG 10 -13.504 -2.389 -4.650
87 HD2 ARG 10 2HD ARG 10 -14.802 -2.580 -1.933
88 HD3 ARG 10 3HD ARG 10 -15.091 -3.684 -3.277
89 HE ARG 10 HE ARG 10 -12.327 -3.541 -2.705
90 HH11 ARG 10 1HH1 ARG 10 -15.310 -4.842 -1.470
91 HH12 ARG 10 2HH1 ARG 10 -14.547 -6.168 -0.657
92 HH21 ARG 10 1HH2 ARG 10 -11.310 -5.282 -1.640
93 HH22 ARG 10 2HH2 ARG 10 -12.271 -6.417 -0.754
94 H SER 11 H SER 11 -12.315 1.829 -1.534
95 HA SER 11 HA SER 11 -14.367 1.586 0.437
96 HB2 SER 11 2HB SER 11 -12.415 1.870 1.566
97 HB3 SER 11 3HB SER 11 -11.681 2.804 0.262
98 HG SER 11 HG SER 11 -12.019 4.148 2.024
99 H MET 12 H MET 12 -13.607 3.882 -2.043
100 HA MET 12 HA MET 12 -15.096 6.065 -0.962
101 HB2 MET 12 2HB MET 12 -13.522 5.524 -3.333
102 HB3 MET 12 3HB MET 12 -14.997 6.391 -3.738
103 HG2 MET 12 2HG MET 12 -13.714 8.182 -3.298
104 HG3 MET 12 3HG MET 12 -14.210 7.844 -1.642
105 HE1 MET 12 3HE MET 12 -11.661 9.012 -3.608
106 HE2 MET 12 1HE MET 12 -10.108 8.383 -3.058
107 HE3 MET 12 2HE MET 12 -11.066 7.470 -4.224
108 H PHE 13 H PHE 13 -15.883 3.240 -2.797
109 HA PHE 13 HA PHE 13 -18.337 4.161 -3.897
110 HB2 PHE 13 2HB PHE 13 -16.943 1.562 -3.627
111 HB3 PHE 13 3HB PHE 13 -18.693 1.485 -3.798
112 HD1 PHE 13 HD2 PHE 13 -16.145 3.736 -5.323
113 HD2 PHE 13 HD1 PHE 13 -19.179 0.815 -5.942
114 HE1 PHE 13 HE2 PHE 13 -15.915 4.018 -7.757
115 HE2 PHE 13 HE1 PHE 13 -18.953 1.092 -8.377
116 HZ PHE 13 HZ PHE 13 -17.321 2.696 -9.287
117 HA PRO 14 HA PRO 14 -21.120 3.705 -0.527
118 HB2 PRO 14 2HB PRO 14 -23.376 2.848 -1.768
119 HB3 PRO 14 3HB PRO 14 -22.750 4.492 -1.943
120 HG2 PRO 14 2HG PRO 14 -22.585 2.193 -3.820
121 HG3 PRO 14 3HG PRO 14 -22.712 3.927 -4.169
122 HD2 PRO 14 2HD PRO 14 -20.401 2.476 -4.353
123 HD3 PRO 14 3HD PRO 14 -20.528 4.239 -4.186
124 H SEP 15 H SEP 15 -20.300 0.928 -2.442
125 HA SEP 15 HA SEP 15 -21.886 -0.976 -0.924
126 HB2 SEP 15 2HB SEP 15 -21.363 -2.135 -2.873
127 HB3 SEP 15 3HB SEP 15 -20.024 -1.080 -3.247
128 H SER 16 H SER 16 -18.675 0.355 -0.685
129 HA SER 16 HA SER 16 -17.750 -1.381 1.368
130 HB2 SER 16 2HB SER 16 -16.733 0.869 -0.121
131 HB3 SER 16 3HB SER 16 -16.379 1.073 1.594
