Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
473315 | 2nvj RC | 15025 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 1HT GLU 1 11.124 2.512 -19.152
2 H2 GLU 1 2HT GLU 1 10.095 3.839 -18.933
3 H3 GLU 1 3HT GLU 1 11.539 3.736 -18.053
4 HA GLU 1 HA GLU 1 11.268 4.063 -20.992
5 HB2 GLU 1 2HB GLU 1 12.453 6.241 -20.553
6 HB3 GLU 1 1HB GLU 1 10.805 6.159 -19.952
7 HG2 GLU 1 2HG GLU 1 13.156 5.609 -18.174
8 HG3 GLU 1 1HG GLU 1 12.593 7.247 -18.481
9 H PHE 2 H PHE 2 12.712 2.807 -21.905
10 HA PHE 2 HA PHE 2 15.355 2.570 -20.693
11 HB2 PHE 2 2HB PHE 2 14.182 0.491 -21.389
12 HB3 PHE 2 1HB PHE 2 14.213 1.063 -23.053
13 HD1 PHE 2 2HD PHE 2 16.467 0.276 -20.202
14 HD2 PHE 2 1HD PHE 2 16.004 0.525 -24.426
15 HE1 PHE 2 2HE PHE 2 18.683 -0.742 -20.499
16 HE2 PHE 2 1HE PHE 2 18.223 -0.494 -24.730
17 HZ PHE 2 HZ PHE 2 19.569 -1.121 -22.785
18 H CYS 3 H CYS 3 13.726 3.758 -23.582
19 HA CYS 3 HA CYS 3 16.289 4.906 -24.447
20 HB2 CYS 3 2HB CYS 3 14.150 4.539 -26.468
21 HB3 CYS 3 1HB CYS 3 15.896 4.393 -26.641
22 H LEU 4 H LEU 4 13.986 5.938 -22.750
23 HA LEU 4 HA LEU 4 12.795 7.840 -22.415
24 HB2 LEU 4 2HB LEU 4 14.688 8.841 -24.532
25 HB3 LEU 4 1HB LEU 4 13.508 9.878 -23.755
26 HG LEU 4 HG LEU 4 15.703 8.391 -22.314
27 HD11 LEU 4 1HD1 LEU 4 16.632 10.117 -23.748
28 HD12 LEU 4 2HD1 LEU 4 16.741 10.591 -22.051
29 HD13 LEU 4 3HD1 LEU 4 15.499 11.294 -23.086
30 HD21 LEU 4 3HD2 LEU 4 15.083 9.878 -20.438
31 HD22 LEU 4 1HD2 LEU 4 13.787 8.771 -20.894
32 HD23 LEU 4 2HD2 LEU 4 13.719 10.461 -21.390
33 H ASN 5 H ASN 5 12.521 6.149 -25.256
34 HA ASN 5 HA ASN 5 10.040 7.526 -25.912
35 HB2 ASN 5 2HB ASN 5 11.735 8.559 -27.361
36 HB3 ASN 5 1HB ASN 5 12.185 6.963 -27.973
37 HD21 ASN 5 1HD2 ASN 5 10.575 5.760 -29.155
38 HD22 ASN 5 2HD2 ASN 5 9.321 6.598 -30.002
39 H CYS 6 H CYS 6 12.192 4.890 -26.998
40 HA CYS 6 HA CYS 6 10.454 3.234 -28.288
41 HB2 CYS 6 2HB CYS 6 11.940 1.405 -27.784
42 HB3 CYS 6 1HB CYS 6 12.923 2.857 -27.949
43 H VAL 7 H VAL 7 10.728 3.731 -24.874
44 HA VAL 7 HA VAL 7 8.660 1.739 -24.352
45 HB VAL 7 HB VAL 7 10.678 3.101 -22.570
46 HG11 VAL 7 1HG1 VAL 7 8.396 1.291 -21.733
47 HG12 VAL 7 2HG1 VAL 7 8.550 3.006 -21.362
48 HG13 VAL 7 3HG1 VAL 7 9.698 1.854 -20.684
49 HG21 VAL 7 3HG2 VAL 7 11.361 0.774 -22.104
50 HG22 VAL 7 1HG2 VAL 7 11.518 1.205 -23.809
51 HG23 VAL 7 2HG2 VAL 7 10.162 0.209 -23.270
52 H SER 8 H SER 8 9.555 5.096 -23.726
53 HA SER 8 HA SER 8 7.342 5.742 -22.130
54 HB2 SER 8 2HB SER 8 9.017 7.661 -23.736
55 HB3 SER 8 1HB SER 8 8.143 7.989 -22.236
56 HG SER 8 HG SER 8 9.533 6.310 -21.295
57 H HIS 9 H HIS 9 7.952 6.315 -25.592
58 HA HIS 9 HA HIS 9 5.282 7.524 -25.751
59 HB2 HIS 9 2HB HIS 9 7.602 7.699 -27.673
60 HB3 HIS 9 1HB HIS 9 6.035 8.462 -27.916
61 HD1 HIS 9 1HD HIS 9 8.995 9.768 -27.514
62 HD2 HIS 9 2HD HIS 9 5.780 9.799 -24.870
63 HE1 HIS 9 1HE HIS 9 9.401 11.721 -25.981
64 HE2 HIS 9 2HE HIS 9 7.375 11.807 -24.475
65 H THR 10 H THR 10 7.177 4.833 -26.859
66 HA THR 10 HA THR 10 5.448 4.251 -29.078
67 HB THR 10 HB THR 10 7.474 2.419 -27.776
68 HG1 THR 10 1HG THR 10 7.753 4.652 -29.418
69 HG21 THR 10 3HG2 THR 10 5.886 1.302 -29.281
70 HG22 THR 10 1HG2 THR 10 7.510 1.324 -29.967
71 HG23 THR 10 2HG2 THR 10 6.288 2.450 -30.558
72 H ALA 11 H ALA 11 5.904 3.167 -25.788
73 HA ALA 11 HA ALA 11 4.578 2.122 -24.281
74 HB1 ALA 11 3HB ALA 11 2.355 2.570 -26.260
75 HB2 ALA 11 1HB ALA 11 2.875 3.709 -25.016
76 HB3 ALA 11 2HB ALA 11 2.173 2.159 -24.554
77 H SER 12 H SER 12 3.504 1.004 -27.483
78 HA SER 12 HA SER 12 2.566 -1.500 -26.776
79 HB2 SER 12 2HB SER 12 2.389 -0.272 -29.017
80 HB3 SER 12 1HB SER 12 3.984 -0.918 -29.378
81 HG SER 12 HG SER 12 2.970 -2.631 -30.017
82 H TYR 13 H TYR 13 5.807 -0.510 -27.707
83 HA TYR 13 HA TYR 13 6.962 -3.030 -28.046
84 HB2 TYR 13 2HB TYR 13 7.934 -0.949 -28.902
85 HB3 TYR 13 1HB TYR 13 8.238 -0.407 -27.259
86 HD1 TYR 13 2HD TYR 13 9.200 -2.914 -29.808
87 HD2 TYR 13 1HD TYR 13 10.240 -1.074 -26.116
88 HE1 TYR 13 2HE TYR 13 11.419 -3.965 -29.924
89 HE2 TYR 13 1HE TYR 13 12.468 -2.120 -26.222
90 HH TYR 13 HH TYR 13 13.699 -3.542 -29.028
91 H LEU 14 H LEU 14 6.112 -1.403 -25.154
92 HA LEU 14 HA LEU 14 8.030 -2.875 -23.533
93 HB2 LEU 14 2HB LEU 14 7.620 -0.545 -22.980
94 HB3 LEU 14 1HB LEU 14 5.907 -0.857 -22.786
95 HG LEU 14 HG LEU 14 6.477 -2.368 -20.861
96 HD11 LEU 14 1HD1 LEU 14 8.797 -2.826 -21.494
97 HD12 LEU 14 2HD1 LEU 14 8.684 -2.175 -19.857
98 HD13 LEU 14 3HD1 LEU 14 9.208 -1.138 -21.185
99 HD21 LEU 14 3HD2 LEU 14 6.911 -0.538 -19.295
100 HD22 LEU 14 1HD2 LEU 14 5.697 -0.092 -20.497
101 HD23 LEU 14 2HD2 LEU 14 7.350 0.507 -20.646
102 H ARG 15 H ARG 15 4.784 -3.163 -24.612
103 HA ARG 15 HA ARG 15 4.099 -4.954 -22.373
104 HB2 ARG 15 2HB ARG 15 2.712 -2.910 -22.633
105 HB3 ARG 15 1HB ARG 15 2.237 -3.469 -24.231
106 HG2 ARG 15 2HG ARG 15 1.236 -5.475 -23.205
107 HG3 ARG 15 1HG ARG 15 1.650 -4.830 -21.614
108 HD2 ARG 15 2HD ARG 15 -0.154 -3.499 -23.636
109 HD3 ARG 15 1HD ARG 15 -0.690 -4.404 -22.219
110 HE ARG 15 HE ARG 15 0.605 -2.642 -20.914
111 HH11 ARG 15 1HH1 ARG 15 -0.858 -1.976 -24.050
112 HH12 ARG 15 2HH1 ARG 15 -1.113 -0.283 -23.699
113 HH21 ARG 15 1HH2 ARG 15 0.184 -0.448 -20.434
114 HH22 ARG 15 2HH2 ARG 15 -0.592 0.563 -21.631
115 H LEU 16 H LEU 16 3.765 -4.580 -25.897
116 HA LEU 16 HA LEU 16 2.415 -7.075 -26.248
117 HB2 LEU 16 2HB LEU 16 2.290 -5.017 -27.721
118 HB3 LEU 16 1HB LEU 16 3.864 -5.465 -28.339
119 HG LEU 16 HG LEU 16 2.978 -7.534 -29.251
120 HD11 LEU 16 1HD1 LEU 16 0.573 -8.007 -29.150
121 HD12 LEU 16 2HD1 LEU 16 0.344 -6.616 -28.089
122 HD13 LEU 16 3HD1 LEU 16 1.304 -7.993 -27.548
123 HD21 LEU 16 3HD2 LEU 16 2.871 -5.529 -30.630
124 HD22 LEU 16 1HD2 LEU 16 1.288 -5.129 -29.962
125 HD23 LEU 16 2HD2 LEU 16 1.490 -6.576 -30.949
126 H TRP 17 H TRP 17 5.641 -6.196 -25.826
127 HA TRP 17 HA TRP 17 6.947 -8.314 -27.183
128 HB2 TRP 17 2HB TRP 17 7.985 -6.157 -26.396
129 HB3 TRP 17 1HB TRP 17 7.887 -6.768 -24.752
130 HD1 TRP 17 HD TRP 17 9.643 -8.643 -24.034
131 HE1 TRP 17 1HE TRP 17 11.886 -9.394 -25.054
132 HE3 TRP 17 3HE TRP 17 9.181 -6.497 -28.653
133 HZ2 TRP 17 2HZ TRP 17 13.268 -9.114 -27.496
134 HZ3 TRP 17 3HZ TRP 17 11.008 -6.790 -30.273
135 HH2 TRP 17 HH TRP 17 13.009 -8.068 -29.705
136 H ALA 18 H ALA 18 4.811 -8.422 -24.665
137 HA ALA 18 HA ALA 18 6.165 -10.691 -23.358
138 HB1 ALA 18 3HB ALA 18 5.642 -8.855 -21.858
139 HB2 ALA 18 1HB ALA 18 4.699 -10.286 -21.447
140 HB3 ALA 18 2HB ALA 18 3.940 -8.947 -22.309
141 H LEU 19 H LEU 19 3.993 -10.198 -25.735
142 HA LEU 19 HA LEU 19 2.827 -12.813 -25.316
143 HB2 LEU 19 2HB LEU 19 0.528 -12.106 -25.726
144 HB3 LEU 19 1HB LEU 19 1.162 -11.408 -24.250
145 HG LEU 19 HG LEU 19 1.224 -9.801 -26.774
146 HD11 LEU 19 1HD1 LEU 19 -1.055 -10.609 -26.673
147 HD12 LEU 19 2HD1 LEU 19 -1.008 -8.911 -26.193
148 HD13 LEU 19 3HD1 LEU 19 -1.162 -10.173 -24.969
149 HD21 LEU 19 3HD2 LEU 19 2.367 -8.956 -24.790
150 HD22 LEU 19 1HD2 LEU 19 0.875 -9.109 -23.860
151 HD23 LEU 19 2HD2 LEU 19 0.973 -7.953 -25.189
152 H SER 20 H SER 20 4.751 -11.698 -27.144
153 HA SER 20 HA SER 20 3.288 -11.488 -29.661
154 HB2 SER 20 2HB SER 20 5.138 -9.906 -29.297
155 HB3 SER 20 1HB SER 20 6.260 -11.252 -29.105
156 HG SER 20 HG SER 20 6.020 -10.143 -31.280
157 H LEU 21 H LEU 21 3.022 -13.160 -31.002
158 HA LEU 21 HA LEU 21 4.232 -15.702 -30.241
159 HB2 LEU 21 2HB LEU 21 2.038 -15.024 -32.203
160 HB3 LEU 21 1HB LEU 21 2.667 -16.641 -31.969
161 HG LEU 21 HG LEU 21 1.339 -15.013 -29.805
162 HD11 LEU 21 1HD1 LEU 21 0.225 -17.320 -31.399
163 HD12 LEU 21 2HD1 LEU 21 -0.189 -15.627 -31.656
164 HD13 LEU 21 3HD1 LEU 21 -0.598 -16.411 -30.131
165 HD21 LEU 21 3HD2 LEU 21 2.174 -17.912 -29.919
166 HD22 LEU 21 1HD2 LEU 21 1.272 -17.155 -28.605
167 HD23 LEU 21 2HD2 LEU 21 2.925 -16.646 -28.948
168 H ALA 22 H ALA 22 3.946 -13.545 -33.023
169 HA ALA 22 HA ALA 22 6.421 -14.670 -34.086
170 HB1 ALA 22 3HB ALA 22 3.904 -14.567 -35.750
171 HB2 ALA 22 1HB ALA 22 4.657 -16.028 -35.106
172 HB3 ALA 22 2HB ALA 22 5.506 -15.055 -36.307
173 H HIS 23 H HIS 23 3.939 -12.192 -34.174
174 HA HIS 23 HA HIS 23 5.860 -10.221 -34.938
175 HB2 HIS 23 2HB HIS 23 4.718 -9.433 -36.957
176 HB3 HIS 23 1HB HIS 23 5.328 -11.067 -37.164
177 HD1 HIS 23 1HD HIS 23 2.381 -9.067 -37.704
178 HD2 HIS 23 2HD HIS 23 3.115 -13.058 -36.766
179 HE1 HIS 23 1HE HIS 23 0.261 -10.302 -38.262
180 HE2 HIS 23 2HE HIS 23 0.660 -12.668 -37.496
181 H ALA 24 H ALA 24 5.450 -8.659 -33.588
182 HA ALA 24 HA ALA 24 3.055 -8.062 -32.314
183 HB1 ALA 24 3HB ALA 24 4.037 -5.865 -31.868
184 HB2 ALA 24 1HB ALA 24 5.262 -6.158 -33.099
185 HB3 ALA 24 2HB ALA 24 5.228 -7.145 -31.637
186 H GLN 25 H GLN 25 4.372 -6.841 -35.350
187 HA GLN 25 HA GLN 25 1.757 -5.669 -35.996
188 HB2 GLN 25 2HB GLN 25 3.568 -4.037 -36.022
189 HB3 GLN 25 1HB GLN 25 4.512 -5.074 -37.082
190 HG2 GLN 25 2HG GLN 25 2.950 -4.747 -38.877
191 HG3 GLN 25 1HG GLN 25 1.872 -3.832 -37.823
192 HE21 GLN 25 1HE2 GLN 25 1.970 -2.042 -39.204
193 HE22 GLN 25 2HE2 GLN 25 3.377 -1.016 -39.257
Start of MODEL 2
1 H1 GLU 1 1HT GLU 1 7.944 6.181 -18.566
2 H2 GLU 1 2HT GLU 1 9.299 5.941 -17.580
3 H3 GLU 1 3HT GLU 1 8.571 4.617 -18.340
4 HA GLU 1 HA GLU 1 9.215 5.417 -20.492
5 HB2 GLU 1 2HB GLU 1 10.538 7.686 -18.981
6 HB3 GLU 1 1HB GLU 1 10.654 7.404 -20.708
7 HG2 GLU 1 2HG GLU 1 9.097 9.150 -20.398
8 HG3 GLU 1 1HG GLU 1 8.173 7.717 -20.833
9 H PHE 2 H PHE 2 10.247 3.475 -20.369
10 HA PHE 2 HA PHE 2 12.497 2.968 -18.714
11 HB2 PHE 2 2HB PHE 2 10.922 1.226 -19.589
12 HB3 PHE 2 1HB PHE 2 11.637 1.455 -21.181
13 HD1 PHE 2 2HD PHE 2 12.741 0.816 -17.681
14 HD2 PHE 2 1HD PHE 2 13.267 -0.022 -21.820
15 HE1 PHE 2 2HE PHE 2 14.499 -0.807 -17.120
16 HE2 PHE 2 1HE PHE 2 15.027 -1.648 -21.270
17 HZ PHE 2 HZ PHE 2 15.644 -2.042 -18.918
18 H CYS 3 H CYS 3 12.261 3.345 -22.270
19 HA CYS 3 HA CYS 3 15.129 3.919 -22.256
20 HB2 CYS 3 2HB CYS 3 13.716 3.520 -24.829
21 HB3 CYS 3 1HB CYS 3 15.318 2.983 -24.339
22 H LEU 4 H LEU 4 12.684 5.736 -21.790
23 HA LEU 4 HA LEU 4 12.014 7.855 -22.247
24 HB2 LEU 4 2HB LEU 4 14.777 7.979 -23.431
25 HB3 LEU 4 1HB LEU 4 13.721 9.370 -23.372
26 HG LEU 4 HG LEU 4 15.228 9.565 -21.557
27 HD11 LEU 4 1HD1 LEU 4 13.754 9.597 -19.640
28 HD12 LEU 4 2HD1 LEU 4 12.615 8.541 -20.472
29 HD13 LEU 4 3HD1 LEU 4 12.912 10.171 -21.078
30 HD21 LEU 4 3HD2 LEU 4 14.436 6.769 -20.754
31 HD22 LEU 4 1HD2 LEU 4 15.497 7.844 -19.842
32 HD23 LEU 4 2HD2 LEU 4 15.989 7.260 -21.431
33 H ASN 5 H ASN 5 12.058 5.595 -24.452
34 HA ASN 5 HA ASN 5 10.668 7.202 -26.424
35 HB2 ASN 5 2HB ASN 5 12.948 7.291 -27.293
36 HB3 ASN 5 1HB ASN 5 13.088 5.539 -27.158
37 HD21 ASN 5 1HD2 ASN 5 11.853 4.217 -28.566
38 HD22 ASN 5 2HD2 ASN 5 11.241 4.844 -30.073
39 H CYS 6 H CYS 6 11.979 3.987 -25.750
40 HA CYS 6 HA CYS 6 10.227 2.511 -27.318
41 HB2 CYS 6 2HB CYS 6 10.827 0.600 -25.915
42 HB3 CYS 6 1HB CYS 6 12.255 1.581 -26.237
43 H VAL 7 H VAL 7 9.782 4.070 -24.300
44 HA VAL 7 HA VAL 7 7.167 2.842 -23.981
45 HB VAL 7 HB VAL 7 8.942 4.333 -22.045
46 HG11 VAL 7 1HG1 VAL 7 7.186 4.075 -20.354
47 HG12 VAL 7 2HG1 VAL 7 6.096 3.406 -21.569
48 HG13 VAL 7 3HG1 VAL 7 6.629 5.084 -21.689
49 HG21 VAL 7 3HG2 VAL 7 7.769 1.552 -22.023
50 HG22 VAL 7 1HG2 VAL 7 8.819 2.241 -20.784
51 HG23 VAL 7 2HG2 VAL 7 9.436 1.975 -22.417
52 H SER 8 H SER 8 8.756 6.009 -23.897
53 HA SER 8 HA SER 8 6.414 7.516 -23.542
54 HB2 SER 8 2HB SER 8 8.775 8.714 -24.889
55 HB3 SER 8 1HB SER 8 7.851 9.293 -23.500
56 HG SER 8 HG SER 8 9.782 8.608 -22.690
57 H HIS 9 H HIS 9 8.041 6.337 -26.395
58 HA HIS 9 HA HIS 9 6.318 7.994 -28.115
59 HB2 HIS 9 2HB HIS 9 8.750 8.394 -28.311
60 HB3 HIS 9 1HB HIS 9 8.994 6.699 -28.704
61 HD1 HIS 9 1HD HIS 9 7.372 9.818 -30.141
62 HD2 HIS 9 2HD HIS 9 8.841 6.118 -31.358
63 HE1 HIS 9 1HE HIS 9 7.257 9.827 -32.659
64 HE2 HIS 9 2HE HIS 9 8.052 7.536 -33.368
65 H THR 10 H THR 10 6.353 4.986 -26.872
66 HA THR 10 HA THR 10 4.921 3.904 -29.157
67 HB THR 10 HB THR 10 7.231 2.393 -27.922
68 HG1 THR 10 1HG THR 10 7.014 4.108 -30.094
69 HG21 THR 10 3HG2 THR 10 5.408 0.942 -28.705
70 HG22 THR 10 1HG2 THR 10 6.836 0.785 -29.728
71 HG23 THR 10 2HG2 THR 10 5.454 1.733 -30.283
72 H ALA 11 H ALA 11 6.291 2.784 -26.073
73 HA ALA 11 HA ALA 11 5.392 1.800 -24.246
74 HB1 ALA 11 3HB ALA 11 2.738 2.787 -25.259
75 HB2 ALA 11 1HB ALA 11 3.822 3.667 -24.183
76 HB3 ALA 11 2HB ALA 11 3.059 2.173 -23.636
77 H SER 12 H SER 12 3.402 1.165 -27.053
78 HA SER 12 HA SER 12 2.569 -1.391 -26.615
79 HB2 SER 12 2HB SER 12 3.724 -0.146 -29.092
80 HB3 SER 12 1HB SER 12 2.823 -1.641 -29.048
81 HG SER 12 HG SER 12 1.749 0.609 -29.422
82 H TYR 13 H TYR 13 5.778 -0.307 -27.471
83 HA TYR 13 HA TYR 13 6.942 -2.708 -28.246
84 HB2 TYR 13 2HB TYR 13 7.898 -0.399 -28.474
85 HB3 TYR 13 1HB TYR 13 8.308 -0.459 -26.766
86 HD1 TYR 13 2HD TYR 13 8.913 -2.222 -29.999
87 HD2 TYR 13 1HD TYR 13 10.352 -1.359 -26.088
88 HE1 TYR 13 2HE TYR 13 11.053 -3.304 -30.554
89 HE2 TYR 13 1HE TYR 13 12.497 -2.440 -26.631
90 HH TYR 13 HH TYR 13 13.320 -3.369 -29.866
91 H LEU 14 H LEU 14 6.327 -1.430 -25.041
92 HA LEU 14 HA LEU 14 7.675 -3.744 -23.841
93 HB2 LEU 14 2HB LEU 14 6.809 -1.088 -22.739
94 HB3 LEU 14 1HB LEU 14 7.136 -2.440 -21.674
95 HG LEU 14 HG LEU 14 9.077 -1.028 -21.765
96 HD11 LEU 14 1HD1 LEU 14 9.478 -3.414 -21.607
97 HD12 LEU 14 2HD1 LEU 14 10.755 -2.629 -22.533
98 HD13 LEU 14 3HD1 LEU 14 9.500 -3.548 -23.365
99 HD21 LEU 14 3HD2 LEU 14 10.294 -0.639 -23.859
100 HD22 LEU 14 1HD2 LEU 14 8.688 0.085 -23.879
101 HD23 LEU 14 2HD2 LEU 14 8.989 -1.416 -24.755
102 H ARG 15 H ARG 15 4.630 -2.694 -24.755
103 HA ARG 15 HA ARG 15 3.155 -4.085 -22.700
104 HB2 ARG 15 2HB ARG 15 2.215 -2.092 -23.802
105 HB3 ARG 15 1HB ARG 15 2.242 -2.933 -25.344
106 HG2 ARG 15 2HG ARG 15 0.604 -4.512 -24.569
107 HG3 ARG 15 1HG ARG 15 0.642 -3.805 -22.952
108 HD2 ARG 15 2HD ARG 15 -0.236 -2.398 -25.476
109 HD3 ARG 15 1HD ARG 15 -1.306 -3.044 -24.230
110 HE ARG 15 HE ARG 15 0.315 -1.368 -22.856
111 HH11 ARG 15 1HH1 ARG 15 -1.661 -0.961 -25.728
112 HH12 ARG 15 2HH1 ARG 15 -1.974 0.719 -25.401
113 HH21 ARG 15 1HH2 ARG 15 -0.075 0.822 -22.454
114 HH22 ARG 15 2HH2 ARG 15 -1.089 1.735 -23.550
115 H LEU 16 H LEU 16 4.278 -4.646 -25.966
116 HA LEU 16 HA LEU 16 3.010 -7.260 -26.070
117 HB2 LEU 16 2HB LEU 16 3.124 -5.772 -28.067
118 HB3 LEU 16 1HB LEU 16 4.868 -5.924 -28.042
119 HG LEU 16 HG LEU 16 4.616 -8.373 -28.442
120 HD11 LEU 16 1HD1 LEU 16 1.717 -7.645 -28.767
121 HD12 LEU 16 2HD1 LEU 16 2.402 -8.708 -27.538
122 HD13 LEU 16 3HD1 LEU 16 2.438 -9.182 -29.237
123 HD21 LEU 16 3HD2 LEU 16 3.306 -6.562 -30.465
124 HD22 LEU 16 1HD2 LEU 16 3.992 -8.153 -30.791
125 HD23 LEU 16 2HD2 LEU 16 5.041 -6.830 -30.279
126 H TRP 17 H TRP 17 5.995 -5.835 -25.173
127 HA TRP 17 HA TRP 17 7.728 -8.034 -25.583
128 HB2 TRP 17 2HB TRP 17 8.409 -5.629 -25.173
129 HB3 TRP 17 1HB TRP 17 8.004 -5.879 -23.479
130 HD1 TRP 17 HD TRP 17 9.659 -7.429 -22.040
131 HE1 TRP 17 1HE TRP 17 12.088 -8.195 -22.436
132 HE3 TRP 17 3HE TRP 17 10.061 -6.287 -27.010
133 HZ2 TRP 17 2HZ TRP 17 13.925 -8.280 -24.577
134 HZ3 TRP 17 3HZ TRP 17 12.195 -6.735 -28.156
135 HH2 TRP 17 HH TRP 17 14.086 -7.713 -26.958
136 H ALA 18 H ALA 18 6.870 -9.904 -24.819
137 HA ALA 18 HA ALA 18 7.294 -10.608 -22.135
138 HB1 ALA 18 3HB ALA 18 4.993 -11.055 -21.401
139 HB2 ALA 18 1HB ALA 18 4.384 -10.293 -22.871
140 HB3 ALA 18 2HB ALA 18 5.256 -9.334 -21.679
141 H LEU 19 H LEU 19 5.008 -11.345 -24.746
142 HA LEU 19 HA LEU 19 6.079 -14.086 -24.837
143 HB2 LEU 19 2HB LEU 19 3.161 -13.303 -24.947
144 HB3 LEU 19 1HB LEU 19 3.776 -14.920 -25.221
145 HG LEU 19 HG LEU 19 4.037 -13.415 -22.610
146 HD11 LEU 19 1HD1 LEU 19 2.129 -15.590 -23.442
147 HD12 LEU 19 2HD1 LEU 19 1.712 -13.924 -23.040
148 HD13 LEU 19 3HD1 LEU 19 2.338 -15.005 -21.793
149 HD21 LEU 19 3HD2 LEU 19 4.542 -16.312 -23.274
150 HD22 LEU 19 1HD2 LEU 19 4.741 -15.543 -21.701
151 HD23 LEU 19 2HD2 LEU 19 5.799 -15.096 -23.041
152 H SER 20 H SER 20 6.569 -11.680 -26.411
153 HA SER 20 HA SER 20 5.153 -12.105 -28.910
154 HB2 SER 20 2HB SER 20 5.527 -9.807 -28.115
155 HB3 SER 20 1HB SER 20 7.271 -10.068 -28.151
156 HG SER 20 HG SER 20 6.990 -9.225 -30.102
157 H LEU 21 H LEU 21 5.981 -13.076 -30.673
158 HA LEU 21 HA LEU 21 8.545 -14.373 -30.457
159 HB2 LEU 21 2HB LEU 21 6.618 -15.466 -31.572
160 HB3 LEU 21 1HB LEU 21 6.650 -14.228 -32.812
161 HG LEU 21 HG LEU 21 8.912 -15.003 -33.477
162 HD11 LEU 21 1HD1 LEU 21 9.620 -15.923 -31.339
163 HD12 LEU 21 2HD1 LEU 21 9.753 -17.127 -32.622
164 HD13 LEU 21 3HD1 LEU 21 8.411 -17.199 -31.480
165 HD21 LEU 21 3HD2 LEU 21 6.932 -15.844 -34.630
166 HD22 LEU 21 1HD2 LEU 21 6.803 -17.158 -33.462
167 HD23 LEU 21 2HD2 LEU 21 8.193 -17.075 -34.546
168 H ALA 22 H ALA 22 9.940 -12.627 -30.260
169 HA ALA 22 HA ALA 22 9.991 -10.647 -32.407
170 HB1 ALA 22 3HB ALA 22 11.502 -9.386 -30.974
171 HB2 ALA 22 1HB ALA 22 11.547 -10.725 -29.825
172 HB3 ALA 22 2HB ALA 22 10.045 -9.843 -30.090
173 H HIS 23 H HIS 23 11.332 -13.572 -31.754
174 HA HIS 23 HA HIS 23 13.439 -13.130 -33.661
175 HB2 HIS 23 2HB HIS 23 15.210 -14.086 -32.275
176 HB3 HIS 23 1HB HIS 23 14.580 -12.610 -31.557
177 HD1 HIS 23 1HD HIS 23 15.457 -16.009 -30.697
178 HD2 HIS 23 2HD HIS 23 12.644 -13.228 -29.379
179 HE1 HIS 23 1HE HIS 23 14.713 -16.798 -28.422
180 HE2 HIS 23 2HE HIS 23 12.862 -15.218 -27.743
181 H ALA 24 H ALA 24 13.357 -14.728 -35.064
182 HA ALA 24 HA ALA 24 12.108 -17.236 -34.449
183 HB1 ALA 24 3HB ALA 24 12.750 -17.862 -36.740
184 HB2 ALA 24 1HB ALA 24 13.698 -16.380 -36.870
185 HB3 ALA 24 2HB ALA 24 11.945 -16.293 -36.691
186 H GLN 25 H GLN 25 15.248 -15.880 -34.360
187 HA GLN 25 HA GLN 25 16.363 -18.451 -33.497
188 HB2 GLN 25 2HB GLN 25 17.338 -17.664 -35.615
189 HB3 GLN 25 1HB GLN 25 17.725 -16.126 -34.859
190 HG2 GLN 25 2HG GLN 25 19.297 -17.217 -33.375
191 HG3 GLN 25 1HG GLN 25 18.857 -18.791 -34.037
192 HE21 GLN 25 1HE2 GLN 25 20.941 -19.239 -34.715
193 HE22 GLN 25 2HE2 GLN 25 21.658 -18.440 -36.088
Start of MODEL 3
1 H1 GLU 1 1HT GLU 1 4.305 3.486 -17.170
2 H2 GLU 1 2HT GLU 1 4.953 4.273 -15.816
3 H3 GLU 1 3HT GLU 1 5.533 2.744 -16.261
4 HA GLU 1 HA GLU 1 6.323 3.702 -18.371
5 HB2 GLU 1 2HB GLU 1 4.832 5.630 -18.451
6 HB3 GLU 1 1HB GLU 1 5.542 6.271 -16.975
7 HG2 GLU 1 2HG GLU 1 6.358 7.425 -18.953
8 HG3 GLU 1 1HG GLU 1 7.658 6.587 -18.102
9 H PHE 2 H PHE 2 8.435 3.503 -18.286
10 HA PHE 2 HA PHE 2 9.883 4.389 -15.882
11 HB2 PHE 2 2HB PHE 2 9.687 1.909 -16.229
12 HB3 PHE 2 1HB PHE 2 10.589 2.094 -17.720
13 HD1 PHE 2 2HD PHE 2 10.804 2.452 -14.051
14 HD2 PHE 2 1HD PHE 2 12.935 2.233 -17.728
15 HE1 PHE 2 2HE PHE 2 12.915 2.232 -12.814
16 HE2 PHE 2 1HE PHE 2 15.048 2.014 -16.498
17 HZ PHE 2 HZ PHE 2 15.038 1.976 -14.030
18 H CYS 3 H CYS 3 9.554 4.622 -19.292
19 HA CYS 3 HA CYS 3 12.311 5.611 -19.586
20 HB2 CYS 3 2HB CYS 3 11.615 3.596 -20.923
21 HB3 CYS 3 1HB CYS 3 10.469 4.630 -21.768
22 H LEU 4 H LEU 4 9.385 6.811 -19.043
23 HA LEU 4 HA LEU 4 8.319 8.791 -19.338
24 HB2 LEU 4 2HB LEU 4 11.049 9.676 -20.267
25 HB3 LEU 4 1HB LEU 4 9.711 10.767 -19.951
26 HG LEU 4 HG LEU 4 11.064 8.989 -17.918
27 HD11 LEU 4 1HD1 LEU 4 11.869 11.071 -16.953
28 HD12 LEU 4 2HD1 LEU 4 11.068 11.990 -18.228
29 HD13 LEU 4 3HD1 LEU 4 12.409 10.915 -18.627
30 HD21 LEU 4 3HD2 LEU 4 8.831 10.991 -17.580
31 HD22 LEU 4 1HD2 LEU 4 9.641 10.114 -16.281
32 HD23 LEU 4 2HD2 LEU 4 8.676 9.237 -17.473
33 H ASN 5 H ASN 5 8.311 6.868 -21.529
34 HA ASN 5 HA ASN 5 6.970 8.113 -23.555
35 HB2 ASN 5 2HB ASN 5 8.965 9.434 -24.078
36 HB3 ASN 5 1HB ASN 5 9.932 7.965 -24.194
37 HD21 ASN 5 1HD2 ASN 5 9.509 6.511 -25.941
38 HD22 ASN 5 2HD2 ASN 5 8.775 7.076 -27.405
39 H CYS 6 H CYS 6 9.565 5.778 -23.016
40 HA CYS 6 HA CYS 6 9.002 4.281 -25.339
41 HB2 CYS 6 2HB CYS 6 10.508 3.340 -22.904
42 HB3 CYS 6 1HB CYS 6 10.676 2.754 -24.559
43 H VAL 7 H VAL 7 7.595 4.318 -22.266
44 HA VAL 7 HA VAL 7 6.409 1.691 -22.690
45 HB VAL 7 HB VAL 7 6.597 3.423 -20.228
46 HG11 VAL 7 1HG1 VAL 7 4.462 2.219 -20.224
47 HG12 VAL 7 2HG1 VAL 7 5.561 1.550 -19.017
48 HG13 VAL 7 3HG1 VAL 7 5.309 0.706 -20.543
49 HG21 VAL 7 3HG2 VAL 7 8.016 1.616 -19.388
50 HG22 VAL 7 1HG2 VAL 7 8.660 2.286 -20.888
51 HG23 VAL 7 2HG2 VAL 7 7.805 0.742 -20.908
52 H SER 8 H SER 8 5.530 5.056 -21.979
53 HA SER 8 HA SER 8 2.718 4.507 -22.175
54 HB2 SER 8 2HB SER 8 4.060 7.209 -22.117
55 HB3 SER 8 1HB SER 8 2.389 6.834 -21.687
56 HG SER 8 HG SER 8 4.762 6.093 -20.328
57 H HIS 9 H HIS 9 4.873 6.658 -24.024
58 HA HIS 9 HA HIS 9 2.948 7.157 -26.049
59 HB2 HIS 9 2HB HIS 9 5.939 7.605 -26.024
60 HB3 HIS 9 1HB HIS 9 4.865 8.164 -27.301
61 HD1 HIS 9 1HD HIS 9 6.604 10.057 -25.539
62 HD2 HIS 9 2HD HIS 9 2.588 9.213 -24.922
63 HE1 HIS 9 1HE HIS 9 5.694 12.017 -24.272
64 HE2 HIS 9 2HE HIS 9 3.208 11.625 -24.209
65 H THR 10 H THR 10 5.709 4.955 -25.819
66 HA THR 10 HA THR 10 5.407 4.061 -28.542
67 HB THR 10 HB THR 10 7.042 2.741 -26.377
68 HG1 THR 10 1HG THR 10 7.655 5.023 -27.980
69 HG21 THR 10 3HG2 THR 10 8.466 2.074 -28.269
70 HG22 THR 10 1HG2 THR 10 7.354 2.885 -29.373
71 HG23 THR 10 2HG2 THR 10 6.812 1.483 -28.451
72 H ALA 11 H ALA 11 5.000 2.738 -25.303
73 HA ALA 11 HA ALA 11 3.682 1.144 -24.383
74 HB1 ALA 11 3HB ALA 11 1.478 0.783 -25.308
75 HB2 ALA 11 1HB ALA 11 1.979 1.514 -26.833
76 HB3 ALA 11 2HB ALA 11 1.905 2.493 -25.369
77 H SER 12 H SER 12 3.526 0.381 -27.837
78 HA SER 12 HA SER 12 3.112 -2.322 -27.682
79 HB2 SER 12 2HB SER 12 3.238 -0.627 -29.676
80 HB3 SER 12 1HB SER 12 4.884 -1.212 -29.816
81 HG SER 12 HG SER 12 4.201 -3.154 -30.407
82 H TYR 13 H TYR 13 6.226 -0.633 -27.789
83 HA TYR 13 HA TYR 13 7.754 -2.940 -28.331
84 HB2 TYR 13 2HB TYR 13 8.334 -0.500 -28.751
85 HB3 TYR 13 1HB TYR 13 8.767 -0.404 -27.054
86 HD1 TYR 13 2HD TYR 13 9.653 -1.845 -30.317
87 HD2 TYR 13 1HD TYR 13 10.833 -1.400 -26.248
88 HE1 TYR 13 2HE TYR 13 11.898 -2.672 -30.882
89 HE2 TYR 13 1HE TYR 13 13.083 -2.223 -26.813
90 HH TYR 13 HH TYR 13 14.172 -2.538 -30.031
91 H LEU 14 H LEU 14 6.498 -1.643 -25.373
92 HA LEU 14 HA LEU 14 8.280 -3.400 -23.829
93 HB2 LEU 14 2HB LEU 14 7.001 -0.783 -23.171
94 HB3 LEU 14 1HB LEU 14 7.318 -1.915 -21.876
95 HG LEU 14 HG LEU 14 9.121 -0.333 -21.986
96 HD11 LEU 14 1HD1 LEU 14 9.697 -2.633 -21.413
97 HD12 LEU 14 2HD1 LEU 14 11.022 -1.829 -22.253
98 HD13 LEU 14 3HD1 LEU 14 10.002 -2.983 -23.111
99 HD21 LEU 14 3HD2 LEU 14 8.918 0.407 -24.276
