Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
592916 | 2n16 RC | 25548 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 1.916 0.944 -1.739
3 HB2 SER 1 HB2 SER 1 4.154 0.255 -1.779
4 HB3 SER 1 HB3 SER 1 3.828 0.433 -0.056
5 HG SER 1 HG SER 1 3.614 -1.780 0.113
6 H MET 2 H MET 2 2.705 -0.368 -3.672
7 HA MET 2 HA MET 2 0.679 -2.139 -4.466
8 HB2 MET 2 HB2 MET 2 2.254 -0.727 -5.920
9 HB3 MET 2 HB3 MET 2 3.409 -2.039 -5.732
10 HG2 MET 2 HG2 MET 2 2.348 -2.464 -7.762
11 HG3 MET 2 HG3 MET 2 1.585 -3.566 -6.618
12 HE1 MET 2 HE1 MET 2 0.024 -2.214 -9.681
13 HE2 MET 2 HE2 MET 2 0.258 -3.722 -8.796
14 HE3 MET 2 HE3 MET 2 -1.341 -2.978 -8.866
15 H HIS 3 H HIS 3 0.346 -4.146 -3.796
16 HA HIS 3 HA HIS 3 2.494 -5.690 -2.616
17 HB2 HIS 3 HB2 HIS 3 -0.470 -5.903 -2.752
18 HB3 HIS 3 HB3 HIS 3 0.436 -7.398 -2.541
19 HD1 HIS 3 HD1 HIS 3 1.108 -4.008 -0.964
20 HD2 HIS 3 HD2 HIS 3 0.129 -7.900 0.109
21 HE1 HIS 3 HE1 HIS 3 1.174 -4.049 1.550
22 HA PRO 4 HA PRO 4 3.469 -8.274 -6.023
23 HB2 PRO 4 HB2 PRO 4 3.758 -10.708 -4.853
24 HB3 PRO 4 HB3 PRO 4 4.921 -9.394 -4.639
25 HG2 PRO 4 HG2 PRO 4 2.713 -10.284 -2.824
26 HG3 PRO 4 HG3 PRO 4 4.376 -9.820 -2.419
27 HD2 PRO 4 HD2 PRO 4 2.276 -8.139 -2.104
28 HD3 PRO 4 HD3 PRO 4 3.904 -7.566 -2.519
29 H GLY 5 H GLY 5 1.156 -7.895 -6.780
30 HA2 GLY 5 HA2 GLY 5 -0.565 -10.243 -6.466
31 HA3 GLY 5 HA3 GLY 5 -1.029 -8.708 -7.184
32 H HIS 6 H HIS 6 1.355 -8.593 -8.886
33 HA HIS 6 HA HIS 6 0.304 -10.049 -11.109
34 HB2 HIS 6 HB2 HIS 6 1.371 -7.836 -11.360
35 HB3 HIS 6 HB3 HIS 6 2.910 -8.532 -10.863
36 HD1 HIS 6 HD1 HIS 6 0.879 -10.637 -13.108
37 HD2 HIS 6 HD2 HIS 6 3.873 -7.777 -13.455
38 HE1 HIS 6 HE1 HIS 6 1.741 -10.848 -15.461
39 H LEU 7 H LEU 7 3.023 -10.452 -8.920
40 HA LEU 7 HA LEU 7 4.093 -12.692 -10.403
41 HB2 LEU 7 HB2 LEU 7 5.702 -12.847 -8.546
42 HB3 LEU 7 HB3 LEU 7 5.639 -11.242 -9.272
43 HG LEU 7 HG LEU 7 3.845 -11.265 -7.074
44 HD11 LEU 7 HD11 LEU 7 6.240 -12.891 -6.663
45 HD12 LEU 7 HD12 LEU 7 4.755 -12.793 -5.718
46 HD13 LEU 7 HD13 LEU 7 6.031 -11.600 -5.480
47 HD21 LEU 7 HD21 LEU 7 5.982 -9.786 -6.279
48 HD22 LEU 7 HD22 LEU 7 4.704 -9.210 -7.351
49 HD23 LEU 7 HD23 LEU 7 6.215 -9.823 -8.027
50 H LYS 8 H LYS 8 1.639 -12.228 -8.148
51 HA LYS 8 HA LYS 8 1.622 -14.245 -6.370
52 HB2 LYS 8 HB2 LYS 8 -0.736 -14.217 -6.404
53 HB3 LYS 8 HB3 LYS 8 -0.253 -12.606 -6.918
54 HG2 LYS 8 HG2 LYS 8 -1.821 -13.006 -8.496
55 HG3 LYS 8 HG3 LYS 8 -0.443 -13.745 -9.315
56 HD2 LYS 8 HD2 LYS 8 -1.212 -15.865 -8.986
57 HD3 LYS 8 HD3 LYS 8 -2.011 -15.456 -7.466
58 HE2 LYS 8 HE2 LYS 8 -3.755 -15.892 -8.978
59 HE3 LYS 8 HE3 LYS 8 -3.666 -14.135 -8.875
60 HZ1 LYS 8 HZ1 LYS 8 -2.131 -14.382 -10.914
61 HZ2 LYS 8 HZ2 LYS 8 -3.804 -14.504 -11.129
62 HZ3 LYS 8 HZ3 LYS 8 -2.852 -15.902 -11.084
63 H GLY 9 H GLY 9 1.309 -14.590 -9.842
64 HA2 GLY 9 HA2 GLY 9 0.423 -17.263 -9.919
65 HA3 GLY 9 HA3 GLY 9 1.290 -16.437 -11.204
66 H ARG 10 H ARG 10 3.115 -17.393 -11.771
67 HA ARG 10 HA ARG 10 4.353 -19.335 -10.023
68 HB2 ARG 10 HB2 ARG 10 4.103 -19.782 -12.434
69 HB3 ARG 10 HB3 ARG 10 5.148 -18.414 -12.790
70 HG2 ARG 10 HG2 ARG 10 6.672 -20.086 -12.937
71 HG3 ARG 10 HG3 ARG 10 6.807 -19.739 -11.212
72 HD2 ARG 10 HD2 ARG 10 5.439 -21.589 -10.643
73 HD3 ARG 10 HD3 ARG 10 4.938 -21.820 -12.318
74 HE ARG 10 HE ARG 10 6.884 -22.974 -12.714
75 HH11 ARG 10 HH11 ARG 10 7.100 -21.338 -9.649
76 HH12 ARG 10 HH12 ARG 10 8.564 -22.136 -9.178
77 HH21 ARG 10 HH21 ARG 10 8.811 -24.032 -12.105
78 HH22 ARG 10 HH22 ARG 10 9.537 -23.668 -10.576
79 H GLU 11 H GLU 11 5.020 -16.115 -11.240
80 HA GLU 11 HA GLU 11 7.713 -15.875 -10.615
81 HB2 GLU 11 HB2 GLU 11 5.449 -14.000 -10.952
82 HB3 GLU 11 HB3 GLU 11 6.833 -13.379 -10.063
83 HG2 GLU 11 HG2 GLU 11 6.841 -12.927 -12.523
84 HG3 GLU 11 HG3 GLU 11 8.285 -13.720 -11.895
85 H ILE 12 H ILE 12 4.996 -16.121 -8.528
86 HA ILE 12 HA ILE 12 5.744 -14.781 -6.250
87 HB ILE 12 HB ILE 12 3.622 -16.055 -6.540
88 HG12 ILE 12 HG12 ILE 12 5.085 -16.844 -4.018
89 HG13 ILE 12 HG13 ILE 12 4.498 -15.212 -4.321
90 HG21 ILE 12 HG21 ILE 12 4.982 -18.140 -7.302
91 HG22 ILE 12 HG22 ILE 12 5.035 -18.502 -5.578
92 HG23 ILE 12 HG23 ILE 12 3.482 -18.353 -6.399
93 HD11 ILE 12 HD11 ILE 12 2.579 -17.464 -4.557
94 HD12 ILE 12 HD12 ILE 12 3.089 -16.949 -2.949
95 HD13 ILE 12 HD13 ILE 12 2.317 -15.799 -4.039
96 H GLY 13 H GLY 13 7.180 -17.609 -7.645
97 HA2 GLY 13 HA2 GLY 13 8.428 -18.802 -5.483
98 HA3 GLY 13 HA3 GLY 13 9.100 -18.750 -7.106
99 H MET 14 H MET 14 9.336 -15.865 -7.194
100 HA MET 14 HA MET 14 11.864 -15.639 -5.832
101 HB2 MET 14 HB2 MET 14 10.334 -13.951 -7.773
102 HB3 MET 14 HB3 MET 14 11.665 -13.237 -6.872
103 HG2 MET 14 HG2 MET 14 12.081 -15.799 -8.338
104 HG3 MET 14 HG3 MET 14 12.070 -14.274 -9.219
105 HE1 MET 14 HE1 MET 14 15.811 -15.439 -8.911
106 HE2 MET 14 HE2 MET 14 14.777 -16.655 -8.160
107 HE3 MET 14 HE3 MET 14 14.277 -15.878 -9.663
108 H TRP 15 H TRP 15 8.607 -14.692 -5.249
109 HA TRP 15 HA TRP 15 8.829 -12.429 -3.703
110 HB2 TRP 15 HB2 TRP 15 6.701 -13.596 -4.348
111 HB3 TRP 15 HB3 TRP 15 7.014 -14.761 -3.065
112 HD1 TRP 15 HD1 TRP 15 7.769 -11.089 -2.409
113 HE1 TRP 15 HE1 TRP 15 6.087 -10.188 -0.681
114 HE3 TRP 15 HE3 TRP 15 4.594 -15.091 -2.201
115 HZ2 TRP 15 HZ2 TRP 15 3.728 -11.059 0.601
116 HZ3 TRP 15 HZ3 TRP 15 2.649 -14.977 -0.699
117 HH2 TRP 15 HH2 TRP 15 2.227 -13.002 0.673
118 H TYR 16 H TYR 16 8.738 -15.746 -2.383
119 HA TYR 16 HA TYR 16 9.394 -15.140 0.227
120 HB2 TYR 16 HB2 TYR 16 8.911 -17.444 -1.144
121 HB3 TYR 16 HB3 TYR 16 10.628 -17.615 -0.798
122 HD1 TYR 16 HD1 TYR 16 7.559 -16.493 1.032
123 HD2 TYR 16 HD2 TYR 16 11.131 -18.803 1.104
124 HE1 TYR 16 HE1 TYR 16 7.018 -17.247 3.310
125 HE2 TYR 16 HE2 TYR 16 10.599 -19.565 3.382
126 HH TYR 16 HH TYR 16 9.257 -18.799 5.312
127 H ALA 17 H ALA 17 11.641 -16.108 -2.366
128 HA ALA 17 HA ALA 17 14.015 -15.917 -0.959
129 HB1 ALA 17 HB1 ALA 17 13.530 -16.694 -3.391
130 HB2 ALA 17 HB2 ALA 17 13.894 -15.019 -3.806
131 HB3 ALA 17 HB3 ALA 17 15.105 -16.009 -2.992
132 H LYS 18 H LYS 18 12.046 -13.381 -2.354
133 HA LYS 18 HA LYS 18 12.120 -11.114 -2.197
134 HB2 LYS 18 HB2 LYS 18 12.543 -11.908 0.276
135 HB3 LYS 18 HB3 LYS 18 14.159 -11.278 -0.013
136 HG2 LYS 18 HG2 LYS 18 13.301 -9.089 -0.447
137 HG3 LYS 18 HG3 LYS 18 11.639 -9.680 -0.400
138 HD2 LYS 18 HD2 LYS 18 13.529 -9.852 1.941
139 HD3 LYS 18 HD3 LYS 18 12.427 -8.498 1.679
140 HE2 LYS 18 HE2 LYS 18 10.633 -10.398 1.487
141 HE3 LYS 18 HE3 LYS 18 11.825 -11.335 2.387
142 HZ1 LYS 18 HZ1 LYS 18 9.987 -9.819 3.548
143 HZ2 LYS 18 HZ2 LYS 18 11.233 -8.682 3.419
144 HZ3 LYS 18 HZ3 LYS 18 11.495 -10.133 4.248
145 H LYS 19 H LYS 19 13.682 -12.119 -4.167
146 HA LYS 19 HA LYS 19 16.223 -10.652 -3.996
147 HB2 LYS 19 HB2 LYS 19 15.928 -13.191 -4.717
148 HB3 LYS 19 HB3 LYS 19 15.594 -12.461 -6.282
149 HG2 LYS 19 HG2 LYS 19 17.738 -11.492 -6.403
150 HG3 LYS 19 HG3 LYS 19 18.060 -11.811 -4.697
151 HD2 LYS 19 HD2 LYS 19 18.204 -14.162 -5.089
152 HD3 LYS 19 HD3 LYS 19 17.618 -13.978 -6.744
153 HE2 LYS 19 HE2 LYS 19 20.233 -12.963 -5.636
154 HE3 LYS 19 HE3 LYS 19 20.018 -14.321 -6.738
155 HZ1 LYS 19 HZ1 LYS 19 20.229 -12.883 -8.391
156 HZ2 LYS 19 HZ2 LYS 19 20.234 -11.562 -7.334
157 HZ3 LYS 19 HZ3 LYS 19 18.769 -12.165 -7.927
158 H GLN 20 H GLN 20 16.939 -9.720 -6.177
159 HA GLN 20 HA GLN 20 15.273 -7.628 -6.895
160 HB2 GLN 20 HB2 GLN 20 17.667 -7.607 -7.343
161 HB3 GLN 20 HB3 GLN 20 17.484 -8.911 -8.508
162 HG2 GLN 20 HG2 GLN 20 15.944 -6.402 -8.920
163 HG3 GLN 20 HG3 GLN 20 17.671 -6.412 -9.274
164 HE21 GLN 20 HE12 GLN 20 18.285 -8.558 -10.497
165 HE22 GLN 20 HE22 GLN 20 17.309 -8.879 -11.886
Start of MODEL 2
1 H1 SER 1 H SER 1 -0.605 -1.659 -9.620
2 HA SER 1 HA SER 1 -1.056 -2.823 -7.234
3 HB2 SER 1 HB2 SER 1 -0.721 -3.930 -9.531
4 HB3 SER 1 HB3 SER 1 0.986 -4.028 -9.096
5 HG SER 1 HG SER 1 -1.141 -5.080 -7.538
6 H MET 2 H MET 2 -0.119 -2.749 -5.312
7 HA MET 2 HA MET 2 2.677 -1.942 -5.103
8 HB2 MET 2 HB2 MET 2 0.384 -2.074 -3.170
9 HB3 MET 2 HB3 MET 2 2.037 -1.952 -2.583
10 HG2 MET 2 HG2 MET 2 1.063 -0.018 -4.630
11 HG3 MET 2 HG3 MET 2 0.595 0.185 -2.943
12 HE1 MET 2 HE1 MET 2 3.484 1.719 -1.262
13 HE2 MET 2 HE2 MET 2 1.924 2.236 -1.903
14 HE3 MET 2 HE3 MET 2 2.061 0.698 -1.050
15 H HIS 3 H HIS 3 0.570 -4.427 -3.645
16 HA HIS 3 HA HIS 3 2.786 -5.977 -2.718
17 HB2 HIS 3 HB2 HIS 3 -0.172 -6.229 -2.698
18 HB3 HIS 3 HB3 HIS 3 0.749 -7.724 -2.567
19 HD1 HIS 3 HD1 HIS 3 -0.844 -5.472 -0.455
20 HD2 HIS 3 HD2 HIS 3 2.952 -7.161 -0.429
21 HE1 HIS 3 HE1 HIS 3 -0.038 -5.277 1.919
22 HA PRO 4 HA PRO 4 3.659 -8.556 -6.157
23 HB2 PRO 4 HB2 PRO 4 4.053 -10.977 -4.993
24 HB3 PRO 4 HB3 PRO 4 5.197 -9.639 -4.837
25 HG2 PRO 4 HG2 PRO 4 3.092 -10.566 -2.920
26 HG3 PRO 4 HG3 PRO 4 4.762 -10.065 -2.592
27 HD2 PRO 4 HD2 PRO 4 2.643 -8.428 -2.188
28 HD3 PRO 4 HD3 PRO 4 4.238 -7.822 -2.679
29 H GLY 5 H GLY 5 1.345 -8.252 -6.867
30 HA2 GLY 5 HA2 GLY 5 -0.348 -10.600 -6.426
31 HA3 GLY 5 HA3 GLY 5 -0.842 -9.095 -7.189
32 H HIS 6 H HIS 6 1.512 -9.038 -8.946
33 HA HIS 6 HA HIS 6 0.413 -10.587 -11.087
34 HB2 HIS 6 HB2 HIS 6 1.619 -8.297 -11.202
35 HB3 HIS 6 HB3 HIS 6 3.102 -9.246 -11.177
36 HD1 HIS 6 HD1 HIS 6 3.865 -10.205 -13.356
37 HD2 HIS 6 HD2 HIS 6 -0.066 -8.870 -13.503
38 HE1 HIS 6 HE1 HIS 6 3.188 -10.374 -15.772
39 H LEU 7 H LEU 7 3.232 -10.841 -8.993
40 HA LEU 7 HA LEU 7 4.262 -13.145 -10.404
41 HB2 LEU 7 HB2 LEU 7 5.951 -13.181 -8.600
42 HB3 LEU 7 HB3 LEU 7 5.852 -11.637 -9.444
43 HG LEU 7 HG LEU 7 4.152 -11.451 -7.197