132 HG SER 16 HG SER 16 -14.856 -0.330 1.309
133 H GLU 17 H GLU 17 -19.546 1.619 1.327
134 HA GLU 17 HA GLU 17 -19.308 1.995 4.190
135 HB2 GLU 17 2HB GLU 17 -20.326 3.544 1.909
136 HB3 GLU 17 3HB GLU 17 -21.268 3.726 3.382
137 HG2 GLU 17 2HG GLU 17 -19.729 5.432 3.549
138 HG3 GLU 17 3HG GLU 17 -18.994 4.155 4.516
Start of MODEL 19
1 H1 ARG 1 H ARG 1 1.939 0.726 1.911
2 HA ARG 1 HA ARG 1 3.634 0.823 0.272
3 HB2 ARG 1 2HB ARG 1 2.331 -1.664 -0.446
4 HB3 ARG 1 3HB ARG 1 2.682 -0.698 -1.873
5 HG2 ARG 1 2HG ARG 1 4.901 -0.998 -1.692
6 HG3 ARG 1 3HG ARG 1 4.876 -0.903 0.070
7 HD2 ARG 1 2HD ARG 1 4.321 -3.154 0.303
8 HD3 ARG 1 3HD ARG 1 3.743 -3.280 -1.358
9 HE ARG 1 HE ARG 1 6.363 -2.735 -1.680
10 HH11 ARG 1 1HH1 ARG 1 4.654 -5.089 0.233
11 HH12 ARG 1 2HH1 ARG 1 5.922 -6.267 0.153
12 HH21 ARG 1 1HH2 ARG 1 8.039 -4.278 -1.793
13 HH22 ARG 1 2HH2 ARG 1 7.847 -5.804 -0.998
14 H SER 2 H SER 2 3.412 1.316 -2.292
15 HA SER 2 HA SER 2 1.492 3.475 -2.400
16 HB2 SER 2 2HB SER 2 3.940 2.717 -3.841
17 HB3 SER 2 3HB SER 2 2.703 3.453 -4.860
18 HG SER 2 HG SER 2 4.070 4.531 -2.653
19 H LYS 3 H LYS 3 1.849 0.277 -3.683
20 HA LYS 3 HA LYS 3 -0.076 0.587 -5.791
21 HB2 LYS 3 2HB LYS 3 1.626 -1.562 -4.728
22 HB3 LYS 3 3HB LYS 3 0.075 -2.111 -5.351
23 HG2 LYS 3 2HG LYS 3 1.456 -0.220 -7.102
24 HG3 LYS 3 3HG LYS 3 2.327 -1.733 -6.835
25 HD2 LYS 3 2HD LYS 3 -0.583 -1.857 -7.456
26 HD3 LYS 3 3HD LYS 3 0.542 -1.492 -8.766
27 HE2 LYS 3 2HE LYS 3 1.724 -3.536 -8.415
28 HE3 LYS 3 3HE LYS 3 0.839 -3.858 -6.924
29 HZ1 LYS 3 3HZ LYS 3 -1.161 -3.656 -8.676
30 HZ2 LYS 3 1HZ LYS 3 -0.411 -5.119 -8.275
31 HZ3 LYS 3 2HZ LYS 3 0.046 -4.291 -9.678
32 H ASP 4 H ASP 4 -0.148 -0.276 -2.428
33 HA ASP 4 HA ASP 4 -2.694 -1.542 -2.427
34 HB2 ASP 4 2HB ASP 4 -0.684 -0.800 -0.480
35 HB3 ASP 4 3HB ASP 4 -2.301 -0.429 0.114
36 H LEU 5 H LEU 5 -1.678 1.729 -2.568
37 HA LEU 5 HA LEU 5 -3.815 3.046 -1.344
38 HB2 LEU 5 2HB LEU 5 -1.624 3.716 -3.085
39 HB3 LEU 5 3HB LEU 5 -3.078 4.589 -3.564
40 HG LEU 5 HG LEU 5 -2.534 4.684 -0.689
41 HD11 LEU 5 1HD1 LEU 5 -0.726 6.404 -1.016
42 HD12 LEU 5 2HD1 LEU 5 -0.554 5.797 -2.662