100 HD22 LEU 14 1HD2 LEU 14 9.443 -1.176 -24.859
101 HD23 LEU 14 2HD2 LEU 14 10.564 -0.147 -23.965
102 H ARG 15 H ARG 15 4.903 -2.368 -24.169
103 HA ARG 15 HA ARG 15 4.094 -4.303 -22.141
104 HB2 ARG 15 2HB ARG 15 3.130 -2.038 -22.074
105 HB3 ARG 15 1HB ARG 15 2.471 -2.273 -23.686
106 HG2 ARG 15 2HG ARG 15 0.752 -2.532 -22.004
107 HG3 ARG 15 1HG ARG 15 1.036 -4.057 -22.844
108 HD2 ARG 15 2HD ARG 15 2.364 -4.866 -20.977
109 HD3 ARG 15 1HD ARG 15 2.185 -3.315 -20.156
110 HE ARG 15 HE ARG 15 -0.372 -4.048 -20.470
111 HH11 ARG 15 1HH1 ARG 15 2.387 -5.828 -19.226
112 HH12 ARG 15 2HH1 ARG 15 1.416 -6.855 -18.201
113 HH21 ARG 15 1HH2 ARG 15 -1.620 -5.325 -19.105
114 HH22 ARG 15 2HH2 ARG 15 -0.879 -6.566 -18.126
115 H LEU 16 H LEU 16 3.765 -3.761 -25.615
116 HA LEU 16 HA LEU 16 2.023 -6.104 -25.784
117 HB2 LEU 16 2HB LEU 16 2.786 -4.099 -27.901
118 HB3 LEU 16 1HB LEU 16 1.670 -5.431 -28.134
119 HG LEU 16 HG LEU 16 1.261 -3.112 -26.239
120 HD11 LEU 16 1HD1 LEU 16 -0.513 -2.457 -27.782
121 HD12 LEU 16 2HD1 LEU 16 -0.080 -3.790 -28.852
122 HD13 LEU 16 3HD1 LEU 16 1.057 -2.472 -28.583
123 HD21 LEU 16 3HD2 LEU 16 -0.971 -4.029 -25.921
124 HD22 LEU 16 1HD2 LEU 16 0.255 -5.188 -25.418
125 HD23 LEU 16 2HD2 LEU 16 -0.575 -5.396 -26.958
126 H TRP 17 H TRP 17 5.183 -5.677 -25.621
127 HA TRP 17 HA TRP 17 6.148 -7.247 -27.813
128 HB2 TRP 17 2HB TRP 17 7.511 -5.585 -26.458
129 HB3 TRP 17 1HB TRP 17 7.512 -6.762 -25.149
130 HD1 TRP 17 HD TRP 17 9.015 -8.980 -25.516
131 HE1 TRP 17 1HE TRP 17 11.007 -9.458 -27.082
132 HE3 TRP 17 3HE TRP 17 8.443 -5.055 -28.727
133 HZ2 TRP 17 2HZ TRP 17 12.179 -8.290 -29.390
134 HZ3 TRP 17 3HZ TRP 17 10.033 -4.798 -30.581
135 HH2 TRP 17 HH TRP 17 11.860 -6.379 -30.904
136 H ALA 18 H ALA 18 4.483 -7.907 -25.008
137 HA ALA 18 HA ALA 18 5.476 -10.651 -24.756
138 HB1 ALA 18 3HB ALA 18 5.392 -9.371 -22.672
139 HB2 ALA 18 1HB ALA 18 4.234 -10.703 -22.635
140 HB3 ALA 18 2HB ALA 18 3.676 -9.056 -22.930
141 H LEU 19 H LEU 19 4.031 -12.371 -24.896
142 HA LEU 19 HA LEU 19 2.343 -13.583 -25.793
143 HB2 LEU 19 2HB LEU 19 0.765 -11.017 -25.555
144 HB3 LEU 19 1HB LEU 19 0.084 -12.539 -26.093
145 HG LEU 19 HG LEU 19 1.296 -12.057 -23.370
146 HD11 LEU 19 1HD1 LEU 19 -1.015 -12.197 -22.567
147 HD12 LEU 19 2HD1 LEU 19 -1.587 -12.280 -24.235
148 HD13 LEU 19 3HD1 LEU 19 -0.780 -10.825 -23.646
149 HD21 LEU 19 3HD2 LEU 19 1.510 -14.367 -24.133
150 HD22 LEU 19 1HD2 LEU 19 -0.216 -14.418 -24.487
151 HD23 LEU 19 2HD2 LEU 19 0.338 -14.238 -22.821
152 H SER 20 H SER 20 3.938 -11.156 -27.278
153 HA SER 20 HA SER 20 2.669 -11.347 -29.838
154 HB2 SER 20 2HB SER 20 4.036 -9.359 -29.031
155 HB3 SER 20 1HB SER 20 5.461 -10.376 -29.251
156 HG SER 20 HG SER 20 3.677 -10.157 -31.393
157 H LEU 21 H LEU 21 2.693 -13.772 -29.613
158 HA LEU 21 HA LEU 21 5.088 -15.244 -29.545
159 HB2 LEU 21 2HB LEU 21 2.667 -15.987 -29.082
160 HB3 LEU 21 1HB LEU 21 2.537 -16.202 -30.810
161 HG LEU 21 HG LEU 21 2.989 -18.291 -29.503
162 HD11 LEU 21 1HD1 LEU 21 4.634 -19.199 -31.049
163 HD12 LEU 21 2HD1 LEU 21 5.078 -17.565 -31.548
164 HD13 LEU 21 3HD1 LEU 21 3.461 -18.182 -31.888
165 HD21 LEU 21 3HD2 LEU 21 5.282 -18.700 -28.745
166 HD22 LEU 21 1HD2 LEU 21 4.511 -17.393 -27.846
167 HD23 LEU 21 2HD2 LEU 21 5.696 -17.020 -29.103
168 H ALA 22 H ALA 22 3.040 -14.184 -32.247
169 HA ALA 22 HA ALA 22 5.397 -14.312 -33.944
170 HB1 ALA 22 3HB ALA 22 2.860 -15.784 -34.672
171 HB2 ALA 22 1HB ALA 22 4.393 -16.525 -34.211
172 HB3 ALA 22 2HB ALA 22 4.279 -15.591 -35.700
173 H HIS 23 H HIS 23 2.000 -13.396 -33.556
174 HA HIS 23 HA HIS 23 2.158 -11.711 -35.889
175 HB2 HIS 23 2HB HIS 23 -0.155 -11.164 -35.546
176 HB3 HIS 23 1HB HIS 23 0.058 -12.899 -35.382
177 HD1 HIS 23 1HD HIS 23 -2.287 -12.796 -34.196
178 HD2 HIS 23 2HD HIS 23 0.797 -10.928 -32.123
179 HE1 HIS 23 1HE HIS 23 -3.166 -12.408 -31.871
180 HE2 HIS 23 2HE HIS 23 -1.380 -11.043 -30.731
181 H ALA 24 H ALA 24 1.734 -9.459 -35.903
182 HA ALA 24 HA ALA 24 2.717 -8.095 -33.483
183 HB1 ALA 24 3HB ALA 24 2.735 -7.201 -36.371
184 HB2 ALA 24 1HB ALA 24 4.130 -7.757 -35.441
185 HB3 ALA 24 2HB ALA 24 3.323 -6.250 -35.005
186 H GLN 25 H GLN 25 0.052 -8.608 -35.523
187 HA GLN 25 HA GLN 25 -1.373 -6.217 -34.662
188 HB2 GLN 25 2HB GLN 25 -1.510 -6.956 -37.022
189 HB3 GLN 25 1HB GLN 25 -2.209 -8.478 -36.495
190 HG2 GLN 25 2HG GLN 25 -3.999 -7.154 -37.251
191 HG3 GLN 25 1HG GLN 25 -4.084 -7.130 -35.492
192 HE21 GLN 25 1HE2 GLN 25 -1.698 -5.296 -37.234
193 HE22 GLN 25 2HE2 GLN 25 -2.370 -3.732 -36.912
Start of MODEL 4
1 H1 GLU 1 1HT GLU 1 13.548 3.945 -18.325
2 H2 GLU 1 2HT GLU 1 12.175 4.939 -18.214
3 H3 GLU 1 3HT GLU 1 13.727 5.623 -18.192
4 HA GLU 1 HA GLU 1 12.547 4.161 -20.468
5 HB2 GLU 1 2HB GLU 1 12.200 6.856 -19.579
6 HB3 GLU 1 1HB GLU 1 13.108 6.859 -21.089
7 HG2 GLU 1 2HG GLU 1 10.526 5.395 -20.677
8 HG3 GLU 1 1HG GLU 1 10.659 7.005 -21.382
9 H PHE 2 H PHE 2 14.101 3.160 -21.451
10 HA PHE 2 HA PHE 2 16.838 3.982 -21.309
11 HB2 PHE 2 2HB PHE 2 16.093 1.603 -21.528
12 HB3 PHE 2 1HB PHE 2 15.566 1.960 -23.169
13 HD1 PHE 2 2HD PHE 2 18.481 1.601 -20.963
14 HD2 PHE 2 1HD PHE 2 17.131 2.148 -24.959
15 HE1 PHE 2 2HE PHE 2 20.743 1.097 -21.788
16 HE2 PHE 2 1HE PHE 2 19.394 1.649 -25.797
17 HZ PHE 2 HZ PHE 2 21.187 1.096 -24.223
18 H CYS 3 H CYS 3 14.197 4.336 -23.629
19 HA CYS 3 HA CYS 3 16.082 5.563 -25.490
20 HB2 CYS 3 2HB CYS 3 13.244 4.814 -26.093
21 HB3 CYS 3 1HB CYS 3 14.535 5.164 -27.241
22 H LEU 4 H LEU 4 13.728 6.367 -23.242
23 HA LEU 4 HA LEU 4 12.580 8.263 -22.705
24 HB2 LEU 4 2HB LEU 4 14.986 9.188 -23.772
25 HB3 LEU 4 1HB LEU 4 13.767 10.077 -24.660
26 HG LEU 4 HG LEU 4 14.586 11.321 -22.714
27 HD11 LEU 4 1HD1 LEU 4 11.701 10.473 -22.457
28 HD12 LEU 4 2HD1 LEU 4 12.325 11.764 -23.485
29 HD13 LEU 4 3HD1 LEU 4 12.427 11.906 -21.731
30 HD21 LEU 4 3HD2 LEU 4 14.095 10.608 -20.459
31 HD22 LEU 4 1HD2 LEU 4 15.097 9.406 -21.272
32 HD23 LEU 4 2HD2 LEU 4 13.370 9.117 -21.057
33 H ASN 5 H ASN 5 11.733 6.451 -24.760
34 HA ASN 5 HA ASN 5 9.581 7.783 -25.915
35 HB2 ASN 5 2HB ASN 5 11.293 8.830 -27.367
36 HB3 ASN 5 1HB ASN 5 11.790 7.224 -27.907
37 HD21 ASN 5 1HD2 ASN 5 10.189 5.914 -29.023
38 HD22 ASN 5 2HD2 ASN 5 8.959 6.697 -29.950
39 H CYS 6 H CYS 6 11.899 5.105 -26.458
40 HA CYS 6 HA CYS 6 10.077 3.698 -28.127
41 HB2 CYS 6 2HB CYS 6 11.679 1.968 -28.278
42 HB3 CYS 6 1HB CYS 6 12.615 3.451 -28.163
43 H VAL 7 H VAL 7 10.434 4.015 -24.813
44 HA VAL 7 HA VAL 7 9.078 1.496 -24.262
45 HB VAL 7 HB VAL 7 10.900 3.295 -22.686
46 HG11 VAL 7 1HG1 VAL 7 10.372 2.030 -20.627
47 HG12 VAL 7 2HG1 VAL 7 9.032 1.246 -21.463
48 HG13 VAL 7 3HG1 VAL 7 8.998 2.987 -21.187
49 HG21 VAL 7 3HG2 VAL 7 12.045 1.198 -22.189
50 HG22 VAL 7 1HG2 VAL 7 11.848 1.427 -23.927
51 HG23 VAL 7 2HG2 VAL 7 10.804 0.298 -23.061
52 H SER 8 H SER 8 9.052 4.915 -23.394
53 HA SER 8 HA SER 8 6.505 4.761 -22.105
54 HB2 SER 8 2HB SER 8 6.822 7.241 -21.878
55 HB3 SER 8 1HB SER 8 8.130 6.268 -21.206
56 HG SER 8 HG SER 8 9.389 6.740 -23.000
57 H HIS 9 H HIS 9 7.682 6.532 -24.971
58 HA HIS 9 HA HIS 9 5.076 7.558 -25.551
59 HB2 HIS 9 2HB HIS 9 7.607 7.632 -27.208
60 HB3 HIS 9 1HB HIS 9 6.127 8.503 -27.590
61 HD1 HIS 9 1HD HIS 9 8.794 9.975 -27.136
62 HD2 HIS 9 2HD HIS 9 5.902 9.365 -24.213
63 HE1 HIS 9 1HE HIS 9 9.168 11.780 -25.430
64 HE2 HIS 9 2HE HIS 9 7.429 11.380 -23.650
65 H THR 10 H THR 10 6.849 4.760 -26.536
66 HA THR 10 HA THR 10 5.099 4.301 -28.810
67 HB THR 10 HB THR 10 7.231 2.474 -27.685
68 HG1 THR 10 1HG THR 10 7.962 3.686 -29.980
69 HG21 THR 10 3HG2 THR 10 5.578 1.398 -29.171
70 HG22 THR 10 1HG2 THR 10 7.193 1.441 -29.893
71 HG23 THR 10 2HG2 THR 10 5.956 2.581 -30.421
72 H ALA 11 H ALA 11 5.964 2.795 -25.747
73 HA ALA 11 HA ALA 11 4.864 1.530 -24.250
74 HB1 ALA 11 3HB ALA 11 2.465 1.655 -24.035
75 HB2 ALA 11 1HB ALA 11 2.342 2.339 -25.656
76 HB3 ALA 11 2HB ALA 11 3.129 3.254 -24.369
77 H SER 12 H SER 12 3.549 0.983 -27.432
78 HA SER 12 HA SER 12 2.694 -1.597 -27.227
79 HB2 SER 12 2HB SER 12 4.188 -0.255 -29.473
80 HB3 SER 12 1HB SER 12 3.249 -1.719 -29.608
81 HG SER 12 HG SER 12 2.290 0.544 -30.067
82 H TYR 13 H TYR 13 5.994 -0.441 -27.712
83 HA TYR 13 HA TYR 13 7.181 -2.929 -28.257
84 HB2 TYR 13 2HB TYR 13 8.262 -0.842 -28.843
85 HB3 TYR 13 1HB TYR 13 8.345 -0.369 -27.152
86 HD1 TYR 13 2HD TYR 13 9.484 -3.104 -29.426
87 HD2 TYR 13 1HD TYR 13 10.331 -0.720 -25.994
88 HE1 TYR 13 2HE TYR 13 11.702 -4.149 -29.246
89 HE2 TYR 13 1HE TYR 13 12.552 -1.762 -25.817
90 HH TYR 13 HH TYR 13 13.721 -3.726 -26.484
91 H LEU 14 H LEU 14 6.344 -1.354 -25.256
92 HA LEU 14 HA LEU 14 7.986 -3.214 -23.721
93 HB2 LEU 14 2HB LEU 14 8.001 -0.816 -23.175
94 HB3 LEU 14 1HB LEU 14 6.286 -0.890 -22.822
95 HG LEU 14 HG LEU 14 6.779 -2.469 -20.962
96 HD11 LEU 14 1HD1 LEU 14 9.076 -2.717 -20.189
97 HD12 LEU 14 2HD1 LEU 14 9.654 -1.776 -21.564
98 HD13 LEU 14 3HD1 LEU 14 8.906 -3.353 -21.824
99 HD21 LEU 14 3HD2 LEU 14 6.482 -0.107 -20.523
100 HD22 LEU 14 1HD2 LEU 14 8.182 0.197 -20.884
101 HD23 LEU 14 2HD2 LEU 14 7.738 -0.763 -19.473
102 H ARG 15 H ARG 15 4.662 -2.659 -24.571
103 HA ARG 15 HA ARG 15 3.651 -4.268 -22.381
104 HB2 ARG 15 2HB ARG 15 2.401 -2.287 -23.106
105 HB3 ARG 15 1HB ARG 15 2.188 -3.003 -24.697
106 HG2 ARG 15 2HG ARG 15 0.873 -4.806 -23.730
107 HG3 ARG 15 1HG ARG 15 1.121 -4.128 -22.120
108 HD2 ARG 15 2HD ARG 15 -0.047 -2.094 -22.795
109 HD3 ARG 15 1HD ARG 15 -0.298 -2.767 -24.406
110 HE ARG 15 HE ARG 15 -1.325 -4.467 -22.353
111 HH11 ARG 15 1HH1 ARG 15 -2.032 -1.603 -24.250
112 HH12 ARG 15 2HH1 ARG 15 -3.758 -1.766 -24.068
113 HH21 ARG 15 1HH2 ARG 15 -3.565 -4.680 -22.109
114 HH22 ARG 15 2HH2 ARG 15 -4.633 -3.511 -22.849
115 H LEU 16 H LEU 16 3.724 -4.503 -25.935
116 HA LEU 16 HA LEU 16 2.704 -7.228 -25.750
117 HB2 LEU 16 2HB LEU 16 3.384 -5.513 -28.143
118 HB3 LEU 16 1HB LEU 16 2.736 -7.140 -28.244
119 HG LEU 16 HG LEU 16 1.335 -4.736 -27.064
120 HD11 LEU 16 1HD1 LEU 16 1.464 -4.686 -29.499
121 HD12 LEU 16 2HD1 LEU 16 -0.188 -4.978 -28.950
122 HD13 LEU 16 3HD1 LEU 16 0.787 -6.311 -29.573
123 HD21 LEU 16 3HD2 LEU 16 0.708 -6.725 -25.849
124 HD22 LEU 16 1HD2 LEU 16 0.410 -7.587 -27.359
125 HD23 LEU 16 2HD2 LEU 16 -0.617 -6.229 -26.902
126 H TRP 17 H TRP 17 5.330 -5.777 -27.635
127 HA TRP 17 HA TRP 17 7.349 -6.537 -28.301
128 HB2 TRP 17 2HB TRP 17 7.794 -6.075 -25.887
129 HB3 TRP 17 1HB TRP 17 7.494 -7.776 -25.547
130 HD1 TRP 17 HD TRP 17 9.942 -5.551 -27.552
131 HE1 TRP 17 1HE TRP 17 12.198 -6.779 -27.769
132 HE3 TRP 17 3HE TRP 17 8.661 -10.004 -25.358
133 HZ2 TRP 17 2HZ TRP 17 13.281 -9.290 -27.096
134 HZ3 TRP 17 3HZ TRP 17 10.377 -11.762 -25.189
135 HH2 TRP 17 HH TRP 17 12.635 -11.407 -26.041
136 H ALA 18 H ALA 18 6.564 -7.914 -29.906
137 HA ALA 18 HA ALA 18 7.145 -10.720 -29.360
138 HB1 ALA 18 3HB ALA 18 4.664 -9.799 -30.803
139 HB2 ALA 18 1HB ALA 18 4.714 -10.549 -29.205
140 HB3 ALA 18 2HB ALA 18 5.194 -11.469 -30.631
141 H LEU 19 H LEU 19 8.797 -11.159 -30.634
142 HA LEU 19 HA LEU 19 10.157 -11.325 -32.446
143 HB2 LEU 19 2HB LEU 19 7.698 -10.555 -34.017
144 HB3 LEU 19 1HB LEU 19 9.177 -11.212 -34.691
145 HG LEU 19 HG LEU 19 7.283 -12.656 -32.835
146 HD11 LEU 19 1HD1 LEU 19 7.908 -13.046 -35.760
147 HD12 LEU 19 2HD1 LEU 19 6.422 -12.361 -35.105
148 HD13 LEU 19 3HD1 LEU 19 6.832 -14.049 -34.789
149 HD21 LEU 19 3HD2 LEU 19 9.576 -13.347 -32.432
150 HD22 LEU 19 1HD2 LEU 19 9.835 -13.580 -34.160
151 HD23 LEU 19 2HD2 LEU 19 8.702 -14.617 -33.290
152 H SER 20 H SER 20 9.755 -8.795 -31.039
153 HA SER 20 HA SER 20 10.314 -6.834 -33.128
154 HB2 SER 20 2HB SER 20 8.548 -6.319 -31.439
155 HB3 SER 20 1HB SER 20 9.772 -6.397 -30.175
156 HG SER 20 HG SER 20 9.960 -4.348 -30.597
157 H LEU 21 H LEU 21 11.881 -5.052 -32.123
158 HA LEU 21 HA LEU 21 14.141 -6.201 -30.725
159 HB2 LEU 21 2HB LEU 21 14.560 -6.827 -33.065
160 HB3 LEU 21 1HB LEU 21 14.405 -5.149 -33.544
161 HG LEU 21 HG LEU 21 16.375 -4.608 -32.121
162 HD11 LEU 21 1HD1 LEU 21 16.235 -6.517 -30.600
163 HD12 LEU 21 2HD1 LEU 21 17.812 -6.422 -31.378
164 HD13 LEU 21 3HD1 LEU 21 16.630 -7.610 -31.928
165 HD21 LEU 21 3HD2 LEU 21 18.020 -5.534 -33.671
166 HD22 LEU 21 1HD2 LEU 21 16.600 -4.926 -34.522
167 HD23 LEU 21 2HD2 LEU 21 16.813 -6.661 -34.286
168 H ALA 22 H ALA 22 13.316 -3.422 -32.825
169 HA ALA 22 HA ALA 22 13.554 -1.693 -30.475
170 HB1 ALA 22 3HB ALA 22 15.729 -1.548 -31.582
171 HB2 ALA 22 1HB ALA 22 14.851 -0.023 -31.698
172 HB3 ALA 22 2HB ALA 22 14.935 -1.099 -33.092
173 H HIS 23 H HIS 23 12.617 -1.984 -33.868
174 HA HIS 23 HA HIS 23 10.194 -0.518 -33.241
175 HB2 HIS 23 2HB HIS 23 10.334 0.779 -35.340
176 HB3 HIS 23 1HB HIS 23 11.581 1.212 -34.183
177 HD1 HIS 23 1HD HIS 23 14.010 0.879 -34.870
178 HD2 HIS 23 2HD HIS 23 11.282 -0.574 -37.664
179 HE1 HIS 23 1HE HIS 23 15.360 0.333 -36.924
180 HE2 HIS 23 2HE HIS 23 13.720 -0.687 -38.543
181 H ALA 24 H ALA 24 8.480 -1.580 -33.944
182 HA ALA 24 HA ALA 24 8.848 -3.804 -35.775
183 HB1 ALA 24 3HB ALA 24 7.528 -4.072 -33.712
184 HB2 ALA 24 1HB ALA 24 6.602 -4.441 -35.167
185 HB3 ALA 24 2HB ALA 24 6.360 -2.905 -34.331
186 H GLN 25 H GLN 25 8.429 -0.622 -36.169
187 HA GLN 25 HA GLN 25 6.649 -0.864 -38.484
188 HB2 GLN 25 2HB GLN 25 6.015 0.753 -36.701
189 HB3 GLN 25 1HB GLN 25 7.534 1.593 -36.971
190 HG2 GLN 25 2HG GLN 25 6.833 2.041 -39.292
191 HG3 GLN 25 1HG GLN 25 5.280 1.281 -38.941
192 HE21 GLN 25 1HE2 GLN 25 5.787 3.984 -39.789
193 HE22 GLN 25 2HE2 GLN 25 5.210 5.033 -38.526
Start of MODEL 5
1 H1 GLU 1 1HT GLU 1 15.693 1.628 -22.915
2 H2 GLU 1 2HT GLU 1 15.065 3.097 -22.341
3 H3 GLU 1 3HT GLU 1 16.728 2.945 -22.649
4 HA GLU 1 HA GLU 1 14.624 2.736 -24.717
5 HB2 GLU 1 2HB GLU 1 14.708 5.003 -23.876
6 HB3 GLU 1 1HB GLU 1 16.462 5.019 -23.979
7 HG2 GLU 1 2HG GLU 1 15.446 6.282 -25.786
8 HG3 GLU 1 1HG GLU 1 16.341 4.894 -26.399
9 H PHE 2 H PHE 2 15.341 2.140 -26.675
10 HA PHE 2 HA PHE 2 18.143 1.300 -26.846
11 HB2 PHE 2 2HB PHE 2 16.360 -0.386 -27.294
12 HB3 PHE 2 1HB PHE 2 15.818 0.591 -28.656
13 HD1 PHE 2 1HD PHE 2 18.729 -1.323 -27.347
14 HD2 PHE 2 2HD PHE 2 16.801 0.370 -30.747
15 HE1 PHE 2 1HE PHE 2 20.311 -2.487 -28.826
16 HE2 PHE 2 2HE PHE 2 18.379 -0.794 -32.230
17 HZ PHE 2 HZ PHE 2 20.212 -2.194 -31.215
18 H CYS 3 H CYS 3 15.763 3.419 -28.265
19 HA CYS 3 HA CYS 3 17.799 4.376 -30.143
20 HB2 CYS 3 2HB CYS 3 14.856 4.852 -30.429
21 HB3 CYS 3 1HB CYS 3 16.103 5.050 -31.655
22 H LEU 4 H LEU 4 14.827 5.906 -29.233
23 HA LEU 4 HA LEU 4 15.642 7.745 -27.331
24 HB2 LEU 4 2HB LEU 4 17.149 8.501 -29.237
25 HB3 LEU 4 1HB LEU 4 15.699 8.927 -30.123
26 HG LEU 4 HG LEU 4 15.135 10.575 -28.344
27 HD11 LEU 4 1HD1 LEU 4 16.297 9.545 -26.478
28 HD12 LEU 4 2HD1 LEU 4 16.879 11.191 -26.730
29 HD13 LEU 4 3HD1 LEU 4 17.849 9.822 -27.270
30 HD21 LEU 4 3HD2 LEU 4 17.870 10.917 -29.577
31 HD22 LEU 4 1HD2 LEU 4 16.841 12.209 -28.958
32 HD23 LEU 4 2HD2 LEU 4 16.332 11.272 -30.362
33 H ASN 5 H ASN 5 13.467 6.064 -28.239
34 HA ASN 5 HA ASN 5 11.130 7.460 -28.057
35 HB2 ASN 5 2HB ASN 5 11.775 8.762 -30.014
36 HB3 ASN 5 1HB ASN 5 12.061 7.280 -30.933
37 HD21 ASN 5 1HD2 ASN 5 10.237 5.958 -31.485
38 HD22 ASN 5 2HD2 ASN 5 8.660 6.684 -31.624
39 H CYS 6 H CYS 6 12.781 5.009 -30.004
40 HA CYS 6 HA CYS 6 10.487 3.582 -30.771
41 HB2 CYS 6 2HB CYS 6 11.970 1.874 -31.568
42 HB3 CYS 6 1HB CYS 6 12.740 3.428 -31.878
43 H VAL 7 H VAL 7 12.241 3.619 -27.833
44 HA VAL 7 HA VAL 7 10.837 1.189 -26.996
45 HB VAL 7 HB VAL 7 13.469 2.362 -26.137
46 HG11 VAL 7 1HG1 VAL 7 13.554 0.752 -24.302
47 HG12 VAL 7 2HG1 VAL 7 11.933 0.178 -24.696
48 HG13 VAL 7 3HG1 VAL 7 12.165 1.819 -24.094
49 HG21 VAL 7 3HG2 VAL 7 14.249 0.082 -26.626
50 HG22 VAL 7 1HG2 VAL 7 13.443 0.806 -28.018
51 HG23 VAL 7 2HG2 VAL 7 12.602 -0.393 -27.039
52 H SER 8 H SER 8 11.846 4.394 -25.813
53 HA SER 8 HA SER 8 10.231 4.113 -23.465
54 HB2 SER 8 2HB SER 8 11.721 6.504 -24.539
55 HB3 SER 8 1HB SER 8 10.970 6.409 -22.944
56 HG SER 8 HG SER 8 12.389 4.351 -22.868
57 H HIS 9 H HIS 9 9.693 5.445 -26.622
58 HA HIS 9 HA HIS 9 7.338 6.906 -25.595
59 HB2 HIS 9 2HB HIS 9 8.996 7.338 -28.083
60 HB3 HIS 9 1HB HIS 9 7.439 8.121 -27.825
61 HD1 HIS 9 1HD HIS 9 7.439 10.234 -26.534
62 HD2 HIS 9 2HD HIS 9 11.003 8.128 -26.111
63 HE1 HIS 9 1HE HIS 9 8.984 11.759 -25.256
64 HE2 HIS 9 2HE HIS 9 11.122 10.446 -24.961
65 H THR 10 H THR 10 7.790 3.979 -26.577
66 HA THR 10 HA THR 10 5.861 3.986 -28.762
67 HB THR 10 HB THR 10 7.763 2.589 -29.193
68 HG1 THR 10 1HG THR 10 5.435 1.795 -29.564
69 HG21 THR 10 3HG2 THR 10 7.074 1.119 -26.656
70 HG22 THR 10 1HG2 THR 10 8.475 2.165 -26.896
71 HG23 THR 10 2HG2 THR 10 8.329 0.662 -27.804
72 H ALA 11 H ALA 11 6.291 2.631 -25.523
73 HA ALA 11 HA ALA 11 4.868 1.753 -23.991
74 HB1 ALA 11 3HB ALA 11 2.634 2.959 -25.618
75 HB2 ALA 11 1HB ALA 11 3.544 3.798 -24.363
76 HB3 ALA 11 2HB ALA 11 2.549 2.405 -23.945
77 H SER 12 H SER 12 3.600 1.338 -27.275
78 HA SER 12 HA SER 12 2.156 -1.016 -26.897
79 HB2 SER 12 2HB SER 12 2.138 0.459 -28.934
80 HB3 SER 12 1HB SER 12 3.702 -0.216 -29.377
81 HG SER 12 HG SER 12 2.612 -1.735 -30.302
82 H TYR 13 H TYR 13 5.478 -0.611 -28.105
83 HA TYR 13 HA TYR 13 6.113 -3.324 -28.311
84 HB2 TYR 13 2HB TYR 13 7.436 -1.582 -29.384
85 HB3 TYR 13 1HB TYR 13 7.916 -0.946 -27.815
86 HD1 TYR 13 2HD TYR 13 8.177 -3.978 -29.971
87 HD2 TYR 13 1HD TYR 13 9.861 -1.729 -26.768
88 HE1 TYR 13 2HE TYR 13 10.150 -5.446 -29.983
89 HE2 TYR 13 1HE TYR 13 11.834 -3.193 -26.775
90 HH TYR 13 HH TYR 13 12.493 -5.388 -29.292
91 H LEU 14 H LEU 14 6.219 -1.158 -25.564
92 HA LEU 14 HA LEU 14 7.746 -2.815 -23.840
93 HB2 LEU 14 2HB LEU 14 5.714 -0.685 -23.158
94 HB3 LEU 14 1HB LEU 14 6.872 -1.383 -22.040
95 HG LEU 14 HG LEU 14 7.570 0.253 -24.479
96 HD11 LEU 14 1HD1 LEU 14 6.518 1.578 -22.718
97 HD12 LEU 14 2HD1 LEU 14 8.231 1.964 -22.874
98 HD13 LEU 14 3HD1 LEU 14 7.673 0.944 -21.547
99 HD21 LEU 14 3HD2 LEU 14 9.309 -0.854 -22.274
100 HD22 LEU 14 1HD2 LEU 14 9.846 0.210 -23.574
101 HD23 LEU 14 2HD2 LEU 14 9.271 -1.418 -23.946
102 H ARG 15 H ARG 15 4.276 -2.419 -24.412
103 HA ARG 15 HA ARG 15 3.398 -4.301 -22.491
104 HB2 ARG 15 2HB ARG 15 2.113 -3.388 -25.074
105 HB3 ARG 15 1HB ARG 15 1.311 -4.407 -23.888
106 HG2 ARG 15 2HG ARG 15 1.481 -2.611 -22.237
107 HG3 ARG 15 1HG ARG 15 2.288 -1.591 -23.430
108 HD2 ARG 15 2HD ARG 15 0.326 -1.658 -24.856
109 HD3 ARG 15 1HD ARG 15 -0.482 -2.746 -23.730
110 HE ARG 15 HE ARG 15 -0.118 -0.705 -22.120
111 HH11 ARG 15 1HH1 ARG 15 -0.922 -0.621 -25.527
112 HH12 ARG 15 2HH1 ARG 15 -1.867 0.842 -25.408
113 HH21 ARG 15 1HH2 ARG 15 -1.430 1.172 -21.929
114 HH22 ARG 15 2HH2 ARG 15 -2.176 1.850 -23.355
115 H LEU 16 H LEU 16 4.252 -4.583 -25.920
116 HA LEU 16 HA LEU 16 3.500 -7.280 -26.226
117 HB2 LEU 16 2HB LEU 16 5.610 -5.720 -27.724
118 HB3 LEU 16 1HB LEU 16 4.917 -7.247 -28.238
119 HG LEU 16 HG LEU 16 3.406 -4.645 -27.950
120 HD11 LEU 16 1HD1 LEU 16 3.247 -4.719 -30.386
121 HD12 LEU 16 2HD1 LEU 16 4.257 -6.161 -30.415
122 HD13 LEU 16 3HD1 LEU 16 4.926 -4.628 -29.858
123 HD21 LEU 16 3HD2 LEU 16 1.562 -5.853 -29.010
124 HD22 LEU 16 1HD2 LEU 16 2.005 -6.569 -27.459
125 HD23 LEU 16 2HD2 LEU 16 2.515 -7.338 -28.961
126 H TRP 17 H TRP 17 6.453 -5.744 -25.143
127 HA TRP 17 HA TRP 17 8.203 -7.928 -25.217
128 HB2 TRP 17 2HB TRP 17 8.811 -5.517 -24.854
129 HB3 TRP 17 1HB TRP 17 8.230 -5.666 -23.202
130 HD1 TRP 17 HD TRP 17 11.092 -6.773 -25.483
131 HE1 TRP 17 1HE TRP 17 13.050 -7.624 -24.036
132 HE3 TRP 17 3HE TRP 17 8.806 -6.676 -20.913
133 HZ2 TRP 17 2HZ TRP 17 13.541 -8.189 -21.320
134 HZ3 TRP 17 3HZ TRP 17 10.095 -7.393 -18.941
135 HH2 TRP 17 HH TRP 17 12.414 -8.131 -19.145
136 H ALA 18 H ALA 18 5.587 -7.246 -23.122
137 HA ALA 18 HA ALA 18 6.556 -8.712 -20.850
138 HB1 ALA 18 3HB ALA 18 5.009 -6.824 -20.608
139 HB2 ALA 18 1HB ALA 18 4.352 -8.302 -19.905
140 HB3 ALA 18 2HB ALA 18 3.774 -7.735 -21.473
141 H LEU 19 H LEU 19 4.573 -9.290 -23.642
142 HA LEU 19 HA LEU 19 4.001 -12.021 -22.784
143 HB2 LEU 19 2HB LEU 19 3.179 -10.511 -25.277
144 HB3 LEU 19 1HB LEU 19 2.681 -12.146 -24.881
145 HG LEU 19 HG LEU 19 1.994 -9.679 -23.278
146 HD11 LEU 19 1HD1 LEU 19 -0.298 -10.083 -24.049
147 HD12 LEU 19 2HD1 LEU 19 0.292 -11.365 -25.108
148 HD13 LEU 19 3HD1 LEU 19 0.795 -9.695 -25.377
149 HD21 LEU 19 3HD2 LEU 19 1.110 -12.542 -22.965
150 HD22 LEU 19 1HD2 LEU 19 0.507 -11.167 -22.040
151 HD23 LEU 19 2HD2 LEU 19 2.192 -11.663 -21.882
152 H SER 20 H SER 20 6.592 -10.560 -23.843
153 HA SER 20 HA SER 20 7.288 -12.386 -25.995
154 HB2 SER 20 2HB SER 20 8.754 -10.010 -24.831
155 HB3 SER 20 1HB SER 20 9.343 -10.990 -26.167
156 HG SER 20 HG SER 20 6.852 -9.633 -26.175
157 H LEU 21 H LEU 21 7.167 -12.678 -22.830
158 HA LEU 21 HA LEU 21 8.071 -14.058 -21.280
159 HB2 LEU 21 2HB LEU 21 9.769 -15.118 -23.541
160 HB3 LEU 21 1HB LEU 21 9.601 -15.850 -21.959
161 HG LEU 21 HG LEU 21 7.391 -15.538 -23.992
162 HD11 LEU 21 1HD1 LEU 21 7.534 -17.958 -24.207
163 HD12 LEU 21 2HD1 LEU 21 8.885 -17.991 -23.075
164 HD13 LEU 21 3HD1 LEU 21 9.064 -17.198 -24.639
165 HD21 LEU 21 3HD2 LEU 21 7.403 -16.909 -21.304
166 HD22 LEU 21 1HD2 LEU 21 6.086 -16.946 -22.476
167 HD23 LEU 21 2HD2 LEU 21 6.544 -15.423 -21.712
168 H ALA 22 H ALA 22 10.362 -14.744 -20.351
169 HA ALA 22 HA ALA 22 12.234 -12.511 -20.704
170 HB1 ALA 22 3HB ALA 22 11.211 -13.413 -18.013
171 HB2 ALA 22 1HB ALA 22 10.725 -11.937 -18.846
172 HB3 ALA 22 2HB ALA 22 12.395 -12.138 -18.314
173 H HIS 23 H HIS 23 11.627 -15.700 -19.294
174 HA HIS 23 HA HIS 23 14.482 -16.272 -19.608
175 HB2 HIS 23 2HB HIS 23 14.430 -17.695 -17.645
176 HB3 HIS 23 1HB HIS 23 13.904 -16.072 -17.222
177 HD1 HIS 23 1HD HIS 23 11.844 -15.974 -15.835
178 HD2 HIS 23 2HD HIS 23 12.071 -19.514 -18.021
179 HE1 HIS 23 1HE HIS 23 9.904 -17.383 -15.064
180 HE2 HIS 23 2HE HIS 23 10.149 -19.582 -16.290
181 H ALA 24 H ALA 24 14.695 -18.868 -19.323
182 HA ALA 24 HA ALA 24 14.379 -20.917 -20.239
183 HB1 ALA 24 3HB ALA 24 12.128 -20.818 -19.247
184 HB2 ALA 24 1HB ALA 24 12.145 -21.702 -20.772
185 HB3 ALA 24 2HB ALA 24 11.526 -20.052 -20.718
186 H GLN 25 H GLN 25 15.283 -18.662 -21.792
187 HA GLN 25 HA GLN 25 14.303 -19.218 -24.481
188 HB2 GLN 25 2HB GLN 25 14.551 -16.867 -23.834
189 HB3 GLN 25 1HB GLN 25 16.245 -17.141 -23.452
190 HG2 GLN 25 2HG GLN 25 16.721 -17.612 -25.784
191 HG3 GLN 25 1HG GLN 25 15.016 -17.417 -26.186
192 HE21 GLN 25 1HE2 GLN 25 14.622 -15.174 -24.414