44 HD11 LEU 7 HD11 LEU 7 6.326 -11.752 -5.608
45 HD12 LEU 7 HD12 LEU 7 6.527 -13.107 -6.719
46 HD13 LEU 7 HD13 LEU 7 5.042 -12.948 -5.782
47 HD21 LEU 7 HD21 LEU 7 5.932 -9.896 -8.517
48 HD22 LEU 7 HD22 LEU 7 6.828 -10.243 -7.037
49 HD23 LEU 7 HD23 LEU 7 5.233 -9.495 -6.948
50 H LYS 8 H LYS 8 1.914 -12.590 -8.059
51 HA LYS 8 HA LYS 8 2.013 -14.502 -6.174
52 HB2 LYS 8 HB2 LYS 8 -0.345 -14.516 -6.102
53 HB3 LYS 8 HB3 LYS 8 0.085 -12.928 -6.724
54 HG2 LYS 8 HG2 LYS 8 -1.543 -13.438 -8.205
55 HG3 LYS 8 HG3 LYS 8 -0.190 -14.200 -9.044
56 HD2 LYS 8 HD2 LYS 8 -0.915 -16.306 -8.583
57 HD3 LYS 8 HD3 LYS 8 -1.627 -15.839 -7.037
58 HE2 LYS 8 HE2 LYS 8 -3.442 -16.384 -8.439
59 HE3 LYS 8 HE3 LYS 8 -3.397 -14.622 -8.381
60 HZ1 LYS 8 HZ1 LYS 8 -1.958 -15.995 -10.536
61 HZ2 LYS 8 HZ2 LYS 8 -2.702 -14.476 -10.536
62 HZ3 LYS 8 HZ3 LYS 8 -3.643 -15.879 -10.639
63 H GLY 9 H GLY 9 1.546 -15.052 -9.602
64 HA2 GLY 9 HA2 GLY 9 0.704 -17.737 -9.489
65 HA3 GLY 9 HA3 GLY 9 1.507 -16.974 -10.855
66 H ARG 10 H ARG 10 3.337 -17.913 -11.437
67 HA ARG 10 HA ARG 10 4.665 -19.751 -9.643
68 HB2 ARG 10 HB2 ARG 10 4.631 -19.226 -12.522
69 HB3 ARG 10 HB3 ARG 10 6.236 -19.590 -11.902
70 HG2 ARG 10 HG2 ARG 10 5.459 -21.676 -12.470
71 HG3 ARG 10 HG3 ARG 10 5.050 -21.596 -10.755
72 HD2 ARG 10 HD2 ARG 10 3.142 -22.455 -11.863
73 HD3 ARG 10 HD3 ARG 10 2.772 -20.781 -11.452
74 HE ARG 10 HE ARG 10 3.826 -20.810 -14.031
75 HH11 ARG 10 HH11 ARG 10 1.020 -21.974 -12.330
76 HH12 ARG 10 HH12 ARG 10 -0.015 -21.893 -13.717
77 HH21 ARG 10 HH21 ARG 10 2.473 -20.699 -15.864
78 HH22 ARG 10 HH22 ARG 10 0.812 -21.169 -15.727
79 H GLU 11 H GLU 11 5.250 -16.591 -11.056
80 HA GLU 11 HA GLU 11 7.954 -16.283 -10.518
81 HB2 GLU 11 HB2 GLU 11 5.654 -14.446 -10.870
82 HB3 GLU 11 HB3 GLU 11 7.080 -13.771 -10.095
83 HG2 GLU 11 HG2 GLU 11 6.992 -13.445 -12.554
84 HG3 GLU 11 HG3 GLU 11 8.441 -14.269 -11.981
85 H ILE 12 H ILE 12 5.298 -16.444 -8.345
86 HA ILE 12 HA ILE 12 6.088 -14.969 -6.168
87 HB ILE 12 HB ILE 12 3.978 -16.275 -6.314
88 HG12 ILE 12 HG12 ILE 12 5.445 -17.043 -3.800
89 HG13 ILE 12 HG13 ILE 12 5.055 -15.363 -4.152
90 HG21 ILE 12 HG21 ILE 12 5.503 -18.661 -5.339
91 HG22 ILE 12 HG22 ILE 12 3.872 -18.577 -6.005
92 HG23 ILE 12 HG23 ILE 12 5.268 -18.377 -7.064
93 HD11 ILE 12 HD11 ILE 12 2.897 -15.633 -3.637
94 HD12 ILE 12 HD12 ILE 12 2.804 -17.218 -4.407
95 HD13 ILE 12 HD13 ILE 12 3.465 -17.065 -2.779
96 H GLY 13 H GLY 13 7.527 -17.855 -7.439
97 HA2 GLY 13 HA2 GLY 13 8.854 -18.901 -5.250
98 HA3 GLY 13 HA3 GLY 13 9.478 -18.936 -6.892
99 H MET 14 H MET 14 9.671 -16.061 -7.158
100 HA MET 14 HA MET 14 12.233 -15.721 -5.885
101 HB2 MET 14 HB2 MET 14 10.616 -13.997 -7.758
102 HB3 MET 14 HB3 MET 14 12.160 -13.484 -7.090
103 HG2 MET 14 HG2 MET 14 11.958 -16.096 -8.515
104 HG3 MET 14 HG3 MET 14 12.048 -14.595 -9.434
105 HE1 MET 14 HE1 MET 14 13.928 -12.929 -9.354
106 HE2 MET 14 HE2 MET 14 14.072 -12.773 -7.603
107 HE3 MET 14 HE3 MET 14 15.494 -13.156 -8.575
108 H TRP 15 H TRP 15 8.979 -14.781 -5.268
109 HA TRP 15 HA TRP 15 9.214 -12.426 -3.867
110 HB2 TRP 15 HB2 TRP 15 7.077 -13.606 -4.373
111 HB3 TRP 15 HB3 TRP 15 7.444 -14.753 -3.087
112 HD1 TRP 15 HD1 TRP 15 8.166 -11.050 -2.539
113 HE1 TRP 15 HE1 TRP 15 6.551 -10.145 -0.750
114 HE3 TRP 15 HE3 TRP 15 5.097 -15.114 -2.087
115 HZ2 TRP 15 HZ2 TRP 15 4.278 -11.037 0.666
116 HZ3 TRP 15 HZ3 TRP 15 3.226 -15.007 -0.492
117 HH2 TRP 15 HH2 TRP 15 2.827 -13.011 0.855
118 H TYR 16 H TYR 16 9.201 -15.659 -2.349
119 HA TYR 16 HA TYR 16 9.919 -14.890 0.201
120 HB2 TYR 16 HB2 TYR 16 9.412 -17.273 -0.995
121 HB3 TYR 16 HB3 TYR 16 11.147 -17.409 -0.734
122 HD1 TYR 16 HD1 TYR 16 8.141 -16.257 1.177
123 HD2 TYR 16 HD2 TYR 16 11.794 -18.437 1.219
124 HE1 TYR 16 HE1 TYR 16 7.732 -16.884 3.519
125 HE2 TYR 16 HE2 TYR 16 11.395 -19.071 3.562
126 HH TYR 16 HH TYR 16 9.926 -17.895 5.561
127 H ALA 17 H ALA 17 12.088 -15.908 -2.433
128 HA ALA 17 HA ALA 17 14.509 -15.649 -1.107
129 HB1 ALA 17 HB1 ALA 17 13.970 -16.531 -3.483
130 HB2 ALA 17 HB2 ALA 17 14.259 -14.864 -3.983
131 HB3 ALA 17 HB3 ALA 17 15.535 -15.777 -3.178
132 H LYS 18 H LYS 18 12.531 -13.190 -2.673
133 HA LYS 18 HA LYS 18 12.625 -10.917 -2.684
134 HB2 LYS 18 HB2 LYS 18 12.888 -11.646 -0.110
135 HB3 LYS 18 HB3 LYS 18 14.422 -10.813 -0.324
136 HG2 LYS 18 HG2 LYS 18 12.006 -9.416 -1.296
137 HG3 LYS 18 HG3 LYS 18 12.190 -9.581 0.452
138 HD2 LYS 18 HD2 LYS 18 14.643 -8.759 -0.082
139 HD3 LYS 18 HD3 LYS 18 13.855 -8.079 -1.508
140 HE2 LYS 18 HE2 LYS 18 12.675 -7.638 1.202
141 HE3 LYS 18 HE3 LYS 18 14.051 -6.669 0.679
142 HZ1 LYS 18 HZ1 LYS 18 12.527 -6.398 -1.439
143 HZ2 LYS 18 HZ2 LYS 18 12.371 -5.383 -0.095
144 HZ3 LYS 18 HZ3 LYS 18 11.302 -6.677 -0.306
145 H LYS 19 H LYS 19 14.741 -12.475 -4.026
146 HA LYS 19 HA LYS 19 17.270 -11.344 -3.759
147 HB2 LYS 19 HB2 LYS 19 15.874 -12.482 -6.182
148 HB3 LYS 19 HB3 LYS 19 17.571 -12.021 -6.174
149 HG2 LYS 19 HG2 LYS 19 17.873 -13.619 -4.247
150 HG3 LYS 19 HG3 LYS 19 16.240 -14.197 -4.587
151 HD2 LYS 19 HD2 LYS 19 17.411 -15.670 -5.870
152 HD3 LYS 19 HD3 LYS 19 17.234 -14.367 -7.048
153 HE2 LYS 19 HE2 LYS 19 19.438 -13.559 -6.577
154 HE3 LYS 19 HE3 LYS 19 19.611 -14.671 -5.220
155 HZ1 LYS 19 HZ1 LYS 19 20.094 -16.384 -6.572
156 HZ2 LYS 19 HZ2 LYS 19 20.550 -15.168 -7.655
157 HZ3 LYS 19 HZ3 LYS 19 19.027 -15.891 -7.789
158 H GLN 20 H GLN 20 18.304 -10.031 -5.637
159 HA GLN 20 HA GLN 20 16.589 -7.984 -6.749
160 HB2 GLN 20 HB2 GLN 20 18.447 -7.480 -4.468
161 HB3 GLN 20 HB3 GLN 20 18.281 -6.241 -5.705
162 HG2 GLN 20 HG2 GLN 20 15.822 -6.286 -5.322
163 HG3 GLN 20 HG3 GLN 20 16.105 -7.383 -3.972
164 HE21 GLN 20 HE12 GLN 20 14.836 -5.269 -3.237
165 HE22 GLN 20 HE22 GLN 20 15.845 -4.100 -2.462
Start of MODEL 3
1 H1 SER 1 H SER 1 3.830 2.099 -5.917
2 HA SER 1 HA SER 1 4.818 -0.099 -7.424
3 HB2 SER 1 HB2 SER 1 6.917 0.170 -6.397
4 HB3 SER 1 HB3 SER 1 6.203 0.602 -4.843
5 HG SER 1 HG SER 1 6.891 -1.493 -4.676
6 H MET 2 H MET 2 3.943 -2.100 -6.747
7 HA MET 2 HA MET 2 2.035 -1.971 -4.518
8 HB2 MET 2 HB2 MET 2 0.353 -3.143 -5.865
9 HB3 MET 2 HB3 MET 2 0.768 -1.586 -6.570
10 HG2 MET 2 HG2 MET 2 1.826 -2.524 -8.371
11 HG3 MET 2 HG3 MET 2 2.201 -4.016 -7.510
12 HE1 MET 2 HE1 MET 2 -0.560 -3.966 -10.729
13 HE2 MET 2 HE2 MET 2 -0.338 -2.353 -10.051
14 HE3 MET 2 HE3 MET 2 1.066 -3.352 -10.428
15 H HIS 3 H HIS 3 1.593 -3.948 -3.497
16 HA HIS 3 HA HIS 3 3.689 -5.718 -3.195
17 HB2 HIS 3 HB2 HIS 3 0.821 -5.718 -2.464
18 HB3 HIS 3 HB3 HIS 3 1.614 -7.291 -2.467
19 HD1 HIS 3 HD1 HIS 3 3.451 -4.189 -1.436
20 HD2 HIS 3 HD2 HIS 3 1.633 -7.492 0.309
21 HE1 HIS 3 HE1 HIS 3 4.148 -4.142 0.980
22 HA PRO 4 HA PRO 4 3.606 -8.588 -6.510
23 HB2 PRO 4 HB2 PRO 4 4.123 -10.944 -5.263
24 HB3 PRO 4 HB3 PRO 4 5.344 -9.684 -5.482
25 HG2 PRO 4 HG2 PRO 4 3.690 -10.320 -3.069
26 HG3 PRO 4 HG3 PRO 4 5.414 -9.919 -3.170
27 HD2 PRO 4 HD2 PRO 4 3.538 -8.108 -2.440
28 HD3 PRO 4 HD3 PRO 4 5.009 -7.656 -3.327
29 H GLY 5 H GLY 5 1.207 -8.163 -6.696
30 HA2 GLY 5 HA2 GLY 5 -0.459 -10.354 -5.696
31 HA3 GLY 5 HA3 GLY 5 -1.037 -8.869 -6.437
32 H HIS 6 H HIS 6 0.834 -9.081 -8.690
33 HA HIS 6 HA HIS 6 -0.816 -10.682 -10.394
34 HB2 HIS 6 HB2 HIS 6 0.602 -9.903 -12.196
35 HB3 HIS 6 HB3 HIS 6 0.237 -8.552 -11.126
36 HD1 HIS 6 HD1 HIS 6 2.209 -7.773 -9.528
37 HD2 HIS 6 HD2 HIS 6 3.272 -10.472 -12.502
38 HE1 HIS 6 HE1 HIS 6 4.718 -7.667 -9.666
39 H LEU 7 H LEU 7 2.382 -11.009 -8.967
40 HA LEU 7 HA LEU 7 2.947 -13.452 -10.409
41 HB2 LEU 7 HB2 LEU 7 4.995 -13.499 -9.033
42 HB3 LEU 7 HB3 LEU 7 4.787 -11.997 -9.929
43 HG LEU 7 HG LEU 7 3.652 -11.552 -7.399
44 HD11 LEU 7 HD11 LEU 7 4.676 -13.094 -6.120
45 HD12 LEU 7 HD12 LEU 7 6.042 -11.985 -6.235
46 HD13 LEU 7 HD13 LEU 7 5.953 -13.386 -7.302
47 HD21 LEU 7 HD21 LEU 7 4.889 -9.692 -7.552
48 HD22 LEU 7 HD22 LEU 7 5.303 -10.280 -9.163
49 HD23 LEU 7 HD23 LEU 7 6.385 -10.592 -7.805
50 H LYS 8 H LYS 8 1.224 -12.605 -7.644
51 HA LYS 8 HA LYS 8 1.645 -14.418 -5.703
52 HB2 LYS 8 HB2 LYS 8 -0.630 -14.257 -5.099
53 HB3 LYS 8 HB3 LYS 8 -0.263 -12.740 -5.910
54 HG2 LYS 8 HG2 LYS 8 -2.215 -13.209 -6.946
55 HG3 LYS 8 HG3 LYS 8 -1.139 -14.113 -8.014
56 HD2 LYS 8 HD2 LYS 8 -1.831 -16.141 -7.221
57 HD3 LYS 8 HD3 LYS 8 -2.205 -15.507 -5.616
58 HE2 LYS 8 HE2 LYS 8 -3.820 -14.786 -8.046
59 HE3 LYS 8 HE3 LYS 8 -4.169 -16.217 -7.078
60 HZ1 LYS 8 HZ1 LYS 8 -3.892 -14.051 -5.340
61 HZ2 LYS 8 HZ2 LYS 8 -5.290 -14.939 -5.683
62 HZ3 LYS 8 HZ3 LYS 8 -4.921 -13.560 -6.590
63 H GLY 9 H GLY 9 0.378 -15.112 -8.894
64 HA2 GLY 9 HA2 GLY 9 -0.577 -17.717 -8.416
65 HA3 GLY 9 HA3 GLY 9 -0.056 -17.089 -9.973
66 H ARG 10 H ARG 10 1.545 -18.177 -10.880
67 HA ARG 10 HA ARG 10 3.122 -20.022 -9.306
68 HB2 ARG 10 HB2 ARG 10 2.153 -20.397 -11.682
69 HB3 ARG 10 HB3 ARG 10 3.540 -19.465 -12.228
70 HG2 ARG 10 HG2 ARG 10 4.931 -21.146 -10.857
71 HG3 ARG 10 HG3 ARG 10 3.475 -22.143 -10.901
72 HD2 ARG 10 HD2 ARG 10 4.494 -22.905 -12.789
73 HD3 ARG 10 HD3 ARG 10 3.597 -21.553 -13.479
74 HE ARG 10 HE ARG 10 6.045 -20.537 -12.716
75 HH11 ARG 10 HH11 ARG 10 4.877 -22.994 -14.888
76 HH12 ARG 10 HH12 ARG 10 6.196 -22.823 -15.998
77 HH21 ARG 10 HH21 ARG 10 7.787 -20.303 -14.169
78 HH22 ARG 10 HH22 ARG 10 7.851 -21.294 -15.588
79 H GLU 11 H GLU 11 3.580 -16.993 -11.028
80 HA GLU 11 HA GLU 11 6.348 -16.857 -11.098
81 HB2 GLU 11 HB2 GLU 11 4.148 -14.865 -11.051
82 HB3 GLU 11 HB3 GLU 11 5.760 -14.271 -10.676
83 HG2 GLU 11 HG2 GLU 11 5.068 -14.098 -13.077
84 HG3 GLU 11 HG3 GLU 11 6.597 -14.923 -12.783
