Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
569388 | 2m3f RC | 18959 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 1HT THR 1 -11.860 -9.737 -3.295
2 H2 THR 1 2HT THR 1 -12.644 -11.047 -2.576
3 H3 THR 1 3HT THR 1 -11.203 -10.457 -1.912
4 HA THR 1 HA THR 1 -13.810 -9.057 -2.026
5 HB THR 1 HB THR 1 -13.746 -9.139 0.414
6 HG1 THR 1 1HG THR 1 -11.312 -10.585 0.028
7 HG21 THR 1 1HG2 THR 1 -14.823 -11.003 -0.796
8 HG22 THR 1 2HG2 THR 1 -14.160 -11.501 0.760
9 HG23 THR 1 3HG2 THR 1 -13.304 -11.892 -0.729
10 H ASP 2 H ASP 2 -13.685 -7.124 -0.401
11 HA ASP 2 HA ASP 2 -11.804 -5.272 -1.366
12 HB2 ASP 2 2HB ASP 2 -13.904 -4.511 -0.407
13 HB3 ASP 2 1HB ASP 2 -13.472 -5.190 1.160
14 H GLU 3 H GLU 3 -11.838 -7.335 1.474
15 HA GLU 3 HA GLU 3 -9.663 -6.238 2.847
16 HB2 GLU 3 2HB GLU 3 -10.729 -9.060 2.767
17 HB3 GLU 3 1HB GLU 3 -9.489 -8.516 3.889
18 HG2 GLU 3 2HG GLU 3 -12.269 -7.379 3.701
19 HG3 GLU 3 1HG GLU 3 -11.727 -8.562 4.891
20 H ASP 4 H ASP 4 -9.798 -8.593 0.226
21 HA ASP 4 HA ASP 4 -7.058 -9.336 0.315
22 HB2 ASP 4 2HB ASP 4 -8.950 -9.357 -2.049
23 HB3 ASP 4 1HB ASP 4 -7.400 -10.185 -1.973
24 H VAL 5 H VAL 5 -8.849 -6.841 -1.375
25 HA VAL 5 HA VAL 5 -6.616 -5.890 -2.879
26 HB VAL 5 HB VAL 5 -9.309 -4.660 -2.296
27 HG11 VAL 5 2HG1 VAL 5 -8.785 -3.083 -4.116
28 HG12 VAL 5 3HG1 VAL 5 -7.138 -3.713 -4.166
29 HG13 VAL 5 1HG1 VAL 5 -7.720 -2.885 -2.723
30 HG21 VAL 5 1HG2 VAL 5 -9.679 -5.240 -4.696
31 HG22 VAL 5 2HG2 VAL 5 -9.471 -6.631 -3.632
32 HG23 VAL 5 3HG2 VAL 5 -8.138 -6.102 -4.662
33 H LYS 6 H LYS 6 -8.293 -4.832 0.036
34 HA LYS 6 HA LYS 6 -6.913 -2.550 0.676
35 HB2 LYS 6 2HB LYS 6 -8.847 -3.362 1.898
36 HB3 LYS 6 1HB LYS 6 -7.945 -4.757 2.462
37 HG2 LYS 6 2HG LYS 6 -6.482 -3.298 3.743
38 HG3 LYS 6 1HG LYS 6 -7.389 -1.897 3.173
39 HD2 LYS 6 2HD LYS 6 -8.565 -4.178 4.756
40 HD3 LYS 6 1HD LYS 6 -8.060 -2.634 5.444
41 HE2 LYS 6 2HE LYS 6 -9.697 -1.454 4.141
42 HE3 LYS 6 1HE LYS 6 -10.122 -2.922 3.263
43 HZ1 LYS 6 2HZ LYS 6 -10.515 -2.502 6.174
44 HZ2 LYS 6 3HZ LYS 6 -10.971 -3.879 5.289
45 HZ3 LYS 6 1HZ LYS 6 -11.723 -2.388 4.998
46 H LYS 7 H LYS 7 -5.969 -5.884 0.975
47 HA LYS 7 HA LYS 7 -3.767 -5.614 2.678
48 HB2 LYS 7 2HB LYS 7 -4.784 -7.773 2.114
49 HB3 LYS 7 1HB LYS 7 -4.224 -7.611 0.456
50 HG2 LYS 7 2HG LYS 7 -1.925 -7.742 1.174
51 HG3 LYS 7 1HG LYS 7 -2.426 -7.780 2.865
52 HD2 LYS 7 2HD LYS 7 -3.208 -9.852 0.819
53 HD3 LYS 7 1HD LYS 7 -1.839 -10.016 1.921
54 HE2 LYS 7 2HE LYS 7 -3.385 -9.796 3.832
55 HE3 LYS 7 1HE LYS 7 -4.737 -9.706 2.705
56 HZ1 LYS 7 2HZ LYS 7 -2.890 -12.013 2.982
57 HZ2 LYS 7 3HZ LYS 7 -4.215 -11.924 1.936
58 HZ3 LYS 7 1HZ LYS 7 -4.457 -11.932 3.609
59 H TRP 8 H TRP 8 -3.810 -5.809 -0.899
60 HA TRP 8 HA TRP 8 -1.031 -5.175 -1.049
61 HB2 TRP 8 2HB TRP 8 -1.211 -5.349 -3.389
62 HB3 TRP 8 1HB TRP 8 -2.330 -6.542 -2.753
63 HD1 TRP 8 HD TRP 8 -4.775 -6.396 -3.501
64 HE1 TRP 8 1HE TRP 8 -6.094 -4.876 -5.108
65 HE3 TRP 8 3HE TRP 8 -1.305 -2.736 -4.140
66 HZ2 TRP 8 2HZ TRP 8 -5.702 -2.433 -6.450
67 HZ3 TRP 8 3HZ TRP 8 -1.849 -0.832 -5.604
68 HH2 TRP 8 HH TRP 8 -4.006 -0.684 -6.734
69 H ARG 9 H ARG 9 -3.987 -3.332 -1.217
70 HA ARG 9 HA ARG 9 -3.074 -1.068 -2.475
71 HB2 ARG 9 2HB ARG 9 -5.224 -1.541 -0.472
72 HB3 ARG 9 1HB ARG 9 -4.810 0.114 -0.898
73 HG2 ARG 9 2HG ARG 9 -5.146 -0.574 -3.307
74 HG3 ARG 9 1HG ARG 9 -5.863 -2.057 -2.675
75 HD2 ARG 9 2HD ARG 9 -6.789 0.759 -2.135
76 HD3 ARG 9 1HD ARG 9 -7.585 -0.420 -3.171
77 HE ARG 9 HE ARG 9 -7.254 -0.895 -0.283
78 HH11 ARG 9 1HH1 ARG 9 -9.306 -0.543 -3.097
79 HH12 ARG 9 2HH1 ARG 9 -10.722 -1.151 -2.304
80 HH21 ARG 9 1HH2 ARG 9 -9.134 -1.660 0.781
81 HH22 ARG 9 2HH2 ARG 9 -10.631 -1.798 -0.095
82 H GLU 10 H GLU 10 -3.176 -1.644 1.028
83 HA GLU 10 HA GLU 10 -1.755 0.750 1.615
84 HB2 GLU 10 2HB GLU 10 -1.655 -0.103 3.899
85 HB3 GLU 10 1HB GLU 10 -3.268 -0.252 3.219
86 HG2 GLU 10 2HG GLU 10 -2.886 -2.615 2.797
87 HG3 GLU 10 1HG GLU 10 -1.260 -2.475 3.465
88 H GLU 11 H GLU 11 -0.848 -2.503 0.882
89 HA GLU 11 HA GLU 11 1.772 -2.557 1.886
90 HB2 GLU 11 2HB GLU 11 0.617 -4.559 1.084
91 HB3 GLU 11 1HB GLU 11 0.592 -3.911 -0.548
92 HG2 GLU 11 2HG GLU 11 3.057 -3.991 -0.580
93 HG3 GLU 11 1HG GLU 11 3.025 -4.733 1.020
94 H ARG 12 H ARG 12 0.633 -1.863 -1.417
95 HA ARG 12 HA ARG 12 3.154 -0.909 -2.320
96 HB2 ARG 12 2HB ARG 12 0.366 -0.629 -3.446
97 HB3 ARG 12 1HB ARG 12 1.802 -0.023 -4.263
98 HG2 ARG 12 2HG ARG 12 2.711 -2.295 -4.339
99 HG3 ARG 12 1HG ARG 12 1.259 -2.894 -3.535
100 HD2 ARG 12 2HD ARG 12 1.090 -3.273 -5.916
101 HD3 ARG 12 1HD ARG 12 -0.099 -2.070 -5.418
102 HE ARG 12 HE ARG 12 2.210 -0.723 -6.250
