Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636145 | 6gnz RC | 34278 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 -13.328 10.062 -1.892
2 H2 ARG 1 HT2 ARG 1 -14.245 11.171 -2.714
3 H3 ARG 1 HT3 ARG 1 -13.559 9.900 -3.567
4 HA ARG 1 HA ARG 1 -15.710 9.717 -1.549
5 HB2 ARG 1 HB2 ARG 1 -16.250 10.667 -3.827
6 HB3 ARG 1 HB3 ARG 1 -15.716 9.157 -4.527
7 HG2 ARG 1 HG2 ARG 1 -17.523 8.046 -3.151
8 HG3 ARG 1 HG3 ARG 1 -18.125 9.673 -2.824
9 HD2 ARG 1 HD2 ARG 1 -18.261 10.099 -5.246
10 HD3 ARG 1 HD3 ARG 1 -17.705 8.446 -5.517
11 HE ARG 1 HE ARG 1 -20.188 8.963 -4.051
12 HH11 ARG 1 HH11 ARG 1 -18.517 7.478 -6.834
13 HH12 ARG 1 HH12 ARG 1 -19.896 6.586 -7.298
14 HH21 ARG 1 HH21 ARG 1 -22.037 7.805 -4.783
15 HH22 ARG 1 HH22 ARG 1 -21.931 6.771 -6.130
16 H ASN 2 H ASN 2 -12.950 8.256 -2.559
17 HA ASN 2 HA ASN 2 -14.076 5.571 -2.492
18 HB2 ASN 2 HB2 ASN 2 -12.008 4.783 -3.522
19 HB3 ASN 2 HB3 ASN 2 -12.719 6.068 -4.479
20 HD21 ASN 2 HD21 ASN 2 -10.045 5.077 -2.566
21 HD22 ASN 2 HD22 ASN 2 -9.018 6.411 -2.895
22 H LYS 3 H LYS 3 -13.565 4.135 -0.962
23 HA LYS 3 HA LYS 3 -11.342 4.092 0.712
24 HB2 LYS 3 HB2 LYS 3 -12.617 6.101 1.628
25 HB3 LYS 3 HB3 LYS 3 -13.911 4.979 2.017
26 HG2 LYS 3 HG2 LYS 3 -12.133 3.665 3.269
27 HG3 LYS 3 HG3 LYS 3 -11.153 5.129 3.112
28 HD2 LYS 3 HD2 LYS 3 -12.254 5.227 5.231
29 HD3 LYS 3 HD3 LYS 3 -13.073 6.364 4.148
30 HE2 LYS 3 HE2 LYS 3 -14.783 4.642 3.663
31 HE3 LYS 3 HE3 LYS 3 -13.970 3.562 4.768
32 HZ1 LYS 3 HZ1 LYS 3 -14.436 5.079 6.570
33 HZ2 LYS 3 HZ2 LYS 3 -15.881 4.678 5.785
34 HZ3 LYS 3 HZ3 LYS 3 -15.154 6.165 5.516
35 H LEU 4 H LEU 4 -11.428 2.048 1.777
36 HA LEU 4 HA LEU 4 -13.668 0.482 2.299
37 HB2 LEU 4 HB2 LEU 4 -13.854 0.681 -0.212
38 HB3 LEU 4 HB3 LEU 4 -12.348 -0.213 -0.339
39 HG LEU 4 HG LEU 4 -13.534 -2.092 0.901
40 HD11 LEU 4 HD11 LEU 4 -15.973 -2.088 0.844
41 HD12 LEU 4 HD12 LEU 4 -15.957 -0.456 0.185
42 HD13 LEU 4 HD13 LEU 4 -15.364 -0.747 1.814
43 HD21 LEU 4 HD21 LEU 4 -13.124 -2.175 -1.510
44 HD22 LEU 4 HD22 LEU 4 -14.616 -1.288 -1.803
45 HD23 LEU 4 HD23 LEU 4 -14.676 -2.905 -1.105
46 H ALA 5 H ALA 5 -12.967 -1.719 2.795
47 HA ALA 5 HA ALA 5 -10.510 -1.859 4.062
48 HB1 ALA 5 HB1 ALA 5 -12.419 -3.268 4.613
49 HB2 ALA 5 HB2 ALA 5 -10.989 -4.263 4.320
50 HB3 ALA 5 HB3 ALA 5 -12.244 -4.120 3.082
51 H TYR 6 H TYR 6 -11.405 -2.646 0.848
52 HA TYR 6 HA TYR 6 -8.889 -3.919 0.216
53 HB2 TYR 6 HB2 TYR 6 -11.224 -3.168 -1.527
54 HB3 TYR 6 HB3 TYR 6 -9.769 -3.963 -2.124
55 HD1 TYR 6 HD1 TYR 6 -9.246 -6.240 -1.458
56 HD2 TYR 6 HD2 TYR 6 -12.873 -4.383 -0.258
57 HE1 TYR 6 HE1 TYR 6 -10.149 -8.420 -0.868
58 HE2 TYR 6 HE2 TYR 6 -13.798 -6.585 0.348
59 HH TYR 6 HH TYR 6 -11.833 -9.338 0.568
60 H ASN 7 H ASN 7 -10.218 -0.800 0.138
61 HA ASN 7 HA ASN 7 -8.319 0.243 -1.735
62 HB2 ASN 7 HB2 ASN 7 -10.410 1.414 -1.628
63 HB3 ASN 7 HB3 ASN 7 -10.276 1.616 0.110
64 HD21 ASN 7 HD21 ASN 7 -9.048 2.680 -2.975
65 HD22 ASN 7 HD22 ASN 7 -8.293 4.125 -2.384
66 H MET 8 H MET 8 -8.842 0.739 1.705
67 HA MET 8 HA MET 8 -6.234 1.861 1.929
68 HB2 MET 8 HB2 MET 8 -8.292 1.314 4.047
69 HB3 MET 8 HB3 MET 8 -6.724 2.030 4.377
70 HG2 MET 8 HG2 MET 8 -8.576 3.289 2.385
71 HG3 MET 8 HG3 MET 8 -8.794 3.555 4.109
72 HE1 MET 8 HE1 MET 8 -5.181 3.394 2.125
73 HE2 MET 8 HE2 MET 8 -5.150 5.074 1.625
74 HE3 MET 8 HE3 MET 8 -6.416 3.999 1.024
75 H GLY 9 H GLY 9 -7.684 -0.989 3.537
76 HA2 GLY 9 HA2 GLY 9 -5.290 -1.822 4.735
77 HA3 GLY 9 HA3 GLY 9 -6.715 -2.811 4.490
78 H HIS 10 H HIS 10 -6.793 -2.893 1.734
79 HA HIS 10 HA HIS 10 -4.818 -4.912 1.317
80 HB2 HIS 10 HB2 HIS 10 -7.135 -4.889 0.301
81 HB3 HIS 10 HB3 HIS 10 -6.549 -3.674 -0.840
82 HD1 HIS 10 HD1 HIS 10 -4.965 -6.923 0.331
83 HD2 HIS 10 HD2 HIS 10 -6.305 -5.044 -3.107
84 HE1 HIS 10 HE1 HIS 10 -4.310 -8.422 -1.536
85 H TYR 11 H TYR 11 -5.109 -1.560 0.158
86 HA TYR 11 HA TYR 11 -2.736 -1.669 -1.374
87 HB2 TYR 11 HB2 TYR 11 -4.453 0.513 -0.387
88 HB3 TYR 11 HB3 TYR 11 -2.802 0.930 -0.825
89 HD1 TYR 11 HD1 TYR 11 -5.965 -0.490 -2.127
90 HD2 TYR 11 HD2 TYR 11 -2.114 1.042 -3.015
91 HE1 TYR 11 HE1 TYR 11 -6.567 -0.391 -4.502
92 HE2 TYR 11 HE2 TYR 11 -2.669 1.163 -5.362
93 HH TYR 11 HH TYR 11 -4.197 0.267 -6.929
94 H ALA 12 H ALA 12 -3.329 -0.982 1.992
95 HA ALA 12 HA ALA 12 -0.832 0.033 2.670
96 HB1 ALA 12 HB1 ALA 12 -2.596 -1.788 4.316
97 HB2 ALA 12 HB2 ALA 12 -2.722 -0.033 4.233
98 HB3 ALA 12 HB3 ALA 12 -1.283 -0.785 4.939
99 H GLY 13 H GLY 13 -1.916 -3.267 2.205
100 HA2 GLY 13 HA2 GLY 13 0.451 -4.578 3.019
101 HA3 GLY 13 HA3 GLY 13 -0.756 -5.234 1.914
102 H LYS 14 H LYS 14 -0.664 -3.470 -0.135
103 HA LYS 14 HA LYS 14 1.585 -4.376 -1.613
104 HB2 LYS 14 HB2 LYS 14 -0.548 -2.360 -2.232
105 HB3 LYS 14 HB3 LYS 14 0.845 -2.516 -3.279
106 HG2 LYS 14 HG2 LYS 14 -0.997 -3.734 -4.198
107 HG3 LYS 14 HG3 LYS 14 0.249 -4.865 -3.690
108 HD2 LYS 14 HD2 LYS 14 -1.027 -5.479 -1.762
109 HD3 LYS 14 HD3 LYS 14 -2.194 -4.194 -2.069
110 HE2 LYS 14 HE2 LYS 14 -3.079 -6.314 -2.791
111 HE3 LYS 14 HE3 LYS 14 -2.813 -5.256 -4.166
112 HZ1 LYS 14 HZ1 LYS 14 -0.672 -6.516 -4.537
113 HZ2 LYS 14 HZ2 LYS 14 -2.075 -7.363 -4.756
114 HZ3 LYS 14 HZ3 LYS 14 -1.207 -7.609 -3.352
115 H ALA 15 H ALA 15 0.784 -1.260 -0.252
116 HA ALA 15 HA ALA 15 3.050 0.040 -1.259
117 HB1 ALA 15 HB1 ALA 15 1.056 1.257 -0.567
118 HB2 ALA 15 HB2 ALA 15 2.513 1.839 0.247
119 HB3 ALA 15 HB3 ALA 15 1.373 0.812 1.117
120 H THR 16 H THR 16 2.506 -1.776 1.657
121 HA THR 16 HA THR 16 4.985 -0.900 2.783
122 HB THR 16 HB THR 16 3.400 -3.329 3.669
123 HG1 THR 16 HG1 THR 16 2.073 -1.549 3.887
124 HG21 THR 16 HG21 THR 16 4.535 -2.923 5.831
125 HG22 THR 16 HG22 THR 16 5.410 -1.573 5.104
126 HG23 THR 16 HG23 THR 16 5.710 -3.215 4.546
127 H ILE 17 H ILE 17 3.986 -3.696 0.851
128 HA ILE 17 HA ILE 17 6.614 -4.766 1.146
129 HB ILE 17 HB ILE 17 4.825 -6.383 0.863
130 HG12 ILE 17 HG12 ILE 17 5.769 -7.806 -0.968
131 HG13 ILE 17 HG13 ILE 17 6.724 -6.423 -1.488
132 HG21 ILE 17 HG21 ILE 17 3.636 -6.725 -1.263
133 HG22 ILE 17 HG22 ILE 17 4.376 -5.249 -1.882
134 HG23 ILE 17 HG23 ILE 17 3.279 -5.174 -0.501
135 HD11 ILE 17 HD11 ILE 17 7.901 -6.425 0.635
136 HD12 ILE 17 HD12 ILE 17 8.020 -8.004 -0.142
137 HD13 ILE 17 HD13 ILE 17 6.897 -7.758 1.198
138 H PHE 18 H PHE 18 4.918 -3.272 -1.605
139 HA PHE 18 HA PHE 18 7.330 -3.246 -3.159
140 HB2 PHE 18 HB2 PHE 18 4.691 -1.924 -3.760
141 HB3 PHE 18 HB3 PHE 18 6.031 -2.187 -4.881
142 HD1 PHE 18 HD1 PHE 18 6.802 -4.922 -4.292
143 HD2 PHE 18 HD2 PHE 18 2.941 -3.177 -4.559
144 HE1 PHE 18 HE1 PHE 18 5.866 -7.100 -4.924
145 HE2 PHE 18 HE2 PHE 18 1.990 -5.345 -5.180
146 HZ PHE 18 HZ PHE 18 3.452 -7.319 -5.361
147 H GLY 19 H GLY 19 5.213 -0.690 -1.951
148 HA2 GLY 19 HA2 GLY 19 6.736 1.506 -2.796
149 HA3 GLY 19 HA3 GLY 19 5.581 1.511 -1.461
150 H LEU 20 H LEU 20 6.552 0.054 0.396
151 HA LEU 20 HA LEU 20 8.513 1.668 1.541
152 HB2 LEU 20 HB2 LEU 20 6.812 -0.067 2.549
153 HB3 LEU 20 HB3 LEU 20 8.231 -1.101 2.544
154 HG LEU 20 HG LEU 20 9.368 0.904 3.698
155 HD11 LEU 20 HD11 LEU 20 7.870 2.291 5.014
156 HD12 LEU 20 HD12 LEU 20 6.502 1.410 4.328
157 HD13 LEU 20 HD13 LEU 20 7.488 2.421 3.280
158 HD21 LEU 20 HD21 LEU 20 7.333 -0.776 5.151
159 HD22 LEU 20 HD22 LEU 20 8.700 0.086 5.876
160 HD23 LEU 20 HD23 LEU 20 8.993 -1.244 4.756
161 H ALA 21 H ALA 21 8.868 -1.304 -0.371
162 HA ALA 21 HA ALA 21 11.494 -1.932 0.357
163 HB1 ALA 21 HB1 ALA 21 10.115 -2.330 -2.301
164 HB2 ALA 21 HB2 ALA 21 10.070 -3.447 -0.946
165 HB3 ALA 21 HB3 ALA 21 11.592 -3.144 -1.786
166 H ALA 22 H ALA 22 10.171 0.385 -1.878
167 HA ALA 22 HA ALA 22 12.617 1.015 -3.177
168 HB1 ALA 22 HB1 ALA 22 11.430 2.938 -4.068
169 HB2 ALA 22 HB2 ALA 22 10.111 2.653 -2.919
170 HB3 ALA 22 HB3 ALA 22 10.455 1.467 -4.183
171 H TRP 23 H TRP 23 11.042 2.067 -0.331
172 HA TRP 23 HA TRP 23 12.842 4.298 -0.034
173 HB2 TRP 23 HB2 TRP 23 10.227 3.749 0.763
174 HB3 TRP 23 HB3 TRP 23 11.176 3.939 2.236
175 HD1 TRP 23 HD1 TRP 23 10.938 6.340 3.000
176 HE1 TRP 23 HE1 TRP 23 10.985 8.661 1.896
177 HE3 TRP 23 HE3 TRP 23 11.464 4.856 -1.834
178 HZ2 TRP 23 HZ2 TRP 23 11.297 9.716 -0.758
179 HZ3 TRP 23 HZ3 TRP 23 11.680 6.516 -3.582
180 HH2 TRP 23 HH2 TRP 23 11.604 8.909 -3.074
181 H ALA 24 H ALA 24 12.142 1.307 1.652
182 HA ALA 24 HA ALA 24 14.115 1.813 3.609
183 HB1 ALA 24 HB1 ALA 24 12.671 -0.748 2.942
184 HB2 ALA 24 HB2 ALA 24 12.145 0.467 4.094
185 HB3 ALA 24 HB3 ALA 24 13.621 -0.453 4.402
186 H LEU 25 H LEU 25 13.859 -0.520 0.954
187 HA LEU 25 HA LEU 25 16.535 -1.500 1.290
188 HB2 LEU 25 HB2 LEU 25 14.339 -2.164 -0.641
189 HB3 LEU 25 HB3 LEU 25 15.905 -2.988 -0.610
190 HG LEU 25 HG LEU 25 13.873 -2.944 1.630
191 HD11 LEU 25 HD11 LEU 25 13.463 -5.286 1.034
192 HD12 LEU 25 HD12 LEU 25 14.562 -5.125 -0.337
193 HD13 LEU 25 HD13 LEU 25 13.069 -4.196 -0.294
194 HD21 LEU 25 HD21 LEU 25 16.435 -4.508 1.298
195 HD22 LEU 25 HD22 LEU 25 15.256 -4.723 2.592
196 HD23 LEU 25 HD23 LEU 25 16.151 -3.213 2.467
197 H LEU 26 H LEU 26 14.858 0.531 -1.072
198 HA LEU 26 HA LEU 26 17.136 0.408 -2.844
199 HB2 LEU 26 HB2 LEU 26 14.904 0.108 -3.768
200 HB3 LEU 26 HB3 LEU 26 14.442 1.668 -3.115
201 HG LEU 26 HG LEU 26 16.047 2.726 -4.620
202 HD11 LEU 26 HD11 LEU 26 17.553 0.908 -5.068
203 HD12 LEU 26 HD12 LEU 26 16.861 1.465 -6.590
204 HD13 LEU 26 HD13 LEU 26 16.268 -0.018 -5.841
205 HD21 LEU 26 HD21 LEU 26 13.712 2.699 -5.153
206 HD22 LEU 26 HD22 LEU 26 13.854 1.102 -5.899
207 HD23 LEU 26 HD23 LEU 26 14.634 2.501 -6.643
208 H ALA 27 H ALA 27 16.053 2.436 -0.453
209 HA ALA 27 HA ALA 27 17.476 4.698 -1.637
210 HB1 ALA 27 HB1 ALA 27 15.502 4.818 0.661
211 HB2 ALA 27 HB2 ALA 27 15.148 5.229 -1.012
212 HB3 ALA 27 HB3 ALA 27 16.295 6.190 -0.096
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 8.113 -6.685 -3.477
2 H2 ARG 1 HT2 ARG 1 8.455 -8.213 -4.008
3 H3 ARG 1 HT3 ARG 1 9.668 -7.012 -4.017
4 HA ARG 1 HA ARG 1 8.394 -8.205 -1.628
5 HB2 ARG 1 HB2 ARG 1 11.283 -8.225 -2.536
6 HB3 ARG 1 HB3 ARG 1 10.618 -9.019 -1.108
7 HG2 ARG 1 HG2 ARG 1 9.300 -10.471 -2.519
8 HG3 ARG 1 HG3 ARG 1 9.920 -9.657 -3.951
9 HD2 ARG 1 HD2 ARG 1 12.197 -10.326 -3.289
10 HD3 ARG 1 HD3 ARG 1 11.516 -11.242 -1.953
11 HE ARG 1 HE ARG 1 10.607 -11.785 -4.665
12 HH11 ARG 1 HH11 ARG 1 12.080 -12.956 -1.694
13 HH12 ARG 1 HH12 ARG 1 12.502 -14.483 -2.303
14 HH21 ARG 1 HH21 ARG 1 11.136 -13.898 -5.539
15 HH22 ARG 1 HH22 ARG 1 11.921 -15.055 -4.580
16 H ASN 2 H ASN 2 8.727 -7.145 0.236
17 HA ASN 2 HA ASN 2 9.590 -4.402 -0.231
18 HB2 ASN 2 HB2 ASN 2 7.672 -5.390 1.902
19 HB3 ASN 2 HB3 ASN 2 8.109 -3.718 1.570
20 HD21 ASN 2 HD21 ASN 2 5.996 -3.024 1.100
21 HD22 ASN 2 HD22 ASN 2 5.148 -3.568 -0.286
22 H LYS 3 H LYS 3 11.066 -3.467 1.007
23 HA LYS 3 HA LYS 3 11.909 -4.544 3.519
24 HB2 LYS 3 HB2 LYS 3 14.273 -4.790 2.793
25 HB3 LYS 3 HB3 LYS 3 13.179 -6.058 2.256
26 HG2 LYS 3 HG2 LYS 3 12.956 -5.018 0.139
27 HG3 LYS 3 HG3 LYS 3 14.011 -3.701 0.643
28 HD2 LYS 3 HD2 LYS 3 14.874 -6.612 0.507
29 HD3 LYS 3 HD3 LYS 3 15.233 -5.419 -0.744
30 HE2 LYS 3 HE2 LYS 3 16.492 -4.094 0.845
31 HE3 LYS 3 HE3 LYS 3 16.050 -5.195 2.141
32 HZ1 LYS 3 HZ1 LYS 3 17.640 -5.957 -0.235
33 HZ2 LYS 3 HZ2 LYS 3 17.283 -6.927 1.084
34 HZ3 LYS 3 HZ3 LYS 3 18.283 -5.582 1.273
35 H LEU 4 H LEU 4 12.511 -2.332 0.952
36 HA LEU 4 HA LEU 4 13.966 -0.491 2.638
37 HB2 LEU 4 HB2 LEU 4 14.387 -1.020 0.262
38 HB3 LEU 4 HB3 LEU 4 12.901 -0.202 -0.153
39 HG LEU 4 HG LEU 4 13.866 1.894 0.883
40 HD11 LEU 4 HD11 LEU 4 16.441 0.335 0.730
41 HD12 LEU 4 HD12 LEU 4 15.615 0.809 2.207
42 HD13 LEU 4 HD13 LEU 4 16.272 2.046 1.133
43 HD21 LEU 4 HD21 LEU 4 13.735 1.623 -1.512
44 HD22 LEU 4 HD22 LEU 4 15.241 0.709 -1.522
45 HD23 LEU 4 HD23 LEU 4 15.249 2.417 -1.085
46 H ALA 5 H ALA 5 13.271 1.763 2.781
47 HA ALA 5 HA ALA 5 10.880 2.102 4.095
48 HB1 ALA 5 HB1 ALA 5 11.344 4.483 3.989
49 HB2 ALA 5 HB2 ALA 5 12.522 4.197 2.701
50 HB3 ALA 5 HB3 ALA 5 12.816 3.563 4.316
51 H TYR 6 H TYR 6 11.633 2.720 0.789
52 HA TYR 6 HA TYR 6 9.005 3.766 0.298
53 HB2 TYR 6 HB2 TYR 6 11.241 3.201 -1.621
54 HB3 TYR 6 HB3 TYR 6 9.658 3.757 -2.141
55 HD1 TYR 6 HD1 TYR 6 8.860 5.977 -1.520
56 HD2 TYR 6 HD2 TYR 6 12.792 4.706 -0.572
57 HE1 TYR 6 HE1 TYR 6 9.499 8.309 -1.114
58 HE2 TYR 6 HE2 TYR 6 13.450 7.043 -0.145
59 HH TYR 6 HH TYR 6 11.160 9.520 0.128
60 H ASN 7 H ASN 7 10.353 0.649 0.309
61 HA ASN 7 HA ASN 7 8.419 -0.440 -1.550
62 HB2 ASN 7 HB2 ASN 7 9.878 -1.959 0.606
63 HB3 ASN 7 HB3 ASN 7 9.018 -2.608 -0.768
64 HD21 ASN 7 HD21 ASN 7 10.372 -0.650 -2.649
65 HD22 ASN 7 HD22 ASN 7 11.948 -1.342 -2.774
66 H MET 8 H MET 8 8.992 -0.787 1.901
67 HA MET 8 HA MET 8 6.321 -1.722 2.216
68 HB2 MET 8 HB2 MET 8 7.922 -2.956 3.443
69 HB3 MET 8 HB3 MET 8 8.567 -1.548 4.212
70 HG2 MET 8 HG2 MET 8 7.148 -2.921 5.703
71 HG3 MET 8 HG3 MET 8 6.601 -1.257 5.555
72 HE1 MET 8 HE1 MET 8 5.964 -4.986 4.439
73 HE2 MET 8 HE2 MET 8 6.026 -4.154 2.871
74 HE3 MET 8 HE3 MET 8 4.506 -4.816 3.455
75 H GLY 9 H GLY 9 8.063 0.970 3.711
76 HA2 GLY 9 HA2 GLY 9 5.860 1.963 5.141
77 HA3 GLY 9 HA3 GLY 9 7.294 2.881 4.723
78 H HIS 10 H HIS 10 7.107 2.919 2.007
79 HA HIS 10 HA HIS 10 5.217 5.011 1.624
80 HB2 HIS 10 HB2 HIS 10 7.385 4.840 0.442
81 HB3 HIS 10 HB3 HIS 10 6.734 3.486 -0.498
82 HD1 HIS 10 HD1 HIS 10 5.613 7.011 0.319
83 HD2 HIS 10 HD2 HIS 10 5.943 4.383 -2.854
84 HE1 HIS 10 HE1 HIS 10 4.669 8.215 -1.623
85 H TYR 11 H TYR 11 5.221 1.610 0.568
86 HA TYR 11 HA TYR 11 2.749 1.788 -0.815
87 HB2 TYR 11 HB2 TYR 11 4.483 -0.391 0.074
88 HB3 TYR 11 HB3 TYR 11 2.790 -0.800 -0.197
89 HD1 TYR 11 HD1 TYR 11 5.822 0.566 -1.820
90 HD2 TYR 11 HD2 TYR 11 1.930 -1.019 -2.305
91 HE1 TYR 11 HE1 TYR 11 6.217 0.371 -4.255
92 HE2 TYR 11 HE2 TYR 11 2.272 -1.228 -4.701
93 HH TYR 11 HH TYR 11 3.660 -0.375 -6.445
94 H ALA 12 H ALA 12 3.546 1.144 2.513
95 HA ALA 12 HA ALA 12 1.142 0.044 3.345
96 HB1 ALA 12 HB1 ALA 12 3.124 0.172 4.765
97 HB2 ALA 12 HB2 ALA 12 1.701 0.825 5.584
98 HB3 ALA 12 HB3 ALA 12 2.914 1.917 4.904
99 H GLY 13 H GLY 13 2.072 3.414 2.986
100 HA2 GLY 13 HA2 GLY 13 -0.280 4.571 4.021
101 HA3 GLY 13 HA3 GLY 13 0.830 5.342 2.901
102 H LYS 14 H LYS 14 0.586 3.486 0.791
103 HA LYS 14 HA LYS 14 -1.822 4.505 -0.382
104 HB2 LYS 14 HB2 LYS 14 0.410 2.812 -1.439
105 HB3 LYS 14 HB3 LYS 14 -1.075 2.964 -2.352
106 HG2 LYS 14 HG2 LYS 14 0.507 4.545 -3.213
107 HG3 LYS 14 HG3 LYS 14 -0.766 5.420 -2.370
108 HD2 LYS 14 HD2 LYS 14 0.727 5.636 -0.409
109 HD3 LYS 14 HD3 LYS 14 1.997 4.816 -1.308
110 HE2 LYS 14 HE2 LYS 14 0.698 7.423 -2.083
111 HE3 LYS 14 HE3 LYS 14 2.298 7.246 -1.369
112 HZ1 LYS 14 HZ1 LYS 14 2.510 7.508 -3.738
113 HZ2 LYS 14 HZ2 LYS 14 1.423 6.279 -4.034
114 HZ3 LYS 14 HZ3 LYS 14 2.913 5.914 -3.359
115 H ALA 15 H ALA 15 -0.790 1.473 0.917
116 HA ALA 15 HA ALA 15 -2.999 0.023 -0.098
117 HB1 ALA 15 HB1 ALA 15 -0.901 -1.071 0.477
118 HB2 ALA 15 HB2 ALA 15 -2.278 -1.765 1.338
119 HB3 ALA 15 HB3 ALA 15 -1.163 -0.682 2.180
120 H THR 16 H THR 16 -2.497 1.929 2.774
121 HA THR 16 HA THR 16 -4.824 0.924 4.042
122 HB THR 16 HB THR 16 -3.567 3.630 4.561
123 HG1 THR 16 HG1 THR 16 -2.988 1.086 5.713
124 HG21 THR 16 HG21 THR 16 -5.741 3.258 5.580
125 HG22 THR 16 HG22 THR 16 -4.489 3.228 6.828
126 HG23 THR 16 HG23 THR 16 -5.189 1.718 6.227
127 H ILE 17 H ILE 17 -4.169 3.687 1.902
128 HA ILE 17 HA ILE 17 -6.898 4.502 2.164
129 HB ILE 17 HB ILE 17 -5.346 6.313 1.740
130 HG12 ILE 17 HG12 ILE 17 -7.066 5.882 -0.723
131 HG13 ILE 17 HG13 ILE 17 -7.625 6.542 0.804
132 HG21 ILE 17 HG21 ILE 17 -4.640 4.960 -0.848
133 HG22 ILE 17 HG22 ILE 17 -3.597 5.151 0.568
134 HG23 ILE 17 HG23 ILE 17 -4.101 6.567 -0.355
135 HD11 ILE 17 HD11 ILE 17 -7.266 8.299 -0.826
136 HD12 ILE 17 HD12 ILE 17 -5.597 7.798 -1.049
137 HD13 ILE 17 HD13 ILE 17 -6.118 8.460 0.500
138 H PHE 18 H PHE 18 -5.076 3.033 -0.518
139 HA PHE 18 HA PHE 18 -7.504 2.690 -1.968
140 HB2 PHE 18 HB2 PHE 18 -4.754 1.657 -2.620
141 HB3 PHE 18 HB3 PHE 18 -6.154 1.658 -3.695
142 HD1 PHE 18 HD1 PHE 18 -3.214 3.233 -3.198
143 HD2 PHE 18 HD2 PHE 18 -7.335 4.129 -3.586
144 HE1 PHE 18 HE1 PHE 18 -2.630 5.498 -3.936
145 HE2 PHE 18 HE2 PHE 18 -6.771 6.420 -4.347
146 HZ PHE 18 HZ PHE 18 -4.415 7.097 -4.521
147 H GLY 19 H GLY 19 -5.098 0.403 -0.794
148 HA2 GLY 19 HA2 GLY 19 -6.405 -1.971 -1.390
149 HA3 GLY 19 HA3 GLY 19 -5.219 -1.773 -0.106
150 H LEU 20 H LEU 20 -6.429 -0.246 1.679
151 HA LEU 20 HA LEU 20 -8.198 -2.070 2.888
152 HB2 LEU 20 HB2 LEU 20 -6.740 -0.001 3.826
153 HB3 LEU 20 HB3 LEU 20 -8.351 0.695 3.848
154 HG LEU 20 HG LEU 20 -9.004 -1.504 5.031
155 HD11 LEU 20 HD11 LEU 20 -6.077 -1.381 5.632
156 HD12 LEU 20 HD12 LEU 20 -6.886 -2.623 4.672
157 HD13 LEU 20 HD13 LEU 20 -7.244 -2.466 6.400
158 HD21 LEU 20 HD21 LEU 20 -8.529 -0.504 7.207
159 HD22 LEU 20 HD22 LEU 20 -9.165 0.662 6.056
160 HD23 LEU 20 HD23 LEU 20 -7.435 0.656 6.442
161 H ALA 21 H ALA 21 -8.823 0.809 0.875
162 HA ALA 21 HA ALA 21 -11.558 1.020 1.507
163 HB1 ALA 21 HB1 ALA 21 -10.321 2.842 0.414
164 HB2 ALA 21 HB2 ALA 21 -11.720 2.362 -0.557
165 HB3 ALA 21 HB3 ALA 21 -10.101 1.825 -1.004
166 H ALA 22 H ALA 22 -9.733 -1.032 -0.546
167 HA ALA 22 HA ALA 22 -11.884 -2.000 -2.142
168 HB1 ALA 22 HB1 ALA 22 -9.311 -3.395 -1.405
169 HB2 ALA 22 HB2 ALA 22 -9.522 -2.336 -2.797
170 HB3 ALA 22 HB3 ALA 22 -10.403 -3.866 -2.706
171 H TRP 23 H TRP 23 -10.738 -2.752 1.043
172 HA TRP 23 HA TRP 23 -12.540 -5.014 1.081
173 HB2 TRP 23 HB2 TRP 23 -10.134 -4.615 2.388
174 HB3 TRP 23 HB3 TRP 23 -11.338 -4.288 3.611
175 HD1 TRP 23 HD1 TRP 23 -11.649 -6.442 5.031
176 HE1 TRP 23 HE1 TRP 23 -12.055 -8.929 4.497
177 HE3 TRP 23 HE3 TRP 23 -11.221 -6.277 -0.071
178 HZ2 TRP 23 HZ2 TRP 23 -12.200 -10.595 2.211
179 HZ3 TRP 23 HZ3 TRP 23 -11.528 -8.321 -1.353
180 HH2 TRP 23 HH2 TRP 23 -12.008 -10.463 -0.235
181 H ALA 24 H ALA 24 -12.242 -1.861 2.573
182 HA ALA 24 HA ALA 24 -14.594 -2.211 4.142
183 HB1 ALA 24 HB1 ALA 24 -13.125 0.326 3.484
184 HB2 ALA 24 HB2 ALA 24 -12.800 -0.725 4.863
185 HB3 ALA 24 HB3 ALA 24 -14.343 0.126 4.741
186 H LEU 25 H LEU 25 -13.903 -0.218 1.288
187 HA LEU 25 HA LEU 25 -16.662 0.586 1.055
188 HB2 LEU 25 HB2 LEU 25 -14.178 1.377 -0.420
189 HB3 LEU 25 HB3 LEU 25 -15.765 1.843 -0.999
190 HG LEU 25 HG LEU 25 -16.096 3.008 1.215
191 HD11 LEU 25 HD11 LEU 25 -13.146 2.504 1.514
192 HD12 LEU 25 HD12 LEU 25 -14.431 1.844 2.530
193 HD13 LEU 25 HD13 LEU 25 -14.116 3.578 2.523
194 HD21 LEU 25 HD21 LEU 25 -13.824 3.922 -0.525
195 HD22 LEU 25 HD22 LEU 25 -14.731 4.941 0.589
196 HD23 LEU 25 HD23 LEU 25 -15.539 4.214 -0.804
197 H LEU 26 H LEU 26 -14.635 -1.766 -0.510
198 HA LEU 26 HA LEU 26 -16.498 -1.906 -2.745
199 HB2 LEU 26 HB2 LEU 26 -14.201 -1.757 -3.377
200 HB3 LEU 26 HB3 LEU 26 -13.774 -3.084 -2.318
201 HG LEU 26 HG LEU 26 -15.200 -4.538 -3.781
202 HD11 LEU 26 HD11 LEU 26 -15.560 -3.795 -6.092
203 HD12 LEU 26 HD12 LEU 26 -15.039 -2.175 -5.626
204 HD13 LEU 26 HD13 LEU 26 -16.500 -2.866 -4.924
205 HD21 LEU 26 HD21 LEU 26 -12.716 -3.278 -4.941
206 HD22 LEU 26 HD22 LEU 26 -13.429 -4.796 -5.489
207 HD23 LEU 26 HD23 LEU 26 -12.793 -4.667 -3.849
208 H ALA 27 H ALA 27 -15.623 -3.590 0.009
209 HA ALA 27 HA ALA 27 -17.012 -5.988 -0.949
210 HB1 ALA 27 HB1 ALA 27 -14.713 -6.400 -0.244
211 HB2 ALA 27 HB2 ALA 27 -15.852 -7.252 0.796
212 HB3 ALA 27 HB3 ALA 27 -15.080 -5.765 1.353
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 11.676 -8.586 -0.667
2 H2 ARG 1 HT2 ARG 1 12.591 -9.348 -1.859
3 H3 ARG 1 HT3 ARG 1 11.094 -9.952 -1.453
4 HA ARG 1 HA ARG 1 11.070 -8.711 -3.558
5 HB2 ARG 1 HB2 ARG 1 9.645 -7.162 -1.374
6 HB3 ARG 1 HB3 ARG 1 9.248 -7.176 -3.071
7 HG2 ARG 1 HG2 ARG 1 9.001 -9.513 -1.209
8 HG3 ARG 1 HG3 ARG 1 7.675 -8.487 -1.751
9 HD2 ARG 1 HD2 ARG 1 8.284 -9.180 -4.107
10 HD3 ARG 1 HD3 ARG 1 9.368 -10.360 -3.373
11 HE ARG 1 HE ARG 1 6.450 -10.308 -3.012
12 HH11 ARG 1 HH11 ARG 1 9.455 -12.215 -3.164
13 HH12 ARG 1 HH12 ARG 1 8.661 -13.699 -2.995
14 HH21 ARG 1 HH21 ARG 1 5.385 -12.347 -2.885
15 HH22 ARG 1 HH22 ARG 1 6.278 -13.782 -2.901
16 H ASN 2 H ASN 2 13.421 -7.765 -1.663
17 HA ASN 2 HA ASN 2 14.915 -6.145 -1.535
18 HB2 ASN 2 HB2 ASN 2 14.772 -5.814 -4.004
19 HB3 ASN 2 HB3 ASN 2 13.402 -4.741 -3.783
20 HD21 ASN 2 HD21 ASN 2 16.795 -5.098 -3.489
21 HD22 ASN 2 HD22 ASN 2 17.181 -3.441 -3.230
22 H LYS 3 H LYS 3 14.794 -5.260 0.374
23 HA LYS 3 HA LYS 3 12.399 -3.924 1.199
24 HB2 LYS 3 HB2 LYS 3 13.801 -5.317 2.769
25 HB3 LYS 3 HB3 LYS 3 14.995 -4.018 2.746
26 HG2 LYS 3 HG2 LYS 3 12.706 -2.661 3.298
27 HG3 LYS 3 HG3 LYS 3 12.395 -4.190 4.099
28 HD2 LYS 3 HD2 LYS 3 13.401 -2.716 5.685
29 HD3 LYS 3 HD3 LYS 3 14.597 -3.953 5.272
30 HE2 LYS 3 HE2 LYS 3 15.763 -2.439 3.842
31 HE3 LYS 3 HE3 LYS 3 14.488 -1.239 3.940
32 HZ1 LYS 3 HZ1 LYS 3 16.239 -2.100 6.185
33 HZ2 LYS 3 HZ2 LYS 3 15.007 -0.960 6.284
34 HZ3 LYS 3 HZ3 LYS 3 16.358 -0.641 5.337
35 H LEU 4 H LEU 4 12.165 -2.115 0.146
36 HA LEU 4 HA LEU 4 14.118 -0.009 0.701
37 HB2 LEU 4 HB2 LEU 4 14.265 -0.798 -1.601
38 HB3 LEU 4 HB3 LEU 4 12.569 -0.429 -1.871
39 HG LEU 4 HG LEU 4 13.212 2.000 -1.363
40 HD11 LEU 4 HD11 LEU 4 15.366 1.505 -0.301
41 HD12 LEU 4 HD12 LEU 4 15.549 2.595 -1.676
42 HD13 LEU 4 HD13 LEU 4 15.969 0.892 -1.839
43 HD21 LEU 4 HD21 LEU 4 14.377 0.637 -3.782
44 HD22 LEU 4 HD22 LEU 4 14.051 2.365 -3.648
45 HD23 LEU 4 HD23 LEU 4 12.721 1.210 -3.614
46 H ALA 5 H ALA 5 13.137 1.947 1.216
47 HA ALA 5 HA ALA 5 10.620 1.859 2.419
48 HB1 ALA 5 HB1 ALA 5 12.183 4.285 1.535
49 HB2 ALA 5 HB2 ALA 5 12.371 3.448 3.077
50 HB3 ALA 5 HB3 ALA 5 10.860 4.270 2.701
51 H TYR 6 H TYR 6 11.593 2.824 -0.718
52 HA TYR 6 HA TYR 6 9.033 3.913 -1.395
53 HB2 TYR 6 HB2 TYR 6 11.388 3.253 -3.138
54 HB3 TYR 6 HB3 TYR 6 9.920 4.034 -3.725
55 HD1 TYR 6 HD1 TYR 6 9.328 6.313 -2.978
56 HD2 TYR 6 HD2 TYR 6 13.010 4.485 -1.871
57 HE1 TYR 6 HE1 TYR 6 10.208 8.503 -2.304
58 HE2 TYR 6 HE2 TYR 6 13.897 6.674 -1.185
59 HH TYR 6 HH TYR 6 13.470 9.043 -1.715
60 H ASN 7 H ASN 7 10.477 0.800 -1.607
61 HA ASN 7 HA ASN 7 8.491 -0.199 -3.452
62 HB2 ASN 7 HB2 ASN 7 10.430 -1.754 -1.712
63 HB3 ASN 7 HB3 ASN 7 9.330 -2.477 -2.868
64 HD21 ASN 7 HD21 ASN 7 12.140 -2.740 -2.795
65 HD22 ASN 7 HD22 ASN 7 12.780 -2.049 -4.222
66 H MET 8 H MET 8 9.236 -0.872 -0.089
67 HA MET 8 HA MET 8 6.677 -2.097 0.226
68 HB2 MET 8 HB2 MET 8 8.769 -1.569 2.327
69 HB3 MET 8 HB3 MET 8 7.311 -2.511 2.557
70 HG2 MET 8 HG2 MET 8 9.691 -3.177 0.837
71 HG3 MET 8 HG3 MET 8 9.079 -4.051 2.234
72 HE1 MET 8 HE1 MET 8 6.557 -5.270 2.165
73 HE2 MET 8 HE2 MET 8 5.655 -5.428 0.652
74 HE3 MET 8 HE3 MET 8 5.842 -3.849 1.392
75 H GLY 9 H GLY 9 8.182 0.690 1.831
76 HA2 GLY 9 HA2 GLY 9 5.902 1.354 3.355
77 HA3 GLY 9 HA3 GLY 9 7.270 2.406 3.058
78 H HIS 10 H HIS 10 7.105 2.741 0.328
79 HA HIS 10 HA HIS 10 5.116 4.772 0.131
80 HB2 HIS 10 HB2 HIS 10 7.261 4.783 -1.091
81 HB3 HIS 10 HB3 HIS 10 6.691 3.449 -2.092
82 HD1 HIS 10 HD1 HIS 10 4.639 6.484 -1.171
83 HD2 HIS 10 HD2 HIS 10 6.563 4.841 -4.458
84 HE1 HIS 10 HE1 HIS 10 3.986 7.866 -3.071
85 H TYR 11 H TYR 11 5.205 1.463 -1.098
86 HA TYR 11 HA TYR 11 2.650 1.669 -2.325
87 HB2 TYR 11 HB2 TYR 11 4.499 -0.520 -1.731
88 HB3 TYR 11 HB3 TYR 11 2.822 -0.940 -2.047
89 HD1 TYR 11 HD1 TYR 11 5.874 0.488 -3.527
90 HD2 TYR 11 HD2 TYR 11 1.880 -0.744 -4.186
91 HE1 TYR 11 HE1 TYR 11 6.256 0.602 -5.976
92 HE2 TYR 11 HE2 TYR 11 2.216 -0.649 -6.597
93 HH TYR 11 HH TYR 11 3.695 0.496 -8.194
94 H ALA 12 H ALA 12 3.756 0.736 0.844
95 HA ALA 12 HA ALA 12 1.518 -0.596 1.781
96 HB1 ALA 12 HB1 ALA 12 3.637 -0.417 3.009
97 HB2 ALA 12 HB2 ALA 12 2.252 0.007 4.021
98 HB3 ALA 12 HB3 ALA 12 3.277 1.273 3.352
99 H GLY 13 H GLY 13 2.226 2.845 1.948
100 HA2 GLY 13 HA2 GLY 13 -0.159 3.651 3.222
101 HA3 GLY 13 HA3 GLY 13 0.852 4.660 2.201
102 H LYS 14 H LYS 14 0.635 3.180 -0.159
103 HA LYS 14 HA LYS 14 -1.847 4.314 -1.015
104 HB2 LYS 14 HB2 LYS 14 0.484 3.099 -2.430
105 HB3 LYS 14 HB3 LYS 14 -1.038 3.214 -3.285
106 HG2 LYS 14 HG2 LYS 14 0.378 5.090 -3.899
107 HG3 LYS 14 HG3 LYS 14 -0.992 5.681 -2.990
108 HD2 LYS 14 HD2 LYS 14 1.686 5.205 -1.673