43 HD13 LEU 5 3HD1 LEU 5 -0.245 4.730 -1.292
44 HD21 LEU 5 3HD2 LEU 5 -4.248 6.043 -1.669
45 HD22 LEU 5 1HD2 LEU 5 -3.112 6.716 -2.839
46 HD23 LEU 5 2HD2 LEU 5 -2.944 7.100 -1.126
47 H ARG 6 H ARG 6 -3.669 1.279 -4.285
48 HA ARG 6 HA ARG 6 -5.884 2.533 -5.585
49 HB2 ARG 6 2HB ARG 6 -4.115 1.244 -6.778
50 HB3 ARG 6 3HB ARG 6 -4.743 -0.227 -6.049
51 HG2 ARG 6 2HG ARG 6 -6.736 -0.119 -7.275
52 HG3 ARG 6 3HG ARG 6 -6.469 1.568 -7.718
53 HD2 ARG 6 2HD ARG 6 -4.553 -0.571 -8.573
54 HD3 ARG 6 3HD ARG 6 -6.036 -0.273 -9.478
55 HE ARG 6 HE ARG 6 -4.810 2.182 -9.166
56 HH11 ARG 6 1HH1 ARG 6 -4.062 -0.880 -10.644
57 HH12 ARG 6 2HH1 ARG 6 -3.061 -0.189 -11.877
58 HH21 ARG 6 1HH2 ARG 6 -3.493 3.105 -10.785
59 HH22 ARG 6 2HH2 ARG 6 -2.737 2.078 -11.956
60 H HIS 7 H HIS 7 -5.543 0.160 -3.121
61 HA HIS 7 HA HIS 7 -8.076 -1.117 -3.497
62 HB2 HIS 7 2HB HIS 7 -6.122 -1.072 -1.197
63 HB3 HIS 7 3HB HIS 7 -7.633 -1.975 -1.147
64 HD1 HIS 7 HD1 HIS 7 -4.946 -1.723 -3.838
65 HD2 HIS 7 HD2 HIS 7 -6.984 -4.556 -1.584
66 HE1 HIS 7 HE1 HIS 7 -4.121 -3.953 -4.656
67 H ALA 8 H ALA 8 -7.031 1.808 -2.052
68 HA ALA 8 HA ALA 8 -9.085 2.128 -0.125
69 HB1 ALA 8 1HB ALA 8 -7.614 4.343 -1.535
70 HB2 ALA 8 2HB ALA 8 -8.362 4.383 0.062
71 HB3 ALA 8 3HB ALA 8 -6.922 3.403 -0.213
72 H PHE 9 H PHE 9 -8.951 2.560 -3.557
73 HA PHE 9 HA PHE 9 -10.973 4.411 -3.989
74 HB2 PHE 9 2HB PHE 9 -9.381 2.944 -5.609
75 HB3 PHE 9 3HB PHE 9 -10.909 2.098 -5.835
76 HD1 PHE 9 HD2 PHE 9 -9.218 5.360 -6.150
77 HD2 PHE 9 HD1 PHE 9 -12.660 3.045 -7.107
78 HE1 PHE 9 HE2 PHE 9 -9.930 7.087 -7.752
79 HE2 PHE 9 HE1 PHE 9 -13.376 4.768 -8.711
80 HZ PHE 9 HZ PHE 9 -12.012 6.793 -9.034
81 H ARG 10 H ARG 10 -11.166 1.036 -3.109
82 HA ARG 10 HA ARG 10 -13.857 0.559 -3.740
83 HB2 ARG 10 2HB ARG 10 -11.752 -0.768 -2.274
84 HB3 ARG 10 3HB ARG 10 -13.284 -0.923 -1.425
85 HG2 ARG 10 2HG ARG 10 -14.260 -2.132 -3.121
86 HG3 ARG 10 3HG ARG 10 -13.164 -1.494 -4.348
87 HD2 ARG 10 2HD ARG 10 -11.318 -2.765 -3.228
88 HD3 ARG 10 3HD ARG 10 -12.542 -3.519 -2.207
89 HE ARG 10 HE ARG 10 -13.169 -4.835 -3.980
90 HH11 ARG 10 1HH1 ARG 10 -11.117 -2.261 -5.112