103 HH11 ARG 12 1HH1 ARG 12 -0.312 -2.731 -7.615
104 HH12 ARG 12 2HH1 ARG 12 -0.232 -1.987 -9.180
105 HH21 ARG 12 1HH2 ARG 12 2.325 0.250 -8.307
106 HH22 ARG 12 2HH2 ARG 12 1.285 -0.303 -9.583
107 H LYS 13 H LYS 13 0.413 0.565 -0.783
108 HA LYS 13 HA LYS 13 0.845 3.247 -1.379
109 HB2 LYS 13 2HB LYS 13 -1.099 2.105 -0.105
110 HB3 LYS 13 1HB LYS 13 -0.085 2.293 1.318
111 HG2 LYS 13 2HG LYS 13 -1.552 4.136 1.298
112 HG3 LYS 13 1HG LYS 13 0.027 4.746 0.800
113 HD2 LYS 13 2HD LYS 13 -0.789 4.386 -1.596
114 HD3 LYS 13 1HD LYS 13 -2.398 4.218 -0.891
115 HE2 LYS 13 2HE LYS 13 -2.053 6.436 0.203
116 HE3 LYS 13 1HE LYS 13 -0.562 6.592 -0.722
117 HZ1 LYS 13 2HZ LYS 13 -3.296 6.332 -1.849
118 HZ2 LYS 13 3HZ LYS 13 -1.876 6.421 -2.762
119 HZ3 LYS 13 1HZ LYS 13 -2.361 7.737 -1.818
120 H LYS 14 H LYS 14 2.011 1.359 1.415
121 HA LYS 14 HA LYS 14 3.462 3.488 2.563
122 HB2 LYS 14 2HB LYS 14 3.813 0.506 2.875
123 HB3 LYS 14 1HB LYS 14 4.544 1.723 3.913
124 HG2 LYS 14 2HG LYS 14 2.396 2.439 4.692
125 HG3 LYS 14 1HG LYS 14 1.580 1.388 3.530
126 HD2 LYS 14 2HD LYS 14 2.539 -0.567 4.619
127 HD3 LYS 14 1HD LYS 14 3.359 0.476 5.785
128 HE2 LYS 14 2HE LYS 14 1.121 1.344 6.464
129 HE3 LYS 14 1HE LYS 14 0.389 0.132 5.414
130 HZ1 LYS 14 2HZ LYS 14 2.075 -0.363 7.801
131 HZ2 LYS 14 3HZ LYS 14 1.579 -1.575 6.732
132 HZ3 LYS 14 1HZ LYS 14 0.430 -0.710 7.625
133 H MET 15 H MET 15 4.268 1.128 0.118
134 HA MET 15 HA MET 15 7.058 1.245 0.310
135 HB2 MET 15 2HB MET 15 5.394 0.764 -2.162
136 HB3 MET 15 1HB MET 15 7.103 0.391 -1.989
137 HG2 MET 15 2HG MET 15 4.801 -0.871 -0.532
138 HG3 MET 15 1HG MET 15 5.862 -1.618 -1.724
139 HE1 MET 15 2HE MET 15 6.659 -3.403 1.716
140 HE2 MET 15 3HE MET 15 6.086 -3.645 0.066
141 HE3 MET 15 1HE MET 15 5.102 -2.745 1.219
142 H TRP 16 H TRP 16 4.819 3.163 -1.696
143 HA TRP 16 HA TRP 16 7.010 4.667 -2.792
144 HB2 TRP 16 2HB TRP 16 5.429 5.830 -4.106
145 HB3 TRP 16 1HB TRP 16 4.839 4.181 -4.013
146 HD1 TRP 16 HD TRP 16 2.455 3.803 -2.986
147 HE1 TRP 16 1HE TRP 16 0.611 5.408 -2.193
148 HE3 TRP 16 3HE TRP 16 5.136 8.145 -2.871
149 HZ2 TRP 16 2HZ TRP 16 0.335 8.163 -1.595
150 HZ3 TRP 16 3HZ TRP 16 4.013 10.219 -2.184
151 HH2 TRP 16 HH TRP 16 1.663 10.220 -1.549
152 H LEU 17 H LEU 17 4.739 5.032 -0.172
153 HA LEU 17 HA LEU 17 5.081 7.801 0.295
154 HB2 LEU 17 2HB LEU 17 4.105 5.488 1.909
155 HB3 LEU 17 1HB LEU 17 4.405 7.018 2.712
156 HG LEU 17 HG LEU 17 2.570 6.739 0.334
157 HD11 LEU 17 2HD1 LEU 17 1.730 5.363 2.171
158 HD12 LEU 17 3HD1 LEU 17 0.725 6.795 1.939
159 HD13 LEU 17 1HD1 LEU 17 1.878 6.732 3.272
160 HD21 LEU 17 1HD2 LEU 17 1.710 8.896 1.151
161 HD22 LEU 17 2HD2 LEU 17 3.417 8.984 0.721
162 HD23 LEU 17 3HD2 LEU 17 2.940 8.894 2.416
163 H LEU 18 H LEU 18 6.673 4.932 1.607
164 HA LEU 18 HA LEU 18 8.441 6.401 3.296
165 HB2 LEU 18 2HB LEU 18 8.214 3.572 2.378
166 HB3 LEU 18 1HB LEU 18 9.725 4.097 3.091
167 HG LEU 18 HG LEU 18 8.640 4.623 5.178
168 HD11 LEU 18 2HD1 LEU 18 6.523 5.485 4.318
169 HD12 LEU 18 3HD1 LEU 18 6.259 4.251 5.549
170 HD13 LEU 18 1HD1 LEU 18 6.048 3.856 3.844
171 HD21 LEU 18 1HD2 LEU 18 7.702 1.961 4.129
172 HD22 LEU 18 2HD2 LEU 18 7.861 2.409 5.828
173 HD23 LEU 18 3HD2 LEU 18 9.294 2.306 4.805
174 H LYS 19 H LYS 19 8.483 5.359 -0.020
175 HA LYS 19 HA LYS 19 11.219 5.722 -0.536
176 HB2 LYS 19 2HB LYS 19 9.640 4.441 -1.968
177 HB3 LYS 19 1HB LYS 19 8.877 5.955 -2.436
178 HG2 LYS 19 2HG LYS 19 10.451 5.097 -4.117
179 HG3 LYS 19 1HG LYS 19 10.894 6.695 -3.508
180 HD2 LYS 19 2HD LYS 19 12.479 5.611 -1.946
181 HD3 LYS 19 1HD LYS 19 12.089 4.053 -2.681
182 HE2 LYS 19 2HE LYS 19 12.962 4.745 -4.773
183 HE3 LYS 19 1HE LYS 19 13.113 6.411 -4.219
184 HZ1 LYS 19 2HZ LYS 19 14.777 5.686 -2.620
185 HZ2 LYS 19 3HZ LYS 19 15.251 5.306 -4.200
186 HZ3 LYS 19 1HZ LYS 19 14.652 4.092 -3.182
187 H ILE 20 H ILE 20 8.535 7.911 -0.275
188 HA ILE 20 HA ILE 20 9.528 10.156 -1.617
189 HB ILE 20 HB ILE 20 7.894 10.136 0.932
190 HG12 ILE 20 2HG1 ILE 20 6.833 8.810 -0.850
191 HG13 ILE 20 1HG1 ILE 20 5.923 10.275 -0.500
192 HG21 ILE 20 1HG2 ILE 20 7.109 12.335 0.213
193 HG22 ILE 20 2HG2 ILE 20 8.192 12.268 -1.176
194 HG23 ILE 20 3HG2 ILE 20 8.854 12.319 0.457
195 HD11 ILE 20 2HD1 ILE 20 7.739 9.797 -2.846
196 HD12 ILE 20 3HD1 ILE 20 6.951 11.332 -2.479
197 HD13 ILE 20 1HD1 ILE 20 5.977 9.911 -2.863
198 H SER 21 H SER 21 10.328 8.786 1.485
199 HA SER 21 HA SER 21 11.957 11.110 2.185
200 HB2 SER 21 2HB SER 21 10.391 10.211 3.881
201 HB3 SER 21 1HB SER 21 11.246 8.670 3.835
202 HG SER 21 HG SER 21 12.183 11.182 4.748
203 H ASN 22 H ASN 22 12.329 8.263 0.534
204 HA ASN 22 HA ASN 22 15.145 8.023 1.366