193 HE22 GLN 25 2HE2 GLN 25 15.404 -13.807 -25.141
Start of MODEL 6
1 H1 GLU 1 1HT GLU 1 14.722 3.288 -19.239
2 H2 GLU 1 2HT GLU 1 13.309 4.147 -18.852
3 H3 GLU 1 3HT GLU 1 14.829 4.840 -18.563
4 HA GLU 1 HA GLU 1 13.754 4.134 -21.225
5 HB2 GLU 1 2HB GLU 1 13.377 6.493 -19.572
6 HB3 GLU 1 1HB GLU 1 14.129 6.890 -21.115
7 HG2 GLU 1 2HG GLU 1 11.608 5.281 -20.813
8 HG3 GLU 1 1HG GLU 1 11.666 7.013 -21.147
9 H PHE 2 H PHE 2 15.180 4.009 -22.756
10 HA PHE 2 HA PHE 2 17.863 5.107 -22.294
11 HB2 PHE 2 2HB PHE 2 17.668 2.623 -22.625
12 HB3 PHE 2 1HB PHE 2 17.058 2.939 -24.244
13 HD1 PHE 2 2HD PHE 2 19.979 3.611 -22.043
14 HD2 PHE 2 1HD PHE 2 18.527 3.140 -26.014
15 HE1 PHE 2 2HE PHE 2 22.285 3.700 -22.896
16 HE2 PHE 2 1HE PHE 2 20.826 3.223 -26.875
17 HZ PHE 2 HZ PHE 2 22.717 3.511 -25.290
18 H CYS 3 H CYS 3 15.013 5.226 -24.254
19 HA CYS 3 HA CYS 3 16.450 6.790 -26.267
20 HB2 CYS 3 2HB CYS 3 15.137 4.724 -26.940
21 HB3 CYS 3 1HB CYS 3 13.689 5.646 -26.556
22 H LEU 4 H LEU 4 14.502 7.090 -23.616
23 HA LEU 4 HA LEU 4 13.406 8.806 -22.632
24 HB2 LEU 4 2HB LEU 4 14.877 10.323 -24.776
25 HB3 LEU 4 1HB LEU 4 13.762 11.135 -23.698
26 HG LEU 4 HG LEU 4 15.951 11.483 -22.853
27 HD11 LEU 4 1HD1 LEU 4 14.597 9.337 -21.236
28 HD12 LEU 4 2HD1 LEU 4 14.299 11.073 -21.143
29 HD13 LEU 4 3HD1 LEU 4 15.859 10.420 -20.646
30 HD21 LEU 4 3HD2 LEU 4 17.150 9.726 -23.995
31 HD22 LEU 4 1HD2 LEU 4 16.352 8.501 -23.005
32 HD23 LEU 4 2HD2 LEU 4 17.470 9.644 -22.263
33 H ASN 5 H ASN 5 12.106 7.176 -24.568
34 HA ASN 5 HA ASN 5 9.690 8.327 -25.036
35 HB2 ASN 5 2HB ASN 5 10.697 10.003 -26.476
36 HB3 ASN 5 1HB ASN 5 11.516 8.746 -27.409
37 HD21 ASN 5 1HD2 ASN 5 10.256 7.339 -28.708
38 HD22 ASN 5 2HD2 ASN 5 8.697 7.823 -29.280
39 H CYS 6 H CYS 6 12.170 6.388 -26.627
40 HA CYS 6 HA CYS 6 10.269 4.913 -28.158
41 HB2 CYS 6 2HB CYS 6 13.173 4.237 -27.742
42 HB3 CYS 6 1HB CYS 6 12.139 3.767 -29.090
43 H VAL 7 H VAL 7 11.001 4.744 -24.996
44 HA VAL 7 HA VAL 7 10.416 1.880 -24.927
45 HB VAL 7 HB VAL 7 12.209 3.527 -23.159
46 HG11 VAL 7 1HG1 VAL 7 11.113 0.766 -22.549
47 HG12 VAL 7 2HG1 VAL 7 10.765 2.243 -21.651
48 HG13 VAL 7 3HG1 VAL 7 12.398 1.579 -21.657
49 HG21 VAL 7 3HG2 VAL 7 13.172 2.485 -25.143
50 HG22 VAL 7 1HG2 VAL 7 12.584 0.912 -24.609
51 HG23 VAL 7 2HG2 VAL 7 13.810 1.760 -23.667
52 H SER 8 H SER 8 10.053 4.931 -23.183
53 HA SER 8 HA SER 8 7.949 3.855 -21.553
54 HB2 SER 8 2HB SER 8 9.634 5.538 -20.752
55 HB3 SER 8 1HB SER 8 8.835 6.732 -21.772
56 HG SER 8 HG SER 8 6.964 6.503 -20.550
57 H HIS 9 H HIS 9 8.201 6.126 -24.257
58 HA HIS 9 HA HIS 9 5.349 6.721 -24.106
59 HB2 HIS 9 2HB HIS 9 7.530 7.806 -25.898
60 HB3 HIS 9 1HB HIS 9 5.850 8.322 -25.966
61 HD1 HIS 9 1HD HIS 9 8.258 10.218 -25.353
62 HD2 HIS 9 2HD HIS 9 5.754 8.516 -22.504
63 HE1 HIS 9 1HE HIS 9 8.451 11.687 -23.321
64 HE2 HIS 9 2HE HIS 9 6.971 10.616 -21.586
65 H THR 10 H THR 10 6.755 4.116 -25.220
66 HA THR 10 HA THR 10 5.786 4.197 -27.960
67 HB THR 10 HB THR 10 7.925 3.133 -27.669
68 HG1 THR 10 1HG THR 10 6.856 2.069 -29.260
69 HG21 THR 10 3HG2 THR 10 7.763 2.472 -25.346
70 HG22 THR 10 1HG2 THR 10 8.189 1.078 -26.340
71 HG23 THR 10 2HG2 THR 10 6.538 1.267 -25.745
72 H ALA 11 H ALA 11 5.165 2.439 -24.960
73 HA ALA 11 HA ALA 11 3.452 1.150 -24.218
74 HB1 ALA 11 3HB ALA 11 2.158 3.185 -24.617
75 HB2 ALA 11 1HB ALA 11 1.196 1.733 -24.897
76 HB3 ALA 11 2HB ALA 11 1.827 2.648 -26.264
77 H SER 12 H SER 12 4.792 0.640 -27.113
78 HA SER 12 HA SER 12 3.055 -1.640 -27.769
79 HB2 SER 12 2HB SER 12 3.019 0.331 -29.392
80 HB3 SER 12 1HB SER 12 4.694 -0.063 -29.759
81 HG SER 12 HG SER 12 4.085 -1.889 -30.727
82 H TYR 13 H TYR 13 6.331 -0.297 -28.008
83 HA TYR 13 HA TYR 13 7.543 -2.814 -28.612
84 HB2 TYR 13 2HB TYR 13 8.512 -0.658 -29.331
85 HB3 TYR 13 1HB TYR 13 8.788 -0.227 -27.651
86 HD1 TYR 13 2HD TYR 13 9.808 -2.536 -30.360
87 HD2 TYR 13 1HD TYR 13 10.732 -1.004 -26.495
88 HE1 TYR 13 2HE TYR 13 12.026 -3.594 -30.473
89 HE2 TYR 13 1HE TYR 13 12.953 -2.056 -26.603
90 HH TYR 13 HH TYR 13 14.307 -3.217 -29.438
91 H LEU 14 H LEU 14 6.642 -1.149 -25.721
92 HA LEU 14 HA LEU 14 8.353 -2.885 -24.096
93 HB2 LEU 14 2HB LEU 14 8.419 -0.440 -23.695
94 HB3 LEU 14 1HB LEU 14 6.722 -0.486 -23.254
95 HG LEU 14 HG LEU 14 7.294 -1.989 -21.365
96 HD11 LEU 14 1HD1 LEU 14 10.133 -1.401 -22.187
97 HD12 LEU 14 2HD1 LEU 14 9.330 -2.971 -22.243
98 HD13 LEU 14 3HD1 LEU 14 9.644 -2.193 -20.692
99 HD21 LEU 14 3HD2 LEU 14 8.793 0.625 -21.386
100 HD22 LEU 14 1HD2 LEU 14 8.273 -0.268 -19.959
101 HD23 LEU 14 2HD2 LEU 14 7.073 0.435 -21.044
102 H ARG 15 H ARG 15 5.146 -2.666 -25.177
103 HA ARG 15 HA ARG 15 4.235 -4.430 -23.012
104 HB2 ARG 15 2HB ARG 15 2.767 -2.053 -24.153
105 HB3 ARG 15 1HB ARG 15 1.965 -3.316 -23.228
106 HG2 ARG 15 2HG ARG 15 3.397 -2.812 -21.302
107 HG3 ARG 15 1HG ARG 15 4.192 -1.541 -22.231
108 HD2 ARG 15 2HD ARG 15 2.476 -0.657 -20.708
109 HD3 ARG 15 1HD ARG 15 2.114 -0.312 -22.398
110 HE ARG 15 HE ARG 15 0.860 -2.631 -21.091
111 HH11 ARG 15 1HH1 ARG 15 0.603 0.556 -22.547
112 HH12 ARG 15 2HH1 ARG 15 -1.127 0.470 -22.750
113 HH21 ARG 15 1HH2 ARG 15 -1.423 -2.723 -21.309
114 HH22 ARG 15 2HH2 ARG 15 -2.276 -1.378 -22.028
115 H LEU 16 H LEU 16 3.447 -6.250 -23.688
116 HA LEU 16 HA LEU 16 2.316 -7.818 -24.860
117 HB2 LEU 16 2HB LEU 16 0.643 -6.013 -25.314
118 HB3 LEU 16 1HB LEU 16 1.503 -5.659 -26.800
119 HG LEU 16 HG LEU 16 1.008 -7.913 -27.628
120 HD11 LEU 16 1HD1 LEU 16 -0.531 -9.364 -26.414
121 HD12 LEU 16 2HD1 LEU 16 -0.534 -8.228 -25.065
122 HD13 LEU 16 3HD1 LEU 16 0.950 -9.074 -25.500
123 HD21 LEU 16 3HD2 LEU 16 -1.403 -7.632 -27.956
124 HD22 LEU 16 1HD2 LEU 16 -0.541 -6.102 -28.150
125 HD23 LEU 16 2HD2 LEU 16 -1.437 -6.430 -26.667
126 H TRP 17 H TRP 17 3.574 -5.567 -27.354
127 HA TRP 17 HA TRP 17 5.117 -5.837 -29.014
128 HB2 TRP 17 2HB TRP 17 6.490 -6.503 -27.011
129 HB3 TRP 17 1HB TRP 17 6.100 -8.174 -27.362
130 HD1 TRP 17 HD TRP 17 7.987 -5.196 -28.972
131 HE1 TRP 17 1HE TRP 17 9.885 -6.158 -30.440
132 HE3 TRP 17 3HE TRP 17 6.948 -10.179 -28.481
133 HZ2 TRP 17 2HZ TRP 17 10.795 -8.692 -31.278
134 HZ3 TRP 17 3HZ TRP 17 8.382 -11.806 -29.646
135 HH2 TRP 17 HH TRP 17 10.265 -11.078 -31.014
136 H ALA 18 H ALA 18 2.539 -7.437 -28.919
137 HA ALA 18 HA ALA 18 3.201 -9.881 -30.343
138 HB1 ALA 18 3HB ALA 18 0.541 -8.760 -29.480
139 HB2 ALA 18 1HB ALA 18 1.493 -9.966 -28.616
140 HB3 ALA 18 2HB ALA 18 0.801 -10.351 -30.195
141 H LEU 19 H LEU 19 1.222 -6.963 -30.917
142 HA LEU 19 HA LEU 19 1.233 -7.631 -33.790
143 HB2 LEU 19 2HB LEU 19 -0.962 -7.299 -32.621
144 HB3 LEU 19 1HB LEU 19 -0.513 -5.627 -32.357
145 HG LEU 19 HG LEU 19 -0.416 -5.301 -34.820
146 HD11 LEU 19 1HD1 LEU 19 0.061 -7.573 -35.505
147 HD12 LEU 19 2HD1 LEU 19 -1.425 -7.010 -36.267
148 HD13 LEU 19 3HD1 LEU 19 -1.503 -8.113 -34.893
149 HD21 LEU 19 3HD2 LEU 19 -2.435 -4.692 -33.616
150 HD22 LEU 19 1HD2 LEU 19 -3.029 -6.350 -33.731
151 HD23 LEU 19 2HD2 LEU 19 -2.853 -5.374 -35.189
152 H SER 20 H SER 20 3.075 -6.049 -31.760
153 HA SER 20 HA SER 20 3.303 -3.462 -32.966
154 HB2 SER 20 2HB SER 20 3.887 -3.937 -30.582
155 HB3 SER 20 1HB SER 20 5.238 -4.926 -31.141
156 HG SER 20 HG SER 20 6.288 -3.155 -31.798
157 H LEU 21 H LEU 21 4.367 -2.993 -34.797
158 HA LEU 21 HA LEU 21 5.822 -5.053 -36.185
159 HB2 LEU 21 2HB LEU 21 5.533 -2.111 -36.837
160 HB3 LEU 21 1HB LEU 21 6.231 -3.319 -37.895
161 HG LEU 21 HG LEU 21 3.364 -3.294 -36.962
162 HD11 LEU 21 1HD1 LEU 21 3.819 -1.446 -38.471
163 HD12 LEU 21 2HD1 LEU 21 2.852 -2.679 -39.280
164 HD13 LEU 21 3HD1 LEU 21 4.578 -2.549 -39.619
165 HD21 LEU 21 3HD2 LEU 21 3.045 -5.058 -38.613
166 HD22 LEU 21 1HD2 LEU 21 4.228 -5.543 -37.398
167 HD23 LEU 21 2HD2 LEU 21 4.766 -5.027 -38.997
168 H ALA 22 H ALA 22 7.675 -5.635 -35.224
169 HA ALA 22 HA ALA 22 9.466 -3.578 -34.195
170 HB1 ALA 22 3HB ALA 22 10.732 -5.470 -33.262
171 HB2 ALA 22 1HB ALA 22 9.612 -6.588 -34.043
172 HB3 ALA 22 2HB ALA 22 9.037 -5.503 -32.779
173 H HIS 23 H HIS 23 9.374 -6.196 -36.556
174 HA HIS 23 HA HIS 23 11.909 -5.315 -37.637
175 HB2 HIS 23 2HB HIS 23 11.952 -7.279 -38.951
176 HB3 HIS 23 1HB HIS 23 11.339 -7.762 -37.380
177 HD1 HIS 23 1HD HIS 23 10.740 -8.229 -40.859
178 HD2 HIS 23 2HD HIS 23 8.314 -7.905 -37.483
179 HE1 HIS 23 1HE HIS 23 8.533 -9.260 -41.493
180 HE2 HIS 23 2HE HIS 23 7.061 -9.025 -39.456
181 H ALA 24 H ALA 24 12.096 -3.954 -39.269
182 HA ALA 24 HA ALA 24 9.741 -3.166 -40.799
183 HB1 ALA 24 3HB ALA 24 11.093 -1.351 -41.627
184 HB2 ALA 24 1HB ALA 24 12.553 -2.086 -40.963
185 HB3 ALA 24 2HB ALA 24 11.309 -1.464 -39.879
186 H GLN 25 H GLN 25 12.203 -5.389 -40.983
187 HA GLN 25 HA GLN 25 11.971 -5.641 -43.901
188 HB2 GLN 25 2HB GLN 25 14.216 -4.984 -43.169
189 HB3 GLN 25 1HB GLN 25 14.262 -6.346 -42.061
190 HG2 GLN 25 2HG GLN 25 14.230 -7.886 -43.944
191 HG3 GLN 25 1HG GLN 25 14.141 -6.528 -45.066
192 HE21 GLN 25 1HE2 GLN 25 15.951 -4.933 -43.317
193 HE22 GLN 25 2HE2 GLN 25 17.544 -5.565 -43.617
Start of MODEL 7
1 H1 GLU 1 1HT GLU 1 11.469 3.773 -18.168
2 H2 GLU 1 2HT GLU 1 9.892 4.326 -18.480
3 H3 GLU 1 3HT GLU 1 11.168 5.434 -18.295
4 HA GLU 1 HA GLU 1 11.151 3.395 -20.428
5 HB2 GLU 1 2HB GLU 1 10.477 5.313 -21.933
6 HB3 GLU 1 1HB GLU 1 9.221 4.597 -20.939
7 HG2 GLU 1 2HG GLU 1 9.548 6.458 -19.325
8 HG3 GLU 1 1HG GLU 1 10.623 7.207 -20.511
9 H PHE 2 H PHE 2 13.066 3.189 -21.226
10 HA PHE 2 HA PHE 2 15.314 4.446 -20.278
11 HB2 PHE 2 2HB PHE 2 15.190 2.276 -21.559
12 HB3 PHE 2 1HB PHE 2 15.086 3.230 -23.033
13 HD1 PHE 2 2HD PHE 2 17.256 2.271 -20.233
14 HD2 PHE 2 1HD PHE 2 17.000 4.294 -23.960
15 HE1 PHE 2 2HE PHE 2 19.712 2.358 -20.345
16 HE2 PHE 2 1HE PHE 2 19.452 4.383 -24.085
17 HZ PHE 2 HZ PHE 2 20.816 3.419 -22.275
18 H CYS 3 H CYS 3 13.684 5.129 -23.388
19 HA CYS 3 HA CYS 3 15.451 7.411 -23.726
20 HB2 CYS 3 2HB CYS 3 13.383 6.688 -25.751
21 HB3 CYS 3 1HB CYS 3 14.984 7.369 -25.996
22 H LEU 4 H LEU 4 12.965 7.143 -21.910
23 HA LEU 4 HA LEU 4 11.162 8.355 -21.236
24 HB2 LEU 4 2HB LEU 4 12.646 10.546 -22.685
25 HB3 LEU 4 1HB LEU 4 11.273 10.805 -21.627
26 HG LEU 4 HG LEU 4 13.933 9.656 -20.788
27 HD11 LEU 4 1HD1 LEU 4 14.173 11.746 -19.531
28 HD12 LEU 4 2HD1 LEU 4 12.677 12.343 -20.253
29 HD13 LEU 4 3HD1 LEU 4 14.084 12.032 -21.271
30 HD21 LEU 4 3HD2 LEU 4 11.489 10.360 -19.164
31 HD22 LEU 4 1HD2 LEU 4 13.042 9.832 -18.514
32 HD23 LEU 4 2HD2 LEU 4 12.076 8.729 -19.497
33 H ASN 5 H ASN 5 10.826 6.886 -23.626
34 HA ASN 5 HA ASN 5 8.448 7.798 -24.652
35 HB2 ASN 5 2HB ASN 5 9.733 9.662 -25.644
36 HB3 ASN 5 1HB ASN 5 10.739 8.497 -26.506
37 HD21 ASN 5 1HD2 ASN 5 9.670 7.100 -28.061
38 HD22 ASN 5 2HD2 ASN 5 8.245 7.646 -28.873
39 H CYS 6 H CYS 6 11.482 6.382 -25.827
40 HA CYS 6 HA CYS 6 10.336 4.772 -27.818
41 HB2 CYS 6 2HB CYS 6 12.473 3.767 -28.057
42 HB3 CYS 6 1HB CYS 6 12.796 5.422 -27.551
43 H VAL 7 H VAL 7 10.382 4.452 -24.482
44 HA VAL 7 HA VAL 7 9.934 1.588 -24.659
45 HB VAL 7 HB VAL 7 10.895 3.329 -22.389
46 HG11 VAL 7 1HG1 VAL 7 10.011 0.436 -22.173
47 HG12 VAL 7 2HG1 VAL 7 9.147 1.810 -21.491
48 HG13 VAL 7 3HG1 VAL 7 10.754 1.397 -20.898
49 HG21 VAL 7 3HG2 VAL 7 12.732 1.672 -22.369
50 HG22 VAL 7 1HG2 VAL 7 12.572 2.489 -23.925
51 HG23 VAL 7 2HG2 VAL 7 11.974 0.842 -23.730
52 H SER 8 H SER 8 8.629 4.424 -22.835
53 HA SER 8 HA SER 8 6.299 2.780 -22.328
54 HB2 SER 8 2HB SER 8 7.350 3.919 -20.419
55 HB3 SER 8 1HB SER 8 6.954 5.475 -21.153
56 HG SER 8 HG SER 8 4.698 4.221 -21.136
57 H HIS 9 H HIS 9 7.065 5.894 -23.800
58 HA HIS 9 HA HIS 9 4.368 6.554 -24.402
59 HB2 HIS 9 2HB HIS 9 7.031 7.575 -25.348
60 HB3 HIS 9 1HB HIS 9 5.541 8.125 -26.111
61 HD1 HIS 9 1HD HIS 9 7.223 8.096 -22.690
62 HD2 HIS 9 2HD HIS 9 4.209 10.084 -24.764
63 HE1 HIS 9 1HE HIS 9 6.485 9.973 -21.196
64 HE2 HIS 9 2HE HIS 9 4.496 10.992 -22.352
65 H THR 10 H THR 10 6.651 4.464 -25.942
66 HA THR 10 HA THR 10 5.239 4.430 -28.456
67 HB THR 10 HB THR 10 7.382 2.552 -27.436
68 HG1 THR 10 1HG THR 10 7.485 5.050 -28.800
69 HG21 THR 10 3HG2 THR 10 7.743 2.048 -29.803
70 HG22 THR 10 1HG2 THR 10 6.418 3.125 -30.238
71 HG23 THR 10 2HG2 THR 10 6.095 1.659 -29.315
72 H ALA 11 H ALA 11 5.221 2.790 -25.445
73 HA ALA 11 HA ALA 11 3.722 1.430 -24.447
74 HB1 ALA 11 3HB ALA 11 2.114 1.732 -26.971
75 HB2 ALA 11 1HB ALA 11 2.015 2.765 -25.544
76 HB3 ALA 11 2HB ALA 11 1.531 1.069 -25.443
77 H SER 12 H SER 12 3.597 0.432 -27.848
78 HA SER 12 HA SER 12 3.280 -2.311 -27.407
79 HB2 SER 12 2HB SER 12 3.188 -0.782 -29.567
80 HB3 SER 12 1HB SER 12 4.850 -1.320 -29.733
81 HG SER 12 HG SER 12 2.869 -2.619 -30.627
82 H TYR 13 H TYR 13 6.066 -0.301 -27.649
83 HA TYR 13 HA TYR 13 7.981 -2.339 -28.031
84 HB2 TYR 13 2HB TYR 13 7.939 0.268 -28.499
85 HB3 TYR 13 1HB TYR 13 8.696 0.325 -26.924
86 HD1 TYR 13 1HD TYR 13 10.858 -1.141 -26.631
87 HD2 TYR 13 2HD TYR 13 9.187 -0.075 -30.398
88 HE1 TYR 13 1HE TYR 13 13.021 -1.587 -27.721
89 HE2 TYR 13 2HE TYR 13 11.341 -0.523 -31.491
90 HH TYR 13 HH TYR 13 13.769 -2.250 -30.149
91 H LEU 14 H LEU 14 6.276 -1.358 -25.257
92 HA LEU 14 HA LEU 14 8.392 -2.417 -23.501
93 HB2 LEU 14 2HB LEU 14 7.486 -1.247 -21.694
94 HB3 LEU 14 1HB LEU 14 7.382 -0.124 -23.031
95 HG LEU 14 HG LEU 14 4.914 -1.252 -23.145
96 HD11 LEU 14 1HD1 LEU 14 5.691 -1.174 -20.232
97 HD12 LEU 14 2HD1 LEU 14 5.236 -2.604 -21.164
98 HD13 LEU 14 3HD1 LEU 14 4.048 -1.338 -20.845
99 HD21 LEU 14 3HD2 LEU 14 4.139 0.788 -22.016
100 HD22 LEU 14 1HD2 LEU 14 5.400 1.115 -23.203
101 HD23 LEU 14 2HD2 LEU 14 5.791 1.104 -21.485
102 H ARG 15 H ARG 15 5.100 -2.891 -24.587
103 HA ARG 15 HA ARG 15 5.203 -5.643 -23.902
104 HB2 ARG 15 2HB ARG 15 3.512 -5.822 -22.251
105 HB3 ARG 15 1HB ARG 15 4.615 -4.585 -21.665
106 HG2 ARG 15 2HG ARG 15 3.071 -2.849 -22.444
107 HG3 ARG 15 1HG ARG 15 1.968 -4.099 -23.022
108 HD2 ARG 15 2HD ARG 15 1.918 -4.976 -20.652
109 HD3 ARG 15 1HD ARG 15 2.755 -3.498 -20.180
110 HE ARG 15 HE ARG 15 0.082 -3.546 -21.448
111 HH11 ARG 15 1HH1 ARG 15 2.337 -2.255 -19.094
112 HH12 ARG 15 2HH1 ARG 15 1.258 -0.981 -18.581
113 HH21 ARG 15 1HH2 ARG 15 -1.326 -1.937 -20.772
114 HH22 ARG 15 2HH2 ARG 15 -0.845 -0.792 -19.546
115 H LEU 16 H LEU 16 3.051 -6.715 -24.405
116 HA LEU 16 HA LEU 16 2.046 -5.800 -26.897
117 HB2 LEU 16 2HB LEU 16 0.828 -7.816 -25.010
118 HB3 LEU 16 1HB LEU 16 0.424 -7.613 -26.704
119 HG LEU 16 HG LEU 16 3.130 -8.494 -25.684
120 HD11 LEU 16 1HD1 LEU 16 2.512 -10.718 -26.394
121 HD12 LEU 16 2HD1 LEU 16 0.938 -10.138 -26.935
122 HD13 LEU 16 3HD1 LEU 16 1.338 -10.122 -25.219
123 HD21 LEU 16 3HD2 LEU 16 3.207 -7.372 -27.863
124 HD22 LEU 16 1HD2 LEU 16 1.978 -8.481 -28.473
125 HD23 LEU 16 2HD2 LEU 16 3.562 -9.093 -27.998
126 H TRP 17 H TRP 17 1.230 -3.716 -26.650
127 HA TRP 17 HA TRP 17 -1.427 -3.494 -25.562
128 HB2 TRP 17 2HB TRP 17 -0.094 -3.236 -23.523
129 HB3 TRP 17 1HB TRP 17 0.868 -1.978 -24.287
130 HD1 TRP 17 HD TRP 17 -2.997 -2.353 -23.906
131 HE1 TRP 17 1HE TRP 17 -3.895 -0.155 -22.896
132 HE3 TRP 17 3HE TRP 17 1.427 0.139 -23.324
133 HZ2 TRP 17 2HZ TRP 17 -2.857 2.292 -21.973
134 HZ3 TRP 17 3HZ TRP 17 1.388 2.407 -22.365
135 HH2 TRP 17 HH TRP 17 -0.712 3.461 -21.703
136 H ALA 18 H ALA 18 -2.563 -2.049 -26.657
137 HA ALA 18 HA ALA 18 -3.175 -0.249 -27.885
138 HB1 ALA 18 3HB ALA 18 -1.767 1.722 -27.998
139 HB2 ALA 18 1HB ALA 18 -0.388 0.788 -27.415
140 HB3 ALA 18 2HB ALA 18 -1.777 1.059 -26.361
141 H LEU 19 H LEU 19 0.235 -0.365 -28.887
142 HA LEU 19 HA LEU 19 -0.649 -0.491 -31.661
143 HB2 LEU 19 2HB LEU 19 2.124 -0.159 -30.506
144 HB3 LEU 19 1HB LEU 19 1.705 -0.043 -32.205
145 HG LEU 19 HG LEU 19 0.717 1.815 -30.045
146 HD11 LEU 19 1HD1 LEU 19 2.145 3.475 -31.163
147 HD12 LEU 19 2HD1 LEU 19 2.791 2.202 -32.200
148 HD13 LEU 19 3HD1 LEU 19 3.071 2.152 -30.458
149 HD21 LEU 19 3HD2 LEU 19 -0.137 3.138 -31.943
150 HD22 LEU 19 1HD2 LEU 19 -0.914 1.560 -31.808
151 HD23 LEU 19 2HD2 LEU 19 0.322 1.833 -33.035
152 H SER 20 H SER 20 -1.258 -2.836 -30.472
153 HA SER 20 HA SER 20 0.860 -4.757 -30.821
154 HB2 SER 20 2HB SER 20 -0.930 -5.046 -29.120
155 HB3 SER 20 1HB SER 20 -2.104 -5.227 -30.423
156 HG SER 20 HG SER 20 -1.489 -7.263 -29.812
157 H LEU 21 H LEU 21 0.544 -6.661 -32.317
158 HA LEU 21 HA LEU 21 -0.160 -5.587 -34.946
159 HB2 LEU 21 2HB LEU 21 1.417 -8.042 -34.175
160 HB3 LEU 21 1HB LEU 21 1.117 -7.525 -35.822
161 HG LEU 21 HG LEU 21 2.724 -6.005 -33.762
162 HD11 LEU 21 1HD1 LEU 21 4.630 -6.546 -35.180
163 HD12 LEU 21 2HD1 LEU 21 3.585 -7.470 -36.258
164 HD13 LEU 21 3HD1 LEU 21 3.847 -8.017 -34.602
165 HD21 LEU 21 3HD2 LEU 21 1.563 -4.491 -35.277
166 HD22 LEU 21 1HD2 LEU 21 2.170 -5.389 -36.666
167 HD23 LEU 21 2HD2 LEU 21 3.291 -4.508 -35.627
168 H ALA 22 H ALA 22 -1.410 -6.800 -36.439
169 HA ALA 22 HA ALA 22 -3.381 -8.515 -35.089
170 HB1 ALA 22 3HB ALA 22 -3.580 -7.159 -37.772
171 HB2 ALA 22 1HB ALA 22 -4.231 -6.527 -36.259
172 HB3 ALA 22 2HB ALA 22 -4.866 -8.025 -36.934
173 H HIS 23 H HIS 23 -0.747 -8.686 -37.182
174 HA HIS 23 HA HIS 23 -1.247 -11.478 -37.650
175 HB2 HIS 23 2HB HIS 23 -1.008 -11.444 -40.044
176 HB3 HIS 23 1HB HIS 23 -2.310 -10.344 -39.614
177 HD1 HIS 23 1HD HIS 23 0.046 -10.477 -42.062
178 HD2 HIS 23 2HD HIS 23 -0.710 -7.590 -39.162
179 HE1 HIS 23 1HE HIS 23 1.019 -8.336 -42.959
180 HE2 HIS 23 2HE HIS 23 0.820 -6.700 -41.055
181 H ALA 24 H ALA 24 0.614 -12.655 -38.136
182 HA ALA 24 HA ALA 24 3.087 -11.255 -37.471
183 HB1 ALA 24 3HB ALA 24 4.062 -13.444 -37.144
184 HB2 ALA 24 1HB ALA 24 2.600 -14.216 -37.765
185 HB3 ALA 24 2HB ALA 24 2.547 -13.314 -36.249
186 H GLN 25 H GLN 25 1.555 -12.962 -40.087
187 HA GLN 25 HA GLN 25 3.884 -12.420 -41.789
188 HB2 GLN 25 2HB GLN 25 3.315 -14.774 -41.739
189 HB3 GLN 25 1HB GLN 25 1.633 -14.413 -42.091
190 HG2 GLN 25 2HG GLN 25 2.251 -13.607 -44.302
191 HG3 GLN 25 1HG GLN 25 3.950 -13.910 -43.950
192 HE21 GLN 25 1HE2 GLN 25 0.861 -15.352 -44.639
193 HE22 GLN 25 2HE2 GLN 25 1.453 -16.928 -45.023
Start of MODEL 8
1 H1 GLU 1 1HT GLU 1 6.135 4.867 -15.397
2 H2 GLU 1 2HT GLU 1 5.102 4.756 -16.741
3 H3 GLU 1 3HT GLU 1 5.651 6.272 -16.213
4 HA GLU 1 HA GLU 1 7.405 4.119 -17.248
5 HB2 GLU 1 2HB GLU 1 7.598 5.416 -19.276
6 HB3 GLU 1 1HB GLU 1 5.934 4.927 -19.001
7 HG2 GLU 1 2HG GLU 1 5.361 7.135 -18.256
8 HG3 GLU 1 1HG GLU 1 7.045 7.648 -18.374
9 H PHE 2 H PHE 2 9.524 4.755 -17.596
10 HA PHE 2 HA PHE 2 10.331 7.063 -15.974
11 HB2 PHE 2 2HB PHE 2 11.277 4.839 -15.389
12 HB3 PHE 2 1HB PHE 2 12.003 4.759 -16.991
13 HD1 PHE 2 2HD PHE 2 11.895 7.004 -14.015
14 HD2 PHE 2 1HD PHE 2 14.167 5.440 -17.248
15 HE1 PHE 2 2HE PHE 2 13.877 8.195 -13.188
16 HE2 PHE 2 1HE PHE 2 16.162 6.637 -16.429
17 HZ PHE 2 HZ PHE 2 16.013 8.019 -14.393
18 H CYS 3 H CYS 3 9.971 6.032 -19.200
19 HA CYS 3 HA CYS 3 12.213 7.568 -20.191
20 HB2 CYS 3 2HB CYS 3 10.233 6.291 -21.981
21 HB3 CYS 3 1HB CYS 3 11.978 6.436 -22.167
22 H LEU 4 H LEU 4 8.994 8.193 -19.484
23 HA LEU 4 HA LEU 4 7.453 9.754 -20.093
24 HB2 LEU 4 2HB LEU 4 10.001 11.226 -20.777
25 HB3 LEU 4 1HB LEU 4 8.417 11.963 -20.934
26 HG LEU 4 HG LEU 4 8.111 11.433 -18.441
27 HD11 LEU 4 1HD1 LEU 4 9.987 9.857 -18.265
28 HD12 LEU 4 2HD1 LEU 4 10.134 11.204 -17.135
29 HD13 LEU 4 3HD1 LEU 4 11.107 11.173 -18.606
30 HD21 LEU 4 3HD2 LEU 4 8.440 13.681 -19.268
31 HD22 LEU 4 1HD2 LEU 4 10.183 13.427 -19.337
32 HD23 LEU 4 2HD2 LEU 4 9.356 13.441 -17.780
33 H ASN 5 H ASN 5 7.906 7.709 -21.917
34 HA ASN 5 HA ASN 5 6.875 8.608 -24.334
35 HB2 ASN 5 2HB ASN 5 8.940 9.711 -24.840
36 HB3 ASN 5 1HB ASN 5 9.881 8.303 -24.342
37 HD21 ASN 5 1HD2 ASN 5 9.917 6.471 -25.646
38 HD22 ASN 5 2HD2 ASN 5 9.501 6.542 -27.334
39 H CYS 6 H CYS 6 9.037 6.187 -22.842
40 HA CYS 6 HA CYS 6 8.757 4.397 -25.005
41 HB2 CYS 6 2HB CYS 6 9.848 2.735 -23.618
42 HB3 CYS 6 1HB CYS 6 10.677 4.281 -23.503
43 H VAL 7 H VAL 7 6.928 4.970 -22.127
44 HA VAL 7 HA VAL 7 5.382 2.539 -22.639
45 HB VAL 7 HB VAL 7 5.425 4.379 -20.246
46 HG11 VAL 7 1HG1 VAL 7 3.862 2.812 -19.178
47 HG12 VAL 7 2HG1 VAL 7 3.742 1.902 -20.682
48 HG13 VAL 7 3HG1 VAL 7 3.135 3.557 -20.603
49 HG21 VAL 7 3HG2 VAL 7 6.247 1.491 -20.596
50 HG22 VAL 7 1HG2 VAL 7 6.282 2.390 -19.081
51 HG23 VAL 7 2HG2 VAL 7 7.331 2.871 -20.416
52 H SER 8 H SER 8 4.943 6.025 -22.185
53 HA SER 8 HA SER 8 2.142 5.963 -22.682
54 HB2 SER 8 2HB SER 8 2.355 8.440 -22.806
55 HB3 SER 8 1HB SER 8 3.074 7.747 -21.352
56 HG SER 8 HG SER 8 4.926 8.522 -21.940
57 H HIS 9 H HIS 9 4.922 6.957 -24.678
58 HA HIS 9 HA HIS 9 3.145 7.632 -26.868
59 HB2 HIS 9 2HB HIS 9 5.123 9.030 -26.210
60 HB3 HIS 9 1HB HIS 9 6.163 7.728 -26.785
61 HD1 HIS 9 1HD HIS 9 4.558 10.783 -27.855
62 HD2 HIS 9 2HD HIS 9 5.696 7.221 -29.696
63 HE1 HIS 9 1HE HIS 9 4.651 11.280 -30.322
64 HE2 HIS 9 2HE HIS 9 5.296 9.109 -31.430
65 H THR 10 H THR 10 5.468 5.136 -26.024
66 HA THR 10 HA THR 10 5.251 4.009 -28.711
67 HB THR 10 HB THR 10 6.917 2.929 -26.441
68 HG1 THR 10 1HG THR 10 7.250 5.281 -27.308
69 HG21 THR 10 3HG2 THR 10 8.231 1.962 -28.260
70 HG22 THR 10 1HG2 THR 10 7.161 2.713 -29.443
71 HG23 THR 10 2HG2 THR 10 6.545 1.459 -28.368
72 H ALA 11 H ALA 11 5.142 2.871 -25.368
73 HA ALA 11 HA ALA 11 3.896 1.312 -24.286
74 HB1 ALA 11 3HB ALA 11 1.975 2.555 -25.111
75 HB2 ALA 11 1HB ALA 11 1.635 0.827 -25.064
76 HB3 ALA 11 2HB ALA 11 1.994 1.612 -26.602
77 H SER 12 H SER 12 3.557 0.514 -27.738
78 HA SER 12 HA SER 12 3.072 -2.155 -27.578
79 HB2 SER 12 2HB SER 12 3.187 -0.613 -29.625
80 HB3 SER 12 1HB SER 12 4.896 -1.032 -29.694
81 HG SER 12 HG SER 12 2.795 -2.434 -30.574
82 H TYR 13 H TYR 13 6.315 -0.751 -27.945
83 HA TYR 13 HA TYR 13 7.702 -3.138 -28.202
84 HB2 TYR 13 2HB TYR 13 8.583 -0.947 -28.840
85 HB3 TYR 13 1HB TYR 13 8.690 -0.482 -27.149
86 HD1 TYR 13 2HD TYR 13 9.880 -3.168 -29.449
87 HD2 TYR 13 1HD TYR 13 10.746 -0.704 -26.093
88 HE1 TYR 13 2HE TYR 13 12.164 -4.072 -29.384
89 HE2 TYR 13 1HE TYR 13 13.039 -1.593 -26.023
90 HH TYR 13 HH TYR 13 14.299 -3.502 -26.740
91 H LEU 14 H LEU 14 6.643 -1.539 -25.267
92 HA LEU 14 HA LEU 14 8.209 -3.493 -23.708
93 HB2 LEU 14 2HB LEU 14 7.292 -0.722 -22.930
94 HB3 LEU 14 1HB LEU 14 8.047 -1.857 -21.828
95 HG LEU 14 HG LEU 14 9.332 -0.687 -24.298
96 HD11 LEU 14 1HD1 LEU 14 9.095 0.949 -22.521
97 HD12 LEU 14 2HD1 LEU 14 10.782 0.468 -22.700
98 HD13 LEU 14 3HD1 LEU 14 9.820 -0.174 -21.369
99 HD21 LEU 14 3HD2 LEU 14 10.429 -2.534 -22.187
100 HD22 LEU 14 1HD2 LEU 14 11.379 -1.755 -23.450