109 HD3 LYS 14 HD3 LYS 14 1.344 6.699 -2.537
110 HE2 LYS 14 HE2 LYS 14 -0.577 7.096 -1.040
111 HE3 LYS 14 HE3 LYS 14 -0.197 5.620 -0.170
112 HZ1 LYS 14 HZ1 LYS 14 2.007 6.680 0.403
113 HZ2 LYS 14 HZ2 LYS 14 0.680 7.422 1.045
114 HZ3 LYS 14 HZ3 LYS 14 1.425 8.120 -0.274
115 H ALA 15 H ALA 15 -0.624 1.110 -0.423
116 HA ALA 15 HA ALA 15 -2.789 -0.255 -1.622
117 HB1 ALA 15 HB1 ALA 15 -0.846 -1.241 0.469
118 HB2 ALA 15 HB2 ALA 15 -0.642 -1.358 -1.285
119 HB3 ALA 15 HB3 ALA 15 -1.955 -2.228 -0.483
120 H THR 16 H THR 16 -2.233 1.026 1.573
121 HA THR 16 HA THR 16 -4.484 -0.294 2.674
122 HB THR 16 HB THR 16 -3.196 2.236 3.725
123 HG1 THR 16 HG1 THR 16 -2.644 -0.496 4.398
124 HG21 THR 16 HG21 THR 16 -5.361 1.642 4.741
125 HG22 THR 16 HG22 THR 16 -4.041 1.425 5.899
126 HG23 THR 16 HG23 THR 16 -4.745 0.026 5.078
127 H ILE 17 H ILE 17 -4.016 2.873 1.143
128 HA ILE 17 HA ILE 17 -6.760 3.452 1.685
129 HB ILE 17 HB ILE 17 -5.349 5.389 1.591
130 HG12 ILE 17 HG12 ILE 17 -7.159 5.397 -0.837
131 HG13 ILE 17 HG13 ILE 17 -7.688 5.643 0.818
132 HG21 ILE 17 HG21 ILE 17 -4.223 6.168 -0.446
133 HG22 ILE 17 HG22 ILE 17 -4.698 4.675 -1.262
134 HG23 ILE 17 HG23 ILE 17 -3.608 4.617 0.126
135 HD11 ILE 17 HD11 ILE 17 -7.543 7.740 -0.379
136 HD12 ILE 17 HD12 ILE 17 -5.847 7.437 -0.753
137 HD13 ILE 17 HD13 ILE 17 -6.353 7.697 0.921
138 H PHE 18 H PHE 18 -5.032 2.659 -1.328
139 HA PHE 18 HA PHE 18 -7.505 2.557 -2.762
140 HB2 PHE 18 HB2 PHE 18 -4.715 1.872 -3.651
141 HB3 PHE 18 HB3 PHE 18 -6.117 1.964 -4.710
142 HD1 PHE 18 HD1 PHE 18 -7.524 4.271 -4.022
143 HD2 PHE 18 HD2 PHE 18 -3.325 3.660 -3.951
144 HE1 PHE 18 HE1 PHE 18 -7.174 6.699 -4.318
145 HE2 PHE 18 HE2 PHE 18 -2.959 6.074 -4.238
146 HZ PHE 18 HZ PHE 18 -4.885 7.596 -4.418
147 H GLY 19 H GLY 19 -5.053 0.143 -1.982
148 HA2 GLY 19 HA2 GLY 19 -6.364 -2.067 -3.114
149 HA3 GLY 19 HA3 GLY 19 -5.135 -2.125 -1.848
150 H LEU 20 H LEU 20 -6.148 -1.082 0.255
151 HA LEU 20 HA LEU 20 -7.852 -3.031 1.267
152 HB2 LEU 20 HB2 LEU 20 -6.342 -1.143 2.369
153 HB3 LEU 20 HB3 LEU 20 -7.915 -0.390 2.556
154 HG LEU 20 HG LEU 20 -8.640 -2.576 3.586
155 HD11 LEU 20 HD11 LEU 20 -6.836 -3.910 4.590
156 HD12 LEU 20 HD12 LEU 20 -5.663 -2.850 3.795
157 HD13 LEU 20 HD13 LEU 20 -6.705 -3.871 2.820
158 HD21 LEU 20 HD21 LEU 20 -6.619 -0.837 5.009
159 HD22 LEU 20 HD22 LEU 20 -7.774 -1.916 5.786
160 HD23 LEU 20 HD23 LEU 20 -8.350 -0.526 4.866
161 H ALA 21 H ALA 21 -8.635 0.081 -0.251
162 HA ALA 21 HA ALA 21 -11.260 0.372 0.487
163 HB1 ALA 21 HB1 ALA 21 -10.099 0.962 -2.227
164 HB2 ALA 21 HB2 ALA 21 -10.000 2.024 -0.819
165 HB3 ALA 21 HB3 ALA 21 -11.570 1.657 -1.540
166 H ALA 22 H ALA 22 -9.926 -2.058 -1.615
167 HA ALA 22 HA ALA 22 -12.344 -2.677 -2.966
168 HB1 ALA 22 HB1 ALA 22 -11.295 -4.778 -3.553
169 HB2 ALA 22 HB2 ALA 22 -10.017 -4.500 -2.375
170 HB3 ALA 22 HB3 ALA 22 -10.155 -3.453 -3.798
171 H TRP 23 H TRP 23 -10.949 -3.663 0.073
172 HA TRP 23 HA TRP 23 -13.129 -5.523 0.482
173 HB2 TRP 23 HB2 TRP 23 -10.478 -5.526 1.262
174 HB3 TRP 23 HB3 TRP 23 -11.365 -5.176 2.741
175 HD1 TRP 23 HD1 TRP 23 -11.847 -7.385 3.992
176 HE1 TRP 23 HE1 TRP 23 -12.523 -9.772 3.329
177 HE3 TRP 23 HE3 TRP 23 -11.869 -6.796 -1.066
178 HZ2 TRP 23 HZ2 TRP 23 -13.027 -11.223 0.906
179 HZ3 TRP 23 HZ3 TRP 23 -12.461 -8.670 -2.486
180 HH2 TRP 23 HH2 TRP 23 -13.031 -10.862 -1.529
181 H ALA 24 H ALA 24 -11.949 -2.503 1.678
182 HA ALA 24 HA ALA 24 -13.874 -2.286 3.759
183 HB1 ALA 24 HB1 ALA 24 -11.706 -1.179 3.869
184 HB2 ALA 24 HB2 ALA 24 -13.033 -0.033 4.054
185 HB3 ALA 24 HB3 ALA 24 -12.171 -0.144 2.519
186 H LEU 25 H LEU 25 -13.481 -0.504 0.729
187 HA LEU 25 HA LEU 25 -16.010 0.837 1.022
188 HB2 LEU 25 HB2 LEU 25 -13.883 1.883 0.193
189 HB3 LEU 25 HB3 LEU 25 -14.035 0.911 -1.221
190 HG LEU 25 HG LEU 25 -16.150 2.003 -1.843
191 HD11 LEU 25 HD11 LEU 25 -15.616 3.783 0.533
192 HD12 LEU 25 HD12 LEU 25 -16.969 2.661 0.339
193 HD13 LEU 25 HD13 LEU 25 -16.831 4.067 -0.709
194 HD21 LEU 25 HD21 LEU 25 -13.855 3.903 -1.366
195 HD22 LEU 25 HD22 LEU 25 -15.176 4.162 -2.504
196 HD23 LEU 25 HD23 LEU 25 -14.043 2.840 -2.758
197 H LEU 26 H LEU 26 -14.583 -1.539 -1.189
198 HA LEU 26 HA LEU 26 -16.834 -1.514 -2.963
199 HB2 LEU 26 HB2 LEU 26 -14.608 -1.682 -3.844
200 HB3 LEU 26 HB3 LEU 26 -14.293 -3.110 -2.884
201 HG LEU 26 HG LEU 26 -16.099 -4.232 -4.214
202 HD11 LEU 26 HD11 LEU 26 -16.557 -3.334 -6.452
203 HD12 LEU 26 HD12 LEU 26 -15.707 -1.846 -6.010
204 HD13 LEU 26 HD13 LEU 26 -17.181 -2.307 -5.160
205 HD21 LEU 26 HD21 LEU 26 -14.566 -4.744 -6.071
206 HD22 LEU 26 HD22 LEU 26 -13.761 -4.744 -4.512
207 HD23 LEU 26 HD23 LEU 26 -13.567 -3.366 -5.602
208 H ALA 27 H ALA 27 -15.998 -3.238 -0.250
209 HA ALA 27 HA ALA 27 -17.805 -5.424 -1.018
210 HB1 ALA 27 HB1 ALA 27 -15.819 -5.419 1.257
211 HB2 ALA 27 HB2 ALA 27 -15.551 -6.145 -0.321
212 HB3 ALA 27 HB3 ALA 27 -16.805 -6.785 0.738
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 13.597 -10.964 -3.852
2 H2 ARG 1 HT2 ARG 1 13.617 -9.486 -4.695
3 H3 ARG 1 HT3 ARG 1 12.429 -9.792 -3.571
4 HA ARG 1 HA ARG 1 13.952 -9.714 -1.764
5 HB2 ARG 1 HB2 ARG 1 16.023 -9.195 -3.914
6 HB3 ARG 1 HB3 ARG 1 16.295 -9.025 -2.194
7 HG2 ARG 1 HG2 ARG 1 15.688 -11.581 -3.661
8 HG3 ARG 1 HG3 ARG 1 17.253 -11.069 -3.055
9 HD2 ARG 1 HD2 ARG 1 16.389 -11.088 -0.775
10 HD3 ARG 1 HD3 ARG 1 14.818 -11.617 -1.376
11 HE ARG 1 HE ARG 1 17.059 -13.281 -2.115
12 HH11 ARG 1 HH11 ARG 1 14.582 -12.769 0.365
13 HH12 ARG 1 HH12 ARG 1 14.475 -14.404 0.779
14 HH21 ARG 1 HH21 ARG 1 16.939 -15.485 -1.509
15 HH22 ARG 1 HH22 ARG 1 15.890 -15.995 -0.268
16 H ASN 2 H ASN 2 15.032 -7.714 -1.046
17 HA ASN 2 HA ASN 2 15.404 -5.560 -0.852
18 HB2 ASN 2 HB2 ASN 2 14.696 -5.354 -3.770
19 HB3 ASN 2 HB3 ASN 2 15.203 -3.979 -2.799
20 HD21 ASN 2 HD21 ASN 2 17.274 -3.932 -2.022
21 HD22 ASN 2 HD22 ASN 2 18.563 -4.857 -2.698
22 H LYS 3 H LYS 3 14.475 -3.526 -0.591
23 HA LYS 3 HA LYS 3 11.644 -3.182 -0.914
24 HB2 LYS 3 HB2 LYS 3 11.269 -2.680 1.452
25 HB3 LYS 3 HB3 LYS 3 11.739 -4.360 1.239
26 HG2 LYS 3 HG2 LYS 3 13.842 -4.031 2.080
27 HG3 LYS 3 HG3 LYS 3 13.741 -2.288 1.764
28 HD2 LYS 3 HD2 LYS 3 12.033 -3.687 3.823
29 HD3 LYS 3 HD3 LYS 3 13.602 -2.982 4.223
30 HE2 LYS 3 HE2 LYS 3 12.809 -0.796 3.392
31 HE3 LYS 3 HE3 LYS 3 11.241 -1.492 3.044
32 HZ1 LYS 3 HZ1 LYS 3 11.265 -0.291 5.121
33 HZ2 LYS 3 HZ2 LYS 3 12.452 -1.277 5.752
34 HZ3 LYS 3 HZ3 LYS 3 10.923 -1.901 5.385
35 H LEU 4 H LEU 4 11.226 -0.928 0.285
36 HA LEU 4 HA LEU 4 13.350 0.920 0.425
37 HB2 LEU 4 HB2 LEU 4 13.167 0.429 -2.057
38 HB3 LEU 4 HB3 LEU 4 11.549 1.098 -2.008
39 HG LEU 4 HG LEU 4 12.603 3.278 -1.242
40 HD11 LEU 4 HD11 LEU 4 14.722 2.368 -0.440
41 HD12 LEU 4 HD12 LEU 4 14.976 3.583 -1.698
42 HD13 LEU 4 HD13 LEU 4 15.133 1.873 -2.081
43 HD21 LEU 4 HD21 LEU 4 11.872 2.924 -3.535
44 HD22 LEU 4 HD22 LEU 4 13.433 2.208 -3.936
45 HD23 LEU 4 HD23 LEU 4 13.333 3.908 -3.483
46 H ALA 5 H ALA 5 12.339 3.060 0.785
47 HA ALA 5 HA ALA 5 10.066 2.955 2.381
48 HB1 ALA 5 HB1 ALA 5 11.775 4.704 2.501
49 HB2 ALA 5 HB2 ALA 5 10.159 5.397 2.322
50 HB3 ALA 5 HB3 ALA 5 11.249 5.299 0.931
51 H TYR 6 H TYR 6 10.453 3.628 -0.969
52 HA TYR 6 HA TYR 6 7.700 4.346 -1.363
53 HB2 TYR 6 HB2 TYR 6 9.861 3.724 -3.348
54 HB3 TYR 6 HB3 TYR 6 8.240 4.216 -3.816
55 HD1 TYR 6 HD1 TYR 6 11.403 5.310 -2.332
56 HD2 TYR 6 HD2 TYR 6 7.484 6.473 -3.484
57 HE1 TYR 6 HE1 TYR 6 12.043 7.666 -2.123
58 HE2 TYR 6 HE2 TYR 6 8.099 8.820 -3.280
59 HH TYR 6 HH TYR 6 11.358 9.782 -2.977
60 H ASN 7 H ASN 7 9.501 1.503 -1.334
61 HA ASN 7 HA ASN 7 7.655 -0.109 -2.849
62 HB2 ASN 7 HB2 ASN 7 10.026 -0.722 -2.750
63 HB3 ASN 7 HB3 ASN 7 9.924 -0.899 -1.006
64 HD21 ASN 7 HD21 ASN 7 9.301 -2.316 -4.047
65 HD22 ASN 7 HD22 ASN 7 8.775 -3.863 -3.489
66 H MET 8 H MET 8 8.671 -0.108 0.526
67 HA MET 8 HA MET 8 6.315 -1.529 1.185
68 HB2 MET 8 HB2 MET 8 8.637 -0.690 2.819
69 HB3 MET 8 HB3 MET 8 7.196 -1.351 3.587
70 HG2 MET 8 HG2 MET 8 8.739 -2.778 1.428
71 HG3 MET 8 HG3 MET 8 9.122 -2.925 3.132
72 HE1 MET 8 HE1 MET 8 5.273 -3.057 1.386
73 HE2 MET 8 HE2 MET 8 5.383 -4.771 1.040
74 HE3 MET 8 HE3 MET 8 6.521 -3.654 0.291
75 H GLY 9 H GLY 9 7.508 1.627 2.330
76 HA2 GLY 9 HA2 GLY 9 5.226 2.117 3.902
77 HA3 GLY 9 HA3 GLY 9 6.425 3.303 3.415
78 H HIS 10 H HIS 10 6.126 3.305 0.706
79 HA HIS 10 HA HIS 10 3.828 4.995 0.382
80 HB2 HIS 10 HB2 HIS 10 5.995 5.128 -0.894
81 HB3 HIS 10 HB3 HIS 10 5.456 3.721 -1.814
82 HD1 HIS 10 HD1 HIS 10 3.854 7.041 -0.842
83 HD2 HIS 10 HD2 HIS 10 4.482 4.602 -4.130
84 HE1 HIS 10 HE1 HIS 10 2.744 8.177 -2.727
85 H TYR 11 H TYR 11 4.437 1.619 -0.553
86 HA TYR 11 HA TYR 11 1.871 1.356 -1.705
87 HB2 TYR 11 HB2 TYR 11 4.035 -0.530 -1.058
88 HB3 TYR 11 HB3 TYR 11 2.414 -1.189 -1.257
89 HD1 TYR 11 HD1 TYR 11 1.270 -1.022 -3.371
90 HD2 TYR 11 HD2 TYR 11 5.262 0.336 -2.941
91 HE1 TYR 11 HE1 TYR 11 1.498 -1.041 -5.773
92 HE2 TYR 11 HE2 TYR 11 5.528 0.337 -5.389
93 HH TYR 11 HH TYR 11 4.501 -0.869 -7.285
94 H ALA 12 H ALA 12 3.085 0.806 1.541
95 HA ALA 12 HA ALA 12 0.899 -0.613 2.515
96 HB1 ALA 12 HB1 ALA 12 2.603 1.386 3.985
97 HB2 ALA 12 HB2 ALA 12 2.986 -0.317 3.757
98 HB3 ALA 12 HB3 ALA 12 1.586 0.151 4.731
99 H GLY 13 H GLY 13 1.478 2.847 2.349
100 HA2 GLY 13 HA2 GLY 13 -1.033 3.577 3.472
101 HA3 GLY 13 HA3 GLY 13 0.010 4.641 2.542
102 H LYS 14 H LYS 14 0.147 3.185 0.175
103 HA LYS 14 HA LYS 14 -2.124 4.005 -1.227
104 HB2 LYS 14 HB2 LYS 14 0.377 2.764 -1.793
105 HB3 LYS 14 HB3 LYS 14 -0.887 1.916 -2.674
106 HG2 LYS 14 HG2 LYS 14 0.150 3.692 -3.986
107 HG3 LYS 14 HG3 LYS 14 -1.567 3.977 -3.731
108 HD2 LYS 14 HD2 LYS 14 -1.026 5.599 -1.966
109 HD3 LYS 14 HD3 LYS 14 0.698 5.254 -2.190
110 HE2 LYS 14 HE2 LYS 14 0.662 6.123 -4.388
111 HE3 LYS 14 HE3 LYS 14 -1.103 6.289 -4.371
112 HZ1 LYS 14 HZ1 LYS 14 -0.837 7.957 -2.648
113 HZ2 LYS 14 HZ2 LYS 14 0.000 8.395 -4.036
114 HZ3 LYS 14 HZ3 LYS 14 0.835 7.791 -2.713
115 H ALA 15 H ALA 15 -1.247 0.823 -0.024
116 HA ALA 15 HA ALA 15 -3.526 -0.475 -1.110
117 HB1 ALA 15 HB1 ALA 15 -1.487 -1.707 -0.549
118 HB2 ALA 15 HB2 ALA 15 -2.905 -2.370 0.278
119 HB3 ALA 15 HB3 ALA 15 -1.751 -1.372 1.167
120 H THR 16 H THR 16 -2.957 1.295 1.783
121 HA THR 16 HA THR 16 -5.280 0.364 3.125
122 HB THR 16 HB THR 16 -3.705 2.911 3.658
123 HG1 THR 16 HG1 THR 16 -2.351 1.076 3.880
124 HG21 THR 16 HG21 THR 16 -5.535 1.279 5.418
125 HG22 THR 16 HG22 THR 16 -5.941 2.837 4.697
126 HG23 THR 16 HG23 THR 16 -4.661 2.729 5.908
127 H ILE 17 H ILE 17 -4.507 3.147 1.047
128 HA ILE 17 HA ILE 17 -7.195 4.058 1.334
129 HB ILE 17 HB ILE 17 -5.546 5.780 0.959
130 HG12 ILE 17 HG12 ILE 17 -6.541 6.997 -1.002
131 HG13 ILE 17 HG13 ILE 17 -7.407 5.525 -1.402
132 HG21 ILE 17 HG21 ILE 17 -4.952 4.530 -1.692
133 HG22 ILE 17 HG22 ILE 17 -3.884 4.605 -0.292
134 HG23 ILE 17 HG23 ILE 17 -4.339 6.088 -1.138
135 HD11 ILE 17 HD11 ILE 17 -8.589 5.620 0.715
136 HD12 ILE 17 HD12 ILE 17 -8.826 7.101 -0.206
137 HD13 ILE 17 HD13 ILE 17 -7.708 7.080 1.160
138 H PHE 18 H PHE 18 -5.453 2.515 -1.351
139 HA PHE 18 HA PHE 18 -7.893 2.356 -2.821
140 HB2 PHE 18 HB2 PHE 18 -5.180 1.226 -3.459
141 HB3 PHE 18 HB3 PHE 18 -6.576 1.191 -4.538
142 HD1 PHE 18 HD1 PHE 18 -3.658 2.868 -3.915
143 HD2 PHE 18 HD2 PHE 18 -7.770 3.617 -4.629
144 HE1 PHE 18 HE1 PHE 18 -3.107 5.139 -4.699
145 HE2 PHE 18 HE2 PHE 18 -7.230 5.877 -5.428
146 HZ PHE 18 HZ PHE 18 -4.896 6.638 -5.458
147 H GLY 19 H GLY 19 -5.694 -0.229 -1.695
148 HA2 GLY 19 HA2 GLY 19 -7.346 -2.358 -2.339
149 HA3 GLY 19 HA3 GLY 19 -6.091 -2.392 -1.104
150 H LEU 20 H LEU 20 -6.983 -0.763 0.792
151 HA LEU 20 HA LEU 20 -9.048 -2.232 1.983
152 HB2 LEU 20 HB2 LEU 20 -7.490 0.057 2.765
153 HB3 LEU 20 HB3 LEU 20 -9.143 0.103 3.374
154 HG LEU 20 HG LEU 20 -8.761 -2.218 4.155
155 HD11 LEU 20 HD11 LEU 20 -6.452 -2.931 4.602
156 HD12 LEU 20 HD12 LEU 20 -5.854 -1.495 3.793
157 HD13 LEU 20 HD13 LEU 20 -6.729 -2.718 2.870
158 HD21 LEU 20 HD21 LEU 20 -7.212 0.027 5.391
159 HD22 LEU 20 HD22 LEU 20 -7.642 -1.484 6.220
160 HD23 LEU 20 HD23 LEU 20 -8.908 -0.390 5.642
161 H ALA 21 H ALA 21 -9.290 0.642 0.055
162 HA ALA 21 HA ALA 21 -11.962 1.272 0.695
163 HB1 ALA 21 HB1 ALA 21 -10.558 2.780 -0.631
164 HB2 ALA 21 HB2 ALA 21 -12.073 2.419 -1.457
165 HB3 ALA 21 HB3 ALA 21 -10.578 1.621 -1.957
166 H ALA 22 H ALA 22 -10.586 -1.162 -1.358
167 HA ALA 22 HA ALA 22 -13.076 -1.887 -2.592
168 HB1 ALA 22 HB1 ALA 22 -10.545 -3.495 -2.328
169 HB2 ALA 22 HB2 ALA 22 -10.921 -2.403 -3.664
170 HB3 ALA 22 HB3 ALA 22 -11.902 -3.850 -3.395
171 H TRP 23 H TRP 23 -11.469 -2.777 0.330
172 HA TRP 23 HA TRP 23 -13.402 -4.903 0.665
173 HB2 TRP 23 HB2 TRP 23 -10.818 -4.768 1.465
174 HB3 TRP 23 HB3 TRP 23 -11.650 -4.198 2.899
175 HD1 TRP 23 HD1 TRP 23 -11.783 -6.174 4.536
176 HE1 TRP 23 HE1 TRP 23 -12.623 -8.588 4.395
177 HE3 TRP 23 HE3 TRP 23 -12.693 -6.419 -0.498
178 HZ2 TRP 23 HZ2 TRP 23 -13.551 -10.378 2.404
179 HZ3 TRP 23 HZ3 TRP 23 -13.555 -8.466 -1.442
180 HH2 TRP 23 HH2 TRP 23 -13.982 -10.444 -0.022
181 H ALA 24 H ALA 24 -12.612 -1.830 2.173
182 HA ALA 24 HA ALA 24 -14.759 -1.990 4.043
183 HB1 ALA 24 HB1 ALA 24 -13.148 0.392 3.181
184 HB2 ALA 24 HB2 ALA 24 -12.716 -0.735 4.464
185 HB3 ALA 24 HB3 ALA 24 -14.159 0.277 4.628
186 H LEU 25 H LEU 25 -14.275 -0.051 1.114
187 HA LEU 25 HA LEU 25 -16.918 1.027 1.372
188 HB2 LEU 25 HB2 LEU 25 -14.741 1.518 -0.610
189 HB3 LEU 25 HB3 LEU 25 -16.339 2.252 -0.725
190 HG LEU 25 HG LEU 25 -14.302 2.628 1.497
191 HD11 LEU 25 HD11 LEU 25 -13.667 3.758 -0.560
192 HD12 LEU 25 HD12 LEU 25 -14.152 4.927 0.672
193 HD13 LEU 25 HD13 LEU 25 -15.255 4.518 -0.639
194 HD21 LEU 25 HD21 LEU 25 -16.563 2.756 2.394
195 HD22 LEU 25 HD22 LEU 25 -17.020 3.894 1.128
196 HD23 LEU 25 HD23 LEU 25 -15.834 4.361 2.346
197 H LEU 26 H LEU 26 -15.518 -1.537 -0.461
198 HA LEU 26 HA LEU 26 -17.797 -1.497 -2.299
199 HB2 LEU 26 HB2 LEU 26 -15.686 -1.579 -3.408
200 HB3 LEU 26 HB3 LEU 26 -15.149 -2.894 -2.393
201 HG LEU 26 HG LEU 26 -16.996 -4.256 -3.445
202 HD11 LEU 26 HD11 LEU 26 -16.922 -2.058 -5.495
203 HD12 LEU 26 HD12 LEU 26 -18.297 -2.515 -4.479
204 HD13 LEU 26 HD13 LEU 26 -17.692 -3.628 -5.696
205 HD21 LEU 26 HD21 LEU 26 -15.603 -4.775 -5.421
206 HD22 LEU 26 HD22 LEU 26 -14.727 -4.733 -3.906
207 HD23 LEU 26 HD23 LEU 26 -14.597 -3.372 -5.040
208 H ALA 27 H ALA 27 -16.499 -3.241 0.223
209 HA ALA 27 HA ALA 27 -18.252 -5.549 -0.366
210 HB1 ALA 27 HB1 ALA 27 -15.881 -6.108 -0.161
211 HB2 ALA 27 HB2 ALA 27 -16.834 -6.900 1.097
212 HB3 ALA 27 HB3 ALA 27 -15.869 -5.479 1.482
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 16.640 -5.274 -4.035
2 H2 ARG 1 HT2 ARG 1 16.777 -6.915 -3.913
3 H3 ARG 1 HT3 ARG 1 18.055 -5.956 -3.377
4 HA ARG 1 HA ARG 1 16.843 -6.762 -1.492
5 HB2 ARG 1 HB2 ARG 1 15.886 -3.961 -2.151
6 HB3 ARG 1 HB3 ARG 1 15.837 -4.695 -0.563
7 HG2 ARG 1 HG2 ARG 1 18.339 -4.081 -2.122
8 HG3 ARG 1 HG3 ARG 1 17.658 -3.091 -0.831
9 HD2 ARG 1 HD2 ARG 1 17.912 -4.964 0.721
10 HD3 ARG 1 HD3 ARG 1 18.633 -5.930 -0.564
11 HE ARG 1 HE ARG 1 20.046 -3.537 -0.335
12 HH11 ARG 1 HH11 ARG 1 19.552 -6.579 1.421
13 HH12 ARG 1 HH12 ARG 1 21.003 -6.476 2.291
14 HH21 ARG 1 HH21 ARG 1 22.082 -3.418 0.895
15 HH22 ARG 1 HH22 ARG 1 22.452 -4.654 1.997
16 H ASN 2 H ASN 2 14.621 -6.460 -0.412
17 HA ASN 2 HA ASN 2 12.527 -6.993 -2.392
18 HB2 ASN 2 HB2 ASN 2 13.017 -8.249 0.297
19 HB3 ASN 2 HB3 ASN 2 11.425 -8.274 -0.434
20 HD21 ASN 2 HD21 ASN 2 11.062 -9.539 -2.183
21 HD22 ASN 2 HD22 ASN 2 12.170 -10.746 -2.736
22 H LYS 3 H LYS 3 13.297 -5.698 0.706
23 HA LYS 3 HA LYS 3 10.753 -4.264 0.810
24 HB2 LYS 3 HB2 LYS 3 11.486 -5.583 2.771
25 HB3 LYS 3 HB3 LYS 3 12.929 -4.599 2.877
26 HG2 LYS 3 HG2 LYS 3 11.131 -2.647 2.986
27 HG3 LYS 3 HG3 LYS 3 10.111 -3.959 3.583
28 HD2 LYS 3 HD2 LYS 3 11.119 -2.855 5.443
29 HD3 LYS 3 HD3 LYS 3 11.860 -4.447 5.285
30 HE2 LYS 3 HE2 LYS 3 13.766 -3.371 4.047
31 HE3 LYS 3 HE3 LYS 3 12.997 -1.821 4.319
32 HZ1 LYS 3 HZ1 LYS 3 13.962 -3.665 6.420
33 HZ2 LYS 3 HZ2 LYS 3 13.209 -2.193 6.693
34 HZ3 LYS 3 HZ3 LYS 3 14.713 -2.235 5.928
35 H LEU 4 H LEU 4 10.773 -2.021 1.182
36 HA LEU 4 HA LEU 4 13.185 -0.475 1.205
37 HB2 LEU 4 HB2 LEU 4 12.809 -0.931 -1.180
38 HB3 LEU 4 HB3 LEU 4 11.186 -0.263 -1.075
39 HG LEU 4 HG LEU 4 12.322 1.934 -0.415
40 HD11 LEU 4 HD11 LEU 4 14.498 1.010 0.166
41 HD12 LEU 4 HD12 LEU 4 14.610 2.252 -1.077
42 HD13 LEU 4 HD13 LEU 4 14.749 0.555 -1.523
43 HD21 LEU 4 HD21 LEU 4 12.808 2.534 -2.729
44 HD22 LEU 4 HD22 LEU 4 11.330 1.580 -2.598
45 HD23 LEU 4 HD23 LEU 4 12.822 0.827 -3.170
46 H ALA 5 H ALA 5 12.622 1.705 1.759
47 HA ALA 5 HA ALA 5 10.519 2.046 3.552
48 HB1 ALA 5 HB1 ALA 5 12.010 4.167 2.009
49 HB2 ALA 5 HB2 ALA 5 12.546 3.417 3.502
50 HB3 ALA 5 HB3 ALA 5 11.089 4.420 3.498
51 H TYR 6 H TYR 6 10.788 2.993 0.235
52 HA TYR 6 HA TYR 6 8.142 4.040 0.112
53 HB2 TYR 6 HB2 TYR 6 10.130 3.452 -2.072
54 HB3 TYR 6 HB3 TYR 6 8.525 4.096 -2.396
55 HD1 TYR 6 HD1 TYR 6 11.751 4.831 -0.727
56 HD2 TYR 6 HD2 TYR 6 7.996 6.352 -2.004
57 HE1 TYR 6 HE1 TYR 6 12.521 7.112 -0.253
58 HE2 TYR 6 HE2 TYR 6 8.748 8.628 -1.553
59 HH TYR 6 HH TYR 6 12.038 9.353 -0.865
60 H ASN 7 H ASN 7 9.407 0.943 -0.179
61 HA ASN 7 HA ASN 7 7.253 -0.144 -1.747
62 HB2 ASN 7 HB2 ASN 7 9.412 -1.322 -1.715
63 HB3 ASN 7 HB3 ASN 7 9.269 -1.537 0.024
64 HD21 ASN 7 HD21 ASN 7 8.012 -2.502 -3.060
65 HD22 ASN 7 HD22 ASN 7 7.257 -3.969 -2.549
66 H MET 8 H MET 8 8.206 -0.471 1.613
67 HA MET 8 HA MET 8 5.633 -1.484 2.266
68 HB2 MET 8 HB2 MET 8 8.000 -0.895 4.013
69 HB3 MET 8 HB3 MET 8 6.464 -1.453 4.654
70 HG2 MET 8 HG2 MET 8 7.932 -3.009 2.546
71 HG3 MET 8 HG3 MET 8 8.316 -3.155 4.255
72 HE1 MET 8 HE1 MET 8 5.709 -3.743 1.413
73 HE2 MET 8 HE2 MET 8 4.506 -2.985 2.498
74 HE3 MET 8 HE3 MET 8 4.469 -4.705 2.193
75 H GLY 9 H GLY 9 7.311 1.498 3.218
76 HA2 GLY 9 HA2 GLY 9 5.127 2.371 4.828
77 HA3 GLY 9 HA3 GLY 9 6.559 3.290 4.395
78 H HIS 10 H HIS 10 6.341 3.366 1.666
79 HA HIS 10 HA HIS 10 4.436 5.496 1.371
80 HB2 HIS 10 HB2 HIS 10 6.610 5.383 0.189
81 HB3 HIS 10 HB3 HIS 10 5.979 4.048 -0.781
82 HD1 HIS 10 HD1 HIS 10 5.074 7.641 0.024
83 HD2 HIS 10 HD2 HIS 10 4.871 4.875 -3.037
84 HE1 HIS 10 HE1 HIS 10 3.994 8.811 -1.810
85 H TYR 11 H TYR 11 4.506 2.153 0.172
86 HA TYR 11 HA TYR 11 1.979 2.425 -1.059
87 HB2 TYR 11 HB2 TYR 11 3.600 0.016 -0.387
88 HB3 TYR 11 HB3 TYR 11 1.954 -0.155 -0.984
89 HD1 TYR 11 HD1 TYR 11 1.364 0.643 -3.220
90 HD2 TYR 11 HD2 TYR 11 5.370 0.621 -1.865
91 HE1 TYR 11 HE1 TYR 11 2.123 0.869 -5.538
92 HE2 TYR 11 HE2 TYR 11 6.171 0.849 -4.199
93 HH TYR 11 HH TYR 11 5.327 0.376 -6.459
94 H ALA 12 H ALA 12 2.920 1.643 2.209
95 HA ALA 12 HA ALA 12 0.526 0.542 3.087
96 HB1 ALA 12 HB1 ALA 12 2.520 0.691 4.503
97 HB2 ALA 12 HB2 ALA 12 1.104 1.366 5.316
98 HB3 ALA 12 HB3 ALA 12 2.315 2.439 4.599
99 H GLY 13 H GLY 13 1.429 3.909 2.709
100 HA2 GLY 13 HA2 GLY 13 -1.062 4.926 3.676
101 HA3 GLY 13 HA3 GLY 13 0.135 5.835 2.763
102 H LYS 14 H LYS 14 0.249 4.346 0.458
103 HA LYS 14 HA LYS 14 -2.047 5.445 -0.793
104 HB2 LYS 14 HB2 LYS 14 0.410 4.133 -1.852
105 HB3 LYS 14 HB3 LYS 14 -0.983 4.302 -2.910
106 HG2 LYS 14 HG2 LYS 14 0.606 6.172 -3.170
107 HG3 LYS 14 HG3 LYS 14 -0.975 6.713 -2.615
108 HD2 LYS 14 HD2 LYS 14 -0.040 6.729 -0.277
109 HD3 LYS 14 HD3 LYS 14 1.532 6.387 -0.981
110 HE2 LYS 14 HE2 LYS 14 1.453 8.453 -2.258
111 HE3 LYS 14 HE3 LYS 14 -0.171 8.776 -1.658
112 HZ1 LYS 14 HZ1 LYS 14 1.477 10.030 -0.398
113 HZ2 LYS 14 HZ2 LYS 14 2.292 8.628 -0.011
114 HZ3 LYS 14 HZ3 LYS 14 0.755 8.886 0.601
115 H ALA 15 H ALA 15 -1.186 2.215 0.102
116 HA ALA 15 HA ALA 15 -3.299 1.055 -1.408
117 HB1 ALA 15 HB1 ALA 15 -1.805 -0.108 0.944
118 HB2 ALA 15 HB2 ALA 15 -1.364 -0.307 -0.757
119 HB3 ALA 15 HB3 ALA 15 -2.869 -0.989 -0.149
120 H THR 16 H THR 16 -3.029 2.488 1.732
121 HA THR 16 HA THR 16 -5.514 1.395 2.576
122 HB THR 16 HB THR 16 -4.056 3.744 3.811
123 HG1 THR 16 HG1 THR 16 -2.679 2.010 3.989
124 HG21 THR 16 HG21 THR 16 -5.324 3.108 5.821
125 HG22 THR 16 HG22 THR 16 -6.077 1.791 4.911
126 HG23 THR 16 HG23 THR 16 -6.420 3.461 4.475
127 H ILE 17 H ILE 17 -4.498 4.456 1.117
128 HA ILE 17 HA ILE 17 -7.198 5.377 1.269
129 HB ILE 17 HB ILE 17 -5.447 7.052 1.337
130 HG12 ILE 17 HG12 ILE 17 -6.255 8.645 -0.422
131 HG13 ILE 17 HG13 ILE 17 -7.163 7.312 -1.127
132 HG21 ILE 17 HG21 ILE 17 -3.744 6.070 0.006
133 HG22 ILE 17 HG22 ILE 17 -4.105 7.687 -0.610
134 HG23 ILE 17 HG23 ILE 17 -4.706 6.261 -1.463
135 HD11 ILE 17 HD11 ILE 17 -8.565 8.735 0.265
136 HD12 ILE 17 HD12 ILE 17 -7.513 8.436 1.644
137 HD13 ILE 17 HD13 ILE 17 -8.451 7.114 0.949
138 H PHE 18 H PHE 18 -5.193 4.267 -1.478
139 HA PHE 18 HA PHE 18 -7.483 4.322 -3.187
140 HB2 PHE 18 HB2 PHE 18 -4.703 3.322 -3.728
141 HB3 PHE 18 HB3 PHE 18 -5.988 3.484 -4.924
142 HD1 PHE 18 HD1 PHE 18 -7.182 5.905 -4.638
143 HD2 PHE 18 HD2 PHE 18 -3.131 4.967 -3.863
144 HE1 PHE 18 HE1 PHE 18 -6.568 8.262 -5.071
145 HE2 PHE 18 HE2 PHE 18 -2.484 7.310 -4.279
146 HZ PHE 18 HZ PHE 18 -4.208 8.959 -4.890
147 H GLY 19 H GLY 19 -5.292 1.696 -2.251
148 HA2 GLY 19 HA2 GLY 19 -6.661 -0.435 -3.382
149 HA3 GLY 19 HA3 GLY 19 -5.608 -0.539 -1.973
150 H LEU 20 H LEU 20 -6.888 0.752 -0.084
151 HA LEU 20 HA LEU 20 -8.759 -1.142 0.748
152 HB2 LEU 20 HB2 LEU 20 -7.302 0.624 2.038
153 HB3 LEU 20 HB3 LEU 20 -8.802 1.537 1.989
154 HG LEU 20 HG LEU 20 -9.863 -0.600 2.901
155 HD11 LEU 20 HD11 LEU 20 -8.372 -2.039 4.177
156 HD12 LEU 20 HD12 LEU 20 -7.006 -1.048 3.657
157 HD13 LEU 20 HD13 LEU 20 -7.888 -1.998 2.467
158 HD21 LEU 20 HD21 LEU 20 -9.660 1.455 4.177
159 HD22 LEU 20 HD22 LEU 20 -7.995 1.042 4.603
160 HD23 LEU 20 HD23 LEU 20 -9.333 0.055 5.198
161 H ALA 21 H ALA 21 -9.160 1.969 -0.882
162 HA ALA 21 HA ALA 21 -11.901 2.300 -0.433
163 HB1 ALA 21 HB1 ALA 21 -10.305 3.076 -2.877
164 HB2 ALA 21 HB2 ALA 21 -10.447 4.029 -1.410
165 HB3 ALA 21 HB3 ALA 21 -11.876 3.730 -2.409
166 H ALA 22 H ALA 22 -10.168 0.173 -2.549
167 HA ALA 22 HA ALA 22 -12.423 -0.502 -4.187
168 HB1 ALA 22 HB1 ALA 22 -9.838 -1.983 -3.763
169 HB2 ALA 22 HB2 ALA 22 -10.124 -0.754 -5.002
170 HB3 ALA 22 HB3 ALA 22 -11.013 -2.286 -5.044
171 H TRP 23 H TRP 23 -11.077 -1.626 -1.235
172 HA TRP 23 HA TRP 23 -12.783 -3.958 -1.298
173 HB2 TRP 23 HB2 TRP 23 -10.312 -3.393 -0.141
174 HB3 TRP 23 HB3 TRP 23 -11.418 -3.677 1.200
175 HD1 TRP 23 HD1 TRP 23 -11.222 -6.118 1.868
176 HE1 TRP 23 HE1 TRP 23 -11.057 -8.378 0.647
177 HE3 TRP 23 HE3 TRP 23 -11.160 -4.400 -2.921
178 HZ2 TRP 23 HZ2 TRP 23 -10.951 -9.297 -2.066
179 HZ3 TRP 23 HZ3 TRP 23 -11.067 -5.978 -4.758
180 HH2 TRP 23 HH2 TRP 23 -10.962 -8.394 -4.352
181 H ALA 24 H ALA 24 -12.391 -1.081 0.667
182 HA ALA 24 HA ALA 24 -14.593 -1.754 2.308
183 HB1 ALA 24 HB1 ALA 24 -14.249 0.460 3.305
184 HB2 ALA 24 HB2 ALA 24 -13.126 0.845 1.998
185 HB3 ALA 24 HB3 ALA 24 -12.737 -0.438 3.141
186 H LEU 25 H LEU 25 -14.072 0.758 -0.153
187 HA LEU 25 HA LEU 25 -16.809 1.607 -0.019
188 HB2 LEU 25 HB2 LEU 25 -14.591 2.485 -1.817
189 HB3 LEU 25 HB3 LEU 25 -16.178 3.244 -1.710
190 HG LEU 25 HG LEU 25 -14.044 3.113 0.407
191 HD11 LEU 25 HD11 LEU 25 -15.172 5.438 -1.141
192 HD12 LEU 25 HD12 LEU 25 -13.578 4.722 -1.352
193 HD13 LEU 25 HD13 LEU 25 -13.987 5.543 0.157
194 HD21 LEU 25 HD21 LEU 25 -16.227 2.949 1.451
195 HD22 LEU 25 HD22 LEU 25 -16.782 4.356 0.546
196 HD23 LEU 25 HD23 LEU 25 -15.507 4.528 1.759
197 H LEU 26 H LEU 26 -14.978 -0.418 -2.197
198 HA LEU 26 HA LEU 26 -17.060 -0.206 -4.226
199 HB2 LEU 26 HB2 LEU 26 -14.782 0.204 -4.934
200 HB3 LEU 26 HB3 LEU 26 -14.291 -1.328 -4.255
201 HG LEU 26 HG LEU 26 -15.637 -2.473 -5.944
202 HD11 LEU 26 HD11 LEU 26 -17.235 -0.728 -6.489
203 HD12 LEU 26 HD12 LEU 26 -16.361 -1.218 -7.948
204 HD13 LEU 26 HD13 LEU 26 -15.938 0.280 -7.130
205 HD21 LEU 26 HD21 LEU 26 -13.261 -2.238 -6.251
206 HD22 LEU 26 HD22 LEU 26 -13.465 -0.621 -6.922
207 HD23 LEU 26 HD23 LEU 26 -14.044 -2.020 -7.816
208 H ALA 27 H ALA 27 -15.985 -2.279 -1.849
209 HA ALA 27 HA ALA 27 -17.399 -4.519 -3.116