205 HB2 ASN 22 2HB ASN 22 13.337 5.857 0.266
206 HB3 ASN 22 1HB ASN 22 15.059 5.667 0.577
207 HD21 ASN 22 1HD2 ASN 22 12.921 4.151 1.708
208 HD22 ASN 22 2HD2 ASN 22 12.976 4.394 3.419
Start of MODEL 2
1 H1 THR 1 1HT THR 1 -9.438 -10.457 -4.112
2 H2 THR 1 2HT THR 1 -10.001 -11.959 -3.591
3 H3 THR 1 3HT THR 1 -9.052 -11.010 -2.561
4 HA THR 1 HA THR 1 -11.790 -10.416 -3.512
5 HB THR 1 HB THR 1 -12.400 -10.547 -1.136
6 HG1 THR 1 1HG THR 1 -9.682 -11.390 -0.752
7 HG21 THR 1 1HG2 THR 1 -10.947 -13.017 -2.079
8 HG22 THR 1 2HG2 THR 1 -12.592 -12.560 -2.518
9 HG23 THR 1 3HG2 THR 1 -12.205 -12.961 -0.846
10 H ASP 2 H ASP 2 -12.667 -8.538 -1.965
11 HA ASP 2 HA ASP 2 -11.128 -6.242 -2.585
12 HB2 ASP 2 2HB ASP 2 -13.613 -6.228 -2.299
13 HB3 ASP 2 1HB ASP 2 -13.374 -6.424 -0.564
14 H GLU 3 H GLU 3 -11.388 -8.262 0.257
15 HA GLU 3 HA GLU 3 -9.911 -6.639 2.028
16 HB2 GLU 3 2HB GLU 3 -10.131 -9.651 1.920
17 HB3 GLU 3 1HB GLU 3 -9.484 -8.732 3.273
18 HG2 GLU 3 2HG GLU 3 -12.307 -8.667 2.238
19 HG3 GLU 3 1HG GLU 3 -11.746 -9.391 3.742
20 H ASP 4 H ASP 4 -8.951 -8.961 -0.437
21 HA ASP 4 HA ASP 4 -6.156 -8.833 0.117
22 HB2 ASP 4 2HB ASP 4 -7.610 -9.588 -2.425
23 HB3 ASP 4 1HB ASP 4 -5.874 -9.747 -2.190
24 H VAL 5 H VAL 5 -8.401 -6.920 -1.742
25 HA VAL 5 HA VAL 5 -6.451 -5.328 -3.044
26 HB VAL 5 HB VAL 5 -9.320 -4.696 -2.363
27 HG11 VAL 5 2HG1 VAL 5 -8.046 -2.641 -2.579
28 HG12 VAL 5 3HG1 VAL 5 -9.091 -2.856 -3.985
29 HG13 VAL 5 1HG1 VAL 5 -7.364 -3.198 -4.107
30 HG21 VAL 5 1HG2 VAL 5 -7.979 -5.552 -4.923
31 HG22 VAL 5 2HG2 VAL 5 -9.678 -5.107 -4.762
32 HG23 VAL 5 3HG2 VAL 5 -9.056 -6.533 -3.931
33 H LYS 6 H LYS 6 -8.415 -4.785 -0.133
34 HA LYS 6 HA LYS 6 -7.246 -2.446 0.775
35 HB2 LYS 6 2HB LYS 6 -8.185 -4.840 2.358
36 HB3 LYS 6 1HB LYS 6 -7.781 -3.288 3.072
37 HG2 LYS 6 2HG LYS 6 -9.572 -2.281 1.619
38 HG3 LYS 6 1HG LYS 6 -10.052 -3.933 1.215
39 HD2 LYS 6 2HD LYS 6 -10.417 -4.418 3.573
40 HD3 LYS 6 1HD LYS 6 -9.889 -2.793 4.003
41 HE2 LYS 6 2HE LYS 6 -12.226 -2.698 4.061
42 HE3 LYS 6 1HE LYS 6 -11.781 -1.964 2.522
43 HZ1 LYS 6 2HZ LYS 6 -12.548 -4.818 2.766
44 HZ2 LYS 6 3HZ LYS 6 -12.438 -3.881 1.353
45 HZ3 LYS 6 1HZ LYS 6 -13.673 -3.584 2.472
46 H LYS 7 H LYS 7 -6.124 -5.727 0.889
47 HA LYS 7 HA LYS 7 -3.982 -5.510 2.670
48 HB2 LYS 7 2HB LYS 7 -4.911 -7.631 1.890
49 HB3 LYS 7 1HB LYS 7 -4.335 -7.298 0.264
50 HG2 LYS 7 2HG LYS 7 -2.015 -7.355 1.121
51 HG3 LYS 7 1HG LYS 7 -2.651 -7.825 2.701
52 HD2 LYS 7 2HD LYS 7 -3.114 -9.347 0.138
53 HD3 LYS 7 1HD LYS 7 -1.887 -9.754 1.337
54 HE2 LYS 7 2HE LYS 7 -3.546 -10.224 2.982
55 HE3 LYS 7 1HE LYS 7 -4.826 -9.573 1.962
56 HZ1 LYS 7 2HZ LYS 7 -4.659 -11.391 0.498
57 HZ2 LYS 7 3HZ LYS 7 -4.646 -12.054 2.051
58 HZ3 LYS 7 1HZ LYS 7 -3.202 -11.924 1.183
59 H TRP 8 H TRP 8 -3.897 -5.421 -0.926
60 HA TRP 8 HA TRP 8 -1.141 -4.679 -0.919
61 HB2 TRP 8 2HB TRP 8 -1.254 -4.589 -3.277
62 HB3 TRP 8 1HB TRP 8 -2.295 -5.910 -2.797
63 HD1 TRP 8 HD TRP 8 -4.711 -5.861 -3.626
64 HE1 TRP 8 1HE TRP 8 -6.120 -4.271 -5.070
65 HE3 TRP 8 3HE TRP 8 -1.548 -1.881 -3.718
66 HZ2 TRP 8 2HZ TRP 8 -5.913 -1.660 -6.097
67 HZ3 TRP 8 3HZ TRP 8 -2.230 0.136 -4.953
68 HH2 TRP 8 HH TRP 8 -4.368 0.243 -6.119
69 H ARG 9 H ARG 9 -4.153 -2.983 -0.938
70 HA ARG 9 HA ARG 9 -3.332 -0.546 -1.940
71 HB2 ARG 9 2HB ARG 9 -5.533 -1.407 -0.143
72 HB3 ARG 9 1HB ARG 9 -5.192 0.315 -0.250
73 HG2 ARG 9 2HG ARG 9 -5.520 0.228 -2.668
74 HG3 ARG 9 1HG ARG 9 -5.855 -1.502 -2.557
75 HD2 ARG 9 2HD ARG 9 -7.913 -0.159 -2.684
76 HD3 ARG 9 1HD ARG 9 -7.798 -1.071 -1.181
77 HE ARG 9 HE ARG 9 -6.732 1.398 -0.620
78 HH11 ARG 9 1HH1 ARG 9 -9.811 0.197 -1.779
79 HH12 ARG 9 2HH1 ARG 9 -10.725 1.485 -1.064
80 HH21 ARG 9 1HH2 ARG 9 -7.940 3.085 0.344
81 HH22 ARG 9 2HH2 ARG 9 -9.665 3.116 0.157
82 H GLU 10 H GLU 10 -3.493 -1.596 1.435
83 HA GLU 10 HA GLU 10 -2.227 0.771 2.402
84 HB2 GLU 10 2HB GLU 10 -2.209 -0.378 4.564
85 HB3 GLU 10 1HB GLU 10 -3.783 -0.459 3.788
86 HG2 GLU 10 2HG GLU 10 -3.368 -2.734 3.101
87 HG3 GLU 10 1HG GLU 10 -1.743 -2.668 3.782
88 H GLU 11 H GLU 11 -1.128 -2.384 1.381
89 HA GLU 11 HA GLU 11 1.451 -2.321 2.514
90 HB2 GLU 11 2HB GLU 11 0.547 -4.371 1.567
91 HB3 GLU 11 1HB GLU 11 0.475 -3.632 -0.028
92 HG2 GLU 11 2HG GLU 11 2.921 -3.434 -0.030
93 HG3 GLU 11 1HG GLU 11 2.972 -4.230 1.541
94 H ARG 12 H ARG 12 0.384 -1.501 -0.778
95 HA ARG 12 HA ARG 12 2.840 -0.405 -1.609
96 HB2 ARG 12 2HB ARG 12 0.038 0.072 -2.636
97 HB3 ARG 12 1HB ARG 12 1.492 0.658 -3.430
98 HG2 ARG 12 2HG ARG 12 2.257 -1.731 -3.557
99 HG3 ARG 12 1HG ARG 12 0.646 -2.195 -3.009
100 HD2 ARG 12 2HD ARG 12 0.733 -2.337 -5.407
101 HD3 ARG 12 1HD ARG 12 -0.311 -0.991 -4.952