101 HD23 LEU 14 2HD2 LEU 14 10.139 -2.932 -23.881
102 H ARG 15 H ARG 15 5.161 -3.002 -24.773
103 HA ARG 15 HA ARG 15 4.002 -4.138 -22.311
104 HB2 ARG 15 2HB ARG 15 2.753 -2.174 -24.228
105 HB3 ARG 15 1HB ARG 15 1.830 -3.068 -23.030
106 HG2 ARG 15 2HG ARG 15 4.082 -1.161 -22.424
107 HG3 ARG 15 1HG ARG 15 2.362 -0.802 -22.283
108 HD2 ARG 15 2HD ARG 15 3.886 -2.887 -20.728
109 HD3 ARG 15 1HD ARG 15 3.280 -1.351 -20.110
110 HE ARG 15 HE ARG 15 1.020 -2.422 -20.923
111 HH11 ARG 15 1HH1 ARG 15 3.660 -3.931 -19.163
112 HH12 ARG 15 2HH1 ARG 15 2.627 -5.126 -18.418
113 HH21 ARG 15 1HH2 ARG 15 -0.314 -3.943 -19.984
114 HH22 ARG 15 2HH2 ARG 15 0.348 -5.140 -18.899
115 H LEU 16 H LEU 16 3.741 -3.997 -25.845
116 HA LEU 16 HA LEU 16 1.886 -6.233 -25.823
117 HB2 LEU 16 2HB LEU 16 3.011 -4.623 -28.117
118 HB3 LEU 16 1HB LEU 16 1.829 -5.907 -28.283
119 HG LEU 16 HG LEU 16 1.428 -3.271 -26.866
120 HD11 LEU 16 1HD1 LEU 16 -0.239 -2.880 -28.612
121 HD12 LEU 16 2HD1 LEU 16 0.190 -4.415 -29.369
122 HD13 LEU 16 3HD1 LEU 16 1.371 -3.109 -29.297
123 HD21 LEU 16 3HD2 LEU 16 0.270 -5.069 -25.691
124 HD22 LEU 16 1HD2 LEU 16 -0.490 -5.578 -27.197
125 HD23 LEU 16 2HD2 LEU 16 -0.870 -3.999 -26.506
126 H TRP 17 H TRP 17 5.086 -5.968 -25.514
127 HA TRP 17 HA TRP 17 5.802 -8.234 -27.193
128 HB2 TRP 17 2HB TRP 17 7.304 -6.199 -26.826
129 HB3 TRP 17 1HB TRP 17 7.558 -6.797 -25.192
130 HD1 TRP 17 HD TRP 17 8.067 -8.045 -28.830
131 HE1 TRP 17 1HE TRP 17 10.153 -9.558 -28.871
132 HE3 TRP 17 3HE TRP 17 9.191 -7.997 -23.839
133 HZ2 TRP 17 2HZ TRP 17 12.023 -10.592 -27.014
134 HZ3 TRP 17 3HZ TRP 17 11.140 -9.274 -23.053
135 HH2 TRP 17 HH TRP 17 12.527 -10.545 -24.607
136 H ALA 18 H ALA 18 4.251 -7.837 -24.371
137 HA ALA 18 HA ALA 18 5.554 -9.963 -22.877
138 HB1 ALA 18 3HB ALA 18 3.890 -9.486 -21.150
139 HB2 ALA 18 1HB ALA 18 3.088 -8.352 -22.234
140 HB3 ALA 18 2HB ALA 18 4.724 -8.019 -21.666
141 H LEU 19 H LEU 19 4.784 -11.985 -22.620
142 HA LEU 19 HA LEU 19 3.675 -13.910 -23.089
143 HB2 LEU 19 2HB LEU 19 1.364 -12.064 -23.696
144 HB3 LEU 19 1HB LEU 19 1.244 -13.810 -23.612
145 HG LEU 19 HG LEU 19 1.979 -11.987 -21.318
146 HD11 LEU 19 1HD1 LEU 19 -0.218 -12.597 -20.430
147 HD12 LEU 19 2HD1 LEU 19 -0.560 -13.509 -21.899
148 HD13 LEU 19 3HD1 LEU 19 -0.352 -11.759 -21.976
149 HD21 LEU 19 3HD2 LEU 19 1.518 -14.971 -21.392
150 HD22 LEU 19 1HD2 LEU 19 1.776 -14.007 -19.936
151 HD23 LEU 19 2HD2 LEU 19 3.064 -14.165 -21.129
152 H SER 20 H SER 20 4.978 -12.129 -25.195
153 HA SER 20 HA SER 20 3.655 -12.895 -27.638
154 HB2 SER 20 2HB SER 20 4.807 -10.712 -27.390
155 HB3 SER 20 1HB SER 20 6.341 -11.561 -27.230
156 HG SER 20 HG SER 20 4.622 -11.435 -29.489
157 H LEU 21 H LEU 21 4.433 -14.350 -29.169
158 HA LEU 21 HA LEU 21 5.801 -16.621 -28.112
159 HB2 LEU 21 2HB LEU 21 4.926 -15.963 -30.929
160 HB3 LEU 21 1HB LEU 21 5.648 -17.488 -30.464
161 HG LEU 21 HG LEU 21 3.347 -17.910 -30.564
162 HD11 LEU 21 1HD1 LEU 21 4.366 -18.836 -28.565
163 HD12 LEU 21 2HD1 LEU 21 2.686 -18.390 -28.267
164 HD13 LEU 21 3HD1 LEU 21 3.990 -17.361 -27.673
165 HD21 LEU 21 3HD2 LEU 21 2.912 -15.381 -28.986
166 HD22 LEU 21 1HD2 LEU 21 1.653 -16.537 -29.424
167 HD23 LEU 21 2HD2 LEU 21 2.513 -15.652 -30.683
168 H ALA 22 H ALA 22 7.923 -17.148 -28.236
169 HA ALA 22 HA ALA 22 9.682 -15.106 -29.371
170 HB1 ALA 22 3HB ALA 22 11.437 -16.127 -27.988
171 HB2 ALA 22 1HB ALA 22 10.291 -17.360 -27.459
172 HB3 ALA 22 2HB ALA 22 10.034 -15.672 -27.019
173 H HIS 23 H HIS 23 8.983 -18.557 -29.497
174 HA HIS 23 HA HIS 23 10.080 -18.690 -32.148
175 HB2 HIS 23 2HB HIS 23 11.746 -20.400 -31.724
176 HB3 HIS 23 1HB HIS 23 12.127 -18.962 -30.792
177 HD1 HIS 23 1HD HIS 23 11.885 -22.548 -30.464
178 HD2 HIS 23 2HD HIS 23 11.205 -19.289 -27.957
179 HE1 HIS 23 1HE HIS 23 11.901 -23.466 -28.125
180 HE2 HIS 23 2HE HIS 23 11.728 -21.450 -26.628
181 H ALA 24 H ALA 24 8.786 -19.951 -33.285
182 HA ALA 24 HA ALA 24 7.085 -21.912 -32.037
183 HB1 ALA 24 3HB ALA 24 6.364 -20.688 -34.039
184 HB2 ALA 24 1HB ALA 24 6.359 -22.428 -34.313
185 HB3 ALA 24 2HB ALA 24 7.667 -21.437 -34.963
186 H GLN 25 H GLN 25 10.049 -21.885 -33.910
187 HA GLN 25 HA GLN 25 10.522 -24.684 -33.159
188 HB2 GLN 25 2HB GLN 25 10.308 -24.404 -35.579
189 HB3 GLN 25 1HB GLN 25 11.513 -23.124 -35.548
190 HG2 GLN 25 2HG GLN 25 12.561 -25.094 -36.371
191 HG3 GLN 25 1HG GLN 25 13.159 -24.820 -34.736
192 HE21 GLN 25 1HE2 GLN 25 11.126 -26.804 -36.743
193 HE22 GLN 25 2HE2 GLN 25 11.012 -28.145 -35.643
Start of MODEL 9
1 H1 GLU 1 1HT GLU 1 14.816 1.173 -20.674
2 H2 GLU 1 2HT GLU 1 15.629 2.662 -20.741
3 H3 GLU 1 3HT GLU 1 16.511 1.212 -20.707
4 HA GLU 1 HA GLU 1 15.588 0.585 -22.846
5 HB2 GLU 1 2HB GLU 1 14.350 2.178 -24.154
6 HB3 GLU 1 1HB GLU 1 13.507 1.823 -22.656
7 HG2 GLU 1 2HG GLU 1 14.163 3.927 -21.726
8 HG3 GLU 1 1HG GLU 1 15.179 4.276 -23.131
9 H PHE 2 H PHE 2 17.069 0.661 -24.343
10 HA PHE 2 HA PHE 2 19.358 2.336 -23.928
11 HB2 PHE 2 2HB PHE 2 19.485 -0.064 -24.570
12 HB3 PHE 2 1HB PHE 2 18.779 0.344 -26.127
13 HD1 PHE 2 2HD PHE 2 21.724 0.959 -23.968
14 HD2 PHE 2 1HD PHE 2 20.110 1.029 -27.902
15 HE1 PHE 2 2HE PHE 2 23.978 1.373 -24.886
16 HE2 PHE 2 1HE PHE 2 22.351 1.432 -28.825
17 HZ PHE 2 HZ PHE 2 24.284 1.606 -27.321
18 H CYS 3 H CYS 3 16.632 2.278 -26.151
19 HA CYS 3 HA CYS 3 17.899 4.134 -27.924
20 HB2 CYS 3 2HB CYS 3 16.468 2.520 -28.927
21 HB3 CYS 3 1HB CYS 3 15.128 2.992 -27.891
22 H LEU 4 H LEU 4 16.219 4.435 -25.042
23 HA LEU 4 HA LEU 4 15.118 6.101 -23.954
24 HB2 LEU 4 2HB LEU 4 16.666 7.868 -25.862
25 HB3 LEU 4 1HB LEU 4 15.852 8.409 -24.405
26 HG LEU 4 HG LEU 4 18.183 6.496 -24.496
27 HD11 LEU 4 1HD1 LEU 4 19.432 8.322 -23.448
28 HD12 LEU 4 2HD1 LEU 4 18.031 9.377 -23.623
29 HD13 LEU 4 3HD1 LEU 4 18.855 8.764 -25.056
30 HD21 LEU 4 3HD2 LEU 4 16.751 7.737 -22.161
31 HD22 LEU 4 1HD2 LEU 4 18.193 6.726 -22.078
32 HD23 LEU 4 2HD2 LEU 4 16.668 6.043 -22.642
33 H ASN 5 H ASN 5 13.645 4.849 -25.847
34 HA ASN 5 HA ASN 5 11.434 6.313 -26.336
35 HB2 ASN 5 2HB ASN 5 12.881 7.754 -27.815
36 HB3 ASN 5 1HB ASN 5 13.105 6.349 -28.858
37 HD21 ASN 5 1HD2 ASN 5 11.135 5.365 -29.756
38 HD22 ASN 5 2HD2 ASN 5 9.803 6.398 -30.131
39 H CYS 6 H CYS 6 13.648 3.920 -27.756
40 HA CYS 6 HA CYS 6 11.558 2.909 -29.473
41 HB2 CYS 6 2HB CYS 6 14.369 1.897 -29.016
42 HB3 CYS 6 1HB CYS 6 13.265 1.288 -30.243
43 H VAL 7 H VAL 7 12.274 2.525 -26.324
44 HA VAL 7 HA VAL 7 11.294 -0.222 -26.337
45 HB VAL 7 HB VAL 7 13.472 1.037 -24.684
46 HG11 VAL 7 1HG1 VAL 7 11.995 -1.536 -24.062
47 HG12 VAL 7 2HG1 VAL 7 11.952 -0.056 -23.103
48 HG13 VAL 7 3HG1 VAL 7 13.454 -0.970 -23.248
49 HG21 VAL 7 3HG2 VAL 7 14.667 -1.040 -25.333
50 HG22 VAL 7 1HG2 VAL 7 14.187 -0.045 -26.709
51 HG23 VAL 7 2HG2 VAL 7 13.272 -1.501 -26.309
52 H SER 8 H SER 8 11.519 2.738 -24.338
53 HA SER 8 HA SER 8 9.129 1.842 -22.951
54 HB2 SER 8 2HB SER 8 10.935 4.162 -22.296
55 HB3 SER 8 1HB SER 8 9.583 3.600 -21.310
56 HG SER 8 HG SER 8 11.355 1.622 -21.984
57 H HIS 9 H HIS 9 10.237 4.561 -24.928
58 HA HIS 9 HA HIS 9 7.697 5.935 -24.645
59 HB2 HIS 9 2HB HIS 9 10.152 6.557 -26.298
60 HB3 HIS 9 1HB HIS 9 8.690 7.542 -26.333
61 HD1 HIS 9 1HD HIS 9 10.259 9.499 -25.401
62 HD2 HIS 9 2HD HIS 9 9.590 6.314 -22.806
63 HE1 HIS 9 1HE HIS 9 10.943 10.317 -23.125
64 HE2 HIS 9 2HE HIS 9 10.462 8.403 -21.559
65 H THR 10 H THR 10 6.818 3.747 -25.454
66 HA THR 10 HA THR 10 6.018 4.143 -28.231
67 HB THR 10 HB THR 10 7.709 2.595 -28.673
68 HG1 THR 10 1HG THR 10 6.472 1.159 -29.619
69 HG21 THR 10 3HG2 THR 10 8.338 2.064 -26.391
70 HG22 THR 10 1HG2 THR 10 8.149 0.586 -27.329
71 HG23 THR 10 2HG2 THR 10 6.887 1.081 -26.199
72 H ALA 11 H ALA 11 5.652 2.331 -25.233
73 HA ALA 11 HA ALA 11 3.879 1.532 -24.099
74 HB1 ALA 11 3HB ALA 11 1.660 2.412 -24.450
75 HB2 ALA 11 1HB ALA 11 2.132 3.080 -26.015
76 HB3 ALA 11 2HB ALA 11 2.830 3.727 -24.530
77 H SER 12 H SER 12 4.363 0.905 -27.367
78 HA SER 12 HA SER 12 2.473 -1.333 -27.365
79 HB2 SER 12 2HB SER 12 2.546 0.168 -29.349
80 HB3 SER 12 1HB SER 12 4.228 -0.286 -29.605
81 HG SER 12 HG SER 12 1.948 -1.617 -30.285
82 H TYR 13 H TYR 13 5.866 -0.679 -28.190
83 HA TYR 13 HA TYR 13 6.690 -3.323 -28.493
84 HB2 TYR 13 2HB TYR 13 7.940 -1.398 -29.323
85 HB3 TYR 13 1HB TYR 13 8.292 -0.890 -27.681
86 HD1 TYR 13 2HD TYR 13 9.024 -3.443 -30.269
87 HD2 TYR 13 1HD TYR 13 10.075 -1.872 -26.454
88 HE1 TYR 13 2HE TYR 13 11.079 -4.791 -30.284
89 HE2 TYR 13 1HE TYR 13 12.130 -3.218 -26.459
90 HH TYR 13 HH TYR 13 13.274 -4.838 -29.259
91 H LEU 14 H LEU 14 6.787 -1.246 -25.631
92 HA LEU 14 HA LEU 14 8.086 -3.233 -24.025
93 HB2 LEU 14 2HB LEU 14 8.365 -0.820 -23.645
94 HB3 LEU 14 1HB LEU 14 6.670 -0.695 -23.211
95 HG LEU 14 HG LEU 14 7.089 -2.180 -21.272
96 HD11 LEU 14 1HD1 LEU 14 9.966 -1.952 -22.142
97 HD12 LEU 14 2HD1 LEU 14 8.989 -3.419 -22.122
98 HD13 LEU 14 3HD1 LEU 14 9.416 -2.624 -20.606
99 HD21 LEU 14 3HD2 LEU 14 8.856 0.255 -21.426
100 HD22 LEU 14 1HD2 LEU 14 8.289 -0.519 -19.945
101 HD23 LEU 14 2HD2 LEU 14 7.136 0.249 -21.035
102 H ARG 15 H ARG 15 4.794 -2.493 -24.808
103 HA ARG 15 HA ARG 15 3.751 -3.810 -22.450
104 HB2 ARG 15 2HB ARG 15 2.559 -1.869 -23.274
105 HB3 ARG 15 1HB ARG 15 2.374 -2.610 -24.859
106 HG2 ARG 15 2HG ARG 15 0.736 -4.052 -24.139
107 HG3 ARG 15 1HG ARG 15 1.253 -3.969 -22.451
108 HD2 ARG 15 2HD ARG 15 -0.870 -2.791 -22.840
109 HD3 ARG 15 1HD ARG 15 0.402 -1.716 -22.265
110 HE ARG 15 HE ARG 15 0.615 -1.325 -24.873
111 HH11 ARG 15 1HH1 ARG 15 -2.264 -1.605 -22.906
112 HH12 ARG 15 2HH1 ARG 15 -3.200 -0.505 -23.889
113 HH21 ARG 15 1HH2 ARG 15 -0.581 0.154 -26.151
114 HH22 ARG 15 2HH2 ARG 15 -2.233 0.520 -25.711
115 H LEU 16 H LEU 16 4.102 -4.465 -25.907
116 HA LEU 16 HA LEU 16 2.891 -7.081 -25.636
117 HB2 LEU 16 2HB LEU 16 4.428 -5.859 -27.939
118 HB3 LEU 16 1HB LEU 16 3.598 -7.401 -27.992
119 HG LEU 16 HG LEU 16 2.278 -4.716 -27.602
120 HD11 LEU 16 1HD1 LEU 16 3.155 -4.984 -29.846
121 HD12 LEU 16 2HD1 LEU 16 1.395 -5.073 -29.848
122 HD13 LEU 16 3HD1 LEU 16 2.351 -6.548 -29.994
123 HD21 LEU 16 3HD2 LEU 16 1.053 -6.472 -26.470
124 HD22 LEU 16 1HD2 LEU 16 1.103 -7.473 -27.921
125 HD23 LEU 16 2HD2 LEU 16 0.185 -5.969 -27.921
126 H TRP 17 H TRP 17 6.081 -6.002 -26.759
127 HA TRP 17 HA TRP 17 8.193 -6.649 -26.320
128 HB2 TRP 17 2HB TRP 17 7.304 -6.738 -23.920
129 HB3 TRP 17 1HB TRP 17 7.200 -8.479 -24.146
130 HD1 TRP 17 HD TRP 17 9.389 -9.845 -23.807
131 HE1 TRP 17 1HE TRP 17 11.836 -9.229 -23.273
132 HE3 TRP 17 3HE TRP 17 9.095 -4.781 -24.435
133 HZ2 TRP 17 2HZ TRP 17 13.420 -6.892 -23.138
134 HZ3 TRP 17 3HZ TRP 17 11.115 -3.427 -24.085
135 HH2 TRP 17 HH TRP 17 13.234 -4.458 -23.449
136 H ALA 18 H ALA 18 5.887 -9.333 -26.190
137 HA ALA 18 HA ALA 18 7.767 -11.047 -27.608
138 HB1 ALA 18 3HB ALA 18 6.013 -12.764 -27.414
139 HB2 ALA 18 1HB ALA 18 4.949 -11.574 -26.663
140 HB3 ALA 18 2HB ALA 18 6.430 -12.073 -25.846
141 H LEU 19 H LEU 19 7.458 -11.764 -29.705
142 HA LEU 19 HA LEU 19 6.926 -11.544 -31.908
143 HB2 LEU 19 2HB LEU 19 4.214 -10.822 -30.787
144 HB3 LEU 19 1HB LEU 19 4.539 -11.191 -32.470
145 HG LEU 19 HG LEU 19 4.889 -13.115 -30.166
146 HD11 LEU 19 1HD1 LEU 19 2.550 -12.639 -30.611
147 HD12 LEU 19 2HD1 LEU 19 2.961 -14.265 -31.153
148 HD13 LEU 19 3HD1 LEU 19 2.793 -12.964 -32.328
149 HD21 LEU 19 3HD2 LEU 19 6.479 -13.500 -31.999
150 HD22 LEU 19 1HD2 LEU 19 5.141 -13.546 -33.146
151 HD23 LEU 19 2HD2 LEU 19 5.278 -14.786 -31.900
152 H SER 20 H SER 20 7.800 -9.177 -30.280
153 HA SER 20 HA SER 20 6.611 -6.920 -31.646
154 HB2 SER 20 2HB SER 20 8.893 -7.074 -29.658
155 HB3 SER 20 1HB SER 20 8.189 -5.578 -30.265
156 HG SER 20 HG SER 20 6.411 -7.428 -29.209
157 H LEU 21 H LEU 21 9.029 -9.163 -32.201
158 HA LEU 21 HA LEU 21 10.379 -9.507 -33.990
159 HB2 LEU 21 2HB LEU 21 9.385 -6.823 -34.947
160 HB3 LEU 21 1HB LEU 21 10.359 -7.932 -35.894
161 HG LEU 21 HG LEU 21 7.566 -8.488 -34.882
162 HD11 LEU 21 1HD1 LEU 21 6.925 -8.295 -37.234
163 HD12 LEU 21 2HD1 LEU 21 8.575 -7.820 -37.641
164 HD13 LEU 21 3HD1 LEU 21 7.588 -6.786 -36.609
165 HD21 LEU 21 3HD2 LEU 21 8.899 -10.524 -35.074
166 HD22 LEU 21 1HD2 LEU 21 9.354 -10.077 -36.721
167 HD23 LEU 21 2HD2 LEU 21 7.676 -10.453 -36.341
168 H ALA 22 H ALA 22 12.476 -8.919 -34.801
169 HA ALA 22 HA ALA 22 13.888 -7.068 -33.017
170 HB1 ALA 22 3HB ALA 22 15.014 -9.078 -34.974
171 HB2 ALA 22 1HB ALA 22 14.787 -9.352 -33.246
172 HB3 ALA 22 2HB ALA 22 15.931 -8.132 -33.802
173 H HIS 23 H HIS 23 12.318 -6.915 -35.833
174 HA HIS 23 HA HIS 23 13.775 -4.563 -36.663
175 HB2 HIS 23 2HB HIS 23 13.899 -5.224 -39.021
176 HB3 HIS 23 1HB HIS 23 14.823 -6.333 -38.017
177 HD1 HIS 23 1HD HIS 23 12.375 -6.303 -40.674
178 HD2 HIS 23 2HD HIS 23 13.249 -8.798 -37.446
179 HE1 HIS 23 1HE HIS 23 11.220 -8.487 -41.156
180 HE2 HIS 23 2HE HIS 23 11.946 -10.044 -39.305
181 H ALA 24 H ALA 24 12.438 -3.000 -37.318
182 HA ALA 24 HA ALA 24 9.616 -3.384 -37.177
183 HB1 ALA 24 3HB ALA 24 10.735 -1.277 -36.551
184 HB2 ALA 24 1HB ALA 24 9.461 -1.041 -37.751
185 HB3 ALA 24 2HB ALA 24 11.153 -1.025 -38.245
186 H GLN 25 H GLN 25 11.835 -2.565 -39.833
187 HA GLN 25 HA GLN 25 10.012 -3.962 -41.664
188 HB2 GLN 25 2HB GLN 25 9.781 -1.547 -41.952
189 HB3 GLN 25 1HB GLN 25 11.523 -1.394 -42.139
190 HG2 GLN 25 2HG GLN 25 11.407 -2.713 -44.198
191 HG3 GLN 25 1HG GLN 25 9.663 -2.864 -44.001
192 HE21 GLN 25 1HE2 GLN 25 12.288 -0.718 -44.773
193 HE22 GLN 25 2HE2 GLN 25 11.317 0.538 -45.460
Start of MODEL 10
1 H1 GLU 1 1HT GLU 1 13.637 2.709 -19.047
2 H2 GLU 1 2HT GLU 1 12.057 3.317 -19.034
3 H3 GLU 1 3HT GLU 1 13.364 4.372 -18.842
4 HA GLU 1 HA GLU 1 12.720 2.816 -21.276
5 HB2 GLU 1 2HB GLU 1 12.418 5.126 -22.264
6 HB3 GLU 1 1HB GLU 1 11.166 4.589 -21.158
7 HG2 GLU 1 2HG GLU 1 13.429 6.406 -20.366
8 HG3 GLU 1 1HG GLU 1 11.856 6.974 -20.922
9 H PHE 2 H PHE 2 14.393 2.320 -22.425
10 HA PHE 2 HA PHE 2 17.018 3.184 -21.939
11 HB2 PHE 2 2HB PHE 2 16.480 1.046 -23.031
12 HB3 PHE 2 1HB PHE 2 15.845 1.910 -24.425
13 HD1 PHE 2 1HD PHE 2 18.918 1.134 -22.530
14 HD2 PHE 2 2HD PHE 2 17.274 2.731 -26.122
15 HE1 PHE 2 1HE PHE 2 21.149 1.111 -23.555
16 HE2 PHE 2 2HE PHE 2 19.510 2.713 -27.152
17 HZ PHE 2 HZ PHE 2 21.453 1.933 -25.859
18 H CYS 3 H CYS 3 14.875 3.964 -24.707
19 HA CYS 3 HA CYS 3 16.677 6.061 -25.522
20 HB2 CYS 3 2HB CYS 3 13.953 5.633 -26.698
21 HB3 CYS 3 1HB CYS 3 15.401 6.260 -27.479
22 H LEU 4 H LEU 4 14.911 6.124 -22.984
23 HA LEU 4 HA LEU 4 13.499 7.501 -21.843
24 HB2 LEU 4 2HB LEU 4 14.742 9.552 -23.678
25 HB3 LEU 4 1HB LEU 4 13.834 9.921 -22.225
26 HG LEU 4 HG LEU 4 16.456 8.438 -22.342
27 HD11 LEU 4 1HD1 LEU 4 17.351 10.416 -21.224
28 HD12 LEU 4 2HD1 LEU 4 15.776 11.199 -21.351
29 HD13 LEU 4 3HD1 LEU 4 16.686 10.812 -22.812
30 HD21 LEU 4 3HD2 LEU 4 15.071 7.618 -20.531
31 HD22 LEU 4 1HD2 LEU 4 14.778 9.266 -19.980
32 HD23 LEU 4 2HD2 LEU 4 16.402 8.583 -19.898
33 H ASN 5 H ASN 5 12.314 6.153 -24.017
34 HA ASN 5 HA ASN 5 9.925 7.457 -24.521
35 HB2 ASN 5 2HB ASN 5 11.231 9.060 -25.856
36 HB3 ASN 5 1HB ASN 5 11.885 7.734 -26.814
37 HD21 ASN 5 1HD2 ASN 5 10.451 6.549 -28.174
38 HD22 ASN 5 2HD2 ASN 5 9.009 7.297 -28.780
39 H CYS 6 H CYS 6 12.202 5.686 -26.625
40 HA CYS 6 HA CYS 6 10.334 4.163 -27.985
41 HB2 CYS 6 2HB CYS 6 12.140 2.854 -28.786
42 HB3 CYS 6 1HB CYS 6 12.806 4.459 -28.508
43 H VAL 7 H VAL 7 11.347 3.786 -24.776
44 HA VAL 7 HA VAL 7 10.598 0.976 -24.729
45 HB VAL 7 HB VAL 7 12.218 2.683 -22.855
46 HG11 VAL 7 1HG1 VAL 7 11.263 -0.149 -22.383
47 HG12 VAL 7 2HG1 VAL 7 10.800 1.273 -21.451
48 HG13 VAL 7 3HG1 VAL 7 12.466 0.700 -21.411
49 HG21 VAL 7 3HG2 VAL 7 13.399 1.782 -24.764
50 HG22 VAL 7 1HG2 VAL 7 12.817 0.159 -24.396
51 HG23 VAL 7 2HG2 VAL 7 13.929 0.968 -23.293
52 H SER 8 H SER 8 9.945 4.044 -23.088
53 HA SER 8 HA SER 8 7.721 2.854 -21.679
54 HB2 SER 8 2HB SER 8 8.837 5.656 -21.537
55 HB3 SER 8 1HB SER 8 7.554 5.018 -20.505
56 HG SER 8 HG SER 8 9.718 4.964 -19.585
57 H HIS 9 H HIS 9 8.139 5.872 -23.522
58 HA HIS 9 HA HIS 9 5.377 5.999 -24.267
59 HB2 HIS 9 2HB HIS 9 6.787 8.019 -23.994
60 HB3 HIS 9 1HB HIS 9 7.760 7.512 -25.372
61 HD1 HIS 9 1HD HIS 9 7.235 9.021 -27.228
62 HD2 HIS 9 2HD HIS 9 3.816 7.934 -25.130
63 HE1 HIS 9 1HE HIS 9 5.321 10.114 -28.436
64 HE2 HIS 9 2HE HIS 9 3.283 9.582 -27.052
65 H THR 10 H THR 10 4.915 4.100 -25.301
66 HA THR 10 HA THR 10 5.483 3.920 -28.086
67 HB THR 10 HB THR 10 7.588 2.973 -27.492
68 HG1 THR 10 1HG THR 10 7.022 1.615 -29.028
69 HG21 THR 10 3HG2 THR 10 6.139 1.154 -25.558
70 HG22 THR 10 1HG2 THR 10 7.194 2.505 -25.132
71 HG23 THR 10 2HG2 THR 10 7.860 1.086 -25.937
72 H ALA 11 H ALA 11 4.515 2.120 -25.187
73 HA ALA 11 HA ALA 11 2.782 0.722 -24.727
74 HB1 ALA 11 3HB ALA 11 0.623 1.209 -25.750
75 HB2 ALA 11 1HB ALA 11 1.419 2.222 -26.956
76 HB3 ALA 11 2HB ALA 11 1.448 2.689 -25.254
77 H SER 12 H SER 12 4.760 0.048 -26.894
78 HA SER 12 HA SER 12 3.283 -2.281 -27.861
79 HB2 SER 12 2HB SER 12 3.464 -0.413 -29.616
80 HB3 SER 12 1HB SER 12 5.189 -0.772 -29.646
81 HG SER 12 HG SER 12 4.468 -2.113 -31.151
82 H TYR 13 H TYR 13 6.464 -0.716 -27.770
83 HA TYR 13 HA TYR 13 8.001 -2.979 -28.267
84 HB2 TYR 13 2HB TYR 13 8.830 -0.689 -28.476
85 HB3 TYR 13 1HB TYR 13 8.743 -0.488 -26.729
86 HD1 TYR 13 2HD TYR 13 10.479 -2.321 -29.440
87 HD2 TYR 13 1HD TYR 13 10.501 -1.234 -25.331
88 HE1 TYR 13 2HE TYR 13 12.770 -3.173 -29.239
89 HE2 TYR 13 1HE TYR 13 12.803 -2.082 -25.119
90 HH TYR 13 HH TYR 13 14.267 -3.789 -26.322
91 H LEU 14 H LEU 14 7.731 -1.388 -25.062
92 HA LEU 14 HA LEU 14 8.726 -3.795 -23.800
93 HB2 LEU 14 2HB LEU 14 9.453 -1.558 -23.057
94 HB3 LEU 14 1HB LEU 14 7.809 -1.192 -22.568
95 HG LEU 14 HG LEU 14 7.956 -3.088 -20.927
96 HD11 LEU 14 1HD1 LEU 14 10.208 -3.904 -20.356
97 HD12 LEU 14 2HD1 LEU 14 10.853 -3.049 -21.760
98 HD13 LEU 14 3HD1 LEU 14 9.707 -4.372 -21.980
99 HD21 LEU 14 3HD2 LEU 14 9.958 -0.848 -20.671
100 HD22 LEU 14 1HD2 LEU 14 9.379 -1.850 -19.340
101 HD23 LEU 14 2HD2 LEU 14 8.257 -0.799 -20.204
102 H ARG 15 H ARG 15 5.685 -2.474 -24.561
103 HA ARG 15 HA ARG 15 4.338 -4.510 -22.976
104 HB2 ARG 15 2HB ARG 15 4.294 -2.664 -21.450
105 HB3 ARG 15 1HB ARG 15 3.827 -1.543 -22.717
106 HG2 ARG 15 2HG ARG 15 1.960 -2.031 -21.253
107 HG3 ARG 15 1HG ARG 15 1.643 -2.626 -22.881
108 HD2 ARG 15 2HD ARG 15 2.229 -4.886 -22.181
109 HD3 ARG 15 1HD ARG 15 2.608 -4.296 -20.564
110 HE ARG 15 HE ARG 15 -0.009 -3.530 -21.098
111 HH11 ARG 15 1HH1 ARG 15 1.789 -6.526 -20.793
112 HH12 ARG 15 2HH1 ARG 15 0.439 -7.410 -20.147
113 HH21 ARG 15 1HH2 ARG 15 -1.770 -4.682 -20.218
114 HH22 ARG 15 2HH2 ARG 15 -1.605 -6.381 -19.866
115 H LEU 16 H LEU 16 3.498 -5.578 -24.680
116 HA LEU 16 HA LEU 16 2.502 -4.332 -27.017
117 HB2 LEU 16 2HB LEU 16 2.057 -7.098 -25.880
118 HB3 LEU 16 1HB LEU 16 1.478 -6.595 -27.454
119 HG LEU 16 HG LEU 16 4.399 -6.653 -26.663
120 HD11 LEU 16 1HD1 LEU 16 2.815 -8.632 -28.302
121 HD12 LEU 16 2HD1 LEU 16 3.453 -8.908 -26.681
122 HD13 LEU 16 3HD1 LEU 16 4.558 -8.661 -28.034
123 HD21 LEU 16 3HD2 LEU 16 4.795 -6.433 -29.061
124 HD22 LEU 16 1HD2 LEU 16 3.863 -5.066 -28.450
125 HD23 LEU 16 2HD2 LEU 16 3.059 -6.351 -29.348
126 H TRP 17 H TRP 17 0.894 -2.884 -26.783
127 HA TRP 17 HA TRP 17 -1.665 -3.841 -25.749
128 HB2 TRP 17 2HB TRP 17 -0.566 -2.701 -23.849
129 HB3 TRP 17 1HB TRP 17 -0.378 -1.259 -24.837
130 HD1 TRP 17 HD TRP 17 -3.318 -3.462 -23.547
131 HE1 TRP 17 1HE TRP 17 -5.307 -1.901 -23.034
132 HE3 TRP 17 3HE TRP 17 -1.232 0.988 -24.981
133 HZ2 TRP 17 2HZ TRP 17 -5.894 0.864 -23.218
134 HZ3 TRP 17 3HZ TRP 17 -2.574 3.045 -24.774
135 HH2 TRP 17 HH TRP 17 -4.854 2.977 -23.910
136 H ALA 18 H ALA 18 0.185 -1.661 -27.717
137 HA ALA 18 HA ALA 18 -1.956 0.018 -28.555
138 HB1 ALA 18 3HB ALA 18 0.400 0.730 -28.615
139 HB2 ALA 18 1HB ALA 18 -0.389 0.904 -30.183
140 HB3 ALA 18 2HB ALA 18 0.709 -0.444 -29.891
141 H LEU 19 H LEU 19 -0.138 -2.516 -30.252
142 HA LEU 19 HA LEU 19 -2.298 -2.727 -32.212
143 HB2 LEU 19 2HB LEU 19 0.492 -3.873 -32.145
144 HB3 LEU 19 1HB LEU 19 -0.677 -4.223 -33.405
145 HG LEU 19 HG LEU 19 0.448 -1.494 -32.770
146 HD11 LEU 19 1HD1 LEU 19 2.115 -2.942 -33.782
147 HD12 LEU 19 2HD1 LEU 19 1.577 -1.722 -34.937
148 HD13 LEU 19 3HD1 LEU 19 0.981 -3.376 -35.064
149 HD21 LEU 19 3HD2 LEU 19 -1.409 -2.402 -34.970
150 HD22 LEU 19 1HD2 LEU 19 -0.679 -0.799 -34.842
151 HD23 LEU 19 2HD2 LEU 19 -1.826 -1.349 -33.619
152 H SER 20 H SER 20 -2.441 -3.695 -29.418
153 HA SER 20 HA SER 20 -2.683 -6.578 -29.886
154 HB2 SER 20 2HB SER 20 -2.455 -5.046 -27.293
155 HB3 SER 20 1HB SER 20 -2.604 -6.801 -27.427
156 HG SER 20 HG SER 20 -0.647 -5.911 -29.035
157 H LEU 21 H LEU 21 -4.591 -7.663 -29.100
158 HA LEU 21 HA LEU 21 -6.923 -5.931 -29.376
159 HB2 LEU 21 2HB LEU 21 -6.693 -8.938 -29.466
160 HB3 LEU 21 1HB LEU 21 -8.177 -8.036 -29.703
161 HG LEU 21 HG LEU 21 -5.745 -7.865 -31.486
162 HD11 LEU 21 1HD1 LEU 21 -7.131 -9.055 -33.128
163 HD12 LEU 21 2HD1 LEU 21 -8.391 -9.254 -31.908
164 HD13 LEU 21 3HD1 LEU 21 -6.822 -10.030 -31.695
165 HD21 LEU 21 3HD2 LEU 21 -7.190 -6.587 -32.973
166 HD22 LEU 21 1HD2 LEU 21 -7.032 -5.794 -31.406
167 HD23 LEU 21 2HD2 LEU 21 -8.501 -6.683 -31.799
168 H ALA 22 H ALA 22 -6.738 -8.979 -27.574
169 HA ALA 22 HA ALA 22 -7.527 -7.478 -25.167
170 HB1 ALA 22 3HB ALA 22 -8.676 -10.120 -26.067
171 HB2 ALA 22 1HB ALA 22 -9.500 -8.562 -26.117
172 HB3 ALA 22 2HB ALA 22 -9.068 -9.282 -24.566
173 H HIS 23 H HIS 23 -6.107 -10.435 -26.466
174 HA HIS 23 HA HIS 23 -4.264 -10.472 -24.240
175 HB2 HIS 23 2HB HIS 23 -4.656 -12.792 -23.640
176 HB3 HIS 23 1HB HIS 23 -6.146 -11.880 -23.466
177 HD1 HIS 23 1HD HIS 23 -5.031 -15.022 -24.622
178 HD2 HIS 23 2HD HIS 23 -7.755 -12.213 -26.051
179 HE1 HIS 23 1HE HIS 23 -6.569 -16.287 -26.162
180 HE2 HIS 23 2HE HIS 23 -8.308 -14.605 -26.886
181 H ALA 24 H ALA 24 -2.400 -11.697 -24.620
182 HA ALA 24 HA ALA 24 -1.845 -12.013 -27.478
183 HB1 ALA 24 3HB ALA 24 0.047 -11.807 -25.133
184 HB2 ALA 24 1HB ALA 24 -0.362 -10.512 -26.255
185 HB3 ALA 24 2HB ALA 24 0.520 -11.925 -26.826
186 H GLN 25 H GLN 25 -1.858 -13.687 -24.420
187 HA GLN 25 HA GLN 25 -1.131 -16.201 -25.744
188 HB2 GLN 25 2HB GLN 25 0.048 -15.676 -23.656
189 HB3 GLN 25 1HB GLN 25 -1.489 -15.520 -22.819
190 HG2 GLN 25 2HG GLN 25 -1.938 -17.912 -23.336
191 HG3 GLN 25 1HG GLN 25 -0.314 -18.021 -24.006
192 HE21 GLN 25 1HE2 GLN 25 -0.996 -16.031 -21.255
193 HE22 GLN 25 2HE2 GLN 25 -0.178 -17.011 -20.081