91 HH12 ARG 10 2HH1 ARG 10 -10.949 -2.921 -6.706
92 HH21 ARG 10 1HH2 ARG 10 -12.955 -5.714 -6.074
93 HH22 ARG 10 2HH2 ARG 10 -11.995 -4.884 -7.252
94 H SER 11 H SER 11 -12.376 2.301 -1.139
95 HA SER 11 HA SER 11 -14.550 2.227 0.682
96 HB2 SER 11 2HB SER 11 -12.209 2.832 1.306
97 HB3 SER 11 3HB SER 11 -12.409 4.352 0.435
98 HG SER 11 HG SER 11 -13.374 5.110 2.126
99 H MET 12 H MET 12 -13.842 4.120 -2.136
100 HA MET 12 HA MET 12 -15.632 6.267 -1.580
101 HB2 MET 12 2HB MET 12 -14.503 5.293 -4.211
102 HB3 MET 12 3HB MET 12 -15.356 6.814 -3.977
103 HG2 MET 12 2HG MET 12 -12.894 6.159 -2.407
104 HG3 MET 12 3HG MET 12 -12.796 6.837 -4.030
105 HE1 MET 12 3HE MET 12 -11.781 9.316 -1.289
106 HE2 MET 12 1HE MET 12 -11.282 8.138 -2.503
107 HE3 MET 12 2HE MET 12 -11.757 9.763 -2.995
108 H PHE 13 H PHE 13 -15.993 3.076 -2.863
109 HA PHE 13 HA PHE 13 -18.448 3.483 -4.235
110 HB2 PHE 13 2HB PHE 13 -16.774 1.188 -3.454
111 HB3 PHE 13 3HB PHE 13 -18.496 0.837 -3.568
112 HD1 PHE 13 HD2 PHE 13 -16.164 2.969 -5.555
113 HD2 PHE 13 HD1 PHE 13 -18.980 -0.222 -5.539
114 HE1 PHE 13 HE2 PHE 13 -15.958 2.780 -7.999
115 HE2 PHE 13 HE1 PHE 13 -18.778 -0.417 -7.984
116 HZ PHE 13 HZ PHE 13 -17.267 1.086 -9.217
117 HA PRO 14 HA PRO 14 -21.394 3.355 -0.977
118 HB2 PRO 14 2HB PRO 14 -23.458 2.025 -2.126
119 HB3 PRO 14 3HB PRO 14 -22.993 3.663 -2.600
120 HG2 PRO 14 2HG PRO 14 -22.460 1.074 -3.961
121 HG3 PRO 14 3HG PRO 14 -22.754 2.676 -4.662
122 HD2 PRO 14 2HD PRO 14 -20.292 1.514 -4.449
123 HD3 PRO 14 3HD PRO 14 -20.608 3.251 -4.637
124 H SEP 15 H SEP 15 -20.129 0.391 -2.249
125 HA SEP 15 HA SEP 15 -21.617 -1.375 -0.484
126 HB2 SEP 15 2HB SEP 15 -18.911 -2.120 -1.786
127 HB3 SEP 15 3HB SEP 15 -20.237 -3.184 -1.390
128 H SER 16 H SER 16 -18.604 0.366 -0.317
129 HA SER 16 HA SER 16 -17.735 -0.815 2.139
130 HB2 SER 16 2HB SER 16 -15.831 0.369 1.811
131 HB3 SER 16 3HB SER 16 -16.500 0.671 0.208
132 HG SER 16 HG SER 16 -16.572 2.345 2.486
133 H GLU 17 H GLU 17 -19.644 1.978 1.244
134 HA GLU 17 HA GLU 17 -19.653 3.075 3.914
135 HB2 GLU 17 2HB GLU 17 -19.841 4.408 1.742