102 HE ARG 12 HE ARG 12 2.280 -0.002 -5.336
103 HH11 ARG 12 1HH1 ARG 12 -0.331 -1.395 -7.212
104 HH12 ARG 12 2HH1 ARG 12 0.114 -0.578 -8.673
105 HH21 ARG 12 1HH2 ARG 12 2.873 1.070 -7.257
106 HH22 ARG 12 2HH2 ARG 12 1.946 0.820 -8.703
107 H LYS 13 H LYS 13 0.171 0.892 0.182
108 HA LYS 13 HA LYS 13 0.566 3.619 -0.118
109 HB2 LYS 13 2HB LYS 13 -1.223 2.259 1.232
110 HB3 LYS 13 1HB LYS 13 -0.098 2.474 2.567
111 HG2 LYS 13 2HG LYS 13 -1.658 4.232 2.720
112 HG3 LYS 13 1HG LYS 13 -0.172 4.943 2.085
113 HD2 LYS 13 2HD LYS 13 -1.158 4.609 -0.222
114 HD3 LYS 13 1HD LYS 13 -2.682 4.235 0.584
115 HE2 LYS 13 2HE LYS 13 -2.565 6.438 1.713
116 HE3 LYS 13 1HE LYS 13 -1.115 6.797 0.774
117 HZ1 LYS 13 2HZ LYS 13 -3.797 6.228 -0.359
118 HZ2 LYS 13 3HZ LYS 13 -2.407 6.594 -1.249
119 HZ3 LYS 13 1HZ LYS 13 -3.091 7.755 -0.229
120 H LYS 14 H LYS 14 1.980 1.468 2.374
121 HA LYS 14 HA LYS 14 3.747 3.393 3.419
122 HB2 LYS 14 2HB LYS 14 3.739 0.392 3.417
123 HB3 LYS 14 1HB LYS 14 5.092 1.286 4.089
124 HG2 LYS 14 2HG LYS 14 3.686 0.736 5.878
125 HG3 LYS 14 1HG LYS 14 3.452 2.453 5.577
126 HD2 LYS 14 2HD LYS 14 1.389 1.951 4.365
127 HD3 LYS 14 1HD LYS 14 1.638 0.227 4.657
128 HE2 LYS 14 2HE LYS 14 1.603 0.716 7.101
129 HE3 LYS 14 1HE LYS 14 1.156 2.375 6.712
130 HZ1 LYS 14 2HZ LYS 14 -0.401 -0.066 6.071
131 HZ2 LYS 14 3HZ LYS 14 -0.819 1.494 5.575
132 HZ3 LYS 14 1HZ LYS 14 -0.801 1.103 7.222
133 H MET 15 H MET 15 4.001 1.135 0.757
134 HA MET 15 HA MET 15 6.758 1.154 0.369
135 HB2 MET 15 2HB MET 15 4.516 0.813 -1.621
136 HB3 MET 15 1HB MET 15 6.209 0.572 -2.025
137 HG2 MET 15 2HG MET 15 4.731 -0.936 0.116
138 HG3 MET 15 1HG MET 15 4.988 -1.515 -1.529
139 HE1 MET 15 2HE MET 15 8.812 -2.081 -1.702
140 HE2 MET 15 3HE MET 15 7.907 -0.672 -2.250
141 HE3 MET 15 1HE MET 15 7.256 -2.290 -2.505
142 H TRP 16 H TRP 16 4.295 3.265 -1.135
143 HA TRP 16 HA TRP 16 6.308 4.690 -2.583
144 HB2 TRP 16 2HB TRP 16 4.574 6.046 -3.465
145 HB3 TRP 16 1HB TRP 16 3.912 4.426 -3.338
146 HD1 TRP 16 HD TRP 16 1.786 4.100 -1.832
147 HE1 TRP 16 1HE TRP 16 0.259 5.726 -0.562
148 HE3 TRP 16 3HE TRP 16 4.675 8.295 -2.083
149 HZ2 TRP 16 2HZ TRP 16 0.278 8.441 0.233
150 HZ3 TRP 16 3HZ TRP 16 3.850 10.363 -1.049
151 HH2 TRP 16 HH TRP 16 1.703 10.428 0.093
152 H LEU 17 H LEU 17 4.704 5.086 0.485
153 HA LEU 17 HA LEU 17 5.369 7.787 0.967
154 HB2 LEU 17 2HB LEU 17 4.695 5.445 2.698
155 HB3 LEU 17 1HB LEU 17 5.246 6.935 3.437
156 HG LEU 17 HG LEU 17 2.883 6.807 1.567
157 HD11 LEU 17 2HD1 LEU 17 2.920 6.700 4.581
158 HD12 LEU 17 3HD1 LEU 17 2.438 5.392 3.500
159 HD13 LEU 17 1HD1 LEU 17 1.484 6.873 3.572
160 HD21 LEU 17 1HD2 LEU 17 3.818 8.860 3.572
161 HD22 LEU 17 2HD2 LEU 17 2.328 8.952 2.632
162 HD23 LEU 17 3HD2 LEU 17 3.891 9.008 1.816
163 H LEU 18 H LEU 18 6.998 4.754 1.781
164 HA LEU 18 HA LEU 18 9.282 5.956 2.970
165 HB2 LEU 18 2HB LEU 18 8.618 3.234 1.917
166 HB3 LEU 18 1HB LEU 18 10.279 3.616 2.309
167 HG LEU 18 HG LEU 18 9.715 3.983 4.630
168 HD11 LEU 18 2HD1 LEU 18 6.854 3.449 3.840
169 HD12 LEU 18 3HD1 LEU 18 7.516 4.992 4.382
170 HD13 LEU 18 1HD1 LEU 18 7.452 3.620 5.489
171 HD21 LEU 18 1HD2 LEU 18 8.448 1.464 3.570
172 HD22 LEU 18 2HD2 LEU 18 8.974 1.735 5.232
173 HD23 LEU 18 3HD2 LEU 18 10.160 1.699 3.927
174 H LYS 19 H LYS 19 8.375 5.104 -0.285
175 HA LYS 19 HA LYS 19 10.967 5.319 -1.434
176 HB2 LYS 19 2HB LYS 19 9.093 4.051 -2.453
177 HB3 LYS 19 1HB LYS 19 8.270 5.570 -2.772
178 HG2 LYS 19 2HG LYS 19 10.050 6.254 -4.270
179 HG3 LYS 19 1HG LYS 19 10.943 4.775 -3.909
180 HD2 LYS 19 2HD LYS 19 9.760 4.600 -6.039
181 HD3 LYS 19 1HD LYS 19 9.133 3.443 -4.866
182 HE2 LYS 19 2HE LYS 19 7.254 4.930 -4.395
183 HE3 LYS 19 1HE LYS 19 7.887 6.103 -5.545
184 HZ1 LYS 19 2HZ LYS 19 7.618 4.448 -7.299
185 HZ2 LYS 19 3HZ LYS 19 6.146 4.797 -6.545
186 HZ3 LYS 19 1HZ LYS 19 6.960 3.358 -6.184
187 H ILE 20 H ILE 20 8.595 7.642 -0.490
188 HA ILE 20 HA ILE 20 9.151 9.787 -2.166
189 HB ILE 20 HB ILE 20 8.531 9.859 0.792
190 HG12 ILE 20 2HG1 ILE 20 6.791 8.784 -0.570
191 HG13 ILE 20 1HG1 ILE 20 6.234 10.322 0.081
192 HG21 ILE 20 1HG2 ILE 20 7.834 12.180 0.427
193 HG22 ILE 20 2HG2 ILE 20 8.403 12.085 -1.238
194 HG23 ILE 20 3HG2 ILE 20 9.550 11.953 0.094
195 HD11 ILE 20 2HD1 ILE 20 7.142 9.781 -2.734
196 HD12 ILE 20 3HD1 ILE 20 6.708 11.369 -2.103
197 HD13 ILE 20 1HD1 ILE 20 5.494 10.091 -2.188
198 H SER 21 H SER 21 10.682 9.016 0.939
199 HA SER 21 HA SER 21 12.807 10.898 0.501
200 HB2 SER 21 2HB SER 21 12.007 10.369 2.781
201 HB3 SER 21 1HB SER 21 12.555 8.706 2.579
202 HG SER 21 HG SER 21 14.594 10.294 1.983
203 H ASN 22 H ASN 22 12.298 7.455 0.170