85 H ILE 12 H ILE 12 4.224 -16.698 -8.401
86 HA ILE 12 HA ILE 12 5.569 -15.182 -6.547
87 HB ILE 12 HB ILE 12 3.392 -16.321 -6.153
88 HG12 ILE 12 HG12 ILE 12 5.242 -17.119 -3.932
89 HG13 ILE 12 HG13 ILE 12 5.058 -15.418 -4.345
90 HG21 ILE 12 HG21 ILE 12 4.154 -18.538 -7.025
91 HG22 ILE 12 HG22 ILE 12 5.044 -18.757 -5.518
92 HG23 ILE 12 HG23 ILE 12 3.287 -18.611 -5.491
93 HD11 ILE 12 HD11 ILE 12 3.488 -16.853 -2.606
94 HD12 ILE 12 HD12 ILE 12 3.094 -15.289 -3.319
95 HD13 ILE 12 HD13 ILE 12 2.509 -16.773 -4.071
96 H GLY 13 H GLY 13 6.493 -18.238 -7.898
97 HA2 GLY 13 HA2 GLY 13 8.191 -19.276 -5.977
98 HA3 GLY 13 HA3 GLY 13 8.439 -19.445 -7.709
99 H MET 14 H MET 14 8.769 -16.617 -8.209
100 HA MET 14 HA MET 14 11.562 -16.420 -7.529
101 HB2 MET 14 HB2 MET 14 9.676 -14.921 -9.287
102 HB3 MET 14 HB3 MET 14 11.151 -14.113 -8.774
103 HG2 MET 14 HG2 MET 14 12.214 -16.411 -9.590
104 HG3 MET 14 HG3 MET 14 10.775 -16.401 -10.606
105 HE1 MET 14 HE1 MET 14 11.019 -14.882 -13.187
106 HE2 MET 14 HE2 MET 14 12.718 -15.294 -13.420
107 HE3 MET 14 HE3 MET 14 11.638 -16.430 -12.611
108 H TRP 15 H TRP 15 8.588 -15.178 -6.318
109 HA TRP 15 HA TRP 15 9.285 -12.778 -5.168
110 HB2 TRP 15 HB2 TRP 15 7.008 -13.789 -5.137
111 HB3 TRP 15 HB3 TRP 15 7.552 -14.897 -3.881
112 HD1 TRP 15 HD1 TRP 15 8.619 -11.232 -3.770
113 HE1 TRP 15 HE1 TRP 15 7.502 -10.107 -1.742
114 HE3 TRP 15 HE3 TRP 15 5.491 -15.022 -2.360
115 HZ2 TRP 15 HZ2 TRP 15 5.554 -10.743 0.199
116 HZ3 TRP 15 HZ3 TRP 15 4.034 -14.683 -0.406
117 HH2 TRP 15 HH2 TRP 15 4.067 -12.588 0.846
118 H TYR 16 H TYR 16 9.354 -15.909 -3.453
119 HA TYR 16 HA TYR 16 10.649 -15.069 -1.167
120 HB2 TYR 16 HB2 TYR 16 9.701 -17.443 -2.005
121 HB3 TYR 16 HB3 TYR 16 11.425 -17.739 -2.202
122 HD1 TYR 16 HD1 TYR 16 9.047 -16.356 0.330
123 HD2 TYR 16 HD2 TYR 16 12.587 -18.599 -0.403
124 HE1 TYR 16 HE1 TYR 16 9.232 -16.839 2.735
125 HE2 TYR 16 HE2 TYR 16 12.781 -19.090 1.999
126 HH TYR 16 HH TYR 16 10.410 -17.832 4.329
127 H ALA 17 H ALA 17 12.108 -16.328 -4.154
128 HA ALA 17 HA ALA 17 14.772 -16.286 -3.401
129 HB1 ALA 17 HB1 ALA 17 15.251 -16.670 -5.584
130 HB2 ALA 17 HB2 ALA 17 13.515 -16.981 -5.646
131 HB3 ALA 17 HB3 ALA 17 14.150 -15.419 -6.162
132 H LYS 18 H LYS 18 12.672 -13.648 -4.312
133 HA LYS 18 HA LYS 18 14.634 -11.698 -4.835
134 HB2 LYS 18 HB2 LYS 18 12.034 -11.685 -5.195
135 HB3 LYS 18 HB3 LYS 18 12.009 -10.983 -3.582
136 HG2 LYS 18 HG2 LYS 18 12.079 -9.085 -4.830
137 HG3 LYS 18 HG3 LYS 18 13.810 -9.368 -4.630
138 HD2 LYS 18 HD2 LYS 18 12.371 -10.550 -6.969
139 HD3 LYS 18 HD3 LYS 18 12.836 -8.847 -6.994
140 HE2 LYS 18 HE2 LYS 18 15.157 -9.850 -6.211
141 HE3 LYS 18 HE3 LYS 18 14.533 -11.289 -7.014
142 HZ1 LYS 18 HZ1 LYS 18 14.929 -8.608 -8.222
143 HZ2 LYS 18 HZ2 LYS 18 14.156 -9.893 -9.004
144 HZ3 LYS 18 HZ3 LYS 18 15.788 -10.022 -8.578
145 H LYS 19 H LYS 19 15.896 -10.508 -3.546
146 HA LYS 19 HA LYS 19 15.583 -10.841 -0.643
147 HB2 LYS 19 HB2 LYS 19 17.768 -11.376 -2.052
148 HB3 LYS 19 HB3 LYS 19 18.040 -9.650 -1.846
149 HG2 LYS 19 HG2 LYS 19 18.031 -9.867 0.537
150 HG3 LYS 19 HG3 LYS 19 17.539 -11.559 0.427
151 HD2 LYS 19 HD2 LYS 19 19.738 -11.753 -1.013
152 HD3 LYS 19 HD3 LYS 19 20.190 -10.306 -0.107
153 HE2 LYS 19 HE2 LYS 19 19.857 -11.472 1.986
154 HE3 LYS 19 HE3 LYS 19 19.273 -12.899 1.132
155 HZ1 LYS 19 HZ1 LYS 19 21.404 -13.534 1.357
156 HZ2 LYS 19 HZ2 LYS 19 21.990 -11.956 1.520
157 HZ3 LYS 19 HZ3 LYS 19 21.648 -12.576 -0.016
158 H GLN 20 H GLN 20 15.874 -9.023 0.749
159 HA GLN 20 HA GLN 20 15.605 -6.394 -0.523
160 HB2 GLN 20 HB2 GLN 20 13.368 -7.477 0.235
161 HB3 GLN 20 HB3 GLN 20 13.921 -7.097 1.860
162 HG2 GLN 20 HG2 GLN 20 13.692 -4.849 1.568
163 HG3 GLN 20 HG3 GLN 20 13.964 -4.935 -0.172
164 HE21 GLN 20 HE12 GLN 20 11.658 -4.940 2.351
165 HE22 GLN 20 HE22 GLN 20 10.243 -5.055 1.367
Start of MODEL 4
1 H1 SER 1 H SER 1 1.065 1.360 -1.969
2 HA SER 1 HA SER 1 2.792 1.267 -4.356
3 HB2 SER 1 HB2 SER 1 2.973 -0.438 -1.860
4 HB3 SER 1 HB3 SER 1 4.037 -0.544 -3.262
5 HG SER 1 HG SER 1 3.711 1.785 -1.676
6 H MET 2 H MET 2 3.061 -1.281 -4.905
7 HA MET 2 HA MET 2 0.325 -2.352 -5.136
8 HB2 MET 2 HB2 MET 2 1.288 -1.389 -7.265
9 HB3 MET 2 HB3 MET 2 2.499 -2.663 -7.208
10 HG2 MET 2 HG2 MET 2 0.871 -3.462 -8.667
11 HG3 MET 2 HG3 MET 2 0.549 -4.293 -7.148
12 HE1 MET 2 HE1 MET 2 -3.025 -3.790 -8.694
13 HE2 MET 2 HE2 MET 2 -1.569 -3.931 -9.680
14 HE3 MET 2 HE3 MET 2 -1.769 -4.947 -8.252
15 H HIS 3 H HIS 3 0.069 -4.280 -4.236
16 HA HIS 3 HA HIS 3 2.237 -5.736 -3.127
17 HB2 HIS 3 HB2 HIS 3 -0.704 -6.047 -3.282
18 HB3 HIS 3 HB3 HIS 3 0.217 -7.530 -3.048
19 HD1 HIS 3 HD1 HIS 3 -0.283 -7.985 -0.634
20 HD2 HIS 3 HD2 HIS 3 1.052 -4.105 -1.281
21 HE1 HIS 3 HE1 HIS 3 0.068 -7.005 1.655
22 HA PRO 4 HA PRO 4 3.431 -8.487 -6.328
23 HB2 PRO 4 HB2 PRO 4 3.799 -10.822 -4.992
24 HB3 PRO 4 HB3 PRO 4 4.893 -9.442 -4.835
25 HG2 PRO 4 HG2 PRO 4 2.677 -10.318 -3.023
26 HG3 PRO 4 HG3 PRO 4 4.303 -9.747 -2.606
27 HD2 PRO 4 HD2 PRO 4 2.118 -8.154 -2.459
28 HD3 PRO 4 HD3 PRO 4 3.729 -7.530 -2.868
29 H GLY 5 H GLY 5 1.078 -8.243 -7.103
30 HA2 GLY 5 HA2 GLY 5 -0.488 -10.690 -6.726
31 HA3 GLY 5 HA3 GLY 5 -1.054 -9.207 -7.479
32 H HIS 6 H HIS 6 1.459 -9.080 -9.110
33 HA HIS 6 HA HIS 6 0.461 -10.571 -11.346
34 HB2 HIS 6 HB2 HIS 6 1.449 -8.373 -11.693
35 HB3 HIS 6 HB3 HIS 6 2.979 -8.927 -11.019
36 HD1 HIS 6 HD1 HIS 6 4.523 -10.275 -12.543
37 HD2 HIS 6 HD2 HIS 6 0.894 -9.292 -14.311
38 HE1 HIS 6 HE1 HIS 6 4.792 -10.825 -14.983
39 H LEU 7 H LEU 7 3.154 -10.870 -9.104
40 HA LEU 7 HA LEU 7 4.315 -13.100 -10.520
41 HB2 LEU 7 HB2 LEU 7 5.843 -13.213 -8.581
42 HB3 LEU 7 HB3 LEU 7 5.795 -11.628 -9.351
43 HG LEU 7 HG LEU 7 3.907 -11.648 -7.218
44 HD11 LEU 7 HD11 LEU 7 6.351 -13.161 -6.688
45 HD12 LEU 7 HD12 LEU 7 4.839 -13.089 -5.785
46 HD13 LEU 7 HD13 LEU 7 6.062 -11.840 -5.556
47 HD21 LEU 7 HD21 LEU 7 5.950 -10.053 -6.407
48 HD22 LEU 7 HD22 LEU 7 4.688 -9.568 -7.541
49 HD23 LEU 7 HD23 LEU 7 6.245 -10.136 -8.144
50 H LYS 8 H LYS 8 1.762 -12.690 -8.370
51 HA LYS 8 HA LYS 8 1.717 -14.684 -6.574
52 HB2 LYS 8 HB2 LYS 8 -0.378 -13.590 -8.383
53 HB3 LYS 8 HB3 LYS 8 -0.765 -15.053 -7.487
54 HG2 LYS 8 HG2 LYS 8 0.440 -12.887 -5.905
55 HG3 LYS 8 HG3 LYS 8 -1.165 -12.556 -6.561
56 HD2 LYS 8 HD2 LYS 8 -1.781 -14.879 -5.620
57 HD3 LYS 8 HD3 LYS 8 -0.308 -14.712 -4.661
58 HE2 LYS 8 HE2 LYS 8 -2.454 -12.606 -4.715
59 HE3 LYS 8 HE3 LYS 8 -2.479 -13.953 -3.577
60 HZ1 LYS 8 HZ1 LYS 8 -1.426 -12.251 -2.426
61 HZ2 LYS 8 HZ2 LYS 8 -0.532 -11.741 -3.768
62 HZ3 LYS 8 HZ3 LYS 8 -0.132 -13.187 -2.985
63 H GLY 9 H GLY 9 1.558 -15.092 -10.055
64 HA2 GLY 9 HA2 GLY 9 0.789 -17.800 -10.122
65 HA3 GLY 9 HA3 GLY 9 1.678 -16.960 -11.384
66 H ARG 10 H ARG 10 3.542 -17.885 -11.866
67 HA ARG 10 HA ARG 10 4.788 -19.728 -10.021
68 HB2 ARG 10 HB2 ARG 10 4.920 -19.158 -12.882
69 HB3 ARG 10 HB3 ARG 10 6.500 -19.466 -12.176
70 HG2 ARG 10 HG2 ARG 10 5.814 -21.614 -11.396
71 HG3 ARG 10 HG3 ARG 10 4.137 -21.296 -11.845
72 HD2 ARG 10 HD2 ARG 10 6.462 -21.486 -13.757
73 HD3 ARG 10 HD3 ARG 10 5.271 -22.753 -13.465
74 HE ARG 10 HE ARG 10 3.972 -20.365 -14.222
75 HH11 ARG 10 HH11 ARG 10 5.930 -22.930 -15.529
76 HH12 ARG 10 HH12 ARG 10 5.280 -22.788 -17.129
77 HH21 ARG 10 HH21 ARG 10 3.109 -20.168 -16.324
78 HH22 ARG 10 HH22 ARG 10 3.676 -21.215 -17.580
79 H GLU 11 H GLU 11 5.359 -16.509 -11.274
80 HA GLU 11 HA GLU 11 8.025 -16.151 -10.581
81 HB2 GLU 11 HB2 GLU 11 5.704 -14.384 -11.044
82 HB3 GLU 11 HB3 GLU 11 7.009 -13.684 -10.096
83 HG2 GLU 11 HG2 GLU 11 7.116 -13.269 -12.563
84 HG3 GLU 11 HG3 GLU 11 8.565 -13.972 -11.847
85 H ILE 12 H ILE 12 5.263 -16.477 -8.569
86 HA ILE 12 HA ILE 12 5.891 -15.062 -6.298
87 HB ILE 12 HB ILE 12 3.822 -16.392 -6.595
88 HG12 ILE 12 HG12 ILE 12 5.297 -17.151 -4.068
89 HG13 ILE 12 HG13 ILE 12 4.616 -15.554 -4.360
90 HG21 ILE 12 HG21 ILE 12 5.198 -18.832 -5.605
91 HG22 ILE 12 HG22 ILE 12 3.737 -18.673 -6.579
92 HG23 ILE 12 HG23 ILE 12 5.320 -18.442 -7.321
93 HD11 ILE 12 HD11 ILE 12 2.433 -16.334 -4.246
94 HD12 ILE 12 HD12 ILE 12 2.916 -18.009 -4.518
95 HD13 ILE 12 HD13 ILE 12 3.266 -17.230 -2.975
96 H GLY 13 H GLY 13 7.476 -17.854 -7.598
97 HA2 GLY 13 HA2 GLY 13 8.700 -18.963 -5.379
98 HA3 GLY 13 HA3 GLY 13 9.418 -18.913 -6.982
99 H MET 14 H MET 14 9.546 -16.022 -7.113
100 HA MET 14 HA MET 14 12.024 -15.677 -5.687
101 HB2 MET 14 HB2 MET 14 11.469 -14.835 -8.050
102 HB3 MET 14 HB3 MET 14 10.583 -13.544 -7.249
103 HG2 MET 14 HG2 MET 14 12.579 -12.509 -7.513
104 HG3 MET 14 HG3 MET 14 12.861 -13.269 -5.948
105 HE1 MET 14 HE1 MET 14 14.572 -12.425 -9.048
106 HE2 MET 14 HE2 MET 14 15.120 -13.924 -9.799
107 HE3 MET 14 HE3 MET 14 13.404 -13.512 -9.800
108 H TRP 15 H TRP 15 8.718 -14.849 -5.205
109 HA TRP 15 HA TRP 15 8.817 -12.559 -3.684
110 HB2 TRP 15 HB2 TRP 15 6.760 -13.857 -4.387
111 HB3 TRP 15 HB3 TRP 15 7.063 -14.926 -3.019
112 HD1 TRP 15 HD1 TRP 15 7.657 -11.193 -2.574
113 HE1 TRP 15 HE1 TRP 15 5.874 -10.249 -0.976
114 HE3 TRP 15 HE3 TRP 15 4.622 -15.293 -2.232
115 HZ2 TRP 15 HZ2 TRP 15 3.496 -11.127 0.266
116 HZ3 TRP 15 HZ3 TRP 15 2.613 -15.158 -0.817
117 HH2 TRP 15 HH2 TRP 15 2.064 -13.118 0.406
118 H TYR 16 H TYR 16 8.798 -15.862 -2.326
119 HA TYR 16 HA TYR 16 9.386 -15.167 0.293
120 HB2 TYR 16 HB2 TYR 16 8.918 -17.513 -1.022
121 HB3 TYR 16 HB3 TYR 16 10.624 -17.679 -0.622
122 HD1 TYR 16 HD1 TYR 16 7.483 -16.532 1.062
123 HD2 TYR 16 HD2 TYR 16 11.097 -18.759 1.353
124 HE1 TYR 16 HE1 TYR 16 6.875 -17.207 3.347