210 HB1 ALA 27 HB1 ALA 27 -14.979 -4.906 -2.807
211 HB2 ALA 27 HB2 ALA 27 -15.987 -6.061 -1.950
212 HB3 ALA 27 HB3 ALA 27 -15.207 -4.749 -1.063
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 -15.639 -8.371 0.226
2 H2 ARG 1 HT2 ARG 1 -16.314 -8.568 1.727
3 H3 ARG 1 HT3 ARG 1 -15.493 -9.861 1.017
4 HA ARG 1 HA ARG 1 -14.198 -8.788 2.761
5 HB2 ARG 1 HB2 ARG 1 -13.107 -8.186 -0.012
6 HB3 ARG 1 HB3 ARG 1 -12.155 -8.266 1.456
7 HG2 ARG 1 HG2 ARG 1 -12.883 -10.682 1.642
8 HG3 ARG 1 HG3 ARG 1 -13.545 -10.490 0.018
9 HD2 ARG 1 HD2 ARG 1 -11.359 -9.919 -0.848
10 HD3 ARG 1 HD3 ARG 1 -10.673 -9.993 0.774
11 HE ARG 1 HE ARG 1 -11.829 -12.286 -0.639
12 HH11 ARG 1 HH11 ARG 1 -9.213 -10.901 1.368
13 HH12 ARG 1 HH12 ARG 1 -8.497 -12.381 1.717
14 HH21 ARG 1 HH21 ARG 1 -10.750 -14.366 -0.176
15 HH22 ARG 1 HH22 ARG 1 -9.363 -14.356 0.823
16 H ASN 2 H ASN 2 -12.609 -6.742 2.794
17 HA ASN 2 HA ASN 2 -14.333 -4.435 2.735
18 HB2 ASN 2 HB2 ASN 2 -11.403 -4.737 3.484
19 HB3 ASN 2 HB3 ASN 2 -12.297 -3.237 3.598
20 HD21 ASN 2 HD21 ASN 2 -11.721 -6.345 4.978
21 HD22 ASN 2 HD22 ASN 2 -12.545 -6.044 6.470
22 H LYS 3 H LYS 3 -14.618 -3.495 0.770
23 HA LYS 3 HA LYS 3 -12.223 -2.877 -0.756
24 HB2 LYS 3 HB2 LYS 3 -13.304 -4.922 -1.701
25 HB3 LYS 3 HB3 LYS 3 -14.746 -3.944 -1.980
26 HG2 LYS 3 HG2 LYS 3 -13.162 -2.382 -3.272
27 HG3 LYS 3 HG3 LYS 3 -12.057 -3.757 -3.280
28 HD2 LYS 3 HD2 LYS 3 -13.330 -3.754 -5.316
29 HD3 LYS 3 HD3 LYS 3 -13.865 -5.112 -4.321
30 HE2 LYS 3 HE2 LYS 3 -15.792 -3.872 -3.562
31 HE3 LYS 3 HE3 LYS 3 -15.224 -2.421 -4.356
32 HZ1 LYS 3 HZ1 LYS 3 -16.979 -3.530 -5.555
33 HZ2 LYS 3 HZ2 LYS 3 -16.060 -4.916 -5.764
34 HZ3 LYS 3 HZ3 LYS 3 -15.593 -3.457 -6.474
35 H LEU 4 H LEU 4 -12.351 -0.883 -1.695
36 HA LEU 4 HA LEU 4 -14.636 0.656 -2.211
37 HB2 LEU 4 HB2 LEU 4 -14.722 0.501 0.290
38 HB3 LEU 4 HB3 LEU 4 -13.151 1.264 0.379
39 HG LEU 4 HG LEU 4 -14.178 3.278 -0.729
40 HD11 LEU 4 HD11 LEU 4 -16.762 1.811 -0.161
41 HD12 LEU 4 HD12 LEU 4 -16.115 2.197 -1.752
42 HD13 LEU 4 HD13 LEU 4 -16.614 3.490 -0.667
43 HD21 LEU 4 HD21 LEU 4 -13.791 3.146 1.671
44 HD22 LEU 4 HD22 LEU 4 -15.396 2.434 1.891
45 HD23 LEU 4 HD23 LEU 4 -15.232 4.089 1.292
46 H ALA 5 H ALA 5 -13.849 2.863 -2.735
47 HA ALA 5 HA ALA 5 -11.430 2.808 -4.117
48 HB1 ALA 5 HB1 ALA 5 -11.794 5.159 -4.553
49 HB2 ALA 5 HB2 ALA 5 -12.855 5.260 -3.153
50 HB3 ALA 5 HB3 ALA 5 -13.362 4.326 -4.559
51 H TYR 6 H TYR 6 -12.240 3.902 -0.960
52 HA TYR 6 HA TYR 6 -9.591 4.855 -0.431
53 HB2 TYR 6 HB2 TYR 6 -11.988 4.532 1.327
54 HB3 TYR 6 HB3 TYR 6 -10.413 4.987 1.988
55 HD1 TYR 6 HD1 TYR 6 -9.401 7.095 1.411
56 HD2 TYR 6 HD2 TYR 6 -13.258 6.073 -0.018
57 HE1 TYR 6 HE1 TYR 6 -9.764 9.419 0.801
58 HE2 TYR 6 HE2 TYR 6 -13.655 8.418 -0.646
59 HH TYR 6 HH TYR 6 -12.871 10.569 -0.138
60 H ASN 7 H ASN 7 -11.070 1.881 -0.373
61 HA ASN 7 HA ASN 7 -9.256 0.745 1.537
62 HB2 ASN 7 HB2 ASN 7 -11.459 -0.326 1.187
63 HB3 ASN 7 HB3 ASN 7 -11.003 -0.708 -0.466
64 HD21 ASN 7 HD21 ASN 7 -10.615 -1.525 2.847
65 HD22 ASN 7 HD22 ASN 7 -9.655 -2.932 2.627
66 H MET 8 H MET 8 -9.741 0.386 -1.931
67 HA MET 8 HA MET 8 -7.189 -0.862 -2.171
68 HB2 MET 8 HB2 MET 8 -9.226 -0.119 -4.248
69 HB3 MET 8 HB3 MET 8 -7.687 -0.857 -4.655
70 HG2 MET 8 HG2 MET 8 -9.602 -2.146 -2.733
71 HG3 MET 8 HG3 MET 8 -9.769 -2.340 -4.468
72 HE1 MET 8 HE1 MET 8 -7.565 -3.067 -1.281
73 HE2 MET 8 HE2 MET 8 -6.192 -2.475 -2.248
74 HE3 MET 8 HE3 MET 8 -6.355 -4.174 -1.892
75 H GLY 9 H GLY 9 -8.459 2.126 -3.667
76 HA2 GLY 9 HA2 GLY 9 -5.997 2.880 -4.763
77 HA3 GLY 9 HA3 GLY 9 -7.360 3.945 -4.470
78 H HIS 10 H HIS 10 -7.489 3.897 -1.738
79 HA HIS 10 HA HIS 10 -5.424 5.781 -1.043
80 HB2 HIS 10 HB2 HIS 10 -7.717 5.866 -0.141
81 HB3 HIS 10 HB3 HIS 10 -7.405 4.369 0.729
82 HD1 HIS 10 HD1 HIS 10 -5.316 7.548 0.498
83 HD2 HIS 10 HD2 HIS 10 -7.165 5.102 3.287
84 HE1 HIS 10 HE1 HIS 10 -4.626 8.412 2.656
85 H TYR 11 H TYR 11 -5.919 2.364 -0.142
86 HA TYR 11 HA TYR 11 -3.531 2.394 1.401
87 HB2 TYR 11 HB2 TYR 11 -5.366 0.228 0.555
88 HB3 TYR 11 HB3 TYR 11 -3.772 -0.186 1.173
89 HD1 TYR 11 HD1 TYR 11 -3.116 0.579 3.412
90 HD2 TYR 11 HD2 TYR 11 -7.122 0.887 2.044
91 HE1 TYR 11 HE1 TYR 11 -3.822 0.800 5.681
92 HE2 TYR 11 HE2 TYR 11 -7.895 1.119 4.366
93 HH TYR 11 HH TYR 11 -5.773 1.747 6.913
94 H ALA 12 H ALA 12 -4.238 1.522 -1.923
95 HA ALA 12 HA ALA 12 -1.795 0.320 -2.500
96 HB1 ALA 12 HB1 ALA 12 -3.477 2.046 -4.326
97 HB2 ALA 12 HB2 ALA 12 -3.692 0.314 -4.057
98 HB3 ALA 12 HB3 ALA 12 -2.226 0.907 -4.837
99 H GLY 13 H GLY 13 -2.765 3.705 -2.488
100 HA2 GLY 13 HA2 GLY 13 -0.315 4.782 -3.387
101 HA3 GLY 13 HA3 GLY 13 -1.506 5.629 -2.405
102 H LYS 14 H LYS 14 -1.512 4.141 -0.120
103 HA LYS 14 HA LYS 14 0.813 5.182 1.151
104 HB2 LYS 14 HB2 LYS 14 -1.643 3.828 2.074
105 HB3 LYS 14 HB3 LYS 14 -0.239 3.684 3.126
106 HG2 LYS 14 HG2 LYS 14 -1.684 5.568 3.731
107 HG3 LYS 14 HG3 LYS 14 -0.056 6.069 3.299
108 HD2 LYS 14 HD2 LYS 14 -0.939 6.577 0.986
109 HD3 LYS 14 HD3 LYS 14 -2.557 6.294 1.630
110 HE2 LYS 14 HE2 LYS 14 -2.280 8.060 3.239
111 HE3 LYS 14 HE3 LYS 14 -0.616 8.309 2.729
112 HZ1 LYS 14 HZ1 LYS 14 -1.420 8.994 0.557
113 HZ2 LYS 14 HZ2 LYS 14 -2.073 9.938 1.767
114 HZ3 LYS 14 HZ3 LYS 14 -3.019 8.762 1.038
115 H ALA 15 H ALA 15 -0.137 1.943 0.248
116 HA ALA 15 HA ALA 15 2.089 0.792 1.555
117 HB1 ALA 15 HB1 ALA 15 1.506 -1.244 0.401
118 HB2 ALA 15 HB2 ALA 15 0.351 -0.367 -0.615
119 HB3 ALA 15 HB3 ALA 15 0.073 -0.508 1.129
120 H THR 16 H THR 16 1.536 2.062 -1.634
121 HA THR 16 HA THR 16 3.989 1.017 -2.598
122 HB THR 16 HB THR 16 2.337 3.247 -3.835
123 HG1 THR 16 HG1 THR 16 1.119 1.414 -3.767
124 HG21 THR 16 HG21 THR 16 4.408 1.386 -4.979
125 HG22 THR 16 HG22 THR 16 4.662 3.108 -4.669
126 HG23 THR 16 HG23 THR 16 3.510 2.588 -5.907
127 H ILE 17 H ILE 17 3.020 4.126 -1.192
128 HA ILE 17 HA ILE 17 5.644 5.128 -1.685
129 HB ILE 17 HB ILE 17 3.735 6.711 -1.600
130 HG12 ILE 17 HG12 ILE 17 4.787 8.466 -0.183
131 HG13 ILE 17 HG13 ILE 17 5.913 7.251 0.428
132 HG21 ILE 17 HG21 ILE 17 2.775 7.457 0.536
133 HG22 ILE 17 HG22 ILE 17 3.607 6.133 1.340
134 HG23 ILE 17 HG23 ILE 17 2.386 5.793 0.111
135 HD11 ILE 17 HD11 ILE 17 6.918 8.570 -1.339
136 HD12 ILE 17 HD12 ILE 17 5.599 8.154 -2.421
137 HD13 ILE 17 HD13 ILE 17 6.709 6.898 -1.860
138 H PHE 18 H PHE 18 4.020 4.108 1.316
139 HA PHE 18 HA PHE 18 6.499 4.291 2.734
140 HB2 PHE 18 HB2 PHE 18 3.811 3.286 3.620
141 HB3 PHE 18 HB3 PHE 18 5.232 3.418 4.655
142 HD1 PHE 18 HD1 PHE 18 6.428 5.769 4.318
143 HD2 PHE 18 HD2 PHE 18 2.311 4.976 3.825
144 HE1 PHE 18 HE1 PHE 18 5.929 8.146 4.833
145 HE2 PHE 18 HE2 PHE 18 1.771 7.340 4.321
146 HZ PHE 18 HZ PHE 18 3.596 8.924 4.832
147 H GLY 19 H GLY 19 4.334 1.586 2.083
148 HA2 GLY 19 HA2 GLY 19 5.920 -0.427 3.206
149 HA3 GLY 19 HA3 GLY 19 4.696 -0.664 1.964
150 H LEU 20 H LEU 20 5.574 0.406 -0.185
151 HA LEU 20 HA LEU 20 7.520 -1.364 -1.106
152 HB2 LEU 20 HB2 LEU 20 5.758 0.242 -2.324
153 HB3 LEU 20 HB3 LEU 20 7.235 1.148 -2.611
154 HG LEU 20 HG LEU 20 8.174 -1.093 -3.424
155 HD11 LEU 20 HD11 LEU 20 6.531 -2.617 -4.358
156 HD12 LEU 20 HD12 LEU 20 5.249 -1.563 -3.769
157 HD13 LEU 20 HD13 LEU 20 6.277 -2.420 -2.609
158 HD21 LEU 20 HD21 LEU 20 7.817 0.827 -4.848
159 HD22 LEU 20 HD22 LEU 20 6.106 0.398 -5.018
160 HD23 LEU 20 HD23 LEU 20 7.363 -0.658 -5.682
161 H ALA 21 H ALA 21 7.918 1.885 0.292
162 HA ALA 21 HA ALA 21 10.497 2.416 -0.647
163 HB1 ALA 21 HB1 ALA 21 9.105 4.097 0.446
164 HB2 ALA 21 HB2 ALA 21 10.665 3.949 1.254
165 HB3 ALA 21 HB3 ALA 21 9.223 3.226 1.969
166 H ALA 22 H ALA 22 9.342 0.324 1.886
167 HA ALA 22 HA ALA 22 11.865 -0.048 3.137
168 HB1 ALA 22 HB1 ALA 22 9.753 -0.520 4.300
169 HB2 ALA 22 HB2 ALA 22 10.820 -1.921 4.272
170 HB3 ALA 22 HB3 ALA 22 9.438 -1.839 3.172
171 H TRP 23 H TRP 23 10.281 -1.483 0.417
172 HA TRP 23 HA TRP 23 12.310 -3.567 0.336
173 HB2 TRP 23 HB2 TRP 23 9.662 -3.626 -0.403
174 HB3 TRP 23 HB3 TRP 23 10.523 -3.374 -1.918
175 HD1 TRP 23 HD1 TRP 23 10.749 -5.621 -3.078
176 HE1 TRP 23 HE1 TRP 23 11.575 -7.940 -2.413
177 HE3 TRP 23 HE3 TRP 23 11.473 -4.769 1.898
178 HZ2 TRP 23 HZ2 TRP 23 12.467 -9.249 -0.042
179 HZ3 TRP 23 HZ3 TRP 23 12.335 -6.555 3.299
180 HH2 TRP 23 HH2 TRP 23 12.825 -8.796 2.338
181 H ALA 24 H ALA 24 11.303 -0.795 -1.519
182 HA ALA 24 HA ALA 24 13.316 -1.156 -3.513
183 HB1 ALA 24 HB1 ALA 24 12.567 1.019 -4.346
184 HB2 ALA 24 HB2 ALA 24 11.600 1.240 -2.887
185 HB3 ALA 24 HB3 ALA 24 11.204 -0.046 -4.019
186 H LEU 25 H LEU 25 12.864 1.301 -0.999
187 HA LEU 25 HA LEU 25 15.460 2.411 -1.502
188 HB2 LEU 25 HB2 LEU 25 13.305 3.152 0.438
189 HB3 LEU 25 HB3 LEU 25 14.804 4.040 0.218
190 HG LEU 25 HG LEU 25 12.636 3.630 -1.857
191 HD11 LEU 25 HD11 LEU 25 13.412 6.079 -0.287
192 HD12 LEU 25 HD12 LEU 25 11.922 5.161 -0.099
193 HD13 LEU 25 HD13 LEU 25 12.238 6.041 -1.594
194 HD21 LEU 25 HD21 LEU 25 15.179 5.253 -1.989
195 HD22 LEU 25 HD22 LEU 25 13.890 5.271 -3.186
196 HD23 LEU 25 HD23 LEU 25 14.815 3.797 -2.916
197 H LEU 26 H LEU 26 14.124 0.276 0.894
198 HA LEU 26 HA LEU 26 16.321 0.810 2.729
199 HB2 LEU 26 HB2 LEU 26 14.142 0.698 3.721
200 HB3 LEU 26 HB3 LEU 26 13.844 -0.860 2.982
201 HG LEU 26 HG LEU 26 15.760 -1.710 4.359
202 HD11 LEU 26 HD11 LEU 26 16.199 -0.501 6.464
203 HD12 LEU 26 HD12 LEU 26 15.326 0.886 5.798
204 HD13 LEU 26 HD13 LEU 26 16.801 0.313 5.022
205 HD21 LEU 26 HD21 LEU 26 13.209 -0.832 5.706
206 HD22 LEU 26 HD22 LEU 26 14.334 -2.019 6.362
207 HD23 LEU 26 HD23 LEU 26 13.495 -2.351 4.850
208 H ALA 27 H ALA 27 15.347 -1.473 0.502
209 HA ALA 27 HA ALA 27 17.140 -3.500 1.644
210 HB1 ALA 27 HB1 ALA 27 14.972 -3.884 -0.434
211 HB2 ALA 27 HB2 ALA 27 14.801 -4.184 1.281
212 HB3 ALA 27 HB3 ALA 27 15.919 -5.156 0.333
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 -10.122 -9.411 2.534
2 H2 ARG 1 HT2 ARG 1 -11.246 -8.393 3.224
3 H3 ARG 1 HT3 ARG 1 -10.280 -7.868 1.918
4 HA ARG 1 HA ARG 1 -11.244 -9.310 0.432
5 HB2 ARG 1 HB2 ARG 1 -12.937 -10.288 2.727
6 HB3 ARG 1 HB3 ARG 1 -13.178 -10.716 1.040
7 HG2 ARG 1 HG2 ARG 1 -10.861 -11.643 1.023
8 HG3 ARG 1 HG3 ARG 1 -10.812 -11.371 2.767
9 HD2 ARG 1 HD2 ARG 1 -11.400 -13.653 2.270
10 HD3 ARG 1 HD3 ARG 1 -12.753 -12.817 3.042
11 HE ARG 1 HE ARG 1 -13.411 -12.482 0.531
12 HH11 ARG 1 HH11 ARG 1 -12.235 -15.479 2.057
13 HH12 ARG 1 HH12 ARG 1 -12.977 -16.454 0.880
14 HH21 ARG 1 HH21 ARG 1 -14.388 -13.863 -1.005
15 HH22 ARG 1 HH22 ARG 1 -14.220 -15.549 -0.862
16 H ASN 2 H ASN 2 -12.026 -6.809 2.370
17 HA ASN 2 HA ASN 2 -14.512 -6.246 0.989
18 HB2 ASN 2 HB2 ASN 2 -14.743 -4.343 2.575
19 HB3 ASN 2 HB3 ASN 2 -14.561 -5.861 3.433
20 HD21 ASN 2 HD21 ASN 2 -14.097 -3.120 4.303
21 HD22 ASN 2 HD22 ASN 2 -12.458 -3.035 4.809
22 H LYS 3 H LYS 3 -14.711 -4.076 -0.073
23 HA LYS 3 HA LYS 3 -12.094 -3.120 -1.031
24 HB2 LYS 3 HB2 LYS 3 -13.098 -4.832 -2.532
25 HB3 LYS 3 HB3 LYS 3 -14.468 -3.751 -2.739
26 HG2 LYS 3 HG2 LYS 3 -12.647 -2.030 -3.487
27 HG3 LYS 3 HG3 LYS 3 -11.645 -3.468 -3.697
28 HD2 LYS 3 HD2 LYS 3 -12.664 -2.965 -5.802
29 HD3 LYS 3 HD3 LYS 3 -13.447 -4.410 -5.151
30 HE2 LYS 3 HE2 LYS 3 -15.272 -2.992 -4.270
31 HE3 LYS 3 HE3 LYS 3 -14.488 -1.590 -4.963
32 HZ1 LYS 3 HZ1 LYS 3 -15.545 -3.907 -6.474
33 HZ2 LYS 3 HZ2 LYS 3 -14.806 -2.562 -7.163
34 HZ3 LYS 3 HZ3 LYS 3 -16.276 -2.400 -6.353
35 H LEU 4 H LEU 4 -12.046 -0.967 -1.590
36 HA LEU 4 HA LEU 4 -14.190 0.719 -2.170
37 HB2 LEU 4 HB2 LEU 4 -14.561 0.409 0.308
38 HB3 LEU 4 HB3 LEU 4 -12.980 1.103 0.599
39 HG LEU 4 HG LEU 4 -13.777 3.237 -0.443
40 HD11 LEU 4 HD11 LEU 4 -16.448 1.852 -0.450
41 HD12 LEU 4 HD12 LEU 4 -15.531 2.359 -1.873
42 HD13 LEU 4 HD13 LEU 4 -16.187 3.566 -0.769
43 HD21 LEU 4 HD21 LEU 4 -13.832 2.962 1.972
44 HD22 LEU 4 HD22 LEU 4 -15.423 2.215 1.852
45 HD23 LEU 4 HD23 LEU 4 -15.213 3.916 1.425
46 H ALA 5 H ALA 5 -13.296 3.044 -2.245
47 HA ALA 5 HA ALA 5 -11.015 2.888 -3.838
48 HB1 ALA 5 HB1 ALA 5 -12.810 4.577 -4.019
49 HB2 ALA 5 HB2 ALA 5 -11.180 5.247 -4.084
50 HB3 ALA 5 HB3 ALA 5 -12.132 5.383 -2.604
51 H TYR 6 H TYR 6 -11.378 3.932 -0.559
52 HA TYR 6 HA TYR 6 -8.582 4.584 -0.364
53 HB2 TYR 6 HB2 TYR 6 -10.688 4.377 1.764
54 HB3 TYR 6 HB3 TYR 6 -9.017 4.765 2.121
55 HD1 TYR 6 HD1 TYR 6 -8.052 6.876 1.356
56 HD2 TYR 6 HD2 TYR 6 -12.171 5.994 0.823
57 HE1 TYR 6 HE1 TYR 6 -8.492 9.240 0.993
58 HE2 TYR 6 HE2 TYR 6 -12.641 8.372 0.446
59 HH TYR 6 HH TYR 6 -11.583 10.526 1.109
60 H ASN 7 H ASN 7 -10.475 1.797 0.057
61 HA ASN 7 HA ASN 7 -8.628 0.441 1.780
62 HB2 ASN 7 HB2 ASN 7 -11.068 -0.112 1.615
63 HB3 ASN 7 HB3 ASN 7 -10.772 -0.731 0.000
64 HD21 ASN 7 HD21 ASN 7 -11.792 -2.006 2.378
65 HD22 ASN 7 HD22 ASN 7 -10.804 -3.380 2.651
66 H MET 8 H MET 8 -9.568 -0.019 -1.578
67 HA MET 8 HA MET 8 -7.277 -1.670 -2.023
68 HB2 MET 8 HB2 MET 8 -9.453 -2.132 -3.089
69 HB3 MET 8 HB3 MET 8 -9.295 -0.653 -4.011
70 HG2 MET 8 HG2 MET 8 -8.677 -2.286 -5.526
71 HG3 MET 8 HG3 MET 8 -7.133 -1.694 -4.933
72 HE1 MET 8 HE1 MET 8 -5.803 -4.726 -2.793
73 HE2 MET 8 HE2 MET 8 -6.756 -3.483 -2.034
74 HE3 MET 8 HE3 MET 8 -5.551 -3.041 -3.269
75 H GLY 9 H GLY 9 -8.288 1.522 -3.177
76 HA2 GLY 9 HA2 GLY 9 -6.021 1.823 -4.879
77 HA3 GLY 9 HA3 GLY 9 -7.213 3.044 -4.492
78 H HIS 10 H HIS 10 -6.896 3.249 -1.780
79 HA HIS 10 HA HIS 10 -4.553 4.926 -1.632
80 HB2 HIS 10 HB2 HIS 10 -6.698 5.325 -0.417
81 HB3 HIS 10 HB3 HIS 10 -6.296 3.989 0.661
82 HD1 HIS 10 HD1 HIS 10 -4.436 7.043 -0.612
83 HD2 HIS 10 HD2 HIS 10 -5.321 5.055 2.913
84 HE1 HIS 10 HE1 HIS 10 -3.364 8.359 1.156
85 H TYR 11 H TYR 11 -5.276 1.682 -0.474
86 HA TYR 11 HA TYR 11 -2.730 1.455 0.719
87 HB2 TYR 11 HB2 TYR 11 -4.915 -0.453 0.175
88 HB3 TYR 11 HB3 TYR 11 -3.309 -1.101 0.506
89 HD1 TYR 11 HD1 TYR 11 -6.229 0.528 1.933
90 HD2 TYR 11 HD2 TYR 11 -2.205 -0.598 2.593
91 HE1 TYR 11 HE1 TYR 11 -6.529 0.878 4.359
92 HE2 TYR 11 HE2 TYR 11 -2.449 -0.276 4.956
93 HH TYR 11 HH TYR 11 -5.547 0.208 6.429
94 H ALA 12 H ALA 12 -3.923 0.867 -2.477
95 HA ALA 12 HA ALA 12 -1.718 -0.581 -3.438
96 HB1 ALA 12 HB1 ALA 12 -3.779 -0.311 -4.759
97 HB2 ALA 12 HB2 ALA 12 -2.364 0.210 -5.679
98 HB3 ALA 12 HB3 ALA 12 -3.430 1.409 -4.948
99 H GLY 13 H GLY 13 -2.353 2.873 -3.283
100 HA2 GLY 13 HA2 GLY 13 0.127 3.734 -4.345
101 HA3 GLY 13 HA3 GLY 13 -0.919 4.692 -3.298
102 H LYS 14 H LYS 14 -0.959 3.201 -1.051
103 HA LYS 14 HA LYS 14 1.278 3.989 0.409
104 HB2 LYS 14 HB2 LYS 14 -1.166 2.617 0.834
105 HB3 LYS 14 HB3 LYS 14 0.098 1.706 1.628
106 HG2 LYS 14 HG2 LYS 14 -1.027 3.323 3.109
107 HG3 LYS 14 HG3 LYS 14 0.702 3.621 2.958
108 HD2 LYS 14 HD2 LYS 14 0.350 5.481 1.520
109 HD3 LYS 14 HD3 LYS 14 -1.352 5.056 1.291
110 HE2 LYS 14 HE2 LYS 14 -1.888 5.641 3.472
111 HE3 LYS 14 HE3 LYS 14 -0.189 5.766 3.971
112 HZ1 LYS 14 HZ1 LYS 14 0.010 7.696 2.577
113 HZ2 LYS 14 HZ2 LYS 14 -1.284 7.932 3.618
114 HZ3 LYS 14 HZ3 LYS 14 -1.559 7.514 2.009
115 H ALA 15 H ALA 15 0.420 0.791 -0.771
116 HA ALA 15 HA ALA 15 2.786 -0.431 0.197
117 HB1 ALA 15 HB1 ALA 15 0.844 -1.484 -1.850
118 HB2 ALA 15 HB2 ALA 15 0.688 -1.666 -0.098
119 HB3 ALA 15 HB3 ALA 15 2.044 -2.419 -0.951
120 H THR 16 H THR 16 1.983 1.146 -2.788
121 HA THR 16 HA THR 16 4.230 0.057 -4.154
122 HB THR 16 HB THR 16 2.577 2.496 -4.853
123 HG1 THR 16 HG1 THR 16 1.278 0.712 -4.940
124 HG21 THR 16 HG21 THR 16 4.426 0.811 -6.550
125 HG22 THR 16 HG22 THR 16 4.783 2.432 -5.962
126 HG23 THR 16 HG23 THR 16 3.474 2.185 -7.114
127 H ILE 17 H ILE 17 3.621 3.053 -2.350
128 HA ILE 17 HA ILE 17 6.275 3.866 -2.980
129 HB ILE 17 HB ILE 17 4.677 5.650 -2.689
130 HG12 ILE 17 HG12 ILE 17 5.880 7.101 -1.076
131 HG13 ILE 17 HG13 ILE 17 6.745 5.689 -0.483
132 HG21 ILE 17 HG21 ILE 17 4.369 4.761 0.167
133 HG22 ILE 17 HG22 ILE 17 3.145 4.705 -1.109
134 HG23 ILE 17 HG23 ILE 17 3.729 6.261 -0.505
135 HD11 ILE 17 HD11 ILE 17 8.084 7.015 -2.041
136 HD12 ILE 17 HD12 ILE 17 6.864 6.762 -3.297
137 HD13 ILE 17 HD13 ILE 17 7.779 5.397 -2.667
138 H PHE 18 H PHE 18 4.764 2.721 0.034
139 HA PHE 18 HA PHE 18 7.338 2.652 1.291
140 HB2 PHE 18 HB2 PHE 18 4.693 1.686 2.339
141 HB3 PHE 18 HB3 PHE 18 6.186 1.801 3.268
142 HD1 PHE 18 HD1 PHE 18 7.345 4.235 2.829
143 HD2 PHE 18 HD2 PHE 18 3.199 3.347 2.796
144 HE1 PHE 18 HE1 PHE 18 6.854 6.575 3.382
145 HE2 PHE 18 HE2 PHE 18 2.687 5.689 3.337
146 HZ PHE 18 HZ PHE 18 4.522 7.309 3.630
147 H GLY 19 H GLY 19 4.960 0.079 0.697
148 HA2 GLY 19 HA2 GLY 19 6.567 -2.051 1.422
149 HA3 GLY 19 HA3 GLY 19 5.207 -2.154 0.310
150 H LEU 20 H LEU 20 6.052 -0.787 -1.827
151 HA LEU 20 HA LEU 20 7.925 -2.524 -2.957
152 HB2 LEU 20 HB2 LEU 20 6.426 -0.257 -3.913
153 HB3 LEU 20 HB3 LEU 20 8.019 -0.375 -4.643
154 HG LEU 20 HG LEU 20 7.467 -2.754 -5.087
155 HD11 LEU 20 HD11 LEU 20 5.101 -3.379 -5.272
156 HD12 LEU 20 HD12 LEU 20 4.645 -1.815 -4.618
157 HD13 LEU 20 HD13 LEU 20 5.528 -2.965 -3.606
158 HD21 LEU 20 HD21 LEU 20 5.951 -0.584 -6.505
159 HD22 LEU 20 HD22 LEU 20 6.249 -2.199 -7.165
160 HD23 LEU 20 HD23 LEU 20 7.600 -1.122 -6.811
161 H ALA 21 H ALA 21 8.416 0.570 -1.452
162 HA ALA 21 HA ALA 21 11.094 0.844 -2.307
163 HB1 ALA 21 HB1 ALA 21 9.876 2.707 -1.254
164 HB2 ALA 21 HB2 ALA 21 11.417 2.381 -0.460
165 HB3 ALA 21 HB3 ALA 21 9.907 1.838 0.280
166 H ALA 22 H ALA 22 9.621 -1.121 0.106
167 HA ALA 22 HA ALA 22 12.055 -1.721 1.461
168 HB1 ALA 22 HB1 ALA 22 9.881 -2.050 2.550
169 HB2 ALA 22 HB2 ALA 22 10.844 -3.528 2.523
170 HB3 ALA 22 HB3 ALA 22 9.507 -3.327 1.392
171 H TRP 23 H TRP 23 10.373 -2.981 -1.281
172 HA TRP 23 HA TRP 23 12.239 -5.178 -1.423
173 HB2 TRP 23 HB2 TRP 23 9.576 -4.940 -2.158
174 HB3 TRP 23 HB3 TRP 23 10.457 -5.064 -3.678
175 HD1 TRP 23 HD1 TRP 23 10.498 -7.526 -4.404
176 HE1 TRP 23 HE1 TRP 23 10.926 -9.787 -3.230
177 HE3 TRP 23 HE3 TRP 23 10.973 -5.873 0.410
178 HZ2 TRP 23 HZ2 TRP 23 11.412 -10.731 -0.612
179 HZ3 TRP 23 HZ3 TRP 23 11.437 -7.487 2.179
180 HH2 TRP 23 HH2 TRP 23 11.654 -9.880 1.688
181 H ALA 24 H ALA 24 11.435 -2.354 -3.345
182 HA ALA 24 HA ALA 24 13.434 -2.944 -5.272
183 HB1 ALA 24 HB1 ALA 24 11.446 -1.669 -5.853
184 HB2 ALA 24 HB2 ALA 24 12.922 -0.770 -6.219
185 HB3 ALA 24 HB3 ALA 24 11.970 -0.356 -4.797
186 H LEU 25 H LEU 25 13.160 -0.485 -2.769
187 HA LEU 25 HA LEU 25 15.786 0.572 -3.242
188 HB2 LEU 25 HB2 LEU 25 13.703 1.855 -2.617
189 HB3 LEU 25 HB3 LEU 25 13.853 1.150 -1.059
190 HG LEU 25 HG LEU 25 15.962 2.270 -0.618
191 HD11 LEU 25 HD11 LEU 25 15.547 3.560 -3.314
192 HD12 LEU 25 HD12 LEU 25 16.840 2.436 -2.887
193 HD13 LEU 25 HD13 LEU 25 16.763 4.029 -2.131
194 HD21 LEU 25 HD21 LEU 25 13.905 3.344 0.046
195 HD22 LEU 25 HD22 LEU 25 13.745 4.086 -1.542
196 HD23 LEU 25 HD23 LEU 25 15.064 4.565 -0.480
197 H LEU 26 H LEU 26 14.251 -1.321 -0.658
198 HA LEU 26 HA LEU 26 16.553 -1.087 1.063
199 HB2 LEU 26 HB2 LEU 26 14.296 -0.819 1.946
200 HB3 LEU 26 HB3 LEU 26 13.908 -2.436 1.382
201 HG LEU 26 HG LEU 26 15.617 -3.293 2.949
202 HD11 LEU 26 HD11 LEU 26 15.477 -0.498 4.057
203 HD12 LEU 26 HD12 LEU 26 16.877 -1.276 3.325
204 HD13 LEU 26 HD13 LEU 26 16.234 -1.881 4.853
205 HD21 LEU 26 HD21 LEU 26 14.136 -3.133 4.912
206 HD22 LEU 26 HD22 LEU 26 13.267 -3.495 3.422
207 HD23 LEU 26 HD23 LEU 26 13.213 -1.867 4.095
208 H ALA 27 H ALA 27 15.458 -3.241 -1.209
209 HA ALA 27 HA ALA 27 16.744 -5.517 0.099
210 HB1 ALA 27 HB1 ALA 27 14.515 -5.911 -0.855
211 HB2 ALA 27 HB2 ALA 27 15.724 -6.981 -1.549
212 HB3 ALA 27 HB3 ALA 27 15.154 -5.575 -2.462
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 -11.397 -10.056 0.143
2 H2 ARG 1 HT2 ARG 1 -12.008 -11.433 0.878
3 H3 ARG 1 HT3 ARG 1 -10.824 -10.501 1.655
4 HA ARG 1 HA ARG 1 -13.555 -9.596 0.990
5 HB2 ARG 1 HB2 ARG 1 -12.259 -10.196 3.667
6 HB3 ARG 1 HB3 ARG 1 -13.800 -9.394 3.458
7 HG2 ARG 1 HG2 ARG 1 -14.751 -11.418 2.529
8 HG3 ARG 1 HG3 ARG 1 -13.178 -12.229 2.630
9 HD2 ARG 1 HD2 ARG 1 -13.176 -11.854 5.040
10 HD3 ARG 1 HD3 ARG 1 -14.775 -11.118 4.924
11 HE ARG 1 HE ARG 1 -15.306 -13.437 3.899
12 HH11 ARG 1 HH11 ARG 1 -13.078 -12.817 6.606
13 HH12 ARG 1 HH12 ARG 1 -13.513 -14.245 7.442
14 HH21 ARG 1 HH21 ARG 1 -15.878 -15.395 5.130
15 HH22 ARG 1 HH22 ARG 1 -15.143 -15.675 6.640
16 H ASN 2 H ASN 2 -13.974 -7.537 2.193
17 HA ASN 2 HA ASN 2 -13.582 -5.433 2.779
18 HB2 ASN 2 HB2 ASN 2 -10.711 -6.284 3.178
19 HB3 ASN 2 HB3 ASN 2 -11.333 -4.683 3.567
20 HD21 ASN 2 HD21 ASN 2 -12.771 -4.462 5.269
21 HD22 ASN 2 HD22 ASN 2 -12.951 -5.693 6.474
22 H LYS 3 H LYS 3 -13.015 -6.553 -0.032
23 HA LYS 3 HA LYS 3 -11.279 -4.770 -1.340
24 HB2 LYS 3 HB2 LYS 3 -12.348 -6.807 -2.390
25 HB3 LYS 3 HB3 LYS 3 -13.847 -5.901 -2.463
26 HG2 LYS 3 HG2 LYS 3 -12.354 -4.137 -3.699
27 HG3 LYS 3 HG3 LYS 3 -11.344 -5.544 -4.025
28 HD2 LYS 3 HD2 LYS 3 -12.858 -5.248 -5.867
29 HD3 LYS 3 HD3 LYS 3 -13.378 -6.669 -4.950
30 HE2 LYS 3 HE2 LYS 3 -15.129 -5.366 -3.860
31 HE3 LYS 3 HE3 LYS 3 -14.508 -3.896 -4.590
32 HZ1 LYS 3 HZ1 LYS 3 -15.709 -6.166 -6.089
33 HZ2 LYS 3 HZ2 LYS 3 -15.117 -4.759 -6.743
34 HZ3 LYS 3 HZ3 LYS 3 -16.452 -4.700 -5.735
35 H LEU 4 H LEU 4 -11.580 -2.708 -2.043
36 HA LEU 4 HA LEU 4 -14.041 -1.299 -2.046
37 HB2 LEU 4 HB2 LEU 4 -13.682 -1.634 0.383
38 HB3 LEU 4 HB3 LEU 4 -12.112 -0.872 0.240
39 HG LEU 4 HG LEU 4 -13.269 1.254 -0.419
40 HD11 LEU 4 HD11 LEU 4 -15.666 1.466 0.014
41 HD12 LEU 4 HD12 LEU 4 -15.756 -0.277 0.293
42 HD13 LEU 4 HD13 LEU 4 -15.312 0.343 -1.295
43 HD21 LEU 4 HD21 LEU 4 -12.545 0.851 1.869
44 HD22 LEU 4 HD22 LEU 4 -14.085 0.070 2.226
45 HD23 LEU 4 HD23 LEU 4 -14.037 1.790 1.826
46 H ALA 5 H ALA 5 -13.628 0.817 -2.778
47 HA ALA 5 HA ALA 5 -11.468 1.286 -4.410
48 HB1 ALA 5 HB1 ALA 5 -12.131 3.622 -4.427
49 HB2 ALA 5 HB2 ALA 5 -13.061 3.376 -2.945
50 HB3 ALA 5 HB3 ALA 5 -13.554 2.576 -4.438
51 H TYR 6 H TYR 6 -11.807 2.069 -1.057
52 HA TYR 6 HA TYR 6 -9.226 3.303 -0.882
53 HB2 TYR 6 HB2 TYR 6 -11.218 2.552 1.249
54 HB3 TYR 6 HB3 TYR 6 -9.608 3.140 1.645
55 HD1 TYR 6 HD1 TYR 6 -12.871 4.053 0.201
56 HD2 TYR 6 HD2 TYR 6 -8.972 5.415 1.248
57 HE1 TYR 6 HE1 TYR 6 -13.601 6.392 -0.079
58 HE2 TYR 6 HE2 TYR 6 -9.687 7.730 0.966
59 HH TYR 6 HH TYR 6 -12.965 8.622 0.582
60 H ASN 7 H ASN 7 -10.341 0.108 -0.688
61 HA ASN 7 HA ASN 7 -8.073 -0.896 0.760
62 HB2 ASN 7 HB2 ASN 7 -10.194 -2.156 0.770
63 HB3 ASN 7 HB3 ASN 7 -10.079 -2.361 -0.970
64 HD21 ASN 7 HD21 ASN 7 -8.895 -3.417 2.102
65 HD22 ASN 7 HD22 ASN 7 -7.999 -4.768 1.531
66 H MET 8 H MET 8 -9.151 -1.113 -2.575
67 HA MET 8 HA MET 8 -6.582 -2.067 -3.320
68 HB2 MET 8 HB2 MET 8 -9.011 -1.444 -4.953
69 HB3 MET 8 HB3 MET 8 -7.503 -1.942 -5.697
70 HG2 MET 8 HG2 MET 8 -8.855 -3.603 -3.591
71 HG3 MET 8 HG3 MET 8 -9.324 -3.714 -5.279
72 HE1 MET 8 HE1 MET 8 -6.545 -4.333 -2.585
73 HE2 MET 8 HE2 MET 8 -5.451 -3.491 -3.717
74 HE3 MET 8 HE3 MET 8 -5.319 -5.210 -3.482
75 H GLY 9 H GLY 9 -8.368 0.844 -4.223
76 HA2 GLY 9 HA2 GLY 9 -6.216 1.894 -5.730
77 HA3 GLY 9 HA3 GLY 9 -7.678 2.752 -5.271
78 H HIS 10 H HIS 10 -7.439 2.683 -2.512
79 HA HIS 10 HA HIS 10 -5.546 4.824 -2.236
80 HB2 HIS 10 HB2 HIS 10 -7.734 4.788 -1.035
81 HB3 HIS 10 HB3 HIS 10 -7.091 3.504 -0.003
82 HD1 HIS 10 HD1 HIS 10 -5.945 6.966 -1.078
83 HD2 HIS 10 HD2 HIS 10 -6.139 4.504 2.254
84 HE1 HIS 10 HE1 HIS 10 -4.895 8.245 0.728
85 H TYR 11 H TYR 11 -5.563 1.458 -1.053
86 HA TYR 11 HA TYR 11 -3.125 1.678 0.347
87 HB2 TYR 11 HB2 TYR 11 -4.545 -0.633 -0.863
88 HB3 TYR 11 HB3 TYR 11 -2.902 -0.822 -0.292
89 HD1 TYR 11 HD1 TYR 11 -2.436 -1.187 1.950
90 HD2 TYR 11 HD2 TYR 11 -6.292 0.130 0.808
91 HE1 TYR 11 HE1 TYR 11 -3.216 -1.638 4.201
92 HE2 TYR 11 HE2 TYR 11 -7.135 -0.313 3.090
93 HH TYR 11 HH TYR 11 -5.020 -1.050 5.713
94 H ALA 12 H ALA 12 -3.833 1.184 -3.038
95 HA ALA 12 HA ALA 12 -1.343 0.352 -3.908
96 HB1 ALA 12 HB1 ALA 12 -1.943 1.233 -6.093
97 HB2 ALA 12 HB2 ALA 12 -3.198 2.228 -5.364
98 HB3 ALA 12 HB3 ALA 12 -3.347 0.468 -5.347
99 H GLY 13 H GLY 13 -2.485 3.571 -3.146
100 HA2 GLY 13 HA2 GLY 13 -0.124 4.930 -4.010
101 HA3 GLY 13 HA3 GLY 13 -1.346 5.579 -2.920
102 H LYS 14 H LYS 14 -1.255 3.808 -0.860
103 HA LYS 14 HA LYS 14 1.042 4.778 0.500
104 HB2 LYS 14 HB2 LYS 14 -1.294 3.130 1.344