136 HB3 GLU 17 3HB GLU 17 -21.502 3.837 1.660
137 HG2 GLU 17 2HG GLU 17 -21.269 4.824 4.231
138 HG3 GLU 17 3HG GLU 17 -20.344 5.959 3.250
Start of MODEL 20
1 H1 ARG 1 H ARG 1 3.684 1.709 -1.155
2 HA ARG 1 HA ARG 1 2.781 -0.673 -2.403
3 HB2 ARG 1 2HB ARG 1 1.146 0.270 -0.040
4 HB3 ARG 1 3HB ARG 1 0.721 -1.029 -1.147
5 HG2 ARG 1 2HG ARG 1 1.824 -2.489 0.094
6 HG3 ARG 1 3HG ARG 1 3.307 -1.546 -0.062
7 HD2 ARG 1 2HD ARG 1 2.758 -1.815 2.274
8 HD3 ARG 1 3HD ARG 1 2.565 -0.125 1.811
9 HE ARG 1 HE ARG 1 0.140 -1.666 1.659
10 HH11 ARG 1 1HH1 ARG 1 2.202 0.254 3.703
11 HH12 ARG 1 2HH1 ARG 1 0.934 0.678 4.806
12 HH21 ARG 1 1HH2 ARG 1 -1.538 -1.115 3.103
13 HH22 ARG 1 2HH2 ARG 1 -1.192 -0.103 4.464
14 H SER 2 H SER 2 2.990 1.059 -4.021
15 HA SER 2 HA SER 2 0.980 3.149 -3.977
16 HB2 SER 2 2HB SER 2 2.685 2.572 -6.371
17 HB3 SER 2 3HB SER 2 2.126 4.122 -5.745
18 HG SER 2 HG SER 2 4.171 4.110 -5.096
19 H LYS 3 H LYS 3 1.558 0.077 -5.545
20 HA LYS 3 HA LYS 3 -0.516 0.354 -7.496
21 HB2 LYS 3 2HB LYS 3 -0.156 -2.054 -7.890
22 HB3 LYS 3 3HB LYS 3 1.352 -1.148 -7.900
23 HG2 LYS 3 2HG LYS 3 0.934 -2.011 -5.250
24 HG3 LYS 3 3HG LYS 3 0.611 -3.390 -6.304
25 HD2 LYS 3 2HD LYS 3 2.857 -2.448 -7.448
26 HD3 LYS 3 3HD LYS 3 3.135 -1.947 -5.778
27 HE2 LYS 3 2HE LYS 3 2.947 -4.184 -4.993
28 HE3 LYS 3 3HE LYS 3 2.348 -4.748 -6.551
29 HZ1 LYS 3 3HZ LYS 3 4.415 -5.089 -7.224
30 HZ2 LYS 3 1HZ LYS 3 4.976 -4.679 -5.682
31 HZ3 LYS 3 2HZ LYS 3 4.856 -3.492 -6.880
32 H ASP 4 H ASP 4 -0.306 -0.884 -4.232
33 HA ASP 4 HA ASP 4 -2.833 -2.216 -4.256
34 HB2 ASP 4 2HB ASP 4 -0.654 -1.862 -2.417
35 HB3 ASP 4 3HB ASP 4 -2.173 -1.502 -1.600
36 H LEU 5 H LEU 5 -1.835 1.045 -3.907
37 HA LEU 5 HA LEU 5 -3.862 2.096 -2.299
38 HB2 LEU 5 2HB LEU 5 -1.744 3.085 -3.844
39 HB3 LEU 5 3HB LEU 5 -3.191 3.894 -4.444
40 HG LEU 5 HG LEU 5 -3.522 4.234 -1.787
41 HD11 LEU 5 1HD1 LEU 5 -1.610 3.440 -0.842
42 HD12 LEU 5 2HD1 LEU 5 -1.091 5.090 -1.187
43 HD13 LEU 5 3HD1 LEU 5 -0.629 3.776 -2.269
44 HD21 LEU 5 3HD2 LEU 5 -3.463 5.881 -3.747
45 HD22 LEU 5 1HD2 LEU 5 -1.755 6.085 -3.354
46 HD23 LEU 5 2HD2 LEU 5 -2.989 6.479 -2.156