204 HA ASN 22 HA ASN 22 13.454 5.785 -0.814
205 HB2 ASN 22 2HB ASN 22 13.442 7.352 -2.756
206 HB3 ASN 22 1HB ASN 22 15.000 7.974 -2.218
207 HD21 ASN 22 1HD2 ASN 22 16.153 7.321 -3.984
208 HD22 ASN 22 2HD2 ASN 22 16.457 5.660 -4.359
Start of MODEL 3
1 H1 THR 1 1HT THR 1 -9.581 -10.773 -3.682
2 H2 THR 1 2HT THR 1 -10.169 -12.251 -3.120
3 H3 THR 1 3HT THR 1 -9.213 -11.288 -2.108
4 HA THR 1 HA THR 1 -11.957 -10.734 -3.069
5 HB THR 1 HB THR 1 -12.482 -10.676 -0.663
6 HG1 THR 1 1HG THR 1 -10.845 -11.505 0.789
7 HG21 THR 1 1HG2 THR 1 -12.235 -13.084 -0.196
8 HG22 THR 1 2HG2 THR 1 -11.122 -13.213 -1.557
9 HG23 THR 1 3HG2 THR 1 -12.806 -12.772 -1.834
10 H ASP 2 H ASP 2 -12.754 -8.832 -1.406
11 HA ASP 2 HA ASP 2 -11.365 -6.486 -2.186
12 HB2 ASP 2 2HB ASP 2 -13.519 -6.973 -0.127
13 HB3 ASP 2 1HB ASP 2 -12.830 -5.380 -0.400
14 H GLU 3 H GLU 3 -11.228 -8.565 0.600
15 HA GLU 3 HA GLU 3 -9.714 -6.888 2.292
16 HB2 GLU 3 2HB GLU 3 -10.271 -9.811 2.145
17 HB3 GLU 3 1HB GLU 3 -8.936 -9.278 3.155
18 HG2 GLU 3 2HG GLU 3 -11.076 -9.560 4.363
19 HG3 GLU 3 1HG GLU 3 -10.383 -7.946 4.496
20 H ASP 4 H ASP 4 -8.808 -9.225 -0.192
21 HA ASP 4 HA ASP 4 -6.009 -9.041 0.161
22 HB2 ASP 4 2HB ASP 4 -7.632 -9.668 -2.312
23 HB3 ASP 4 1HB ASP 4 -5.876 -9.769 -2.249
24 H VAL 5 H VAL 5 -8.329 -7.103 -1.591
25 HA VAL 5 HA VAL 5 -6.449 -5.458 -2.916
26 HB VAL 5 HB VAL 5 -9.333 -4.936 -2.209
27 HG11 VAL 5 2HG1 VAL 5 -7.469 -3.366 -3.991
28 HG12 VAL 5 3HG1 VAL 5 -8.122 -2.836 -2.441
29 HG13 VAL 5 1HG1 VAL 5 -9.203 -3.085 -3.814
30 HG21 VAL 5 1HG2 VAL 5 -9.035 -6.755 -3.768
31 HG22 VAL 5 2HG2 VAL 5 -7.956 -5.770 -4.753
32 HG23 VAL 5 3HG2 VAL 5 -9.664 -5.348 -4.625
33 H LYS 6 H LYS 6 -8.393 -4.956 0.008
34 HA LYS 6 HA LYS 6 -7.391 -2.510 0.808
35 HB2 LYS 6 2HB LYS 6 -8.117 -4.889 2.518
36 HB3 LYS 6 1HB LYS 6 -7.889 -3.260 3.134
37 HG2 LYS 6 2HG LYS 6 -9.758 -2.508 1.695
38 HG3 LYS 6 1HG LYS 6 -10.019 -4.190 1.224
39 HD2 LYS 6 2HD LYS 6 -10.409 -4.786 3.565
40 HD3 LYS 6 1HD LYS 6 -10.145 -3.108 4.038
41 HE2 LYS 6 2HE LYS 6 -12.505 -3.490 3.942
42 HE3 LYS 6 1HE LYS 6 -12.060 -2.468 2.577
43 HZ1 LYS 6 2HZ LYS 6 -12.153 -4.360 1.130
44 HZ2 LYS 6 3HZ LYS 6 -13.609 -4.253 1.979
45 HZ3 LYS 6 1HZ LYS 6 -12.454 -5.410 2.428
46 H LYS 7 H LYS 7 -6.030 -5.701 1.114
47 HA LYS 7 HA LYS 7 -3.932 -5.126 2.884
48 HB2 LYS 7 2HB LYS 7 -4.722 -7.409 2.299
49 HB3 LYS 7 1HB LYS 7 -3.995 -7.221 0.709
50 HG2 LYS 7 2HG LYS 7 -1.791 -6.905 1.831
51 HG3 LYS 7 1HG LYS 7 -2.576 -7.302 3.361
52 HD2 LYS 7 2HD LYS 7 -2.331 -9.077 0.935
53 HD3 LYS 7 1HD LYS 7 -1.498 -9.272 2.476
54 HE2 LYS 7 2HE LYS 7 -4.470 -9.469 2.007
55 HE3 LYS 7 1HE LYS 7 -3.370 -10.810 2.314
56 HZ1 LYS 7 2HZ LYS 7 -4.588 -10.166 4.299
57 HZ2 LYS 7 3HZ LYS 7 -3.957 -8.601 4.208
58 HZ3 LYS 7 1HZ LYS 7 -2.928 -9.911 4.503
59 H TRP 8 H TRP 8 -3.898 -5.382 -0.693
60 HA TRP 8 HA TRP 8 -1.147 -4.616 -0.786
61 HB2 TRP 8 2HB TRP 8 -1.268 -4.809 -3.140
62 HB3 TRP 8 1HB TRP 8 -2.284 -6.088 -2.498
63 HD1 TRP 8 HD TRP 8 -4.709 -6.169 -3.299
64 HE1 TRP 8 1HE TRP 8 -6.152 -4.778 -4.908
65 HE3 TRP 8 3HE TRP 8 -1.602 -2.200 -3.891
66 HZ2 TRP 8 2HZ TRP 8 -5.978 -2.311 -6.254
67 HZ3 TRP 8 3HZ TRP 8 -2.310 -0.353 -5.358
68 HH2 TRP 8 HH TRP 8 -4.456 -0.410 -6.513
69 H ARG 9 H ARG 9 -4.191 -2.941 -0.994
70 HA ARG 9 HA ARG 9 -3.321 -0.676 -2.344
71 HB2 ARG 9 2HB ARG 9 -5.532 -1.121 -0.379
72 HB3 ARG 9 1HB ARG 9 -5.199 0.492 -0.993
73 HG2 ARG 9 2HG ARG 9 -5.432 -0.524 -3.310
74 HG3 ARG 9 1HG ARG 9 -6.117 -1.931 -2.493
75 HD2 ARG 9 2HD ARG 9 -7.149 0.892 -2.492
76 HD3 ARG 9 1HD ARG 9 -7.936 -0.543 -3.142
77 HE ARG 9 HE ARG 9 -7.389 -0.521 -0.286
78 HH11 ARG 9 1HH1 ARG 9 -9.737 -0.081 -2.850
79 HH12 ARG 9 2HH1 ARG 9 -11.099 -0.163 -1.781
80 HH21 ARG 9 1HH2 ARG 9 -9.174 -0.626 1.118
81 HH22 ARG 9 2HH2 ARG 9 -10.781 -0.497 0.473
82 H GLU 10 H GLU 10 -3.609 -1.209 1.139
83 HA GLU 10 HA GLU 10 -2.302 1.236 1.785
84 HB2 GLU 10 2HB GLU 10 -2.438 0.495 4.084
85 HB3 GLU 10 1HB GLU 10 -3.960 0.210 3.256
86 HG2 GLU 10 2HG GLU 10 -3.296 -2.164 2.971
87 HG3 GLU 10 1HG GLU 10 -1.872 -1.837 3.959
88 H GLU 11 H GLU 11 -1.243 -2.051 1.268
89 HA GLU 11 HA GLU 11 1.319 -1.856 2.428
90 HB2 GLU 11 2HB GLU 11 0.274 -3.987 1.697
91 HB3 GLU 11 1HB GLU 11 0.470 -3.488 0.024
92 HG2 GLU 11 2HG GLU 11 2.202 -5.048 0.650
93 HG3 GLU 11 1HG GLU 11 2.898 -3.462 0.316
94 H ARG 12 H ARG 12 0.284 -1.467 -0.959
95 HA ARG 12 HA ARG 12 2.768 -0.514 -1.905
96 HB2 ARG 12 2HB ARG 12 -0.031 -0.263 -2.987
97 HB3 ARG 12 1HB ARG 12 1.367 0.383 -3.832
98 HG2 ARG 12 2HG ARG 12 2.339 -1.907 -3.838
99 HG3 ARG 12 1HG ARG 12 0.826 -2.497 -3.149
100 HD2 ARG 12 2HD ARG 12 0.865 -2.818 -5.564