105 HB3 LYS 14 HB3 LYS 14 0.152 3.088 2.351
106 HG2 LYS 14 HG2 LYS 14 -1.424 4.735 3.171
107 HG3 LYS 14 HG3 LYS 14 0.053 5.507 2.614
108 HD2 LYS 14 HD2 LYS 14 -1.114 5.991 0.440
109 HD3 LYS 14 HD3 LYS 14 -2.597 5.393 1.185
110 HE2 LYS 14 HE2 LYS 14 -0.951 7.683 2.254
111 HE3 LYS 14 HE3 LYS 14 -2.397 7.855 1.264
112 HZ1 LYS 14 HZ1 LYS 14 -2.868 8.108 3.629
113 HZ2 LYS 14 HZ2 LYS 14 -2.321 6.568 3.961
114 HZ3 LYS 14 HZ3 LYS 14 -3.678 6.778 3.003
115 H ALA 15 H ALA 15 0.281 1.720 -0.945
116 HA ALA 15 HA ALA 15 2.531 0.415 0.176
117 HB1 ALA 15 HB1 ALA 15 0.577 -0.854 -0.552
118 HB2 ALA 15 HB2 ALA 15 2.043 -1.375 -1.395
119 HB3 ALA 15 HB3 ALA 15 0.870 -0.340 -2.218
120 H THR 16 H THR 16 2.000 2.365 -2.640
121 HA THR 16 HA THR 16 4.501 1.608 -3.794
122 HB THR 16 HB THR 16 2.885 4.097 -4.439
123 HG1 THR 16 HG1 THR 16 1.625 2.280 -4.908
124 HG21 THR 16 HG21 THR 16 5.210 4.149 -5.239
125 HG22 THR 16 HG22 THR 16 4.085 3.978 -6.589
126 HG23 THR 16 HG23 THR 16 4.975 2.572 -5.986
127 H ILE 17 H ILE 17 3.450 4.277 -1.702
128 HA ILE 17 HA ILE 17 6.095 5.335 -1.790
129 HB ILE 17 HB ILE 17 4.325 6.917 -1.424
130 HG12 ILE 17 HG12 ILE 17 5.068 8.085 0.653
131 HG13 ILE 17 HG13 ILE 17 6.006 6.658 1.068
132 HG21 ILE 17 HG21 ILE 17 3.649 5.459 1.107
133 HG22 ILE 17 HG22 ILE 17 2.688 5.535 -0.368
134 HG23 ILE 17 HG23 ILE 17 2.949 6.994 0.590
135 HD11 ILE 17 HD11 ILE 17 6.395 8.387 -1.368
136 HD12 ILE 17 HD12 ILE 17 7.364 6.971 -0.939
137 HD13 ILE 17 HD13 ILE 17 7.387 8.403 0.088
138 H PHE 18 H PHE 18 4.287 3.646 0.800
139 HA PHE 18 HA PHE 18 6.671 3.470 2.366
140 HB2 PHE 18 HB2 PHE 18 3.954 2.272 2.865
141 HB3 PHE 18 HB3 PHE 18 5.297 2.248 4.007
142 HD1 PHE 18 HD1 PHE 18 2.331 3.759 3.534
143 HD2 PHE 18 HD2 PHE 18 6.419 4.805 3.972
144 HE1 PHE 18 HE1 PHE 18 1.660 5.992 4.342
145 HE2 PHE 18 HE2 PHE 18 5.767 7.041 4.803
146 HZ PHE 18 HZ PHE 18 3.385 7.634 4.985
147 H GLY 19 H GLY 19 4.641 1.086 0.767
148 HA2 GLY 19 HA2 GLY 19 6.128 -1.190 1.556
149 HA3 GLY 19 HA3 GLY 19 5.014 -1.111 0.194
150 H LEU 20 H LEU 20 6.060 0.514 -1.536
151 HA LEU 20 HA LEU 20 8.071 -0.970 -2.732
152 HB2 LEU 20 HB2 LEU 20 6.452 0.979 -3.581
153 HB3 LEU 20 HB3 LEU 20 7.951 1.881 -3.459
154 HG LEU 20 HG LEU 20 8.964 -0.005 -4.830
155 HD11 LEU 20 HD11 LEU 20 7.392 -1.239 -6.242
156 HD12 LEU 20 HD12 LEU 20 6.057 -0.447 -5.405
157 HD13 LEU 20 HD13 LEU 20 7.103 -1.554 -4.522
158 HD21 LEU 20 HD21 LEU 20 8.606 2.229 -5.715
159 HD22 LEU 20 HD22 LEU 20 6.921 1.835 -6.079
160 HD23 LEU 20 HD23 LEU 20 8.230 1.011 -6.931
161 H ALA 21 H ALA 21 8.358 1.771 -0.477
162 HA ALA 21 HA ALA 21 11.046 2.377 -0.897
163 HB1 ALA 21 HB1 ALA 21 11.000 3.276 1.389
164 HB2 ALA 21 HB2 ALA 21 9.466 2.452 1.670
165 HB3 ALA 21 HB3 ALA 21 9.561 3.756 0.486
166 H ALA 22 H ALA 22 9.523 -0.266 0.783
167 HA ALA 22 HA ALA 22 11.889 -1.112 2.132
168 HB1 ALA 22 HB1 ALA 22 10.646 -3.139 2.655
169 HB2 ALA 22 HB2 ALA 22 9.389 -2.674 1.508
170 HB3 ALA 22 HB3 ALA 22 9.656 -1.709 2.965
171 H TRP 23 H TRP 23 10.513 -1.687 -0.987
172 HA TRP 23 HA TRP 23 12.384 -3.848 -1.427
173 HB2 TRP 23 HB2 TRP 23 9.821 -3.329 -2.387
174 HB3 TRP 23 HB3 TRP 23 10.879 -3.080 -3.758
175 HD1 TRP 23 HD1 TRP 23 10.872 -5.243 -5.156
176 HE1 TRP 23 HE1 TRP 23 11.160 -7.751 -4.661
177 HE3 TRP 23 HE3 TRP 23 11.078 -5.028 -0.059
178 HZ2 TRP 23 HZ2 TRP 23 11.456 -9.419 -2.379
179 HZ3 TRP 23 HZ3 TRP 23 11.383 -7.080 1.212
180 HH2 TRP 23 HH2 TRP 23 11.566 -9.256 0.078
181 H ALA 24 H ALA 24 11.773 -0.623 -2.676
182 HA ALA 24 HA ALA 24 13.969 -0.726 -4.492
183 HB1 ALA 24 HB1 ALA 24 12.020 0.697 -4.895
184 HB2 ALA 24 HB2 ALA 24 13.514 1.634 -4.872
185 HB3 ALA 24 HB3 ALA 24 12.436 1.657 -3.476
186 H LEU 25 H LEU 25 13.415 1.030 -1.469
187 HA LEU 25 HA LEU 25 16.090 2.053 -1.444
188 HB2 LEU 25 HB2 LEU 25 13.803 2.348 0.471
189 HB3 LEU 25 HB3 LEU 25 15.354 3.169 0.649
190 HG LEU 25 HG LEU 25 13.383 3.498 -1.617
191 HD11 LEU 25 HD11 LEU 25 13.011 5.710 -0.684
192 HD12 LEU 25 HD12 LEU 25 14.050 5.310 0.688
193 HD13 LEU 25 HD13 LEU 25 12.541 4.432 0.434
194 HD21 LEU 25 HD21 LEU 25 15.988 4.909 -1.045
195 HD22 LEU 25 HD22 LEU 25 14.806 5.423 -2.235
196 HD23 LEU 25 HD23 LEU 25 15.622 3.874 -2.427
197 H LEU 26 H LEU 26 14.354 -0.459 0.314
198 HA LEU 26 HA LEU 26 16.496 -0.651 2.256
199 HB2 LEU 26 HB2 LEU 26 14.224 -0.592 3.063
200 HB3 LEU 26 HB3 LEU 26 13.812 -1.976 2.073
201 HG LEU 26 HG LEU 26 15.509 -3.239 3.424
202 HD11 LEU 26 HD11 LEU 26 15.946 -2.392 5.706
203 HD12 LEU 26 HD12 LEU 26 15.211 -0.855 5.241
204 HD13 LEU 26 HD13 LEU 26 16.684 -1.407 4.446
205 HD21 LEU 26 HD21 LEU 26 13.139 -3.625 3.662
206 HD22 LEU 26 HD22 LEU 26 12.981 -2.229 4.721
207 HD23 LEU 26 HD23 LEU 26 13.884 -3.647 5.262
208 H ALA 27 H ALA 27 15.494 -2.219 -0.521
209 HA ALA 27 HA ALA 27 17.051 -4.604 0.209
210 HB1 ALA 27 HB1 ALA 27 14.911 -4.409 -1.918
211 HB2 ALA 27 HB2 ALA 27 14.693 -5.087 -0.307
212 HB3 ALA 27 HB3 ALA 27 15.767 -5.877 -1.450
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 -13.104 10.402 -4.066
2 H2 ARG 1 HT2 ARG 1 -11.707 11.221 -3.556
3 H3 ARG 1 HT3 ARG 1 -12.863 10.693 -2.434
4 HA ARG 1 HA ARG 1 -11.326 8.900 -4.181
5 HB2 ARG 1 HB2 ARG 1 -11.063 9.453 -1.210
6 HB3 ARG 1 HB3 ARG 1 -10.161 8.242 -2.092
7 HG2 ARG 1 HG2 ARG 1 -9.012 9.914 -3.354
8 HG3 ARG 1 HG3 ARG 1 -10.021 11.188 -2.668
9 HD2 ARG 1 HD2 ARG 1 -9.127 10.646 -0.446
10 HD3 ARG 1 HD3 ARG 1 -8.085 9.432 -1.179
11 HE ARG 1 HE ARG 1 -7.808 12.070 -2.290
12 HH11 ARG 1 HH11 ARG 1 -6.725 9.961 0.288
13 HH12 ARG 1 HH12 ARG 1 -5.193 10.681 0.460
14 HH21 ARG 1 HH21 ARG 1 -5.809 13.117 -2.045
15 HH22 ARG 1 HH22 ARG 1 -4.631 12.598 -0.926
16 H ASN 2 H ASN 2 -11.523 6.657 -3.022
17 HA ASN 2 HA ASN 2 -14.344 6.329 -2.264
18 HB2 ASN 2 HB2 ASN 2 -12.502 4.442 -3.738
19 HB3 ASN 2 HB3 ASN 2 -14.026 3.932 -3.031
20 HD21 ASN 2 HD21 ASN 2 -13.175 3.897 -5.768
21 HD22 ASN 2 HD22 ASN 2 -14.324 4.837 -6.659
22 H LYS 3 H LYS 3 -14.604 5.829 -0.209
23 HA LYS 3 HA LYS 3 -12.351 4.712 1.178
24 HB2 LYS 3 HB2 LYS 3 -13.542 6.401 2.414
25 HB3 LYS 3 HB3 LYS 3 -15.084 5.525 2.218
26 HG2 LYS 3 HG2 LYS 3 -14.286 5.163 4.435
27 HG3 LYS 3 HG3 LYS 3 -14.025 3.695 3.463
28 HD2 LYS 3 HD2 LYS 3 -11.701 5.050 3.091
29 HD3 LYS 3 HD3 LYS 3 -12.092 5.384 4.785
30 HE2 LYS 3 HE2 LYS 3 -12.156 2.737 3.477
31 HE3 LYS 3 HE3 LYS 3 -10.802 3.311 4.479
32 HZ1 LYS 3 HZ1 LYS 3 -13.613 2.961 5.430
33 HZ2 LYS 3 HZ2 LYS 3 -12.263 3.341 6.394
34 HZ3 LYS 3 HZ3 LYS 3 -12.403 1.843 5.671
35 H LEU 4 H LEU 4 -12.028 2.742 0.710
36 HA LEU 4 HA LEU 4 -14.155 0.769 1.086
37 HB2 LEU 4 HB2 LEU 4 -13.781 1.439 -1.324
38 HB3 LEU 4 HB3 LEU 4 -12.170 0.777 -1.188
39 HG LEU 4 HG LEU 4 -13.230 -1.449 -0.627
40 HD11 LEU 4 HD11 LEU 4 -15.411 -0.632 0.070
41 HD12 LEU 4 HD12 LEU 4 -15.551 -1.777 -1.265
42 HD13 LEU 4 HD13 LEU 4 -15.723 -0.050 -1.567
43 HD21 LEU 4 HD21 LEU 4 -13.770 -1.952 -2.957
44 HD22 LEU 4 HD22 LEU 4 -12.331 -0.938 -2.834
45 HD23 LEU 4 HD23 LEU 4 -13.876 -0.226 -3.297
46 H ALA 5 H ALA 5 -13.270 -1.246 1.752
47 HA ALA 5 HA ALA 5 -11.041 -1.070 3.427
48 HB1 ALA 5 HB1 ALA 5 -12.888 -2.621 3.811
49 HB2 ALA 5 HB2 ALA 5 -11.334 -3.460 3.779
50 HB3 ALA 5 HB3 ALA 5 -12.410 -3.537 2.379
51 H TYR 6 H TYR 6 -11.403 -2.030 0.176
52 HA TYR 6 HA TYR 6 -8.819 -3.253 0.001
53 HB2 TYR 6 HB2 TYR 6 -10.747 -2.434 -2.163
54 HB3 TYR 6 HB3 TYR 6 -9.237 -3.289 -2.451
55 HD1 TYR 6 HD1 TYR 6 -8.931 -5.574 -1.601
56 HD2 TYR 6 HD2 TYR 6 -12.676 -3.584 -1.323
57 HE1 TYR 6 HE1 TYR 6 -10.019 -7.710 -1.167
58 HE2 TYR 6 HE2 TYR 6 -13.787 -5.715 -0.880
59 HH TYR 6 HH TYR 6 -12.120 -8.442 -0.010
60 H ASN 7 H ASN 7 -10.102 -0.123 -0.421
61 HA ASN 7 HA ASN 7 -7.776 0.860 -1.823
62 HB2 ASN 7 HB2 ASN 7 -9.995 1.986 -2.194
63 HB3 ASN 7 HB3 ASN 7 -9.956 2.505 -0.516
64 HD21 ASN 7 HD21 ASN 7 -10.019 4.709 -1.204
65 HD22 ASN 7 HD22 ASN 7 -8.597 5.479 -1.814
66 H MET 8 H MET 8 -9.131 1.551 1.397
67 HA MET 8 HA MET 8 -6.570 2.576 2.094
68 HB2 MET 8 HB2 MET 8 -9.086 2.356 3.687
69 HB3 MET 8 HB3 MET 8 -7.574 2.834 4.438
70 HG2 MET 8 HG2 MET 8 -8.746 4.250 2.063
71 HG3 MET 8 HG3 MET 8 -9.174 4.669 3.707
72 HE1 MET 8 HE1 MET 8 -6.476 4.690 0.918
73 HE2 MET 8 HE2 MET 8 -5.324 3.954 2.073
74 HE3 MET 8 HE3 MET 8 -5.179 5.632 1.618
75 H GLY 9 H GLY 9 -8.379 -0.146 3.475
76 HA2 GLY 9 HA2 GLY 9 -6.327 -0.953 5.218
77 HA3 GLY 9 HA3 GLY 9 -7.673 -1.942 4.704
78 H HIS 10 H HIS 10 -7.158 -2.202 2.028
79 HA HIS 10 HA HIS 10 -5.201 -4.289 2.107
80 HB2 HIS 10 HB2 HIS 10 -7.234 -4.266 0.682
81 HB3 HIS 10 HB3 HIS 10 -6.485 -3.016 -0.316
82 HD1 HIS 10 HD1 HIS 10 -5.140 -6.344 0.999
83 HD2 HIS 10 HD2 HIS 10 -5.779 -4.292 -2.542
84 HE1 HIS 10 HE1 HIS 10 -4.211 -7.764 -0.753
85 H TYR 11 H TYR 11 -5.129 -0.992 0.796
86 HA TYR 11 HA TYR 11 -2.470 -1.287 -0.140
87 HB2 TYR 11 HB2 TYR 11 -4.290 1.052 0.074
88 HB3 TYR 11 HB3 TYR 11 -2.575 1.301 -0.257
89 HD1 TYR 11 HD1 TYR 11 -1.643 0.749 -2.348
90 HD2 TYR 11 HD2 TYR 11 -5.678 -0.215 -1.501
91 HE1 TYR 11 HE1 TYR 11 -1.985 0.237 -4.684
92 HE2 TYR 11 HE2 TYR 11 -6.062 -0.755 -3.863
93 HH TYR 11 HH TYR 11 -3.494 -1.136 -6.052
94 H ALA 12 H ALA 12 -3.781 -0.285 2.903
95 HA ALA 12 HA ALA 12 -1.589 1.026 3.974
96 HB1 ALA 12 HB1 ALA 12 -2.414 0.308 6.175
97 HB2 ALA 12 HB2 ALA 12 -3.434 -0.897 5.395
98 HB3 ALA 12 HB3 ALA 12 -3.752 0.815 5.140
99 H GLY 13 H GLY 13 -2.231 -2.418 3.784
100 HA2 GLY 13 HA2 GLY 13 0.226 -3.151 5.065
101 HA3 GLY 13 HA3 GLY 13 -0.841 -4.246 4.195
102 H LYS 14 H LYS 14 -0.865 -2.907 1.735
103 HA LYS 14 HA LYS 14 1.465 -4.034 0.620
104 HB2 LYS 14 HB2 LYS 14 -0.914 -2.683 -0.497
105 HB3 LYS 14 HB3 LYS 14 0.515 -2.760 -1.518
106 HG2 LYS 14 HG2 LYS 14 -1.050 -4.622 -1.887
107 HG3 LYS 14 HG3 LYS 14 0.548 -5.161 -1.384
108 HD2 LYS 14 HD2 LYS 14 -0.347 -5.355 0.937
109 HD3 LYS 14 HD3 LYS 14 -1.943 -4.973 0.302
110 HE2 LYS 14 HE2 LYS 14 -1.915 -6.932 -1.083
111 HE3 LYS 14 HE3 LYS 14 -0.250 -7.282 -0.605
112 HZ1 LYS 14 HZ1 LYS 14 -1.834 -8.616 0.593
113 HZ2 LYS 14 HZ2 LYS 14 -2.587 -7.241 1.229
114 HZ3 LYS 14 HZ3 LYS 14 -0.994 -7.607 1.643
115 H ALA 15 H ALA 15 0.629 -0.712 1.289
116 HA ALA 15 HA ALA 15 2.912 0.278 -0.054
117 HB1 ALA 15 HB1 ALA 15 1.301 1.580 2.136
118 HB2 ALA 15 HB2 ALA 15 0.994 1.716 0.395
119 HB3 ALA 15 HB3 ALA 15 2.487 2.364 1.090
120 H THR 16 H THR 16 2.346 -1.026 3.113
121 HA THR 16 HA THR 16 4.834 -0.070 4.091
122 HB THR 16 HB THR 16 3.248 -2.362 5.278
123 HG1 THR 16 HG1 THR 16 1.822 -0.631 5.320
124 HG21 THR 16 HG21 THR 16 4.407 -1.600 7.342
125 HG22 THR 16 HG22 THR 16 5.219 -0.355 6.376
126 HG23 THR 16 HG23 THR 16 5.550 -2.048 6.065
127 H ILE 17 H ILE 17 3.769 -3.164 2.687
128 HA ILE 17 HA ILE 17 6.436 -4.159 3.015
129 HB ILE 17 HB ILE 17 4.701 -5.838 3.072
130 HG12 ILE 17 HG12 ILE 17 6.305 -6.166 0.528
131 HG13 ILE 17 HG13 ILE 17 6.891 -6.523 2.153
132 HG21 ILE 17 HG21 ILE 17 2.994 -4.820 1.746
133 HG22 ILE 17 HG22 ILE 17 3.325 -6.438 1.120
134 HG23 ILE 17 HG23 ILE 17 3.957 -5.019 0.281
135 HD11 ILE 17 HD11 ILE 17 4.635 -7.931 0.723
136 HD12 ILE 17 HD12 ILE 17 5.239 -8.318 2.339
137 HD13 ILE 17 HD13 ILE 17 6.278 -8.535 0.934
138 H PHE 18 H PHE 18 4.612 -3.142 0.125
139 HA PHE 18 HA PHE 18 6.949 -3.447 -1.513
140 HB2 PHE 18 HB2 PHE 18 4.267 -2.259 -2.230
141 HB3 PHE 18 HB3 PHE 18 5.548 -2.667 -3.358
142 HD1 PHE 18 HD1 PHE 18 6.429 -5.272 -2.402
143 HD2 PHE 18 HD2 PHE 18 2.515 -3.657 -2.715
144 HE1 PHE 18 HE1 PHE 18 5.502 -7.556 -2.624
145 HE2 PHE 18 HE2 PHE 18 1.588 -5.931 -2.942
146 HZ PHE 18 HZ PHE 18 3.085 -7.874 -2.887
147 H GLY 19 H GLY 19 4.925 -0.736 -0.586
148 HA2 GLY 19 HA2 GLY 19 6.332 1.325 -1.878
149 HA3 GLY 19 HA3 GLY 19 5.267 1.491 -0.485
150 H LEU 20 H LEU 20 6.418 0.383 1.505
151 HA LEU 20 HA LEU 20 8.442 2.140 2.237
152 HB2 LEU 20 HB2 LEU 20 6.853 0.476 3.583
153 HB3 LEU 20 HB3 LEU 20 8.346 -0.442 3.634
154 HG LEU 20 HG LEU 20 9.426 1.695 4.473
155 HD11 LEU 20 HD11 LEU 20 7.562 3.162 3.872
156 HD12 LEU 20 HD12 LEU 20 7.935 3.270 5.600
157 HD13 LEU 20 HD13 LEU 20 6.549 2.320 5.046
158 HD21 LEU 20 HD21 LEU 20 9.061 -0.268 5.866
159 HD22 LEU 20 HD22 LEU 20 7.412 0.264 6.201
160 HD23 LEU 20 HD23 LEU 20 8.787 1.215 6.776
161 H ALA 21 H ALA 21 8.661 -1.126 0.797
162 HA ALA 21 HA ALA 21 11.412 -1.470 1.221
163 HB1 ALA 21 HB1 ALA 21 11.287 -3.110 -0.581
164 HB2 ALA 21 HB2 ALA 21 9.699 -2.489 -1.035
165 HB3 ALA 21 HB3 ALA 21 9.921 -3.291 0.522
166 H ALA 22 H ALA 22 9.566 0.299 -1.147
167 HA ALA 22 HA ALA 22 11.736 0.830 -2.898
168 HB1 ALA 22 HB1 ALA 22 9.227 2.445 -2.455
169 HB2 ALA 22 HB2 ALA 22 9.380 1.100 -3.584
170 HB3 ALA 22 HB3 ALA 22 10.309 2.581 -3.843
171 H TRP 23 H TRP 23 10.601 2.260 0.020
172 HA TRP 23 HA TRP 23 12.385 4.495 -0.306
173 HB2 TRP 23 HB2 TRP 23 10.034 4.081 1.076
174 HB3 TRP 23 HB3 TRP 23 11.249 4.211 2.343
175 HD1 TRP 23 HD1 TRP 23 11.203 6.641 3.167
176 HE1 TRP 23 HE1 TRP 23 11.143 8.977 2.056
177 HE3 TRP 23 HE3 TRP 23 10.860 5.215 -1.728
178 HZ2 TRP 23 HZ2 TRP 23 11.014 10.056 -0.552
179 HZ3 TRP 23 HZ3 TRP 23 10.796 6.919 -3.463
180 HH2 TRP 23 HH2 TRP 23 10.863 9.312 -2.899
181 H ALA 24 H ALA 24 12.188 1.654 1.761
182 HA ALA 24 HA ALA 24 14.596 2.288 3.136
183 HB1 ALA 24 HB1 ALA 24 13.192 -0.368 2.941
184 HB2 ALA 24 HB2 ALA 24 12.813 0.895 4.102
185 HB3 ALA 24 HB3 ALA 24 14.388 0.097 4.154
186 H LEU 25 H LEU 25 13.796 -0.130 0.667
187 HA LEU 25 HA LEU 25 16.525 -0.999 0.494
188 HB2 LEU 25 HB2 LEU 25 13.981 -1.878 -0.795
189 HB3 LEU 25 HB3 LEU 25 15.546 -2.555 -1.287
190 HG LEU 25 HG LEU 25 14.245 -2.727 1.449
191 HD11 LEU 25 HD11 LEU 25 13.121 -4.098 -0.216
192 HD12 LEU 25 HD12 LEU 25 14.014 -5.097 0.939
193 HD13 LEU 25 HD13 LEU 25 14.665 -4.818 -0.675
194 HD21 LEU 25 HD21 LEU 25 16.794 -3.949 0.411
195 HD22 LEU 25 HD22 LEU 25 16.051 -4.291 1.972
196 HD23 LEU 25 HD23 LEU 25 16.665 -2.675 1.622
197 H LEU 26 H LEU 26 14.410 1.023 -1.437
198 HA LEU 26 HA LEU 26 16.287 0.858 -3.663
199 HB2 LEU 26 HB2 LEU 26 13.987 0.421 -4.202
200 HB3 LEU 26 HB3 LEU 26 13.497 1.926 -3.461
201 HG LEU 26 HG LEU 26 14.819 3.100 -5.210
202 HD11 LEU 26 HD11 LEU 26 16.234 1.305 -5.972
203 HD12 LEU 26 HD12 LEU 26 15.238 1.879 -7.313
204 HD13 LEU 26 HD13 LEU 26 14.824 0.383 -6.485
205 HD21 LEU 26 HD21 LEU 26 12.438 3.093 -5.316
206 HD22 LEU 26 HD22 LEU 26 12.413 1.463 -5.986
207 HD23 LEU 26 HD23 LEU 26 13.048 2.797 -6.945
208 H ALA 27 H ALA 27 15.464 2.946 -1.205
209 HA ALA 27 HA ALA 27 16.622 5.191 -2.686
210 HB1 ALA 27 HB1 ALA 27 15.466 6.723 -1.200
211 HB2 ALA 27 HB2 ALA 27 14.878 5.367 -0.237
212 HB3 ALA 27 HB3 ALA 27 14.319 5.575 -1.894
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 16.709 -9.948 -1.185
2 H2 ARG 1 HT2 ARG 1 16.789 -8.381 -0.561
3 H3 ARG 1 HT3 ARG 1 17.101 -8.644 -2.184
4 HA ARG 1 HA ARG 1 14.901 -9.210 -2.635
5 HB2 ARG 1 HB2 ARG 1 14.548 -8.735 0.322
6 HB3 ARG 1 HB3 ARG 1 13.222 -8.672 -0.827
7 HG2 ARG 1 HG2 ARG 1 14.976 -11.073 -0.434
8 HG3 ARG 1 HG3 ARG 1 13.436 -10.811 0.395
9 HD2 ARG 1 HD2 ARG 1 12.327 -10.681 -1.807
10 HD3 ARG 1 HD3 ARG 1 13.876 -11.055 -2.572
11 HE ARG 1 HE ARG 1 13.588 -13.062 -0.845
12 HH11 ARG 1 HH11 ARG 1 11.296 -11.805 -3.301
13 HH12 ARG 1 HH12 ARG 1 10.634 -13.344 -3.562
14 HH21 ARG 1 HH21 ARG 1 12.621 -15.068 -1.262
15 HH22 ARG 1 HH22 ARG 1 11.371 -15.244 -2.407
16 H ASN 2 H ASN 2 13.073 -7.467 -2.497
17 HA ASN 2 HA ASN 2 14.486 -5.009 -3.001
18 HB2 ASN 2 HB2 ASN 2 12.829 -5.892 -4.640
19 HB3 ASN 2 HB3 ASN 2 11.564 -5.599 -3.443
20 HD21 ASN 2 HD21 ASN 2 10.525 -4.165 -4.772
21 HD22 ASN 2 HD22 ASN 2 11.138 -2.584 -5.126
22 H LYS 3 H LYS 3 15.007 -4.362 -0.988
23 HA LYS 3 HA LYS 3 12.867 -3.591 0.903
24 HB2 LYS 3 HB2 LYS 3 14.662 -5.083 1.701
25 HB3 LYS 3 HB3 LYS 3 15.854 -3.895 1.221
26 HG2 LYS 3 HG2 LYS 3 14.427 -2.340 2.836
27 HG3 LYS 3 HG3 LYS 3 13.995 -3.902 3.546
28 HD2 LYS 3 HD2 LYS 3 15.909 -3.092 4.721
29 HD3 LYS 3 HD3 LYS 3 16.482 -4.385 3.660
30 HE2 LYS 3 HE2 LYS 3 17.081 -2.571 1.977
31 HE3 LYS 3 HE3 LYS 3 16.694 -1.416 3.240
32 HZ1 LYS 3 HZ1 LYS 3 19.048 -1.872 3.137
33 HZ2 LYS 3 HZ2 LYS 3 18.742 -3.516 3.411
34 HZ3 LYS 3 HZ3 LYS 3 18.389 -2.399 4.609
35 H LEU 4 H LEU 4 12.513 -1.462 1.173
36 HA LEU 4 HA LEU 4 14.423 0.559 1.028
37 HB2 LEU 4 HB2 LEU 4 14.232 0.097 -1.441
38 HB3 LEU 4 HB3 LEU 4 12.518 0.446 -1.332
39 HG LEU 4 HG LEU 4 13.084 2.771 -0.662
40 HD11 LEU 4 HD11 LEU 4 15.296 2.398 0.251
41 HD12 LEU 4 HD12 LEU 4 15.346 3.598 -1.032
42 HD13 LEU 4 HD13 LEU 4 15.894 1.951 -1.346
43 HD21 LEU 4 HD21 LEU 4 13.742 3.491 -2.907
44 HD22 LEU 4 HD22 LEU 4 12.525 2.215 -2.969
45 HD23 LEU 4 HD23 LEU 4 14.216 1.838 -3.295
46 H ALA 5 H ALA 5 13.474 2.480 1.730
47 HA ALA 5 HA ALA 5 11.272 2.351 3.350
48 HB1 ALA 5 HB1 ALA 5 12.422 4.810 2.055
49 HB2 ALA 5 HB2 ALA 5 12.986 4.066 3.554
50 HB3 ALA 5 HB3 ALA 5 11.384 4.796 3.479
51 H TYR 6 H TYR 6 11.432 3.028 0.005
52 HA TYR 6 HA TYR 6 8.736 4.026 -0.080
53 HB2 TYR 6 HB2 TYR 6 10.753 3.616 -2.288
54 HB3 TYR 6 HB3 TYR 6 9.115 4.224 -2.557
55 HD1 TYR 6 HD1 TYR 6 8.424 6.374 -1.695
56 HD2 TYR 6 HD2 TYR 6 12.415 5.012 -1.178
57 HE1 TYR 6 HE1 TYR 6 9.101 8.627 -1.019
58 HE2 TYR 6 HE2 TYR 6 13.107 7.267 -0.499
59 HH TYR 6 HH TYR 6 10.912 9.609 0.382
60 H ASN 7 H ASN 7 10.253 1.069 -0.319
61 HA ASN 7 HA ASN 7 8.113 -0.203 -1.748
62 HB2 ASN 7 HB2 ASN 7 10.348 -1.453 -0.122
63 HB3 ASN 7 HB3 ASN 7 9.168 -2.336 -1.091
64 HD21 ASN 7 HD21 ASN 7 12.017 -2.296 -1.317
65 HD22 ASN 7 HD22 ASN 7 12.358 -1.742 -2.917
66 H MET 8 H MET 8 9.281 -0.316 1.569
67 HA MET 8 HA MET 8 6.841 -1.553 2.335
68 HB2 MET 8 HB2 MET 8 9.296 -0.804 3.840
69 HB3 MET 8 HB3 MET 8 7.864 -1.313 4.736
70 HG2 MET 8 HG2 MET 8 9.222 -2.942 2.586
71 HG3 MET 8 HG3 MET 8 9.697 -3.002 4.268
72 HE1 MET 8 HE1 MET 8 5.829 -3.048 2.741
73 HE2 MET 8 HE2 MET 8 5.797 -4.790 2.513
74 HE3 MET 8 HE3 MET 8 6.978 -3.808 1.637
75 H GLY 9 H GLY 9 8.302 1.517 3.378
76 HA2 GLY 9 HA2 GLY 9 6.051 2.337 4.876
77 HA3 GLY 9 HA3 GLY 9 7.398 3.343 4.365
78 H HIS 10 H HIS 10 7.114 3.265 1.659
79 HA HIS 10 HA HIS 10 5.007 5.180 1.297
80 HB2 HIS 10 HB2 HIS 10 7.083 5.237 -0.051
81 HB3 HIS 10 HB3 HIS 10 6.597 3.739 -0.845
82 HD1 HIS 10 HD1 HIS 10 4.593 6.876 -0.173
83 HD2 HIS 10 HD2 HIS 10 5.967 4.550 -3.303
84 HE1 HIS 10 HE1 HIS 10 3.505 7.784 -2.181
85 H TYR 11 H TYR 11 5.239 1.736 0.467
86 HA TYR 11 HA TYR 11 2.675 1.717 -0.686
87 HB2 TYR 11 HB2 TYR 11 4.549 -0.400 0.157
88 HB3 TYR 11 HB3 TYR 11 2.849 -0.830 -0.054
89 HD1 TYR 11 HD1 TYR 11 5.818 0.507 -1.735
90 HD2 TYR 11 HD2 TYR 11 1.889 -0.981 -2.164
91 HE1 TYR 11 HE1 TYR 11 6.156 0.356 -4.169
92 HE2 TYR 11 HE2 TYR 11 2.163 -1.152 -4.572
93 HH TYR 11 HH TYR 11 5.287 -0.748 -6.043
94 H ALA 12 H ALA 12 3.756 1.419 2.581
95 HA ALA 12 HA ALA 12 1.416 0.441 3.740
96 HB1 ALA 12 HB1 ALA 12 3.309 2.511 4.884
97 HB2 ALA 12 HB2 ALA 12 3.489 0.766 5.035
98 HB3 ALA 12 HB3 ALA 12 2.127 1.582 5.806
99 H GLY 13 H GLY 13 2.253 3.606 2.583
100 HA2 GLY 13 HA2 GLY 13 -0.013 4.975 3.576
101 HA3 GLY 13 HA3 GLY 13 0.969 5.477 2.202
102 H LYS 14 H LYS 14 0.637 3.474 0.447
103 HA LYS 14 HA LYS 14 -1.916 4.196 -0.596
104 HB2 LYS 14 HB2 LYS 14 0.179 2.358 -1.713
105 HB3 LYS 14 HB3 LYS 14 -1.388 2.529 -2.475
106 HG2 LYS 14 HG2 LYS 14 -0.153 4.036 -3.686
107 HG3 LYS 14 HG3 LYS 14 -0.823 5.071 -2.432
108 HD2 LYS 14 HD2 LYS 14 1.467 5.648 -2.621
109 HD3 LYS 14 HD3 LYS 14 1.332 4.681 -1.152
110 HE2 LYS 14 HE2 LYS 14 3.272 3.972 -2.422
111 HE3 LYS 14 HE3 LYS 14 2.057 2.696 -2.439
112 HZ1 LYS 14 HZ1 LYS 14 3.062 3.080 -4.638
113 HZ2 LYS 14 HZ2 LYS 14 2.485 4.648 -4.634
114 HZ3 LYS 14 HZ3 LYS 14 1.411 3.368 -4.637
115 H ALA 15 H ALA 15 -0.668 1.313 0.899
116 HA ALA 15 HA ALA 15 -2.925 -0.232 0.192
117 HB1 ALA 15 HB1 ALA 15 -2.111 -1.860 1.737
118 HB2 ALA 15 HB2 ALA 15 -0.975 -0.693 2.432
119 HB3 ALA 15 HB3 ALA 15 -0.778 -1.241 0.753
120 H THR 16 H THR 16 -2.193 1.885 2.851
121 HA THR 16 HA THR 16 -4.449 0.992 4.334
122 HB THR 16 HB THR 16 -2.960 3.603 4.759
123 HG1 THR 16 HG1 THR 16 -1.437 2.027 5.032
124 HG21 THR 16 HG21 THR 16 -5.131 3.411 5.904
125 HG22 THR 16 HG22 THR 16 -3.810 3.339 7.075
126 HG23 THR 16 HG23 THR 16 -4.632 1.859 6.559
127 H ILE 17 H ILE 17 -3.839 3.735 2.127
128 HA ILE 17 HA ILE 17 -6.522 4.607 2.565
129 HB ILE 17 HB ILE 17 -4.913 6.334 2.017
130 HG12 ILE 17 HG12 ILE 17 -6.056 7.487 0.125
131 HG13 ILE 17 HG13 ILE 17 -6.947 6.005 -0.198
132 HG21 ILE 17 HG21 ILE 17 -4.539 4.982 -0.639
133 HG22 ILE 17 HG22 ILE 17 -3.353 5.132 0.660
134 HG23 ILE 17 HG23 ILE 17 -3.907 6.567 -0.198
135 HD11 ILE 17 HD11 ILE 17 -7.983 6.155 2.017
136 HD12 ILE 17 HD12 ILE 17 -8.290 7.601 1.060
137 HD13 ILE 17 HD13 ILE 17 -7.068 7.630 2.335
138 H PHE 18 H PHE 18 -4.955 3.064 -0.258
139 HA PHE 18 HA PHE 18 -7.491 2.799 -1.574
140 HB2 PHE 18 HB2 PHE 18 -4.811 1.659 -2.359
141 HB3 PHE 18 HB3 PHE 18 -6.235 1.732 -3.391
142 HD1 PHE 18 HD1 PHE 18 -3.214 3.070 -3.149
143 HD2 PHE 18 HD2 PHE 18 -7.251 4.366 -3.066
144 HE1 PHE 18 HE1 PHE 18 -2.482 5.295 -3.857
145 HE2 PHE 18 HE2 PHE 18 -6.539 6.625 -3.798
146 HZ PHE 18 HZ PHE 18 -4.139 7.085 -4.189
147 H GLY 19 H GLY 19 -5.090 0.462 -0.442
148 HA2 GLY 19 HA2 GLY 19 -6.518 -1.881 -0.984
149 HA3 GLY 19 HA3 GLY 19 -5.269 -1.728 0.234
150 H LEU 20 H LEU 20 -6.218 -0.233 2.103
151 HA LEU 20 HA LEU 20 -8.146 -1.799 3.381
152 HB2 LEU 20 HB2 LEU 20 -6.621 0.493 4.083
153 HB3 LEU 20 HB3 LEU 20 -8.269 0.662 4.687
154 HG LEU 20 HG LEU 20 -8.008 -1.646 5.589
155 HD11 LEU 20 HD11 LEU 20 -6.016 -2.317 4.347
156 HD12 LEU 20 HD12 LEU 20 -5.729 -2.416 6.086
157 HD13 LEU 20 HD13 LEU 20 -5.080 -1.063 5.170
158 HD21 LEU 20 HD21 LEU 20 -6.847 -0.860 7.620
159 HD22 LEU 20 HD22 LEU 20 -8.073 0.253 7.010
160 HD23 LEU 20 HD23 LEU 20 -6.361 0.588 6.730
161 H ALA 21 H ALA 21 -8.600 1.038 1.420
162 HA ALA 21 HA ALA 21 -11.269 1.581 2.146
163 HB1 ALA 21 HB1 ALA 21 -9.978 3.145 0.758
164 HB2 ALA 21 HB2 ALA 21 -11.499 2.714 -0.020
165 HB3 ALA 21 HB3 ALA 21 -9.991 1.979 -0.559
166 H ALA 22 H ALA 22 -9.878 -0.866 0.175
167 HA ALA 22 HA ALA 22 -12.273 -1.578 -1.175
168 HB1 ALA 22 HB1 ALA 22 -10.061 -2.178 -2.048
169 HB2 ALA 22 HB2 ALA 22 -11.099 -3.586 -1.840
170 HB3 ALA 22 HB3 ALA 22 -9.819 -3.248 -0.668
171 H TRP 23 H TRP 23 -10.811 -2.410 1.860
172 HA TRP 23 HA TRP 23 -12.781 -4.481 2.248
173 HB2 TRP 23 HB2 TRP 23 -10.154 -4.232 3.086
174 HB3 TRP 23 HB3 TRP 23 -11.118 -4.000 4.547
175 HD1 TRP 23 HD1 TRP 23 -11.383 -6.276 5.756
176 HE1 TRP 23 HE1 TRP 23 -11.840 -8.715 5.006
177 HE3 TRP 23 HE3 TRP 23 -11.419 -5.616 0.689
178 HZ2 TRP 23 HZ2 TRP 23 -12.177 -10.144 2.625
179 HZ3 TRP 23 HZ3 TRP 23 -11.823 -7.549 -0.750
180 HH2 TRP 23 HH2 TRP 23 -12.193 -9.780 0.204
181 H ALA 24 H ALA 24 -11.904 -1.396 3.660
182 HA ALA 24 HA ALA 24 -14.062 -1.492 5.512
183 HB1 ALA 24 HB1 ALA 24 -12.032 -0.205 5.962
184 HB2 ALA 24 HB2 ALA 24 -13.474 0.814 6.051
185 HB3 ALA 24 HB3 ALA 24 -12.430 0.875 4.631
186 H LEU 25 H LEU 25 -13.549 0.487 2.601
187 HA LEU 25 HA LEU 25 -16.246 1.521 2.728
188 HB2 LEU 25 HB2 LEU 25 -14.013 2.015 0.788
189 HB3 LEU 25 HB3 LEU 25 -15.573 2.822 0.723
190 HG LEU 25 HG LEU 25 -13.592 2.997 2.982
191 HD11 LEU 25 HD11 LEU 25 -12.781 4.122 0.975
192 HD12 LEU 25 HD12 LEU 25 -13.228 5.284 2.225
193 HD13 LEU 25 HD13 LEU 25 -14.306 5.007 0.853
194 HD21 LEU 25 HD21 LEU 25 -15.027 4.823 3.785
195 HD22 LEU 25 HD22 LEU 25 -15.866 3.281 3.786
196 HD23 LEU 25 HD23 LEU 25 -16.193 4.464 2.516
197 H LEU 26 H LEU 26 -14.567 -0.814 0.701
198 HA LEU 26 HA LEU 26 -16.743 -0.827 -1.207
199 HB2 LEU 26 HB2 LEU 26 -14.423 -0.851 -1.970
200 HB3 LEU 26 HB3 LEU 26 -14.156 -2.326 -1.082
201 HG LEU 26 HG LEU 26 -15.819 -3.427 -2.526
202 HD11 LEU 26 HD11 LEU 26 -16.994 -1.496 -3.424
203 HD12 LEU 26 HD12 LEU 26 -16.311 -2.446 -4.737
204 HD13 LEU 26 HD13 LEU 26 -15.521 -0.949 -4.228
205 HD21 LEU 26 HD21 LEU 26 -13.478 -3.835 -2.845
206 HD22 LEU 26 HD22 LEU 26 -13.306 -2.354 -3.793
207 HD23 LEU 26 HD23 LEU 26 -14.241 -3.701 -4.429
208 H ALA 27 H ALA 27 -15.860 -2.529 1.518
209 HA ALA 27 HA ALA 27 -17.433 -4.854 0.690