47 H ARG 6 H ARG 6 -3.965 0.869 -5.506
48 HA ARG 6 HA ARG 6 -6.285 2.293 -6.376
49 HB2 ARG 6 2HB ARG 6 -4.395 0.646 -7.576
50 HB3 ARG 6 3HB ARG 6 -5.881 -0.292 -7.651
51 HG2 ARG 6 2HG ARG 6 -6.740 1.001 -9.246
52 HG3 ARG 6 3HG ARG 6 -6.265 2.486 -8.418
53 HD2 ARG 6 2HD ARG 6 -4.143 2.490 -9.396
54 HD3 ARG 6 3HD ARG 6 -4.246 0.787 -9.841
55 HE ARG 6 HE ARG 6 -6.265 2.091 -11.215
56 HH11 ARG 6 1HH1 ARG 6 -2.789 2.180 -11.058
57 HH12 ARG 6 2HH1 ARG 6 -2.597 2.681 -12.705
58 HH21 ARG 6 1HH2 ARG 6 -6.026 2.751 -13.385
59 HH22 ARG 6 2HH2 ARG 6 -4.439 3.007 -14.027
60 H HIS 7 H HIS 7 -5.731 -0.465 -4.401
61 HA HIS 7 HA HIS 7 -8.268 -1.719 -4.783
62 HB2 HIS 7 2HB HIS 7 -6.195 -1.975 -2.600
63 HB3 HIS 7 3HB HIS 7 -7.656 -2.956 -2.677
64 HD1 HIS 7 HD1 HIS 7 -6.735 -5.207 -3.238
65 HD2 HIS 7 HD2 HIS 7 -5.230 -2.225 -5.709
66 HE1 HIS 7 HE1 HIS 7 -5.406 -6.405 -5.005
67 H ALA 8 H ALA 8 -7.169 0.975 -2.975
68 HA ALA 8 HA ALA 8 -9.150 0.921 -0.922
69 HB1 ALA 8 1HB ALA 8 -8.455 3.263 -0.519
70 HB2 ALA 8 2HB ALA 8 -7.101 2.134 -0.568
71 HB3 ALA 8 3HB ALA 8 -7.433 3.173 -1.954
72 H PHE 9 H PHE 9 -9.106 1.945 -4.215
73 HA PHE 9 HA PHE 9 -11.059 3.915 -4.257
74 HB2 PHE 9 2HB PHE 9 -10.141 1.865 -6.233
75 HB3 PHE 9 3HB PHE 9 -11.575 2.818 -6.598
76 HD1 PHE 9 HD2 PHE 9 -8.024 3.194 -5.551
77 HD2 PHE 9 HD1 PHE 9 -11.348 4.884 -7.602
78 HE1 PHE 9 HE2 PHE 9 -6.594 5.030 -6.348
79 HE2 PHE 9 HE1 PHE 9 -9.923 6.722 -8.404
80 HZ PHE 9 HZ PHE 9 -7.543 6.798 -7.775
81 H ARG 10 H ARG 10 -11.374 0.442 -3.967
82 HA ARG 10 HA ARG 10 -14.155 0.287 -4.488
83 HB2 ARG 10 2HB ARG 10 -14.032 -1.948 -3.700
84 HB3 ARG 10 3HB ARG 10 -12.501 -1.629 -4.505
85 HG2 ARG 10 2HG ARG 10 -11.680 -2.600 -2.644
86 HG3 ARG 10 3HG ARG 10 -11.814 -0.957 -2.014
87 HD2 ARG 10 2HD ARG 10 -14.252 -1.759 -1.407
88 HD3 ARG 10 3HD ARG 10 -13.496 -3.351 -1.467
89 HE ARG 10 HE ARG 10 -12.052 -1.446 0.129
90 HH11 ARG 10 1HH1 ARG 10 -14.624 -3.792 0.099
91 HH12 ARG 10 2HH1 ARG 10 -14.551 -4.087 1.805
92 HH21 ARG 10 1HH2 ARG 10 -11.945 -1.826 2.375
93 HH22 ARG 10 2HH2 ARG 10 -13.027 -2.968 3.099
94 H SER 11 H SER 11 -12.267 0.968 -1.623