Start of MODEL 11
1 H1 GLU 1 1HT GLU 1 6.726 8.553 -19.155
2 H2 GLU 1 2HT GLU 1 5.173 8.154 -19.702
3 H3 GLU 1 3HT GLU 1 5.466 9.683 -19.023
4 HA GLU 1 HA GLU 1 6.565 8.636 -21.564
5 HB2 GLU 1 2HB GLU 1 4.239 9.268 -21.760
6 HB3 GLU 1 1HB GLU 1 4.539 10.792 -20.937
7 HG2 GLU 1 2HG GLU 1 4.297 11.099 -23.327
8 HG3 GLU 1 1HG GLU 1 5.913 11.542 -22.783
9 H PHE 2 H PHE 2 8.238 9.701 -22.424
10 HA PHE 2 HA PHE 2 9.322 11.964 -20.891
11 HB2 PHE 2 2HB PHE 2 10.573 9.768 -20.769
12 HB3 PHE 2 1HB PHE 2 10.900 9.941 -22.488
13 HD1 PHE 2 2HD PHE 2 11.397 11.642 -19.218
14 HD2 PHE 2 1HD PHE 2 12.697 11.167 -23.239
15 HE1 PHE 2 2HE PHE 2 13.390 13.006 -18.733
16 HE2 PHE 2 1HE PHE 2 14.689 12.524 -22.763
17 HZ PHE 2 HZ PHE 2 15.034 13.449 -20.511
18 H CYS 3 H CYS 3 8.631 10.650 -24.086
19 HA CYS 3 HA CYS 3 9.804 13.074 -25.270
20 HB2 CYS 3 2HB CYS 3 9.216 10.563 -26.797
21 HB3 CYS 3 1HB CYS 3 10.306 11.875 -27.228
22 H LEU 4 H LEU 4 6.959 12.197 -24.284
23 HA LEU 4 HA LEU 4 4.783 12.567 -24.832
24 HB2 LEU 4 2HB LEU 4 5.958 14.367 -26.957
25 HB3 LEU 4 1HB LEU 4 4.281 14.359 -26.446
26 HG LEU 4 HG LEU 4 6.631 15.101 -24.698
27 HD11 LEU 4 1HD1 LEU 4 4.523 16.818 -25.990
28 HD12 LEU 4 2HD1 LEU 4 6.225 16.747 -26.441
29 HD13 LEU 4 3HD1 LEU 4 5.755 17.376 -24.860
30 HD21 LEU 4 3HD2 LEU 4 4.914 15.844 -23.112
31 HD22 LEU 4 1HD2 LEU 4 4.806 14.112 -23.422
32 HD23 LEU 4 2HD2 LEU 4 3.660 15.216 -24.182
33 H ASN 5 H ASN 5 6.217 10.346 -26.018
34 HA ASN 5 HA ASN 5 4.422 9.311 -27.826
35 HB2 ASN 5 2HB ASN 5 5.170 11.096 -29.378
36 HB3 ASN 5 1HB ASN 5 6.814 10.462 -29.285
37 HD21 ASN 5 1HD2 ASN 5 7.249 8.373 -30.133
38 HD22 ASN 5 2HD2 ASN 5 6.222 7.707 -31.369
39 H CYS 6 H CYS 6 7.928 9.546 -27.333
40 HA CYS 6 HA CYS 6 8.530 7.026 -28.431
41 HB2 CYS 6 2HB CYS 6 10.739 7.377 -27.758
42 HB3 CYS 6 1HB CYS 6 10.121 9.017 -27.927
43 H VAL 7 H VAL 7 7.194 7.877 -25.415
44 HA VAL 7 HA VAL 7 7.971 5.279 -24.335
45 HB VAL 7 HB VAL 7 7.281 7.871 -22.956
46 HG11 VAL 7 1HG1 VAL 7 6.060 6.053 -21.817
47 HG12 VAL 7 2HG1 VAL 7 7.369 6.677 -20.812
48 HG13 VAL 7 3HG1 VAL 7 7.561 5.142 -21.662
49 HG21 VAL 7 3HG2 VAL 7 9.665 6.019 -22.787
50 HG22 VAL 7 1HG2 VAL 7 9.447 7.510 -21.868
51 HG23 VAL 7 2HG2 VAL 7 9.600 7.572 -23.622
52 H SER 8 H SER 8 5.200 7.547 -24.356
53 HA SER 8 HA SER 8 3.456 5.485 -23.419
54 HB2 SER 8 2HB SER 8 3.212 7.886 -22.762
55 HB3 SER 8 1HB SER 8 2.699 8.234 -24.413
56 HG SER 8 HG SER 8 0.803 7.371 -24.027
57 H HIS 9 H HIS 9 3.827 7.255 -26.491
58 HA HIS 9 HA HIS 9 1.677 5.807 -27.741
59 HB2 HIS 9 2HB HIS 9 3.828 7.543 -28.977
60 HB3 HIS 9 1HB HIS 9 2.457 6.866 -29.847
61 HD1 HIS 9 1HD HIS 9 2.883 9.896 -29.712
62 HD2 HIS 9 2HD HIS 9 0.490 7.754 -27.078
63 HE1 HIS 9 1HE HIS 9 1.236 11.559 -28.786
64 HE2 HIS 9 2HE HIS 9 -0.033 10.286 -27.016
65 H THR 10 H THR 10 4.805 5.065 -26.944
66 HA THR 10 HA THR 10 4.947 2.960 -28.995
67 HB THR 10 HB THR 10 7.350 4.019 -27.541
68 HG1 THR 10 1HG THR 10 6.244 5.769 -28.663
69 HG21 THR 10 3HG2 THR 10 7.011 2.715 -30.249
70 HG22 THR 10 1HG2 THR 10 7.571 1.908 -28.782
71 HG23 THR 10 2HG2 THR 10 8.542 3.186 -29.509
72 H ALA 11 H ALA 11 3.757 3.151 -26.214
73 HA ALA 11 HA ALA 11 5.220 1.487 -24.461
74 HB1 ALA 11 3HB ALA 11 3.302 2.875 -23.770
75 HB2 ALA 11 1HB ALA 11 3.126 1.193 -23.261
76 HB3 ALA 11 2HB ALA 11 2.223 1.796 -24.650
77 H SER 12 H SER 12 3.773 0.843 -27.397
78 HA SER 12 HA SER 12 2.910 -1.790 -27.247
79 HB2 SER 12 2HB SER 12 3.048 -0.027 -29.237
80 HB3 SER 12 1HB SER 12 4.553 -0.875 -29.576
81 HG SER 12 HG SER 12 1.925 -1.764 -29.804
82 H TYR 13 H TYR 13 6.135 -0.434 -27.695
83 HA TYR 13 HA TYR 13 7.496 -2.887 -28.070
84 HB2 TYR 13 2HB TYR 13 8.240 -0.574 -28.764
85 HB3 TYR 13 1HB TYR 13 8.632 -0.264 -27.082
86 HD1 TYR 13 2HD TYR 13 9.444 -2.510 -29.938
87 HD2 TYR 13 1HD TYR 13 10.727 -0.848 -26.237
88 HE1 TYR 13 2HE TYR 13 11.697 -3.431 -30.305
89 HE2 TYR 13 1HE TYR 13 12.977 -1.760 -26.604
90 HH TYR 13 HH TYR 13 14.025 -2.935 -29.591
91 H LEU 14 H LEU 14 6.137 -1.476 -25.334
92 HA LEU 14 HA LEU 14 8.017 -2.826 -23.527
93 HB2 LEU 14 2HB LEU 14 5.862 -0.816 -22.891
94 HB3 LEU 14 1HB LEU 14 7.006 -1.489 -21.745
95 HG LEU 14 HG LEU 14 7.764 0.216 -24.119
96 HD11 LEU 14 1HD1 LEU 14 6.493 1.506 -22.499
97 HD12 LEU 14 2HD1 LEU 14 8.195 1.968 -22.465
98 HD13 LEU 14 3HD1 LEU 14 7.538 0.929 -21.201
99 HD21 LEU 14 3HD2 LEU 14 9.943 0.345 -23.007
100 HD22 LEU 14 1HD2 LEU 14 9.528 -1.313 -23.440
101 HD23 LEU 14 2HD2 LEU 14 9.373 -0.775 -21.768
102 H ARG 15 H ARG 15 4.603 -2.704 -24.420
103 HA ARG 15 HA ARG 15 4.056 -4.718 -22.356
104 HB2 ARG 15 2HB ARG 15 2.198 -2.868 -23.850
105 HB3 ARG 15 1HB ARG 15 1.654 -4.108 -22.723
106 HG2 ARG 15 2HG ARG 15 2.943 -3.047 -20.937
107 HG3 ARG 15 1HG ARG 15 3.472 -1.801 -22.066
108 HD2 ARG 15 2HD ARG 15 1.206 -1.021 -22.336
109 HD3 ARG 15 1HD ARG 15 0.596 -2.342 -21.334
110 HE ARG 15 HE ARG 15 2.310 -1.158 -19.653
111 HH11 ARG 15 1HH1 ARG 15 -0.117 0.217 -21.772
112 HH12 ARG 15 2HH1 ARG 15 -0.444 1.576 -20.725
113 HH21 ARG 15 1HH2 ARG 15 1.870 0.608 -18.259
114 HH22 ARG 15 2HH2 ARG 15 0.655 1.783 -18.709
115 H LEU 16 H LEU 16 3.448 -4.058 -25.785
116 HA LEU 16 HA LEU 16 2.180 -6.570 -26.257
117 HB2 LEU 16 2HB LEU 16 3.306 -4.454 -28.084
118 HB3 LEU 16 1HB LEU 16 2.633 -5.951 -28.702
119 HG LEU 16 HG LEU 16 0.954 -4.264 -28.877
120 HD11 LEU 16 1HD1 LEU 16 0.379 -6.047 -26.520
121 HD12 LEU 16 2HD1 LEU 16 0.138 -6.440 -28.222
122 HD13 LEU 16 3HD1 LEU 16 -0.830 -5.175 -27.464
123 HD21 LEU 16 3HD2 LEU 16 1.860 -2.677 -27.257
124 HD22 LEU 16 1HD2 LEU 16 1.355 -3.729 -25.937
125 HD23 LEU 16 2HD2 LEU 16 0.144 -2.974 -26.973
126 H TRP 17 H TRP 17 5.427 -5.479 -26.116
127 HA TRP 17 HA TRP 17 6.660 -7.485 -27.693
128 HB2 TRP 17 2HB TRP 17 7.767 -5.366 -27.083
129 HB3 TRP 17 1HB TRP 17 7.789 -5.866 -25.398
130 HD1 TRP 17 HD TRP 17 9.307 -6.953 -28.807
131 HE1 TRP 17 1HE TRP 17 11.598 -8.058 -28.339
132 HE3 TRP 17 3HE TRP 17 9.213 -6.883 -23.686
133 HZ2 TRP 17 2HZ TRP 17 13.130 -8.797 -26.095
134 HZ3 TRP 17 3HZ TRP 17 11.137 -7.810 -22.457
135 HH2 TRP 17 HH TRP 17 13.053 -8.749 -23.645
136 H ALA 18 H ALA 18 5.291 -7.489 -24.554
137 HA ALA 18 HA ALA 18 6.874 -9.272 -23.160
138 HB1 ALA 18 3HB ALA 18 5.087 -8.024 -22.099
139 HB2 ALA 18 1HB ALA 18 4.901 -9.748 -21.793
140 HB3 ALA 18 2HB ALA 18 3.881 -8.952 -22.992
141 H LEU 19 H LEU 19 4.342 -9.933 -25.512
142 HA LEU 19 HA LEU 19 5.307 -12.698 -25.629
143 HB2 LEU 19 2HB LEU 19 3.143 -12.499 -24.325
144 HB3 LEU 19 1HB LEU 19 2.382 -11.947 -25.801
145 HG LEU 19 HG LEU 19 2.887 -14.106 -26.871
146 HD11 LEU 19 1HD1 LEU 19 3.736 -15.972 -25.574
147 HD12 LEU 19 2HD1 LEU 19 3.936 -14.934 -24.162
148 HD13 LEU 19 3HD1 LEU 19 4.919 -14.662 -25.602
149 HD21 LEU 19 3HD2 LEU 19 1.296 -15.446 -25.597
150 HD22 LEU 19 1HD2 LEU 19 0.752 -13.776 -25.748
151 HD23 LEU 19 2HD2 LEU 19 1.448 -14.343 -24.228
152 H SER 20 H SER 20 6.085 -10.531 -27.223
153 HA SER 20 HA SER 20 4.552 -10.584 -29.668
154 HB2 SER 20 2HB SER 20 5.707 -8.518 -28.782
155 HB3 SER 20 1HB SER 20 7.241 -9.291 -29.163
156 HG SER 20 HG SER 20 5.848 -7.818 -30.762
157 H LEU 21 H LEU 21 6.449 -10.501 -31.605
158 HA LEU 21 HA LEU 21 7.132 -13.283 -31.878
159 HB2 LEU 21 2HB LEU 21 7.518 -10.913 -33.709
160 HB3 LEU 21 1HB LEU 21 7.962 -12.549 -34.135
161 HG LEU 21 HG LEU 21 5.498 -13.145 -33.721
162 HD11 LEU 21 1HD1 LEU 21 5.254 -10.153 -33.990
163 HD12 LEU 21 2HD1 LEU 21 4.814 -11.120 -32.582
164 HD13 LEU 21 3HD1 LEU 21 3.921 -11.300 -34.094
165 HD21 LEU 21 3HD2 LEU 21 6.511 -13.129 -35.917
166 HD22 LEU 21 1HD2 LEU 21 6.296 -11.379 -36.033
167 HD23 LEU 21 2HD2 LEU 21 4.890 -12.442 -35.986
168 H ALA 22 H ALA 22 9.145 -14.173 -31.930
169 HA ALA 22 HA ALA 22 11.293 -12.487 -30.861
170 HB1 ALA 22 3HB ALA 22 10.976 -15.490 -30.825
171 HB2 ALA 22 1HB ALA 22 10.632 -14.394 -29.488
172 HB3 ALA 22 2HB ALA 22 12.286 -14.578 -30.072
173 H HIS 23 H HIS 23 10.263 -13.404 -33.737
174 HA HIS 23 HA HIS 23 12.933 -13.499 -34.868
175 HB2 HIS 23 2HB HIS 23 12.400 -15.336 -36.382
176 HB3 HIS 23 1HB HIS 23 12.251 -15.856 -34.710
177 HD1 HIS 23 1HD HIS 23 10.520 -16.045 -37.857
178 HD2 HIS 23 2HD HIS 23 9.387 -15.792 -33.856
179 HE1 HIS 23 1HE HIS 23 8.144 -16.849 -37.762
180 HE2 HIS 23 2HE HIS 23 7.411 -16.492 -35.377
181 H ALA 24 H ALA 24 13.155 -12.376 -36.710
182 HA ALA 24 HA ALA 24 10.816 -10.994 -37.765
183 HB1 ALA 24 3HB ALA 24 12.877 -9.727 -37.433
184 HB2 ALA 24 1HB ALA 24 12.440 -9.764 -39.141
185 HB3 ALA 24 2HB ALA 24 13.730 -10.806 -38.536
186 H GLN 25 H GLN 25 12.993 -13.562 -38.536
187 HA GLN 25 HA GLN 25 11.456 -14.142 -40.971
188 HB2 GLN 25 2HB GLN 25 13.770 -13.648 -41.513
189 HB3 GLN 25 1HB GLN 25 14.330 -14.772 -40.279
190 HG2 GLN 25 2HG GLN 25 13.417 -16.641 -41.550
191 HG3 GLN 25 1HG GLN 25 12.770 -15.531 -42.752
192 HE21 GLN 25 1HE2 GLN 25 14.140 -14.487 -44.156
193 HE22 GLN 25 2HE2 GLN 25 15.764 -15.023 -44.444
Start of MODEL 12
1 H1 GLU 1 1HT GLU 1 5.912 6.031 -17.075
2 H2 GLU 1 2HT GLU 1 6.913 7.050 -16.162
3 H3 GLU 1 3HT GLU 1 7.382 5.448 -16.453
4 HA GLU 1 HA GLU 1 7.637 5.875 -18.791
5 HB2 GLU 1 2HB GLU 1 5.867 7.544 -19.025
6 HB3 GLU 1 1HB GLU 1 6.788 8.688 -18.058
7 HG2 GLU 1 2HG GLU 1 6.880 9.120 -20.490
8 HG3 GLU 1 1HG GLU 1 8.458 8.878 -19.746
9 H PHE 2 H PHE 2 9.722 5.794 -19.112
10 HA PHE 2 HA PHE 2 11.496 7.330 -17.343
11 HB2 PHE 2 2HB PHE 2 11.651 4.875 -17.177
12 HB3 PHE 2 1HB PHE 2 12.024 4.784 -18.890
13 HD1 PHE 2 2HD PHE 2 13.256 6.105 -15.672
14 HD2 PHE 2 1HD PHE 2 14.231 4.989 -19.658
15 HE1 PHE 2 2HE PHE 2 15.646 6.341 -15.146
16 HE2 PHE 2 1HE PHE 2 16.627 5.220 -19.143
17 HZ PHE 2 HZ PHE 2 17.348 5.889 -16.944
18 H CYS 3 H CYS 3 10.562 6.800 -20.650
19 HA CYS 3 HA CYS 3 12.988 8.191 -21.574
20 HB2 CYS 3 2HB CYS 3 12.595 5.856 -22.415
21 HB3 CYS 3 1HB CYS 3 11.149 6.451 -23.219
22 H LEU 4 H LEU 4 10.027 8.925 -20.718
23 HA LEU 4 HA LEU 4 8.577 10.625 -21.127
24 HB2 LEU 4 2HB LEU 4 11.004 11.631 -22.584
25 HB3 LEU 4 1HB LEU 4 9.514 12.554 -22.544
26 HG LEU 4 HG LEU 4 9.647 12.539 -20.046
27 HD11 LEU 4 1HD1 LEU 4 12.398 11.410 -20.533
28 HD12 LEU 4 2HD1 LEU 4 11.054 10.585 -19.743
29 HD13 LEU 4 3HD1 LEU 4 11.784 12.002 -18.989
30 HD21 LEU 4 3HD2 LEU 4 11.968 13.768 -21.524
31 HD22 LEU 4 1HD2 LEU 4 11.415 14.237 -19.917
32 HD23 LEU 4 2HD2 LEU 4 10.366 14.474 -21.314
33 H ASN 5 H ASN 5 8.487 8.293 -22.838
34 HA ASN 5 HA ASN 5 6.709 8.803 -24.806
35 HB2 ASN 5 2HB ASN 5 8.273 10.355 -25.883
36 HB3 ASN 5 1HB ASN 5 9.506 9.104 -25.936
37 HD21 ASN 5 1HD2 ASN 5 9.229 7.337 -27.330
38 HD22 ASN 5 2HD2 ASN 5 8.166 7.413 -28.696
39 H CYS 6 H CYS 6 9.832 7.178 -24.403
40 HA CYS 6 HA CYS 6 9.251 5.210 -26.363
41 HB2 CYS 6 2HB CYS 6 11.391 4.991 -24.259
42 HB3 CYS 6 1HB CYS 6 11.386 4.308 -25.880
43 H VAL 7 H VAL 7 8.237 5.509 -23.193
44 HA VAL 7 HA VAL 7 7.864 2.610 -22.975
45 HB VAL 7 HB VAL 7 8.062 4.684 -20.786
46 HG11 VAL 7 1HG1 VAL 7 7.453 1.732 -20.554
47 HG12 VAL 7 2HG1 VAL 7 6.335 3.055 -20.222
48 HG13 VAL 7 3HG1 VAL 7 7.758 2.827 -19.205
49 HG21 VAL 7 3HG2 VAL 7 10.203 3.985 -21.714
50 HG22 VAL 7 1HG2 VAL 7 9.782 2.292 -21.442
51 HG23 VAL 7 2HG2 VAL 7 10.001 3.378 -20.071
52 H SER 8 H SER 8 6.306 5.734 -22.265
53 HA SER 8 HA SER 8 3.788 4.391 -21.890
54 HB2 SER 8 2HB SER 8 4.539 7.291 -21.606
55 HB3 SER 8 1HB SER 8 2.970 6.603 -21.180
56 HG SER 8 HG SER 8 4.580 5.070 -19.947
57 H HIS 9 H HIS 9 5.211 6.701 -24.161
58 HA HIS 9 HA HIS 9 2.718 7.070 -25.568
59 HB2 HIS 9 2HB HIS 9 4.383 8.897 -25.324
60 HB3 HIS 9 1HB HIS 9 5.500 7.982 -26.330
61 HD1 HIS 9 1HD HIS 9 2.572 10.235 -26.465
62 HD2 HIS 9 2HD HIS 9 4.753 7.846 -29.084
63 HE1 HIS 9 1HE HIS 9 1.902 10.965 -28.778
64 HE2 HIS 9 2HE HIS 9 3.382 9.648 -30.337
65 H THR 10 H THR 10 5.663 5.211 -26.003
66 HA THR 10 HA THR 10 4.957 4.340 -28.663
67 HB THR 10 HB THR 10 7.053 3.179 -26.809
68 HG1 THR 10 1HG THR 10 7.346 5.272 -28.732
69 HG21 THR 10 3HG2 THR 10 8.158 2.529 -28.911
70 HG22 THR 10 1HG2 THR 10 6.788 3.165 -29.817
71 HG23 THR 10 2HG2 THR 10 6.570 1.783 -28.744
72 H ALA 11 H ALA 11 5.139 3.009 -25.421
73 HA ALA 11 HA ALA 11 4.047 1.369 -24.319
74 HB1 ALA 11 3HB ALA 11 2.065 2.557 -25.207
75 HB2 ALA 11 1HB ALA 11 1.789 0.839 -24.922
76 HB3 ALA 11 2HB ALA 11 2.042 1.431 -26.564
77 H SER 12 H SER 12 3.628 0.511 -27.725
78 HA SER 12 HA SER 12 3.301 -2.198 -27.465
79 HB2 SER 12 2HB SER 12 3.161 -0.546 -29.489
80 HB3 SER 12 1HB SER 12 4.805 -1.096 -29.795
81 HG SER 12 HG SER 12 2.394 -2.546 -29.845
82 H TYR 13 H TYR 13 6.358 -0.472 -27.878
83 HA TYR 13 HA TYR 13 8.081 -2.592 -28.268
84 HB2 TYR 13 2HB TYR 13 8.775 -0.287 -28.511
85 HB3 TYR 13 1HB TYR 13 8.541 0.002 -26.793
86 HD1 TYR 13 2HD TYR 13 10.637 -1.765 -29.273
87 HD2 TYR 13 1HD TYR 13 10.228 -0.545 -25.219
88 HE1 TYR 13 2HE TYR 13 12.973 -2.401 -28.852
89 HE2 TYR 13 1HE TYR 13 12.558 -1.170 -24.786
90 HH TYR 13 HH TYR 13 14.794 -1.715 -27.172
91 H LEU 14 H LEU 14 6.713 -1.429 -25.239
92 HA LEU 14 HA LEU 14 8.324 -3.392 -23.753
93 HB2 LEU 14 2HB LEU 14 8.441 -1.071 -22.961
94 HB3 LEU 14 1HB LEU 14 6.700 -1.054 -22.744
95 HG LEU 14 HG LEU 14 6.931 -2.823 -21.029
96 HD11 LEU 14 1HD1 LEU 14 8.974 -3.862 -21.786
97 HD12 LEU 14 2HD1 LEU 14 9.160 -3.311 -20.121
98 HD13 LEU 14 3HD1 LEU 14 9.879 -2.389 -21.439
99 HD21 LEU 14 3HD2 LEU 14 7.947 -1.387 -19.290
100 HD22 LEU 14 1HD2 LEU 14 6.792 -0.529 -20.311
101 HD23 LEU 14 2HD2 LEU 14 8.523 -0.311 -20.565
102 H ARG 15 H ARG 15 5.014 -2.279 -24.245
103 HA ARG 15 HA ARG 15 4.026 -4.686 -22.877
104 HB2 ARG 15 2HB ARG 15 2.778 -1.985 -23.341
105 HB3 ARG 15 1HB ARG 15 1.840 -3.377 -22.823
106 HG2 ARG 15 2HG ARG 15 3.093 -3.535 -20.780
107 HG3 ARG 15 1HG ARG 15 4.204 -2.271 -21.318
108 HD2 ARG 15 2HD ARG 15 1.249 -1.779 -21.045
109 HD3 ARG 15 1HD ARG 15 2.351 -1.611 -19.677
110 HE ARG 15 HE ARG 15 3.555 0.071 -21.071
111 HH11 ARG 15 1HH1 ARG 15 0.186 -0.641 -21.741
112 HH12 ARG 15 2HH1 ARG 15 -0.149 0.969 -22.338
113 HH21 ARG 15 1HH2 ARG 15 3.112 2.167 -21.854
114 HH22 ARG 15 2HH2 ARG 15 1.509 2.542 -22.427
115 H LEU 16 H LEU 16 2.876 -6.157 -23.998
116 HA LEU 16 HA LEU 16 3.102 -6.066 -26.841
117 HB2 LEU 16 2HB LEU 16 1.692 -8.059 -25.067
118 HB3 LEU 16 1HB LEU 16 2.043 -8.286 -26.773
119 HG LEU 16 HG LEU 16 4.078 -8.007 -24.561
120 HD11 LEU 16 1HD1 LEU 16 4.625 -10.342 -25.171
121 HD12 LEU 16 2HD1 LEU 16 3.212 -10.361 -26.228
122 HD13 LEU 16 3HD1 LEU 16 3.011 -10.153 -24.487
123 HD21 LEU 16 3HD2 LEU 16 4.471 -8.466 -27.515
124 HD22 LEU 16 1HD2 LEU 16 5.738 -8.481 -26.288
125 HD23 LEU 16 2HD2 LEU 16 4.863 -6.989 -26.632
126 H TRP 17 H TRP 17 1.849 -4.267 -27.422
127 HA TRP 17 HA TRP 17 -0.974 -4.915 -27.756
128 HB2 TRP 17 2HB TRP 17 -0.881 -3.502 -25.744
129 HB3 TRP 17 1HB TRP 17 -0.029 -2.257 -26.651
130 HD1 TRP 17 HD TRP 17 -1.460 -0.693 -28.230
131 HE1 TRP 17 1HE TRP 17 -3.993 -0.346 -28.565
132 HE3 TRP 17 3HE TRP 17 -3.169 -4.805 -25.715
133 HZ2 TRP 17 2HZ TRP 17 -6.392 -1.652 -27.846
134 HZ3 TRP 17 3HZ TRP 17 -5.600 -5.183 -25.588
135 HH2 TRP 17 HH TRP 17 -7.174 -3.637 -26.635
136 H ALA 18 H ALA 18 -0.940 -5.133 -29.875
137 HA ALA 18 HA ALA 18 -0.865 -2.765 -31.487
138 HB1 ALA 18 3HB ALA 18 1.530 -3.314 -31.454
139 HB2 ALA 18 1HB ALA 18 0.835 -3.498 -33.065
140 HB3 ALA 18 2HB ALA 18 1.159 -4.923 -32.075
141 H LEU 19 H LEU 19 -0.329 -6.231 -32.104
142 HA LEU 19 HA LEU 19 -2.744 -6.283 -33.777
143 HB2 LEU 19 2HB LEU 19 -0.544 -8.318 -33.388
144 HB3 LEU 19 1HB LEU 19 -1.901 -8.513 -34.482
145 HG LEU 19 HG LEU 19 0.257 -6.407 -34.713
146 HD11 LEU 19 1HD1 LEU 19 -0.271 -8.865 -36.369
147 HD12 LEU 19 2HD1 LEU 19 1.057 -8.658 -35.224
148 HD13 LEU 19 3HD1 LEU 19 0.971 -7.653 -36.671
149 HD21 LEU 19 3HD2 LEU 19 -0.751 -5.957 -36.911
150 HD22 LEU 19 1HD2 LEU 19 -1.850 -5.586 -35.582
151 HD23 LEU 19 2HD2 LEU 19 -2.066 -7.064 -36.519
152 H SER 20 H SER 20 -2.558 -6.220 -30.786
153 HA SER 20 HA SER 20 -3.301 -8.748 -29.749
154 HB2 SER 20 2HB SER 20 -3.793 -6.019 -28.547
155 HB3 SER 20 1HB SER 20 -3.637 -7.554 -27.686
156 HG SER 20 HG SER 20 -1.630 -6.834 -27.520
157 H LEU 21 H LEU 21 -5.089 -9.666 -30.565
158 HA LEU 21 HA LEU 21 -7.448 -8.353 -31.345
159 HB2 LEU 21 2HB LEU 21 -7.169 -11.193 -30.363
160 HB3 LEU 21 1HB LEU 21 -8.481 -10.552 -31.331
161 HG LEU 21 HG LEU 21 -5.615 -10.830 -32.242
162 HD11 LEU 21 1HD1 LEU 21 -8.084 -12.397 -32.992
163 HD12 LEU 21 2HD1 LEU 21 -6.759 -12.980 -31.986
164 HD13 LEU 21 3HD1 LEU 21 -6.474 -12.598 -33.682
165 HD21 LEU 21 3HD2 LEU 21 -6.758 -8.929 -33.259
166 HD22 LEU 21 1HD2 LEU 21 -8.088 -9.981 -33.744
167 HD23 LEU 21 2HD2 LEU 21 -6.482 -10.216 -34.432
168 H ALA 22 H ALA 22 -6.462 -9.822 -28.318
169 HA ALA 22 HA ALA 22 -8.202 -8.187 -26.772
170 HB1 ALA 22 3HB ALA 22 -8.854 -11.135 -26.894
171 HB2 ALA 22 1HB ALA 22 -9.871 -9.825 -27.487
172 HB3 ALA 22 2HB ALA 22 -9.550 -9.979 -25.759
173 H HIS 23 H HIS 23 -6.347 -11.172 -26.916
174 HA HIS 23 HA HIS 23 -4.740 -10.243 -24.689
175 HB2 HIS 23 2HB HIS 23 -4.655 -12.504 -23.710
176 HB3 HIS 23 1HB HIS 23 -6.282 -11.844 -23.681
177 HD1 HIS 23 1HD HIS 23 -8.099 -13.084 -24.986
178 HD2 HIS 23 2HD HIS 23 -4.298 -14.708 -25.513
179 HE1 HIS 23 1HE HIS 23 -8.448 -15.295 -26.141
180 HE2 HIS 23 2HE HIS 23 -6.136 -16.218 -26.536
181 H ALA 24 H ALA 24 -2.576 -10.647 -24.941
182 HA ALA 24 HA ALA 24 -1.721 -11.748 -27.469
183 HB1 ALA 24 3HB ALA 24 -0.580 -9.788 -26.529
184 HB2 ALA 24 1HB ALA 24 0.531 -11.136 -26.756
185 HB3 ALA 24 2HB ALA 24 -0.068 -10.752 -25.142
186 H GLN 25 H GLN 25 -1.602 -12.579 -24.062
187 HA GLN 25 HA GLN 25 -0.796 -15.312 -24.755
188 HB2 GLN 25 2HB GLN 25 0.662 -14.187 -23.144
189 HB3 GLN 25 1HB GLN 25 -0.721 -13.823 -22.123
190 HG2 GLN 25 2HG GLN 25 0.361 -15.642 -21.114
191 HG3 GLN 25 1HG GLN 25 -1.053 -16.323 -21.909
192 HE21 GLN 25 1HE2 GLN 25 1.457 -17.583 -21.084
193 HE22 GLN 25 2HE2 GLN 25 2.126 -18.304 -22.523
Start of MODEL 13
1 H1 GLU 1 1HT GLU 1 13.744 4.128 -18.575
2 H2 GLU 1 2HT GLU 1 13.547 2.582 -19.243
3 H3 GLU 1 3HT GLU 1 12.221 3.635 -19.146
4 HA GLU 1 HA GLU 1 13.041 3.524 -21.387
5 HB2 GLU 1 2HB GLU 1 12.090 5.632 -20.703
6 HB3 GLU 1 1HB GLU 1 13.606 6.127 -19.955
7 HG2 GLU 1 2HG GLU 1 13.251 7.237 -22.084
8 HG3 GLU 1 1HG GLU 1 14.667 6.185 -22.140
9 H PHE 2 H PHE 2 14.680 3.093 -22.680
10 HA PHE 2 HA PHE 2 17.394 3.388 -21.606
11 HB2 PHE 2 2HB PHE 2 16.627 1.071 -22.029
12 HB3 PHE 2 1HB PHE 2 16.381 1.478 -23.721
13 HD1 PHE 2 2HD PHE 2 18.932 1.189 -21.082
14 HD2 PHE 2 1HD PHE 2 18.168 1.404 -25.256
15 HE1 PHE 2 2HE PHE 2 21.280 0.602 -21.539
16 HE2 PHE 2 1HE PHE 2 20.514 0.816 -25.723
17 HZ PHE 2 HZ PHE 2 22.073 0.418 -23.863
18 H CYS 3 H CYS 3 15.320 3.931 -24.412
19 HA CYS 3 HA CYS 3 17.622 5.008 -25.862
20 HB2 CYS 3 2HB CYS 3 14.957 4.391 -27.082
21 HB3 CYS 3 1HB CYS 3 16.510 4.551 -27.885
22 H LEU 4 H LEU 4 15.467 6.220 -23.888
23 HA LEU 4 HA LEU 4 14.399 8.196 -23.573
24 HB2 LEU 4 2HB LEU 4 16.084 9.130 -25.897
25 HB3 LEU 4 1HB LEU 4 15.209 10.167 -24.787
26 HG LEU 4 HG LEU 4 17.515 8.361 -24.055
27 HD11 LEU 4 1HD1 LEU 4 17.361 11.366 -24.249
28 HD12 LEU 4 2HD1 LEU 4 18.193 10.305 -25.383
29 HD13 LEU 4 3HD1 LEU 4 18.755 10.427 -23.717
30 HD21 LEU 4 3HD2 LEU 4 15.957 10.335 -22.389
31 HD22 LEU 4 1HD2 LEU 4 17.409 9.473 -21.875
32 HD23 LEU 4 2HD2 LEU 4 15.929 8.579 -22.223
33 H ASN 5 H ASN 5 13.257 6.178 -25.350
34 HA ASN 5 HA ASN 5 11.071 7.440 -26.446
35 HB2 ASN 5 2HB ASN 5 12.620 8.482 -28.058
36 HB3 ASN 5 1HB ASN 5 13.171 6.886 -28.564
37 HD21 ASN 5 1HD2 ASN 5 11.629 5.486 -29.609
38 HD22 ASN 5 2HD2 ASN 5 10.309 6.172 -30.504
39 H CYS 6 H CYS 6 13.381 4.844 -27.250
40 HA CYS 6 HA CYS 6 11.492 3.238 -28.586
41 HB2 CYS 6 2HB CYS 6 13.174 1.649 -28.828
42 HB3 CYS 6 1HB CYS 6 14.098 3.135 -28.637
43 H VAL 7 H VAL 7 11.901 3.839 -25.319
44 HA VAL 7 HA VAL 7 10.549 1.343 -24.631
45 HB VAL 7 HB VAL 7 12.369 3.137 -23.034
46 HG11 VAL 7 1HG1 VAL 7 10.604 0.925 -21.927
47 HG12 VAL 7 2HG1 VAL 7 10.430 2.648 -21.591
48 HG13 VAL 7 3HG1 VAL 7 11.864 1.784 -21.043
49 HG21 VAL 7 3HG2 VAL 7 13.349 1.342 -24.391
50 HG22 VAL 7 1HG2 VAL 7 12.356 0.161 -23.536
51 HG23 VAL 7 2HG2 VAL 7 13.589 1.073 -22.664
52 H SER 8 H SER 8 10.573 4.820 -23.829
53 HA SER 8 HA SER 8 8.076 4.533 -22.447
54 HB2 SER 8 2HB SER 8 9.534 7.100 -23.052
55 HB3 SER 8 1HB SER 8 8.311 6.833 -21.813
56 HG SER 8 HG SER 8 10.952 5.848 -21.920
57 H HIS 9 H HIS 9 9.163 6.093 -25.431
58 HA HIS 9 HA HIS 9 6.531 7.265 -25.843
59 HB2 HIS 9 2HB HIS 9 9.116 7.535 -27.394
60 HB3 HIS 9 1HB HIS 9 7.630 8.408 -27.768
61 HD1 HIS 9 1HD HIS 9 7.220 10.549 -26.514
62 HD2 HIS 9 2HD HIS 9 10.263 8.261 -24.829
63 HE1 HIS 9 1HE HIS 9 8.223 11.969 -24.696
64 HE2 HIS 9 2HE HIS 9 9.876 10.458 -23.531
65 H THR 10 H THR 10 6.645 4.469 -25.969
66 HA THR 10 HA THR 10 5.584 4.141 -28.664
67 HB THR 10 HB THR 10 7.681 3.107 -28.966
68 HG1 THR 10 1HG THR 10 5.809 1.809 -29.583
69 HG21 THR 10 3HG2 THR 10 8.625 1.436 -27.445
70 HG22 THR 10 1HG2 THR 10 7.261 1.656 -26.350
71 HG23 THR 10 2HG2 THR 10 8.387 2.983 -26.632
72 H ALA 11 H ALA 11 5.943 2.689 -25.451
73 HA ALA 11 HA ALA 11 4.534 1.601 -24.066
74 HB1 ALA 11 3HB ALA 11 2.142 1.905 -24.244
75 HB2 ALA 11 1HB ALA 11 2.317 2.518 -25.891
76 HB3 ALA 11 2HB ALA 11 2.966 3.437 -24.535
77 H SER 12 H SER 12 3.495 1.105 -27.422
78 HA SER 12 HA SER 12 2.422 -1.436 -27.208
79 HB2 SER 12 2HB SER 12 2.411 0.134 -29.213
80 HB3 SER 12 1HB SER 12 4.031 -0.449 -29.571
81 HG SER 12 HG SER 12 3.269 -2.424 -30.034
82 H TYR 13 H TYR 13 5.769 -0.516 -27.927
83 HA TYR 13 HA TYR 13 6.779 -3.058 -28.422
84 HB2 TYR 13 2HB TYR 13 8.031 -1.117 -29.060
85 HB3 TYR 13 1HB TYR 13 8.108 -0.554 -27.397
86 HD1 TYR 13 2HD TYR 13 9.298 -3.266 -29.663
87 HD2 TYR 13 1HD TYR 13 9.889 -1.155 -26.018
88 HE1 TYR 13 2HE TYR 13 11.470 -4.390 -29.363
89 HE2 TYR 13 1HE TYR 13 12.048 -2.271 -25.709
90 HH TYR 13 HH TYR 13 13.582 -4.056 -28.182
91 H LEU 14 H LEU 14 6.610 -1.240 -25.385
92 HA LEU 14 HA LEU 14 7.953 -3.308 -23.903
93 HB2 LEU 14 2HB LEU 14 8.119 -0.902 -23.346
94 HB3 LEU 14 1HB LEU 14 6.424 -0.903 -22.909
95 HG LEU 14 HG LEU 14 6.922 -2.530 -21.107
96 HD11 LEU 14 1HD1 LEU 14 9.792 -2.018 -21.883
97 HD12 LEU 14 2HD1 LEU 14 8.921 -3.543 -22.065
98 HD13 LEU 14 3HD1 LEU 14 9.252 -2.902 -20.455
99 HD21 LEU 14 3HD2 LEU 14 8.000 -0.921 -19.623
100 HD22 LEU 14 1HD2 LEU 14 6.806 -0.136 -20.656