210 HB1 ALA 27 HB1 ALA 27 -15.178 -5.389 1.477
211 HB2 ALA 27 HB2 ALA 27 -16.412 -6.073 2.541
212 HB3 ALA 27 HB3 ALA 27 -15.544 -4.625 3.019
Start of MODEL 11
1 H1 ARG 1 HT1 ARG 1 15.036 -6.941 -2.004
2 H2 ARG 1 HT2 ARG 1 16.379 -7.941 -2.100
3 H3 ARG 1 HT3 ARG 1 15.723 -7.274 -3.495
4 HA ARG 1 HA ARG 1 16.951 -5.735 -1.307
5 HB2 ARG 1 HB2 ARG 1 18.001 -6.720 -3.930
6 HB3 ARG 1 HB3 ARG 1 18.625 -5.225 -3.241
7 HG2 ARG 1 HG2 ARG 1 19.399 -6.348 -1.320
8 HG3 ARG 1 HG3 ARG 1 18.576 -7.840 -1.752
9 HD2 ARG 1 HD2 ARG 1 20.974 -7.930 -2.210
10 HD3 ARG 1 HD3 ARG 1 20.031 -8.086 -3.691
11 HE ARG 1 HE ARG 1 20.637 -5.396 -3.397
12 HH11 ARG 1 HH11 ARG 1 22.461 -8.400 -3.846
13 HH12 ARG 1 HH12 ARG 1 23.749 -7.644 -4.656
14 HH21 ARG 1 HH21 ARG 1 22.392 -4.377 -4.522
15 HH22 ARG 1 HH22 ARG 1 23.685 -5.334 -5.085
16 H ASN 2 H ASN 2 14.343 -5.313 -2.336
17 HA ASN 2 HA ASN 2 14.706 -2.932 -3.984
18 HB2 ASN 2 HB2 ASN 2 12.377 -3.221 -4.667
19 HB3 ASN 2 HB3 ASN 2 13.301 -4.665 -5.040
20 HD21 ASN 2 HD21 ASN 2 10.443 -4.287 -4.669
21 HD22 ASN 2 HD22 ASN 2 9.953 -5.356 -3.409
22 H LYS 3 H LYS 3 14.550 -3.794 -0.918
23 HA LYS 3 HA LYS 3 12.368 -2.361 0.149
24 HB2 LYS 3 HB2 LYS 3 13.681 -4.093 1.385
25 HB3 LYS 3 HB3 LYS 3 15.005 -2.938 1.493
26 HG2 LYS 3 HG2 LYS 3 13.141 -1.397 2.503
27 HG3 LYS 3 HG3 LYS 3 12.366 -2.939 2.858
28 HD2 LYS 3 HD2 LYS 3 13.680 -2.215 4.763
29 HD3 LYS 3 HD3 LYS 3 14.417 -3.648 4.043
30 HE2 LYS 3 HE2 LYS 3 16.123 -2.377 3.006
31 HE3 LYS 3 HE3 LYS 3 15.283 -0.861 3.292
32 HZ1 LYS 3 HZ1 LYS 3 16.463 -2.603 5.389
33 HZ2 LYS 3 HZ2 LYS 3 15.690 -1.135 5.637
34 HZ3 LYS 3 HZ3 LYS 3 17.146 -1.192 4.774
35 H LEU 4 H LEU 4 12.132 -0.249 0.453
36 HA LEU 4 HA LEU 4 14.265 1.632 0.802
37 HB2 LEU 4 HB2 LEU 4 14.331 1.169 -1.627
38 HB3 LEU 4 HB3 LEU 4 12.643 1.620 -1.760
39 HG LEU 4 HG LEU 4 13.327 3.938 -0.984
40 HD11 LEU 4 HD11 LEU 4 15.663 4.574 -1.200
41 HD12 LEU 4 HD12 LEU 4 16.080 2.914 -1.602
42 HD13 LEU 4 HD13 LEU 4 15.479 3.292 0.005
43 HD21 LEU 4 HD21 LEU 4 14.155 4.609 -3.177
44 HD22 LEU 4 HD22 LEU 4 12.835 3.451 -3.319
45 HD23 LEU 4 HD23 LEU 4 14.504 2.931 -3.576
46 H ALA 5 H ALA 5 13.307 3.770 1.100
47 HA ALA 5 HA ALA 5 10.988 3.793 2.616
48 HB1 ALA 5 HB1 ALA 5 12.714 5.496 2.737
49 HB2 ALA 5 HB2 ALA 5 11.133 6.236 2.465
50 HB3 ALA 5 HB3 ALA 5 12.281 6.060 1.127
51 H TYR 6 H TYR 6 11.465 4.529 -0.729
52 HA TYR 6 HA TYR 6 8.707 5.151 -1.098
53 HB2 TYR 6 HB2 TYR 6 10.929 4.890 -3.094
54 HB3 TYR 6 HB3 TYR 6 9.259 5.049 -3.604
55 HD1 TYR 6 HD1 TYR 6 11.956 6.777 -1.736
56 HD2 TYR 6 HD2 TYR 6 8.124 7.069 -3.549
57 HE1 TYR 6 HE1 TYR 6 12.034 9.230 -1.502
58 HE2 TYR 6 HE2 TYR 6 8.190 9.498 -3.329
59 HH TYR 6 HH TYR 6 10.992 11.175 -2.616
60 H ASN 7 H ASN 7 10.398 2.299 -1.002
61 HA ASN 7 HA ASN 7 8.496 0.763 -2.539
62 HB2 ASN 7 HB2 ASN 7 10.690 -0.169 -2.421
63 HB3 ASN 7 HB3 ASN 7 10.731 -0.028 -0.670
64 HD21 ASN 7 HD21 ASN 7 9.690 -1.979 -3.376
65 HD22 ASN 7 HD22 ASN 7 9.109 -3.281 -2.411
66 H MET 8 H MET 8 9.333 0.825 0.889
67 HA MET 8 HA MET 8 6.800 -0.348 1.458
68 HB2 MET 8 HB2 MET 8 8.611 -1.169 2.780
69 HB3 MET 8 HB3 MET 8 9.013 0.435 3.338
70 HG2 MET 8 HG2 MET 8 7.843 -1.028 5.013
71 HG3 MET 8 HG3 MET 8 7.119 0.550 4.736
72 HE1 MET 8 HE1 MET 8 5.286 -3.248 2.822
73 HE2 MET 8 HE2 MET 8 6.794 -3.342 3.744
74 HE3 MET 8 HE3 MET 8 6.741 -2.471 2.205
75 H GLY 9 H GLY 9 8.200 2.764 2.498
76 HA2 GLY 9 HA2 GLY 9 5.876 3.512 3.939
77 HA3 GLY 9 HA3 GLY 9 7.193 4.569 3.482
78 H HIS 10 H HIS 10 7.004 4.342 0.731
79 HA HIS 10 HA HIS 10 4.863 6.179 0.187
80 HB2 HIS 10 HB2 HIS 10 7.015 6.181 -0.997
81 HB3 HIS 10 HB3 HIS 10 6.563 4.663 -1.800
82 HD1 HIS 10 HD1 HIS 10 5.216 8.159 -1.368
83 HD2 HIS 10 HD2 HIS 10 5.489 5.134 -4.160
84 HE1 HIS 10 HE1 HIS 10 4.071 9.033 -3.354
85 H TYR 11 H TYR 11 5.315 2.724 -0.613
86 HA TYR 11 HA TYR 11 2.791 2.572 -1.862
87 HB2 TYR 11 HB2 TYR 11 4.680 0.509 -0.864
88 HB3 TYR 11 HB3 TYR 11 3.043 0.045 -1.300
89 HD1 TYR 11 HD1 TYR 11 6.047 1.760 -2.652
90 HD2 TYR 11 HD2 TYR 11 2.506 -0.405 -3.475
91 HE1 TYR 11 HE1 TYR 11 6.721 1.593 -5.001
92 HE2 TYR 11 HE2 TYR 11 3.164 -0.599 -5.851
93 HH TYR 11 HH TYR 11 4.613 0.473 -7.452
94 H ALA 12 H ALA 12 3.821 2.029 1.463
95 HA ALA 12 HA ALA 12 1.476 0.933 2.466
96 HB1 ALA 12 HB1 ALA 12 3.308 2.898 3.857
97 HB2 ALA 12 HB2 ALA 12 3.544 1.154 3.779
98 HB3 ALA 12 HB3 ALA 12 2.153 1.817 4.641
99 H GLY 13 H GLY 13 2.358 4.296 2.001
100 HA2 GLY 13 HA2 GLY 13 0.018 5.455 3.026
101 HA3 GLY 13 HA3 GLY 13 1.074 6.185 1.830
102 H LYS 14 H LYS 14 0.833 4.434 -0.259
103 HA LYS 14 HA LYS 14 -1.675 5.421 -1.249
104 HB2 LYS 14 HB2 LYS 14 0.564 3.952 -2.596
105 HB3 LYS 14 HB3 LYS 14 -0.993 4.045 -3.384
106 HG2 LYS 14 HG2 LYS 14 0.269 5.757 -4.364
107 HG3 LYS 14 HG3 LYS 14 -0.731 6.599 -3.190
108 HD2 LYS 14 HD2 LYS 14 2.095 5.744 -2.597
109 HD3 LYS 14 HD3 LYS 14 1.750 7.253 -3.426
110 HE2 LYS 14 HE2 LYS 14 0.759 6.495 -0.668
111 HE3 LYS 14 HE3 LYS 14 2.139 7.530 -1.003
112 HZ1 LYS 14 HZ1 LYS 14 -0.643 8.119 -1.823
113 HZ2 LYS 14 HZ2 LYS 14 0.695 9.145 -1.976
114 HZ3 LYS 14 HZ3 LYS 14 0.120 8.738 -0.471
115 H ALA 15 H ALA 15 -0.415 2.300 -0.355
116 HA ALA 15 HA ALA 15 -2.550 0.823 -1.418
117 HB1 ALA 15 HB1 ALA 15 -0.636 0.029 0.785
118 HB2 ALA 15 HB2 ALA 15 -0.396 -0.242 -0.939
119 HB3 ALA 15 HB3 ALA 15 -1.726 -1.044 -0.089
120 H THR 16 H THR 16 -2.013 2.370 1.656
121 HA THR 16 HA THR 16 -4.281 1.090 2.826
122 HB THR 16 HB THR 16 -2.928 3.594 3.854
123 HG1 THR 16 HG1 THR 16 -1.364 2.031 3.761
124 HG21 THR 16 HG21 THR 16 -3.801 2.795 6.027
125 HG22 THR 16 HG22 THR 16 -4.513 1.407 5.190
126 HG23 THR 16 HG23 THR 16 -5.113 3.030 4.858
127 H ILE 17 H ILE 17 -3.761 4.220 1.236
128 HA ILE 17 HA ILE 17 -6.499 4.846 1.758
129 HB ILE 17 HB ILE 17 -5.013 6.740 1.615
130 HG12 ILE 17 HG12 ILE 17 -6.937 6.693 -0.716
131 HG13 ILE 17 HG13 ILE 17 -7.333 7.093 0.950
132 HG21 ILE 17 HG21 ILE 17 -4.490 5.977 -1.254
133 HG22 ILE 17 HG22 ILE 17 -3.344 5.890 0.083
134 HG23 ILE 17 HG23 ILE 17 -3.942 7.457 -0.467
135 HD11 ILE 17 HD11 ILE 17 -5.893 9.080 0.786
136 HD12 ILE 17 HD12 ILE 17 -7.194 9.084 -0.395
137 HD13 ILE 17 HD13 ILE 17 -5.554 8.670 -0.895
138 H PHE 18 H PHE 18 -4.806 3.929 -1.235
139 HA PHE 18 HA PHE 18 -7.320 3.816 -2.594
140 HB2 PHE 18 HB2 PHE 18 -4.563 3.102 -3.532
141 HB3 PHE 18 HB3 PHE 18 -6.020 3.107 -4.542
142 HD1 PHE 18 HD1 PHE 18 -7.420 5.369 -4.215
143 HD2 PHE 18 HD2 PHE 18 -3.245 4.935 -3.713
144 HE1 PHE 18 HE1 PHE 18 -7.136 7.786 -4.660
145 HE2 PHE 18 HE2 PHE 18 -2.928 7.344 -4.148
146 HZ PHE 18 HZ PHE 18 -4.882 8.774 -4.621
147 H GLY 19 H GLY 19 -4.801 1.385 -2.068
148 HA2 GLY 19 HA2 GLY 19 -6.159 -0.851 -2.980
149 HA3 GLY 19 HA3 GLY 19 -4.875 -0.872 -1.785
150 H LEU 20 H LEU 20 -5.925 0.285 0.342
151 HA LEU 20 HA LEU 20 -7.592 -1.736 1.365
152 HB2 LEU 20 HB2 LEU 20 -6.050 0.148 2.483
153 HB3 LEU 20 HB3 LEU 20 -7.635 0.838 2.769
154 HG LEU 20 HG LEU 20 -8.211 -1.510 3.659
155 HD11 LEU 20 HD11 LEU 20 -5.227 -1.501 3.945
156 HD12 LEU 20 HD12 LEU 20 -6.165 -2.560 2.895
157 HD13 LEU 20 HD13 LEU 20 -6.324 -2.696 4.650
158 HD21 LEU 20 HD21 LEU 20 -7.468 -0.873 5.884
159 HD22 LEU 20 HD22 LEU 20 -8.197 0.472 5.001
160 HD23 LEU 20 HD23 LEU 20 -6.437 0.390 5.189
161 H ALA 21 H ALA 21 -8.358 1.412 -0.102
162 HA ALA 21 HA ALA 21 -11.040 1.528 0.798
163 HB1 ALA 21 HB1 ALA 21 -11.365 3.157 -0.998
164 HB2 ALA 21 HB2 ALA 21 -9.797 2.704 -1.678
165 HB3 ALA 21 HB3 ALA 21 -9.875 3.488 -0.110
166 H ALA 22 H ALA 22 -9.405 -0.164 -1.703
167 HA ALA 22 HA ALA 22 -11.668 -0.824 -3.242
168 HB1 ALA 22 HB1 ALA 22 -9.387 -1.057 -4.111
169 HB2 ALA 22 HB2 ALA 22 -10.294 -2.563 -4.238
170 HB3 ALA 22 HB3 ALA 22 -9.085 -2.370 -2.971
171 H TRP 23 H TRP 23 -10.246 -2.117 -0.354
172 HA TRP 23 HA TRP 23 -12.056 -4.379 -0.446
173 HB2 TRP 23 HB2 TRP 23 -9.474 -4.126 0.578
174 HB3 TRP 23 HB3 TRP 23 -10.509 -4.118 1.982
175 HD1 TRP 23 HD1 TRP 23 -10.426 -6.507 2.922
176 HE1 TRP 23 HE1 TRP 23 -10.958 -8.857 1.965
177 HE3 TRP 23 HE3 TRP 23 -11.053 -5.279 -2.012
178 HZ2 TRP 23 HZ2 TRP 23 -11.574 -10.004 -0.541
179 HZ3 TRP 23 HZ3 TRP 23 -11.624 -7.011 -3.602
180 HH2 TRP 23 HH2 TRP 23 -11.880 -9.348 -2.894
181 H ALA 24 H ALA 24 -11.534 -1.503 1.458
182 HA ALA 24 HA ALA 24 -13.691 -2.086 3.224
183 HB1 ALA 24 HB1 ALA 24 -11.788 -0.720 3.935
184 HB2 ALA 24 HB2 ALA 24 -13.302 0.147 4.140
185 HB3 ALA 24 HB3 ALA 24 -12.246 0.519 2.773
186 H LEU 25 H LEU 25 -13.299 0.424 0.723
187 HA LEU 25 HA LEU 25 -16.067 1.145 0.922
188 HB2 LEU 25 HB2 LEU 25 -13.784 2.257 -0.676
189 HB3 LEU 25 HB3 LEU 25 -15.428 2.801 -0.918
190 HG LEU 25 HG LEU 25 -15.444 3.538 1.494
191 HD11 LEU 25 HD11 LEU 25 -13.644 2.148 2.360
192 HD12 LEU 25 HD12 LEU 25 -13.323 3.859 2.639
193 HD13 LEU 25 HD13 LEU 25 -12.482 3.006 1.347
194 HD21 LEU 25 HD21 LEU 25 -13.379 4.770 -0.311
195 HD22 LEU 25 HD22 LEU 25 -14.105 5.548 1.092
196 HD23 LEU 25 HD23 LEU 25 -15.110 5.109 -0.292
197 H LEU 26 H LEU 26 -14.131 -0.725 -1.311
198 HA LEU 26 HA LEU 26 -16.212 -0.554 -3.349
199 HB2 LEU 26 HB2 LEU 26 -13.943 -0.102 -4.043
200 HB3 LEU 26 HB3 LEU 26 -13.437 -1.643 -3.387
201 HG LEU 26 HG LEU 26 -14.941 -2.726 -5.058
202 HD11 LEU 26 HD11 LEU 26 -15.444 -1.476 -7.103
203 HD12 LEU 26 HD12 LEU 26 -14.890 0.002 -6.320
204 HD13 LEU 26 HD13 LEU 26 -16.298 -0.860 -5.690
205 HD21 LEU 26 HD21 LEU 26 -13.271 -2.551 -6.879
206 HD22 LEU 26 HD22 LEU 26 -12.570 -2.829 -5.293
207 HD23 LEU 26 HD23 LEU 26 -12.511 -1.212 -6.007
208 H ALA 27 H ALA 27 -15.213 -2.654 -0.966
209 HA ALA 27 HA ALA 27 -16.381 -4.926 -2.415
210 HB1 ALA 27 HB1 ALA 27 -13.980 -5.146 -1.862
211 HB2 ALA 27 HB2 ALA 27 -14.981 -6.425 -1.191
212 HB3 ALA 27 HB3 ALA 27 -14.411 -5.113 -0.154
Start of MODEL 12
1 H1 ARG 1 HT1 ARG 1 -10.867 -8.317 4.020
2 H2 ARG 1 HT2 ARG 1 -12.106 -7.481 4.815
3 H3 ARG 1 HT3 ARG 1 -11.135 -6.684 3.705
4 HA ARG 1 HA ARG 1 -11.948 -7.939 1.913
5 HB2 ARG 1 HB2 ARG 1 -13.714 -9.256 3.988
6 HB3 ARG 1 HB3 ARG 1 -13.906 -9.430 2.255
7 HG2 ARG 1 HG2 ARG 1 -11.788 -10.555 2.091
8 HG3 ARG 1 HG3 ARG 1 -11.479 -10.257 3.810
9 HD2 ARG 1 HD2 ARG 1 -13.833 -11.809 2.767
10 HD3 ARG 1 HD3 ARG 1 -12.332 -12.561 3.305
11 HE ARG 1 HE ARG 1 -12.838 -11.349 5.483
12 HH11 ARG 1 HH11 ARG 1 -15.440 -12.456 3.347
13 HH12 ARG 1 HH12 ARG 1 -16.525 -12.741 4.628
14 HH21 ARG 1 HH21 ARG 1 -14.269 -11.799 7.159
15 HH22 ARG 1 HH22 ARG 1 -15.859 -12.331 6.903
16 H ASN 2 H ASN 2 -12.324 -5.715 1.607
17 HA ASN 2 HA ASN 2 -15.108 -5.047 1.640
18 HB2 ASN 2 HB2 ASN 2 -14.300 -4.352 3.933
19 HB3 ASN 2 HB3 ASN 2 -13.134 -3.302 3.152
20 HD21 ASN 2 HD21 ASN 2 -15.390 -2.801 4.989
21 HD22 ASN 2 HD22 ASN 2 -16.325 -1.569 4.242
22 H LYS 3 H LYS 3 -15.416 -4.118 -0.313
23 HA LYS 3 HA LYS 3 -13.050 -3.070 -1.647
24 HB2 LYS 3 HB2 LYS 3 -14.651 -4.729 -2.758
25 HB3 LYS 3 HB3 LYS 3 -15.791 -3.396 -2.852
26 HG2 LYS 3 HG2 LYS 3 -13.622 -2.211 -3.901
27 HG3 LYS 3 HG3 LYS 3 -13.309 -3.883 -4.368
28 HD2 LYS 3 HD2 LYS 3 -14.521 -2.865 -6.144
29 HD3 LYS 3 HD3 LYS 3 -15.635 -3.938 -5.284
30 HE2 LYS 3 HE2 LYS 3 -16.575 -2.063 -4.079
31 HE3 LYS 3 HE3 LYS 3 -15.387 -0.997 -4.780
32 HZ1 LYS 3 HZ1 LYS 3 -17.514 -2.442 -6.261
33 HZ2 LYS 3 HZ2 LYS 3 -16.300 -1.569 -6.984
34 HZ3 LYS 3 HZ3 LYS 3 -17.427 -0.766 -6.027
35 H LEU 4 H LEU 4 -12.770 -1.081 -0.938
36 HA LEU 4 HA LEU 4 -14.956 0.875 -1.115
37 HB2 LEU 4 HB2 LEU 4 -14.944 -0.147 1.016
38 HB3 LEU 4 HB3 LEU 4 -13.264 0.282 1.312
39 HG LEU 4 HG LEU 4 -14.189 2.728 0.996
40 HD11 LEU 4 HD11 LEU 4 -16.489 2.987 1.748
41 HD12 LEU 4 HD12 LEU 4 -16.685 1.232 1.738
42 HD13 LEU 4 HD13 LEU 4 -16.373 2.092 0.234
43 HD21 LEU 4 HD21 LEU 4 -14.725 1.075 3.450
44 HD22 LEU 4 HD22 LEU 4 -14.673 2.838 3.412
45 HD23 LEU 4 HD23 LEU 4 -13.221 1.900 3.058
46 H ALA 5 H ALA 5 -14.135 3.067 -1.055
47 HA ALA 5 HA ALA 5 -11.811 3.449 -2.551
48 HB1 ALA 5 HB1 ALA 5 -13.297 5.455 -0.867
49 HB2 ALA 5 HB2 ALA 5 -13.699 5.011 -2.518
50 HB3 ALA 5 HB3 ALA 5 -12.175 5.841 -2.181
51 H TYR 6 H TYR 6 -12.392 3.595 0.848
52 HA TYR 6 HA TYR 6 -9.749 4.552 1.436
53 HB2 TYR 6 HB2 TYR 6 -11.874 3.474 3.275
54 HB3 TYR 6 HB3 TYR 6 -10.302 4.037 3.817
55 HD1 TYR 6 HD1 TYR 6 -13.534 5.092 2.424
56 HD2 TYR 6 HD2 TYR 6 -9.706 6.335 3.808
57 HE1 TYR 6 HE1 TYR 6 -14.325 7.408 2.527
58 HE2 TYR 6 HE2 TYR 6 -10.482 8.643 3.916
59 HH TYR 6 HH TYR 6 -13.803 9.477 3.639
60 H ASN 7 H ASN 7 -11.234 1.496 1.151
61 HA ASN 7 HA ASN 7 -9.067 0.155 2.481
62 HB2 ASN 7 HB2 ASN 7 -11.442 -0.757 2.365
63 HB3 ASN 7 HB3 ASN 7 -11.104 -1.167 0.690
64 HD21 ASN 7 HD21 ASN 7 -8.260 -1.980 1.331
65 HD22 ASN 7 HD22 ASN 7 -8.422 -3.496 2.122
66 H MET 8 H MET 8 -10.135 0.416 -0.880
67 HA MET 8 HA MET 8 -7.663 -0.772 -1.715
68 HB2 MET 8 HB2 MET 8 -9.754 -1.124 -3.016
69 HB3 MET 8 HB3 MET 8 -9.714 0.570 -3.465
70 HG2 MET 8 HG2 MET 8 -8.762 -0.365 -5.320
71 HG3 MET 8 HG3 MET 8 -7.335 -0.011 -4.359
72 HE1 MET 8 HE1 MET 8 -5.935 -1.882 -3.005
73 HE2 MET 8 HE2 MET 8 -6.257 -3.606 -3.131
74 HE3 MET 8 HE3 MET 8 -7.335 -2.594 -2.178
75 H GLY 9 H GLY 9 -9.029 2.485 -2.325
76 HA2 GLY 9 HA2 GLY 9 -6.654 3.429 -3.558
77 HA3 GLY 9 HA3 GLY 9 -8.045 4.377 -3.081
78 H HIS 10 H HIS 10 -8.004 3.984 -0.340
79 HA HIS 10 HA HIS 10 -6.003 5.936 0.375
80 HB2 HIS 10 HB2 HIS 10 -8.205 5.755 1.529
81 HB3 HIS 10 HB3 HIS 10 -7.667 4.242 2.253
82 HD1 HIS 10 HD1 HIS 10 -6.457 7.826 2.074
83 HD2 HIS 10 HD2 HIS 10 -6.668 4.632 4.696
84 HE1 HIS 10 HE1 HIS 10 -5.354 8.597 4.115
85 H TYR 11 H TYR 11 -6.244 2.455 0.861
86 HA TYR 11 HA TYR 11 -3.743 2.243 2.180
87 HB2 TYR 11 HB2 TYR 11 -5.554 0.331 0.857
88 HB3 TYR 11 HB3 TYR 11 -3.906 -0.183 1.184
89 HD1 TYR 11 HD1 TYR 11 -3.147 -0.490 3.427
90 HD2 TYR 11 HD2 TYR 11 -7.121 0.728 2.653
91 HE1 TYR 11 HE1 TYR 11 -3.726 -1.078 5.692
92 HE2 TYR 11 HE2 TYR 11 -7.758 0.144 4.969
93 HH TYR 11 HH TYR 11 -5.484 -0.501 7.369
94 H ALA 12 H ALA 12 -4.680 2.139 -1.223
95 HA ALA 12 HA ALA 12 -2.293 1.212 -2.286
96 HB1 ALA 12 HB1 ALA 12 -2.955 2.286 -4.363
97 HB2 ALA 12 HB2 ALA 12 -4.128 3.279 -3.488
98 HB3 ALA 12 HB3 ALA 12 -4.357 1.536 -3.590
99 H GLY 13 H GLY 13 -3.189 4.480 -1.360
100 HA2 GLY 13 HA2 GLY 13 -0.862 5.763 -2.294
101 HA3 GLY 13 HA3 GLY 13 -1.887 6.340 -0.983
102 H LYS 14 H LYS 14 -1.598 4.222 0.794
103 HA LYS 14 HA LYS 14 0.925 4.950 1.955
104 HB2 LYS 14 HB2 LYS 14 -1.346 3.218 2.875
105 HB3 LYS 14 HB3 LYS 14 0.185 3.178 3.721
106 HG2 LYS 14 HG2 LYS 14 -1.346 4.669 4.842
107 HG3 LYS 14 HG3 LYS 14 -0.017 5.597 4.153
108 HD2 LYS 14 HD2 LYS 14 -1.460 6.254 2.288
109 HD3 LYS 14 HD3 LYS 14 -2.785 5.322 2.969
110 HE2 LYS 14 HE2 LYS 14 -1.395 7.638 4.298
111 HE3 LYS 14 HE3 LYS 14 -2.979 7.704 3.523
112 HZ1 LYS 14 HZ1 LYS 14 -2.263 6.062 5.886
113 HZ2 LYS 14 HZ2 LYS 14 -3.785 6.129 5.197
114 HZ3 LYS 14 HZ3 LYS 14 -3.121 7.499 5.928
115 H ALA 15 H ALA 15 -0.393 2.075 0.497
116 HA ALA 15 HA ALA 15 1.804 0.413 1.109
117 HB1 ALA 15 HB1 ALA 15 0.871 -1.135 -0.480
118 HB2 ALA 15 HB2 ALA 15 -0.251 0.096 -1.072
119 HB3 ALA 15 HB3 ALA 15 -0.388 -0.510 0.587
120 H THR 16 H THR 16 1.178 2.602 -1.524
121 HA THR 16 HA THR 16 3.345 1.578 -3.046
122 HB THR 16 HB THR 16 2.085 4.318 -3.370
123 HG1 THR 16 HG1 THR 16 0.489 2.730 -3.610
124 HG21 THR 16 HG21 THR 16 4.220 4.018 -4.543
125 HG22 THR 16 HG22 THR 16 2.889 4.097 -5.705
126 HG23 THR 16 HG23 THR 16 3.616 2.542 -5.287
127 H ILE 17 H ILE 17 3.024 4.241 -0.709
128 HA ILE 17 HA ILE 17 5.777 4.872 -1.174
129 HB ILE 17 HB ILE 17 4.376 6.735 -0.540
130 HG12 ILE 17 HG12 ILE 17 5.699 7.696 1.356
131 HG13 ILE 17 HG13 ILE 17 6.394 6.101 1.615
132 HG21 ILE 17 HG21 ILE 17 3.423 7.018 1.709
133 HG22 ILE 17 HG22 ILE 17 3.889 5.355 2.085
134 HG23 ILE 17 HG23 ILE 17 2.706 5.674 0.818
135 HD11 ILE 17 HD11 ILE 17 6.667 7.754 -0.890
136 HD12 ILE 17 HD12 ILE 17 7.399 6.174 -0.601
137 HD13 ILE 17 HD13 ILE 17 7.890 7.569 0.365
138 H PHE 18 H PHE 18 4.089 3.355 1.566
139 HA PHE 18 HA PHE 18 6.585 2.785 2.844
140 HB2 PHE 18 HB2 PHE 18 3.787 1.978 3.598
141 HB3 PHE 18 HB3 PHE 18 5.231 1.685 4.561
142 HD1 PHE 18 HD1 PHE 18 6.743 4.001 4.560
143 HD2 PHE 18 HD2 PHE 18 2.506 3.686 4.468
144 HE1 PHE 18 HE1 PHE 18 6.558 6.247 5.584
145 HE2 PHE 18 HE2 PHE 18 2.306 5.919 5.487
146 HZ PHE 18 HZ PHE 18 4.344 7.205 6.037
147 H GLY 19 H GLY 19 4.039 0.806 1.439
148 HA2 GLY 19 HA2 GLY 19 5.229 -1.722 1.956
149 HA3 GLY 19 HA3 GLY 19 3.997 -1.366 0.748
150 H LEU 20 H LEU 20 5.050 0.142 -1.006
151 HA LEU 20 HA LEU 20 6.639 -1.561 -2.525
152 HB2 LEU 20 HB2 LEU 20 5.206 0.592 -3.086
153 HB3 LEU 20 HB3 LEU 20 6.805 1.317 -3.098
154 HG LEU 20 HG LEU 20 7.442 -0.588 -4.652
155 HD11 LEU 20 HD11 LEU 20 5.593 -1.501 -5.963
156 HD12 LEU 20 HD12 LEU 20 4.463 -0.589 -4.957
157 HD13 LEU 20 HD13 LEU 20 5.404 -1.895 -4.239
158 HD21 LEU 20 HD21 LEU 20 6.677 0.680 -6.592
159 HD22 LEU 20 HD22 LEU 20 7.278 1.748 -5.317
160 HD23 LEU 20 HD23 LEU 20 5.539 1.558 -5.564
161 H ALA 21 H ALA 21 7.581 1.027 -0.284
162 HA ALA 21 HA ALA 21 10.233 1.298 -1.084
163 HB1 ALA 21 HB1 ALA 21 9.043 1.605 1.676
164 HB2 ALA 21 HB2 ALA 21 9.166 2.875 0.459
165 HB3 ALA 21 HB3 ALA 21 10.625 2.184 1.171
166 H ALA 22 H ALA 22 8.616 -1.200 0.697
167 HA ALA 22 HA ALA 22 10.943 -2.297 1.880
168 HB1 ALA 22 HB1 ALA 22 8.319 -3.639 1.246
169 HB2 ALA 22 HB2 ALA 22 8.721 -2.804 2.754
170 HB3 ALA 22 HB3 ALA 22 9.579 -4.282 2.305
171 H TRP 23 H TRP 23 9.429 -2.586 -1.221
172 HA TRP 23 HA TRP 23 11.173 -4.790 -1.909
173 HB2 TRP 23 HB2 TRP 23 8.622 -4.074 -2.717
174 HB3 TRP 23 HB3 TRP 23 9.636 -3.709 -4.100
175 HD1 TRP 23 HD1 TRP 23 9.469 -5.706 -5.693
176 HE1 TRP 23 HE1 TRP 23 9.613 -8.284 -5.455
177 HE3 TRP 23 HE3 TRP 23 9.915 -6.023 -0.628
178 HZ2 TRP 23 HZ2 TRP 23 9.908 -10.163 -3.385
179 HZ3 TRP 23 HZ3 TRP 23 10.140 -8.202 0.413
180 HH2 TRP 23 HH2 TRP 23 10.143 -10.260 -0.939
181 H ALA 24 H ALA 24 10.693 -1.425 -2.715
182 HA ALA 24 HA ALA 24 12.791 -1.423 -4.638
183 HB1 ALA 24 HB1 ALA 24 12.462 0.959 -4.751
184 HB2 ALA 24 HB2 ALA 24 11.499 0.926 -3.274
185 HB3 ALA 24 HB3 ALA 24 10.898 0.143 -4.734
186 H LEU 25 H LEU 25 12.529 0.107 -1.450
187 HA LEU 25 HA LEU 25 15.313 0.817 -1.442
188 HB2 LEU 25 HB2 LEU 25 13.096 1.207 0.537
189 HB3 LEU 25 HB3 LEU 25 14.737 1.826 0.776
190 HG LEU 25 HG LEU 25 12.774 2.592 -1.386
191 HD11 LEU 25 HD11 LEU 25 13.785 4.109 1.009
192 HD12 LEU 25 HD12 LEU 25 12.153 3.494 0.777
193 HD13 LEU 25 HD13 LEU 25 12.768 4.779 -0.259
194 HD21 LEU 25 HD21 LEU 25 14.413 4.354 -1.963
195 HD22 LEU 25 HD22 LEU 25 15.015 2.734 -2.270
196 HD23 LEU 25 HD23 LEU 25 15.555 3.620 -0.838
197 H LEU 26 H LEU 26 13.325 -1.628 0.156
198 HA LEU 26 HA LEU 26 15.437 -2.210 2.062
199 HB2 LEU 26 HB2 LEU 26 13.135 -2.016 2.821
200 HB3 LEU 26 HB3 LEU 26 12.668 -3.309 1.736
201 HG LEU 26 HG LEU 26 14.202 -4.773 3.022
202 HD11 LEU 26 HD11 LEU 26 15.489 -3.091 4.148
203 HD12 LEU 26 HD12 LEU 26 14.679 -4.119 5.347
204 HD13 LEU 26 HD13 LEU 26 14.065 -2.503 5.006
205 HD21 LEU 26 HD21 LEU 26 11.747 -3.651 4.385
206 HD22 LEU 26 HD22 LEU 26 12.516 -5.185 4.783
207 HD23 LEU 26 HD23 LEU 26 11.800 -4.953 3.193
208 H ALA 27 H ALA 27 14.445 -3.349 -0.902
209 HA ALA 27 HA ALA 27 15.667 -5.960 -0.379
210 HB1 ALA 27 HB1 ALA 27 13.385 -6.073 -1.265
211 HB2 ALA 27 HB2 ALA 27 14.531 -6.804 -2.382
212 HB3 ALA 27 HB3 ALA 27 13.888 -5.195 -2.703
Start of MODEL 13
1 H1 ARG 1 HT1 ARG 1 -13.537 -9.703 1.942
2 H2 ARG 1 HT2 ARG 1 -12.458 -8.549 2.395
3 H3 ARG 1 HT3 ARG 1 -11.875 -10.087 2.137
4 HA ARG 1 HA ARG 1 -11.257 -8.662 0.343
5 HB2 ARG 1 HB2 ARG 1 -13.677 -10.231 -0.680
6 HB3 ARG 1 HB3 ARG 1 -12.327 -9.660 -1.637
7 HG2 ARG 1 HG2 ARG 1 -11.949 -11.959 -1.398
8 HG3 ARG 1 HG3 ARG 1 -10.881 -11.219 -0.206
9 HD2 ARG 1 HD2 ARG 1 -12.819 -11.500 1.404
10 HD3 ARG 1 HD3 ARG 1 -13.487 -12.648 0.242
11 HE ARG 1 HE ARG 1 -11.030 -13.589 0.613
12 HH11 ARG 1 HH11 ARG 1 -13.537 -12.541 2.895
13 HH12 ARG 1 HH12 ARG 1 -12.934 -13.434 4.201
14 HH21 ARG 1 HH21 ARG 1 -10.202 -14.833 2.388
15 HH22 ARG 1 HH22 ARG 1 -10.946 -14.758 3.909
16 H ASN 2 H ASN 2 -11.596 -6.552 0.090
17 HA ASN 2 HA ASN 2 -14.372 -5.687 -0.260
18 HB2 ASN 2 HB2 ASN 2 -12.368 -4.220 1.482
19 HB3 ASN 2 HB3 ASN 2 -14.019 -3.724 1.149
20 HD21 ASN 2 HD21 ASN 2 -15.729 -4.928 2.110
21 HD22 ASN 2 HD22 ASN 2 -15.425 -5.922 3.500
22 H LYS 3 H LYS 3 -14.207 -5.242 -2.388
23 HA LYS 3 HA LYS 3 -12.054 -3.607 -3.367
24 HB2 LYS 3 HB2 LYS 3 -13.245 -5.254 -4.809
25 HB3 LYS 3 HB3 LYS 3 -14.707 -4.291 -4.667
26 HG2 LYS 3 HG2 LYS 3 -12.929 -2.426 -5.527
27 HG3 LYS 3 HG3 LYS 3 -12.303 -3.866 -6.322
28 HD2 LYS 3 HD2 LYS 3 -13.858 -2.863 -7.814
29 HD3 LYS 3 HD3 LYS 3 -14.639 -4.302 -7.153
30 HE2 LYS 3 HE2 LYS 3 -15.763 -2.852 -5.457
31 HE3 LYS 3 HE3 LYS 3 -15.059 -1.461 -6.251
32 HZ1 LYS 3 HZ1 LYS 3 -17.320 -1.849 -6.958
33 HZ2 LYS 3 HZ2 LYS 3 -16.923 -3.388 -7.502
34 HZ3 LYS 3 HZ3 LYS 3 -16.290 -2.025 -8.270
35 H LEU 4 H LEU 4 -12.036 -1.690 -2.480
36 HA LEU 4 HA LEU 4 -14.314 0.090 -2.768
37 HB2 LEU 4 HB2 LEU 4 -14.550 -0.929 -0.516
38 HB3 LEU 4 HB3 LEU 4 -12.923 -0.408 -0.131
39 HG LEU 4 HG LEU 4 -13.693 1.950 -0.393
40 HD11 LEU 4 HD11 LEU 4 -16.095 2.414 -0.335
41 HD12 LEU 4 HD12 LEU 4 -16.412 0.691 -0.583
42 HD13 LEU 4 HD13 LEU 4 -15.595 1.625 -1.831
43 HD21 LEU 4 HD21 LEU 4 -14.931 2.017 1.739
44 HD22 LEU 4 HD22 LEU 4 -13.506 0.993 1.809
45 HD23 LEU 4 HD23 LEU 4 -15.104 0.266 1.671
46 H ALA 5 H ALA 5 -13.655 2.235 -2.736
47 HA ALA 5 HA ALA 5 -11.201 2.890 -3.786
48 HB1 ALA 5 HB1 ALA 5 -13.177 4.323 -3.945
49 HB2 ALA 5 HB2 ALA 5 -11.801 5.220 -3.319
50 HB3 ALA 5 HB3 ALA 5 -13.066 4.667 -2.222
51 H TYR 6 H TYR 6 -12.271 3.162 -0.508
52 HA TYR 6 HA TYR 6 -9.830 4.172 0.487
53 HB2 TYR 6 HB2 TYR 6 -12.132 2.913 1.903
54 HB3 TYR 6 HB3 TYR 6 -10.719 3.536 2.756
55 HD1 TYR 6 HD1 TYR 6 -10.161 5.936 2.599
56 HD2 TYR 6 HD2 TYR 6 -13.816 4.390 1.090
57 HE1 TYR 6 HE1 TYR 6 -11.084 8.209 2.549
58 HE2 TYR 6 HE2 TYR 6 -14.760 6.664 1.040
59 HH TYR 6 HH TYR 6 -14.378 8.850 2.120
60 H ASN 7 H ASN 7 -10.912 0.948 -0.020
61 HA ASN 7 HA ASN 7 -8.761 -0.120 1.575
62 HB2 ASN 7 HB2 ASN 7 -10.843 -1.472 1.275
63 HB3 ASN 7 HB3 ASN 7 -10.428 -1.655 -0.433
64 HD21 ASN 7 HD21 ASN 7 -10.213 -3.894 -0.261
65 HD22 ASN 7 HD22 ASN 7 -8.860 -4.625 0.546
66 H MET 8 H MET 8 -9.518 -0.037 -1.852
67 HA MET 8 HA MET 8 -6.923 -1.046 -2.463
68 HB2 MET 8 HB2 MET 8 -9.143 -0.145 -4.266
69 HB3 MET 8 HB3 MET 8 -7.597 -0.735 -4.849
70 HG2 MET 8 HG2 MET 8 -9.343 -2.370 -3.037
71 HG3 MET 8 HG3 MET 8 -9.565 -2.367 -4.775
72 HE1 MET 8 HE1 MET 8 -6.032 -4.343 -2.489
73 HE2 MET 8 HE2 MET 8 -7.279 -3.349 -1.733
74 HE3 MET 8 HE3 MET 8 -5.943 -2.610 -2.635
75 H GLY 9 H GLY 9 -8.508 2.051 -3.271
76 HA2 GLY 9 HA2 GLY 9 -6.125 3.038 -4.460
77 HA3 GLY 9 HA3 GLY 9 -7.578 3.959 -4.103
78 H HIS 10 H HIS 10 -7.672 3.556 -1.317
79 HA HIS 10 HA HIS 10 -5.831 5.610 -0.558
80 HB2 HIS 10 HB2 HIS 10 -8.075 5.382 0.414
81 HB3 HIS 10 HB3 HIS 10 -7.578 3.899 1.223
82 HD1 HIS 10 HD1 HIS 10 -5.953 7.309 0.999
83 HD2 HIS 10 HD2 HIS 10 -7.218 4.532 3.791
84 HE1 HIS 10 HE1 HIS 10 -5.238 8.205 3.183
85 H TYR 11 H TYR 11 -5.847 2.116 0.149
86 HA TYR 11 HA TYR 11 -3.402 2.308 1.634
87 HB2 TYR 11 HB2 TYR 11 -4.856 -0.005 0.466
88 HB3 TYR 11 HB3 TYR 11 -3.284 -0.214 1.204
89 HD1 TYR 11 HD1 TYR 11 -2.999 -0.106 3.595
90 HD2 TYR 11 HD2 TYR 11 -6.807 0.566 1.863
91 HE1 TYR 11 HE1 TYR 11 -4.049 -0.371 5.811
92 HE2 TYR 11 HE2 TYR 11 -7.872 0.309 4.077
93 HH TYR 11 HH TYR 11 -6.094 0.305 6.938
94 H ALA 12 H ALA 12 -4.163 1.846 -1.746
95 HA ALA 12 HA ALA 12 -1.800 0.684 -2.640
96 HB1 ALA 12 HB1 ALA 12 -3.765 0.997 -4.073
97 HB2 ALA 12 HB2 ALA 12 -2.292 1.600 -4.828
98 HB3 ALA 12 HB3 ALA 12 -3.445 2.730 -4.112
99 H GLY 13 H GLY 13 -2.552 4.082 -2.187
100 HA2 GLY 13 HA2 GLY 13 -0.086 5.051 -3.145
101 HA3 GLY 13 HA3 GLY 13 -1.156 5.909 -2.044
102 H LYS 14 H LYS 14 -1.145 4.129 0.097
103 HA LYS 14 HA LYS 14 1.276 5.119 1.274
104 HB2 LYS 14 HB2 LYS 14 -1.127 3.763 2.433
105 HB3 LYS 14 HB3 LYS 14 0.333 3.936 3.383