125 HE2 TYR 16 HE2 TYR 16 10.498 -19.442 3.638
126 HH TYR 16 HH TYR 16 7.834 -18.033 5.339
127 H ALA 17 H ALA 17 11.648 -16.152 -2.275
128 HA ALA 17 HA ALA 17 14.019 -16.006 -0.871
129 HB1 ALA 17 HB1 ALA 17 15.122 -15.655 -3.014
130 HB2 ALA 17 HB2 ALA 17 13.843 -16.861 -3.157
131 HB3 ALA 17 HB3 ALA 17 13.579 -15.221 -3.750
132 H LYS 18 H LYS 18 12.030 -13.419 -2.102
133 HA LYS 18 HA LYS 18 12.156 -11.152 -1.942
134 HB2 LYS 18 HB2 LYS 18 12.860 -12.224 0.554
135 HB3 LYS 18 HB3 LYS 18 14.032 -10.949 0.248
136 HG2 LYS 18 HG2 LYS 18 11.344 -10.101 -0.398
137 HG3 LYS 18 HG3 LYS 18 11.480 -10.648 1.275
138 HD2 LYS 18 HD2 LYS 18 13.581 -9.170 1.371
139 HD3 LYS 18 HD3 LYS 18 12.964 -8.436 -0.111
140 HE2 LYS 18 HE2 LYS 18 11.971 -7.049 1.387
141 HE3 LYS 18 HE3 LYS 18 10.744 -8.314 1.356
142 HZ1 LYS 18 HZ1 LYS 18 11.115 -8.772 3.480
143 HZ2 LYS 18 HZ2 LYS 18 12.083 -7.387 3.562
144 HZ3 LYS 18 HZ3 LYS 18 12.787 -8.893 3.251
145 H LYS 19 H LYS 19 14.206 -12.618 -3.506
146 HA LYS 19 HA LYS 19 16.597 -10.996 -3.255
147 HB2 LYS 19 HB2 LYS 19 16.338 -13.534 -3.978
148 HB3 LYS 19 HB3 LYS 19 16.141 -12.819 -5.573
149 HG2 LYS 19 HG2 LYS 19 18.301 -11.714 -5.358
150 HG3 LYS 19 HG3 LYS 19 18.498 -12.401 -3.744
151 HD2 LYS 19 HD2 LYS 19 19.728 -13.836 -5.115
152 HD3 LYS 19 HD3 LYS 19 18.191 -14.678 -4.897
153 HE2 LYS 19 HE2 LYS 19 17.514 -13.423 -7.078
154 HE3 LYS 19 HE3 LYS 19 19.255 -13.256 -7.303
155 HZ1 LYS 19 HZ1 LYS 19 18.419 -15.921 -6.604
156 HZ2 LYS 19 HZ2 LYS 19 19.463 -15.401 -7.829
157 HZ3 LYS 19 HZ3 LYS 19 17.790 -15.382 -8.080
158 H GLN 20 H GLN 20 17.456 -9.738 -5.014
159 HA GLN 20 HA GLN 20 15.610 -7.941 -6.117
160 HB2 GLN 20 HB2 GLN 20 18.039 -7.491 -5.684
161 HB3 GLN 20 HB3 GLN 20 18.418 -8.455 -7.105
162 HG2 GLN 20 HG2 GLN 20 17.428 -6.904 -8.558
163 HG3 GLN 20 HG3 GLN 20 16.599 -6.076 -7.241
164 HE21 GLN 20 HE12 GLN 20 18.801 -5.497 -9.391
165 HE22 GLN 20 HE22 GLN 20 19.939 -4.548 -8.503
Start of MODEL 5
1 H1 SER 1 H SER 1 -1.572 -1.918 -8.707
2 HA SER 1 HA SER 1 -1.156 -3.343 -6.284
3 HB2 SER 1 HB2 SER 1 -2.272 -4.441 -8.122
4 HB3 SER 1 HB3 SER 1 -0.881 -4.189 -9.176
5 HG SER 1 HG SER 1 -0.464 -6.161 -8.491
6 H MET 2 H MET 2 0.740 -1.703 -5.870
7 HA MET 2 HA MET 2 3.224 -2.014 -7.091
8 HB2 MET 2 HB2 MET 2 2.625 -1.340 -4.205
9 HB3 MET 2 HB3 MET 2 4.169 -1.086 -5.008
10 HG2 MET 2 HG2 MET 2 3.421 0.707 -6.193
11 HG3 MET 2 HG3 MET 2 1.756 0.130 -6.227
12 HE1 MET 2 HE1 MET 2 4.567 1.662 -4.549
13 HE2 MET 2 HE2 MET 2 3.724 3.194 -4.317
14 HE3 MET 2 HE3 MET 2 4.052 2.149 -2.934
15 H HIS 3 H HIS 3 1.743 -3.814 -4.438
16 HA HIS 3 HA HIS 3 4.048 -5.388 -3.864
17 HB2 HIS 3 HB2 HIS 3 1.179 -5.420 -3.063
18 HB3 HIS 3 HB3 HIS 3 2.106 -6.900 -2.839
19 HD1 HIS 3 HD1 HIS 3 3.719 -6.980 -0.898
20 HD2 HIS 3 HD2 HIS 3 2.123 -3.196 -1.521
21 HE1 HIS 3 HE1 HIS 3 4.419 -5.618 1.097
22 HA PRO 4 HA PRO 4 3.865 -8.580 -6.865
23 HB2 PRO 4 HB2 PRO 4 4.462 -10.793 -5.409
24 HB3 PRO 4 HB3 PRO 4 5.657 -9.552 -5.805
25 HG2 PRO 4 HG2 PRO 4 4.109 -9.953 -3.274
26 HG3 PRO 4 HG3 PRO 4 5.824 -9.551 -3.485
27 HD2 PRO 4 HD2 PRO 4 3.957 -7.690 -2.866
28 HD3 PRO 4 HD3 PRO 4 5.384 -7.318 -3.853
29 H GLY 5 H GLY 5 1.421 -8.132 -6.882
30 HA2 GLY 5 HA2 GLY 5 -0.132 -10.304 -5.677
31 HA3 GLY 5 HA3 GLY 5 -0.788 -8.851 -6.417
32 H HIS 6 H HIS 6 1.034 -9.215 -8.765
33 HA HIS 6 HA HIS 6 -0.768 -10.809 -10.325
34 HB2 HIS 6 HB2 HIS 6 0.879 -8.699 -10.887
35 HB3 HIS 6 HB3 HIS 6 1.788 -10.046 -11.566
36 HD1 HIS 6 HD1 HIS 6 -1.845 -8.891 -11.681
37 HD2 HIS 6 HD2 HIS 6 1.115 -10.455 -14.141
38 HE1 HIS 6 HE1 HIS 6 -2.883 -9.045 -13.967
39 H LEU 7 H LEU 7 2.602 -11.121 -9.271
40 HA LEU 7 HA LEU 7 3.032 -13.612 -10.588
41 HB2 LEU 7 HB2 LEU 7 5.065 -13.728 -9.185
42 HB3 LEU 7 HB3 LEU 7 4.909 -12.220 -10.083
43 HG LEU 7 HG LEU 7 3.766 -11.860 -7.495
44 HD11 LEU 7 HD11 LEU 7 4.994 -13.263 -6.259
45 HD12 LEU 7 HD12 LEU 7 6.306 -12.119 -6.540
46 HD13 LEU 7 HD13 LEU 7 6.152 -13.552 -7.557
47 HD21 LEU 7 HD21 LEU 7 4.554 -9.901 -8.244
48 HD22 LEU 7 HD22 LEU 7 5.776 -10.668 -9.259
49 HD23 LEU 7 HD23 LEU 7 6.084 -10.424 -7.539
50 H LYS 8 H LYS 8 1.287 -12.763 -7.847
51 HA LYS 8 HA LYS 8 1.638 -14.578 -5.902
52 HB2 LYS 8 HB2 LYS 8 -0.839 -13.479 -7.150
53 HB3 LYS 8 HB3 LYS 8 -1.007 -14.770 -5.967
54 HG2 LYS 8 HG2 LYS 8 0.102 -13.450 -4.292
55 HG3 LYS 8 HG3 LYS 8 0.454 -12.184 -5.471
56 HD2 LYS 8 HD2 LYS 8 -1.418 -11.391 -4.310
57 HD3 LYS 8 HD3 LYS 8 -2.082 -12.051 -5.806
58 HE2 LYS 8 HE2 LYS 8 -3.518 -12.965 -4.271
59 HE3 LYS 8 HE3 LYS 8 -2.301 -14.236 -4.366
60 HZ1 LYS 8 HZ1 LYS 8 -2.662 -12.206 -2.246
61 HZ2 LYS 8 HZ2 LYS 8 -1.220 -13.074 -2.413
62 HZ3 LYS 8 HZ3 LYS 8 -2.666 -13.892 -2.097
63 H GLY 9 H GLY 9 0.411 -15.271 -9.116
64 HA2 GLY 9 HA2 GLY 9 -0.527 -17.883 -8.649
65 HA3 GLY 9 HA3 GLY 9 -0.004 -17.249 -10.202
66 H ARG 10 H ARG 10 1.547 -18.414 -11.100
67 HA ARG 10 HA ARG 10 3.168 -20.191 -9.499
68 HB2 ARG 10 HB2 ARG 10 2.149 -20.607 -11.868
69 HB3 ARG 10 HB3 ARG 10 3.573 -19.745 -12.435
70 HG2 ARG 10 HG2 ARG 10 3.933 -22.004 -10.534
71 HG3 ARG 10 HG3 ARG 10 3.560 -22.356 -12.223
72 HD2 ARG 10 HD2 ARG 10 5.481 -20.666 -12.711
73 HD3 ARG 10 HD3 ARG 10 5.956 -21.008 -11.048
74 HE ARG 10 HE ARG 10 6.715 -23.052 -11.731
75 HH11 ARG 10 HH11 ARG 10 4.585 -21.767 -14.167
76 HH12 ARG 10 HH12 ARG 10 4.918 -23.027 -15.308
77 HH21 ARG 10 HH21 ARG 10 7.162 -24.716 -13.225
78 HH22 ARG 10 HH22 ARG 10 6.384 -24.704 -14.771
79 H GLU 11 H GLU 11 3.542 -17.170 -11.221
80 HA GLU 11 HA GLU 11 6.310 -17.022 -11.414
81 HB2 GLU 11 HB2 GLU 11 4.086 -15.080 -11.352
82 HB3 GLU 11 HB3 GLU 11 5.664 -14.433 -10.928
83 HG2 GLU 11 HG2 GLU 11 5.005 -14.265 -13.350
84 HG3 GLU 11 HG3 GLU 11 6.576 -14.993 -13.020
85 H ILE 12 H ILE 12 4.294 -16.896 -8.639
86 HA ILE 12 HA ILE 12 5.696 -15.358 -6.840
87 HB ILE 12 HB ILE 12 3.540 -16.509 -6.366
88 HG12 ILE 12 HG12 ILE 12 5.590 -17.185 -4.259
89 HG13 ILE 12 HG13 ILE 12 5.113 -15.527 -4.606
90 HG21 ILE 12 HG21 ILE 12 4.499 -18.744 -7.241
91 HG22 ILE 12 HG22 ILE 12 5.112 -18.937 -5.600
92 HG23 ILE 12 HG23 ILE 12 3.379 -18.772 -5.880
93 HD11 ILE 12 HD11 ILE 12 3.916 -17.253 -2.817
94 HD12 ILE 12 HD12 ILE 12 3.258 -15.727 -3.410
95 HD13 ILE 12 HD13 ILE 12 2.822 -17.242 -4.200
96 H GLY 13 H GLY 13 6.594 -18.399 -8.231
97 HA2 GLY 13 HA2 GLY 13 8.362 -19.434 -6.371
98 HA3 GLY 13 HA3 GLY 13 8.549 -19.599 -8.110
99 H MET 14 H MET 14 8.834 -16.754 -8.596
100 HA MET 14 HA MET 14 11.653 -16.548 -8.041
101 HB2 MET 14 HB2 MET 14 10.536 -15.868 -10.211
102 HB3 MET 14 HB3 MET 14 9.894 -14.475 -9.350
103 HG2 MET 14 HG2 MET 14 12.291 -13.907 -8.768
104 HG3 MET 14 HG3 MET 14 12.759 -15.127 -9.950
105 HE1 MET 14 HE1 MET 14 13.422 -11.663 -10.172
106 HE2 MET 14 HE2 MET 14 11.933 -10.855 -10.664
107 HE3 MET 14 HE3 MET 14 11.997 -11.732 -9.134
108 H TRP 15 H TRP 15 8.732 -15.346 -6.671
109 HA TRP 15 HA TRP 15 9.475 -12.961 -5.514
110 HB2 TRP 15 HB2 TRP 15 7.206 -14.078 -5.420
111 HB3 TRP 15 HB3 TRP 15 7.831 -15.065 -4.101
112 HD1 TRP 15 HD1 TRP 15 8.815 -11.389 -4.267
113 HE1 TRP 15 HE1 TRP 15 7.702 -10.141 -2.310
114 HE3 TRP 15 HE3 TRP 15 5.753 -15.112 -2.565
115 HZ2 TRP 15 HZ2 TRP 15 5.781 -10.665 -0.310
116 HZ3 TRP 15 HZ3 TRP 15 4.309 -14.658 -0.625
117 HH2 TRP 15 HH2 TRP 15 4.325 -12.480 0.478
118 H TYR 16 H TYR 16 9.622 -16.124 -3.863
119 HA TYR 16 HA TYR 16 11.009 -15.323 -1.618
120 HB2 TYR 16 HB2 TYR 16 10.040 -17.689 -2.480
121 HB3 TYR 16 HB3 TYR 16 11.761 -17.969 -2.720
122 HD1 TYR 16 HD2 TYR 16 9.368 -16.747 -0.128
123 HD2 TYR 16 HD1 TYR 16 13.031 -18.752 -0.946
124 HE1 TYR 16 HE2 TYR 16 9.610 -17.269 2.263
125 HE2 TYR 16 HE1 TYR 16 13.282 -19.280 1.442
126 HH TYR 16 HH TYR 16 10.808 -19.047 3.646
127 H ALA 17 H ALA 17 12.351 -16.543 -4.677
128 HA ALA 17 HA ALA 17 15.038 -16.517 -4.051
129 HB1 ALA 17 HB1 ALA 17 15.461 -16.273 -6.444
130 HB2 ALA 17 HB2 ALA 17 14.154 -17.418 -6.140
131 HB3 ALA 17 HB3 ALA 17 13.785 -15.786 -6.695
132 H LYS 18 H LYS 18 12.914 -13.837 -4.740
133 HA LYS 18 HA LYS 18 14.883 -11.881 -5.264
134 HB2 LYS 18 HB2 LYS 18 12.390 -11.721 -5.721
135 HB3 LYS 18 HB3 LYS 18 12.186 -11.375 -4.009
136 HG2 LYS 18 HG2 LYS 18 13.420 -9.354 -4.184
137 HG3 LYS 18 HG3 LYS 18 13.950 -9.748 -5.821
138 HD2 LYS 18 HD2 LYS 18 11.842 -9.343 -6.731
139 HD3 LYS 18 HD3 LYS 18 11.034 -9.498 -5.169
140 HE2 LYS 18 HE2 LYS 18 11.005 -7.208 -5.540
141 HE3 LYS 18 HE3 LYS 18 12.421 -7.419 -4.510
142 HZ1 LYS 18 HZ1 LYS 18 12.875 -5.949 -6.378
143 HZ2 LYS 18 HZ2 LYS 18 12.469 -7.175 -7.470
144 HZ3 LYS 18 HZ3 LYS 18 13.822 -7.349 -6.469
145 H LYS 19 H LYS 19 15.823 -10.332 -3.933
146 HA LYS 19 HA LYS 19 15.542 -10.752 -1.036
147 HB2 LYS 19 HB2 LYS 19 18.025 -10.756 -2.698
148 HB3 LYS 19 HB3 LYS 19 18.102 -10.109 -1.065
149 HG2 LYS 19 HG2 LYS 19 17.531 -12.172 -0.103
150 HG3 LYS 19 HG3 LYS 19 16.983 -12.831 -1.646
151 HD2 LYS 19 HD2 LYS 19 19.049 -13.831 -1.431
152 HD3 LYS 19 HD3 LYS 19 19.454 -12.399 -2.379
153 HE2 LYS 19 HE2 LYS 19 21.073 -12.283 -0.767
154 HE3 LYS 19 HE3 LYS 19 19.803 -11.335 0.005
155 HZ1 LYS 19 HZ1 LYS 19 20.058 -14.241 0.477
156 HZ2 LYS 19 HZ2 LYS 19 19.253 -13.087 1.415
157 HZ3 LYS 19 HZ3 LYS 19 20.944 -13.121 1.384
158 H GLN 20 H GLN 20 16.206 -8.911 0.270
159 HA GLN 20 HA GLN 20 15.244 -6.458 -0.809
160 HB2 GLN 20 HB2 GLN 20 16.428 -7.278 1.824
161 HB3 GLN 20 HB3 GLN 20 16.152 -5.578 1.465
162 HG2 GLN 20 HG2 GLN 20 14.298 -6.479 2.714
163 HG3 GLN 20 HG3 GLN 20 13.780 -6.051 1.084
164 HE21 GLN 20 HE12 GLN 20 14.765 -8.745 3.127