101 HD3 ARG 12 1HD ARG 12 -0.388 -1.670 -5.107
102 HE ARG 12 HE ARG 12 1.960 -0.262 -5.738
103 HH11 ARG 12 1HH1 ARG 12 -0.519 -2.179 -7.288
104 HH12 ARG 12 2HH1 ARG 12 -0.403 -1.342 -8.801
105 HH21 ARG 12 1HH2 ARG 12 2.122 0.845 -7.730
106 HH22 ARG 12 2HH2 ARG 12 1.112 0.370 -9.058
107 H LYS 13 H LYS 13 0.043 1.056 -0.405
108 HA LYS 13 HA LYS 13 0.651 3.721 -0.983
109 HB2 LYS 13 2HB LYS 13 -1.296 2.502 0.438
110 HB3 LYS 13 1HB LYS 13 -0.300 3.102 1.757
111 HG2 LYS 13 2HG LYS 13 -1.933 4.747 1.345
112 HG3 LYS 13 1HG LYS 13 -0.424 5.369 0.669
113 HD2 LYS 13 2HD LYS 13 -1.136 4.539 -1.555
114 HD3 LYS 13 1HD LYS 13 -2.675 4.057 -0.845
115 HE2 LYS 13 2HE LYS 13 -3.031 6.426 -0.174
116 HE3 LYS 13 1HE LYS 13 -1.561 6.844 -1.056
117 HZ1 LYS 13 2HZ LYS 13 -3.988 5.607 -2.236
118 HZ2 LYS 13 3HZ LYS 13 -2.578 6.004 -3.077
119 HZ3 LYS 13 1HZ LYS 13 -3.529 7.225 -2.399
120 H LYS 14 H LYS 14 1.628 1.703 1.774
121 HA LYS 14 HA LYS 14 3.384 3.605 2.898
122 HB2 LYS 14 2HB LYS 14 3.414 0.596 3.149
123 HB3 LYS 14 1HB LYS 14 4.255 1.724 4.205
124 HG2 LYS 14 2HG LYS 14 2.164 2.629 4.982
125 HG3 LYS 14 1HG LYS 14 1.270 1.632 3.833
126 HD2 LYS 14 2HD LYS 14 1.159 0.620 6.011
127 HD3 LYS 14 1HD LYS 14 2.155 -0.380 4.954
128 HE2 LYS 14 2HE LYS 14 4.173 0.594 5.937
129 HE3 LYS 14 1HE LYS 14 3.179 1.606 6.982
130 HZ1 LYS 14 2HZ LYS 14 2.267 -0.441 7.959
131 HZ2 LYS 14 3HZ LYS 14 3.934 -0.298 8.193
132 HZ3 LYS 14 1HZ LYS 14 3.332 -1.356 7.018
133 H MET 15 H MET 15 3.748 1.270 0.335
134 HA MET 15 HA MET 15 6.550 1.074 0.301
135 HB2 MET 15 2HB MET 15 4.554 0.835 -1.948
136 HB3 MET 15 1HB MET 15 6.267 0.491 -2.130
137 HG2 MET 15 2HG MET 15 6.067 -1.252 -0.400
138 HG3 MET 15 1HG MET 15 4.335 -0.935 -0.319
139 HE1 MET 15 2HE MET 15 6.707 -1.001 -3.482
140 HE2 MET 15 3HE MET 15 6.516 -2.679 -3.988
141 HE3 MET 15 1HE MET 15 7.296 -2.305 -2.451
142 H TRP 16 H TRP 16 4.375 3.331 -1.418
143 HA TRP 16 HA TRP 16 6.628 4.685 -2.583
144 HB2 TRP 16 2HB TRP 16 5.077 6.137 -3.661
145 HB3 TRP 16 1HB TRP 16 4.390 4.524 -3.712
146 HD1 TRP 16 HD TRP 16 2.033 4.179 -2.618
147 HE1 TRP 16 1HE TRP 16 0.331 5.779 -1.551
148 HE3 TRP 16 3HE TRP 16 4.983 8.331 -2.164
149 HZ2 TRP 16 2HZ TRP 16 0.248 8.447 -0.631
150 HZ3 TRP 16 3HZ TRP 16 4.011 10.362 -1.181
151 HH2 TRP 16 HH TRP 16 1.706 10.411 -0.424
152 H LEU 17 H LEU 17 4.574 5.121 0.208
153 HA LEU 17 HA LEU 17 5.297 7.759 0.891
154 HB2 LEU 17 2HB LEU 17 4.339 5.395 2.478
155 HB3 LEU 17 1HB LEU 17 4.771 6.894 3.277
156 HG LEU 17 HG LEU 17 2.709 6.761 1.081
157 HD11 LEU 17 2HD1 LEU 17 1.022 6.784 2.853
158 HD12 LEU 17 3HD1 LEU 17 2.292 6.622 4.068
159 HD13 LEU 17 1HD1 LEU 17 1.999 5.316 2.919
160 HD21 LEU 17 1HD2 LEU 17 3.676 8.957 1.516
161 HD22 LEU 17 2HD2 LEU 17 3.310 8.790 3.232
162 HD23 LEU 17 3HD2 LEU 17 1.999 8.895 2.058
163 H LEU 18 H LEU 18 6.717 4.622 1.675
164 HA LEU 18 HA LEU 18 8.810 5.701 3.308
165 HB2 LEU 18 2HB LEU 18 8.101 3.020 2.217
166 HB3 LEU 18 1HB LEU 18 9.746 3.280 2.759
167 HG LEU 18 HG LEU 18 9.027 3.710 5.003
168 HD11 LEU 18 2HD1 LEU 18 6.197 3.527 3.980
169 HD12 LEU 18 3HD1 LEU 18 7.006 4.989 4.546
170 HD13 LEU 18 1HD1 LEU 18 6.678 3.673 5.670
171 HD21 LEU 18 1HD2 LEU 18 7.949 1.588 5.557
172 HD22 LEU 18 2HD2 LEU 18 9.227 1.375 4.361
173 HD23 LEU 18 3HD2 LEU 18 7.536 1.357 3.858
174 H LYS 19 H LYS 19 8.312 5.307 -0.048
175 HA LYS 19 HA LYS 19 11.179 5.460 -0.610
176 HB2 LYS 19 2HB LYS 19 9.404 3.929 -1.843
177 HB3 LYS 19 1HB LYS 19 9.126 5.392 -2.778
178 HG2 LYS 19 2HG LYS 19 11.716 5.392 -3.041
179 HG3 LYS 19 1HG LYS 19 11.568 3.688 -2.613
180 HD2 LYS 19 2HD LYS 19 11.490 3.730 -4.959
181 HD3 LYS 19 1HD LYS 19 9.808 3.552 -4.454
182 HE2 LYS 19 2HE LYS 19 9.915 5.189 -6.209
183 HE3 LYS 19 1HE LYS 19 9.527 6.005 -4.696
184 HZ1 LYS 19 2HZ LYS 19 12.181 5.909 -6.020
185 HZ2 LYS 19 3HZ LYS 19 11.905 6.599 -4.496
186 HZ3 LYS 19 1HZ LYS 19 11.177 7.257 -5.881
187 H ILE 20 H ILE 20 9.291 7.659 0.427
188 HA ILE 20 HA ILE 20 9.445 9.645 -1.651
189 HB ILE 20 HB ILE 20 8.820 9.896 1.297
190 HG12 ILE 20 2HG1 ILE 20 7.117 8.730 -0.040
191 HG13 ILE 20 1HG1 ILE 20 6.529 10.295 0.515
192 HG21 ILE 20 1HG2 ILE 20 9.830 11.965 0.468
193 HG22 ILE 20 2HG2 ILE 20 8.117 12.180 0.830
194 HG23 ILE 20 3HG2 ILE 20 8.649 12.011 -0.841
195 HD11 ILE 20 2HD1 ILE 20 7.485 9.581 -2.244
196 HD12 ILE 20 3HD1 ILE 20 7.105 11.221 -1.721
197 HD13 ILE 20 1HD1 ILE 20 5.847 9.989 -1.745
198 H SER 21 H SER 21 11.246 8.773 1.227
199 HA SER 21 HA SER 21 13.181 10.857 0.960
200 HB2 SER 21 2HB SER 21 12.639 9.677 3.107
201 HB3 SER 21 1HB SER 21 13.421 8.237 2.463
202 HG SER 21 HG SER 21 14.633 10.769 2.908