106 HG2 LYS 14 HG2 LYS 14 -1.203 5.753 3.905
107 HG3 LYS 14 HG3 LYS 14 0.224 6.371 3.089
108 HD2 LYS 14 HD2 LYS 14 -1.008 6.457 0.993
109 HD3 LYS 14 HD3 LYS 14 -2.453 5.854 1.799
110 HE2 LYS 14 HE2 LYS 14 -2.522 7.839 3.210
111 HE3 LYS 14 HE3 LYS 14 -1.009 8.403 2.497
112 HZ1 LYS 14 HZ1 LYS 14 -2.984 9.474 1.561
113 HZ2 LYS 14 HZ2 LYS 14 -3.501 7.998 0.949
114 HZ3 LYS 14 HZ3 LYS 14 -2.072 8.688 0.411
115 H ALA 15 H ALA 15 0.038 1.942 0.505
116 HA ALA 15 HA ALA 15 2.142 0.605 1.854
117 HB1 ALA 15 HB1 ALA 15 1.408 -1.399 0.697
118 HB2 ALA 15 HB2 ALA 15 0.371 -0.432 -0.355
119 HB3 ALA 15 HB3 ALA 15 0.027 -0.531 1.377
120 H THR 16 H THR 16 1.749 1.817 -1.373
121 HA THR 16 HA THR 16 4.054 0.474 -2.336
122 HB THR 16 HB THR 16 2.657 2.828 -3.625
123 HG1 THR 16 HG1 THR 16 1.081 1.382 -3.567
124 HG21 THR 16 HG21 THR 16 4.843 2.242 -4.582
125 HG22 THR 16 HG22 THR 16 3.533 1.802 -5.696
126 HG23 THR 16 HG23 THR 16 4.329 0.563 -4.723
127 H ILE 17 H ILE 17 3.426 3.775 -1.115
128 HA ILE 17 HA ILE 17 6.159 4.400 -1.650
129 HB ILE 17 HB ILE 17 4.576 6.272 -1.743
130 HG12 ILE 17 HG12 ILE 17 5.794 7.925 -0.295
131 HG13 ILE 17 HG13 ILE 17 6.608 6.570 0.467
132 HG21 ILE 17 HG21 ILE 17 3.580 7.260 0.262
133 HG22 ILE 17 HG22 ILE 17 4.161 5.896 1.210
134 HG23 ILE 17 HG23 ILE 17 2.973 5.640 -0.072
135 HD11 ILE 17 HD11 ILE 17 7.632 5.951 -1.643
136 HD12 ILE 17 HD12 ILE 17 8.003 7.623 -1.232
137 HD13 ILE 17 HD13 ILE 17 6.778 7.262 -2.453
138 H PHE 18 H PHE 18 4.370 3.825 1.377
139 HA PHE 18 HA PHE 18 6.785 3.981 2.914
140 HB2 PHE 18 HB2 PHE 18 4.015 3.177 3.766
141 HB3 PHE 18 HB3 PHE 18 5.381 3.513 4.835
142 HD1 PHE 18 HD1 PHE 18 6.585 5.837 3.818
143 HD2 PHE 18 HD2 PHE 18 2.469 4.858 3.975
144 HE1 PHE 18 HE1 PHE 18 6.027 8.248 3.854
145 HE2 PHE 18 HE2 PHE 18 1.887 7.260 4.006
146 HZ PHE 18 HZ PHE 18 3.674 8.954 3.949
147 H GLY 19 H GLY 19 4.420 1.392 2.431
148 HA2 GLY 19 HA2 GLY 19 5.842 -0.593 3.824
149 HA3 GLY 19 HA3 GLY 19 4.603 -0.903 2.616
150 H LEU 20 H LEU 20 5.591 -0.109 0.342
151 HA LEU 20 HA LEU 20 7.508 -2.031 -0.259
152 HB2 LEU 20 HB2 LEU 20 6.184 0.033 -1.808
153 HB3 LEU 20 HB3 LEU 20 7.794 -0.387 -2.390
154 HG LEU 20 HG LEU 20 7.073 -2.738 -2.283
155 HD11 LEU 20 HD11 LEU 20 4.670 -3.247 -2.419
156 HD12 LEU 20 HD12 LEU 20 4.303 -1.546 -2.216
157 HD13 LEU 20 HD13 LEU 20 5.066 -2.446 -0.892
158 HD21 LEU 20 HD21 LEU 20 5.797 -0.863 -4.236
159 HD22 LEU 20 HD22 LEU 20 5.923 -2.615 -4.464
160 HD23 LEU 20 HD23 LEU 20 7.386 -1.625 -4.298
161 H ALA 21 H ALA 21 7.973 1.242 0.639
162 HA ALA 21 HA ALA 21 10.658 1.499 -0.150
163 HB1 ALA 21 HB1 ALA 21 9.436 2.700 2.335
164 HB2 ALA 21 HB2 ALA 21 9.367 3.406 0.721
165 HB3 ALA 21 HB3 ALA 21 10.922 3.208 1.531
166 H ALA 22 H ALA 22 9.264 -0.373 2.436
167 HA ALA 22 HA ALA 22 11.739 -0.631 3.835
168 HB1 ALA 22 HB1 ALA 22 9.294 -2.385 3.984
169 HB2 ALA 22 HB2 ALA 22 9.607 -0.961 4.991
170 HB3 ALA 22 HB3 ALA 22 10.666 -2.377 5.092
171 H TRP 23 H TRP 23 10.147 -2.384 1.275
172 HA TRP 23 HA TRP 23 12.232 -4.382 1.449
173 HB2 TRP 23 HB2 TRP 23 9.571 -4.621 0.742
174 HB3 TRP 23 HB3 TRP 23 10.427 -4.691 -0.791
175 HD1 TRP 23 HD1 TRP 23 10.610 -7.182 -1.405
176 HE1 TRP 23 HE1 TRP 23 11.500 -9.314 -0.209
177 HE3 TRP 23 HE3 TRP 23 11.497 -5.232 3.244
178 HZ2 TRP 23 HZ2 TRP 23 12.459 -10.035 2.336
179 HZ3 TRP 23 HZ3 TRP 23 12.402 -6.678 4.974
180 HH2 TRP 23 HH2 TRP 23 12.876 -9.029 4.549
181 H ALA 24 H ALA 24 11.131 -1.942 -0.819
182 HA ALA 24 HA ALA 24 13.212 -2.487 -2.664
183 HB1 ALA 24 HB1 ALA 24 12.468 -0.484 -3.797
184 HB2 ALA 24 HB2 ALA 24 11.549 -0.004 -2.369
185 HB3 ALA 24 HB3 ALA 24 11.071 -1.436 -3.276
186 H LEU 25 H LEU 25 12.712 0.198 -0.389
187 HA LEU 25 HA LEU 25 15.282 1.322 -1.055
188 HB2 LEU 25 HB2 LEU 25 13.158 2.595 -0.673
189 HB3 LEU 25 HB3 LEU 25 13.357 2.271 1.016
190 HG LEU 25 HG LEU 25 15.519 3.475 1.033
191 HD11 LEU 25 HD11 LEU 25 16.157 3.192 -1.310
192 HD12 LEU 25 HD12 LEU 25 16.111 4.898 -0.887
193 HD13 LEU 25 HD13 LEU 25 14.785 4.182 -1.800
194 HD21 LEU 25 HD21 LEU 25 13.455 4.642 1.660
195 HD22 LEU 25 HD22 LEU 25 13.193 5.069 -0.031
196 HD23 LEU 25 HD23 LEU 25 14.573 5.730 0.836
197 H LEU 26 H LEU 26 13.909 -0.409 1.671
198 HA LEU 26 HA LEU 26 16.184 0.223 3.353
199 HB2 LEU 26 HB2 LEU 26 13.952 0.339 4.314
200 HB3 LEU 26 HB3 LEU 26 13.669 -1.320 3.844
201 HG LEU 26 HG LEU 26 15.470 -1.994 5.384
202 HD11 LEU 26 HD11 LEU 26 16.116 -0.451 7.194
203 HD12 LEU 26 HD12 LEU 26 15.251 0.837 6.375
204 HD13 LEU 26 HD13 LEU 26 16.660 0.099 5.608
205 HD21 LEU 26 HD21 LEU 26 13.159 -2.290 5.986
206 HD22 LEU 26 HD22 LEU 26 13.050 -0.630 6.563
207 HD23 LEU 26 HD23 LEU 26 14.074 -1.794 7.407
208 H ALA 27 H ALA 27 15.240 -2.190 1.287
209 HA ALA 27 HA ALA 27 17.005 -4.122 2.625
210 HB1 ALA 27 HB1 ALA 27 15.967 -5.897 1.332
211 HB2 ALA 27 HB2 ALA 27 15.037 -4.712 0.420
212 HB3 ALA 27 HB3 ALA 27 14.726 -4.935 2.134
Start of MODEL 14
1 H1 ARG 1 HT1 ARG 1 -13.568 -9.934 4.358
2 H2 ARG 1 HT2 ARG 1 -14.470 -9.687 2.930
3 H3 ARG 1 HT3 ARG 1 -15.050 -9.124 4.399
4 HA ARG 1 HA ARG 1 -13.338 -7.520 4.558
5 HB2 ARG 1 HB2 ARG 1 -12.475 -8.714 1.911
6 HB3 ARG 1 HB3 ARG 1 -11.902 -7.174 2.507
7 HG2 ARG 1 HG2 ARG 1 -10.826 -8.250 4.368
8 HG3 ARG 1 HG3 ARG 1 -11.492 -9.810 3.889
9 HD2 ARG 1 HD2 ARG 1 -10.254 -9.752 1.824
10 HD3 ARG 1 HD3 ARG 1 -9.639 -8.142 2.188
11 HE ARG 1 HE ARG 1 -8.775 -9.490 4.289
12 HH11 ARG 1 HH11 ARG 1 -8.713 -10.489 0.884
13 HH12 ARG 1 HH12 ARG 1 -7.218 -11.273 0.963
14 HH21 ARG 1 HH21 ARG 1 -6.678 -10.567 4.402
15 HH22 ARG 1 HH22 ARG 1 -6.008 -11.316 3.035
16 H ASN 2 H ASN 2 -13.325 -5.532 3.075
17 HA ASN 2 HA ASN 2 -15.430 -5.541 1.108
18 HB2 ASN 2 HB2 ASN 2 -16.554 -3.577 2.045
19 HB3 ASN 2 HB3 ASN 2 -16.578 -4.879 3.223
20 HD21 ASN 2 HD21 ASN 2 -15.429 -1.679 2.448
21 HD22 ASN 2 HD22 ASN 2 -14.808 -1.326 4.018
22 H LYS 3 H LYS 3 -15.419 -3.109 0.225
23 HA LYS 3 HA LYS 3 -12.572 -2.406 0.015
24 HB2 LYS 3 HB2 LYS 3 -13.630 -3.426 -2.048
25 HB3 LYS 3 HB3 LYS 3 -14.705 -2.046 -2.091
26 HG2 LYS 3 HG2 LYS 3 -12.482 -0.654 -2.120
27 HG3 LYS 3 HG3 LYS 3 -11.755 -2.173 -2.647
28 HD2 LYS 3 HD2 LYS 3 -12.317 -0.902 -4.567
29 HD3 LYS 3 HD3 LYS 3 -13.469 -2.237 -4.455
30 HE2 LYS 3 HE2 LYS 3 -15.093 -0.719 -3.344
31 HE3 LYS 3 HE3 LYS 3 -13.955 0.590 -3.493
32 HZ1 LYS 3 HZ1 LYS 3 -14.122 0.358 -5.935
33 HZ2 LYS 3 HZ2 LYS 3 -15.596 0.695 -5.216
34 HZ3 LYS 3 HZ3 LYS 3 -15.278 -0.856 -5.730
35 H LEU 4 H LEU 4 -12.267 -0.094 -0.433
36 HA LEU 4 HA LEU 4 -14.382 1.812 -0.062
37 HB2 LEU 4 HB2 LEU 4 -13.797 0.838 2.163
38 HB3 LEU 4 HB3 LEU 4 -12.193 1.532 2.008
39 HG LEU 4 HG LEU 4 -13.340 3.772 1.797
40 HD11 LEU 4 HD11 LEU 4 -15.576 2.992 1.289
41 HD12 LEU 4 HD12 LEU 4 -15.578 3.961 2.769
42 HD13 LEU 4 HD13 LEU 4 -15.670 2.205 2.869
43 HD21 LEU 4 HD21 LEU 4 -12.163 3.102 3.798
44 HD22 LEU 4 HD22 LEU 4 -13.601 2.272 4.391
45 HD23 LEU 4 HD23 LEU 4 -13.605 4.025 4.221
46 H ALA 5 H ALA 5 -13.416 3.970 -0.416
47 HA ALA 5 HA ALA 5 -11.371 3.802 -2.362
48 HB1 ALA 5 HB1 ALA 5 -12.438 6.316 -1.088
49 HB2 ALA 5 HB2 ALA 5 -13.216 5.476 -2.416
50 HB3 ALA 5 HB3 ALA 5 -11.610 6.182 -2.640
51 H TYR 6 H TYR 6 -11.436 4.888 0.907
52 HA TYR 6 HA TYR 6 -8.663 5.556 0.855
53 HB2 TYR 6 HB2 TYR 6 -10.538 5.259 3.190
54 HB3 TYR 6 HB3 TYR 6 -8.830 5.616 3.407
55 HD1 TYR 6 HD1 TYR 6 -12.036 6.877 2.424
56 HD2 TYR 6 HD2 TYR 6 -7.911 7.763 2.585
57 HE1 TYR 6 HE1 TYR 6 -12.551 9.241 2.066
58 HE2 TYR 6 HE2 TYR 6 -8.395 10.152 2.229
59 HH TYR 6 HH TYR 6 -11.508 11.407 2.513
60 H ASN 7 H ASN 7 -10.346 2.730 1.214
61 HA ASN 7 HA ASN 7 -8.235 1.236 2.473
62 HB2 ASN 7 HB2 ASN 7 -10.473 0.332 2.740
63 HB3 ASN 7 HB3 ASN 7 -10.724 0.319 1.008
64 HD21 ASN 7 HD21 ASN 7 -9.067 -1.211 3.644
65 HD22 ASN 7 HD22 ASN 7 -8.696 -2.681 2.835
66 H MET 8 H MET 8 -9.595 1.235 -0.766
67 HA MET 8 HA MET 8 -7.389 -0.288 -1.717
68 HB2 MET 8 HB2 MET 8 -9.672 -0.597 -2.610
69 HB3 MET 8 HB3 MET 8 -9.611 1.011 -3.288
70 HG2 MET 8 HG2 MET 8 -9.180 -0.313 -5.116
71 HG3 MET 8 HG3 MET 8 -7.565 0.152 -4.613
72 HE1 MET 8 HE1 MET 8 -6.200 -3.273 -3.109
73 HE2 MET 8 HE2 MET 8 -7.061 -2.149 -2.087
74 HE3 MET 8 HE3 MET 8 -5.896 -1.539 -3.271
75 H GLY 9 H GLY 9 -8.590 2.943 -2.605
76 HA2 GLY 9 HA2 GLY 9 -6.438 3.482 -4.335
77 HA3 GLY 9 HA3 GLY 9 -7.624 4.643 -3.746
78 H HIS 10 H HIS 10 -7.087 4.481 -1.029
79 HA HIS 10 HA HIS 10 -4.847 6.265 -0.902
80 HB2 HIS 10 HB2 HIS 10 -6.913 6.264 0.571
81 HB3 HIS 10 HB3 HIS 10 -6.174 4.935 1.463
82 HD1 HIS 10 HD1 HIS 10 -4.916 8.330 0.265
83 HD2 HIS 10 HD2 HIS 10 -5.124 5.989 3.688
84 HE1 HIS 10 HE1 HIS 10 -3.759 9.621 2.008
85 H TYR 11 H TYR 11 -5.293 2.866 0.107
86 HA TYR 11 HA TYR 11 -2.618 2.694 0.996
87 HB2 TYR 11 HB2 TYR 11 -4.726 0.631 0.564
88 HB3 TYR 11 HB3 TYR 11 -3.051 0.147 0.836
89 HD1 TYR 11 HD1 TYR 11 -6.022 1.578 2.328
90 HD2 TYR 11 HD2 TYR 11 -1.939 0.648 2.903
91 HE1 TYR 11 HE1 TYR 11 -6.291 1.902 4.787
92 HE2 TYR 11 HE2 TYR 11 -2.162 0.941 5.295
93 HH TYR 11 HH TYR 11 -5.227 1.304 6.818
94 H ALA 12 H ALA 12 -4.090 2.191 -2.119
95 HA ALA 12 HA ALA 12 -2.018 0.821 -3.360
96 HB1 ALA 12 HB1 ALA 12 -4.174 1.267 -4.432
97 HB2 ALA 12 HB2 ALA 12 -2.829 1.817 -5.437
98 HB3 ALA 12 HB3 ALA 12 -3.778 2.988 -4.511
99 H GLY 13 H GLY 13 -2.439 4.218 -2.663
100 HA2 GLY 13 HA2 GLY 13 -0.055 5.114 -3.968
101 HA3 GLY 13 HA3 GLY 13 -1.005 5.997 -2.770
102 H LYS 14 H LYS 14 -0.926 4.423 -0.658
103 HA LYS 14 HA LYS 14 1.469 5.209 0.495
104 HB2 LYS 14 HB2 LYS 14 -0.696 3.465 1.518
105 HB3 LYS 14 HB3 LYS 14 0.651 4.050 2.501
106 HG2 LYS 14 HG2 LYS 14 0.032 6.248 2.315
107 HG3 LYS 14 HG3 LYS 14 -0.944 5.957 0.879
108 HD2 LYS 14 HD2 LYS 14 -2.583 6.123 2.301
109 HD3 LYS 14 HD3 LYS 14 -2.172 4.429 2.597
110 HE2 LYS 14 HE2 LYS 14 -1.156 6.756 4.215
111 HE3 LYS 14 HE3 LYS 14 -2.519 5.753 4.698
112 HZ1 LYS 14 HZ1 LYS 14 -0.991 3.856 4.811
113 HZ2 LYS 14 HZ2 LYS 14 -0.491 5.121 5.808
114 HZ3 LYS 14 HZ3 LYS 14 0.297 4.849 4.375
115 H ALA 15 H ALA 15 0.380 2.038 -0.564
116 HA ALA 15 HA ALA 15 2.632 0.686 0.524
117 HB1 ALA 15 HB1 ALA 15 0.742 -0.208 -1.653
118 HB2 ALA 15 HB2 ALA 15 0.549 -0.503 0.075
119 HB3 ALA 15 HB3 ALA 15 1.909 -1.218 -0.801
120 H THR 16 H THR 16 2.000 2.359 -2.425
121 HA THR 16 HA THR 16 4.285 1.295 -3.744
122 HB THR 16 HB THR 16 2.718 3.784 -4.485
123 HG1 THR 16 HG1 THR 16 1.269 2.141 -4.658
124 HG21 THR 16 HG21 THR 16 4.519 1.955 -6.060
125 HG22 THR 16 HG22 THR 16 4.933 3.595 -5.551
126 HG23 THR 16 HG23 THR 16 3.645 3.337 -6.733
127 H ILE 17 H ILE 17 3.591 4.271 -1.936
128 HA ILE 17 HA ILE 17 6.265 5.158 -2.410
129 HB ILE 17 HB ILE 17 4.602 6.897 -2.144
130 HG12 ILE 17 HG12 ILE 17 5.619 8.300 -0.358
131 HG13 ILE 17 HG13 ILE 17 6.519 6.889 0.186
132 HG21 ILE 17 HG21 ILE 17 3.459 7.370 -0.027
133 HG22 ILE 17 HG22 ILE 17 4.088 5.852 0.620
134 HG23 ILE 17 HG23 ILE 17 2.996 5.839 -0.762
135 HD11 ILE 17 HD11 ILE 17 7.675 6.793 -1.947
136 HD12 ILE 17 HD12 ILE 17 7.876 8.379 -1.202
137 HD13 ILE 17 HD13 ILE 17 6.736 8.163 -2.535
138 H PHE 18 H PHE 18 4.621 3.955 0.525
139 HA PHE 18 HA PHE 18 7.104 3.926 1.960
140 HB2 PHE 18 HB2 PHE 18 4.400 2.883 2.757
141 HB3 PHE 18 HB3 PHE 18 5.809 3.018 3.810
142 HD1 PHE 18 HD1 PHE 18 2.813 4.533 3.136
143 HD2 PHE 18 HD2 PHE 18 6.936 5.464 3.490
144 HE1 PHE 18 HE1 PHE 18 2.232 6.849 3.682
145 HE2 PHE 18 HE2 PHE 18 6.368 7.796 4.041
146 HZ PHE 18 HZ PHE 18 4.002 8.493 4.134
147 H GLY 19 H GLY 19 4.799 1.376 1.123
148 HA2 GLY 19 HA2 GLY 19 6.294 -0.784 2.049
149 HA3 GLY 19 HA3 GLY 19 5.042 -0.886 0.823
150 H LEU 20 H LEU 20 5.977 0.346 -1.275
151 HA LEU 20 HA LEU 20 7.950 -1.353 -2.247
152 HB2 LEU 20 HB2 LEU 20 6.497 0.902 -3.318
153 HB3 LEU 20 HB3 LEU 20 8.141 0.721 -3.959
154 HG LEU 20 HG LEU 20 7.569 -1.634 -4.377
155 HD11 LEU 20 HD11 LEU 20 4.732 -0.641 -4.090
156 HD12 LEU 20 HD12 LEU 20 5.520 -1.788 -3.002
157 HD13 LEU 20 HD13 LEU 20 5.188 -2.240 -4.676
158 HD21 LEU 20 HD21 LEU 20 6.115 0.489 -5.898
159 HD22 LEU 20 HD22 LEU 20 6.432 -1.147 -6.503
160 HD23 LEU 20 HD23 LEU 20 7.777 -0.052 -6.139
161 H ALA 21 H ALA 21 8.343 1.776 -0.753
162 HA ALA 21 HA ALA 21 11.006 2.148 -1.557
163 HB1 ALA 21 HB1 ALA 21 9.716 3.937 -0.494
164 HB2 ALA 21 HB2 ALA 21 11.231 3.648 0.385
165 HB3 ALA 21 HB3 ALA 21 9.708 3.033 1.015
166 H ALA 22 H ALA 22 9.586 0.198 0.911
167 HA ALA 22 HA ALA 22 12.076 -0.487 2.194
168 HB1 ALA 22 HB1 ALA 22 9.446 -1.955 2.270
169 HB2 ALA 22 HB2 ALA 22 9.908 -0.656 3.368
170 HB3 ALA 22 HB3 ALA 22 10.815 -2.179 3.358
171 H TRP 23 H TRP 23 10.299 -1.758 -0.484
172 HA TRP 23 HA TRP 23 12.096 -4.019 -0.486
173 HB2 TRP 23 HB2 TRP 23 9.480 -3.793 -1.308
174 HB3 TRP 23 HB3 TRP 23 10.393 -3.741 -2.812
175 HD1 TRP 23 HD1 TRP 23 10.392 -6.105 -3.835
176 HE1 TRP 23 HE1 TRP 23 10.877 -8.470 -2.951
177 HE3 TRP 23 HE3 TRP 23 11.000 -5.017 1.130
178 HZ2 TRP 23 HZ2 TRP 23 11.453 -9.708 -0.485
179 HZ3 TRP 23 HZ3 TRP 23 11.539 -6.819 2.671
180 HH2 TRP 23 HH2 TRP 23 11.760 -9.141 1.883
181 H ALA 24 H ALA 24 11.471 -1.186 -2.463
182 HA ALA 24 HA ALA 24 13.523 -1.859 -4.305
183 HB1 ALA 24 HB1 ALA 24 13.111 0.252 -5.320
184 HB2 ALA 24 HB2 ALA 24 12.229 0.818 -3.903
185 HB3 ALA 24 HB3 ALA 24 11.566 -0.485 -4.896
186 H LEU 25 H LEU 25 13.331 0.575 -1.710
187 HA LEU 25 HA LEU 25 16.054 1.390 -2.144
188 HB2 LEU 25 HB2 LEU 25 13.870 2.318 -0.346
189 HB3 LEU 25 HB3 LEU 25 15.525 2.852 -0.053
190 HG LEU 25 HG LEU 25 15.473 3.835 -2.380
191 HD11 LEU 25 HD11 LEU 25 13.365 4.201 -3.464
192 HD12 LEU 25 HD12 LEU 25 12.533 3.264 -2.230
193 HD13 LEU 25 HD13 LEU 25 13.685 2.472 -3.313
194 HD21 LEU 25 HD21 LEU 25 15.144 5.211 -0.426
195 HD22 LEU 25 HD22 LEU 25 13.425 4.820 -0.414
196 HD23 LEU 25 HD23 LEU 25 14.108 5.761 -1.744
197 H LEU 26 H LEU 26 14.424 -0.694 0.170
198 HA LEU 26 HA LEU 26 16.703 -0.530 1.967
199 HB2 LEU 26 HB2 LEU 26 14.491 -0.228 2.913
200 HB3 LEU 26 HB3 LEU 26 13.999 -1.782 2.274
201 HG LEU 26 HG LEU 26 15.707 -2.817 3.719
202 HD11 LEU 26 HD11 LEU 26 16.446 -1.543 5.708
203 HD12 LEU 26 HD12 LEU 26 15.764 -0.084 4.979
204 HD13 LEU 26 HD13 LEU 26 17.102 -0.923 4.192
205 HD21 LEU 26 HD21 LEU 26 13.425 -1.347 5.025
206 HD22 LEU 26 HD22 LEU 26 14.302 -2.697 5.749
207 HD23 LEU 26 HD23 LEU 26 13.372 -2.946 4.282
208 H ALA 27 H ALA 27 15.388 -2.587 -0.287
209 HA ALA 27 HA ALA 27 16.723 -4.963 0.776
210 HB1 ALA 27 HB1 ALA 27 14.469 -5.206 -0.168
211 HB2 ALA 27 HB2 ALA 27 15.637 -6.231 -1.010
212 HB3 ALA 27 HB3 ALA 27 15.079 -4.725 -1.742
Start of MODEL 15
1 H1 ARG 1 HT1 ARG 1 12.023 11.198 4.031
2 H2 ARG 1 HT2 ARG 1 12.716 9.843 4.799
3 H3 ARG 1 HT3 ARG 1 11.323 9.678 3.880
4 HA ARG 1 HA ARG 1 12.363 10.042 1.907
5 HB2 ARG 1 HB2 ARG 1 14.892 10.401 3.537
6 HB3 ARG 1 HB3 ARG 1 14.826 10.320 1.784
7 HG2 ARG 1 HG2 ARG 1 13.427 12.342 1.769
8 HG3 ARG 1 HG3 ARG 1 13.612 12.450 3.522
9 HD2 ARG 1 HD2 ARG 1 16.038 12.602 3.227
10 HD3 ARG 1 HD3 ARG 1 15.825 12.529 1.480
11 HE ARG 1 HE ARG 1 14.815 14.683 3.202
12 HH11 ARG 1 HH11 ARG 1 15.880 13.602 0.036
13 HH12 ARG 1 HH12 ARG 1 16.281 15.150 -0.549
14 HH21 ARG 1 HH21 ARG 1 15.350 16.862 2.379
15 HH22 ARG 1 HH22 ARG 1 16.005 17.021 0.815
16 H ASN 2 H ASN 2 11.749 8.041 1.550
17 HA ASN 2 HA ASN 2 13.450 5.867 2.463
18 HB2 ASN 2 HB2 ASN 2 10.457 6.028 2.906
19 HB3 ASN 2 HB3 ASN 2 11.371 4.532 2.991
20 HD21 ASN 2 HD21 ASN 2 12.561 4.114 4.788
21 HD22 ASN 2 HD22 ASN 2 12.519 5.086 6.207
22 H LYS 3 H LYS 3 13.445 4.147 1.030
23 HA LYS 3 HA LYS 3 11.486 3.950 -1.037
24 HB2 LYS 3 HB2 LYS 3 13.351 5.492 -1.889
25 HB3 LYS 3 HB3 LYS 3 14.419 4.104 -1.739
26 HG2 LYS 3 HG2 LYS 3 12.467 2.948 -3.112
27 HG3 LYS 3 HG3 LYS 3 12.206 4.618 -3.608
28 HD2 LYS 3 HD2 LYS 3 13.673 3.617 -5.232
29 HD3 LYS 3 HD3 LYS 3 14.653 4.686 -4.244
30 HE2 LYS 3 HE2 LYS 3 15.496 2.873 -2.943
31 HE3 LYS 3 HE3 LYS 3 14.356 1.754 -3.667
32 HZ1 LYS 3 HZ1 LYS 3 15.517 1.981 -5.764
33 HZ2 LYS 3 HZ2 LYS 3 16.573 1.536 -4.538
34 HZ3 LYS 3 HZ3 LYS 3 16.576 3.112 -5.093
35 H LEU 4 H LEU 4 11.076 1.814 -0.873
36 HA LEU 4 HA LEU 4 13.302 -0.054 -0.841
37 HB2 LEU 4 HB2 LEU 4 12.791 0.477 1.545
38 HB3 LEU 4 HB3 LEU 4 11.156 -0.107 1.300
39 HG LEU 4 HG LEU 4 12.185 -2.345 0.717
40 HD11 LEU 4 HD11 LEU 4 14.433 -2.781 1.534
41 HD12 LEU 4 HD12 LEU 4 14.623 -1.075 1.936
42 HD13 LEU 4 HD13 LEU 4 14.437 -1.567 0.256
43 HD21 LEU 4 HD21 LEU 4 12.616 -1.263 3.497
44 HD22 LEU 4 HD22 LEU 4 12.490 -2.969 3.059
45 HD23 LEU 4 HD23 LEU 4 11.104 -1.894 2.844
46 H ALA 5 H ALA 5 12.634 -2.128 -1.525
47 HA ALA 5 HA ALA 5 10.573 -2.205 -3.406
48 HB1 ALA 5 HB1 ALA 5 10.950 -4.618 -3.476
49 HB2 ALA 5 HB2 ALA 5 11.860 -4.517 -1.961
50 HB3 ALA 5 HB3 ALA 5 12.481 -3.741 -3.416
51 H TYR 6 H TYR 6 10.673 -3.143 -0.095
52 HA TYR 6 HA TYR 6 7.984 -4.126 -0.206
53 HB2 TYR 6 HB2 TYR 6 9.953 -4.012 2.057
54 HB3 TYR 6 HB3 TYR 6 8.277 -4.470 2.318
55 HD1 TYR 6 HD1 TYR 6 11.351 -5.418 0.446
56 HD2 TYR 6 HD2 TYR 6 7.502 -6.628 1.806
57 HE1 TYR 6 HE1 TYR 6 11.836 -7.731 -0.245
58 HE2 TYR 6 HE2 TYR 6 7.982 -8.938 1.132
59 HH TYR 6 HH TYR 6 11.108 -9.974 0.237
60 H ASN 7 H ASN 7 9.475 -1.193 0.618
61 HA ASN 7 HA ASN 7 7.204 -0.199 2.071
62 HB2 ASN 7 HB2 ASN 7 9.594 1.281 0.945
63 HB3 ASN 7 HB3 ASN 7 8.247 2.096 1.710
64 HD21 ASN 7 HD21 ASN 7 8.046 -0.159 3.717
65 HD22 ASN 7 HD22 ASN 7 9.299 0.178 4.823
66 H MET 8 H MET 8 8.549 0.516 -1.097
67 HA MET 8 HA MET 8 6.214 1.960 -1.826
68 HB2 MET 8 HB2 MET 8 8.383 2.605 -2.744
69 HB3 MET 8 HB3 MET 8 8.554 1.038 -3.499
70 HG2 MET 8 HG2 MET 8 7.959 2.356 -5.277
71 HG3 MET 8 HG3 MET 8 6.406 1.698 -4.794
72 HE1 MET 8 HE1 MET 8 5.662 3.761 -2.194
73 HE2 MET 8 HE2 MET 8 4.571 3.123 -3.421
74 HE3 MET 8 HE3 MET 8 4.664 4.861 -3.145
75 H GLY 9 H GLY 9 7.644 -1.042 -3.082
76 HA2 GLY 9 HA2 GLY 9 5.495 -1.487 -4.891
77 HA3 GLY 9 HA3 GLY 9 6.807 -2.595 -4.536
78 H HIS 10 H HIS 10 6.352 -2.977 -1.814
79 HA HIS 10 HA HIS 10 4.316 -4.979 -2.081
80 HB2 HIS 10 HB2 HIS 10 6.415 -5.119 -0.690
81 HB3 HIS 10 HB3 HIS 10 5.602 -4.097 0.502
82 HD1 HIS 10 HD1 HIS 10 4.570 -7.206 -1.435
83 HD2 HIS 10 HD2 HIS 10 4.731 -5.687 2.406
84 HE1 HIS 10 HE1 HIS 10 3.727 -9.012 0.002
85 H TYR 11 H TYR 11 4.476 -1.858 -0.423
86 HA TYR 11 HA TYR 11 1.855 -2.045 0.594
87 HB2 TYR 11 HB2 TYR 11 3.731 0.263 0.338
88 HB3 TYR 11 HB3 TYR 11 2.036 0.540 0.736
89 HD1 TYR 11 HD1 TYR 11 5.209 -0.693 1.904
90 HD2 TYR 11 HD2 TYR 11 1.090 -0.348 2.764
91 HE1 TYR 11 HE1 TYR 11 5.667 -1.231 4.297
92 HE2 TYR 11 HE2 TYR 11 1.492 -0.860 5.110
93 HH TYR 11 HH TYR 11 3.095 -1.933 6.463
94 H ALA 12 H ALA 12 3.061 -1.044 -2.499
95 HA ALA 12 HA ALA 12 0.800 0.306 -3.406
96 HB1 ALA 12 HB1 ALA 12 2.888 0.213 -4.698
97 HB2 ALA 12 HB2 ALA 12 1.530 -0.332 -5.678
98 HB3 ALA 12 HB3 ALA 12 2.643 -1.504 -4.977
99 H GLY 13 H GLY 13 1.504 -3.113 -3.167
100 HA2 GLY 13 HA2 GLY 13 -0.944 -3.980 -4.395
101 HA3 GLY 13 HA3 GLY 13 0.164 -4.984 -3.470
102 H LYS 14 H LYS 14 0.221 -3.689 -1.062
103 HA LYS 14 HA LYS 14 -2.101 -4.695 0.138
104 HB2 LYS 14 HB2 LYS 14 0.255 -3.238 1.188
105 HB3 LYS 14 HB3 LYS 14 -1.187 -3.269 2.189
106 HG2 LYS 14 HG2 LYS 14 0.288 -5.081 2.821
107 HG3 LYS 14 HG3 LYS 14 -1.178 -5.728 2.093
108 HD2 LYS 14 HD2 LYS 14 0.097 -5.929 -0.040
109 HD3 LYS 14 HD3 LYS 14 1.552 -5.494 0.866
110 HE2 LYS 14 HE2 LYS 14 -0.256 -7.830 1.400
111 HE3 LYS 14 HE3 LYS 14 1.336 -7.918 0.650
112 HZ1 LYS 14 HZ1 LYS 14 0.780 -7.018 3.432
113 HZ2 LYS 14 HZ2 LYS 14 2.296 -7.115 2.748
114 HZ3 LYS 14 HZ3 LYS 14 1.390 -8.509 3.005
115 H ALA 15 H ALA 15 -1.256 -1.376 -0.610
116 HA ALA 15 HA ALA 15 -3.564 -0.359 0.660
117 HB1 ALA 15 HB1 ALA 15 -3.066 1.726 -0.483
118 HB2 ALA 15 HB2 ALA 15 -1.841 0.904 -1.464
119 HB3 ALA 15 HB3 ALA 15 -1.626 1.051 0.284
120 H THR 16 H THR 16 -2.948 -1.689 -2.470
121 HA THR 16 HA THR 16 -5.402 -0.699 -3.504
122 HB THR 16 HB THR 16 -3.663 -2.921 -4.621
123 HG1 THR 16 HG1 THR 16 -2.456 -1.119 -4.786
124 HG21 THR 16 HG21 THR 16 -5.980 -2.962 -5.465
125 HG22 THR 16 HG22 THR 16 -4.877 -2.393 -6.729
126 HG23 THR 16 HG23 THR 16 -5.864 -1.244 -5.813
127 H ILE 17 H ILE 17 -4.407 -3.755 -2.001
128 HA ILE 17 HA ILE 17 -7.075 -4.740 -2.384
129 HB ILE 17 HB ILE 17 -5.195 -6.321 -2.377
130 HG12 ILE 17 HG12 ILE 17 -7.457 -7.218 -1.766
131 HG13 ILE 17 HG13 ILE 17 -6.130 -8.175 -1.142
132 HG21 ILE 17 HG21 ILE 17 -4.778 -5.689 0.497
133 HG22 ILE 17 HG22 ILE 17 -3.706 -5.399 -0.870
134 HG23 ILE 17 HG23 ILE 17 -4.053 -7.059 -0.354
135 HD11 ILE 17 HD11 ILE 17 -7.963 -8.006 0.431
136 HD12 ILE 17 HD12 ILE 17 -7.831 -6.247 0.417
137 HD13 ILE 17 HD13 ILE 17 -6.519 -7.223 1.075
138 H PHE 18 H PHE 18 -5.298 -3.629 0.497
139 HA PHE 18 HA PHE 18 -7.681 -3.786 2.087
140 HB2 PHE 18 HB2 PHE 18 -4.970 -2.665 2.753
141 HB3 PHE 18 HB3 PHE 18 -6.295 -2.895 3.897
142 HD1 PHE 18 HD1 PHE 18 -7.351 -5.365 3.537
143 HD2 PHE 18 HD2 PHE 18 -3.327 -4.229 2.948
144 HE1 PHE 18 HE1 PHE 18 -6.651 -7.689 3.971
145 HE2 PHE 18 HE2 PHE 18 -2.599 -6.544 3.364
146 HZ PHE 18 HZ PHE 18 -4.262 -8.278 3.874
147 H GLY 19 H GLY 19 -5.611 -1.097 1.098
148 HA2 GLY 19 HA2 GLY 19 -7.113 0.971 2.263
149 HA3 GLY 19 HA3 GLY 19 -6.005 1.152 0.917
150 H LEU 20 H LEU 20 -7.037 -0.091 -1.089
151 HA LEU 20 HA LEU 20 -9.071 1.588 -1.976
152 HB2 LEU 20 HB2 LEU 20 -7.398 -0.143 -3.193
153 HB3 LEU 20 HB3 LEU 20 -8.903 -1.022 -3.321
154 HG LEU 20 HG LEU 20 -9.863 1.169 -4.239
155 HD11 LEU 20 HD11 LEU 20 -8.262 2.602 -5.378
156 HD12 LEU 20 HD12 LEU 20 -6.947 1.615 -4.735
157 HD13 LEU 20 HD13 LEU 20 -7.949 2.558 -3.635
158 HD21 LEU 20 HD21 LEU 20 -9.145 0.595 -6.505
159 HD22 LEU 20 HD22 LEU 20 -9.613 -0.827 -5.579
160 HD23 LEU 20 HD23 LEU 20 -7.898 -0.463 -5.841
161 H ALA 21 H ALA 21 -9.312 -1.568 -0.348
162 HA ALA 21 HA ALA 21 -11.976 -2.102 -0.973
163 HB1 ALA 21 HB1 ALA 21 -10.466 -3.742 0.061
164 HB2 ALA 21 HB2 ALA 21 -11.957 -3.547 0.987
165 HB3 ALA 21 HB3 ALA 21 -10.466 -2.785 1.541
166 H ALA 22 H ALA 22 -10.511 0.056 1.319
167 HA ALA 22 HA ALA 22 -12.842 0.534 2.891
168 HB1 ALA 22 HB1 ALA 22 -10.569 1.050 3.728
169 HB2 ALA 22 HB2 ALA 22 -11.628 2.462 3.770
170 HB3 ALA 22 HB3 ALA 22 -10.425 2.304 2.495
171 H TRP 23 H TRP 23 -11.592 1.816 -0.060
172 HA TRP 23 HA TRP 23 -13.612 3.874 -0.015
173 HB2 TRP 23 HB2 TRP 23 -11.077 3.704 -1.157
174 HB3 TRP 23 HB3 TRP 23 -12.184 3.677 -2.516
175 HD1 TRP 23 HD1 TRP 23 -12.673 6.068 -3.380
176 HE1 TRP 23 HE1 TRP 23 -12.951 8.388 -2.307
177 HE3 TRP 23 HE3 TRP 23 -11.847 4.800 1.485
178 HZ2 TRP 23 HZ2 TRP 23 -12.829 9.529 0.279
179 HZ3 TRP 23 HZ3 TRP 23 -11.946 6.542 3.204
180 HH2 TRP 23 HH2 TRP 23 -12.433 8.869 2.609
181 H ALA 24 H ALA 24 -12.895 0.938 -1.794
182 HA ALA 24 HA ALA 24 -15.127 1.204 -3.544
183 HB1 ALA 24 HB1 ALA 24 -13.440 -1.209 -2.935
184 HB2 ALA 24 HB2 ALA 24 -13.105 -0.007 -4.184
185 HB3 ALA 24 HB3 ALA 24 -14.536 -1.033 -4.306
186 H LEU 25 H LEU 25 -14.452 -1.028 -0.873
187 HA LEU 25 HA LEU 25 -17.119 -2.065 -0.968
188 HB2 LEU 25 HB2 LEU 25 -14.676 -2.789 0.573
189 HB3 LEU 25 HB3 LEU 25 -16.247 -3.444 1.028
190 HG LEU 25 HG LEU 25 -15.099 -5.075 -0.259
191 HD11 LEU 25 HD11 LEU 25 -17.117 -3.768 -2.061
192 HD12 LEU 25 HD12 LEU 25 -17.443 -4.931 -0.781
193 HD13 LEU 25 HD13 LEU 25 -16.520 -5.417 -2.199
194 HD21 LEU 25 HD21 LEU 25 -14.642 -2.990 -2.387
195 HD22 LEU 25 HD22 LEU 25 -14.194 -4.693 -2.508
196 HD23 LEU 25 HD23 LEU 25 -13.410 -3.658 -1.320
197 H LEU 26 H LEU 26 -15.493 0.276 1.015
198 HA LEU 26 HA LEU 26 -17.557 0.004 3.055
199 HB2 LEU 26 HB2 LEU 26 -15.336 -0.014 3.917
200 HB3 LEU 26 HB3 LEU 26 -14.913 1.429 3.027
201 HG LEU 26 HG LEU 26 -16.561 2.663 4.454
202 HD11 LEU 26 HD11 LEU 26 -16.434 0.165 6.128
203 HD12 LEU 26 HD12 LEU 26 -17.852 0.802 5.299
204 HD13 LEU 26 HD13 LEU 26 -17.125 1.707 6.630
205 HD21 LEU 26 HD21 LEU 26 -15.003 2.851 6.361
206 HD22 LEU 26 HD22 LEU 26 -14.184 2.899 4.807
207 HD23 LEU 26 HD23 LEU 26 -14.151 1.423 5.776
208 H ALA 27 H ALA 27 -16.560 2.054 0.603
209 HA ALA 27 HA ALA 27 -18.364 4.163 1.576
210 HB1 ALA 27 HB1 ALA 27 -16.037 4.880 1.310
211 HB2 ALA 27 HB2 ALA 27 -17.126 5.776 0.259