101 HD23 LEU 14 2HD2 LEU 14 8.525 0.020 -21.020
102 H ARG 15 H ARG 15 4.640 -2.395 -24.548
103 HA ARG 15 HA ARG 15 3.470 -3.952 -22.466
104 HB2 ARG 15 2HB ARG 15 2.353 -2.019 -23.551
105 HB3 ARG 15 1HB ARG 15 2.241 -2.946 -25.037
106 HG2 ARG 15 2HG ARG 15 0.831 -4.597 -23.881
107 HG3 ARG 15 1HG ARG 15 0.897 -3.596 -22.428
108 HD2 ARG 15 2HD ARG 15 -0.232 -2.784 -25.110
109 HD3 ARG 15 1HD ARG 15 -1.167 -3.215 -23.677
110 HE ARG 15 HE ARG 15 0.629 -1.059 -23.132
111 HH11 ARG 15 1HH1 ARG 15 -2.428 -1.842 -24.679
112 HH12 ARG 15 2HH1 ARG 15 -3.096 -0.252 -24.440
113 HH21 ARG 15 1HH2 ARG 15 -0.236 1.057 -22.881
114 HH22 ARG 15 2HH2 ARG 15 -1.843 1.398 -23.481
115 H LEU 16 H LEU 16 4.274 -4.545 -25.841
116 HA LEU 16 HA LEU 16 2.992 -7.148 -25.752
117 HB2 LEU 16 2HB LEU 16 4.470 -5.754 -27.984
118 HB3 LEU 16 1HB LEU 16 3.645 -7.296 -28.127
119 HG LEU 16 HG LEU 16 2.313 -4.659 -27.492
120 HD11 LEU 16 1HD1 LEU 16 1.329 -4.885 -29.718
121 HD12 LEU 16 2HD1 LEU 16 2.287 -6.340 -29.996
122 HD13 LEU 16 3HD1 LEU 16 3.085 -4.779 -29.799
123 HD21 LEU 16 3HD2 LEU 16 0.221 -5.928 -27.785
124 HD22 LEU 16 1HD2 LEU 16 1.175 -6.521 -26.423
125 HD23 LEU 16 2HD2 LEU 16 1.163 -7.413 -27.944
126 H TRP 17 H TRP 17 6.041 -5.871 -25.082
127 HA TRP 17 HA TRP 17 7.625 -8.090 -25.887
128 HB2 TRP 17 2HB TRP 17 8.441 -5.733 -25.394
129 HB3 TRP 17 1HB TRP 17 8.322 -6.148 -23.688
130 HD1 TRP 17 HD TRP 17 10.112 -7.392 -26.873
131 HE1 TRP 17 1HE TRP 17 12.399 -8.369 -26.208
132 HE3 TRP 17 3HE TRP 17 9.713 -6.949 -21.798
133 HZ2 TRP 17 2HZ TRP 17 13.832 -8.885 -23.834
134 HZ3 TRP 17 3HZ TRP 17 11.593 -7.709 -20.399
135 HH2 TRP 17 HH TRP 17 13.607 -8.655 -21.396
136 H ALA 18 H ALA 18 6.309 -9.788 -25.115
137 HA ALA 18 HA ALA 18 7.035 -10.619 -22.409
138 HB1 ALA 18 3HB ALA 18 4.188 -10.655 -23.421
139 HB2 ALA 18 1HB ALA 18 4.821 -9.593 -22.166
140 HB3 ALA 18 2HB ALA 18 4.745 -11.335 -21.892
141 H LEU 19 H LEU 19 5.053 -11.623 -25.193
142 HA LEU 19 HA LEU 19 6.079 -14.329 -25.026
143 HB2 LEU 19 2HB LEU 19 4.193 -13.037 -26.993
144 HB3 LEU 19 1HB LEU 19 4.579 -14.745 -26.943
145 HG LEU 19 HG LEU 19 3.191 -13.212 -24.745
146 HD11 LEU 19 1HD1 LEU 19 1.781 -13.457 -26.710
147 HD12 LEU 19 2HD1 LEU 19 1.214 -14.509 -25.412
148 HD13 LEU 19 3HD1 LEU 19 2.123 -15.184 -26.763
149 HD21 LEU 19 3HD2 LEU 19 3.724 -16.165 -25.049
150 HD22 LEU 19 1HD2 LEU 19 2.824 -15.392 -23.743
151 HD23 LEU 19 2HD2 LEU 19 4.547 -15.081 -23.930
152 H SER 20 H SER 20 7.368 -11.589 -26.093
153 HA SER 20 HA SER 20 8.276 -12.103 -28.699
154 HB2 SER 20 2HB SER 20 9.644 -10.510 -26.514
155 HB3 SER 20 1HB SER 20 9.884 -10.327 -28.255
156 HG SER 20 HG SER 20 7.711 -9.656 -28.419
157 H LEU 21 H LEU 21 9.649 -12.748 -25.517
158 HA LEU 21 HA LEU 21 11.275 -14.118 -24.758
159 HB2 LEU 21 2HB LEU 21 10.634 -15.678 -27.258
160 HB3 LEU 21 1HB LEU 21 11.506 -16.295 -25.868
161 HG LEU 21 HG LEU 21 8.613 -15.404 -25.865
162 HD11 LEU 21 1HD1 LEU 21 9.824 -18.158 -25.745
163 HD12 LEU 21 2HD1 LEU 21 8.965 -17.467 -27.122
164 HD13 LEU 21 3HD1 LEU 21 8.108 -17.777 -25.611
165 HD21 LEU 21 3HD2 LEU 21 8.538 -16.388 -23.626
166 HD22 LEU 21 1HD2 LEU 21 9.686 -15.049 -23.698
167 HD23 LEU 21 2HD2 LEU 21 10.268 -16.714 -23.713
168 H ALA 22 H ALA 22 12.126 -15.051 -28.026
169 HA ALA 22 HA ALA 22 14.568 -13.416 -27.825
170 HB1 ALA 22 3HB ALA 22 15.863 -15.240 -28.797
171 HB2 ALA 22 1HB ALA 22 14.422 -16.259 -28.827
172 HB3 ALA 22 2HB ALA 22 15.106 -15.743 -27.286
173 H HIS 23 H HIS 23 12.269 -15.078 -29.890
174 HA HIS 23 HA HIS 23 12.454 -12.964 -31.811
175 HB2 HIS 23 2HB HIS 23 12.827 -14.508 -33.751
176 HB3 HIS 23 1HB HIS 23 14.228 -14.235 -32.731
177 HD1 HIS 23 1HD HIS 23 12.319 -16.895 -34.287
178 HD2 HIS 23 2HD HIS 23 14.704 -16.507 -30.893
179 HE1 HIS 23 1HE HIS 23 12.946 -19.233 -33.617
180 HE2 HIS 23 2HE HIS 23 14.453 -18.980 -31.613
181 H ALA 24 H ALA 24 11.017 -15.901 -30.643
182 HA ALA 24 HA ALA 24 8.834 -16.449 -30.344
183 HB1 ALA 24 3HB ALA 24 8.151 -13.868 -31.748
184 HB2 ALA 24 1HB ALA 24 8.364 -14.064 -30.010
185 HB3 ALA 24 2HB ALA 24 7.041 -14.890 -30.835
186 H GLN 25 H GLN 25 10.090 -15.675 -33.413
187 HA GLN 25 HA GLN 25 8.229 -17.572 -34.668
188 HB2 GLN 25 2HB GLN 25 7.916 -15.286 -35.500
189 HB3 GLN 25 1HB GLN 25 9.629 -15.183 -35.873
190 HG2 GLN 25 2HG GLN 25 9.308 -17.065 -37.483
191 HG3 GLN 25 1HG GLN 25 7.570 -16.936 -37.187
192 HE21 GLN 25 1HE2 GLN 25 10.362 -15.434 -38.565
193 HE22 GLN 25 2HE2 GLN 25 9.528 -14.241 -39.510
Start of MODEL 14
1 H1 GLU 1 1HT GLU 1 5.068 7.072 -18.882
2 H2 GLU 1 2HT GLU 1 5.984 7.307 -17.470
3 H3 GLU 1 3HT GLU 1 5.609 5.735 -17.987
4 HA GLU 1 HA GLU 1 6.961 5.932 -19.900
5 HB2 GLU 1 2HB GLU 1 6.546 8.318 -20.328
6 HB3 GLU 1 1HB GLU 1 7.511 8.740 -18.917
7 HG2 GLU 1 2HG GLU 1 8.711 9.024 -21.041
8 HG3 GLU 1 1HG GLU 1 9.494 7.878 -19.953
9 H PHE 2 H PHE 2 8.701 4.770 -19.545
10 HA PHE 2 HA PHE 2 10.358 5.347 -17.188
11 HB2 PHE 2 2HB PHE 2 8.888 3.277 -17.040
12 HB3 PHE 2 1HB PHE 2 9.840 2.611 -18.356
13 HD1 PHE 2 2HD PHE 2 10.049 3.827 -14.864
14 HD2 PHE 2 1HD PHE 2 11.901 1.574 -17.965
15 HE1 PHE 2 2HE PHE 2 11.704 2.975 -13.257
16 HE2 PHE 2 1HE PHE 2 13.555 0.716 -16.363
17 HZ PHE 2 HZ PHE 2 13.460 1.420 -14.007
18 H CYS 3 H CYS 3 10.130 4.980 -20.556
19 HA CYS 3 HA CYS 3 12.969 4.288 -20.777
20 HB2 CYS 3 2HB CYS 3 11.272 2.700 -21.749
21 HB3 CYS 3 1HB CYS 3 10.858 3.960 -22.903
22 H LEU 4 H LEU 4 11.136 6.909 -20.737
23 HA LEU 4 HA LEU 4 11.336 9.058 -21.445
24 HB2 LEU 4 2HB LEU 4 14.037 8.112 -22.399
25 HB3 LEU 4 1HB LEU 4 13.537 9.791 -22.317
26 HG LEU 4 HG LEU 4 13.788 7.937 -19.947
27 HD11 LEU 4 1HD1 LEU 4 15.741 9.270 -19.365
28 HD12 LEU 4 2HD1 LEU 4 15.544 10.230 -20.833
29 HD13 LEU 4 3HD1 LEU 4 15.952 8.518 -20.946
30 HD21 LEU 4 3HD2 LEU 4 13.441 9.943 -18.612
31 HD22 LEU 4 1HD2 LEU 4 12.059 9.653 -19.668
32 HD23 LEU 4 2HD2 LEU 4 13.234 10.904 -20.077
33 H ASN 5 H ASN 5 10.251 6.981 -23.267
34 HA ASN 5 HA ASN 5 9.588 8.367 -25.521
35 HB2 ASN 5 2HB ASN 5 11.881 8.479 -26.269
36 HB3 ASN 5 1HB ASN 5 12.110 6.758 -25.977
37 HD21 ASN 5 1HD2 ASN 5 11.188 5.261 -27.407
38 HD22 ASN 5 2HD2 ASN 5 10.676 5.715 -28.991
39 H CYS 6 H CYS 6 10.751 5.188 -24.538
40 HA CYS 6 HA CYS 6 9.393 3.741 -26.520
41 HB2 CYS 6 2HB CYS 6 10.214 2.652 -23.840
42 HB3 CYS 6 1HB CYS 6 10.074 1.779 -25.361
43 H VAL 7 H VAL 7 8.192 5.260 -23.785
44 HA VAL 7 HA VAL 7 5.831 3.539 -23.827
45 HB VAL 7 HB VAL 7 6.923 5.345 -21.669
46 HG11 VAL 7 1HG1 VAL 7 4.485 5.630 -21.774
47 HG12 VAL 7 2HG1 VAL 7 4.960 4.746 -20.323
48 HG13 VAL 7 3HG1 VAL 7 4.272 3.881 -21.699
49 HG21 VAL 7 3HG2 VAL 7 7.926 3.144 -21.781
50 HG22 VAL 7 1HG2 VAL 7 6.336 2.385 -21.752
51 HG23 VAL 7 2HG2 VAL 7 6.912 3.281 -20.345
52 H SER 8 H SER 8 6.893 6.911 -23.703
53 HA SER 8 HA SER 8 4.313 8.018 -24.012
54 HB2 SER 8 2HB SER 8 6.978 9.290 -24.644
55 HB3 SER 8 1HB SER 8 5.462 10.133 -24.322
56 HG SER 8 HG SER 8 7.081 8.642 -22.553
57 H HIS 9 H HIS 9 6.812 7.121 -26.351
58 HA HIS 9 HA HIS 9 5.067 8.137 -28.494
59 HB2 HIS 9 2HB HIS 9 8.050 7.646 -28.463
60 HB3 HIS 9 1HB HIS 9 7.142 8.005 -29.927
61 HD1 HIS 9 1HD HIS 9 9.402 9.739 -28.189
62 HD2 HIS 9 2HD HIS 9 5.370 10.506 -28.848
63 HE1 HIS 9 1HE HIS 9 9.113 12.212 -27.846
64 HE2 HIS 9 2HE HIS 9 6.677 12.668 -28.296
65 H THR 10 H THR 10 5.766 5.305 -26.980
66 HA THR 10 HA THR 10 5.349 3.798 -29.461
67 HB THR 10 HB THR 10 7.237 3.005 -27.233
68 HG1 THR 10 1HG THR 10 7.835 3.706 -29.936
69 HG21 THR 10 3HG2 THR 10 6.651 1.681 -29.887
70 HG22 THR 10 1HG2 THR 10 6.182 1.066 -28.302
71 HG23 THR 10 2HG2 THR 10 7.888 1.181 -28.735
72 H ALA 11 H ALA 11 5.593 3.178 -25.973
73 HA ALA 11 HA ALA 11 4.216 2.175 -24.467
74 HB1 ALA 11 3HB ALA 11 2.063 2.476 -26.552
75 HB2 ALA 11 1HB ALA 11 2.478 3.665 -25.316
76 HB3 ALA 11 2HB ALA 11 1.818 2.099 -24.847
77 H SER 12 H SER 12 3.729 0.919 -27.745
78 HA SER 12 HA SER 12 2.922 -1.672 -27.114
79 HB2 SER 12 2HB SER 12 2.886 -0.586 -29.348
80 HB3 SER 12 1HB SER 12 4.621 -0.813 -29.459
81 HG SER 12 HG SER 12 3.821 -2.542 -30.464
82 H TYR 13 H TYR 13 6.198 -0.588 -28.013
83 HA TYR 13 HA TYR 13 7.480 -2.995 -27.271
84 HB2 TYR 13 2HB TYR 13 8.418 -1.339 -28.873
85 HB3 TYR 13 1HB TYR 13 8.675 -0.227 -27.535
86 HD1 TYR 13 2HD TYR 13 9.761 -3.377 -29.078
87 HD2 TYR 13 1HD TYR 13 10.522 -0.532 -26.017
88 HE1 TYR 13 2HE TYR 13 11.961 -4.407 -28.680
89 HE2 TYR 13 1HE TYR 13 12.720 -1.545 -25.608
90 HH TYR 13 HH TYR 13 14.215 -3.624 -27.717
91 H LEU 14 H LEU 14 6.842 -3.542 -25.279
92 HA LEU 14 HA LEU 14 8.055 -2.683 -22.954
93 HB2 LEU 14 2HB LEU 14 6.791 -0.577 -23.269
94 HB3 LEU 14 1HB LEU 14 5.294 -1.490 -23.334
95 HG LEU 14 HG LEU 14 5.720 -2.248 -20.997
96 HD11 LEU 14 1HD1 LEU 14 7.389 -1.031 -19.672
97 HD12 LEU 14 2HD1 LEU 14 7.967 -0.241 -21.140
98 HD13 LEU 14 3HD1 LEU 14 8.129 -1.986 -20.956
99 HD21 LEU 14 3HD2 LEU 14 5.082 -0.147 -19.948
100 HD22 LEU 14 1HD2 LEU 14 4.237 -0.351 -21.482
101 HD23 LEU 14 2HD2 LEU 14 5.614 0.746 -21.373
102 H ARG 15 H ARG 15 5.059 -3.755 -24.489
103 HA ARG 15 HA ARG 15 5.293 -6.290 -23.157
104 HB2 ARG 15 2HB ARG 15 4.191 -5.016 -21.378
105 HB3 ARG 15 1HB ARG 15 2.899 -4.571 -22.486
106 HG2 ARG 15 2HG ARG 15 2.203 -6.863 -22.680
107 HG3 ARG 15 1HG ARG 15 3.576 -7.397 -21.709
108 HD2 ARG 15 2HD ARG 15 2.692 -6.128 -19.802
109 HD3 ARG 15 1HD ARG 15 1.304 -5.643 -20.775
110 HE ARG 15 HE ARG 15 0.826 -8.111 -20.953
111 HH11 ARG 15 1HH1 ARG 15 2.477 -6.704 -18.180
112 HH12 ARG 15 2HH1 ARG 15 2.080 -8.031 -17.115
113 HH21 ARG 15 1HH2 ARG 15 0.348 -9.866 -19.564
114 HH22 ARG 15 2HH2 ARG 15 0.859 -9.811 -17.896
115 H LEU 16 H LEU 16 3.357 -4.159 -25.209
116 HA LEU 16 HA LEU 16 1.759 -6.386 -26.122
117 HB2 LEU 16 2HB LEU 16 1.793 -3.477 -26.896
118 HB3 LEU 16 1HB LEU 16 0.735 -4.658 -27.638
119 HG LEU 16 HG LEU 16 -0.186 -5.094 -25.304
120 HD11 LEU 16 1HD1 LEU 16 0.040 -3.250 -23.698
121 HD12 LEU 16 2HD1 LEU 16 1.254 -2.505 -24.740
122 HD13 LEU 16 3HD1 LEU 16 1.575 -4.068 -23.990
123 HD21 LEU 16 3HD2 LEU 16 -1.688 -3.185 -25.457
124 HD22 LEU 16 1HD2 LEU 16 -1.369 -3.872 -27.050
125 HD23 LEU 16 2HD2 LEU 16 -0.565 -2.382 -26.555
126 H TRP 17 H TRP 17 4.781 -5.329 -26.905
127 HA TRP 17 HA TRP 17 4.500 -5.698 -29.781
128 HB2 TRP 17 2HB TRP 17 5.925 -3.880 -28.668
129 HB3 TRP 17 1HB TRP 17 7.056 -5.165 -28.268
130 HD1 TRP 17 HD TRP 17 5.497 -3.481 -31.383
131 HE1 TRP 17 1HE TRP 17 7.172 -3.710 -33.327
132 HE3 TRP 17 3HE TRP 17 9.026 -6.360 -29.076
133 HZ2 TRP 17 2HZ TRP 17 9.658 -4.953 -33.815
134 HZ3 TRP 17 3HZ TRP 17 11.021 -7.028 -30.349
135 HH2 TRP 17 HH TRP 17 11.330 -6.337 -32.670
136 H ALA 18 H ALA 18 5.608 -7.421 -26.987
137 HA ALA 18 HA ALA 18 6.391 -9.665 -28.723
138 HB1 ALA 18 3HB ALA 18 8.172 -10.269 -27.169
139 HB2 ALA 18 1HB ALA 18 7.815 -8.850 -26.190
140 HB3 ALA 18 2HB ALA 18 8.433 -8.656 -27.832
141 H LEU 19 H LEU 19 5.787 -11.691 -28.009
142 HA LEU 19 HA LEU 19 4.597 -13.278 -26.913
143 HB2 LEU 19 2HB LEU 19 4.635 -11.345 -24.593
144 HB3 LEU 19 1HB LEU 19 4.041 -12.995 -24.517
145 HG LEU 19 HG LEU 19 6.883 -12.211 -25.159
146 HD11 LEU 19 1HD1 LEU 19 5.689 -13.349 -22.640
147 HD12 LEU 19 2HD1 LEU 19 6.275 -11.700 -22.853
148 HD13 LEU 19 3HD1 LEU 19 7.404 -13.052 -22.935
149 HD21 LEU 19 3HD2 LEU 19 7.337 -14.607 -24.857
150 HD22 LEU 19 1HD2 LEU 19 6.241 -14.308 -26.207
151 HD23 LEU 19 2HD2 LEU 19 5.608 -14.904 -24.673
152 H SER 20 H SER 20 3.494 -10.618 -28.126
153 HA SER 20 HA SER 20 0.856 -10.347 -27.149
154 HB2 SER 20 2HB SER 20 1.859 -8.591 -28.532
155 HB3 SER 20 1HB SER 20 2.028 -9.716 -29.881
156 HG SER 20 HG SER 20 0.120 -8.181 -29.781
157 H LEU 21 H LEU 21 1.854 -11.728 -30.279
158 HA LEU 21 HA LEU 21 0.605 -14.235 -29.756
159 HB2 LEU 21 2HB LEU 21 -1.402 -12.882 -30.241
160 HB3 LEU 21 1HB LEU 21 -0.718 -12.428 -31.789
161 HG LEU 21 HG LEU 21 -0.765 -14.815 -32.475
162 HD11 LEU 21 1HD1 LEU 21 -2.089 -16.400 -31.172
163 HD12 LEU 21 2HD1 LEU 21 -2.289 -15.196 -29.898
164 HD13 LEU 21 3HD1 LEU 21 -0.688 -15.837 -30.262
165 HD21 LEU 21 3HD2 LEU 21 -2.549 -13.367 -33.171
166 HD22 LEU 21 1HD2 LEU 21 -3.377 -13.581 -31.625
167 HD23 LEU 21 2HD2 LEU 21 -3.219 -14.939 -32.736
168 H ALA 22 H ALA 22 0.895 -12.409 -32.777
169 HA ALA 22 HA ALA 22 3.381 -13.561 -33.542
170 HB1 ALA 22 3HB ALA 22 0.910 -14.616 -34.925
171 HB2 ALA 22 1HB ALA 22 1.927 -15.530 -33.812
172 HB3 ALA 22 2HB ALA 22 2.584 -14.979 -35.352
173 H HIS 23 H HIS 23 1.974 -10.968 -33.389
174 HA HIS 23 HA HIS 23 2.221 -10.193 -36.184
175 HB2 HIS 23 2HB HIS 23 0.181 -8.880 -36.179
176 HB3 HIS 23 1HB HIS 23 -0.188 -10.562 -35.836
177 HD1 HIS 23 1HD HIS 23 -0.939 -7.233 -34.699
178 HD2 HIS 23 2HD HIS 23 -0.594 -10.979 -32.908
179 HE1 HIS 23 1HE HIS 23 -2.155 -7.061 -32.506
180 HE2 HIS 23 2HE HIS 23 -2.121 -9.391 -31.556
181 H ALA 24 H ALA 24 3.401 -8.432 -36.450
182 HA ALA 24 HA ALA 24 4.097 -6.780 -34.174
183 HB1 ALA 24 3HB ALA 24 4.816 -6.467 -37.094
184 HB2 ALA 24 1HB ALA 24 5.801 -7.277 -35.879
185 HB3 ALA 24 2HB ALA 24 5.500 -5.542 -35.758
186 H GLN 25 H GLN 25 2.026 -6.714 -36.971
187 HA GLN 25 HA GLN 25 0.844 -4.216 -35.998
188 HB2 GLN 25 2HB GLN 25 2.033 -3.930 -38.140
189 HB3 GLN 25 1HB GLN 25 1.072 -5.227 -38.836
190 HG2 GLN 25 2HG GLN 25 -0.928 -3.910 -38.657
191 HG3 GLN 25 1HG GLN 25 -0.062 -2.651 -37.770
192 HE21 GLN 25 1HE2 GLN 25 -0.618 -4.114 -40.869
193 HE22 GLN 25 2HE2 GLN 25 0.162 -2.883 -41.817
Start of MODEL 15
1 H1 GLU 1 1HT GLU 1 10.440 6.878 -18.586
2 H2 GLU 1 2HT GLU 1 12.089 7.097 -18.236
3 H3 GLU 1 3HT GLU 1 11.402 5.546 -18.172
4 HA GLU 1 HA GLU 1 10.993 5.565 -20.526
5 HB2 GLU 1 2HB GLU 1 11.579 8.381 -20.180
6 HB3 GLU 1 1HB GLU 1 12.590 7.678 -21.439
7 HG2 GLU 1 2HG GLU 1 9.602 7.451 -21.321
8 HG3 GLU 1 1HG GLU 1 10.493 8.621 -22.295
9 H PHE 2 H PHE 2 12.428 4.432 -21.706
10 HA PHE 2 HA PHE 2 15.198 4.366 -20.723
11 HB2 PHE 2 2HB PHE 2 13.821 2.272 -20.457
12 HB3 PHE 2 1HB PHE 2 13.727 2.185 -22.209
13 HD1 PHE 2 2HD PHE 2 16.106 2.164 -19.365
14 HD2 PHE 2 1HD PHE 2 15.427 1.202 -23.455
15 HE1 PHE 2 2HE PHE 2 18.240 0.943 -19.427
16 HE2 PHE 2 1HE PHE 2 17.561 -0.023 -23.523
17 HZ PHE 2 HZ PHE 2 18.943 -0.197 -21.464
18 H CYS 3 H CYS 3 13.103 4.880 -23.441
19 HA CYS 3 HA CYS 3 15.447 4.977 -25.201
20 HB2 CYS 3 2HB CYS 3 12.612 4.635 -26.141
21 HB3 CYS 3 1HB CYS 3 14.088 4.415 -27.072
22 H LEU 4 H LEU 4 13.235 6.828 -23.615
23 HA LEU 4 HA LEU 4 12.592 9.005 -23.696
24 HB2 LEU 4 2HB LEU 4 15.025 9.338 -24.317
25 HB3 LEU 4 1HB LEU 4 14.519 9.336 -25.993
26 HG LEU 4 HG LEU 4 13.112 11.317 -25.566
27 HD11 LEU 4 1HD1 LEU 4 13.367 12.545 -23.467
28 HD12 LEU 4 2HD1 LEU 4 14.371 11.246 -22.826
29 HD13 LEU 4 3HD1 LEU 4 12.672 10.946 -23.192
30 HD21 LEU 4 3HD2 LEU 4 16.013 11.580 -24.787
31 HD22 LEU 4 1HD2 LEU 4 14.968 12.901 -25.307
32 HD23 LEU 4 2HD2 LEU 4 15.355 11.595 -26.425
33 H ASN 5 H ASN 5 11.211 6.968 -25.104
34 HA ASN 5 HA ASN 5 9.343 8.261 -26.610
35 HB2 ASN 5 2HB ASN 5 11.021 8.755 -28.303
36 HB3 ASN 5 1HB ASN 5 11.455 7.049 -28.402
37 HD21 ASN 5 1HD2 ASN 5 9.922 5.565 -29.270
38 HD22 ASN 5 2HD2 ASN 5 8.659 6.118 -30.327
39 H CYS 6 H CYS 6 11.237 5.229 -26.592
40 HA CYS 6 HA CYS 6 9.219 3.735 -27.924
41 HB2 CYS 6 2HB CYS 6 10.596 1.864 -27.703
42 HB3 CYS 6 1HB CYS 6 11.746 3.195 -27.705
43 H VAL 7 H VAL 7 9.611 4.759 -24.745
44 HA VAL 7 HA VAL 7 7.926 2.627 -23.701
45 HB VAL 7 HB VAL 7 9.832 4.586 -22.437
46 HG11 VAL 7 1HG1 VAL 7 7.781 2.927 -20.941
47 HG12 VAL 7 2HG1 VAL 7 7.777 4.686 -21.076
48 HG13 VAL 7 3HG1 VAL 7 9.080 3.869 -20.209
49 HG21 VAL 7 3HG2 VAL 7 10.732 2.468 -23.180
50 HG22 VAL 7 1HG2 VAL 7 9.502 1.584 -22.276
51 HG23 VAL 7 2HG2 VAL 7 10.726 2.517 -21.416
52 H SER 8 H SER 8 8.213 6.153 -23.744
53 HA SER 8 HA SER 8 5.662 6.523 -22.514
54 HB2 SER 8 2HB SER 8 7.653 8.421 -23.725
55 HB3 SER 8 1HB SER 8 6.111 8.963 -23.062
56 HG SER 8 HG SER 8 6.715 8.067 -21.064
57 H HIS 9 H HIS 9 6.864 6.743 -25.840
58 HA HIS 9 HA HIS 9 4.200 7.683 -26.657
59 HB2 HIS 9 2HB HIS 9 6.905 8.018 -27.943
60 HB3 HIS 9 1HB HIS 9 5.401 8.388 -28.780
61 HD1 HIS 9 1HD HIS 9 7.759 10.433 -27.807
62 HD2 HIS 9 2HD HIS 9 3.963 9.909 -26.176
63 HE1 HIS 9 1HE HIS 9 7.232 12.570 -26.600
64 HE2 HIS 9 2HE HIS 9 5.038 12.144 -25.436
65 H THR 10 H THR 10 6.418 5.050 -26.987
66 HA THR 10 HA THR 10 4.975 3.990 -29.280
67 HB THR 10 HB THR 10 7.214 2.706 -27.703
68 HG1 THR 10 1HG THR 10 7.208 4.487 -29.914
69 HG21 THR 10 3HG2 THR 10 6.100 2.109 -30.449
70 HG22 THR 10 1HG2 THR 10 5.881 1.120 -29.006
71 HG23 THR 10 2HG2 THR 10 7.488 1.312 -29.705
72 H ALA 11 H ALA 11 5.688 3.094 -25.935
73 HA ALA 11 HA ALA 11 4.540 1.963 -24.341
74 HB1 ALA 11 3HB ALA 11 2.676 3.418 -24.936
75 HB2 ALA 11 1HB ALA 11 2.120 1.813 -24.452
76 HB3 ALA 11 2HB ALA 11 2.159 2.257 -26.158
77 H SER 12 H SER 12 3.690 0.734 -27.568
78 HA SER 12 HA SER 12 2.922 -1.847 -26.871
79 HB2 SER 12 2HB SER 12 2.808 -0.603 -29.127
80 HB3 SER 12 1HB SER 12 4.452 -1.179 -29.375
81 HG SER 12 HG SER 12 3.747 -3.263 -29.387
82 H TYR 13 H TYR 13 6.070 -0.481 -27.512
83 HA TYR 13 HA TYR 13 7.545 -2.798 -27.891
84 HB2 TYR 13 2HB TYR 13 8.296 -0.571 -28.530
85 HB3 TYR 13 1HB TYR 13 8.439 -0.114 -26.841
86 HD1 TYR 13 2HD TYR 13 9.729 -2.533 -29.349
87 HD2 TYR 13 1HD TYR 13 10.474 -0.438 -25.724
88 HE1 TYR 13 2HE TYR 13 12.043 -3.356 -29.355
89 HE2 TYR 13 1HE TYR 13 12.795 -1.249 -25.724
90 HH TYR 13 HH TYR 13 14.105 -3.087 -26.634
91 H LEU 14 H LEU 14 6.371 -1.472 -24.889
92 HA LEU 14 HA LEU 14 8.115 -3.378 -23.475
93 HB2 LEU 14 2HB LEU 14 7.810 -2.052 -21.441
94 HB3 LEU 14 1HB LEU 14 8.582 -1.134 -22.716
95 HG LEU 14 HG LEU 14 5.625 -0.877 -22.270
96 HD11 LEU 14 1HD1 LEU 14 7.773 0.614 -20.768
97 HD12 LEU 14 2HD1 LEU 14 6.667 -0.571 -20.072
98 HD13 LEU 14 3HD1 LEU 14 6.042 0.949 -20.713
99 HD21 LEU 14 3HD2 LEU 14 6.606 0.149 -24.257
100 HD22 LEU 14 1HD2 LEU 14 7.760 1.017 -23.249
101 HD23 LEU 14 2HD2 LEU 14 6.039 1.377 -23.124
102 H ARG 15 H ARG 15 5.287 -3.558 -24.749
103 HA ARG 15 HA ARG 15 4.202 -5.082 -22.509
104 HB2 ARG 15 2HB ARG 15 3.079 -2.908 -22.404
105 HB3 ARG 15 1HB ARG 15 2.578 -3.082 -24.081
106 HG2 ARG 15 2HG ARG 15 1.181 -4.962 -23.523
107 HG3 ARG 15 1HG ARG 15 1.764 -4.940 -21.857
108 HD2 ARG 15 2HD ARG 15 0.243 -2.708 -23.200
109 HD3 ARG 15 1HD ARG 15 -0.456 -3.895 -22.102
110 HE ARG 15 HE ARG 15 1.369 -2.953 -20.501
111 HH11 ARG 15 1HH1 ARG 15 -0.527 -1.127 -22.806
112 HH12 ARG 15 2HH1 ARG 15 -0.525 0.334 -21.875
113 HH21 ARG 15 1HH2 ARG 15 1.360 -1.037 -19.230
114 HH22 ARG 15 2HH2 ARG 15 0.523 0.380 -19.819
115 H LEU 16 H LEU 16 3.041 -4.156 -25.749
116 HA LEU 16 HA LEU 16 1.995 -6.749 -26.260
117 HB2 LEU 16 2HB LEU 16 2.488 -4.390 -28.071
118 HB3 LEU 16 1HB LEU 16 1.763 -5.880 -28.633
119 HG LEU 16 HG LEU 16 -0.037 -5.493 -26.852
120 HD11 LEU 16 1HD1 LEU 16 1.099 -2.706 -26.934
121 HD12 LEU 16 2HD1 LEU 16 1.183 -3.806 -25.561
122 HD13 LEU 16 3HD1 LEU 16 -0.382 -3.210 -26.118
123 HD21 LEU 16 3HD2 LEU 16 -1.293 -4.001 -28.306
124 HD22 LEU 16 1HD2 LEU 16 -0.408 -5.198 -29.251
125 HD23 LEU 16 2HD2 LEU 16 0.191 -3.543 -29.141
126 H TRP 17 H TRP 17 5.025 -5.209 -26.789
127 HA TRP 17 HA TRP 17 6.162 -6.782 -28.784
128 HB2 TRP 17 2HB TRP 17 7.122 -4.693 -27.801
129 HB3 TRP 17 1HB TRP 17 7.561 -5.617 -26.372
130 HD1 TRP 17 HD TRP 17 8.407 -5.412 -30.125
131 HE1 TRP 17 1HE TRP 17 10.807 -6.280 -30.474
132 HE3 TRP 17 3HE TRP 17 9.390 -6.991 -25.360
133 HZ2 TRP 17 2HZ TRP 17 12.837 -7.477 -28.925
134 HZ3 TRP 17 3HZ TRP 17 11.595 -7.991 -24.882
135 HH2 TRP 17 HH TRP 17 13.278 -8.224 -26.634
136 H ALA 18 H ALA 18 5.618 -7.439 -25.405
137 HA ALA 18 HA ALA 18 7.439 -9.669 -25.326
138 HB1 ALA 18 3HB ALA 18 5.357 -8.830 -23.306
139 HB2 ALA 18 1HB ALA 18 7.044 -8.314 -23.319
140 HB3 ALA 18 2HB ALA 18 6.644 -10.010 -23.056
141 H LEU 19 H LEU 19 4.130 -9.102 -26.054
142 HA LEU 19 HA LEU 19 3.515 -11.972 -25.952
143 HB2 LEU 19 2HB LEU 19 1.682 -9.589 -26.252
144 HB3 LEU 19 1HB LEU 19 1.163 -11.263 -26.197
145 HG LEU 19 HG LEU 19 2.541 -9.799 -23.943
146 HD11 LEU 19 1HD1 LEU 19 -0.332 -10.669 -24.212
147 HD12 LEU 19 2HD1 LEU 19 0.248 -9.014 -24.393
148 HD13 LEU 19 3HD1 LEU 19 0.392 -9.832 -22.838
149 HD21 LEU 19 3HD2 LEU 19 1.952 -11.765 -22.611
150 HD22 LEU 19 1HD2 LEU 19 3.037 -12.185 -23.936
151 HD23 LEU 19 2HD2 LEU 19 1.317 -12.553 -24.056
152 H SER 20 H SER 20 4.986 -10.162 -27.999
153 HA SER 20 HA SER 20 3.442 -10.215 -30.367
154 HB2 SER 20 2HB SER 20 5.363 -8.698 -30.038
155 HB3 SER 20 1HB SER 20 6.450 -10.081 -30.048
156 HG SER 20 HG SER 20 4.705 -9.662 -32.225
157 H LEU 21 H LEU 21 3.775 -11.571 -32.240
158 HA LEU 21 HA LEU 21 3.686 -14.306 -31.442
159 HB2 LEU 21 2HB LEU 21 2.224 -13.315 -33.166
160 HB3 LEU 21 1HB LEU 21 3.616 -13.120 -34.214
161 HG LEU 21 HG LEU 21 3.906 -15.575 -34.251
162 HD11 LEU 21 1HD1 LEU 21 2.110 -16.999 -33.409
163 HD12 LEU 21 2HD1 LEU 21 1.322 -15.586 -32.705
164 HD13 LEU 21 3HD1 LEU 21 2.899 -16.110 -32.110
165 HD21 LEU 21 3HD2 LEU 21 2.643 -14.504 -36.030
166 HD22 LEU 21 1HD2 LEU 21 1.171 -14.599 -35.063
167 HD23 LEU 21 2HD2 LEU 21 1.944 -16.075 -35.637
168 H ALA 22 H ALA 22 6.363 -12.515 -31.846
169 HA ALA 22 HA ALA 22 7.895 -14.193 -33.604
170 HB1 ALA 22 3HB ALA 22 9.798 -12.817 -32.955
171 HB2 ALA 22 1HB ALA 22 8.848 -12.082 -31.665
172 HB3 ALA 22 2HB ALA 22 8.409 -11.801 -33.349
173 H HIS 23 H HIS 23 6.816 -14.407 -30.458
174 HA HIS 23 HA HIS 23 8.918 -15.849 -29.234
175 HB2 HIS 23 2HB HIS 23 7.314 -16.538 -27.563
176 HB3 HIS 23 1HB HIS 23 7.019 -14.854 -27.969
177 HD1 HIS 23 1HD HIS 23 4.757 -14.273 -29.032
178 HD2 HIS 23 2HD HIS 23 5.274 -18.342 -28.349
179 HE1 HIS 23 1HE HIS 23 2.492 -15.312 -29.360
180 HE2 HIS 23 2HE HIS 23 2.778 -17.717 -28.682
181 H ALA 24 H ALA 24 6.549 -16.743 -31.588
182 HA ALA 24 HA ALA 24 7.681 -19.216 -32.203
183 HB1 ALA 24 3HB ALA 24 5.980 -20.774 -31.371
184 HB2 ALA 24 1HB ALA 24 5.192 -19.457 -30.506
185 HB3 ALA 24 2HB ALA 24 6.818 -19.968 -30.046
186 H GLN 25 H GLN 25 7.282 -17.888 -34.128
187 HA GLN 25 HA GLN 25 4.551 -17.863 -35.110
188 HB2 GLN 25 2HB GLN 25 5.974 -15.925 -35.548
189 HB3 GLN 25 1HB GLN 25 7.139 -16.946 -36.382
190 HG2 GLN 25 2HG GLN 25 5.478 -17.436 -38.103
191 HG3 GLN 25 1HG GLN 25 4.298 -16.441 -37.250
192 HE21 GLN 25 1HE2 GLN 25 7.160 -16.446 -39.223
193 HE22 GLN 25 2HE2 GLN 25 7.152 -14.748 -39.587