95 HA SER 11 HA SER 11 -14.415 0.668 0.232
96 HB2 SER 11 2HB SER 11 -12.359 0.477 1.283
97 HB3 SER 11 3HB SER 11 -11.642 1.789 0.348
98 HG SER 11 HG SER 11 -12.527 3.244 1.671
99 H MET 12 H MET 12 -13.288 3.222 -1.824
100 HA MET 12 HA MET 12 -14.578 5.365 -0.450
101 HB2 MET 12 2HB MET 12 -12.961 5.023 -2.827
102 HB3 MET 12 3HB MET 12 -14.314 6.104 -3.137
103 HG2 MET 12 2HG MET 12 -13.039 7.709 -2.292
104 HG3 MET 12 3HG MET 12 -13.364 6.987 -0.718
105 HE1 MET 12 3HE MET 12 -9.904 8.450 -1.160
106 HE2 MET 12 1HE MET 12 -11.489 8.553 -0.394
107 HE3 MET 12 2HE MET 12 -10.207 7.605 0.358
108 H PHE 13 H PHE 13 -15.579 2.985 -2.758
109 HA PHE 13 HA PHE 13 -17.869 4.348 -3.746
110 HB2 PHE 13 2HB PHE 13 -16.684 1.683 -3.990
111 HB3 PHE 13 3HB PHE 13 -18.444 1.663 -4.010
112 HD1 PHE 13 HD2 PHE 13 -15.976 4.098 -5.377
113 HD2 PHE 13 HD1 PHE 13 -19.132 1.358 -6.183
114 HE1 PHE 13 HE2 PHE 13 -15.952 4.771 -7.743
115 HE2 PHE 13 HE1 PHE 13 -19.112 2.026 -8.551
116 HZ PHE 13 HZ PHE 13 -17.521 3.736 -9.333
117 HA PRO 14 HA PRO 14 -20.842 3.662 -0.585
118 HB2 PRO 14 2HB PRO 14 -23.110 3.243 -2.008
119 HB3 PRO 14 3HB PRO 14 -22.320 4.820 -1.913
120 HG2 PRO 14 2HG PRO 14 -22.271 2.805 -4.105
121 HG3 PRO 14 3HG PRO 14 -22.273 4.575 -4.203
122 HD2 PRO 14 2HD PRO 14 -20.065 3.014 -4.542
123 HD3 PRO 14 3HD PRO 14 -20.037 4.725 -4.068
124 H SEP 15 H SEP 15 -20.234 1.150 -2.915
125 HA SEP 15 HA SEP 15 -22.044 -0.797 -1.738
126 HB2 SEP 15 2HB SEP 15 -21.052 -0.826 -4.185
127 HB3 SEP 15 3HB SEP 15 -19.579 -1.462 -3.499
128 H SER 16 H SER 16 -18.718 0.130 -1.264
129 HA SER 16 HA SER 16 -18.232 -1.971 0.667
130 HB2 SER 16 2HB SER 16 -16.470 -1.034 -0.905
131 HB3 SER 16 3HB SER 16 -16.473 0.419 0.095
132 HG SER 16 HG SER 16 -15.476 -0.632 1.650
133 H GLU 17 H GLU 17 -19.236 1.346 0.643
134 HA GLU 17 HA GLU 17 -18.650 1.845 3.410
135 HB2 GLU 17 2HB GLU 17 -19.944 3.323 1.187
136 HB3 GLU 17 3HB GLU 17 -20.419 3.776 2.818
137 HG2 GLU 17 2HG GLU 17 -17.524 3.555 2.171
138 HG3 GLU 17 3HG GLU 17 -18.425 4.962 1.611
Contact the webmaster for help, if required. Monday, June 3, 2024 11:11:40 AM GMT (wattos1)