212 HB3 ALA 27 HB3 ALA 27 -16.118 4.493 -0.407
Start of MODEL 16
1 H1 ARG 1 HT1 ARG 1 14.377 -9.410 -2.575
2 H2 ARG 1 HT2 ARG 1 15.567 -9.405 -1.359
3 H3 ARG 1 HT3 ARG 1 14.839 -7.972 -1.823
4 HA ARG 1 HA ARG 1 12.768 -8.620 -0.953
5 HB2 ARG 1 HB2 ARG 1 13.585 -11.177 -1.300
6 HB3 ARG 1 HB3 ARG 1 14.052 -10.984 0.375
7 HG2 ARG 1 HG2 ARG 1 11.270 -10.626 -0.722
8 HG3 ARG 1 HG3 ARG 1 11.867 -12.045 0.128
9 HD2 ARG 1 HD2 ARG 1 11.639 -9.264 1.255
10 HD3 ARG 1 HD3 ARG 1 10.501 -10.577 1.544
11 HE ARG 1 HE ARG 1 13.280 -11.043 2.300
12 HH11 ARG 1 HH11 ARG 1 9.972 -10.282 3.350
13 HH12 ARG 1 HH12 ARG 1 10.338 -10.524 5.005
14 HH21 ARG 1 HH21 ARG 1 13.723 -11.379 4.561
15 HH22 ARG 1 HH22 ARG 1 12.466 -11.152 5.692
16 H ASN 2 H ASN 2 13.689 -6.684 -0.104
17 HA ASN 2 HA ASN 2 15.256 -7.014 2.370
18 HB2 ASN 2 HB2 ASN 2 15.360 -4.656 0.452
19 HB3 ASN 2 HB3 ASN 2 16.359 -4.897 1.870
20 HD21 ASN 2 HD21 ASN 2 18.328 -4.717 0.702
21 HD22 ASN 2 HD22 ASN 2 18.787 -5.906 -0.461
22 H LYS 3 H LYS 3 14.829 -5.260 3.894
23 HA LYS 3 HA LYS 3 12.063 -4.338 3.763
24 HB2 LYS 3 HB2 LYS 3 12.897 -5.383 5.841
25 HB3 LYS 3 HB3 LYS 3 14.112 -4.126 5.973
26 HG2 LYS 3 HG2 LYS 3 11.859 -2.625 5.757
27 HG3 LYS 3 HG3 LYS 3 11.227 -4.043 6.579
28 HD2 LYS 3 HD2 LYS 3 11.916 -2.461 8.236
29 HD3 LYS 3 HD3 LYS 3 13.058 -3.805 8.259
30 HE2 LYS 3 HE2 LYS 3 14.630 -2.483 6.894
31 HE3 LYS 3 HE3 LYS 3 13.478 -1.172 6.840
32 HZ1 LYS 3 HZ1 LYS 3 15.139 -0.791 8.536
33 HZ2 LYS 3 HZ2 LYS 3 14.745 -2.244 9.299
34 HZ3 LYS 3 HZ3 LYS 3 13.635 -0.996 9.255
35 H LEU 4 H LEU 4 11.808 -2.444 2.795
36 HA LEU 4 HA LEU 4 13.805 -0.374 3.309
37 HB2 LEU 4 HB2 LEU 4 14.212 -1.358 1.206
38 HB3 LEU 4 HB3 LEU 4 12.560 -1.135 0.668
39 HG LEU 4 HG LEU 4 12.999 1.376 0.866
40 HD11 LEU 4 HD11 LEU 4 15.292 2.129 0.807
41 HD12 LEU 4 HD12 LEU 4 15.859 0.474 1.004
42 HD13 LEU 4 HD13 LEU 4 14.955 1.255 2.300
43 HD21 LEU 4 HD21 LEU 4 14.117 1.497 -1.284
44 HD22 LEU 4 HD22 LEU 4 12.902 0.216 -1.269
45 HD23 LEU 4 HD23 LEU 4 14.618 -0.188 -1.126
46 H ALA 5 H ALA 5 12.978 1.675 3.483
47 HA ALA 5 HA ALA 5 10.381 1.961 4.465
48 HB1 ALA 5 HB1 ALA 5 12.206 4.130 3.453
49 HB2 ALA 5 HB2 ALA 5 12.225 3.445 5.083
50 HB3 ALA 5 HB3 ALA 5 10.816 4.347 4.521
51 H TYR 6 H TYR 6 11.667 2.476 1.325
52 HA TYR 6 HA TYR 6 9.319 3.715 0.296
53 HB2 TYR 6 HB2 TYR 6 11.630 2.402 -1.087
54 HB3 TYR 6 HB3 TYR 6 10.294 3.140 -1.959
55 HD1 TYR 6 HD1 TYR 6 9.932 5.568 -1.861
56 HD2 TYR 6 HD2 TYR 6 13.335 3.772 -0.050
57 HE1 TYR 6 HE1 TYR 6 11.035 7.756 -1.763
58 HE2 TYR 6 HE2 TYR 6 14.443 5.972 0.057
59 HH TYR 6 HH TYR 6 12.755 8.882 -0.546
60 H ASN 7 H ASN 7 10.351 0.476 0.684
61 HA ASN 7 HA ASN 7 8.377 -0.636 -1.090
62 HB2 ASN 7 HB2 ASN 7 10.313 -1.867 0.860
63 HB3 ASN 7 HB3 ASN 7 9.053 -2.835 0.104
64 HD21 ASN 7 HD21 ASN 7 9.116 -1.714 -2.467
65 HD22 ASN 7 HD22 ASN 7 10.606 -2.121 -3.213
66 H MET 8 H MET 8 8.887 -0.874 2.386
67 HA MET 8 HA MET 8 6.166 -1.673 2.688
68 HB2 MET 8 HB2 MET 8 7.792 -2.721 4.144
69 HB3 MET 8 HB3 MET 8 8.251 -1.169 4.807
70 HG2 MET 8 HG2 MET 8 6.763 -2.568 6.276
71 HG3 MET 8 HG3 MET 8 6.212 -0.924 5.961
72 HE1 MET 8 HE1 MET 8 5.925 -3.777 3.259
73 HE2 MET 8 HE2 MET 8 4.385 -4.516 3.666
74 HE3 MET 8 HE3 MET 8 5.771 -4.705 4.754
75 H GLY 9 H GLY 9 7.934 1.132 3.943
76 HA2 GLY 9 HA2 GLY 9 5.676 2.291 5.199
77 HA3 GLY 9 HA3 GLY 9 7.160 3.132 4.809
78 H HIS 10 H HIS 10 7.186 3.103 2.104
79 HA HIS 10 HA HIS 10 5.427 5.249 1.472
80 HB2 HIS 10 HB2 HIS 10 7.653 4.876 0.464
81 HB3 HIS 10 HB3 HIS 10 7.001 3.495 -0.411
82 HD1 HIS 10 HD1 HIS 10 5.435 6.941 -0.002
83 HD2 HIS 10 HD2 HIS 10 7.008 4.451 -2.926
84 HE1 HIS 10 HE1 HIS 10 5.000 8.073 -2.131
85 H TYR 11 H TYR 11 5.304 1.802 0.611
86 HA TYR 11 HA TYR 11 2.897 2.151 -0.832
87 HB2 TYR 11 HB2 TYR 11 4.433 -0.222 0.027
88 HB3 TYR 11 HB3 TYR 11 2.776 -0.425 -0.544
89 HD1 TYR 11 HD1 TYR 11 2.174 0.208 -2.804
90 HD2 TYR 11 HD2 TYR 11 6.179 0.320 -1.472
91 HE1 TYR 11 HE1 TYR 11 2.892 0.338 -5.119
92 HE2 TYR 11 HE2 TYR 11 6.964 0.448 -3.826
93 HH TYR 11 HH TYR 11 4.864 1.198 -6.332
94 H ALA 12 H ALA 12 3.616 1.257 2.477
95 HA ALA 12 HA ALA 12 1.124 0.274 3.213
96 HB1 ALA 12 HB1 ALA 12 3.073 0.159 4.684
97 HB2 ALA 12 HB2 ALA 12 1.704 0.909 5.515
98 HB3 ALA 12 HB3 ALA 12 3.021 1.909 4.894
99 H GLY 13 H GLY 13 2.228 3.562 2.913
100 HA2 GLY 13 HA2 GLY 13 -0.087 4.801 3.993
101 HA3 GLY 13 HA3 GLY 13 1.067 5.555 2.891
102 H LYS 14 H LYS 14 0.823 3.945 0.687
103 HA LYS 14 HA LYS 14 -1.570 5.062 -0.387
104 HB2 LYS 14 HB2 LYS 14 0.735 3.601 -1.594
105 HB3 LYS 14 HB3 LYS 14 -0.749 3.782 -2.516
106 HG2 LYS 14 HG2 LYS 14 0.870 5.545 -3.074
107 HG3 LYS 14 HG3 LYS 14 -0.586 6.201 -2.351
108 HD2 LYS 14 HD2 LYS 14 0.573 6.410 -0.205
109 HD3 LYS 14 HD3 LYS 14 2.034 5.734 -0.925
110 HE2 LYS 14 HE2 LYS 14 2.221 7.605 -2.428
111 HE3 LYS 14 HE3 LYS 14 0.665 8.243 -1.892
112 HZ1 LYS 14 HZ1 LYS 14 1.629 8.640 0.281
113 HZ2 LYS 14 HZ2 LYS 14 2.482 9.430 -0.913
114 HZ3 LYS 14 HZ3 LYS 14 3.126 8.052 -0.225
115 H ALA 15 H ALA 15 -0.514 1.819 0.359
116 HA ALA 15 HA ALA 15 -2.732 0.506 -0.784
117 HB1 ALA 15 HB1 ALA 15 -2.037 -1.435 0.515
118 HB2 ALA 15 HB2 ALA 15 -0.930 -0.419 1.453
119 HB3 ALA 15 HB3 ALA 15 -0.653 -0.669 -0.269
120 H THR 16 H THR 16 -2.233 2.021 2.301
121 HA THR 16 HA THR 16 -4.598 0.927 3.416
122 HB THR 16 HB THR 16 -3.001 3.325 4.329
123 HG1 THR 16 HG1 THR 16 -1.703 1.544 4.508
124 HG21 THR 16 HG21 THR 16 -4.085 2.941 6.487
125 HG22 THR 16 HG22 THR 16 -4.972 1.586 5.796
126 HG23 THR 16 HG23 THR 16 -5.314 3.228 5.242
127 H ILE 17 H ILE 17 -3.834 3.952 1.740
128 HA ILE 17 HA ILE 17 -6.510 4.786 2.212
129 HB ILE 17 HB ILE 17 -4.859 6.540 2.041
130 HG12 ILE 17 HG12 ILE 17 -5.914 8.034 0.380
131 HG13 ILE 17 HG13 ILE 17 -6.801 6.663 -0.267
132 HG21 ILE 17 HG21 ILE 17 -4.398 5.665 -0.789
133 HG22 ILE 17 HG22 ILE 17 -3.266 5.588 0.565
134 HG23 ILE 17 HG23 ILE 17 -3.773 7.150 -0.073
135 HD11 ILE 17 HD11 ILE 17 -7.938 6.383 1.890
136 HD12 ILE 17 HD12 ILE 17 -8.191 7.997 1.245
137 HD13 ILE 17 HD13 ILE 17 -7.014 7.733 2.541
138 H PHE 18 H PHE 18 -4.815 3.666 -0.715
139 HA PHE 18 HA PHE 18 -7.276 3.674 -2.183
140 HB2 PHE 18 HB2 PHE 18 -4.595 2.567 -2.981
141 HB3 PHE 18 HB3 PHE 18 -6.005 2.805 -4.015
142 HD1 PHE 18 HD1 PHE 18 -2.964 4.163 -3.380
143 HD2 PHE 18 HD2 PHE 18 -7.036 5.256 -3.562
144 HE1 PHE 18 HE1 PHE 18 -2.295 6.480 -3.859
145 HE2 PHE 18 HE2 PHE 18 -6.402 7.596 -4.049
146 HZ PHE 18 HZ PHE 18 -4.017 8.208 -4.199
147 H GLY 19 H GLY 19 -5.020 1.073 -1.369
148 HA2 GLY 19 HA2 GLY 19 -6.590 -1.037 -2.338
149 HA3 GLY 19 HA3 GLY 19 -5.302 -1.188 -1.146
150 H LEU 20 H LEU 20 -6.163 0.006 0.993
151 HA LEU 20 HA LEU 20 -8.162 -1.677 1.964
152 HB2 LEU 20 HB2 LEU 20 -6.743 0.609 3.111
153 HB3 LEU 20 HB3 LEU 20 -8.340 0.235 3.762
154 HG LEU 20 HG LEU 20 -7.553 -2.087 4.050
155 HD11 LEU 20 HD11 LEU 20 -4.784 -0.934 3.706
156 HD12 LEU 20 HD12 LEU 20 -5.593 -1.998 2.559
157 HD13 LEU 20 HD13 LEU 20 -5.188 -2.585 4.172
158 HD21 LEU 20 HD21 LEU 20 -6.217 0.076 5.625
159 HD22 LEU 20 HD22 LEU 20 -6.333 -1.612 6.151
160 HD23 LEU 20 HD23 LEU 20 -7.799 -0.647 5.907
161 H ALA 21 H ALA 21 -8.496 1.456 0.581
162 HA ALA 21 HA ALA 21 -11.230 1.793 1.345
163 HB1 ALA 21 HB1 ALA 21 -11.488 3.295 -0.535
164 HB2 ALA 21 HB2 ALA 21 -9.925 2.770 -1.199
165 HB3 ALA 21 HB3 ALA 21 -9.992 3.649 0.330
166 H ALA 22 H ALA 22 -9.705 0.012 -1.198
167 HA ALA 22 HA ALA 22 -12.158 -0.646 -2.549
168 HB1 ALA 22 HB1 ALA 22 -10.026 -0.587 -3.772
169 HB2 ALA 22 HB2 ALA 22 -10.790 -2.172 -3.884
170 HB3 ALA 22 HB3 ALA 22 -9.432 -1.921 -2.787
171 H TRP 23 H TRP 23 -10.212 -2.033 -0.088
172 HA TRP 23 HA TRP 23 -11.710 -4.499 -0.143
173 HB2 TRP 23 HB2 TRP 23 -9.131 -3.725 0.668
174 HB3 TRP 23 HB3 TRP 23 -9.949 -4.414 2.067
175 HD1 TRP 23 HD1 TRP 23 -9.220 -6.811 2.225
176 HE1 TRP 23 HE1 TRP 23 -9.016 -8.831 0.596
177 HE3 TRP 23 HE3 TRP 23 -10.405 -4.439 -2.094
178 HZ2 TRP 23 HZ2 TRP 23 -9.378 -9.308 -2.185
179 HZ3 TRP 23 HZ3 TRP 23 -10.497 -5.693 -4.178
180 HH2 TRP 23 HH2 TRP 23 -9.990 -8.087 -4.235
181 H ALA 24 H ALA 24 -11.189 -1.911 2.202
182 HA ALA 24 HA ALA 24 -12.970 -3.123 4.040
183 HB1 ALA 24 HB1 ALA 24 -11.794 -0.358 3.982
184 HB2 ALA 24 HB2 ALA 24 -11.149 -1.757 4.843
185 HB3 ALA 24 HB3 ALA 24 -12.684 -1.037 5.343
186 H LEU 25 H LEU 25 -13.078 -0.252 1.982
187 HA LEU 25 HA LEU 25 -15.794 0.348 2.727
188 HB2 LEU 25 HB2 LEU 25 -13.927 1.715 0.812
189 HB3 LEU 25 HB3 LEU 25 -15.547 2.264 1.194
190 HG LEU 25 HG LEU 25 -13.231 2.055 3.133
191 HD11 LEU 25 HD11 LEU 25 -12.917 3.836 1.531
192 HD12 LEU 25 HD12 LEU 25 -13.278 4.493 3.126
193 HD13 LEU 25 HD13 LEU 25 -14.530 4.461 1.883
194 HD21 LEU 25 HD21 LEU 25 -15.381 1.700 4.243
195 HD22 LEU 25 HD22 LEU 25 -16.003 3.188 3.531
196 HD23 LEU 25 HD23 LEU 25 -14.683 3.255 4.696
197 H LEU 26 H LEU 26 -14.258 -1.087 -0.085
198 HA LEU 26 HA LEU 26 -16.732 -0.794 -1.603
199 HB2 LEU 26 HB2 LEU 26 -14.653 -0.031 -2.616
200 HB3 LEU 26 HB3 LEU 26 -13.967 -1.619 -2.395
201 HG LEU 26 HG LEU 26 -15.692 -2.495 -3.915
202 HD11 LEU 26 HD11 LEU 26 -16.133 0.433 -4.536
203 HD12 LEU 26 HD12 LEU 26 -17.298 -0.669 -3.811
204 HD13 LEU 26 HD13 LEU 26 -16.772 -0.915 -5.476
205 HD21 LEU 26 HD21 LEU 26 -14.488 -1.744 -5.954
206 HD22 LEU 26 HD22 LEU 26 -13.418 -2.205 -4.641
207 HD23 LEU 26 HD23 LEU 26 -13.707 -0.498 -4.982
208 H ALA 27 H ALA 27 -15.036 -3.134 0.054
209 HA ALA 27 HA ALA 27 -16.400 -5.273 -1.442
210 HB1 ALA 27 HB1 ALA 27 -14.763 -6.873 -0.541
211 HB2 ALA 27 HB2 ALA 27 -14.032 -5.583 0.416
212 HB3 ALA 27 HB3 ALA 27 -13.955 -5.527 -1.339
Start of MODEL 17
1 H1 ARG 1 HT1 ARG 1 15.584 -10.099 -1.019
2 H2 ARG 1 HT2 ARG 1 15.986 -9.714 -2.573
3 H3 ARG 1 HT3 ARG 1 15.273 -11.219 -2.247
4 HA ARG 1 HA ARG 1 13.686 -9.666 -3.220
5 HB2 ARG 1 HB2 ARG 1 13.217 -10.131 -0.254
6 HB3 ARG 1 HB3 ARG 1 11.993 -9.650 -1.418
7 HG2 ARG 1 HG2 ARG 1 13.525 -12.240 -1.487
8 HG3 ARG 1 HG3 ARG 1 11.899 -12.030 -0.854
9 HD2 ARG 1 HD2 ARG 1 11.087 -11.352 -3.023
10 HD3 ARG 1 HD3 ARG 1 12.713 -11.409 -3.692
11 HE ARG 1 HE ARG 1 11.946 -13.861 -2.522
12 HH11 ARG 1 HH11 ARG 1 11.435 -11.908 -5.415
13 HH12 ARG 1 HH12 ARG 1 11.252 -13.239 -6.462
14 HH21 ARG 1 HH21 ARG 1 11.730 -15.701 -3.974
15 HH22 ARG 1 HH22 ARG 1 11.518 -15.426 -5.634
16 H ASN 2 H ASN 2 12.656 -7.625 -3.114
17 HA ASN 2 HA ASN 2 14.319 -5.559 -2.071
18 HB2 ASN 2 HB2 ASN 2 13.119 -5.226 -4.163
19 HB3 ASN 2 HB3 ASN 2 11.575 -5.449 -3.352
20 HD21 ASN 2 HD21 ASN 2 14.319 -3.357 -3.727
21 HD22 ASN 2 HD22 ASN 2 13.558 -1.914 -3.154
22 H LYS 3 H LYS 3 14.400 -5.256 0.009
23 HA LYS 3 HA LYS 3 11.909 -4.959 1.473
24 HB2 LYS 3 HB2 LYS 3 13.351 -7.109 1.857
25 HB3 LYS 3 HB3 LYS 3 14.438 -6.012 2.697
26 HG2 LYS 3 HG2 LYS 3 13.022 -7.122 4.242
27 HG3 LYS 3 HG3 LYS 3 12.594 -5.404 4.206
28 HD2 LYS 3 HD2 LYS 3 11.117 -7.020 2.268
29 HD3 LYS 3 HD3 LYS 3 10.824 -7.502 3.932
30 HE2 LYS 3 HE2 LYS 3 10.641 -4.644 2.978
31 HE3 LYS 3 HE3 LYS 3 9.253 -5.736 2.974
32 HZ1 LYS 3 HZ1 LYS 3 9.363 -4.341 4.980
33 HZ2 LYS 3 HZ2 LYS 3 10.842 -4.990 5.385
34 HZ3 LYS 3 HZ3 LYS 3 9.475 -5.959 5.364
35 H LEU 4 H LEU 4 11.894 -2.907 2.341
36 HA LEU 4 HA LEU 4 14.282 -1.475 3.021
37 HB2 LEU 4 HB2 LEU 4 14.094 -1.588 0.468
38 HB3 LEU 4 HB3 LEU 4 12.685 -0.587 0.632
39 HG LEU 4 HG LEU 4 14.144 1.138 1.783
40 HD11 LEU 4 HD11 LEU 4 16.011 -0.331 2.367
41 HD12 LEU 4 HD12 LEU 4 16.535 1.029 1.382
42 HD13 LEU 4 HD13 LEU 4 16.349 -0.567 0.652
43 HD21 LEU 4 HD21 LEU 4 15.010 2.018 -0.316
44 HD22 LEU 4 HD22 LEU 4 13.392 1.336 -0.560
45 HD23 LEU 4 HD23 LEU 4 14.822 0.436 -1.060
46 H ALA 5 H ALA 5 13.650 0.637 3.784
47 HA ALA 5 HA ALA 5 11.271 0.798 5.199
48 HB1 ALA 5 HB1 ALA 5 13.277 2.093 5.722
49 HB2 ALA 5 HB2 ALA 5 11.868 3.149 5.556
50 HB3 ALA 5 HB3 ALA 5 13.054 3.029 4.247
51 H TYR 6 H TYR 6 12.142 1.993 2.081
52 HA TYR 6 HA TYR 6 9.592 3.217 1.638
53 HB2 TYR 6 HB2 TYR 6 11.974 2.820 -0.141
54 HB3 TYR 6 HB3 TYR 6 10.452 3.439 -0.777
55 HD1 TYR 6 HD1 TYR 6 9.696 5.644 -0.252
56 HD2 TYR 6 HD2 TYR 6 13.272 4.156 1.498
57 HE1 TYR 6 HE1 TYR 6 10.225 7.886 0.514
58 HE2 TYR 6 HE2 TYR 6 13.834 6.416 2.277
59 HH TYR 6 HH TYR 6 13.333 8.682 1.906
60 H ASN 7 H ASN 7 10.685 0.086 1.421
61 HA ASN 7 HA ASN 7 8.841 -0.755 -0.630
62 HB2 ASN 7 HB2 ASN 7 10.817 -2.134 -0.254
63 HB3 ASN 7 HB3 ASN 7 10.392 -2.347 1.436
64 HD21 ASN 7 HD21 ASN 7 9.834 -3.370 -1.776
65 HD22 ASN 7 HD22 ASN 7 8.787 -4.700 -1.410
66 H MET 8 H MET 8 9.090 -1.342 2.835
67 HA MET 8 HA MET 8 6.323 -2.026 2.904
68 HB2 MET 8 HB2 MET 8 7.834 -3.246 4.330
69 HB3 MET 8 HB3 MET 8 8.250 -1.763 5.184
70 HG2 MET 8 HG2 MET 8 6.652 -3.197 6.425
71 HG3 MET 8 HG3 MET 8 6.065 -1.577 6.091
72 HE1 MET 8 HE1 MET 8 4.673 -5.166 3.508
73 HE2 MET 8 HE2 MET 8 5.949 -5.331 4.721
74 HE3 MET 8 HE3 MET 8 6.213 -4.343 3.285
75 H GLY 9 H GLY 9 8.152 0.632 4.410
76 HA2 GLY 9 HA2 GLY 9 5.917 1.729 5.728
77 HA3 GLY 9 HA3 GLY 9 7.435 2.541 5.396
78 H HIS 10 H HIS 10 7.463 2.641 2.703
79 HA HIS 10 HA HIS 10 5.748 4.862 2.178
80 HB2 HIS 10 HB2 HIS 10 7.960 4.602 1.139
81 HB3 HIS 10 HB3 HIS 10 7.373 3.212 0.230
82 HD1 HIS 10 HD1 HIS 10 5.867 6.663 0.727
83 HD2 HIS 10 HD2 HIS 10 7.141 4.124 -2.279
84 HE1 HIS 10 HE1 HIS 10 5.209 7.758 -1.370
85 H TYR 11 H TYR 11 5.567 1.479 1.194
86 HA TYR 11 HA TYR 11 3.157 1.886 -0.261
87 HB2 TYR 11 HB2 TYR 11 4.691 -0.484 0.575
88 HB3 TYR 11 HB3 TYR 11 3.021 -0.713 0.104
89 HD1 TYR 11 HD1 TYR 11 2.277 -0.333 -2.119
90 HD2 TYR 11 HD2 TYR 11 6.367 0.203 -1.117
91 HE1 TYR 11 HE1 TYR 11 2.816 -0.321 -4.479
92 HE2 TYR 11 HE2 TYR 11 6.956 0.223 -3.509
93 HH TYR 11 HH TYR 11 5.950 -0.681 -5.610
94 H ALA 12 H ALA 12 3.865 1.091 3.055
95 HA ALA 12 HA ALA 12 1.468 -0.047 3.803
96 HB1 ALA 12 HB1 ALA 12 1.989 0.615 6.088
97 HB2 ALA 12 HB2 ALA 12 3.176 1.779 5.497
98 HB3 ALA 12 HB3 ALA 12 3.443 0.053 5.259
99 H GLY 13 H GLY 13 2.331 3.350 3.691
100 HA2 GLY 13 HA2 GLY 13 -0.169 4.292 4.702
101 HA3 GLY 13 HA3 GLY 13 1.001 5.265 3.822
102 H LYS 14 H LYS 14 1.015 3.610 1.476
103 HA LYS 14 HA LYS 14 -1.292 4.794 0.276
104 HB2 LYS 14 HB2 LYS 14 1.069 3.344 -0.872
105 HB3 LYS 14 HB3 LYS 14 -0.356 3.642 -1.856
106 HG2 LYS 14 HG2 LYS 14 1.327 5.371 -2.253
107 HG3 LYS 14 HG3 LYS 14 -0.100 6.062 -1.493
108 HD2 LYS 14 HD2 LYS 14 1.055 6.084 0.665
109 HD3 LYS 14 HD3 LYS 14 2.465 5.338 -0.078
110 HE2 LYS 14 HE2 LYS 14 2.760 7.276 -1.526
111 HE3 LYS 14 HE3 LYS 14 1.324 8.027 -0.832
112 HZ1 LYS 14 HZ1 LYS 14 3.448 8.852 0.126
113 HZ2 LYS 14 HZ2 LYS 14 3.761 7.326 0.730
114 HZ3 LYS 14 HZ3 LYS 14 2.444 8.179 1.290
115 H ALA 15 H ALA 15 -0.342 1.656 1.267
116 HA ALA 15 HA ALA 15 -2.339 0.233 -0.114
117 HB1 ALA 15 HB1 ALA 15 -0.331 -0.864 0.723
118 HB2 ALA 15 HB2 ALA 15 -1.786 -1.607 1.411
119 HB3 ALA 15 HB3 ALA 15 -0.820 -0.497 2.375
120 H THR 16 H THR 16 -2.297 1.917 2.932
121 HA THR 16 HA THR 16 -4.752 0.807 3.799
122 HB THR 16 HB THR 16 -3.685 3.501 4.670
123 HG1 THR 16 HG1 THR 16 -3.021 1.340 6.234
124 HG21 THR 16 HG21 THR 16 -5.284 1.336 6.042
125 HG22 THR 16 HG22 THR 16 -5.936 2.848 5.414
126 HG23 THR 16 HG23 THR 16 -4.807 2.874 6.771
127 H ILE 17 H ILE 17 -3.909 3.664 1.870
128 HA ILE 17 HA ILE 17 -6.684 4.384 1.790
129 HB ILE 17 HB ILE 17 -5.109 6.242 1.662
130 HG12 ILE 17 HG12 ILE 17 -5.947 7.419 -0.374
131 HG13 ILE 17 HG13 ILE 17 -6.638 5.887 -0.909
132 HG21 ILE 17 HG21 ILE 17 -3.241 5.195 0.619
133 HG22 ILE 17 HG22 ILE 17 -3.675 6.662 -0.269
134 HG23 ILE 17 HG23 ILE 17 -4.111 5.075 -0.908
135 HD11 ILE 17 HD11 ILE 17 -8.099 5.846 1.019
136 HD12 ILE 17 HD12 ILE 17 -8.302 7.366 0.136
137 HD13 ILE 17 HD13 ILE 17 -7.367 7.328 1.631
138 H PHE 18 H PHE 18 -4.464 3.051 -0.644
139 HA PHE 18 HA PHE 18 -6.639 2.676 -2.454
140 HB2 PHE 18 HB2 PHE 18 -3.780 1.800 -2.622
141 HB3 PHE 18 HB3 PHE 18 -4.982 1.572 -3.897
142 HD1 PHE 18 HD1 PHE 18 -6.386 3.890 -4.163
143 HD2 PHE 18 HD2 PHE 18 -2.328 3.485 -3.089
144 HE1 PHE 18 HE1 PHE 18 -5.940 6.143 -5.089
145 HE2 PHE 18 HE2 PHE 18 -1.840 5.739 -3.984
146 HZ PHE 18 HZ PHE 18 -3.659 7.074 -4.991
147 H GLY 19 H GLY 19 -4.432 0.363 -0.937
148 HA2 GLY 19 HA2 GLY 19 -5.628 -1.989 -1.872
149 HA3 GLY 19 HA3 GLY 19 -4.635 -1.826 -0.425
150 H LEU 20 H LEU 20 -5.964 -0.402 1.251
151 HA LEU 20 HA LEU 20 -7.825 -2.218 2.270
152 HB2 LEU 20 HB2 LEU 20 -6.437 -0.264 3.356
153 HB3 LEU 20 HB3 LEU 20 -7.966 0.582 3.179
154 HG LEU 20 HG LEU 20 -8.966 -1.496 4.308
155 HD11 LEU 20 HD11 LEU 20 -6.950 -2.852 4.138
156 HD12 LEU 20 HD12 LEU 20 -7.433 -2.635 5.831
157 HD13 LEU 20 HD13 LEU 20 -6.102 -1.691 5.155
158 HD21 LEU 20 HD21 LEU 20 -7.261 0.464 5.818
159 HD22 LEU 20 HD22 LEU 20 -8.551 -0.543 6.506
160 HD23 LEU 20 HD23 LEU 20 -8.942 0.690 5.312
161 H ALA 21 H ALA 21 -8.266 0.615 0.204
162 HA ALA 21 HA ALA 21 -10.968 1.078 0.658
163 HB1 ALA 21 HB1 ALA 21 -10.986 2.159 -1.513
164 HB2 ALA 21 HB2 ALA 21 -9.421 1.420 -1.904
165 HB3 ALA 21 HB3 ALA 21 -9.543 2.597 -0.603
166 H ALA 22 H ALA 22 -9.419 -1.519 -1.050
167 HA ALA 22 HA ALA 22 -11.681 -2.217 -2.657
168 HB1 ALA 22 HB1 ALA 22 -10.454 -4.282 -3.115
169 HB2 ALA 22 HB2 ALA 22 -9.301 -3.892 -1.837
170 HB3 ALA 22 HB3 ALA 22 -9.391 -2.884 -3.274
171 H TRP 23 H TRP 23 -10.534 -3.026 0.517
172 HA TRP 23 HA TRP 23 -12.689 -4.929 0.770
173 HB2 TRP 23 HB2 TRP 23 -10.144 -4.781 1.928
174 HB3 TRP 23 HB3 TRP 23 -11.282 -4.515 3.235
175 HD1 TRP 23 HD1 TRP 23 -12.001 -6.739 4.361
176 HE1 TRP 23 HE1 TRP 23 -12.444 -9.161 3.560
177 HE3 TRP 23 HE3 TRP 23 -10.897 -6.180 -0.601
178 HZ2 TRP 23 HZ2 TRP 23 -12.333 -10.616 1.151
179 HZ3 TRP 23 HZ3 TRP 23 -11.097 -8.105 -2.083
180 HH2 TRP 23 HH2 TRP 23 -11.795 -10.297 -1.226
181 H ALA 24 H ALA 24 -11.810 -1.803 1.976
182 HA ALA 24 HA ALA 24 -14.014 -1.680 3.779
183 HB1 ALA 24 HB1 ALA 24 -12.288 0.564 2.749
184 HB2 ALA 24 HB2 ALA 24 -11.986 -0.405 4.194
185 HB3 ALA 24 HB3 ALA 24 -13.400 0.648 4.117
186 H LEU 25 H LEU 25 -13.354 0.042 0.743
187 HA LEU 25 HA LEU 25 -16.037 1.092 0.663
188 HB2 LEU 25 HB2 LEU 25 -13.597 1.527 -1.000
189 HB3 LEU 25 HB3 LEU 25 -15.162 2.093 -1.563
190 HG LEU 25 HG LEU 25 -15.270 3.493 0.539
191 HD11 LEU 25 HD11 LEU 25 -13.206 3.970 1.729
192 HD12 LEU 25 HD12 LEU 25 -12.385 2.691 0.830
193 HD13 LEU 25 HD13 LEU 25 -13.698 2.290 1.939
194 HD21 LEU 25 HD21 LEU 25 -13.726 5.188 -0.279
195 HD22 LEU 25 HD22 LEU 25 -14.653 4.460 -1.587
196 HD23 LEU 25 HD23 LEU 25 -12.965 3.994 -1.327
197 H LEU 26 H LEU 26 -14.268 -1.418 -1.019
198 HA LEU 26 HA LEU 26 -16.337 -1.584 -3.051
199 HB2 LEU 26 HB2 LEU 26 -14.062 -1.580 -3.827
200 HB3 LEU 26 HB3 LEU 26 -13.663 -2.912 -2.765
201 HG LEU 26 HG LEU 26 -15.236 -4.308 -4.085
202 HD11 LEU 26 HD11 LEU 26 -16.571 -2.620 -5.149
203 HD12 LEU 26 HD12 LEU 26 -15.780 -3.603 -6.376
204 HD13 LEU 26 HD13 LEU 26 -15.162 -1.993 -6.002
205 HD21 LEU 26 HD21 LEU 26 -13.627 -4.661 -5.939
206 HD22 LEU 26 HD22 LEU 26 -12.873 -4.545 -4.352
207 HD23 LEU 26 HD23 LEU 26 -12.812 -3.167 -5.457
208 H ALA 27 H ALA 27 -15.480 -3.173 -0.236
209 HA ALA 27 HA ALA 27 -17.031 -5.523 -1.047
210 HB1 ALA 27 HB1 ALA 27 -15.014 -5.338 1.182
211 HB2 ALA 27 HB2 ALA 27 -14.730 -6.016 -0.420
212 HB3 ALA 27 HB3 ALA 27 -15.860 -6.798 0.673
Start of MODEL 18
1 H1 ARG 1 HT1 ARG 1 15.788 -1.567 -3.673
2 H2 ARG 1 HT2 ARG 1 17.325 -1.133 -4.206
3 H3 ARG 1 HT3 ARG 1 17.010 -1.349 -2.546
4 HA ARG 1 HA ARG 1 16.865 -3.458 -4.577
5 HB2 ARG 1 HB2 ARG 1 18.852 -2.968 -2.349
6 HB3 ARG 1 HB3 ARG 1 18.817 -4.398 -3.351
7 HG2 ARG 1 HG2 ARG 1 19.244 -2.927 -5.325
8 HG3 ARG 1 HG3 ARG 1 19.453 -1.589 -4.198
9 HD2 ARG 1 HD2 ARG 1 21.055 -4.135 -4.259
10 HD3 ARG 1 HD3 ARG 1 21.586 -2.563 -4.837
11 HE ARG 1 HE ARG 1 21.226 -1.844 -2.430
12 HH11 ARG 1 HH11 ARG 1 22.241 -5.142 -3.331
13 HH12 ARG 1 HH12 ARG 1 23.092 -5.401 -1.898
14 HH21 ARG 1 HH21 ARG 1 22.481 -2.217 -0.510
15 HH22 ARG 1 HH22 ARG 1 23.298 -3.726 -0.312
16 H ASN 2 H ASN 2 15.443 -4.900 -3.995
17 HA ASN 2 HA ASN 2 14.100 -6.285 -2.825
18 HB2 ASN 2 HB2 ASN 2 16.098 -6.919 -1.510
19 HB3 ASN 2 HB3 ASN 2 15.796 -5.562 -0.428
20 HD21 ASN 2 HD21 ASN 2 13.333 -7.795 -1.729
21 HD22 ASN 2 HD22 ASN 2 12.935 -8.449 -0.189
22 H LYS 3 H LYS 3 14.730 -3.820 -0.465
23 HA LYS 3 HA LYS 3 11.821 -3.229 -0.371
24 HB2 LYS 3 HB2 LYS 3 12.860 -4.182 1.733
25 HB3 LYS 3 HB3 LYS 3 13.854 -2.734 1.811
26 HG2 LYS 3 HG2 LYS 3 11.460 -1.580 1.572
27 HG3 LYS 3 HG3 LYS 3 10.972 -3.081 2.340
28 HD2 LYS 3 HD2 LYS 3 11.313 -1.477 4.054
29 HD3 LYS 3 HD3 LYS 3 12.673 -2.604 4.120
30 HE2 LYS 3 HE2 LYS 3 12.984 -0.202 2.420
31 HE3 LYS 3 HE3 LYS 3 12.988 0.081 4.164
32 HZ1 LYS 3 HZ1 LYS 3 14.855 -1.483 4.315
33 HZ2 LYS 3 HZ2 LYS 3 15.209 -0.192 3.331
34 HZ3 LYS 3 HZ3 LYS 3 14.880 -1.686 2.644
35 H LEU 4 H LEU 4 11.262 -1.059 -0.396
36 HA LEU 4 HA LEU 4 13.369 0.951 -0.450
37 HB2 LEU 4 HB2 LEU 4 12.726 0.195 -2.778
38 HB3 LEU 4 HB3 LEU 4 11.133 0.860 -2.475
39 HG LEU 4 HG LEU 4 12.281 3.098 -2.067
40 HD11 LEU 4 HD11 LEU 4 14.608 1.687 -3.353
41 HD12 LEU 4 HD12 LEU 4 14.527 2.268 -1.689
42 HD13 LEU 4 HD13 LEU 4 14.482 3.415 -3.028
43 HD21 LEU 4 HD21 LEU 4 12.537 1.901 -4.828
44 HD22 LEU 4 HD22 LEU 4 12.493 3.616 -4.441
45 HD23 LEU 4 HD23 LEU 4 11.075 2.612 -4.147
46 H ALA 5 H ALA 5 12.554 2.944 0.303
47 HA ALA 5 HA ALA 5 10.621 2.782 2.288
48 HB1 ALA 5 HB1 ALA 5 11.602 5.268 0.916
49 HB2 ALA 5 HB2 ALA 5 12.467 4.425 2.192
50 HB3 ALA 5 HB3 ALA 5 10.896 5.160 2.531
51 H TYR 6 H TYR 6 10.404 4.019 -0.913
52 HA TYR 6 HA TYR 6 7.689 4.860 -0.585
53 HB2 TYR 6 HB2 TYR 6 9.322 4.645 -3.117
54 HB3 TYR 6 HB3 TYR 6 7.685 5.268 -3.033
55 HD1 TYR 6 HD1 TYR 6 11.174 6.013 -2.449
56 HD2 TYR 6 HD2 TYR 6 7.193 7.316 -1.752
57 HE1 TYR 6 HE1 TYR 6 12.008 8.254 -1.877
58 HE2 TYR 6 HE2 TYR 6 8.001 9.538 -1.196
59 HH TYR 6 HH TYR 6 11.133 10.567 -1.890
60 H ASN 7 H ASN 7 9.215 1.999 -1.629
61 HA ASN 7 HA ASN 7 6.841 1.028 -2.875
62 HB2 ASN 7 HB2 ASN 7 9.413 -0.444 -2.252
63 HB3 ASN 7 HB3 ASN 7 8.010 -1.204 -2.982
64 HD21 ASN 7 HD21 ASN 7 8.972 -1.655 -4.919
65 HD22 ASN 7 HD22 ASN 7 9.453 -0.443 -6.047
66 H MET 8 H MET 8 8.531 0.340 0.113
67 HA MET 8 HA MET 8 6.422 -1.374 0.969
68 HB2 MET 8 HB2 MET 8 8.651 -1.848 1.715
69 HB3 MET 8 HB3 MET 8 8.799 -0.258 2.438
70 HG2 MET 8 HG2 MET 8 8.428 -1.555 4.296
71 HG3 MET 8 HG3 MET 8 6.804 -1.023 3.918
72 HE1 MET 8 HE1 MET 8 5.013 -2.614 2.631
73 HE2 MET 8 HE2 MET 8 5.243 -4.347 2.398
74 HE3 MET 8 HE3 MET 8 6.121 -3.218 1.382
75 H GLY 9 H GLY 9 7.621 1.742 2.263
76 HA2 GLY 9 HA2 GLY 9 5.474 1.930 4.076
77 HA3 GLY 9 HA3 GLY 9 6.682 3.151 3.754
78 H HIS 10 H HIS 10 6.121 3.540 0.999
79 HA HIS 10 HA HIS 10 3.936 5.365 1.382
80 HB2 HIS 10 HB2 HIS 10 5.941 5.798 -0.096
81 HB3 HIS 10 HB3 HIS 10 5.224 4.694 -1.268
82 HD1 HIS 10 HD1 HIS 10 3.975 7.732 0.705
83 HD2 HIS 10 HD2 HIS 10 3.984 6.119 -3.116
84 HE1 HIS 10 HE1 HIS 10 2.669 9.282 -0.646
85 H TYR 11 H TYR 11 4.252 2.287 -0.363
86 HA TYR 11 HA TYR 11 1.552 2.337 -1.241
87 HB2 TYR 11 HB2 TYR 11 3.553 0.124 -1.072
88 HB3 TYR 11 HB3 TYR 11 1.875 -0.218 -1.458
89 HD1 TYR 11 HD1 TYR 11 4.962 1.196 -2.629
90 HD2 TYR 11 HD2 TYR 11 0.880 0.629 -3.493
91 HE1 TYR 11 HE1 TYR 11 5.399 1.773 -5.005
92 HE2 TYR 11 HE2 TYR 11 1.245 1.194 -5.828
93 HH TYR 11 HH TYR 11 4.361 1.398 -7.182
94 H ALA 12 H ALA 12 3.080 1.241 1.687
95 HA ALA 12 HA ALA 12 0.982 -0.272 2.727
96 HB1 ALA 12 HB1 ALA 12 3.228 -0.144 3.737
97 HB2 ALA 12 HB2 ALA 12 1.947 0.151 4.913
98 HB3 ALA 12 HB3 ALA 12 2.876 1.504 4.264
99 H GLY 13 H GLY 13 1.460 3.176 2.595
100 HA2 GLY 13 HA2 GLY 13 -0.794 3.805 4.234
101 HA3 GLY 13 HA3 GLY 13 0.052 4.909 3.153
102 H LYS 14 H LYS 14 -0.242 3.693 0.742
103 HA LYS 14 HA LYS 14 -2.866 4.550 0.127
104 HB2 LYS 14 HB2 LYS 14 -0.631 3.580 -1.597
105 HB3 LYS 14 HB3 LYS 14 -2.253 3.673 -2.269
106 HG2 LYS 14 HG2 LYS 14 -1.132 5.687 -2.828
107 HG3 LYS 14 HG3 LYS 14 -2.325 6.063 -1.593
108 HD2 LYS 14 HD2 LYS 14 -0.501 5.965 0.105
109 HD3 LYS 14 HD3 LYS 14 0.657 5.768 -1.209
110 HE2 LYS 14 HE2 LYS 14 -1.191 8.109 -0.767