Start of MODEL 16
1 H1 GLU 1 1HT GLU 1 13.484 -0.343 -19.964
2 H2 GLU 1 2HT GLU 1 12.689 1.069 -19.443
3 H3 GLU 1 3HT GLU 1 14.361 0.903 -19.219
4 HA GLU 1 HA GLU 1 12.966 1.072 -21.820
5 HB2 GLU 1 2HB GLU 1 14.382 3.079 -20.127
6 HB3 GLU 1 1HB GLU 1 14.547 3.193 -21.878
7 HG2 GLU 1 2HG GLU 1 12.074 3.403 -20.210
8 HG3 GLU 1 1HG GLU 1 12.734 4.557 -21.377
9 H PHE 2 H PHE 2 13.942 0.018 -23.303
10 HA PHE 2 HA PHE 2 16.735 -0.671 -23.116
11 HB2 PHE 2 2HB PHE 2 15.000 -2.180 -24.149
12 HB3 PHE 2 1HB PHE 2 14.865 -1.023 -25.469
13 HD1 PHE 2 2HD PHE 2 17.216 -3.305 -23.748
14 HD2 PHE 2 1HD PHE 2 16.381 -1.071 -27.265
15 HE1 PHE 2 2HE PHE 2 19.095 -4.407 -24.891
16 HE2 PHE 2 1HE PHE 2 18.262 -2.169 -28.418
17 HZ PHE 2 HZ PHE 2 19.622 -3.841 -27.227
18 H CYS 3 H CYS 3 14.688 1.580 -24.939
19 HA CYS 3 HA CYS 3 17.139 2.868 -25.900
20 HB2 CYS 3 2HB CYS 3 14.540 3.077 -27.368
21 HB3 CYS 3 1HB CYS 3 16.166 3.367 -27.972
22 H LEU 4 H LEU 4 15.017 3.320 -23.614
23 HA LEU 4 HA LEU 4 13.971 5.059 -22.563
24 HB2 LEU 4 2HB LEU 4 16.020 6.663 -24.108
25 HB3 LEU 4 1HB LEU 4 15.047 7.284 -22.788
26 HG LEU 4 HG LEU 4 17.032 5.026 -22.527
27 HD11 LEU 4 1HD1 LEU 4 18.170 7.120 -23.024
28 HD12 LEU 4 2HD1 LEU 4 18.430 6.646 -21.345
29 HD13 LEU 4 3HD1 LEU 4 17.277 7.924 -21.734
30 HD21 LEU 4 3HD2 LEU 4 15.201 4.936 -20.913
31 HD22 LEU 4 1HD2 LEU 4 15.533 6.604 -20.445
32 HD23 LEU 4 2HD2 LEU 4 16.730 5.346 -20.138
33 H ASN 5 H ASN 5 12.844 4.171 -25.075
34 HA ASN 5 HA ASN 5 11.106 6.193 -25.863
35 HB2 ASN 5 2HB ASN 5 13.011 7.361 -26.802
36 HB3 ASN 5 1HB ASN 5 13.546 5.904 -27.637
37 HD21 ASN 5 1HD2 ASN 5 12.214 5.100 -29.365
38 HD22 ASN 5 2HD2 ASN 5 11.203 6.182 -30.272
39 H CYS 6 H CYS 6 13.059 3.616 -27.379
40 HA CYS 6 HA CYS 6 11.026 2.888 -29.224
41 HB2 CYS 6 2HB CYS 6 12.474 1.176 -29.951
42 HB3 CYS 6 1HB CYS 6 13.565 2.440 -29.393
43 H VAL 7 H VAL 7 11.132 2.520 -25.996
44 HA VAL 7 HA VAL 7 9.583 0.056 -26.072
45 HB VAL 7 HB VAL 7 11.481 1.029 -23.925
46 HG11 VAL 7 1HG1 VAL 7 10.889 -0.969 -22.659
47 HG12 VAL 7 2HG1 VAL 7 9.691 -1.415 -23.875
48 HG13 VAL 7 3HG1 VAL 7 9.461 0.039 -22.900
49 HG21 VAL 7 3HG2 VAL 7 12.543 -0.060 -25.818
50 HG22 VAL 7 1HG2 VAL 7 11.472 -1.452 -25.640
51 HG23 VAL 7 2HG2 VAL 7 12.641 -1.071 -24.376
52 H SER 8 H SER 8 10.045 2.913 -23.898
53 HA SER 8 HA SER 8 7.311 2.669 -23.034
54 HB2 SER 8 2HB SER 8 9.508 4.570 -22.260
55 HB3 SER 8 1HB SER 8 7.864 4.725 -21.646
56 HG SER 8 HG SER 8 9.657 2.545 -21.311
57 H HIS 9 H HIS 9 9.135 5.021 -24.995
58 HA HIS 9 HA HIS 9 6.959 6.842 -25.208
59 HB2 HIS 9 2HB HIS 9 9.335 7.471 -25.594
60 HB3 HIS 9 1HB HIS 9 9.321 6.526 -27.080
61 HD1 HIS 9 1HD HIS 9 9.737 8.554 -28.590
62 HD2 HIS 9 2HD HIS 9 6.342 8.928 -26.221
63 HE1 HIS 9 1HE HIS 9 8.499 10.546 -29.498
64 HE2 HIS 9 2HE HIS 9 6.343 10.607 -28.192
65 H THR 10 H THR 10 7.783 3.920 -26.755
66 HA THR 10 HA THR 10 6.070 4.212 -29.034
67 HB THR 10 HB THR 10 7.307 1.763 -27.762
68 HG1 THR 10 1HG THR 10 8.371 3.750 -29.178
69 HG21 THR 10 3HG2 THR 10 6.855 0.644 -29.889
70 HG22 THR 10 1HG2 THR 10 6.074 2.105 -30.501
71 HG23 THR 10 2HG2 THR 10 5.351 1.211 -29.164
72 H ALA 11 H ALA 11 5.896 3.011 -25.781
73 HA ALA 11 HA ALA 11 4.191 2.473 -24.394
74 HB1 ALA 11 3HB ALA 11 2.465 3.947 -26.364
75 HB2 ALA 11 1HB ALA 11 3.406 4.701 -25.078
76 HB3 ALA 11 2HB ALA 11 2.081 3.606 -24.677
77 H SER 12 H SER 12 4.740 0.785 -26.853
78 HA SER 12 HA SER 12 2.373 -0.911 -26.529
79 HB2 SER 12 2HB SER 12 3.776 -0.483 -29.170
80 HB3 SER 12 1HB SER 12 2.301 -1.381 -28.868
81 HG SER 12 HG SER 12 2.556 1.184 -29.474
82 H TYR 13 H TYR 13 5.678 -0.698 -27.740
83 HA TYR 13 HA TYR 13 6.195 -3.402 -28.064
84 HB2 TYR 13 2HB TYR 13 7.597 -1.619 -28.990
85 HB3 TYR 13 1HB TYR 13 8.137 -1.200 -27.369
86 HD1 TYR 13 2HD TYR 13 8.097 -4.037 -29.792
87 HD2 TYR 13 1HD TYR 13 10.038 -2.194 -26.486
88 HE1 TYR 13 2HE TYR 13 9.944 -5.650 -29.980
89 HE2 TYR 13 1HE TYR 13 11.888 -3.796 -26.665
90 HH TYR 13 HH TYR 13 12.284 -6.052 -27.549
91 H LEU 14 H LEU 14 6.501 -1.420 -25.146
92 HA LEU 14 HA LEU 14 8.047 -3.255 -23.661
93 HB2 LEU 14 2HB LEU 14 7.604 -1.945 -21.753
94 HB3 LEU 14 1HB LEU 14 7.727 -0.833 -23.096
95 HG LEU 14 HG LEU 14 5.099 -1.771 -21.949
96 HD11 LEU 14 1HD1 LEU 14 6.301 -0.587 -20.225
97 HD12 LEU 14 2HD1 LEU 14 5.015 0.437 -20.863
98 HD13 LEU 14 3HD1 LEU 14 6.685 0.719 -21.347
99 HD21 LEU 14 3HD2 LEU 14 5.804 0.522 -23.777
100 HD22 LEU 14 1HD2 LEU 14 4.198 0.173 -23.136
101 HD23 LEU 14 2HD2 LEU 14 4.971 -0.959 -24.246
102 H ARG 15 H ARG 15 4.747 -3.241 -24.517
103 HA ARG 15 HA ARG 15 4.102 -5.195 -22.404
104 HB2 ARG 15 2HB ARG 15 2.827 -3.107 -22.238
105 HB3 ARG 15 1HB ARG 15 2.282 -3.292 -23.898
106 HG2 ARG 15 2HG ARG 15 1.004 -5.249 -23.295
107 HG3 ARG 15 1HG ARG 15 1.622 -5.178 -21.642
108 HD2 ARG 15 2HD ARG 15 -0.662 -4.229 -21.890
109 HD3 ARG 15 1HD ARG 15 0.521 -3.083 -21.256
110 HE ARG 15 HE ARG 15 -0.072 -3.063 -24.126
111 HH11 ARG 15 1HH1 ARG 15 -0.337 -1.553 -20.981
112 HH12 ARG 15 2HH1 ARG 15 -0.782 0.010 -21.625
113 HH21 ARG 15 1HH2 ARG 15 -0.656 -1.023 -24.976
114 HH22 ARG 15 2HH2 ARG 15 -0.967 0.299 -23.902
115 H LEU 16 H LEU 16 4.802 -4.884 -25.609
116 HA LEU 16 HA LEU 16 4.555 -6.143 -27.474
117 HB2 LEU 16 2HB LEU 16 3.798 -8.178 -25.393
118 HB3 LEU 16 1HB LEU 16 3.834 -8.574 -27.098
119 HG LEU 16 HG LEU 16 6.274 -7.799 -27.062
120 HD11 LEU 16 1HD1 LEU 16 7.418 -7.876 -24.935
121 HD12 LEU 16 2HD1 LEU 16 5.902 -8.204 -24.096
122 HD13 LEU 16 3HD1 LEU 16 6.153 -6.645 -24.883
123 HD21 LEU 16 3HD2 LEU 16 5.462 -10.256 -25.510
124 HD22 LEU 16 1HD2 LEU 16 7.032 -9.984 -26.267
125 HD23 LEU 16 2HD2 LEU 16 5.584 -10.129 -27.265
126 H TRP 17 H TRP 17 2.329 -4.517 -26.491
127 HA TRP 17 HA TRP 17 0.003 -6.047 -27.422
128 HB2 TRP 17 2HB TRP 17 -0.092 -5.060 -25.127
129 HB3 TRP 17 1HB TRP 17 0.057 -3.461 -25.841
130 HD1 TRP 17 HD TRP 17 -2.087 -2.500 -27.151
131 HE1 TRP 17 1HE TRP 17 -4.590 -3.112 -27.018
132 HE3 TRP 17 3HE TRP 17 -1.684 -7.017 -24.789
133 HZ2 TRP 17 2HZ TRP 17 -6.168 -5.240 -26.039
134 HZ3 TRP 17 3HZ TRP 17 -3.736 -8.277 -24.293
135 HH2 TRP 17 HH TRP 17 -5.936 -7.402 -24.908
136 H ALA 18 H ALA 18 -0.078 -5.788 -29.567
137 HA ALA 18 HA ALA 18 -0.501 -3.061 -30.549
138 HB1 ALA 18 3HB ALA 18 1.212 -5.110 -31.962
139 HB2 ALA 18 1HB ALA 18 1.797 -3.655 -31.153
140 HB3 ALA 18 2HB ALA 18 0.772 -3.520 -32.583
141 H LEU 19 H LEU 19 -2.709 -3.508 -30.512
142 HA LEU 19 HA LEU 19 -4.721 -4.192 -31.327
143 HB2 LEU 19 2HB LEU 19 -3.679 -3.461 -33.478
144 HB3 LEU 19 1HB LEU 19 -3.162 -5.118 -33.747
145 HG LEU 19 HG LEU 19 -5.543 -5.814 -33.771
146 HD11 LEU 19 1HD1 LEU 19 -6.121 -2.867 -33.675
147 HD12 LEU 19 2HD1 LEU 19 -6.398 -3.997 -32.352
148 HD13 LEU 19 3HD1 LEU 19 -7.301 -4.163 -33.861
149 HD21 LEU 19 3HD2 LEU 19 -6.087 -4.874 -35.942
150 HD22 LEU 19 1HD2 LEU 19 -4.374 -5.289 -35.857
151 HD23 LEU 19 2HD2 LEU 19 -4.883 -3.606 -35.712
152 H SER 20 H SER 20 -3.078 -5.983 -29.749
153 HA SER 20 HA SER 20 -3.531 -8.633 -30.819
154 HB2 SER 20 2HB SER 20 -1.430 -7.958 -29.573
155 HB3 SER 20 1HB SER 20 -2.415 -7.870 -28.115
156 HG SER 20 HG SER 20 -1.353 -10.039 -29.366
157 H LEU 21 H LEU 21 -4.706 -10.249 -29.629
158 HA LEU 21 HA LEU 21 -6.959 -9.116 -28.128
159 HB2 LEU 21 2HB LEU 21 -6.635 -11.823 -29.446
160 HB3 LEU 21 1HB LEU 21 -8.061 -11.286 -28.577
161 HG LEU 21 HG LEU 21 -6.996 -10.074 -31.135
162 HD11 LEU 21 1HD1 LEU 21 -9.436 -11.758 -30.583
163 HD12 LEU 21 2HD1 LEU 21 -8.006 -12.261 -31.483
164 HD13 LEU 21 3HD1 LEU 21 -9.047 -10.987 -32.118
165 HD21 LEU 21 3HD2 LEU 21 -9.480 -9.431 -29.552
166 HD22 LEU 21 1HD2 LEU 21 -9.060 -8.762 -31.130
167 HD23 LEU 21 2HD2 LEU 21 -8.064 -8.394 -29.721
168 H ALA 22 H ALA 22 -7.617 -11.732 -26.961
169 HA ALA 22 HA ALA 22 -5.829 -11.566 -24.693
170 HB1 ALA 22 3HB ALA 22 -7.360 -13.140 -23.623
171 HB2 ALA 22 1HB ALA 22 -8.229 -13.340 -25.143
172 HB3 ALA 22 2HB ALA 22 -8.236 -11.777 -24.322
173 H HIS 23 H HIS 23 -5.797 -13.093 -27.575
174 HA HIS 23 HA HIS 23 -3.896 -15.059 -26.562
175 HB2 HIS 23 2HB HIS 23 -4.578 -16.731 -28.171
176 HB3 HIS 23 1HB HIS 23 -5.982 -16.256 -27.226
177 HD1 HIS 23 1HD HIS 23 -4.947 -16.855 -30.611
178 HD2 HIS 23 2HD HIS 23 -7.657 -14.286 -28.757
179 HE1 HIS 23 1HE HIS 23 -6.483 -16.049 -32.428
180 HE2 HIS 23 2HE HIS 23 -8.249 -14.696 -31.249
181 H ALA 24 H ALA 24 -2.072 -15.333 -27.760
182 HA ALA 24 HA ALA 24 -1.584 -13.259 -29.785
183 HB1 ALA 24 3HB ALA 24 0.790 -13.690 -29.377
184 HB2 ALA 24 1HB ALA 24 0.370 -14.995 -28.265
185 HB3 ALA 24 2HB ALA 24 -0.051 -13.328 -27.869
186 H GLN 25 H GLN 25 -1.858 -16.654 -29.282
187 HA GLN 25 HA GLN 25 -0.959 -17.237 -32.001
188 HB2 GLN 25 2HB GLN 25 -0.143 -18.710 -30.212
189 HB3 GLN 25 1HB GLN 25 -1.801 -19.064 -29.742
190 HG2 GLN 25 2HG GLN 25 -2.181 -20.104 -31.939
191 HG3 GLN 25 1HG GLN 25 -0.500 -19.790 -32.359
192 HE21 GLN 25 1HE2 GLN 25 -1.312 -20.672 -29.107
193 HE22 GLN 25 2HE2 GLN 25 -0.705 -22.297 -29.175
Start of MODEL 17
1 H1 GLU 1 1HT GLU 1 9.610 3.730 -16.851
2 H2 GLU 1 2HT GLU 1 8.133 4.526 -17.082
3 H3 GLU 1 3HT GLU 1 9.358 5.267 -16.170
4 HA GLU 1 HA GLU 1 9.354 4.730 -19.086
5 HB2 GLU 1 2HB GLU 1 9.191 7.183 -17.361
6 HB3 GLU 1 1HB GLU 1 9.868 7.290 -18.984
7 HG2 GLU 1 2HG GLU 1 7.327 5.871 -18.860
8 HG3 GLU 1 1HG GLU 1 7.242 7.562 -18.351
9 H PHE 2 H PHE 2 11.279 4.100 -19.817
10 HA PHE 2 HA PHE 2 13.667 4.780 -18.302
11 HB2 PHE 2 2HB PHE 2 13.306 2.473 -19.233
12 HB3 PHE 2 1HB PHE 2 13.476 3.159 -20.845
13 HD1 PHE 2 1HD PHE 2 15.194 2.411 -17.701
14 HD2 PHE 2 2HD PHE 2 15.638 3.753 -21.720
15 HE1 PHE 2 1HE PHE 2 17.628 2.114 -17.526
16 HE2 PHE 2 2HE PHE 2 18.075 3.457 -21.551
17 HZ PHE 2 HZ PHE 2 19.068 2.634 -19.455
18 H CYS 3 H CYS 3 12.138 5.469 -21.407
19 HA CYS 3 HA CYS 3 14.306 7.355 -21.970
20 HB2 CYS 3 2HB CYS 3 12.391 6.519 -24.093
21 HB3 CYS 3 1HB CYS 3 14.071 7.017 -24.239
22 H LEU 4 H LEU 4 11.385 7.441 -20.665
23 HA LEU 4 HA LEU 4 9.686 8.941 -20.475
24 HB2 LEU 4 2HB LEU 4 11.904 10.736 -21.435
25 HB3 LEU 4 1HB LEU 4 10.313 11.359 -21.057
26 HG LEU 4 HG LEU 4 10.593 10.445 -18.737
27 HD11 LEU 4 1HD1 LEU 4 13.418 10.020 -19.683
28 HD12 LEU 4 2HD1 LEU 4 12.294 8.782 -19.136
29 HD13 LEU 4 3HD1 LEU 4 12.900 9.982 -17.996
30 HD21 LEU 4 3HD2 LEU 4 12.612 12.462 -19.685
31 HD22 LEU 4 1HD2 LEU 4 12.052 12.261 -18.025
32 HD23 LEU 4 2HD2 LEU 4 10.929 12.795 -19.277
33 H ASN 5 H ASN 5 9.799 7.398 -22.820
34 HA ASN 5 HA ASN 5 8.034 8.644 -24.587
35 HB2 ASN 5 2HB ASN 5 9.896 10.049 -25.296
36 HB3 ASN 5 1HB ASN 5 10.911 8.627 -25.523
37 HD21 ASN 5 1HD2 ASN 5 10.425 7.182 -27.197
38 HD22 ASN 5 2HD2 ASN 5 9.511 7.681 -28.592
39 H CYS 6 H CYS 6 10.865 6.456 -24.724
40 HA CYS 6 HA CYS 6 9.756 4.745 -26.667
41 HB2 CYS 6 2HB CYS 6 11.558 3.241 -26.189
42 HB3 CYS 6 1HB CYS 6 12.198 4.871 -26.010
43 H VAL 7 H VAL 7 8.992 5.215 -23.464
44 HA VAL 7 HA VAL 7 7.872 2.558 -23.212
45 HB VAL 7 HB VAL 7 8.726 4.611 -21.185
46 HG11 VAL 7 1HG1 VAL 7 6.464 3.902 -20.499
47 HG12 VAL 7 2HG1 VAL 7 7.687 3.249 -19.411
48 HG13 VAL 7 3HG1 VAL 7 6.948 2.213 -20.631
49 HG21 VAL 7 3HG2 VAL 7 10.356 2.984 -21.944
50 HG22 VAL 7 1HG2 VAL 7 9.269 1.660 -21.533
51 HG23 VAL 7 2HG2 VAL 7 9.932 2.683 -20.261
52 H SER 8 H SER 8 6.972 5.939 -22.406
53 HA SER 8 HA SER 8 4.217 5.191 -22.214
54 HB2 SER 8 2HB SER 8 3.802 7.597 -21.858
55 HB3 SER 8 1HB SER 8 5.100 6.996 -20.826
56 HG SER 8 HG SER 8 6.382 8.387 -21.720
57 H HIS 9 H HIS 9 6.149 7.010 -24.535
58 HA HIS 9 HA HIS 9 3.827 7.464 -26.231
59 HB2 HIS 9 2HB HIS 9 6.699 8.394 -26.458
60 HB3 HIS 9 1HB HIS 9 5.421 8.825 -27.592
61 HD1 HIS 9 1HD HIS 9 6.944 9.851 -24.447
62 HD2 HIS 9 2HD HIS 9 3.298 10.422 -26.350
63 HE1 HIS 9 1HE HIS 9 5.905 11.827 -23.307
64 HE2 HIS 9 2HE HIS 9 3.611 12.022 -24.337
65 H THR 10 H THR 10 4.989 4.793 -25.842
66 HA THR 10 HA THR 10 5.144 4.126 -28.673
67 HB THR 10 HB THR 10 7.112 3.028 -26.655
68 HG1 THR 10 1HG THR 10 7.180 5.262 -28.194
69 HG21 THR 10 3HG2 THR 10 6.464 1.424 -28.400
70 HG22 THR 10 1HG2 THR 10 8.142 1.932 -28.568
71 HG23 THR 10 2HG2 THR 10 6.910 2.594 -29.639
72 H ALA 11 H ALA 11 5.239 2.685 -25.394
73 HA ALA 11 HA ALA 11 3.915 1.187 -24.335
74 HB1 ALA 11 3HB ALA 11 1.626 0.870 -25.020
75 HB2 ALA 11 1HB ALA 11 1.973 1.572 -26.603
76 HB3 ALA 11 2HB ALA 11 2.063 2.573 -25.152
77 H SER 12 H SER 12 3.623 0.529 -27.815
78 HA SER 12 HA SER 12 3.226 -2.208 -27.759
79 HB2 SER 12 2HB SER 12 3.238 -0.490 -29.710
80 HB3 SER 12 1HB SER 12 4.940 -0.896 -29.854
81 HG SER 12 HG SER 12 3.102 -2.136 -31.047
82 H TYR 13 H TYR 13 6.222 -0.401 -27.707
83 HA TYR 13 HA TYR 13 8.026 -2.510 -28.124
84 HB2 TYR 13 2HB TYR 13 8.538 -0.110 -28.415
85 HB3 TYR 13 1HB TYR 13 8.452 0.103 -26.673
86 HD1 TYR 13 1HD TYR 13 10.223 -2.045 -29.164
87 HD2 TYR 13 2HD TYR 13 10.460 0.143 -25.527
88 HE1 TYR 13 1HE TYR 13 12.624 -2.550 -29.027
89 HE2 TYR 13 2HE TYR 13 12.863 -0.355 -25.374
90 HH TYR 13 HH TYR 13 14.472 -1.908 -26.176
91 H LEU 14 H LEU 14 6.148 -1.728 -25.400
92 HA LEU 14 HA LEU 14 7.949 -3.136 -23.575
93 HB2 LEU 14 2HB LEU 14 5.393 -1.614 -23.076
94 HB3 LEU 14 1HB LEU 14 6.237 -2.518 -21.839
95 HG LEU 14 HG LEU 14 6.812 -0.236 -21.548
96 HD11 LEU 14 1HD1 LEU 14 9.249 -0.258 -21.932
97 HD12 LEU 14 2HD1 LEU 14 9.054 -1.693 -22.938
98 HD13 LEU 14 3HD1 LEU 14 8.654 -1.759 -21.222
99 HD21 LEU 14 3HD2 LEU 14 7.567 -0.203 -24.469
100 HD22 LEU 14 1HD2 LEU 14 7.831 1.115 -23.326
101 HD23 LEU 14 2HD2 LEU 14 6.187 0.616 -23.731
102 H ARG 15 H ARG 15 6.088 -4.165 -25.827
103 HA ARG 15 HA ARG 15 4.983 -6.096 -26.274
104 HB2 ARG 15 2HB ARG 15 5.478 -6.857 -23.391
105 HB3 ARG 15 1HB ARG 15 5.024 -7.936 -24.698
106 HG2 ARG 15 2HG ARG 15 7.135 -7.653 -25.770
107 HG3 ARG 15 1HG ARG 15 7.588 -6.372 -24.641
108 HD2 ARG 15 2HD ARG 15 7.186 -9.299 -24.049
109 HD3 ARG 15 1HD ARG 15 8.687 -8.380 -23.964
110 HE ARG 15 HE ARG 15 6.943 -7.144 -22.221
111 HH11 ARG 15 1HH1 ARG 15 8.380 -10.323 -22.567
112 HH12 ARG 15 2HH1 ARG 15 8.336 -10.677 -20.859
113 HH21 ARG 15 1HH2 ARG 15 6.886 -7.583 -19.992
114 HH22 ARG 15 2HH2 ARG 15 7.484 -9.106 -19.382
115 H LEU 16 H LEU 16 3.798 -3.663 -25.019
116 HA LEU 16 HA LEU 16 1.641 -4.606 -23.372
117 HB2 LEU 16 2HB LEU 16 2.715 -2.365 -23.107
118 HB3 LEU 16 1HB LEU 16 2.023 -1.889 -24.645
119 HG LEU 16 HG LEU 16 -0.241 -2.192 -23.703
120 HD11 LEU 16 1HD1 LEU 16 0.270 -3.859 -21.997
121 HD12 LEU 16 2HD1 LEU 16 -0.536 -2.457 -21.294
122 HD13 LEU 16 3HD1 LEU 16 1.203 -2.663 -21.101
123 HD21 LEU 16 3HD2 LEU 16 -0.229 -0.205 -22.337
124 HD22 LEU 16 1HD2 LEU 16 0.882 -0.012 -23.693
125 HD23 LEU 16 2HD2 LEU 16 1.510 -0.362 -22.080
126 H TRP 17 H TRP 17 2.179 -4.860 -26.593
127 HA TRP 17 HA TRP 17 -0.609 -4.470 -27.350
128 HB2 TRP 17 2HB TRP 17 1.168 -3.805 -28.931
129 HB3 TRP 17 1HB TRP 17 1.706 -5.480 -29.012
130 HD1 TRP 17 HD TRP 17 -1.208 -3.213 -30.036
131 HE1 TRP 17 1HE TRP 17 -2.514 -4.347 -31.944
132 HE3 TRP 17 3HE TRP 17 1.206 -7.734 -30.101
133 HZ2 TRP 17 2HZ TRP 17 -2.511 -6.823 -33.293
134 HZ3 TRP 17 3HZ TRP 17 0.484 -9.427 -31.737
135 HH2 TRP 17 HH TRP 17 -1.339 -8.976 -33.298
136 H ALA 18 H ALA 18 1.748 -7.119 -27.145
137 HA ALA 18 HA ALA 18 -0.268 -9.091 -27.781
138 HB1 ALA 18 3HB ALA 18 2.574 -9.518 -26.863
139 HB2 ALA 18 1HB ALA 18 2.060 -9.330 -28.542
140 HB3 ALA 18 2HB ALA 18 1.510 -10.717 -27.601
141 H LEU 19 H LEU 19 1.550 -8.129 -24.898
142 HA LEU 19 HA LEU 19 0.118 -10.098 -23.294
143 HB2 LEU 19 2HB LEU 19 2.247 -8.082 -22.550
144 HB3 LEU 19 1HB LEU 19 1.553 -9.257 -21.452
145 HG LEU 19 HG LEU 19 3.167 -9.932 -23.916
146 HD11 LEU 19 1HD1 LEU 19 4.523 -8.896 -22.166
147 HD12 LEU 19 2HD1 LEU 19 4.893 -10.613 -22.336
148 HD13 LEU 19 3HD1 LEU 19 3.894 -10.056 -20.993
149 HD21 LEU 19 3HD2 LEU 19 2.154 -11.702 -21.698
150 HD22 LEU 19 1HD2 LEU 19 3.120 -12.201 -23.087
151 HD23 LEU 19 2HD2 LEU 19 1.472 -11.617 -23.323
152 H SER 20 H SER 20 -1.251 -7.819 -24.572
153 HA SER 20 HA SER 20 -1.907 -6.018 -22.414
154 HB2 SER 20 2HB SER 20 -1.734 -5.372 -24.871
155 HB3 SER 20 1HB SER 20 -3.248 -6.245 -25.105
156 HG SER 20 HG SER 20 -2.783 -3.783 -23.996
157 H LEU 21 H LEU 21 -4.390 -5.585 -22.197
158 HA LEU 21 HA LEU 21 -5.790 -8.161 -21.951
159 HB2 LEU 21 2HB LEU 21 -5.861 -5.783 -20.098
160 HB3 LEU 21 1HB LEU 21 -7.038 -7.077 -20.036
161 HG LEU 21 HG LEU 21 -5.004 -8.630 -19.706
162 HD11 LEU 21 1HD1 LEU 21 -3.104 -7.566 -18.585
163 HD12 LEU 21 2HD1 LEU 21 -3.786 -5.982 -18.953
164 HD13 LEU 21 3HD1 LEU 21 -3.267 -7.043 -20.263
165 HD21 LEU 21 3HD2 LEU 21 -5.845 -6.692 -17.555
166 HD22 LEU 21 1HD2 LEU 21 -5.055 -8.245 -17.294
167 HD23 LEU 21 2HD2 LEU 21 -6.672 -8.187 -17.993
168 H ALA 22 H ALA 22 -8.015 -8.169 -22.426
169 HA ALA 22 HA ALA 22 -8.924 -5.785 -23.908
170 HB1 ALA 22 3HB ALA 22 -10.231 -7.277 -25.322
171 HB2 ALA 22 1HB ALA 22 -9.664 -8.669 -24.402
172 HB3 ALA 22 2HB ALA 22 -8.525 -7.720 -25.360
173 H HIS 23 H HIS 23 -9.288 -7.312 -21.094
174 HA HIS 23 HA HIS 23 -11.723 -6.040 -20.464
175 HB2 HIS 23 2HB HIS 23 -13.188 -7.885 -20.083
176 HB3 HIS 23 1HB HIS 23 -12.578 -8.046 -21.722
177 HD1 HIS 23 1HD HIS 23 -10.290 -9.761 -21.739
178 HD2 HIS 23 2HD HIS 23 -13.164 -10.212 -18.759
179 HE1 HIS 23 1HE HIS 23 -9.995 -12.095 -20.853
180 HE2 HIS 23 2HE HIS 23 -11.890 -12.416 -19.226
181 H ALA 24 H ALA 24 -11.806 -5.655 -18.337
182 HA ALA 24 HA ALA 24 -9.691 -6.719 -16.669
183 HB1 ALA 24 3HB ALA 24 -10.454 -5.089 -15.016
184 HB2 ALA 24 1HB ALA 24 -11.840 -4.693 -16.031
185 HB3 ALA 24 2HB ALA 24 -10.207 -4.332 -16.589
186 H GLN 25 H GLN 25 -13.193 -6.872 -16.917
187 HA GLN 25 HA GLN 25 -13.274 -8.807 -14.717
188 HB2 GLN 25 2HB GLN 25 -14.725 -6.869 -14.414
189 HB3 GLN 25 1HB GLN 25 -15.465 -7.149 -15.986
190 HG2 GLN 25 2HG GLN 25 -16.386 -9.256 -15.174
191 HG3 GLN 25 1HG GLN 25 -15.624 -9.001 -13.608
192 HE21 GLN 25 1HE2 GLN 25 -18.137 -7.991 -15.761
193 HE22 GLN 25 2HE2 GLN 25 -19.056 -7.079 -14.607
Start of MODEL 18
1 H1 GLU 1 1HT GLU 1 4.819 4.678 -17.338
2 H2 GLU 1 2HT GLU 1 3.470 5.659 -17.658
3 H3 GLU 1 3HT GLU 1 4.275 5.780 -16.165
4 HA GLU 1 HA GLU 1 5.413 6.488 -18.821
5 HB2 GLU 1 2HB GLU 1 5.164 8.482 -16.633
6 HB3 GLU 1 1HB GLU 1 5.019 8.696 -18.366
7 HG2 GLU 1 2HG GLU 1 2.920 7.605 -16.507
8 HG3 GLU 1 1HG GLU 1 2.918 9.173 -17.308
9 H PHE 2 H PHE 2 7.336 5.337 -18.516
10 HA PHE 2 HA PHE 2 8.926 5.796 -16.159
11 HB2 PHE 2 2HB PHE 2 9.040 3.678 -17.551
12 HB3 PHE 2 1HB PHE 2 9.858 4.623 -18.790
13 HD1 PHE 2 1HD PHE 2 10.113 3.364 -15.337
14 HD2 PHE 2 2HD PHE 2 12.158 5.157 -18.612
15 HE1 PHE 2 1HE PHE 2 12.258 2.952 -14.215
16 HE2 PHE 2 2HE PHE 2 14.312 4.746 -17.491
17 HZ PHE 2 HZ PHE 2 14.363 3.639 -15.291
18 H CYS 3 H CYS 3 9.813 6.345 -19.570
19 HA CYS 3 HA CYS 3 11.241 8.733 -18.779
20 HB2 CYS 3 2HB CYS 3 10.979 8.027 -21.651
21 HB3 CYS 3 1HB CYS 3 12.384 8.610 -20.765
22 H LEU 4 H LEU 4 8.190 8.313 -18.999
23 HA LEU 4 HA LEU 4 6.373 9.611 -19.369
24 HB2 LEU 4 2HB LEU 4 8.362 11.705 -20.246
25 HB3 LEU 4 1HB LEU 4 6.654 11.985 -19.962
26 HG LEU 4 HG LEU 4 8.645 11.115 -17.861
27 HD11 LEU 4 1HD1 LEU 4 8.389 13.373 -16.979
28 HD12 LEU 4 2HD1 LEU 4 7.351 13.792 -18.341
29 HD13 LEU 4 3HD1 LEU 4 9.047 13.395 -18.615
30 HD21 LEU 4 3HD2 LEU 4 6.868 11.555 -16.268
31 HD22 LEU 4 1HD2 LEU 4 6.357 10.328 -17.427
32 HD23 LEU 4 2HD2 LEU 4 5.772 11.986 -17.582
33 H ASN 5 H ASN 5 8.414 8.581 -21.768
34 HA ASN 5 HA ASN 5 6.234 8.777 -23.696
35 HB2 ASN 5 2HB ASN 5 7.653 10.675 -24.280
36 HB3 ASN 5 1HB ASN 5 9.064 9.626 -24.346
37 HD21 ASN 5 1HD2 ASN 5 9.176 8.043 -26.042
38 HD22 ASN 5 2HD2 ASN 5 8.278 8.258 -27.503
39 H CYS 6 H CYS 6 9.547 7.572 -23.205
40 HA CYS 6 HA CYS 6 9.727 5.635 -25.118
41 HB2 CYS 6 2HB CYS 6 11.407 4.565 -23.763
42 HB3 CYS 6 1HB CYS 6 11.512 6.298 -23.466
43 H VAL 7 H VAL 7 8.061 5.419 -22.058
44 HA VAL 7 HA VAL 7 7.186 2.711 -22.692
45 HB VAL 7 HB VAL 7 7.151 4.331 -20.143
46 HG11 VAL 7 1HG1 VAL 7 6.110 2.393 -19.039
47 HG12 VAL 7 2HG1 VAL 7 5.945 1.590 -20.601
48 HG13 VAL 7 3HG1 VAL 7 5.052 3.074 -20.274
49 HG21 VAL 7 3HG2 VAL 7 8.473 1.718 -20.886
50 HG22 VAL 7 1HG2 VAL 7 8.560 2.497 -19.305
51 HG23 VAL 7 2HG2 VAL 7 9.275 3.278 -20.716
52 H SER 8 H SER 8 6.013 5.908 -21.920
53 HA SER 8 HA SER 8 3.281 5.449 -21.782
54 HB2 SER 8 2HB SER 8 4.652 7.931 -22.821
55 HB3 SER 8 1HB SER 8 3.030 7.829 -22.136
56 HG SER 8 HG SER 8 3.852 7.959 -20.243
57 H HIS 9 H HIS 9 4.900 6.956 -24.583
58 HA HIS 9 HA HIS 9 2.545 6.428 -26.195
59 HB2 HIS 9 2HB HIS 9 5.109 7.900 -26.837
60 HB3 HIS 9 1HB HIS 9 3.728 7.773 -27.924
61 HD1 HIS 9 1HD HIS 9 5.081 10.345 -26.284
62 HD2 HIS 9 2HD HIS 9 1.355 8.554 -25.798
63 HE1 HIS 9 1HE HIS 9 3.626 12.082 -25.192
64 HE2 HIS 9 2HE HIS 9 1.396 10.961 -24.839
65 H THR 10 H THR 10 5.516 4.944 -25.573
66 HA THR 10 HA THR 10 5.480 3.545 -28.157
67 HB THR 10 HB THR 10 7.811 3.534 -26.263
68 HG1 THR 10 1HG THR 10 7.098 5.512 -28.195
69 HG21 THR 10 3HG2 THR 10 9.104 3.127 -28.301
70 HG22 THR 10 1HG2 THR 10 7.634 3.256 -29.268
71 HG23 THR 10 2HG2 THR 10 7.827 1.924 -28.128
72 H ALA 11 H ALA 11 3.953 3.153 -25.612
73 HA ALA 11 HA ALA 11 4.607 0.808 -24.291
74 HB1 ALA 11 3HB ALA 11 1.850 1.684 -25.147
75 HB2 ALA 11 1HB ALA 11 2.694 2.210 -23.688
76 HB3 ALA 11 2HB ALA 11 2.225 0.520 -23.878
77 H SER 12 H SER 12 3.735 1.237 -27.558
78 HA SER 12 HA SER 12 2.737 -1.193 -28.394
79 HB2 SER 12 2HB SER 12 3.340 1.014 -29.651
80 HB3 SER 12 1HB SER 12 4.895 0.237 -29.908
81 HG SER 12 HG SER 12 3.873 -0.526 -31.597
82 H TYR 13 H TYR 13 6.023 -0.230 -27.675
83 HA TYR 13 HA TYR 13 7.071 -2.859 -28.405
84 HB2 TYR 13 2HB TYR 13 8.275 -1.135 -29.460
85 HB3 TYR 13 1HB TYR 13 8.274 -0.129 -28.021
86 HD1 TYR 13 2HD TYR 13 9.492 -3.500 -29.040
87 HD2 TYR 13 1HD TYR 13 10.349 0.124 -26.975
88 HE1 TYR 13 2HE TYR 13 11.724 -4.352 -28.490
89 HE2 TYR 13 1HE TYR 13 12.588 -0.733 -26.408
90 HH TYR 13 HH TYR 13 13.888 -3.579 -27.847
91 H LEU 14 H LEU 14 6.416 -0.840 -25.667
92 HA LEU 14 HA LEU 14 8.139 -2.382 -23.909
93 HB2 LEU 14 2HB LEU 14 6.555 0.118 -23.652
94 HB3 LEU 14 1HB LEU 14 6.896 -0.785 -22.186
95 HG LEU 14 HG LEU 14 8.534 0.989 -22.525
96 HD11 LEU 14 1HD1 LEU 14 10.584 -0.331 -22.388
97 HD12 LEU 14 2HD1 LEU 14 9.715 -1.745 -22.985
98 HD13 LEU 14 3HD1 LEU 14 9.291 -1.040 -21.424
99 HD21 LEU 14 3HD2 LEU 14 10.065 0.946 -24.424
100 HD22 LEU 14 1HD2 LEU 14 8.395 1.169 -24.940