165 HE22 GLN 20 HE22 GLN 20 13.870 -9.954 2.279
Start of MODEL 6
1 H1 SER 1 H SER 1 -3.250 -3.422 -5.800
2 HA SER 1 HA SER 1 -1.617 -3.917 -7.753
3 HB2 SER 1 HB2 SER 1 -2.283 -1.260 -6.565
4 HB3 SER 1 HB3 SER 1 -1.096 -1.315 -7.868
5 HG SER 1 HG SER 1 -2.630 -1.762 -9.243
6 H MET 2 H MET 2 -0.380 -1.844 -5.121
7 HA MET 2 HA MET 2 2.293 -1.877 -5.920
8 HB2 MET 2 HB2 MET 2 1.147 -1.595 -3.136
9 HB3 MET 2 HB3 MET 2 2.801 -1.206 -3.588
10 HG2 MET 2 HG2 MET 2 1.866 0.452 -5.215
11 HG3 MET 2 HG3 MET 2 0.284 0.154 -4.501
12 HE1 MET 2 HE1 MET 2 0.866 -0.019 -1.279
13 HE2 MET 2 HE2 MET 2 0.423 1.671 -1.043
14 HE3 MET 2 HE3 MET 2 -0.436 0.692 -2.233
15 H HIS 3 H HIS 3 0.523 -4.042 -3.751
16 HA HIS 3 HA HIS 3 2.759 -5.572 -2.939
17 HB2 HIS 3 HB2 HIS 3 -0.185 -5.815 -2.762
18 HB3 HIS 3 HB3 HIS 3 0.718 -7.324 -2.661
19 HD1 HIS 3 HD1 HIS 3 0.865 -7.918 -0.269
20 HD2 HIS 3 HD2 HIS 3 1.456 -3.852 -0.888
21 HE1 HIS 3 HE1 HIS 3 1.404 -6.964 1.995
22 HA PRO 4 HA PRO 4 3.527 -8.297 -6.288
23 HB2 PRO 4 HB2 PRO 4 3.992 -10.659 -5.032
24 HB3 PRO 4 HB3 PRO 4 5.127 -9.304 -4.981
25 HG2 PRO 4 HG2 PRO 4 3.109 -10.162 -2.943
26 HG3 PRO 4 HG3 PRO 4 4.784 -9.631 -2.705
27 HD2 PRO 4 HD2 PRO 4 2.664 -7.996 -2.293
28 HD3 PRO 4 HD3 PRO 4 4.232 -7.399 -2.873
29 H GLY 5 H GLY 5 1.115 -8.000 -6.806
30 HA2 GLY 5 HA2 GLY 5 -0.458 -10.414 -6.276
31 HA3 GLY 5 HA3 GLY 5 -1.067 -8.911 -6.954
32 H HIS 6 H HIS 6 1.250 -8.821 -8.849
33 HA HIS 6 HA HIS 6 -0.016 -10.275 -10.971
34 HB2 HIS 6 HB2 HIS 6 1.136 -8.014 -11.176
35 HB3 HIS 6 HB3 HIS 6 2.662 -8.890 -11.099
36 HD1 HIS 6 HD1 HIS 6 3.343 -10.270 -13.163
37 HD2 HIS 6 HD2 HIS 6 -0.293 -8.304 -13.575
38 HE1 HIS 6 HE1 HIS 6 2.773 -10.418 -15.607
39 H LEU 7 H LEU 7 3.058 -10.535 -9.226
40 HA LEU 7 HA LEU 7 3.989 -12.778 -10.716
41 HB2 LEU 7 HB2 LEU 7 5.670 -12.976 -8.912
42 HB3 LEU 7 HB3 LEU 7 5.577 -11.365 -9.621
43 HG LEU 7 HG LEU 7 3.869 -11.453 -7.339
44 HD11 LEU 7 HD11 LEU 7 6.353 -12.972 -7.070
45 HD12 LEU 7 HD12 LEU 7 4.920 -12.944 -6.043
46 HD13 LEU 7 HD13 LEU 7 6.153 -11.694 -5.871
47 HD21 LEU 7 HD21 LEU 7 4.619 -9.363 -7.631
48 HD22 LEU 7 HD22 LEU 7 6.097 -9.899 -8.430
49 HD23 LEU 7 HD23 LEU 7 6.000 -9.890 -6.669
50 H LYS 8 H LYS 8 1.619 -12.442 -8.360
51 HA LYS 8 HA LYS 8 1.701 -14.496 -6.636
52 HB2 LYS 8 HB2 LYS 8 -0.534 -13.377 -8.266
53 HB3 LYS 8 HB3 LYS 8 -0.838 -14.834 -7.329
54 HG2 LYS 8 HG2 LYS 8 -0.245 -13.708 -5.289
55 HG3 LYS 8 HG3 LYS 8 0.238 -12.265 -6.184
56 HD2 LYS 8 HD2 LYS 8 -1.875 -11.656 -5.538
57 HD3 LYS 8 HD3 LYS 8 -2.231 -12.412 -7.093
58 HE2 LYS 8 HE2 LYS 8 -2.239 -14.062 -4.602
59 HE3 LYS 8 HE3 LYS 8 -3.623 -13.036 -4.972
60 HZ1 LYS 8 HZ1 LYS 8 -4.302 -14.811 -6.129
61 HZ2 LYS 8 HZ2 LYS 8 -2.756 -15.487 -6.233
62 HZ3 LYS 8 HZ3 LYS 8 -3.222 -14.272 -7.314
63 H GLY 9 H GLY 9 1.272 -14.787 -10.107
64 HA2 GLY 9 HA2 GLY 9 0.496 -17.491 -10.205
65 HA3 GLY 9 HA3 GLY 9 1.286 -16.608 -11.503
66 H ARG 10 H ARG 10 3.095 -17.534 -12.164
67 HA ARG 10 HA ARG 10 4.482 -19.426 -10.476
68 HB2 ARG 10 HB2 ARG 10 4.087 -19.765 -12.940
69 HB3 ARG 10 HB3 ARG 10 5.252 -18.483 -13.239
70 HG2 ARG 10 HG2 ARG 10 6.626 -20.276 -13.429
71 HG3 ARG 10 HG3 ARG 10 6.769 -20.001 -11.691
72 HD2 ARG 10 HD2 ARG 10 4.572 -21.761 -12.626
73 HD3 ARG 10 HD3 ARG 10 6.215 -22.392 -12.723
74 HE ARG 10 HE ARG 10 5.946 -21.354 -10.183
75 HH11 ARG 10 HH11 ARG 10 4.409 -23.822 -12.097
76 HH12 ARG 10 HH12 ARG 10 3.997 -24.807 -10.733
77 HH21 ARG 10 HH21 ARG 10 5.410 -22.642 -8.379
78 HH22 ARG 10 HH22 ARG 10 4.566 -24.134 -8.618
79 H GLU 11 H GLU 11 4.948 -16.170 -11.666
80 HA GLU 11 HA GLU 11 7.666 -15.831 -11.198
81 HB2 GLU 11 HB2 GLU 11 5.315 -14.054 -11.399
82 HB3 GLU 11 HB3 GLU 11 6.698 -13.383 -10.546
83 HG2 GLU 11 HG2 GLU 11 6.542 -12.930 -13.032
84 HG3 GLU 11 HG3 GLU 11 8.081 -13.537 -12.422
85 H ILE 12 H ILE 12 5.088 -16.228 -8.966
86 HA ILE 12 HA ILE 12 5.917 -14.888 -6.712
87 HB ILE 12 HB ILE 12 3.823 -16.215 -6.890
88 HG12 ILE 12 HG12 ILE 12 5.375 -17.138 -4.482
89 HG13 ILE 12 HG13 ILE 12 4.954 -15.443 -4.700
90 HG21 ILE 12 HG21 ILE 12 5.234 -18.244 -7.777
91 HG22 ILE 12 HG22 ILE 12 5.310 -18.658 -6.065
92 HG23 ILE 12 HG23 ILE 12 3.747 -18.506 -6.867
93 HD11 ILE 12 HD11 ILE 12 2.557 -16.649 -5.105
94 HD12 ILE 12 HD12 ILE 12 3.293 -17.710 -3.904
95 HD13 ILE 12 HD13 ILE 12 3.112 -15.988 -3.567
96 H GLY 13 H GLY 13 7.369 -17.637 -8.238
97 HA2 GLY 13 HA2 GLY 13 8.773 -18.823 -6.169
98 HA3 GLY 13 HA3 GLY 13 9.350 -18.723 -7.826
99 H MET 14 H MET 14 9.477 -15.826 -7.866
100 HA MET 14 HA MET 14 12.075 -15.536 -6.659
101 HB2 MET 14 HB2 MET 14 10.372 -13.894 -8.484
102 HB3 MET 14 HB3 MET 14 11.687 -13.107 -7.620
103 HG2 MET 14 HG2 MET 14 13.198 -14.903 -8.557
104 HG3 MET 14 HG3 MET 14 11.855 -15.349 -9.606
105 HE1 MET 14 HE1 MET 14 11.623 -12.644 -12.201
106 HE2 MET 14 HE2 MET 14 11.662 -14.393 -11.970
107 HE3 MET 14 HE3 MET 14 10.556 -13.402 -11.018
108 H TRP 15 H TRP 15 8.829 -14.720 -5.853
109 HA TRP 15 HA TRP 15 9.083 -12.487 -4.261
110 HB2 TRP 15 HB2 TRP 15 6.958 -13.739 -4.833
111 HB3 TRP 15 HB3 TRP 15 7.366 -14.866 -3.542
112 HD1 TRP 15 HD1 TRP 15 8.036 -11.159 -2.999
113 HE1 TRP 15 HE1 TRP 15 6.409 -10.271 -1.213
114 HE3 TRP 15 HE3 TRP 15 5.001 -15.250 -2.558
115 HZ2 TRP 15 HZ2 TRP 15 4.141 -11.184 0.197
116 HZ3 TRP 15 HZ3 TRP 15 3.126 -15.161 -0.968
117 HH2 TRP 15 HH2 TRP 15 2.706 -13.170 0.381
118 H TYR 16 H TYR 16 9.173 -15.847 -3.055
119 HA TYR 16 HA TYR 16 9.942 -15.309 -0.461
120 HB2 TYR 16 HB2 TYR 16 9.424 -17.573 -1.822
121 HB3 TYR 16 HB3 TYR 16 11.177 -17.695 -1.718
122 HD1 TYR 16 HD2 TYR 16 8.178 -17.093 0.418
123 HD2 TYR 16 HD1 TYR 16 12.143 -18.619 0.179
124 HE1 TYR 16 HE2 TYR 16 7.976 -17.963 2.710
125 HE2 TYR 16 HE1 TYR 16 11.951 -19.493 2.470
126 HH TYR 16 HH TYR 16 10.665 -19.690 4.264
127 H ALA 17 H ALA 17 12.002 -15.807 -3.303
128 HA ALA 17 HA ALA 17 14.485 -15.715 -2.034
129 HB1 ALA 17 HB1 ALA 17 13.928 -16.301 -4.462
130 HB2 ALA 17 HB2 ALA 17 14.021 -14.566 -4.767
131 HB3 ALA 17 HB3 ALA 17 15.431 -15.430 -4.153
132 H LYS 18 H LYS 18 12.915 -13.042 -3.809
133 HA LYS 18 HA LYS 18 13.134 -10.781 -3.644
134 HB2 LYS 18 HB2 LYS 18 12.079 -11.513 -1.387
135 HB3 LYS 18 HB3 LYS 18 13.658 -11.141 -0.708
136 HG2 LYS 18 HG2 LYS 18 13.470 -8.850 -1.581
137 HG3 LYS 18 HG3 LYS 18 11.860 -9.234 -2.192
138 HD2 LYS 18 HD2 LYS 18 11.502 -8.155 -0.130
139 HD3 LYS 18 HD3 LYS 18 11.275 -9.874 0.201
140 HE2 LYS 18 HE2 LYS 18 13.805 -9.808 0.812
141 HE3 LYS 18 HE3 LYS 18 13.537 -8.073 0.969
142 HZ1 LYS 18 HZ1 LYS 18 11.700 -9.918 2.324
143 HZ2 LYS 18 HZ2 LYS 18 12.168 -8.353 2.761
144 HZ3 LYS 18 HZ3 LYS 18 13.227 -9.649 3.002
145 H LYS 19 H LYS 19 15.447 -11.957 -4.482
146 HA LYS 19 HA LYS 19 17.434 -10.092 -3.448
147 HB2 LYS 19 HB2 LYS 19 19.146 -11.803 -3.192
148 HB3 LYS 19 HB3 LYS 19 17.777 -12.153 -2.145
149 HG2 LYS 19 HG2 LYS 19 17.002 -13.644 -4.145
150 HG3 LYS 19 HG3 LYS 19 18.710 -13.580 -4.588
151 HD2 LYS 19 HD2 LYS 19 17.733 -14.379 -1.852
152 HD3 LYS 19 HD3 LYS 19 18.037 -15.535 -3.152
153 HE2 LYS 19 HE2 LYS 19 20.051 -15.584 -2.052
154 HE3 LYS 19 HE3 LYS 19 20.364 -14.334 -3.255
155 HZ1 LYS 19 HZ1 LYS 19 20.601 -12.798 -1.681
156 HZ2 LYS 19 HZ2 LYS 19 20.707 -14.073 -0.576
157 HZ3 LYS 19 HZ3 LYS 19 19.225 -13.300 -0.835
158 H GLN 20 H GLN 20 18.746 -9.306 -5.005
159 HA GLN 20 HA GLN 20 18.327 -10.316 -7.720
160 HB2 GLN 20 HB2 GLN 20 19.688 -7.758 -6.870
161 HB3 GLN 20 HB3 GLN 20 19.159 -8.189 -8.491
162 HG2 GLN 20 HG2 GLN 20 17.281 -7.861 -6.168
163 HG3 GLN 20 HG3 GLN 20 17.703 -6.557 -7.277
164 HE21 GLN 20 HE12 GLN 20 15.257 -6.725 -7.431
165 HE22 GLN 20 HE22 GLN 20 14.640 -7.737 -8.688
Start of MODEL 7
1 H1 SER 1 H SER 1 2.605 0.837 -2.761
2 HA SER 1 HA SER 1 4.252 0.764 -5.155
3 HB2 SER 1 HB2 SER 1 5.794 0.596 -3.138
4 HB3 SER 1 HB3 SER 1 5.021 -0.950 -2.789
5 HG SER 1 HG SER 1 6.255 -1.802 -4.245
6 H MET 2 H MET 2 3.898 -1.032 -6.433
7 HA MET 2 HA MET 2 1.454 -2.457 -5.914
8 HB2 MET 2 HB2 MET 2 3.374 -2.270 -8.194
9 HB3 MET 2 HB3 MET 2 2.264 -3.632 -8.136
10 HG2 MET 2 HG2 MET 2 1.098 -2.118 -9.405
11 HG3 MET 2 HG3 MET 2 0.450 -1.819 -7.794
12 HE1 MET 2 HE1 MET 2 -0.388 0.132 -7.640
13 HE2 MET 2 HE2 MET 2 0.421 1.699 -7.651
14 HE3 MET 2 HE3 MET 2 -0.241 1.038 -9.147
15 H HIS 3 H HIS 3 1.442 -4.124 -4.556
16 HA HIS 3 HA HIS 3 3.749 -5.659 -3.921
17 HB2 HIS 3 HB2 HIS 3 0.891 -5.655 -3.149
18 HB3 HIS 3 HB3 HIS 3 1.733 -7.193 -2.980
19 HD1 HIS 3 HD1 HIS 3 0.803 -4.609 -0.917
20 HD2 HIS 3 HD2 HIS 3 4.485 -6.393 -1.639
21 HE1 HIS 3 HE1 HIS 3 2.209 -4.088 1.102
22 HA PRO 4 HA PRO 4 3.700 -8.892 -6.884
23 HB2 PRO 4 HB2 PRO 4 4.300 -11.075 -5.386
24 HB3 PRO 4 HB3 PRO 4 5.482 -9.817 -5.768
25 HG2 PRO 4 HG2 PRO 4 3.880 -10.215 -3.271
26 HG3 PRO 4 HG3 PRO 4 5.591 -9.783 -3.445
27 HD2 PRO 4 HD2 PRO 4 3.675 -7.950 -2.896
28 HD3 PRO 4 HD3 PRO 4 5.120 -7.564 -3.852
29 H GLY 5 H GLY 5 1.249 -8.488 -6.967
30 HA2 GLY 5 HA2 GLY 5 -0.294 -10.675 -5.774
31 HA3 GLY 5 HA3 GLY 5 -0.957 -9.243 -6.548
32 H HIS 6 H HIS 6 0.928 -9.601 -8.845
33 HA HIS 6 HA HIS 6 -0.805 -11.247 -10.429
34 HB2 HIS 6 HB2 HIS 6 0.547 -9.102 -11.098
35 HB3 HIS 6 HB3 HIS 6 1.844 -10.251 -11.414
36 HD1 HIS 6 HD1 HIS 6 -0.278 -12.462 -12.496
37 HD2 HIS 6 HD2 HIS 6 0.245 -8.563 -13.832
38 HE1 HIS 6 HE1 HIS 6 -1.161 -12.434 -14.851
39 H LEU 7 H LEU 7 2.543 -11.484 -9.289
40 HA LEU 7 HA LEU 7 3.052 -13.981 -10.564
41 HB2 LEU 7 HB2 LEU 7 5.052 -14.043 -9.110
42 HB3 LEU 7 HB3 LEU 7 4.890 -12.549 -10.030
43 HG LEU 7 HG LEU 7 3.676 -12.180 -7.475