111 HE3 LYS 14 HE3 LYS 14 0.548 8.089 -0.520
112 HZ1 LYS 14 HZ1 LYS 14 0.870 7.800 -2.901
113 HZ2 LYS 14 HZ2 LYS 14 -0.156 9.121 -2.668
114 HZ3 LYS 14 HZ3 LYS 14 -0.774 7.653 -3.130
115 H ALA 15 H ALA 15 -1.441 1.362 0.272
116 HA ALA 15 HA ALA 15 -3.710 0.117 -0.869
117 HB1 ALA 15 HB1 ALA 15 -1.542 -0.988 -0.879
118 HB2 ALA 15 HB2 ALA 15 -2.776 -1.966 -0.071
119 HB3 ALA 15 HB3 ALA 15 -1.578 -1.092 0.889
120 H THR 16 H THR 16 -2.874 1.112 2.339
121 HA THR 16 HA THR 16 -4.979 -0.425 3.477
122 HB THR 16 HB THR 16 -3.590 1.914 4.809
123 HG1 THR 16 HG1 THR 16 -1.927 0.530 4.521
124 HG21 THR 16 HG21 THR 16 -4.206 0.705 6.875
125 HG22 THR 16 HG22 THR 16 -4.973 -0.546 5.892
126 HG23 THR 16 HG23 THR 16 -5.644 1.088 5.916
127 H ILE 17 H ILE 17 -4.653 2.918 2.347
128 HA ILE 17 HA ILE 17 -7.313 3.428 3.245
129 HB ILE 17 HB ILE 17 -5.855 5.337 3.230
130 HG12 ILE 17 HG12 ILE 17 -7.203 6.987 1.918
131 HG13 ILE 17 HG13 ILE 17 -8.009 5.640 1.129
132 HG21 ILE 17 HG21 ILE 17 -4.344 4.769 1.476
133 HG22 ILE 17 HG22 ILE 17 -5.008 6.385 1.184
134 HG23 ILE 17 HG23 ILE 17 -5.607 4.997 0.265
135 HD11 ILE 17 HD11 ILE 17 -8.913 4.913 3.274
136 HD12 ILE 17 HD12 ILE 17 -9.357 6.584 2.933
137 HD13 ILE 17 HD13 ILE 17 -8.064 6.229 4.078
138 H PHE 18 H PHE 18 -5.945 3.003 -0.035
139 HA PHE 18 HA PHE 18 -8.587 3.052 -1.126
140 HB2 PHE 18 HB2 PHE 18 -5.956 2.464 -2.478
141 HB3 PHE 18 HB3 PHE 18 -7.505 2.640 -3.300
142 HD1 PHE 18 HD1 PHE 18 -8.719 4.931 -2.088
143 HD2 PHE 18 HD2 PHE 18 -4.622 4.259 -3.008
144 HE1 PHE 18 HE1 PHE 18 -8.365 7.362 -2.250
145 HE2 PHE 18 HE2 PHE 18 -4.263 6.678 -3.176
146 HZ PHE 18 HZ PHE 18 -6.137 8.240 -2.798
147 H GLY 19 H GLY 19 -6.035 0.590 -1.226
148 HA2 GLY 19 HA2 GLY 19 -7.496 -1.519 -2.263
149 HA3 GLY 19 HA3 GLY 19 -6.106 -1.680 -1.199
150 H LEU 20 H LEU 20 -6.879 -0.881 1.159
151 HA LEU 20 HA LEU 20 -8.440 -3.016 2.042
152 HB2 LEU 20 HB2 LEU 20 -6.776 -1.352 3.252
153 HB3 LEU 20 HB3 LEU 20 -8.288 -0.624 3.748
154 HG LEU 20 HG LEU 20 -8.961 -2.974 4.461
155 HD11 LEU 20 HD11 LEU 20 -5.996 -3.276 4.322
156 HD12 LEU 20 HD12 LEU 20 -7.153 -4.099 3.275
157 HD13 LEU 20 HD13 LEU 20 -7.114 -4.459 5.012
158 HD21 LEU 20 HD21 LEU 20 -8.474 -1.175 6.034
159 HD22 LEU 20 HD22 LEU 20 -6.751 -1.562 5.947
160 HD23 LEU 20 HD23 LEU 20 -7.901 -2.736 6.613
161 H ALA 21 H ALA 21 -9.395 0.280 1.136
162 HA ALA 21 HA ALA 21 -11.940 0.292 2.324
163 HB1 ALA 21 HB1 ALA 21 -10.897 2.327 1.431
164 HB2 ALA 21 HB2 ALA 21 -12.496 2.056 0.730
165 HB3 ALA 21 HB3 ALA 21 -11.046 1.679 -0.200
166 H ALA 22 H ALA 22 -10.712 -1.264 -0.484
167 HA ALA 22 HA ALA 22 -13.225 -1.751 -1.709
168 HB1 ALA 22 HB1 ALA 22 -11.146 -1.892 -2.985
169 HB2 ALA 22 HB2 ALA 22 -12.059 -3.402 -3.060
170 HB3 ALA 22 HB3 ALA 22 -10.641 -3.278 -2.010
171 H TRP 23 H TRP 23 -11.395 -3.312 0.807
172 HA TRP 23 HA TRP 23 -13.238 -5.534 0.716
173 HB2 TRP 23 HB2 TRP 23 -10.557 -5.423 1.404
174 HB3 TRP 23 HB3 TRP 23 -11.390 -5.552 2.941
175 HD1 TRP 23 HD1 TRP 23 -11.423 -8.046 3.637
176 HE1 TRP 23 HE1 TRP 23 -12.032 -10.264 2.476
177 HE3 TRP 23 HE3 TRP 23 -12.222 -6.298 -1.103
178 HZ2 TRP 23 HZ2 TRP 23 -12.746 -11.150 -0.107
179 HZ3 TRP 23 HZ3 TRP 23 -12.883 -7.863 -2.847
180 HH2 TRP 23 HH2 TRP 23 -13.134 -10.260 -2.374
181 H ALA 24 H ALA 24 -12.381 -2.890 2.822
182 HA ALA 24 HA ALA 24 -14.281 -3.660 4.803
183 HB1 ALA 24 HB1 ALA 24 -13.799 -1.514 5.839
184 HB2 ALA 24 HB2 ALA 24 -12.893 -1.016 4.408
185 HB3 ALA 24 HB3 ALA 24 -12.320 -2.360 5.395
186 H LEU 25 H LEU 25 -14.220 -0.939 2.532
187 HA LEU 25 HA LEU 25 -16.935 -0.289 3.199
188 HB2 LEU 25 HB2 LEU 25 -14.883 1.051 1.499
189 HB3 LEU 25 HB3 LEU 25 -16.556 1.585 1.457
190 HG LEU 25 HG LEU 25 -15.393 3.073 2.877
191 HD11 LEU 25 HD11 LEU 25 -16.802 1.134 4.675
192 HD12 LEU 25 HD12 LEU 25 -17.540 2.451 3.765
193 HD13 LEU 25 HD13 LEU 25 -16.397 2.802 5.064
194 HD21 LEU 25 HD21 LEU 25 -14.245 0.699 4.337
195 HD22 LEU 25 HD22 LEU 25 -14.021 2.394 4.791
196 HD23 LEU 25 HD23 LEU 25 -13.355 1.796 3.275
197 H LEU 26 H LEU 26 -15.363 -1.860 0.492
198 HA LEU 26 HA LEU 26 -17.722 -1.477 -1.157
199 HB2 LEU 26 HB2 LEU 26 -15.583 -1.061 -2.189
200 HB3 LEU 26 HB3 LEU 26 -15.025 -2.649 -1.720
201 HG LEU 26 HG LEU 26 -16.795 -3.575 -3.204
202 HD11 LEU 26 HD11 LEU 26 -18.200 -1.649 -3.479
203 HD12 LEU 26 HD12 LEU 26 -17.592 -2.162 -5.055
204 HD13 LEU 26 HD13 LEU 26 -16.894 -0.755 -4.260
205 HD21 LEU 26 HD21 LEU 26 -15.406 -3.296 -5.243
206 HD22 LEU 26 HD22 LEU 26 -14.476 -3.667 -3.800
207 HD23 LEU 26 HD23 LEU 26 -14.521 -2.010 -4.419
208 H ALA 27 H ALA 27 -16.448 -3.802 0.852
209 HA ALA 27 HA ALA 27 -18.047 -5.890 -0.458
210 HB1 ALA 27 HB1 ALA 27 -15.659 -6.445 -0.307
211 HB2 ALA 27 HB2 ALA 27 -16.643 -7.555 0.640
212 HB3 ALA 27 HB3 ALA 27 -15.732 -6.284 1.448
Start of MODEL 19
1 H1 ARG 1 HT1 ARG 1 -13.580 -11.675 1.701
2 H2 ARG 1 HT2 ARG 1 -12.282 -10.863 0.968
3 H3 ARG 1 HT3 ARG 1 -12.946 -12.224 0.246
4 HA ARG 1 HA ARG 1 -13.576 -10.206 -0.861
5 HB2 ARG 1 HB2 ARG 1 -15.054 -12.261 -0.740
6 HB3 ARG 1 HB3 ARG 1 -15.941 -11.457 0.546
7 HG2 ARG 1 HG2 ARG 1 -16.391 -9.592 -1.066
8 HG3 ARG 1 HG3 ARG 1 -15.718 -10.616 -2.340
9 HD2 ARG 1 HD2 ARG 1 -18.104 -10.851 -2.352
10 HD3 ARG 1 HD3 ARG 1 -17.401 -12.344 -1.732
11 HE ARG 1 HE ARG 1 -18.510 -10.237 0.006
12 HH11 ARG 1 HH11 ARG 1 -18.117 -13.701 -0.746
13 HH12 ARG 1 HH12 ARG 1 -19.143 -14.196 0.506
14 HH21 ARG 1 HH21 ARG 1 -19.865 -11.001 1.791
15 HH22 ARG 1 HH22 ARG 1 -20.067 -12.678 1.966
16 H ASN 2 H ASN 2 -13.368 -9.864 2.408
17 HA ASN 2 HA ASN 2 -15.302 -7.743 2.564
18 HB2 ASN 2 HB2 ASN 2 -14.953 -9.304 4.504
19 HB3 ASN 2 HB3 ASN 2 -13.355 -8.610 4.722
20 HD21 ASN 2 HD21 ASN 2 -15.749 -8.654 6.471
21 HD22 ASN 2 HD22 ASN 2 -16.057 -6.999 6.876
22 H LYS 3 H LYS 3 -14.721 -6.190 1.386
23 HA LYS 3 HA LYS 3 -12.109 -4.878 1.751
24 HB2 LYS 3 HB2 LYS 3 -12.334 -4.214 -0.598
25 HB3 LYS 3 HB3 LYS 3 -12.165 -5.957 -0.399
26 HG2 LYS 3 HG2 LYS 3 -14.453 -6.319 -0.722
27 HG3 LYS 3 HG3 LYS 3 -14.756 -4.584 -0.529
28 HD2 LYS 3 HD2 LYS 3 -13.143 -5.695 -2.800
29 HD3 LYS 3 HD3 LYS 3 -14.896 -5.480 -2.896
30 HE2 LYS 3 HE2 LYS 3 -14.555 -3.106 -2.239
31 HE3 LYS 3 HE3 LYS 3 -12.826 -3.353 -2.392
32 HZ1 LYS 3 HZ1 LYS 3 -13.838 -2.426 -4.439
33 HZ2 LYS 3 HZ2 LYS 3 -14.775 -3.823 -4.574
34 HZ3 LYS 3 HZ3 LYS 3 -13.113 -3.923 -4.708
35 H LEU 4 H LEU 4 -12.379 -2.665 0.609
36 HA LEU 4 HA LEU 4 -14.856 -1.322 0.692
37 HB2 LEU 4 HB2 LEU 4 -14.156 -1.555 3.102
38 HB3 LEU 4 HB3 LEU 4 -12.743 -0.576 2.739
39 HG LEU 4 HG LEU 4 -14.414 1.239 2.008
40 HD11 LEU 4 HD11 LEU 4 -16.619 1.131 2.966
41 HD12 LEU 4 HD12 LEU 4 -16.287 -0.474 3.610
42 HD13 LEU 4 HD13 LEU 4 -16.390 -0.236 1.871
43 HD21 LEU 4 HD21 LEU 4 -14.324 0.421 4.915
44 HD22 LEU 4 HD22 LEU 4 -14.764 2.011 4.310
45 HD23 LEU 4 HD23 LEU 4 -13.129 1.407 4.073
46 H ALA 5 H ALA 5 -14.378 0.882 -0.055
47 HA ALA 5 HA ALA 5 -12.409 0.945 -2.038
48 HB1 ALA 5 HB1 ALA 5 -13.881 3.253 -0.793
49 HB2 ALA 5 HB2 ALA 5 -14.489 2.232 -2.093
50 HB3 ALA 5 HB3 ALA 5 -13.071 3.249 -2.362
51 H TYR 6 H TYR 6 -12.434 2.022 1.219
52 HA TYR 6 HA TYR 6 -9.857 3.283 0.935
53 HB2 TYR 6 HB2 TYR 6 -11.614 2.930 3.355
54 HB3 TYR 6 HB3 TYR 6 -9.997 3.616 3.438
55 HD1 TYR 6 HD1 TYR 6 -9.481 5.723 2.312
56 HD2 TYR 6 HD2 TYR 6 -13.452 4.221 2.522
57 HE1 TYR 6 HE1 TYR 6 -10.332 7.943 1.747
58 HE2 TYR 6 HE2 TYR 6 -14.325 6.453 1.941
59 HH TYR 6 HH TYR 6 -12.399 8.849 0.688
60 H ASN 7 H ASN 7 -11.025 0.251 1.670
61 HA ASN 7 HA ASN 7 -8.714 -0.653 3.096
62 HB2 ASN 7 HB2 ASN 7 -10.754 -1.812 3.563
63 HB3 ASN 7 HB3 ASN 7 -11.038 -2.141 1.861
64 HD21 ASN 7 HD21 ASN 7 -9.194 -3.035 4.698
65 HD22 ASN 7 HD22 ASN 7 -8.642 -4.545 4.097
66 H MET 8 H MET 8 -10.006 -1.410 -0.105
67 HA MET 8 HA MET 8 -7.449 -2.426 -0.811
68 HB2 MET 8 HB2 MET 8 -9.971 -2.145 -2.412
69 HB3 MET 8 HB3 MET 8 -8.469 -2.746 -3.113
70 HG2 MET 8 HG2 MET 8 -9.684 -4.006 -0.683
71 HG3 MET 8 HG3 MET 8 -10.261 -4.402 -2.293
72 HE1 MET 8 HE1 MET 8 -7.204 -4.506 0.200
73 HE2 MET 8 HE2 MET 8 -6.282 -3.875 -1.187
74 HE3 MET 8 HE3 MET 8 -6.060 -5.521 -0.655
75 H GLY 9 H GLY 9 -9.319 0.268 -2.161
76 HA2 GLY 9 HA2 GLY 9 -7.289 1.110 -3.915
77 HA3 GLY 9 HA3 GLY 9 -8.689 2.048 -3.439
78 H HIS 10 H HIS 10 -8.248 2.445 -0.802
79 HA HIS 10 HA HIS 10 -6.378 4.606 -0.883
80 HB2 HIS 10 HB2 HIS 10 -8.404 4.535 0.528
81 HB3 HIS 10 HB3 HIS 10 -7.608 3.351 1.569
82 HD1 HIS 10 HD1 HIS 10 -6.974 6.875 0.262
83 HD2 HIS 10 HD2 HIS 10 -6.330 4.495 3.585
84 HE1 HIS 10 HE1 HIS 10 -5.857 8.306 1.846
85 H TYR 11 H TYR 11 -6.157 1.374 0.597
86 HA TYR 11 HA TYR 11 -3.531 1.807 1.544
87 HB2 TYR 11 HB2 TYR 11 -5.166 -0.626 1.131
88 HB3 TYR 11 HB3 TYR 11 -3.443 -0.805 1.420
89 HD1 TYR 11 HD1 TYR 11 -2.500 -0.374 3.554
90 HD2 TYR 11 HD2 TYR 11 -6.634 0.285 2.882
91 HE1 TYR 11 HE1 TYR 11 -2.842 -0.204 5.965
92 HE2 TYR 11 HE2 TYR 11 -7.002 0.456 5.312
93 HH TYR 11 HH TYR 11 -5.908 -0.266 7.425
94 H ALA 12 H ALA 12 -4.765 0.612 -1.526
95 HA ALA 12 HA ALA 12 -2.394 -0.388 -2.583
96 HB1 ALA 12 HB1 ALA 12 -3.347 0.041 -4.789
97 HB2 ALA 12 HB2 ALA 12 -4.553 1.106 -4.068
98 HB3 ALA 12 HB3 ALA 12 -4.567 -0.622 -3.697
99 H GLY 13 H GLY 13 -3.611 2.885 -2.490
100 HA2 GLY 13 HA2 GLY 13 -1.550 4.083 -3.993
101 HA3 GLY 13 HA3 GLY 13 -2.594 4.903 -2.843
102 H LYS 14 H LYS 14 -1.902 3.540 -0.528
103 HA LYS 14 HA LYS 14 0.497 4.984 0.045
104 HB2 LYS 14 HB2 LYS 14 -1.449 3.512 1.748
105 HB3 LYS 14 HB3 LYS 14 0.136 3.890 2.398
106 HG2 LYS 14 HG2 LYS 14 -1.388 5.608 3.076
107 HG3 LYS 14 HG3 LYS 14 -0.285 6.285 1.886
108 HD2 LYS 14 HD2 LYS 14 -2.021 5.993 0.163
109 HD3 LYS 14 HD3 LYS 14 -3.127 5.411 1.411
110 HE2 LYS 14 HE2 LYS 14 -1.818 8.118 1.287
111 HE3 LYS 14 HE3 LYS 14 -3.520 7.775 0.972
112 HZ1 LYS 14 HZ1 LYS 14 -3.214 8.642 3.156
113 HZ2 LYS 14 HZ2 LYS 14 -2.086 7.465 3.540
114 HZ3 LYS 14 HZ3 LYS 14 -3.693 7.033 3.326
115 H ALA 15 H ALA 15 -0.360 1.618 -0.244
116 HA ALA 15 HA ALA 15 2.055 0.663 0.827
117 HB1 ALA 15 HB1 ALA 15 1.469 -1.475 -0.121
118 HB2 ALA 15 HB2 ALA 15 0.164 -0.726 -1.059
119 HB3 ALA 15 HB3 ALA 15 0.083 -0.759 0.705
120 H THR 16 H THR 16 1.160 1.701 -2.360
121 HA THR 16 HA THR 16 3.537 0.582 -3.477
122 HB THR 16 HB THR 16 1.817 2.724 -4.747
123 HG1 THR 16 HG1 THR 16 1.226 0.184 -4.136
124 HG21 THR 16 HG21 THR 16 4.031 2.431 -5.752
125 HG22 THR 16 HG22 THR 16 2.785 1.787 -6.836
126 HG23 THR 16 HG23 THR 16 3.761 0.697 -5.844
127 H ILE 17 H ILE 17 2.645 3.794 -2.267
128 HA ILE 17 HA ILE 17 5.219 4.754 -3.059
129 HB ILE 17 HB ILE 17 3.444 6.403 -3.053
130 HG12 ILE 17 HG12 ILE 17 5.422 7.012 -0.849
131 HG13 ILE 17 HG13 ILE 17 5.701 7.234 -2.569
132 HG21 ILE 17 HG21 ILE 17 3.150 5.941 -0.091
133 HG22 ILE 17 HG22 ILE 17 1.978 5.537 -1.352
134 HG23 ILE 17 HG23 ILE 17 2.357 7.218 -1.011
135 HD11 ILE 17 HD11 ILE 17 5.219 9.353 -1.489
136 HD12 ILE 17 HD12 ILE 17 3.684 8.727 -0.892
137 HD13 ILE 17 HD13 ILE 17 3.936 8.937 -2.626
138 H PHE 18 H PHE 18 3.799 4.053 0.130
139 HA PHE 18 HA PHE 18 6.340 4.435 1.387
140 HB2 PHE 18 HB2 PHE 18 3.734 3.488 2.528
141 HB3 PHE 18 HB3 PHE 18 5.173 3.885 3.484
142 HD1 PHE 18 HD1 PHE 18 6.166 6.270 2.611
143 HD2 PHE 18 HD2 PHE 18 2.109 5.050 2.630
144 HE1 PHE 18 HE1 PHE 18 5.473 8.627 2.668
145 HE2 PHE 18 HE2 PHE 18 1.386 7.411 2.687
146 HZ PHE 18 HZ PHE 18 3.084 9.205 2.697
147 H GLY 19 H GLY 19 4.123 1.669 1.304
148 HA2 GLY 19 HA2 GLY 19 5.734 -0.256 2.451
149 HA3 GLY 19 HA3 GLY 19 4.457 -0.562 1.284
150 H LEU 20 H LEU 20 5.373 0.406 -0.995
151 HA LEU 20 HA LEU 20 7.244 -1.527 -1.776
152 HB2 LEU 20 HB2 LEU 20 5.532 0.030 -3.116
153 HB3 LEU 20 HB3 LEU 20 7.032 0.866 -3.466
154 HG LEU 20 HG LEU 20 7.916 -1.460 -4.094
155 HD11 LEU 20 HD11 LEU 20 6.028 -2.691 -3.163
156 HD12 LEU 20 HD12 LEU 20 6.211 -3.018 -4.892
157 HD13 LEU 20 HD13 LEU 20 4.962 -1.902 -4.321
158 HD21 LEU 20 HD21 LEU 20 5.862 -0.073 -5.808
159 HD22 LEU 20 HD22 LEU 20 7.110 -1.195 -6.379
160 HD23 LEU 20 HD23 LEU 20 7.571 0.355 -5.679
161 H ALA 21 H ALA 21 7.683 1.852 -0.763
162 HA ALA 21 HA ALA 21 10.375 2.066 -1.596
163 HB1 ALA 21 HB1 ALA 21 8.975 3.467 0.681
164 HB2 ALA 21 HB2 ALA 21 9.023 4.031 -0.988
165 HB3 ALA 21 HB3 ALA 21 10.507 3.952 -0.041
166 H ALA 22 H ALA 22 8.829 0.635 1.120
167 HA ALA 22 HA ALA 22 11.179 0.277 2.686
168 HB1 ALA 22 HB1 ALA 22 9.862 -1.302 3.982
169 HB2 ALA 22 HB2 ALA 22 8.593 -1.280 2.755
170 HB3 ALA 22 HB3 ALA 22 8.939 0.174 3.694
171 H TRP 23 H TRP 23 9.672 -1.447 0.117
172 HA TRP 23 HA TRP 23 11.405 -3.724 0.526
173 HB2 TRP 23 HB2 TRP 23 8.858 -3.422 -0.543
174 HB3 TRP 23 HB3 TRP 23 9.892 -3.845 -1.912
175 HD1 TRP 23 HD1 TRP 23 9.756 -6.373 -2.253
176 HE1 TRP 23 HE1 TRP 23 9.842 -8.441 -0.723
177 HE3 TRP 23 HE3 TRP 23 9.938 -4.009 2.264
178 HZ2 TRP 23 HZ2 TRP 23 9.974 -8.976 2.062
179 HZ3 TRP 23 HZ3 TRP 23 10.059 -5.326 4.297
180 HH2 TRP 23 HH2 TRP 23 10.086 -7.770 4.216
181 H ALA 24 H ALA 24 10.933 -1.227 -1.902
182 HA ALA 24 HA ALA 24 13.106 -2.170 -3.460
183 HB1 ALA 24 HB1 ALA 24 11.673 0.464 -3.540
184 HB2 ALA 24 HB2 ALA 24 11.241 -0.966 -4.471
185 HB3 ALA 24 HB3 ALA 24 12.776 -0.139 -4.773
186 H LEU 25 H LEU 25 12.635 0.750 -1.521
187 HA LEU 25 HA LEU 25 15.384 1.524 -1.842
188 HB2 LEU 25 HB2 LEU 25 13.115 2.818 -0.386
189 HB3 LEU 25 HB3 LEU 25 14.725 3.516 -0.571
190 HG LEU 25 HG LEU 25 12.707 2.926 -2.744
191 HD11 LEU 25 HD11 LEU 25 12.129 4.845 -1.401
192 HD12 LEU 25 HD12 LEU 25 12.618 5.336 -3.026
193 HD13 LEU 25 HD13 LEU 25 13.727 5.542 -1.671
194 HD21 LEU 25 HD21 LEU 25 14.965 2.576 -3.604
195 HD22 LEU 25 HD22 LEU 25 15.461 4.143 -2.974
196 HD23 LEU 25 HD23 LEU 25 14.262 4.048 -4.268
197 H LEU 26 H LEU 26 13.599 -0.088 0.680
198 HA LEU 26 HA LEU 26 15.708 0.571 2.595
199 HB2 LEU 26 HB2 LEU 26 13.439 1.022 3.329
200 HB3 LEU 26 HB3 LEU 26 12.976 -0.623 2.957
201 HG LEU 26 HG LEU 26 14.556 -1.358 4.712
202 HD11 LEU 26 HD11 LEU 26 15.196 0.259 6.450
203 HD12 LEU 26 HD12 LEU 26 14.559 1.563 5.440
204 HD13 LEU 26 HD13 LEU 26 15.937 0.610 4.888
205 HD21 LEU 26 HD21 LEU 26 12.180 -1.363 5.113
206 HD22 LEU 26 HD22 LEU 26 12.207 0.349 5.530
207 HD23 LEU 26 HD23 LEU 26 13.008 -0.829 6.575
208 H ALA 27 H ALA 27 14.685 -1.891 0.630
209 HA ALA 27 HA ALA 27 16.154 -3.895 2.212
210 HB1 ALA 27 HB1 ALA 27 14.073 -4.417 0.093
211 HB2 ALA 27 HB2 ALA 27 13.769 -4.449 1.825
212 HB3 ALA 27 HB3 ALA 27 14.857 -5.634 1.102
Start of MODEL 20
1 H1 ARG 1 HT1 ARG 1 18.650 -9.880 -0.781
2 H2 ARG 1 HT2 ARG 1 17.978 -9.767 -2.340
3 H3 ARG 1 HT3 ARG 1 17.086 -10.428 -1.102
4 HA ARG 1 HA ARG 1 17.023 -8.327 0.053
5 HB2 ARG 1 HB2 ARG 1 18.283 -7.331 -2.505
6 HB3 ARG 1 HB3 ARG 1 17.756 -6.341 -1.155
7 HG2 ARG 1 HG2 ARG 1 19.492 -7.239 0.247
8 HG3 ARG 1 HG3 ARG 1 19.967 -8.394 -0.991
9 HD2 ARG 1 HD2 ARG 1 20.152 -5.390 -1.150
10 HD3 ARG 1 HD3 ARG 1 21.488 -6.536 -1.012
11 HE ARG 1 HE ARG 1 20.329 -7.365 -3.240
12 HH11 ARG 1 HH11 ARG 1 21.296 -4.137 -2.191
13 HH12 ARG 1 HH12 ARG 1 21.496 -3.495 -3.742
14 HH21 ARG 1 HH21 ARG 1 20.631 -6.506 -5.447
15 HH22 ARG 1 HH22 ARG 1 21.127 -4.893 -5.631
16 H ASN 2 H ASN 2 15.309 -6.782 -0.599
17 HA ASN 2 HA ASN 2 13.935 -7.037 -3.080
18 HB2 ASN 2 HB2 ASN 2 13.415 -9.292 -2.149
19 HB3 ASN 2 HB3 ASN 2 12.652 -8.522 -0.769
20 HD21 ASN 2 HD21 ASN 2 12.416 -7.607 -4.207
21 HD22 ASN 2 HD22 ASN 2 10.718 -7.903 -4.308
22 H LYS 3 H LYS 3 13.839 -6.327 0.299
23 HA LYS 3 HA LYS 3 11.546 -4.581 0.046
24 HB2 LYS 3 HB2 LYS 3 11.926 -6.083 1.987
25 HB3 LYS 3 HB3 LYS 3 13.318 -5.108 2.419
26 HG2 LYS 3 HG2 LYS 3 11.523 -3.152 2.350
27 HG3 LYS 3 HG3 LYS 3 10.407 -4.490 2.616
28 HD2 LYS 3 HD2 LYS 3 11.010 -3.552 4.735
29 HD3 LYS 3 HD3 LYS 3 11.758 -5.145 4.594
30 HE2 LYS 3 HE2 LYS 3 13.888 -4.117 3.973
31 HE3 LYS 3 HE3 LYS 3 13.147 -2.522 4.005
32 HZ1 LYS 3 HZ1 LYS 3 12.805 -2.805 6.389
33 HZ2 LYS 3 HZ2 LYS 3 14.421 -3.023 5.990
34 HZ3 LYS 3 HZ3 LYS 3 13.451 -4.358 6.302
35 H LEU 4 H LEU 4 11.640 -2.389 0.696
36 HA LEU 4 HA LEU 4 14.014 -0.928 1.235
37 HB2 LEU 4 HB2 LEU 4 14.158 -1.151 -1.201
38 HB3 LEU 4 HB3 LEU 4 12.517 -0.566 -1.390
39 HG LEU 4 HG LEU 4 13.373 1.633 -0.387
40 HD11 LEU 4 HD11 LEU 4 15.711 2.081 -0.497
41 HD12 LEU 4 HD12 LEU 4 16.032 0.452 -1.075
42 HD13 LEU 4 HD13 LEU 4 15.442 0.698 0.567
43 HD21 LEU 4 HD21 LEU 4 12.885 1.377 -2.761
44 HD22 LEU 4 HD22 LEU 4 14.496 0.711 -3.021
45 HD23 LEU 4 HD23 LEU 4 14.310 2.388 -2.517
46 H ALA 5 H ALA 5 13.310 1.326 1.607
47 HA ALA 5 HA ALA 5 11.079 1.502 3.196
48 HB1 ALA 5 HB1 ALA 5 12.446 3.758 1.755
49 HB2 ALA 5 HB2 ALA 5 13.010 3.002 3.240
50 HB3 ALA 5 HB3 ALA 5 11.479 3.886 3.233
51 H TYR 6 H TYR 6 11.416 2.273 -0.154
52 HA TYR 6 HA TYR 6 8.767 3.293 -0.417
53 HB2 TYR 6 HB2 TYR 6 10.704 2.417 -2.545
54 HB3 TYR 6 HB3 TYR 6 9.115 3.071 -2.886
55 HD1 TYR 6 HD1 TYR 6 8.589 5.384 -2.408
56 HD2 TYR 6 HD2 TYR 6 12.496 3.849 -1.803
57 HE1 TYR 6 HE1 TYR 6 9.466 7.675 -2.334
58 HE2 TYR 6 HE2 TYR 6 13.386 6.136 -1.718
59 HH TYR 6 HH TYR 6 12.815 8.318 -2.492
60 H ASN 7 H ASN 7 10.148 0.183 -0.637
61 HA ASN 7 HA ASN 7 7.983 -1.000 -2.066
62 HB2 ASN 7 HB2 ASN 7 10.243 -2.229 -0.487
63 HB3 ASN 7 HB3 ASN 7 8.988 -3.198 -1.248
64 HD21 ASN 7 HD21 ASN 7 9.051 -3.480 -3.456
65 HD22 ASN 7 HD22 ASN 7 10.315 -2.859 -4.456
66 H MET 8 H MET 8 8.991 -1.352 1.287
67 HA MET 8 HA MET 8 6.360 -2.323 1.871
68 HB2 MET 8 HB2 MET 8 8.154 -3.367 3.071
69 HB3 MET 8 HB3 MET 8 8.655 -1.830 3.753
70 HG2 MET 8 HG2 MET 8 7.394 -3.319 5.320
71 HG3 MET 8 HG3 MET 8 6.736 -1.700 5.132
72 HE1 MET 8 HE1 MET 8 6.259 -4.421 2.348
73 HE2 MET 8 HE2 MET 8 4.836 -5.298 2.914
74 HE3 MET 8 HE3 MET 8 6.363 -5.430 3.796
75 H GLY 9 H GLY 9 8.144 0.520 3.040
76 HA2 GLY 9 HA2 GLY 9 6.015 1.474 4.617
77 HA3 GLY 9 HA3 GLY 9 7.438 2.381 4.150
78 H HIS 10 H HIS 10 7.158 2.531 1.432
79 HA HIS 10 HA HIS 10 5.222 4.637 1.227
80 HB2 HIS 10 HB2 HIS 10 7.343 4.579 -0.081
81 HB3 HIS 10 HB3 HIS 10 6.663 3.274 -1.059
82 HD1 HIS 10 HD1 HIS 10 5.704 6.808 -0.046
83 HD2 HIS 10 HD2 HIS 10 5.501 4.188 -3.250
84 HE1 HIS 10 HE1 HIS 10 4.595 8.055 -1.798
85 H TYR 11 H TYR 11 5.295 1.322 -0.002
86 HA TYR 11 HA TYR 11 2.778 1.562 -1.227
87 HB2 TYR 11 HB2 TYR 11 4.493 -0.762 -0.582
88 HB3 TYR 11 HB3 TYR 11 2.799 -1.027 -0.971
89 HD1 TYR 11 HD1 TYR 11 1.915 -0.297 -3.100
90 HD2 TYR 11 HD2 TYR 11 6.045 -0.226 -2.257
91 HE1 TYR 11 HE1 TYR 11 2.343 -0.175 -5.487
92 HE2 TYR 11 HE2 TYR 11 6.547 -0.079 -4.684
93 HH TYR 11 HH TYR 11 5.388 -0.730 -6.814
94 H ALA 12 H ALA 12 3.691 0.817 2.033
95 HA ALA 12 HA ALA 12 1.356 -0.398 2.891
96 HB1 ALA 12 HB1 ALA 12 1.916 0.383 5.129
97 HB2 ALA 12 HB2 ALA 12 3.045 1.559 4.452
98 HB3 ALA 12 HB3 ALA 12 3.366 -0.169 4.289
99 H GLY 13 H GLY 13 2.069 2.985 2.380
100 HA2 GLY 13 HA2 GLY 13 -0.388 3.974 3.437
101 HA3 GLY 13 HA3 GLY 13 0.701 4.848 2.370
102 H LYS 14 H LYS 14 0.716 3.191 0.163
103 HA LYS 14 HA LYS 14 -1.732 4.005 -1.031
104 HB2 LYS 14 HB2 LYS 14 0.648 2.555 -2.143
105 HB3 LYS 14 HB3 LYS 14 -0.825 2.690 -3.090
106 HG2 LYS 14 HG2 LYS 14 0.649 4.441 -3.762
107 HG3 LYS 14 HG3 LYS 14 -0.670 5.172 -2.856
108 HD2 LYS 14 HD2 LYS 14 0.847 5.100 -0.836
109 HD3 LYS 14 HD3 LYS 14 2.154 4.656 -1.929
110 HE2 LYS 14 HE2 LYS 14 0.504 7.179 -2.071
111 HE3 LYS 14 HE3 LYS 14 2.152 7.057 -1.473
112 HZ1 LYS 14 HZ1 LYS 14 2.852 6.384 -3.701
113 HZ2 LYS 14 HZ2 LYS 14 2.086 7.886 -3.690
114 HZ3 LYS 14 HZ3 LYS 14 1.253 6.554 -4.258
115 H ALA 15 H ALA 15 -0.545 0.973 0.124
116 HA ALA 15 HA ALA 15 -2.595 -0.582 -0.989
117 HB1 ALA 15 HB1 ALA 15 -0.869 -1.122 1.423
118 HB2 ALA 15 HB2 ALA 15 -0.514 -1.583 -0.249
119 HB3 ALA 15 HB3 ALA 15 -1.896 -2.297 0.596
120 H THR 16 H THR 16 -2.399 1.383 1.862
121 HA THR 16 HA THR 16 -4.735 0.259 3.035
122 HB THR 16 HB THR 16 -3.559 2.994 3.625
123 HG1 THR 16 HG1 THR 16 -1.953 1.365 4.009
124 HG21 THR 16 HG21 THR 16 -4.664 2.716 5.792
125 HG22 THR 16 HG22 THR 16 -5.186 1.108 5.320
126 HG23 THR 16 HG23 THR 16 -5.856 2.514 4.498
127 H ILE 17 H ILE 17 -4.080 3.032 0.886
128 HA ILE 17 HA ILE 17 -6.869 3.685 0.974
129 HB ILE 17 HB ILE 17 -5.423 5.563 0.613
130 HG12 ILE 17 HG12 ILE 17 -6.987 4.957 -1.921
131 HG13 ILE 17 HG13 ILE 17 -7.594 5.745 -0.471
132 HG21 ILE 17 HG21 ILE 17 -4.011 5.858 -1.386
133 HG22 ILE 17 HG22 ILE 17 -4.394 4.199 -1.849
134 HG23 ILE 17 HG23 ILE 17 -3.524 4.515 -0.347
135 HD11 ILE 17 HD11 ILE 17 -7.187 7.354 -2.229
136 HD12 ILE 17 HD12 ILE 17 -5.509 6.822 -2.340
137 HD13 ILE 17 HD13 ILE 17 -6.080 7.621 -0.877
138 H PHE 18 H PHE 18 -4.799 2.311 -1.578
139 HA PHE 18 HA PHE 18 -7.095 1.839 -3.208
140 HB2 PHE 18 HB2 PHE 18 -4.221 1.075 -3.652
141 HB3 PHE 18 HB3 PHE 18 -5.529 0.885 -4.828
142 HD1 PHE 18 HD1 PHE 18 -6.971 3.116 -5.040
143 HD2 PHE 18 HD2 PHE 18 -2.891 2.902 -3.960
144 HE1 PHE 18 HE1 PHE 18 -6.664 5.433 -5.825
145 HE2 PHE 18 HE2 PHE 18 -2.548 5.219 -4.715
146 HZ PHE 18 HZ PHE 18 -4.435 6.492 -5.653
147 H GLY 19 H GLY 19 -4.753 -0.248 -1.610
148 HA2 GLY 19 HA2 GLY 19 -5.830 -2.718 -2.444
149 HA3 GLY 19 HA3 GLY 19 -4.808 -2.465 -1.040
150 H LEU 20 H LEU 20 -6.116 -1.053 0.623
151 HA LEU 20 HA LEU 20 -8.071 -2.743 1.681
152 HB2 LEU 20 HB2 LEU 20 -6.873 -0.276 2.481
153 HB3 LEU 20 HB3 LEU 20 -8.591 -0.288 2.860
154 HG LEU 20 HG LEU 20 -8.255 -2.455 3.925
155 HD11 LEU 20 HD11 LEU 20 -6.100 -3.090 2.892
156 HD12 LEU 20 HD12 LEU 20 -5.951 -3.071 4.648
157 HD13 LEU 20 HD13 LEU 20 -5.319 -1.727 3.697
158 HD21 LEU 20 HD21 LEU 20 -6.760 -0.116 5.087
159 HD22 LEU 20 HD22 LEU 20 -7.292 -1.528 5.994
160 HD23 LEU 20 HD23 LEU 20 -8.481 -0.461 5.246
161 H ALA 21 H ALA 21 -8.478 0.028 -0.397
162 HA ALA 21 HA ALA 21 -11.237 0.332 -0.114
163 HB1 ALA 21 HB1 ALA 21 -9.656 0.676 -2.658
164 HB2 ALA 21 HB2 ALA 21 -9.865 1.907 -1.411
165 HB3 ALA 21 HB3 ALA 21 -11.256 1.342 -2.337
166 H ALA 22 H ALA 22 -9.419 -2.144 -1.715
167 HA ALA 22 HA ALA 22 -11.578 -3.191 -3.223
168 HB1 ALA 22 HB1 ALA 22 -9.271 -3.690 -3.810
169 HB2 ALA 22 HB2 ALA 22 -10.184 -5.174 -3.537
170 HB3 ALA 22 HB3 ALA 22 -9.060 -4.591 -2.310
171 H TRP 23 H TRP 23 -10.518 -3.614 0.072
172 HA TRP 23 HA TRP 23 -12.368 -5.838 0.360
173 HB2 TRP 23 HB2 TRP 23 -9.963 -5.400 1.538
174 HB3 TRP 23 HB3 TRP 23 -11.079 -4.802 2.769
175 HD1 TRP 23 HD1 TRP 23 -11.453 -6.651 4.491
176 HE1 TRP 23 HE1 TRP 23 -11.923 -9.178 4.395
177 HE3 TRP 23 HE3 TRP 23 -11.132 -7.315 -0.550
178 HZ2 TRP 23 HZ2 TRP 23 -12.153 -11.188 2.401
179 HZ3 TRP 23 HZ3 TRP 23 -11.501 -9.512 -1.489
180 HH2 TRP 23 HH2 TRP 23 -12.004 -11.446 -0.033
181 H ALA 24 H ALA 24 -11.938 -2.565 1.523
182 HA ALA 24 HA ALA 24 -14.362 -2.560 3.016
183 HB1 ALA 24 HB1 ALA 24 -12.464 -1.101 3.506
184 HB2 ALA 24 HB2 ALA 24 -13.956 -0.182 3.285
185 HB3 ALA 24 HB3 ALA 24 -12.746 -0.234 2.002
186 H LEU 25 H LEU 25 -13.524 -0.910 -0.026
187 HA LEU 25 HA LEU 25 -16.258 -0.098 -0.388
188 HB2 LEU 25 HB2 LEU 25 -13.757 0.497 -1.909
189 HB3 LEU 25 HB3 LEU 25 -15.330 0.948 -2.516
190 HG LEU 25 HG LEU 25 -15.639 2.356 -0.435
191 HD11 LEU 25 HD11 LEU 25 -13.703 2.974 0.884
192 HD12 LEU 25 HD12 LEU 25 -12.718 1.797 0.018
193 HD13 LEU 25 HD13 LEU 25 -14.052 1.253 1.034
194 HD21 LEU 25 HD21 LEU 25 -14.174 4.162 -1.172
195 HD22 LEU 25 HD22 LEU 25 -14.981 3.374 -2.522
196 HD23 LEU 25 HD23 LEU 25 -13.285 3.030 -2.187
197 H LEU 26 H LEU 26 -14.317 -2.665 -1.629
198 HA LEU 26 HA LEU 26 -16.032 -2.964 -3.994
199 HB2 LEU 26 HB2 LEU 26 -13.676 -2.908 -4.434
200 HB3 LEU 26 HB3 LEU 26 -13.395 -4.167 -3.249
201 HG LEU 26 HG LEU 26 -14.868 -5.604 -4.747
202 HD11 LEU 26 HD11 LEU 26 -15.703 -3.897 -6.209
203 HD12 LEU 26 HD12 LEU 26 -14.789 -5.080 -7.133
204 HD13 LEU 26 HD13 LEU 26 -14.072 -3.514 -6.757
205 HD21 LEU 26 HD21 LEU 26 -12.547 -6.103 -4.406
206 HD22 LEU 26 HD22 LEU 26 -12.058 -4.830 -5.524
207 HD23 LEU 26 HD23 LEU 26 -12.886 -6.259 -6.129
208 H ALA 27 H ALA 27 -15.419 -4.369 -1.025
209 HA ALA 27 HA ALA 27 -16.524 -6.918 -1.911
210 HB1 ALA 27 HB1 ALA 27 -14.301 -7.038 -0.914
211 HB2 ALA 27 HB2 ALA 27 -15.476 -7.953 0.039
212 HB3 ALA 27 HB3 ALA 27 -14.937 -6.363 0.581