101 HD23 LEU 14 2HD2 LEU 14 9.168 -0.409 -25.112
102 H ARG 15 H ARG 15 5.032 -2.646 -25.098
103 HA ARG 15 HA ARG 15 4.327 -4.465 -22.893
104 HB2 ARG 15 2HB ARG 15 2.520 -2.665 -24.496
105 HB3 ARG 15 1HB ARG 15 1.919 -3.986 -23.508
106 HG2 ARG 15 2HG ARG 15 3.433 -1.572 -22.535
107 HG3 ARG 15 1HG ARG 15 1.709 -1.884 -22.338
108 HD2 ARG 15 2HD ARG 15 2.523 -4.073 -21.178
109 HD3 ARG 15 1HD ARG 15 4.039 -3.189 -21.000
110 HE ARG 15 HE ARG 15 1.831 -1.613 -20.126
111 HH11 ARG 15 1HH1 ARG 15 3.901 -4.286 -19.151
112 HH12 ARG 15 2HH1 ARG 15 3.600 -4.056 -17.444
113 HH21 ARG 15 1HH2 ARG 15 1.398 -1.343 -17.895
114 HH22 ARG 15 2HH2 ARG 15 2.144 -2.423 -16.743
115 H LEU 16 H LEU 16 2.703 -6.155 -23.619
116 HA LEU 16 HA LEU 16 3.694 -7.372 -26.036
117 HB2 LEU 16 2HB LEU 16 1.710 -8.213 -23.944
118 HB3 LEU 16 1HB LEU 16 1.815 -9.082 -25.462
119 HG LEU 16 HG LEU 16 3.119 -10.246 -23.803
120 HD11 LEU 16 1HD1 LEU 16 3.996 -10.258 -26.056
121 HD12 LEU 16 2HD1 LEU 16 5.313 -10.251 -24.883
122 HD13 LEU 16 3HD1 LEU 16 4.886 -8.769 -25.740
123 HD21 LEU 16 3HD2 LEU 16 4.603 -7.648 -23.427
124 HD22 LEU 16 1HD2 LEU 16 5.067 -9.199 -22.728
125 HD23 LEU 16 2HD2 LEU 16 3.551 -8.435 -22.251
126 H TRP 17 H TRP 17 3.013 -5.468 -27.297
127 HA TRP 17 HA TRP 17 0.215 -5.751 -28.172
128 HB2 TRP 17 2HB TRP 17 0.804 -3.522 -27.323
129 HB3 TRP 17 1HB TRP 17 2.119 -3.408 -28.485
130 HD1 TRP 17 HD TRP 17 1.454 -2.731 -30.993
131 HE1 TRP 17 1HE TRP 17 -0.719 -1.827 -32.051
132 HE3 TRP 17 3HE TRP 17 -1.753 -3.678 -27.137
133 HZ2 TRP 17 2HZ TRP 17 -3.442 -1.569 -31.328
134 HZ3 TRP 17 3HZ TRP 17 -4.124 -3.078 -27.398
135 HH2 TRP 17 HH TRP 17 -4.950 -2.046 -29.450
136 H ALA 18 H ALA 18 3.510 -6.133 -29.079
137 HA ALA 18 HA ALA 18 2.949 -6.151 -31.945
138 HB1 ALA 18 3HB ALA 18 5.031 -5.102 -31.197
139 HB2 ALA 18 1HB ALA 18 5.358 -6.504 -32.219
140 HB3 ALA 18 2HB ALA 18 5.540 -6.627 -30.469
141 H LEU 19 H LEU 19 2.501 -7.953 -33.044
142 HA LEU 19 HA LEU 19 2.185 -10.126 -33.592
143 HB2 LEU 19 2HB LEU 19 4.521 -10.485 -31.726
144 HB3 LEU 19 1HB LEU 19 3.723 -11.862 -32.456
145 HG LEU 19 HG LEU 19 4.245 -10.825 -34.713
146 HD11 LEU 19 1HD1 LEU 19 4.677 -8.547 -33.989
147 HD12 LEU 19 2HD1 LEU 19 6.092 -9.224 -34.794
148 HD13 LEU 19 3HD1 LEU 19 6.059 -9.096 -33.035
149 HD21 LEU 19 3HD2 LEU 19 5.478 -12.721 -33.834
150 HD22 LEU 19 1HD2 LEU 19 6.533 -11.634 -32.925
151 HD23 LEU 19 2HD2 LEU 19 6.565 -11.627 -34.687
152 H SER 20 H SER 20 1.135 -8.784 -30.998
153 HA SER 20 HA SER 20 0.215 -11.204 -29.634
154 HB2 SER 20 2HB SER 20 0.262 -8.341 -28.681
155 HB3 SER 20 1HB SER 20 -0.224 -9.738 -27.720
156 HG SER 20 HG SER 20 2.320 -9.621 -28.951
157 H LEU 21 H LEU 21 -1.824 -11.813 -29.980
158 HA LEU 21 HA LEU 21 -3.671 -9.957 -31.250
159 HB2 LEU 21 2HB LEU 21 -3.403 -12.224 -32.160
160 HB3 LEU 21 1HB LEU 21 -3.920 -12.900 -30.628
161 HG LEU 21 HG LEU 21 -6.146 -11.849 -30.942
162 HD11 LEU 21 1HD1 LEU 21 -6.747 -10.944 -33.120
163 HD12 LEU 21 2HD1 LEU 21 -5.086 -11.140 -33.680
164 HD13 LEU 21 3HD1 LEU 21 -5.452 -10.003 -32.384
165 HD21 LEU 21 3HD2 LEU 21 -5.235 -13.647 -33.186
166 HD22 LEU 21 1HD2 LEU 21 -6.903 -13.405 -32.665
167 HD23 LEU 21 2HD2 LEU 21 -5.742 -14.168 -31.581
168 H ALA 22 H ALA 22 -3.525 -12.081 -28.390
169 HA ALA 22 HA ALA 22 -5.145 -10.269 -26.864
170 HB1 ALA 22 3HB ALA 22 -6.378 -12.929 -27.571
171 HB2 ALA 22 1HB ALA 22 -6.871 -11.375 -28.243
172 HB3 ALA 22 2HB ALA 22 -7.066 -11.692 -26.517
173 H HIS 23 H HIS 23 -2.562 -11.511 -26.494
174 HA HIS 23 HA HIS 23 -3.216 -12.979 -24.052
175 HB2 HIS 23 2HB HIS 23 -1.221 -14.250 -24.154
176 HB3 HIS 23 1HB HIS 23 -1.905 -14.305 -25.769
177 HD1 HIS 23 1HD HIS 23 1.170 -13.559 -23.945
178 HD2 HIS 23 2HD HIS 23 -0.455 -12.569 -27.652
179 HE1 HIS 23 1HE HIS 23 3.075 -12.681 -25.315
180 HE2 HIS 23 2HE HIS 23 2.127 -12.318 -27.615
181 H ALA 24 H ALA 24 -3.003 -11.803 -22.301
182 HA ALA 24 HA ALA 24 -1.297 -9.495 -22.180
183 HB1 ALA 24 3HB ALA 24 -3.355 -9.595 -20.872
184 HB2 ALA 24 1HB ALA 24 -1.955 -9.393 -19.820
185 HB3 ALA 24 2HB ALA 24 -2.727 -10.973 -19.967
186 H GLN 25 H GLN 25 -1.197 -12.792 -20.957
187 HA GLN 25 HA GLN 25 1.683 -12.460 -20.506
188 HB2 GLN 25 2HB GLN 25 0.457 -12.962 -18.440
189 HB3 GLN 25 1HB GLN 25 -0.266 -14.368 -19.208
190 HG2 GLN 25 2HG GLN 25 1.973 -15.358 -19.450
191 HG3 GLN 25 1HG GLN 25 2.658 -13.965 -18.614
192 HE21 GLN 25 1HE2 GLN 25 0.763 -16.850 -18.302
193 HE22 GLN 25 2HE2 GLN 25 0.843 -16.957 -16.580
Start of MODEL 19
1 H1 GLU 1 1HT GLU 1 -1.112 1.264 -35.167
2 H2 GLU 1 2HT GLU 1 -1.488 1.362 -33.517
3 H3 GLU 1 3HT GLU 1 -0.060 0.590 -34.012
4 HA GLU 1 HA GLU 1 0.454 2.753 -33.139
5 HB2 GLU 1 2HB GLU 1 0.666 2.807 -36.153
6 HB3 GLU 1 1HB GLU 1 1.717 3.619 -34.998
7 HG2 GLU 1 2HG GLU 1 2.525 1.469 -34.196
8 HG3 GLU 1 1HG GLU 1 1.436 0.640 -35.309
9 H PHE 2 H PHE 2 -1.339 3.862 -32.367
10 HA PHE 2 HA PHE 2 -3.187 5.197 -34.037
11 HB2 PHE 2 2HB PHE 2 -3.596 4.619 -31.650
12 HB3 PHE 2 1HB PHE 2 -2.449 5.872 -31.184
13 HD1 PHE 2 1HD PHE 2 -5.579 5.380 -33.138
14 HD2 PHE 2 2HD PHE 2 -3.227 8.015 -30.770
15 HE1 PHE 2 1HE PHE 2 -7.406 7.023 -33.154
16 HE2 PHE 2 2HE PHE 2 -5.053 9.665 -30.785
17 HZ PHE 2 HZ PHE 2 -7.149 9.166 -31.972
18 H CYS 3 H CYS 3 -0.653 6.660 -31.975
19 HA CYS 3 HA CYS 3 -0.625 8.959 -33.757
20 HB2 CYS 3 2HB CYS 3 1.171 8.921 -31.413
21 HB3 CYS 3 1HB CYS 3 0.118 10.203 -32.003
22 H LEU 4 H LEU 4 0.631 6.215 -34.201
23 HA LEU 4 HA LEU 4 2.441 5.333 -35.241
24 HB2 LEU 4 2HB LEU 4 2.239 7.375 -36.645
25 HB3 LEU 4 1HB LEU 4 3.366 8.183 -35.570
26 HG LEU 4 HG LEU 4 5.101 6.520 -36.183
27 HD11 LEU 4 1HD1 LEU 4 3.619 4.670 -36.772
28 HD12 LEU 4 2HD1 LEU 4 4.745 5.038 -38.078
29 HD13 LEU 4 3HD1 LEU 4 3.065 5.562 -38.187
30 HD21 LEU 4 3HD2 LEU 4 5.485 7.366 -38.465
31 HD22 LEU 4 1HD2 LEU 4 5.029 8.647 -37.340
32 HD23 LEU 4 2HD2 LEU 4 3.846 8.014 -38.484
33 H ASN 5 H ASN 5 2.694 7.073 -32.409
34 HA ASN 5 HA ASN 5 5.248 5.776 -31.839
35 HB2 ASN 5 2HB ASN 5 5.754 8.129 -32.297
36 HB3 ASN 5 1HB ASN 5 4.588 8.627 -31.069
37 HD21 ASN 5 1HD2 ASN 5 5.007 7.985 -28.856
38 HD22 ASN 5 2HD2 ASN 5 6.638 7.794 -28.329
39 H CYS 6 H CYS 6 2.626 7.671 -30.366
40 HA CYS 6 HA CYS 6 2.867 7.030 -27.730
41 HB2 CYS 6 2HB CYS 6 0.488 7.474 -27.500
42 HB3 CYS 6 1HB CYS 6 1.179 8.574 -28.690
43 H VAL 7 H VAL 7 1.329 5.106 -30.214
44 HA VAL 7 HA VAL 7 0.948 2.899 -28.370
45 HB VAL 7 HB VAL 7 0.116 3.360 -31.245
46 HG11 VAL 7 1HG1 VAL 7 -1.029 1.172 -31.139
47 HG12 VAL 7 2HG1 VAL 7 -0.283 0.858 -29.570
48 HG13 VAL 7 3HG1 VAL 7 0.721 0.988 -31.015
49 HG21 VAL 7 3HG2 VAL 7 -1.186 4.467 -29.508
50 HG22 VAL 7 1HG2 VAL 7 -1.449 2.921 -28.703
51 HG23 VAL 7 2HG2 VAL 7 -2.128 3.207 -30.307
52 H SER 8 H SER 8 2.614 3.609 -31.417
53 HA SER 8 HA SER 8 3.746 1.092 -31.792
54 HB2 SER 8 2HB SER 8 3.538 2.793 -33.563
55 HB3 SER 8 1HB SER 8 4.769 3.766 -32.767
56 HG SER 8 HG SER 8 5.133 1.875 -34.551
57 H HIS 9 H HIS 9 5.665 3.997 -31.057
58 HA HIS 9 HA HIS 9 7.796 2.291 -30.065
59 HB2 HIS 9 2HB HIS 9 7.726 5.278 -30.552
60 HB3 HIS 9 1HB HIS 9 9.162 4.331 -30.163
61 HD1 HIS 9 1HD HIS 9 7.601 5.792 -32.986
62 HD2 HIS 9 2HD HIS 9 9.376 2.098 -32.252
63 HE1 HIS 9 1HE HIS 9 8.137 4.832 -35.243
64 HE2 HIS 9 2HE HIS 9 9.107 2.552 -34.786
65 H THR 10 H THR 10 5.476 2.507 -28.383
66 HA THR 10 HA THR 10 6.770 3.582 -25.992
67 HB THR 10 HB THR 10 3.941 4.237 -26.827
68 HG1 THR 10 1HG THR 10 6.277 5.443 -27.314
69 HG21 THR 10 3HG2 THR 10 4.062 3.927 -24.420
70 HG22 THR 10 1HG2 THR 10 3.896 5.646 -24.784
71 HG23 THR 10 2HG2 THR 10 5.466 4.988 -24.324
72 H ALA 11 H ALA 11 3.658 2.168 -26.986
73 HA ALA 11 HA ALA 11 3.670 0.552 -24.548
74 HB1 ALA 11 3HB ALA 11 1.315 0.152 -25.042
75 HB2 ALA 11 1HB ALA 11 1.489 0.986 -26.584
76 HB3 ALA 11 2HB ALA 11 1.674 1.880 -25.076
77 H SER 12 H SER 12 3.430 0.246 -28.027
78 HA SER 12 HA SER 12 3.210 -2.560 -28.143
79 HB2 SER 12 2HB SER 12 2.684 -0.838 -29.945
80 HB3 SER 12 1HB SER 12 4.418 -0.767 -30.248
81 HG SER 12 HG SER 12 3.949 -2.380 -31.561
82 H TYR 13 H TYR 13 5.955 -0.335 -28.349
83 HA TYR 13 HA TYR 13 7.986 -2.186 -28.802
84 HB2 TYR 13 2HB TYR 13 8.414 0.164 -29.057
85 HB3 TYR 13 1HB TYR 13 8.022 0.474 -27.373
86 HD1 TYR 13 1HD TYR 13 10.479 -1.281 -29.557
87 HD2 TYR 13 2HD TYR 13 9.725 0.481 -25.750
88 HE1 TYR 13 1HE TYR 13 12.854 -1.528 -28.973
89 HE2 TYR 13 2HE TYR 13 12.096 0.234 -25.167
90 HH TYR 13 HH TYR 13 14.499 -0.465 -27.433
91 H LEU 14 H LEU 14 6.346 -1.336 -25.821
92 HA LEU 14 HA LEU 14 8.172 -3.011 -24.266
93 HB2 LEU 14 2HB LEU 14 5.777 -1.376 -23.417
94 HB3 LEU 14 1HB LEU 14 6.799 -2.293 -22.328
95 HG LEU 14 HG LEU 14 7.677 0.070 -23.993
96 HD11 LEU 14 1HD1 LEU 14 7.217 -0.218 -21.030
97 HD12 LEU 14 2HD1 LEU 14 6.220 0.706 -22.152
98 HD13 LEU 14 3HD1 LEU 14 7.883 1.204 -21.832
99 HD21 LEU 14 3HD2 LEU 14 9.469 -1.559 -23.692
100 HD22 LEU 14 1HD2 LEU 14 9.184 -1.558 -21.952
101 HD23 LEU 14 2HD2 LEU 14 9.774 -0.099 -22.749
102 H ARG 15 H ARG 15 5.742 -3.585 -26.273
103 HA ARG 15 HA ARG 15 4.251 -5.227 -26.655
104 HB2 ARG 15 2HB ARG 15 6.112 -6.512 -24.712
105 HB3 ARG 15 1HB ARG 15 4.637 -7.361 -25.168
106 HG2 ARG 15 2HG ARG 15 5.499 -7.959 -27.117
107 HG3 ARG 15 1HG ARG 15 5.987 -6.306 -27.487
108 HD2 ARG 15 2HD ARG 15 7.538 -8.115 -25.658
109 HD3 ARG 15 1HD ARG 15 7.838 -8.018 -27.391
110 HE ARG 15 HE ARG 15 8.181 -5.526 -26.894
111 HH11 ARG 15 1HH1 ARG 15 9.013 -8.177 -24.756
112 HH12 ARG 15 2HH1 ARG 15 10.227 -7.267 -23.895
113 HH21 ARG 15 1HH2 ARG 15 9.792 -4.343 -25.779
114 HH22 ARG 15 2HH2 ARG 15 10.701 -5.101 -24.499
115 H LEU 16 H LEU 16 3.900 -3.250 -24.332
116 HA LEU 16 HA LEU 16 1.998 -4.625 -22.631
117 HB2 LEU 16 2HB LEU 16 3.548 -2.810 -21.839
118 HB3 LEU 16 1HB LEU 16 2.607 -1.670 -22.782
119 HG LEU 16 HG LEU 16 0.606 -2.269 -21.425
120 HD11 LEU 16 1HD1 LEU 16 2.625 -3.841 -19.831
121 HD12 LEU 16 2HD1 LEU 16 1.245 -4.487 -20.719
122 HD13 LEU 16 3HD1 LEU 16 0.985 -3.473 -19.299
123 HD21 LEU 16 3HD2 LEU 16 3.000 -1.246 -19.893
124 HD22 LEU 16 1HD2 LEU 16 1.316 -1.065 -19.405
125 HD23 LEU 16 2HD2 LEU 16 1.893 -0.286 -20.878
126 H TRP 17 H TRP 17 1.844 -3.806 -25.665
127 HA TRP 17 HA TRP 17 -1.033 -3.226 -25.568
128 HB2 TRP 17 2HB TRP 17 0.227 -1.214 -26.284
129 HB3 TRP 17 1HB TRP 17 0.944 -2.147 -27.591
130 HD1 TRP 17 HD TRP 17 -0.431 -2.444 -29.776
131 HE1 TRP 17 1HE TRP 17 -2.684 -1.526 -30.607
132 HE3 TRP 17 3HE TRP 17 -2.224 -0.539 -25.368
133 HZ2 TRP 17 2HZ TRP 17 -4.915 -0.168 -29.554
134 HZ3 TRP 17 3HZ TRP 17 -4.427 0.553 -25.374
135 HH2 TRP 17 HH TRP 17 -5.744 0.733 -27.422
136 H ALA 18 H ALA 18 1.633 -4.974 -26.874
137 HA ALA 18 HA ALA 18 0.176 -6.036 -29.130
138 HB1 ALA 18 3HB ALA 18 2.947 -6.723 -28.154
139 HB2 ALA 18 1HB ALA 18 2.554 -5.508 -29.371
140 HB3 ALA 18 2HB ALA 18 2.227 -7.210 -29.687
141 H LEU 19 H LEU 19 1.610 -7.302 -26.134
142 HA LEU 19 HA LEU 19 0.143 -9.807 -26.554
143 HB2 LEU 19 2HB LEU 19 2.471 -9.062 -24.805
144 HB3 LEU 19 1HB LEU 19 1.546 -10.519 -24.507
145 HG LEU 19 HG LEU 19 3.454 -11.177 -25.735
146 HD11 LEU 19 1HD1 LEU 19 1.395 -12.236 -26.481
147 HD12 LEU 19 2HD1 LEU 19 2.528 -12.053 -27.821
148 HD13 LEU 19 3HD1 LEU 19 1.154 -10.957 -27.669
149 HD21 LEU 19 3HD2 LEU 19 4.126 -10.181 -27.853
150 HD22 LEU 19 1HD2 LEU 19 4.137 -8.992 -26.552
151 HD23 LEU 19 2HD2 LEU 19 2.815 -9.006 -27.721
152 H SER 20 H SER 20 -0.814 -7.096 -25.579
153 HA SER 20 HA SER 20 -1.956 -7.939 -23.011
154 HB2 SER 20 2HB SER 20 -1.560 -5.150 -24.120
155 HB3 SER 20 1HB SER 20 -2.274 -5.534 -22.552
156 HG SER 20 HG SER 20 0.205 -6.660 -23.066
157 H LEU 21 H LEU 21 -4.109 -6.262 -22.814
158 HA LEU 21 HA LEU 21 -5.804 -7.352 -24.959
159 HB2 LEU 21 2HB LEU 21 -6.538 -6.355 -22.210
160 HB3 LEU 21 1HB LEU 21 -7.669 -6.994 -23.389
161 HG LEU 21 HG LEU 21 -5.415 -8.562 -22.118
162 HD11 LEU 21 1HD1 LEU 21 -8.389 -8.652 -21.627
163 HD12 LEU 21 2HD1 LEU 21 -7.183 -7.989 -20.522
164 HD13 LEU 21 3HD1 LEU 21 -7.182 -9.712 -20.902
165 HD21 LEU 21 3HD2 LEU 21 -7.665 -9.424 -23.935
166 HD22 LEU 21 1HD2 LEU 21 -6.512 -10.500 -23.149
167 HD23 LEU 21 2HD2 LEU 21 -5.956 -9.347 -24.364
168 H ALA 22 H ALA 22 -6.791 -6.082 -26.368
169 HA ALA 22 HA ALA 22 -6.722 -3.179 -25.933
170 HB1 ALA 22 3HB ALA 22 -7.190 -2.969 -28.307
171 HB2 ALA 22 1HB ALA 22 -7.385 -4.715 -28.447
172 HB3 ALA 22 2HB ALA 22 -5.806 -4.034 -28.055
173 H HIS 23 H HIS 23 -8.813 -5.911 -26.193
174 HA HIS 23 HA HIS 23 -10.953 -4.515 -24.973
175 HB2 HIS 23 2HB HIS 23 -12.623 -4.662 -26.695
176 HB3 HIS 23 1HB HIS 23 -11.253 -3.777 -27.346
177 HD1 HIS 23 1HD HIS 23 -13.552 -6.382 -28.183
178 HD2 HIS 23 2HD HIS 23 -9.543 -5.604 -29.001
179 HE1 HIS 23 1HE HIS 23 -12.983 -7.777 -30.195
180 HE2 HIS 23 2HE HIS 23 -10.620 -7.130 -30.799
181 H ALA 24 H ALA 24 -12.326 -5.924 -23.954
182 HA ALA 24 HA ALA 24 -11.601 -8.744 -24.118
183 HB1 ALA 24 3HB ALA 24 -13.433 -7.330 -22.187
184 HB2 ALA 24 1HB ALA 24 -11.729 -7.689 -21.912
185 HB3 ALA 24 2HB ALA 24 -12.894 -9.006 -22.072
186 H GLN 25 H GLN 25 -14.223 -6.584 -24.841
187 HA GLN 25 HA GLN 25 -15.885 -8.836 -25.723
188 HB2 GLN 25 2HB GLN 25 -17.000 -7.338 -24.172
189 HB3 GLN 25 1HB GLN 25 -16.591 -5.949 -25.168
190 HG2 GLN 25 2HG GLN 25 -18.893 -6.489 -25.512
191 HG3 GLN 25 1HG GLN 25 -18.003 -6.906 -26.976
192 HE21 GLN 25 1HE2 GLN 25 -17.687 -9.092 -27.487
193 HE22 GLN 25 2HE2 GLN 25 -18.662 -10.342 -26.773
Start of MODEL 20
1 H1 GLU 1 1HT GLU 1 14.475 3.663 -19.626
2 H2 GLU 1 2HT GLU 1 12.896 4.117 -19.202
3 H3 GLU 1 3HT GLU 1 14.152 5.258 -19.146
4 HA GLU 1 HA GLU 1 13.098 3.947 -21.591
5 HB2 GLU 1 2HB GLU 1 12.740 6.674 -20.393
6 HB3 GLU 1 1HB GLU 1 12.569 6.408 -22.123
7 HG2 GLU 1 2HG GLU 1 10.989 4.458 -21.237
8 HG3 GLU 1 1HG GLU 1 10.828 5.582 -19.888
9 H PHE 2 H PHE 2 14.466 3.887 -23.221
10 HA PHE 2 HA PHE 2 16.935 5.370 -23.146
11 HB2 PHE 2 2HB PHE 2 16.873 3.122 -24.111
12 HB3 PHE 2 1HB PHE 2 15.706 3.653 -25.313
13 HD1 PHE 2 1HD PHE 2 19.204 3.970 -24.196
14 HD2 PHE 2 2HD PHE 2 16.408 4.750 -27.311
15 HE1 PHE 2 1HE PHE 2 21.054 4.544 -25.710
16 HE2 PHE 2 2HE PHE 2 18.255 5.325 -28.829
17 HZ PHE 2 HZ PHE 2 20.582 5.223 -28.028
18 H CYS 3 H CYS 3 13.790 5.633 -24.634
19 HA CYS 3 HA CYS 3 14.730 7.878 -26.228
20 HB2 CYS 3 2HB CYS 3 13.716 6.149 -27.544
21 HB3 CYS 3 1HB CYS 3 12.289 6.160 -26.516
22 H LEU 4 H LEU 4 12.918 7.254 -23.441
23 HA LEU 4 HA LEU 4 11.549 8.503 -22.108
24 HB2 LEU 4 2HB LEU 4 12.733 10.791 -23.689
25 HB3 LEU 4 1HB LEU 4 11.781 10.970 -22.226
26 HG LEU 4 HG LEU 4 14.445 9.554 -22.394
27 HD11 LEU 4 1HD1 LEU 4 13.747 12.254 -21.246
28 HD12 LEU 4 2HD1 LEU 4 14.670 11.966 -22.721
29 HD13 LEU 4 3HD1 LEU 4 15.322 11.466 -21.158
30 HD21 LEU 4 3HD2 LEU 4 12.729 10.284 -20.026
31 HD22 LEU 4 1HD2 LEU 4 14.326 9.537 -19.962
32 HD23 LEU 4 2HD2 LEU 4 12.970 8.659 -20.667
33 H ASN 5 H ASN 5 10.385 7.331 -24.299
34 HA ASN 5 HA ASN 5 7.934 8.457 -24.738
35 HB2 ASN 5 2HB ASN 5 8.990 10.362 -25.856
36 HB3 ASN 5 1HB ASN 5 9.893 9.271 -26.909
37 HD21 ASN 5 1HD2 ASN 5 8.656 7.944 -28.383
38 HD22 ASN 5 2HD2 ASN 5 7.145 8.527 -29.010
39 H CYS 6 H CYS 6 10.626 6.895 -26.416
40 HA CYS 6 HA CYS 6 8.841 5.459 -28.157
41 HB2 CYS 6 2HB CYS 6 11.817 5.112 -27.799
42 HB3 CYS 6 1HB CYS 6 10.845 4.491 -29.126
43 H VAL 7 H VAL 7 9.480 5.172 -25.080
44 HA VAL 7 HA VAL 7 9.339 2.263 -25.110
45 HB VAL 7 HB VAL 7 10.688 4.143 -23.181
46 HG11 VAL 7 1HG1 VAL 7 10.997 2.237 -21.637
47 HG12 VAL 7 2HG1 VAL 7 9.950 1.247 -22.653
48 HG13 VAL 7 3HG1 VAL 7 9.294 2.651 -21.816
49 HG21 VAL 7 3HG2 VAL 7 11.594 1.603 -24.544
50 HG22 VAL 7 1HG2 VAL 7 12.581 2.657 -23.529
51 HG23 VAL 7 2HG2 VAL 7 11.961 3.245 -25.073
52 H SER 8 H SER 8 8.393 5.083 -23.117
53 HA SER 8 HA SER 8 6.251 3.662 -21.873
54 HB2 SER 8 2HB SER 8 5.680 5.892 -20.904
55 HB3 SER 8 1HB SER 8 7.351 5.402 -20.629
56 HG SER 8 HG SER 8 7.978 7.110 -21.662
57 H HIS 9 H HIS 9 6.291 6.435 -24.109
58 HA HIS 9 HA HIS 9 3.446 6.440 -24.389
59 HB2 HIS 9 2HB HIS 9 5.615 7.932 -25.869
60 HB3 HIS 9 1HB HIS 9 3.896 8.165 -26.172
61 HD1 HIS 9 1HD HIS 9 2.713 9.814 -24.721
62 HD2 HIS 9 2HD HIS 9 6.401 8.678 -23.159
63 HE1 HIS 9 1HE HIS 9 3.121 11.347 -22.763
64 HE2 HIS 9 2HE HIS 9 5.336 10.612 -21.793
65 H THR 10 H THR 10 5.817 4.541 -25.742
66 HA THR 10 HA THR 10 4.464 4.188 -28.290
67 HB THR 10 HB THR 10 6.982 2.952 -27.183
68 HG1 THR 10 1HG THR 10 6.492 5.294 -28.283
69 HG21 THR 10 3HG2 THR 10 5.868 1.400 -28.747
70 HG22 THR 10 1HG2 THR 10 7.350 2.065 -29.441
71 HG23 THR 10 2HG2 THR 10 5.778 2.692 -29.946
72 H ALA 11 H ALA 11 5.179 2.366 -25.339
73 HA ALA 11 HA ALA 11 4.120 0.656 -24.292
74 HB1 ALA 11 3HB ALA 11 1.801 0.185 -24.735
75 HB2 ALA 11 1HB ALA 11 1.887 1.038 -26.275
76 HB3 ALA 11 2HB ALA 11 2.071 1.926 -24.764
77 H SER 12 H SER 12 3.816 0.341 -27.815
78 HA SER 12 HA SER 12 3.540 -2.421 -27.990
79 HB2 SER 12 2HB SER 12 3.407 -0.606 -29.824
80 HB3 SER 12 1HB SER 12 5.149 -0.814 -29.961
81 HG SER 12 HG SER 12 4.682 -2.420 -31.222
82 H TYR 13 H TYR 13 6.415 -0.429 -27.778
83 HA TYR 13 HA TYR 13 8.356 -2.382 -28.224
84 HB2 TYR 13 2HB TYR 13 8.853 0.003 -28.259
85 HB3 TYR 13 1HB TYR 13 8.493 0.123 -26.544
86 HD1 TYR 13 1HD TYR 13 10.839 -1.472 -28.960
87 HD2 TYR 13 2HD TYR 13 10.176 -0.228 -24.950
88 HE1 TYR 13 1HE TYR 13 13.194 -1.936 -28.436
89 HE2 TYR 13 2HE TYR 13 12.530 -0.689 -24.408
90 HH TYR 13 HH TYR 13 14.388 -2.016 -25.218
91 H LEU 14 H LEU 14 6.464 -1.658 -25.397
92 HA LEU 14 HA LEU 14 8.106 -3.440 -23.748
93 HB2 LEU 14 2HB LEU 14 5.784 -1.653 -23.009
94 HB3 LEU 14 1HB LEU 14 6.678 -2.653 -21.881
95 HG LEU 14 HG LEU 14 7.796 -0.328 -23.446
96 HD11 LEU 14 1HD1 LEU 14 6.306 0.383 -21.676
97 HD12 LEU 14 2HD1 LEU 14 7.978 0.742 -21.254
98 HD13 LEU 14 3HD1 LEU 14 7.161 -0.635 -20.516
99 HD21 LEU 14 3HD2 LEU 14 9.806 -0.642 -22.074
100 HD22 LEU 14 1HD2 LEU 14 9.488 -2.040 -23.100
101 HD23 LEU 14 2HD2 LEU 14 9.100 -2.101 -21.383
102 H ARG 15 H ARG 15 5.982 -3.972 -25.966
103 HA ARG 15 HA ARG 15 4.472 -5.558 -26.497
104 HB2 ARG 15 2HB ARG 15 5.545 -6.828 -23.972
105 HB3 ARG 15 1HB ARG 15 4.422 -7.631 -25.060
106 HG2 ARG 15 2HG ARG 15 6.029 -7.500 -26.868
107 HG3 ARG 15 1HG ARG 15 7.146 -6.614 -25.826
108 HD2 ARG 15 2HD ARG 15 7.401 -8.522 -24.390
109 HD3 ARG 15 1HD ARG 15 6.144 -9.403 -25.259
110 HE ARG 15 HE ARG 15 7.973 -8.843 -27.186
111 HH11 ARG 15 1HH1 ARG 15 8.240 -10.359 -24.023
112 HH12 ARG 15 2HH1 ARG 15 9.523 -11.418 -24.539
113 HH21 ARG 15 1HH2 ARG 15 9.661 -10.210 -27.814
114 HH22 ARG 15 2HH2 ARG 15 10.339 -11.325 -26.657
115 H LEU 16 H LEU 16 3.730 -3.252 -24.822
116 HA LEU 16 HA LEU 16 1.406 -4.306 -23.380
117 HB2 LEU 16 2HB LEU 16 2.520 -1.499 -23.531
118 HB3 LEU 16 1HB LEU 16 1.121 -1.974 -22.590
119 HG LEU 16 HG LEU 16 3.936 -2.958 -22.148
120 HD11 LEU 16 1HD1 LEU 16 3.680 -0.635 -21.499
121 HD12 LEU 16 2HD1 LEU 16 3.809 -1.659 -20.069
122 HD13 LEU 16 3HD1 LEU 16 2.237 -1.033 -20.569
123 HD21 LEU 16 3HD2 LEU 16 2.997 -3.939 -20.092
124 HD22 LEU 16 1HD2 LEU 16 2.318 -4.655 -21.553
125 HD23 LEU 16 2HD2 LEU 16 1.381 -3.478 -20.630
126 H TRP 17 H TRP 17 2.018 -3.828 -26.400
127 HA TRP 17 HA TRP 17 -0.718 -2.982 -26.984
128 HB2 TRP 17 2HB TRP 17 0.792 -1.046 -27.406
129 HB3 TRP 17 1HB TRP 17 1.703 -2.035 -28.540
130 HD1 TRP 17 HD TRP 17 -1.740 -0.387 -28.136
131 HE1 TRP 17 1HE TRP 17 -2.780 -0.069 -30.478
132 HE3 TRP 17 3HE TRP 17 1.777 -2.843 -30.910
133 HZ2 TRP 17 2HZ TRP 17 -2.168 -0.774 -33.137
134 HZ3 TRP 17 3HZ TRP 17 1.480 -2.969 -33.345
135 HH2 TRP 17 HH TRP 17 -0.454 -1.958 -34.436
136 H ALA 18 H ALA 18 2.224 -4.101 -28.653
137 HA ALA 18 HA ALA 18 0.632 -6.023 -30.156
138 HB1 ALA 18 3HB ALA 18 2.331 -4.753 -31.363
139 HB2 ALA 18 1HB ALA 18 2.716 -6.474 -31.369
140 HB3 ALA 18 2HB ALA 18 3.580 -5.382 -30.287
141 H LEU 19 H LEU 19 0.651 -8.191 -29.803
142 HA LEU 19 HA LEU 19 0.952 -10.182 -28.741
143 HB2 LEU 19 2HB LEU 19 3.650 -9.023 -28.013
144 HB3 LEU 19 1HB LEU 19 3.186 -10.702 -27.810
145 HG LEU 19 HG LEU 19 3.416 -9.250 -30.451
146 HD11 LEU 19 1HD1 LEU 19 5.575 -9.666 -29.395
147 HD12 LEU 19 2HD1 LEU 19 5.354 -10.692 -30.811
148 HD13 LEU 19 3HD1 LEU 19 5.158 -11.366 -29.193
149 HD21 LEU 19 3HD2 LEU 19 1.688 -10.955 -30.526
150 HD22 LEU 19 1HD2 LEU 19 2.788 -12.135 -29.813
151 HD23 LEU 19 2HD2 LEU 19 3.106 -11.494 -31.425
152 H SER 20 H SER 20 -0.213 -7.894 -27.368
153 HA SER 20 HA SER 20 0.573 -8.224 -24.594
154 HB2 SER 20 2HB SER 20 0.104 -5.962 -25.426
155 HB3 SER 20 1HB SER 20 -1.536 -6.449 -25.849
156 HG SER 20 HG SER 20 -1.632 -7.055 -23.492
157 H LEU 21 H LEU 21 -1.426 -9.809 -26.704
158 HA LEU 21 HA LEU 21 -3.028 -11.392 -26.472
159 HB2 LEU 21 2HB LEU 21 -2.203 -11.121 -23.603
160 HB3 LEU 21 1HB LEU 21 -3.565 -12.128 -24.046
161 HG LEU 21 HG LEU 21 -1.668 -13.545 -23.837
162 HD11 LEU 21 1HD1 LEU 21 -1.527 -14.514 -26.059
163 HD12 LEU 21 2HD1 LEU 21 -2.173 -13.031 -26.767
164 HD13 LEU 21 3HD1 LEU 21 -3.179 -14.017 -25.702
165 HD21 LEU 21 3HD2 LEU 21 -0.239 -11.722 -25.777
166 HD22 LEU 21 1HD2 LEU 21 0.400 -13.214 -25.086
167 HD23 LEU 21 2HD2 LEU 21 0.075 -11.828 -24.047
168 H ALA 22 H ALA 22 -5.144 -11.803 -24.956
169 HA ALA 22 HA ALA 22 -6.493 -9.271 -24.429
170 HB1 ALA 22 3HB ALA 22 -7.552 -11.325 -26.366
171 HB2 ALA 22 1HB ALA 22 -6.960 -9.720 -26.785
172 HB3 ALA 22 2HB ALA 22 -8.421 -9.896 -25.813
173 H HIS 23 H HIS 23 -7.105 -12.760 -24.767
174 HA HIS 23 HA HIS 23 -8.725 -12.882 -22.421
175 HB2 HIS 23 2HB HIS 23 -8.650 -15.328 -22.744
176 HB3 HIS 23 1HB HIS 23 -9.124 -14.480 -24.207
177 HD1 HIS 23 1HD HIS 23 -7.850 -15.021 -26.277
178 HD2 HIS 23 2HD HIS 23 -5.877 -16.300 -22.839
179 HE1 HIS 23 1HE HIS 23 -5.876 -16.354 -27.079
180 HE2 HIS 23 2HE HIS 23 -4.605 -16.977 -24.989
181 H ALA 24 H ALA 24 -8.197 -13.618 -20.394
182 HA ALA 24 HA ALA 24 -5.376 -13.547 -19.698
183 HB1 ALA 24 3HB ALA 24 -6.167 -13.754 -17.379
184 HB2 ALA 24 1HB ALA 24 -7.816 -13.949 -17.968
185 HB3 ALA 24 2HB ALA 24 -6.960 -12.428 -18.232
186 H GLN 25 H GLN 25 -7.897 -15.854 -20.214
187 HA GLN 25 HA GLN 25 -6.056 -18.019 -19.496
188 HB2 GLN 25 2HB GLN 25 -8.054 -18.080 -18.137
189 HB3 GLN 25 1HB GLN 25 -9.071 -17.964 -19.565
190 HG2 GLN 25 2HG GLN 25 -8.363 -20.155 -20.293
191 HG3 GLN 25 1HG GLN 25 -7.234 -20.268 -18.947
192 HE21 GLN 25 1HE2 GLN 25 -8.168 -22.124 -18.161
193 HE22 GLN 25 2HE2 GLN 25 -9.710 -22.118 -17.349