44 HD11 LEU 7 HD11 LEU 7 4.901 -13.542 -6.191
45 HD12 LEU 7 HD12 LEU 7 6.198 -12.378 -6.458
46 HD13 LEU 7 HD13 LEU 7 6.093 -13.827 -7.458
47 HD21 LEU 7 HD21 LEU 7 5.967 -10.701 -7.481
48 HD22 LEU 7 HD22 LEU 7 4.445 -10.214 -8.227
49 HD23 LEU 7 HD23 LEU 7 5.704 -10.969 -9.204
50 H LYS 8 H LYS 8 1.225 -13.133 -7.877
51 HA LYS 8 HA LYS 8 1.560 -14.917 -5.902
52 HB2 LYS 8 HB2 LYS 8 -0.905 -13.880 -7.225
53 HB3 LYS 8 HB3 LYS 8 -1.079 -15.160 -6.030
54 HG2 LYS 8 HG2 LYS 8 -0.036 -13.799 -4.345
55 HG3 LYS 8 HG3 LYS 8 0.322 -12.541 -5.531
56 HD2 LYS 8 HD2 LYS 8 -1.997 -12.053 -5.821
57 HD3 LYS 8 HD3 LYS 8 -2.471 -13.465 -4.874
58 HE2 LYS 8 HE2 LYS 8 -1.768 -12.491 -2.864
59 HE3 LYS 8 HE3 LYS 8 -0.795 -11.275 -3.690
60 HZ1 LYS 8 HZ1 LYS 8 -3.551 -11.193 -2.953
61 HZ2 LYS 8 HZ2 LYS 8 -3.340 -10.855 -4.597
62 HZ3 LYS 8 HZ3 LYS 8 -2.529 -9.933 -3.434
63 H GLY 9 H GLY 9 0.426 -15.671 -9.137
64 HA2 GLY 9 HA2 GLY 9 -0.475 -18.295 -8.661
65 HA3 GLY 9 HA3 GLY 9 0.075 -17.670 -10.209
66 H ARG 10 H ARG 10 1.669 -18.815 -11.053
67 HA ARG 10 HA ARG 10 3.282 -20.543 -9.391
68 HB2 ARG 10 HB2 ARG 10 2.377 -21.192 -11.656
69 HB3 ARG 10 HB3 ARG 10 3.532 -20.070 -12.362
70 HG2 ARG 10 HG2 ARG 10 5.337 -21.383 -11.174
71 HG3 ARG 10 HG3 ARG 10 4.096 -22.591 -10.834
72 HD2 ARG 10 HD2 ARG 10 5.131 -23.342 -12.796
73 HD3 ARG 10 HD3 ARG 10 3.640 -22.578 -13.344
74 HE ARG 10 HE ARG 10 5.917 -20.820 -13.337
75 HH11 ARG 10 HH11 ARG 10 4.121 -23.185 -15.154
76 HH12 ARG 10 HH12 ARG 10 4.680 -22.618 -16.693
77 HH21 ARG 10 HH21 ARG 10 6.660 -20.065 -15.357
78 HH22 ARG 10 HH22 ARG 10 6.125 -20.844 -16.807
79 H GLU 11 H GLU 11 3.644 -17.536 -11.142
80 HA GLU 11 HA GLU 11 6.413 -17.339 -11.266
81 HB2 GLU 11 HB2 GLU 11 4.152 -15.438 -11.284
82 HB3 GLU 11 HB3 GLU 11 5.707 -14.757 -10.828
83 HG2 GLU 11 HG2 GLU 11 5.205 -14.563 -13.237
84 HG3 GLU 11 HG3 GLU 11 6.692 -15.446 -12.894
85 H ILE 12 H ILE 12 4.325 -17.217 -8.544
86 HA ILE 12 HA ILE 12 5.652 -15.633 -6.729
87 HB ILE 12 HB ILE 12 3.508 -16.809 -6.289
88 HG12 ILE 12 HG12 ILE 12 5.355 -17.582 -4.068
89 HG13 ILE 12 HG13 ILE 12 5.235 -15.884 -4.516
90 HG21 ILE 12 HG21 ILE 12 5.037 -19.216 -5.418
91 HG22 ILE 12 HG22 ILE 12 3.340 -19.063 -5.871
92 HG23 ILE 12 HG23 ILE 12 4.590 -19.044 -7.115
93 HD11 ILE 12 HD11 ILE 12 3.234 -15.660 -3.559
94 HD12 ILE 12 HD12 ILE 12 2.654 -17.204 -4.182
95 HD13 ILE 12 HD13 ILE 12 3.640 -17.157 -2.721
96 H GLY 13 H GLY 13 6.640 -18.673 -8.060
97 HA2 GLY 13 HA2 GLY 13 8.379 -19.652 -6.142
98 HA3 GLY 13 HA3 GLY 13 8.613 -19.835 -7.874
99 H MET 14 H MET 14 8.858 -16.991 -8.390
100 HA MET 14 HA MET 14 11.658 -16.726 -7.768
101 HB2 MET 14 HB2 MET 14 10.585 -16.093 -9.973
102 HB3 MET 14 HB3 MET 14 9.893 -14.704 -9.147
103 HG2 MET 14 HG2 MET 14 11.778 -13.804 -10.095
104 HG3 MET 14 HG3 MET 14 12.343 -14.202 -8.474
105 HE1 MET 14 HE1 MET 14 15.305 -14.711 -11.039
106 HE2 MET 14 HE2 MET 14 14.221 -13.452 -10.447
107 HE3 MET 14 HE3 MET 14 15.179 -14.399 -9.308
108 H TRP 15 H TRP 15 8.683 -15.562 -6.485
109 HA TRP 15 HA TRP 15 9.353 -13.149 -5.341
110 HB2 TRP 15 HB2 TRP 15 7.104 -14.307 -5.288
111 HB3 TRP 15 HB3 TRP 15 7.714 -15.266 -3.942
112 HD1 TRP 15 HD1 TRP 15 8.634 -11.575 -4.130
113 HE1 TRP 15 HE1 TRP 15 7.450 -10.324 -2.217
114 HE3 TRP 15 HE3 TRP 15 5.599 -15.333 -2.457
115 HZ2 TRP 15 HZ2 TRP 15 5.490 -10.859 -0.258
116 HZ3 TRP 15 HZ3 TRP 15 4.100 -14.882 -0.559
117 HH2 TRP 15 HH2 TRP 15 4.048 -12.691 0.517
118 H TYR 16 H TYR 16 9.517 -16.289 -3.647
119 HA TYR 16 HA TYR 16 10.833 -15.436 -1.378
120 HB2 TYR 16 HB2 TYR 16 9.924 -17.826 -2.221
121 HB3 TYR 16 HB3 TYR 16 11.651 -18.082 -2.441
122 HD1 TYR 16 HD1 TYR 16 9.207 -16.881 0.112
123 HD2 TYR 16 HD2 TYR 16 12.922 -18.812 -0.645
124 HE1 TYR 16 HE1 TYR 16 9.433 -17.375 2.511
125 HE2 TYR 16 HE2 TYR 16 13.158 -19.312 1.752
126 HH TYR 16 HH TYR 16 12.317 -18.998 3.789
127 H ALA 17 H ALA 17 12.262 -16.633 -4.404
128 HA ALA 17 HA ALA 17 14.935 -16.575 -3.722
129 HB1 ALA 17 HB1 ALA 17 14.676 -15.598 -6.388
130 HB2 ALA 17 HB2 ALA 17 15.131 -17.211 -5.837
131 HB3 ALA 17 HB3 ALA 17 13.433 -16.815 -6.099
132 H LYS 18 H LYS 18 12.799 -13.916 -4.499
133 HA LYS 18 HA LYS 18 14.807 -11.948 -4.887
134 HB2 LYS 18 HB2 LYS 18 12.346 -11.840 -5.572
135 HB3 LYS 18 HB3 LYS 18 12.009 -11.415 -3.899
136 HG2 LYS 18 HG2 LYS 18 12.177 -9.332 -4.777
137 HG3 LYS 18 HG3 LYS 18 13.874 -9.597 -4.370
138 HD2 LYS 18 HD2 LYS 18 14.483 -9.946 -6.573
139 HD3 LYS 18 HD3 LYS 18 12.851 -10.412 -7.058
140 HE2 LYS 18 HE2 LYS 18 13.410 -7.630 -6.107
141 HE3 LYS 18 HE3 LYS 18 13.793 -8.095 -7.764
142 HZ1 LYS 18 HZ1 LYS 18 11.359 -7.262 -6.825
143 HZ2 LYS 18 HZ2 LYS 18 11.175 -8.932 -7.016
144 HZ3 LYS 18 HZ3 LYS 18 11.663 -7.980 -8.326
145 H LYS 19 H LYS 19 15.870 -10.672 -3.479
146 HA LYS 19 HA LYS 19 15.052 -10.670 -0.665
147 HB2 LYS 19 HB2 LYS 19 16.990 -12.346 -1.354
148 HB3 LYS 19 HB3 LYS 19 17.967 -10.886 -1.266
149 HG2 LYS 19 HG2 LYS 19 16.168 -11.490 1.015
150 HG3 LYS 19 HG3 LYS 19 17.623 -12.470 0.817
151 HD2 LYS 19 HD2 LYS 19 18.737 -10.086 0.505
152 HD3 LYS 19 HD3 LYS 19 17.342 -9.579 1.459
153 HE2 LYS 19 HE2 LYS 19 17.960 -10.956 3.273
154 HE3 LYS 19 HE3 LYS 19 19.126 -11.849 2.298
155 HZ1 LYS 19 HZ1 LYS 19 20.037 -9.326 2.108
156 HZ2 LYS 19 HZ2 LYS 19 20.600 -10.468 3.221
157 HZ3 LYS 19 HZ3 LYS 19 19.429 -9.339 3.687
158 H GLN 20 H GLN 20 15.643 -8.829 0.497
159 HA GLN 20 HA GLN 20 16.566 -6.590 -1.173
160 HB2 GLN 20 HB2 GLN 20 14.585 -6.812 1.037
161 HB3 GLN 20 HB3 GLN 20 15.494 -5.312 0.908
162 HG2 GLN 20 HG2 GLN 20 13.469 -5.012 -0.276
163 HG3 GLN 20 HG3 GLN 20 14.754 -5.165 -1.473
164 HE21 GLN 20 HE12 GLN 20 12.026 -6.744 0.024
165 HE22 GLN 20 HE22 GLN 20 11.794 -7.939 -1.202
Start of MODEL 8
1 H1 SER 1 H SER 1 2.154 2.574 -3.627
2 HA SER 1 HA SER 1 4.298 0.637 -4.177
3 HB2 SER 1 HB2 SER 1 4.219 0.064 -1.815
4 HB3 SER 1 HB3 SER 1 4.391 1.811 -1.985
5 HG SER 1 HG SER 1 2.363 0.357 -0.878
6 H MET 2 H MET 2 3.515 -1.010 -5.334
7 HA MET 2 HA MET 2 0.866 -2.083 -4.655
8 HB2 MET 2 HB2 MET 2 1.062 -3.267 -6.861
9 HB3 MET 2 HB3 MET 2 1.013 -1.513 -6.970
10 HG2 MET 2 HG2 MET 2 3.393 -1.421 -7.315
11 HG3 MET 2 HG3 MET 2 3.528 -3.160 -7.066
12 HE1 MET 2 HE1 MET 2 4.663 -1.890 -10.170
13 HE2 MET 2 HE2 MET 2 4.934 -3.150 -8.965
14 HE3 MET 2 HE3 MET 2 4.334 -3.577 -10.568
15 H HIS 3 H HIS 3 0.593 -4.415 -4.616
16 HA HIS 3 HA HIS 3 2.954 -5.737 -3.478
17 HB2 HIS 3 HB2 HIS 3 0.030 -5.941 -3.016
18 HB3 HIS 3 HB3 HIS 3 0.951 -7.437 -2.887
19 HD1 HIS 3 HD1 HIS 3 3.499 -6.314 -1.540
20 HD2 HIS 3 HD2 HIS 3 -0.382 -5.392 -0.377
21 HE1 HIS 3 HE1 HIS 3 3.671 -5.590 0.863
22 HA PRO 4 HA PRO 4 3.343 -8.638 -6.744
23 HB2 PRO 4 HB2 PRO 4 3.898 -10.943 -5.421
24 HB3 PRO 4 HB3 PRO 4 5.051 -9.610 -5.553
25 HG2 PRO 4 HG2 PRO 4 3.235 -10.327 -3.283
26 HG3 PRO 4 HG3 PRO 4 4.933 -9.817 -3.240
27 HD2 PRO 4 HD2 PRO 4 2.889 -8.125 -2.703
28 HD3 PRO 4 HD3 PRO 4 4.400 -7.587 -3.465
29 H GLY 5 H GLY 5 0.951 -8.374 -7.150
30 HA2 GLY 5 HA2 GLY 5 -0.660 -10.651 -6.258
31 HA3 GLY 5 HA3 GLY 5 -1.258 -9.219 -7.083
32 H HIS 6 H HIS 6 0.829 -9.354 -9.148
33 HA HIS 6 HA HIS 6 -0.558 -11.083 -10.960
34 HB2 HIS 6 HB2 HIS 6 0.592 -8.835 -11.479
35 HB3 HIS 6 HB3 HIS 6 2.088 -9.762 -11.524
36 HD1 HIS 6 HD1 HIS 6 1.977 -8.807 -14.093
37 HD2 HIS 6 HD2 HIS 6 -0.688 -11.823 -13.059
38 HE1 HIS 6 HE1 HIS 6 1.195 -9.790 -16.272
39 H LEU 7 H LEU 7 2.527 -11.175 -9.264
40 HA LEU 7 HA LEU 7 3.352 -13.613 -10.580
41 HB2 LEU 7 HB2 LEU 7 5.276 -13.501 -9.033
42 HB3 LEU 7 HB3 LEU 7 5.059 -12.042 -9.997
43 HG LEU 7 HG LEU 7 3.689 -11.625 -7.564
44 HD11 LEU 7 HD11 LEU 7 4.768 -12.992 -6.151
45 HD12 LEU 7 HD12 LEU 7 6.064 -11.802 -6.271
46 HD13 LEU 7 HD13 LEU 7 6.109 -13.258 -7.266
47 HD21 LEU 7 HD21 LEU 7 6.358 -10.440 -7.890
48 HD22 LEU 7 HD22 LEU 7 4.791 -9.667 -7.653
49 HD23 LEU 7 HD23 LEU 7 5.268 -10.223 -9.258
50 H LYS 8 H LYS 8 1.353 -12.812 -7.995
51 HA LYS 8 HA LYS 8 1.716 -14.541 -5.970
52 HB2 LYS 8 HB2 LYS 8 -0.610 -14.519 -5.570
53 HB3 LYS 8 HB3 LYS 8 -0.271 -13.002 -6.392
54 HG2 LYS 8 HG2 LYS 8 -2.090 -13.627 -7.578
55 HG3 LYS 8 HG3 LYS 8 -0.866 -14.481 -8.521
56 HD2 LYS 8 HD2 LYS 8 -1.506 -16.529 -7.750
57 HD3 LYS 8 HD3 LYS 8 -2.027 -15.897 -6.186
58 HE2 LYS 8 HE2 LYS 8 -3.493 -15.499 -8.793
59 HE3 LYS 8 HE3 LYS 8 -3.901 -16.712 -7.580
60 HZ1 LYS 8 HZ1 LYS 8 -3.907 -14.545 -6.072
61 HZ2 LYS 8 HZ2 LYS 8 -5.280 -15.077 -6.903
62 HZ3 LYS 8 HZ3 LYS 8 -4.333 -13.832 -7.545
63 H GLY 9 H GLY 9 0.775 -15.403 -9.233
64 HA2 GLY 9 HA2 GLY 9 -0.040 -18.055 -8.751
65 HA3 GLY 9 HA3 GLY 9 0.563 -17.433 -10.281
66 H ARG 10 H ARG 10 2.295 -18.444 -11.020
67 HA ARG 10 HA ARG 10 3.862 -20.123 -9.263
68 HB2 ARG 10 HB2 ARG 10 3.427 -19.867 -12.147
69 HB3 ARG 10 HB3 ARG 10 5.102 -20.196 -11.723
70 HG2 ARG 10 HG2 ARG 10 4.272 -22.317 -11.963
71 HG3 ARG 10 HG3 ARG 10 4.061 -22.063 -10.229
72 HD2 ARG 10 HD2 ARG 10 1.858 -21.327 -12.105
73 HD3 ARG 10 HD3 ARG 10 2.106 -23.021 -11.680
74 HE ARG 10 HE ARG 10 1.076 -20.933 -9.983
75 HH11 ARG 10 HH11 ARG 10 2.600 -24.061 -10.103
76 HH12 ARG 10 HH12 ARG 10 2.047 -24.535 -8.531
77 HH21 ARG 10 HH21 ARG 10 0.342 -21.546 -7.912
78 HH22 ARG 10 HH22 ARG 10 0.762 -23.104 -7.286
79 H GLU 11 H GLU 11 4.241 -17.116 -11.035
80 HA GLU 11 HA GLU 11 6.994 -16.793 -10.910
81 HB2 GLU 11 HB2 GLU 11 4.666 -14.969 -11.111
82 HB3 GLU 11 HB3 GLU 11 6.185 -14.242 -10.608
83 HG2 GLU 11 HG2 GLU 11 5.762 -14.141 -13.049
84 HG3 GLU 11 HG3 GLU 11 7.270 -14.940 -12.610
85 H ILE 12 H ILE 12 4.667 -16.718 -8.384