203 H ASN 22 H ASN 22 12.768 7.647 -0.308
204 HA ASN 22 HA ASN 22 15.496 7.587 -1.353
205 HB2 ASN 22 2HB ASN 22 14.740 5.540 -0.270
206 HB3 ASN 22 1HB ASN 22 13.334 5.468 -1.327
207 HD21 ASN 22 1HD2 ASN 22 16.790 5.088 -1.127
208 HD22 ASN 22 2HD2 ASN 22 16.972 4.203 -2.600
Start of MODEL 4
1 H1 THR 1 1HT THR 1 -11.090 -11.531 -3.311
2 H2 THR 1 2HT THR 1 -10.077 -10.890 -2.118
3 H3 THR 1 3HT THR 1 -10.265 -10.081 -3.592
4 HA THR 1 HA THR 1 -12.651 -9.802 -3.078
5 HB THR 1 HB THR 1 -13.307 -10.016 -0.713
6 HG1 THR 1 1HG THR 1 -10.789 -11.341 -0.389
7 HG21 THR 1 1HG2 THR 1 -12.271 -12.588 -1.899
8 HG22 THR 1 2HG2 THR 1 -13.820 -11.834 -2.268
9 HG23 THR 1 3HG2 THR 1 -13.506 -12.454 -0.648
10 H ASP 2 H ASP 2 -13.305 -8.042 -1.277
11 HA ASP 2 HA ASP 2 -11.685 -5.798 -1.685
12 HB2 ASP 2 2HB ASP 2 -14.061 -5.636 -1.090
13 HB3 ASP 2 1HB ASP 2 -13.717 -6.291 0.506
14 H GLU 3 H GLU 3 -11.835 -8.099 0.975
15 HA GLU 3 HA GLU 3 -10.060 -6.856 2.745
16 HB2 GLU 3 2HB GLU 3 -10.606 -9.789 2.268
17 HB3 GLU 3 1HB GLU 3 -9.669 -9.169 3.619
18 HG2 GLU 3 2HG GLU 3 -11.611 -7.949 4.424
19 HG3 GLU 3 1HG GLU 3 -12.554 -8.534 3.054
20 H ASP 4 H ASP 4 -9.481 -9.087 0.063
21 HA ASP 4 HA ASP 4 -6.686 -9.351 0.442
22 HB2 ASP 4 2HB ASP 4 -8.327 -9.624 -2.087
23 HB3 ASP 4 1HB ASP 4 -6.648 -10.125 -1.920
24 H VAL 5 H VAL 5 -8.656 -7.175 -1.478
25 HA VAL 5 HA VAL 5 -6.547 -5.822 -2.759
26 HB VAL 5 HB VAL 5 -9.389 -5.012 -2.176
27 HG11 VAL 5 2HG1 VAL 5 -9.073 -3.198 -3.778
28 HG12 VAL 5 3HG1 VAL 5 -7.360 -3.602 -3.901
29 HG13 VAL 5 1HG1 VAL 5 -8.018 -3.009 -2.377
30 HG21 VAL 5 1HG2 VAL 5 -9.626 -5.420 -4.612
31 HG22 VAL 5 2HG2 VAL 5 -9.182 -6.860 -3.695
32 HG23 VAL 5 3HG2 VAL 5 -7.961 -6.001 -4.631
33 H LYS 6 H LYS 6 -8.332 -5.190 0.203
34 HA LYS 6 HA LYS 6 -7.286 -2.739 0.935
35 HB2 LYS 6 2HB LYS 6 -9.093 -4.290 1.997
36 HB3 LYS 6 1HB LYS 6 -7.751 -4.924 2.936
37 HG2 LYS 6 2HG LYS 6 -7.320 -2.739 3.858
38 HG3 LYS 6 1HG LYS 6 -8.585 -2.038 2.850
39 HD2 LYS 6 2HD LYS 6 -8.914 -4.031 5.088
40 HD3 LYS 6 1HD LYS 6 -9.489 -2.363 5.046
41 HE2 LYS 6 2HE LYS 6 -10.438 -4.632 3.298
42 HE3 LYS 6 1HE LYS 6 -11.321 -3.911 4.640
43 HZ1 LYS 6 2HZ LYS 6 -10.479 -2.379 2.249
44 HZ2 LYS 6 3HZ LYS 6 -11.566 -1.902 3.451
45 HZ3 LYS 6 1HZ LYS 6 -11.988 -3.143 2.374
46 H LYS 7 H LYS 7 -5.918 -5.930 1.128
47 HA LYS 7 HA LYS 7 -3.793 -5.401 2.902
48 HB2 LYS 7 2HB LYS 7 -4.581 -7.669 2.344
49 HB3 LYS 7 1HB LYS 7 -3.973 -7.473 0.708
50 HG2 LYS 7 2HG LYS 7 -1.695 -7.212 1.631
51 HG3 LYS 7 1HG LYS 7 -2.342 -7.536 3.238
52 HD2 LYS 7 2HD LYS 7 -2.770 -9.470 0.987
53 HD3 LYS 7 1HD LYS 7 -1.266 -9.471 1.904
54 HE2 LYS 7 2HE LYS 7 -2.684 -11.102 2.888
55 HE3 LYS 7 1HE LYS 7 -2.637 -9.725 3.985
56 HZ1 LYS 7 2HZ LYS 7 -4.817 -10.202 2.031
57 HZ2 LYS 7 3HZ LYS 7 -4.789 -9.052 3.272
58 HZ3 LYS 7 1HZ LYS 7 -4.873 -10.696 3.645
59 H TRP 8 H TRP 8 -3.811 -5.610 -0.682
60 HA TRP 8 HA TRP 8 -1.077 -4.811 -0.838
61 HB2 TRP 8 2HB TRP 8 -1.271 -4.949 -3.191
62 HB3 TRP 8 1HB TRP 8 -2.266 -6.241 -2.547
63 HD1 TRP 8 HD TRP 8 -4.729 -6.305 -3.268
64 HE1 TRP 8 1HE TRP 8 -6.207 -4.891 -4.826
65 HE3 TRP 8 3HE TRP 8 -1.618 -2.333 -3.897
66 HZ2 TRP 8 2HZ TRP 8 -6.065 -2.400 -6.137
67 HZ3 TRP 8 3HZ TRP 8 -2.358 -0.461 -5.322
68 HH2 TRP 8 HH TRP 8 -4.540 -0.497 -6.416
69 H ARG 9 H ARG 9 -4.133 -3.162 -0.942
70 HA ARG 9 HA ARG 9 -3.443 -0.841 -2.214
71 HB2 ARG 9 2HB ARG 9 -5.476 -1.570 -0.201
72 HB3 ARG 9 1HB ARG 9 -5.164 0.148 -0.409
73 HG2 ARG 9 2HG ARG 9 -5.616 -0.081 -2.811
74 HG3 ARG 9 1HG ARG 9 -5.985 -1.788 -2.558
75 HD2 ARG 9 2HD ARG 9 -7.837 -1.216 -1.121
76 HD3 ARG 9 1HD ARG 9 -7.425 0.496 -1.217
77 HE ARG 9 HE ARG 9 -7.787 -0.106 -3.788
78 HH11 ARG 9 1HH1 ARG 9 -9.741 -0.836 -0.983
79 HH12 ARG 9 2HH1 ARG 9 -11.236 -0.831 -1.866
80 HH21 ARG 9 1HH2 ARG 9 -9.755 -0.086 -4.947
81 HH22 ARG 9 2HH2 ARG 9 -11.244 -0.397 -4.114
82 H GLU 10 H GLU 10 -3.211 -1.487 1.270
83 HA GLU 10 HA GLU 10 -1.993 1.038 1.803
84 HB2 GLU 10 2HB GLU 10 -1.684 0.204 4.065
85 HB3 GLU 10 1HB GLU 10 -3.310 -0.126 3.490
86 HG2 GLU 10 2HG GLU 10 -2.777 -2.425 3.106
87 HG3 GLU 10 1HG GLU 10 -1.080 -2.141 3.486
88 H GLU 11 H GLU 11 -0.853 -2.114 0.960
89 HA GLU 11 HA GLU 11 1.793 -1.914 1.923
90 HB2 GLU 11 2HB GLU 11 0.851 -4.062 1.303
91 HB3 GLU 11 1HB GLU 11 0.635 -3.528 -0.356
92 HG2 GLU 11 2HG GLU 11 3.016 -3.426 -0.684
93 HG3 GLU 11 1HG GLU 11 3.297 -3.815 1.014
94 H ARG 12 H ARG 12 0.494 -1.505 -1.357
95 HA ARG 12 HA ARG 12 2.890 -0.501 -2.465
96 HB2 ARG 12 2HB ARG 12 0.027 -0.247 -3.378
97 HB3 ARG 12 1HB ARG 12 1.416 0.237 -4.341
98 HG2 ARG 12 2HG ARG 12 2.266 -2.078 -4.195