86 HA ILE 12 HA ILE 12 5.752 -15.056 -6.486
87 HB ILE 12 HB ILE 12 3.644 -16.346 -6.215
88 HG12 ILE 12 HG12 ILE 12 5.551 -16.771 -3.909
89 HG13 ILE 12 HG13 ILE 12 4.850 -15.209 -4.317
90 HG21 ILE 12 HG21 ILE 12 3.568 -18.601 -5.754
91 HG22 ILE 12 HG22 ILE 12 4.899 -18.525 -6.908
92 HG23 ILE 12 HG23 ILE 12 5.235 -18.649 -5.181
93 HD11 ILE 12 HD11 ILE 12 3.543 -16.089 -2.574
94 HD12 ILE 12 HD12 ILE 12 2.592 -16.301 -4.044
95 HD13 ILE 12 HD13 ILE 12 3.446 -17.674 -3.341
96 H GLY 13 H GLY 13 7.002 -18.065 -7.668
97 HA2 GLY 13 HA2 GLY 13 8.623 -18.918 -5.595
98 HA3 GLY 13 HA3 GLY 13 9.012 -19.114 -7.298
99 H MET 14 H MET 14 9.163 -16.279 -7.857
100 HA MET 14 HA MET 14 11.877 -15.852 -6.991
101 HB2 MET 14 HB2 MET 14 10.029 -14.213 -8.731
102 HB3 MET 14 HB3 MET 14 11.703 -13.788 -8.404
103 HG2 MET 14 HG2 MET 14 10.884 -16.398 -9.645
104 HG3 MET 14 HG3 MET 14 11.264 -14.955 -10.583
105 HE1 MET 14 HE1 MET 14 14.788 -15.444 -11.303
106 HE2 MET 14 HE2 MET 14 13.132 -15.183 -11.850
107 HE3 MET 14 HE3 MET 14 13.918 -13.989 -10.817
108 H TRP 15 H TRP 15 8.740 -14.820 -6.018
109 HA TRP 15 HA TRP 15 9.166 -12.347 -4.890
110 HB2 TRP 15 HB2 TRP 15 6.980 -13.543 -4.982
111 HB3 TRP 15 HB3 TRP 15 7.524 -14.569 -3.658
112 HD1 TRP 15 HD1 TRP 15 8.311 -10.839 -3.567
113 HE1 TRP 15 HE1 TRP 15 6.961 -9.751 -1.666
114 HE3 TRP 15 HE3 TRP 15 5.340 -14.805 -2.311
115 HZ2 TRP 15 HZ2 TRP 15 4.908 -10.479 0.130
116 HZ3 TRP 15 HZ3 TRP 15 3.709 -14.527 -0.490
117 HH2 TRP 15 HH2 TRP 15 3.500 -12.408 0.705
118 H TYR 16 H TYR 16 9.363 -15.423 -3.087
119 HA TYR 16 HA TYR 16 10.684 -14.212 -0.871
120 HB2 TYR 16 HB2 TYR 16 10.719 -16.366 0.099
121 HB3 TYR 16 HB3 TYR 16 9.238 -16.318 -0.850
122 HD1 TYR 16 HD1 TYR 16 12.628 -17.718 -0.635
123 HD2 TYR 16 HD2 TYR 16 8.963 -17.713 -2.797
124 HE1 TYR 16 HE1 TYR 16 13.331 -19.755 -1.820
125 HE2 TYR 16 HE2 TYR 16 9.656 -19.751 -3.987
126 HH TYR 16 HH TYR 16 11.170 -21.596 -3.753
127 H ALA 17 H ALA 17 11.734 -15.698 -3.821
128 HA ALA 17 HA ALA 17 14.356 -16.405 -3.111
129 HB1 ALA 17 HB1 ALA 17 13.024 -16.935 -5.254
130 HB2 ALA 17 HB2 ALA 17 13.655 -15.396 -5.842
131 HB3 ALA 17 HB3 ALA 17 14.766 -16.687 -5.381
132 H LYS 18 H LYS 18 12.926 -13.339 -4.016
133 HA LYS 18 HA LYS 18 15.326 -11.931 -4.515
134 HB2 LYS 18 HB2 LYS 18 12.577 -11.002 -3.683
135 HB3 LYS 18 HB3 LYS 18 13.892 -9.895 -4.054
136 HG2 LYS 18 HG2 LYS 18 13.292 -11.949 -6.088
137 HG3 LYS 18 HG3 LYS 18 12.082 -10.686 -5.853
138 HD2 LYS 18 HD2 LYS 18 13.392 -9.652 -7.408
139 HD3 LYS 18 HD3 LYS 18 14.231 -9.133 -5.945
140 HE2 LYS 18 HE2 LYS 18 16.013 -10.522 -6.310
141 HE3 LYS 18 HE3 LYS 18 15.050 -11.702 -7.198
142 HZ1 LYS 18 HZ1 LYS 18 15.813 -9.030 -8.245
143 HZ2 LYS 18 HZ2 LYS 18 15.020 -10.259 -9.095
144 HZ3 LYS 18 HZ3 LYS 18 16.626 -10.469 -8.608
145 H LYS 19 H LYS 19 16.046 -10.048 -3.143
146 HA LYS 19 HA LYS 19 15.922 -10.719 -0.279
147 HB2 LYS 19 HB2 LYS 19 18.299 -10.057 -0.090
148 HB3 LYS 19 HB3 LYS 19 18.069 -11.465 -1.118
149 HG2 LYS 19 HG2 LYS 19 18.582 -10.304 -3.049
150 HG3 LYS 19 HG3 LYS 19 18.214 -8.737 -2.326
151 HD2 LYS 19 HD2 LYS 19 20.497 -8.643 -2.304
152 HD3 LYS 19 HD3 LYS 19 20.219 -9.402 -0.735
153 HE2 LYS 19 HE2 LYS 19 20.544 -11.114 -3.159
154 HE3 LYS 19 HE3 LYS 19 21.970 -10.399 -2.409
155 HZ1 LYS 19 HZ1 LYS 19 21.537 -12.600 -1.532
156 HZ2 LYS 19 HZ2 LYS 19 19.984 -12.138 -1.049
157 HZ3 LYS 19 HZ3 LYS 19 21.339 -11.441 -0.316
158 H GLN 20 H GLN 20 16.103 -8.974 1.175
159 HA GLN 20 HA GLN 20 14.994 -6.522 0.188
160 HB2 GLN 20 HB2 GLN 20 14.463 -7.595 2.419
161 HB3 GLN 20 HB3 GLN 20 16.044 -7.053 2.967
162 HG2 GLN 20 HG2 GLN 20 14.291 -5.533 3.682
163 HG3 GLN 20 HG3 GLN 20 15.409 -4.742 2.572
164 HE21 GLN 20 HE12 GLN 20 14.226 -3.273 1.552
165 HE22 GLN 20 HE22 GLN 20 12.742 -3.578 0.723
Start of MODEL 9
1 H1 SER 1 H SER 1 4.862 1.054 -2.197
2 HA SER 1 HA SER 1 2.850 -0.212 -1.001
3 HB2 SER 1 HB2 SER 1 2.767 2.104 -1.990
4 HB3 SER 1 HB3 SER 1 2.369 1.362 -3.539
5 HG SER 1 HG SER 1 0.642 2.079 -1.849
6 H MET 2 H MET 2 3.396 -0.466 -4.515
7 HA MET 2 HA MET 2 1.376 -2.385 -4.962
8 HB2 MET 2 HB2 MET 2 2.502 -0.922 -6.695
9 HB3 MET 2 HB3 MET 2 3.872 -2.022 -6.620
10 HG2 MET 2 HG2 MET 2 2.378 -3.871 -7.283
11 HG3 MET 2 HG3 MET 2 1.063 -2.710 -7.447
12 HE1 MET 2 HE1 MET 2 0.598 -3.260 -10.125
13 HE2 MET 2 HE2 MET 2 0.439 -1.652 -9.417
14 HE3 MET 2 HE3 MET 2 1.217 -1.851 -10.988
15 H HIS 3 H HIS 3 1.324 -4.365 -4.140
16 HA HIS 3 HA HIS 3 3.813 -5.737 -3.480
17 HB2 HIS 3 HB2 HIS 3 0.986 -5.947 -2.625
18 HB3 HIS 3 HB3 HIS 3 1.886 -7.460 -2.686
19 HD1 HIS 3 HD1 HIS 3 1.849 -7.675 -0.112
20 HD2 HIS 3 HD2 HIS 3 3.748 -4.251 -1.502
21 HE1 HIS 3 HE1 HIS 3 3.079 -6.737 1.870
22 HA PRO 4 HA PRO 4 3.782 -8.566 -6.831
23 HB2 PRO 4 HB2 PRO 4 4.515 -10.894 -5.643
24 HB3 PRO 4 HB3 PRO 4 5.635 -9.551 -5.896
25 HG2 PRO 4 HG2 PRO 4 4.137 -10.329 -3.424
26 HG3 PRO 4 HG3 PRO 4 5.823 -9.808 -3.592
27 HD2 PRO 4 HD2 PRO 4 3.861 -8.141 -2.755
28 HD3 PRO 4 HD3 PRO 4 5.256 -7.576 -3.697
29 H GLY 5 H GLY 5 1.336 -8.285 -6.855
30 HA2 GLY 5 HA2 GLY 5 -0.107 -10.630 -5.856
31 HA3 GLY 5 HA3 GLY 5 -0.833 -9.161 -6.491
32 H HIS 6 H HIS 6 1.093 -9.283 -8.813
33 HA HIS 6 HA HIS 6 -0.617 -10.807 -10.541
34 HB2 HIS 6 HB2 HIS 6 0.934 -8.601 -10.909
35 HB3 HIS 6 HB3 HIS 6 1.955 -9.846 -11.621
36 HD1 HIS 6 HD1 HIS 6 0.096 -11.567 -13.150
37 HD2 HIS 6 HD2 HIS 6 -0.407 -7.448 -12.942
38 HE1 HIS 6 HE1 HIS 6 -1.285 -10.956 -15.161
39 H LEU 7 H LEU 7 2.770 -11.055 -9.499
40 HA LEU 7 HA LEU 7 3.303 -13.435 -10.956
41 HB2 LEU 7 HB2 LEU 7 5.313 -13.580 -9.514
42 HB3 LEU 7 HB3 LEU 7 5.122 -12.027 -10.324
43 HG LEU 7 HG LEU 7 3.916 -11.852 -7.749
44 HD11 LEU 7 HD11 LEU 7 5.150 -13.297 -6.567
45 HD12 LEU 7 HD12 LEU 7 6.436 -12.104 -6.743
46 HD13 LEU 7 HD13 LEU 7 6.349 -13.476 -7.848
47 HD21 LEU 7 HD21 LEU 7 4.797 -9.831 -7.990
48 HD22 LEU 7 HD22 LEU 7 5.579 -10.374 -9.475
49 HD23 LEU 7 HD23 LEU 7 6.428 -10.498 -7.934
50 H LYS 8 H LYS 8 1.485 -12.852 -8.192
51 HA LYS 8 HA LYS 8 1.872 -14.787 -6.377
52 HB2 LYS 8 HB2 LYS 8 -0.617 -13.683 -7.588
53 HB3 LYS 8 HB3 LYS 8 -0.768 -15.077 -6.526
54 HG2 LYS 8 HG2 LYS 8 0.271 -13.868 -4.718
55 HG3 LYS 8 HG3 LYS 8 0.575 -12.488 -5.776
56 HD2 LYS 8 HD2 LYS 8 -1.344 -11.848 -4.639
57 HD3 LYS 8 HD3 LYS 8 -1.989 -12.512 -6.142
58 HE2 LYS 8 HE2 LYS 8 -2.815 -14.391 -5.114
59 HE3 LYS 8 HE3 LYS 8 -1.631 -14.330 -3.810
60 HZ1 LYS 8 HZ1 LYS 8 -2.828 -12.706 -2.693
61 HZ2 LYS 8 HZ2 LYS 8 -4.041 -13.729 -3.280
62 HZ3 LYS 8 HZ3 LYS 8 -3.722 -12.261 -4.059
63 H GLY 9 H GLY 9 0.725 -15.295 -9.655
64 HA2 GLY 9 HA2 GLY 9 -0.116 -17.967 -9.395
65 HA3 GLY 9 HA3 GLY 9 0.413 -17.205 -10.888
66 H ARG 10 H ARG 10 2.032 -18.231 -11.831
67 HA ARG 10 HA ARG 10 3.685 -20.064 -10.328
68 HB2 ARG 10 HB2 ARG 10 3.039 -19.585 -13.140
69 HB3 ARG 10 HB3 ARG 10 4.736 -19.965 -12.876
70 HG2 ARG 10 HG2 ARG 10 2.453 -21.641 -11.860
71 HG3 ARG 10 HG3 ARG 10 3.309 -21.934 -13.375
72 HD2 ARG 10 HD2 ARG 10 5.423 -22.108 -12.072
73 HD3 ARG 10 HD3 ARG 10 4.470 -21.976 -10.593
74 HE ARG 10 HE ARG 10 4.812 -24.299 -12.202
75 HH11 ARG 10 HH11 ARG 10 2.534 -22.632 -10.164
76 HH12 ARG 10 HH12 ARG 10 1.679 -24.072 -9.719
77 HH21 ARG 10 HH21 ARG 10 3.695 -26.202 -11.624
78 HH22 ARG 10 HH22 ARG 10 2.341 -26.102 -10.550
79 H GLU 11 H GLU 11 3.984 -16.914 -11.822
80 HA GLU 11 HA GLU 11 6.748 -16.650 -11.923
81 HB2 GLU 11 HB2 GLU 11 4.450 -14.796 -11.779
82 HB3 GLU 11 HB3 GLU 11 5.998 -14.128 -11.283
83 HG2 GLU 11 HG2 GLU 11 5.462 -13.757 -13.668
84 HG3 GLU 11 HG3 GLU 11 6.973 -14.624 -13.404
85 H ILE 12 H ILE 12 4.657 -16.796 -9.205
86 HA ILE 12 HA ILE 12 5.949 -15.340 -7.263
87 HB ILE 12 HB ILE 12 3.832 -16.599 -6.928
88 HG12 ILE 12 HG12 ILE 12 5.756 -17.458 -4.791
89 HG13 ILE 12 HG13 ILE 12 5.462 -15.746 -5.074
90 HG21 ILE 12 HG21 ILE 12 4.717 -18.715 -7.962
91 HG22 ILE 12 HG22 ILE 12 5.575 -19.004 -6.450
92 HG23 ILE 12 HG23 ILE 12 3.813 -18.926 -6.463
93 HD11 ILE 12 HD11 ILE 12 3.792 -15.974 -3.626
94 HD12 ILE 12 HD12 ILE 12 2.929 -16.781 -4.937
95 HD13 ILE 12 HD13 ILE 12 3.813 -17.734 -3.745
96 H GLY 13 H GLY 13 7.004 -18.239 -8.837
97 HA2 GLY 13 HA2 GLY 13 8.766 -19.331 -7.004
98 HA3 GLY 13 HA3 GLY 13 9.002 -19.368 -8.745
99 H MET 14 H MET 14 9.184 -16.487 -9.028
100 HA MET 14 HA MET 14 11.977 -16.211 -8.385
101 HB2 MET 14 HB2 MET 14 10.028 -14.354 -9.755
102 HB3 MET 14 HB3 MET 14 11.740 -14.008 -9.554
103 HG2 MET 14 HG2 MET 14 10.688 -16.429 -10.990
104 HG3 MET 14 HG3 MET 14 11.088 -14.909 -11.788
105 HE1 MET 14 HE1 MET 14 11.894 -17.995 -10.271
106 HE2 MET 14 HE2 MET 14 13.271 -18.421 -11.287
107 HE3 MET 14 HE3 MET 14 13.532 -17.896 -9.623
108 H TRP 15 H TRP 15 8.979 -15.221 -7.014
109 HA TRP 15 HA TRP 15 9.598 -12.895 -5.677
110 HB2 TRP 15 HB2 TRP 15 7.373 -14.091 -5.719
111 HB3 TRP 15 HB3 TRP 15 8.003 -15.157 -4.466
112 HD1 TRP 15 HD1 TRP 15 8.856 -11.448 -4.318
113 HE1 TRP 15 HE1 TRP 15 7.654 -10.397 -2.300
114 HE3 TRP 15 HE3 TRP 15 5.893 -15.397 -2.991
115 HZ2 TRP 15 HZ2 TRP 15 5.708 -11.143 -0.396
116 HZ3 TRP 15 HZ3 TRP 15 4.390 -15.147 -1.059
117 HH2 TRP 15 HH2 TRP 15 4.301 -13.064 0.210
118 H TYR 16 H TYR 16 9.868 -16.172 -4.283
119 HA TYR 16 HA TYR 16 11.139 -15.495 -1.930
120 HB2 TYR 16 HB2 TYR 16 10.344 -17.829 -3.038
121 HB3 TYR 16 HB3 TYR 16 12.087 -17.985 -3.222
122 HD1 TYR 16 HD2 TYR 16 9.455 -17.276 -0.686
123 HD2 TYR 16 HD1 TYR 16 13.393 -18.707 -1.428
124 HE1 TYR 16 HE2 TYR 16 9.631 -17.990 1.661
125 HE2 TYR 16 HE1 TYR 16 13.580 -19.426 0.917
126 HH TYR 16 HH TYR 16 12.226 -19.966 2.790
127 H ALA 17 H ALA 17 12.604 -16.256 -5.071
128 HA ALA 17 HA ALA 17 15.278 -16.196 -4.378
129 HB1 ALA 17 HB1 ALA 17 14.356 -16.817 -6.605
130 HB2 ALA 17 HB2 ALA 17 14.136 -15.099 -6.942
131 HB3 ALA 17 HB3 ALA 17 15.756 -15.747 -6.683
132 H LYS 18 H LYS 18 13.035 -13.553 -4.754
133 HA LYS 18 HA LYS 18 14.950 -11.466 -4.938
134 HB2 LYS 18 HB2 LYS 18 12.521 -11.304 -5.578
135 HB3 LYS 18 HB3 LYS 18 12.134 -11.266 -3.863
136 HG2 LYS 18 HG2 LYS 18 13.301 -9.199 -3.577
137 HG3 LYS 18 HG3 LYS 18 13.928 -9.271 -5.226
138 HD2 LYS 18 HD2 LYS 18 11.921 -8.676 -6.160
139 HD3 LYS 18 HD3 LYS 18 10.978 -9.351 -4.829
140 HE2 LYS 18 HE2 LYS 18 10.800 -6.962 -4.750
141 HE3 LYS 18 HE3 LYS 18 11.792 -7.491 -3.392
142 HZ1 LYS 18 HZ1 LYS 18 13.593 -7.049 -5.381
143 HZ2 LYS 18 HZ2 LYS 18 13.254 -5.993 -4.105
144 HZ3 LYS 18 HZ3 LYS 18 12.478 -5.795 -5.595
145 H LYS 19 H LYS 19 15.962 -10.286 -3.398
146 HA LYS 19 HA LYS 19 15.176 -10.296 -0.651
147 HB2 LYS 19 HB2 LYS 19 16.505 -12.528 -1.209
148 HB3 LYS 19 HB3 LYS 19 17.894 -11.466 -1.022
149 HG2 LYS 19 HG2 LYS 19 15.835 -11.379 1.102
150 HG3 LYS 19 HG3 LYS 19 16.840 -12.827 1.002
151 HD2 LYS 19 HD2 LYS 19 18.786 -11.667 1.464
152 HD3 LYS 19 HD3 LYS 19 18.119 -10.126 0.916
153 HE2 LYS 19 HE2 LYS 19 17.210 -11.586 3.392
154 HE3 LYS 19 HE3 LYS 19 18.417 -10.301 3.388
155 HZ1 LYS 19 HZ1 LYS 19 15.592 -10.043 2.510
156 HZ2 LYS 19 HZ2 LYS 19 16.746 -8.808 2.452
157 HZ3 LYS 19 HZ3 LYS 19 16.248 -9.431 3.944
158 H GLN 20 H GLN 20 16.169 -8.676 0.522
159 HA GLN 20 HA GLN 20 18.302 -7.166 -0.818
160 HB2 GLN 20 HB2 GLN 20 15.787 -5.995 0.381
161 HB3 GLN 20 HB3 GLN 20 17.172 -5.052 -0.151
162 HG2 GLN 20 HG2 GLN 20 16.738 -5.403 -2.370
163 HG3 GLN 20 HG3 GLN 20 15.887 -6.918 -2.076
164 HE21 GLN 20 HE12 GLN 20 13.738 -6.832 -1.279
165 HE22 GLN 20 HE22 GLN 20 12.754 -5.436 -1.542
Start of MODEL 10
1 H1 SER 1 H SER 1 2.981 3.259 -4.951
2 HA SER 1 HA SER 1 4.008 0.821 -4.637
3 HB2 SER 1 HB2 SER 1 2.577 2.390 -2.481
4 HB3 SER 1 HB3 SER 1 3.662 1.035 -2.170
5 HG SER 1 HG SER 1 5.317 2.286 -2.535
6 H MET 2 H MET 2 3.131 -1.068 -5.198
7 HA MET 2 HA MET 2 0.512 -1.764 -4.041
8 HB2 MET 2 HB2 MET 2 -0.056 -3.002 -6.006
9 HB3 MET 2 HB3 MET 2 0.462 -1.404 -6.525
10 HG2 MET 2 HG2 MET 2 2.660 -2.307 -7.101
11 HG3 MET 2 HG3 MET 2 2.129 -3.908 -6.591
12 HE1 MET 2 HE1 MET 2 -0.902 -3.992 -7.699
13 HE2 MET 2 HE2 MET 2 -0.574 -4.814 -9.225
14 HE3 MET 2 HE3 MET 2 0.284 -5.296 -7.761
15 H HIS 3 H HIS 3 0.281 -4.340 -4.373
16 HA HIS 3 HA HIS 3 2.705 -5.498 -3.162
17 HB2 HIS 3 HB2 HIS 3 1.018 -7.196 -2.207
18 HB3 HIS 3 HB3 HIS 3 1.056 -5.585 -1.495
19 HD1 HIS 3 HD1 HIS 3 -0.759 -6.674 -4.646
20 HD2 HIS 3 HD2 HIS 3 -1.557 -5.213 -0.839
21 HE1 HIS 3 HE1 HIS 3 -3.236 -6.243 -4.597
22 HA PRO 4 HA PRO 4 2.998 -8.461 -6.384
23 HB2 PRO 4 HB2 PRO 4 3.841 -10.663 -5.040
24 HB3 PRO 4 HB3 PRO 4 4.877 -9.261 -5.331
25 HG2 PRO 4 HG2 PRO 4 3.342 -10.004 -2.871
26 HG3 PRO 4 HG3 PRO 4 4.995 -9.377 -3.012
27 HD2 PRO 4 HD2 PRO 4 2.894 -7.807 -2.339
28 HD3 PRO 4 HD3 PRO 4 4.282 -7.200 -3.264
29 H GLY 5 H GLY 5 0.539 -8.349 -6.502
30 HA2 GLY 5 HA2 GLY 5 -0.780 -10.729 -5.419
31 HA3 GLY 5 HA3 GLY 5 -1.578 -9.353 -6.166
32 H HIS 6 H HIS 6 0.235 -9.343 -8.471
33 HA HIS 6 HA HIS 6 -1.223 -11.169 -10.111
34 HB2 HIS 6 HB2 HIS 6 0.400 -8.871 -10.505
35 HB3 HIS 6 HB3 HIS 6 1.086 -10.173 -11.472
36 HD1 HIS 6 HD1 HIS 6 -2.223 -8.392 -10.962
37 HD2 HIS 6 HD2 HIS 6 -0.214 -10.643 -13.819
38 HE1 HIS 6 HE1 HIS 6 -3.667 -8.310 -13.019
39 H LEU 7 H LEU 7 2.012 -11.099 -8.734
40 HA LEU 7 HA LEU 7 2.840 -13.479 -10.150
41 HB2 LEU 7 HB2 LEU 7 4.897 -13.270 -8.817
42 HB3 LEU 7 HB3 LEU 7 4.494 -11.796 -9.695
43 HG LEU 7 HG LEU 7 3.374 -11.594 -7.093
44 HD11 LEU 7 HD11 LEU 7 4.769 -12.835 -5.864
45 HD12 LEU 7 HD12 LEU 7 5.944 -11.556 -6.171
46 HD13 LEU 7 HD13 LEU 7 5.932 -13.003 -7.179
47 HD21 LEU 7 HD21 LEU 7 3.913 -9.560 -7.878
48 HD22 LEU 7 HD22 LEU 7 5.248 -10.174 -8.852
49 HD23 LEU 7 HD23 LEU 7 5.476 -9.881 -7.127
50 H LYS 8 H LYS 8 1.059 -12.803 -7.373
51 HA LYS 8 HA LYS 8 1.706 -14.531 -5.418
52 HB2 LYS 8 HB2 LYS 8 -0.552 -14.601 -4.774
53 HB3 LYS 8 HB3 LYS 8 -0.393 -13.083 -5.649
54 HG2 LYS 8 HG2 LYS 8 -1.330 -14.158 -7.650
55 HG3 LYS 8 HG3 LYS 8 -1.533 -15.652 -6.732
56 HD2 LYS 8 HD2 LYS 8 -3.043 -14.510 -5.191
57 HD3 LYS 8 HD3 LYS 8 -2.821 -13.001 -6.079
58 HE2 LYS 8 HE2 LYS 8 -4.883 -13.967 -6.791
59 HE3 LYS 8 HE3 LYS 8 -3.723 -14.156 -8.104
60 HZ1 LYS 8 HZ1 LYS 8 -5.202 -16.142 -7.378
61 HZ2 LYS 8 HZ2 LYS 8 -4.053 -16.328 -6.152
62 HZ3 LYS 8 HZ3 LYS 8 -3.579 -16.407 -7.774
63 H GLY 9 H GLY 9 0.487 -15.404 -8.584
64 HA2 GLY 9 HA2 GLY 9 -0.143 -18.100 -8.058
65 HA3 GLY 9 HA3 GLY 9 0.258 -17.433 -9.633
66 H ARG 10 H ARG 10 1.936 -18.367 -10.570
67 HA ARG 10 HA ARG 10 3.777 -19.964 -9.012
68 HB2 ARG 10 HB2 ARG 10 2.811 -20.603 -11.287
69 HB3 ARG 10 HB3 ARG 10 3.924 -19.428 -11.974
70 HG2 ARG 10 HG2 ARG 10 5.084 -21.434 -10.143
71 HG3 ARG 10 HG3 ARG 10 4.509 -22.017 -11.707
72 HD2 ARG 10 HD2 ARG 10 5.844 -19.993 -12.649
73 HD3 ARG 10 HD3 ARG 10 6.675 -20.047 -11.095
74 HE ARG 10 HE ARG 10 7.736 -21.972 -11.758
75 HH11 ARG 10 HH11 ARG 10 5.122 -21.269 -13.948
76 HH12 ARG 10 HH12 ARG 10 5.585 -22.481 -15.096
77 HH21 ARG 10 HH21 ARG 10 8.356 -23.570 -13.263
78 HH22 ARG 10 HH22 ARG 10 7.425 -23.789 -14.706
79 H GLU 11 H GLU 11 3.790 -16.931 -10.774
80 HA GLU 11 HA GLU 11 6.519 -16.467 -10.978
81 HB2 GLU 11 HB2 GLU 11 4.088 -14.787 -10.913
82 HB3 GLU 11 HB3 GLU 11 5.590 -13.964 -10.516
83 HG2 GLU 11 HG2 GLU 11 4.838 -13.948 -12.945
84 HG3 GLU 11 HG3 GLU 11 6.515 -14.378 -12.612
85 H ILE 12 H ILE 12 4.514 -16.537 -8.191
86 HA ILE 12 HA ILE 12 5.728 -14.835 -6.412
87 HB ILE 12 HB ILE 12 3.741 -16.253 -5.915
88 HG12 ILE 12 HG12 ILE 12 5.806 -16.713 -3.782
89 HG13 ILE 12 HG13 ILE 12 5.290 -15.081 -4.188
90 HG21 ILE 12 HG21 ILE 12 3.854 -18.508 -5.484
91 HG22 ILE 12 HG22 ILE 12 5.056 -18.348 -6.764
92 HG23 ILE 12 HG23 ILE 12 5.570 -18.455 -5.080
93 HD11 ILE 12 HD11 ILE 12 4.134 -16.601 -2.302
94 HD12 ILE 12 HD12 ILE 12 3.294 -15.329 -3.190
95 HD13 ILE 12 HD13 ILE 12 3.130 -17.012 -3.692
96 H GLY 13 H GLY 13 6.991 -17.757 -7.782
97 HA2 GLY 13 HA2 GLY 13 8.895 -18.534 -5.932
98 HA3 GLY 13 HA3 GLY 13 9.084 -18.695 -7.672
99 H MET 14 H MET 14 9.001 -15.843 -8.191
100 HA MET 14 HA MET 14 11.776 -15.273 -7.667
101 HB2 MET 14 HB2 MET 14 9.712 -13.530 -9.022
102 HB3 MET 14 HB3 MET 14 11.459 -13.345 -9.102
103 HG2 MET 14 HG2 MET 14 11.477 -15.682 -10.131
104 HG3 MET 14 HG3 MET 14 9.742 -15.461 -10.344
105 HE1 MET 14 HE1 MET 14 13.339 -13.815 -12.140
106 HE2 MET 14 HE2 MET 14 12.917 -15.415 -11.531
107 HE3 MET 14 HE3 MET 14 12.616 -15.007 -13.221
108 H TRP 15 H TRP 15 8.738 -14.437 -6.282
109 HA TRP 15 HA TRP 15 9.165 -11.961 -5.166
110 HB2 TRP 15 HB2 TRP 15 7.065 -13.327 -5.008
111 HB3 TRP 15 HB3 TRP 15 7.839 -14.273 -3.739
112 HD1 TRP 15 HD1 TRP 15 8.204 -10.458 -3.922
113 HE1 TRP 15 HE1 TRP 15 7.072 -9.430 -1.852
114 HE3 TRP 15 HE3 TRP 15 6.060 -14.678 -1.990
115 HZ2 TRP 15 HZ2 TRP 15 5.481 -10.293 0.313
116 HZ3 TRP 15 HZ3 TRP 15 4.750 -14.491 0.084
117 HH2 TRP 15 HH2 TRP 15 4.467 -12.343 1.211
118 H TYR 16 H TYR 16 9.770 -15.043 -3.468
119 HA TYR 16 HA TYR 16 11.297 -13.785 -1.416
120 HB2 TYR 16 HB2 TYR 16 11.580 -15.946 -0.504
121 HB3 TYR 16 HB3 TYR 16 9.987 -15.973 -1.251
122 HD1 TYR 16 HD1 TYR 16 13.450 -17.172 -1.510
123 HD2 TYR 16 HD2 TYR 16 9.538 -17.357 -3.171
124 HE1 TYR 16 HE1 TYR 16 14.106 -19.149 -2.819
125 HE2 TYR 16 HE2 TYR 16 10.182 -19.335 -4.484
126 HH TYR 16 HH TYR 16 12.240 -20.366 -5.368
127 H ALA 17 H ALA 17 12.040 -15.202 -4.497
128 HA ALA 17 HA ALA 17 14.735 -15.813 -4.200
129 HB1 ALA 17 HB1 ALA 17 14.910 -15.666 -6.582
130 HB2 ALA 17 HB2 ALA 17 13.326 -16.333 -6.187
131 HB3 ALA 17 HB3 ALA 17 13.475 -14.645 -6.675
132 H LYS 18 H LYS 18 13.153 -12.732 -4.432
133 HA LYS 18 HA LYS 18 15.560 -11.262 -5.037
134 HB2 LYS 18 HB2 LYS 18 13.263 -10.535 -5.744
135 HB3 LYS 18 HB3 LYS 18 12.908 -10.197 -4.055
136 HG2 LYS 18 HG2 LYS 18 13.490 -8.125 -4.903
137 HG3 LYS 18 HG3 LYS 18 14.984 -8.679 -4.143
138 HD2 LYS 18 HD2 LYS 18 16.024 -9.066 -6.164
139 HD3 LYS 18 HD3 LYS 18 14.499 -9.281 -7.027
140 HE2 LYS 18 HE2 LYS 18 14.132 -6.771 -6.454
141 HE3 LYS 18 HE3 LYS 18 15.877 -6.755 -6.206
142 HZ1 LYS 18 HZ1 LYS 18 16.197 -7.518 -8.452
143 HZ2 LYS 18 HZ2 LYS 18 15.241 -6.123 -8.470
144 HZ3 LYS 18 HZ3 LYS 18 14.528 -7.640 -8.699
145 H LYS 19 H LYS 19 16.967 -11.843 -3.351
146 HA LYS 19 HA LYS 19 16.197 -11.046 -0.640
147 HB2 LYS 19 HB2 LYS 19 18.723 -12.455 -1.510
148 HB3 LYS 19 HB3 LYS 19 18.100 -12.300 0.127
149 HG2 LYS 19 HG2 LYS 19 16.057 -13.590 -0.751
150 HG3 LYS 19 HG3 LYS 19 17.099 -14.016 -2.111
151 HD2 LYS 19 HD2 LYS 19 17.470 -15.784 -0.678
152 HD3 LYS 19 HD3 LYS 19 18.785 -14.693 -0.233
153 HE2 LYS 19 HE2 LYS 19 17.894 -15.356 1.817
154 HE3 LYS 19 HE3 LYS 19 17.159 -13.779 1.531
155 HZ1 LYS 19 HZ1 LYS 19 15.496 -15.680 0.374
156 HZ2 LYS 19 HZ2 LYS 19 15.190 -14.735 1.743
157 HZ3 LYS 19 HZ3 LYS 19 15.893 -16.265 1.911
158 H GLN 20 H GLN 20 17.130 -9.381 0.433
159 HA GLN 20 HA GLN 20 18.243 -7.245 -0.920
160 HB2 GLN 20 HB2 GLN 20 18.773 -6.302 1.232
161 HB3 GLN 20 HB3 GLN 20 17.237 -7.150 1.353
162 HG2 GLN 20 HG2 GLN 20 18.716 -9.132 2.172
163 HG3 GLN 20 HG3 GLN 20 19.890 -7.861 2.509
164 HE21 GLN 20 HE12 GLN 20 16.942 -9.348 3.447
165 HE22 GLN 20 HE22 GLN 20 16.668 -8.416 4.876