99 HG3 ARG 12 1HG ARG 12 0.781 -2.528 -3.358
100 HD2 ARG 12 2HD ARG 12 -0.530 -1.867 -5.293
101 HD3 ARG 12 1HD ARG 12 0.939 -1.354 -6.126
102 HE ARG 12 HE ARG 12 1.276 -4.002 -5.348
103 HH11 ARG 12 1HH1 ARG 12 -0.698 -2.139 -7.554
104 HH12 ARG 12 2HH1 ARG 12 -0.911 -3.442 -8.677
105 HH21 ARG 12 1HH2 ARG 12 1.006 -5.729 -6.815
106 HH22 ARG 12 2HH2 ARG 12 0.068 -5.494 -8.252
107 H LYS 13 H LYS 13 0.246 0.967 -0.782
108 HA LYS 13 HA LYS 13 0.730 3.667 -1.318
109 HB2 LYS 13 2HB LYS 13 -1.198 2.485 -0.022
110 HB3 LYS 13 1HB LYS 13 -0.139 2.637 1.372
111 HG2 LYS 13 2HG LYS 13 -1.631 4.470 1.410
112 HG3 LYS 13 1HG LYS 13 -0.045 5.090 0.947
113 HD2 LYS 13 2HD LYS 13 -0.824 4.861 -1.459
114 HD3 LYS 13 1HD LYS 13 -2.441 4.605 -0.801
115 HE2 LYS 13 2HE LYS 13 -0.710 7.009 -0.279
116 HE3 LYS 13 1HE LYS 13 -2.029 6.947 -1.441
117 HZ1 LYS 13 2HZ LYS 13 -3.556 6.505 0.384
118 HZ2 LYS 13 3HZ LYS 13 -2.733 7.958 0.626
119 HZ3 LYS 13 1HZ LYS 13 -2.284 6.580 1.493
120 H LYS 14 H LYS 14 1.926 1.582 1.305
121 HA LYS 14 HA LYS 14 3.589 3.533 2.494
122 HB2 LYS 14 2HB LYS 14 3.829 0.521 2.580
123 HB3 LYS 14 1HB LYS 14 4.631 1.644 3.670
124 HG2 LYS 14 2HG LYS 14 2.602 2.273 4.682
125 HG3 LYS 14 1HG LYS 14 1.645 1.518 3.407
126 HD2 LYS 14 2HD LYS 14 2.643 -0.680 4.119
127 HD3 LYS 14 1HD LYS 14 3.299 0.162 5.525
128 HE2 LYS 14 2HE LYS 14 1.071 0.777 6.236
129 HE3 LYS 14 1HE LYS 14 0.380 0.055 4.783
130 HZ1 LYS 14 2HZ LYS 14 0.094 -1.516 6.478
131 HZ2 LYS 14 3HZ LYS 14 1.672 -1.321 7.063
132 HZ3 LYS 14 1HZ LYS 14 1.404 -2.088 5.579
133 H MET 15 H MET 15 4.042 1.279 -0.130
134 HA MET 15 HA MET 15 6.813 1.177 -0.259
135 HB2 MET 15 2HB MET 15 4.790 1.077 -2.494
136 HB3 MET 15 1HB MET 15 6.500 0.732 -2.708
137 HG2 MET 15 2HG MET 15 6.295 -1.099 -1.068
138 HG3 MET 15 1HG MET 15 4.563 -0.782 -0.978
139 HE1 MET 15 2HE MET 15 7.529 -2.098 -3.141
140 HE2 MET 15 3HE MET 15 6.997 -0.722 -4.107
141 HE3 MET 15 1HE MET 15 6.770 -2.363 -4.711
142 H TRP 16 H TRP 16 4.621 3.486 -1.858
143 HA TRP 16 HA TRP 16 6.859 4.909 -2.968
144 HB2 TRP 16 2HB TRP 16 5.279 6.332 -4.037
145 HB3 TRP 16 1HB TRP 16 4.632 4.702 -4.111
146 HD1 TRP 16 HD TRP 16 2.313 4.254 -2.974
147 HE1 TRP 16 1HE TRP 16 0.546 5.800 -1.929
148 HE3 TRP 16 3HE TRP 16 5.090 8.521 -2.596
149 HZ2 TRP 16 2HZ TRP 16 0.359 8.488 -1.049
150 HZ3 TRP 16 3HZ TRP 16 4.048 10.532 -1.645
151 HH2 TRP 16 HH TRP 16 1.740 10.507 -0.879
152 H LEU 17 H LEU 17 4.753 5.244 -0.196
153 HA LEU 17 HA LEU 17 5.319 7.918 0.476
154 HB2 LEU 17 2HB LEU 17 4.416 5.518 2.024
155 HB3 LEU 17 1HB LEU 17 4.803 7.004 2.867
156 HG LEU 17 HG LEU 17 2.775 6.877 0.639
157 HD11 LEU 17 2HD1 LEU 17 2.304 6.682 3.615
158 HD12 LEU 17 3HD1 LEU 17 2.082 5.377 2.449
159 HD13 LEU 17 1HD1 LEU 17 1.060 6.812 2.372
160 HD21 LEU 17 1HD2 LEU 17 3.681 9.087 1.131
161 HD22 LEU 17 2HD2 LEU 17 3.303 8.877 2.839
162 HD23 LEU 17 3HD2 LEU 17 2.001 8.973 1.655
163 H LEU 18 H LEU 18 6.747 4.881 1.629
164 HA LEU 18 HA LEU 18 8.666 6.141 3.308
165 HB2 LEU 18 2HB LEU 18 8.225 3.346 2.322
166 HB3 LEU 18 1HB LEU 18 9.702 3.750 3.172
167 HG LEU 18 HG LEU 18 8.481 4.303 5.176
168 HD11 LEU 18 2HD1 LEU 18 6.057 4.093 5.340
169 HD12 LEU 18 3HD1 LEU 18 5.961 3.753 3.612
170 HD13 LEU 18 1HD1 LEU 18 6.505 5.335 4.171
171 HD21 LEU 18 1HD2 LEU 18 8.997 1.948 4.775
172 HD22 LEU 18 2HD2 LEU 18 7.436 1.746 3.980
173 HD23 LEU 18 3HD2 LEU 18 7.507 2.138 5.697
174 H LYS 19 H LYS 19 8.607 5.213 -0.030
175 HA LYS 19 HA LYS 19 11.421 5.118 -0.420
176 HB2 LYS 19 2HB LYS 19 9.777 4.013 -1.911
177 HB3 LYS 19 1HB LYS 19 9.233 5.591 -2.451
178 HG2 LYS 19 2HG LYS 19 12.117 4.926 -2.730
179 HG3 LYS 19 1HG LYS 19 10.967 4.169 -3.831
180 HD2 LYS 19 2HD LYS 19 11.216 7.144 -3.385
181 HD3 LYS 19 1HD LYS 19 11.957 6.263 -4.722
182 HE2 LYS 19 2HE LYS 19 9.697 5.513 -5.414
183 HE3 LYS 19 1HE LYS 19 9.007 6.514 -4.138
184 HZ1 LYS 19 2HZ LYS 19 8.965 7.615 -6.295
185 HZ2 LYS 19 3HZ LYS 19 10.650 7.518 -6.397
186 HZ3 LYS 19 1HZ LYS 19 9.928 8.462 -5.193
187 H ILE 20 H ILE 20 8.990 7.670 -0.689
188 HA ILE 20 HA ILE 20 10.676 9.576 -1.927
189 HB ILE 20 HB ILE 20 8.180 9.930 -0.272
190 HG12 ILE 20 2HG1 ILE 20 8.727 10.080 -3.245
191 HG13 ILE 20 1HG1 ILE 20 7.851 8.802 -2.409
192 HG21 ILE 20 1HG2 ILE 20 9.517 11.956 -0.082
193 HG22 ILE 20 2HG2 ILE 20 8.100 12.238 -1.093
194 HG23 ILE 20 3HG2 ILE 20 9.684 12.026 -1.837
195 HD11 ILE 20 2HD1 ILE 20 6.987 11.675 -2.647
196 HD12 ILE 20 3HD1 ILE 20 6.109 10.401 -1.801
197 HD13 ILE 20 1HD1 ILE 20 6.335 10.308 -3.549
198 H SER 21 H SER 21 10.046 8.762 1.430
199 HA SER 21 HA SER 21 11.548 10.963 2.470
200 HB2 SER 21 2HB SER 21 11.365 9.434 4.607
201 HB3 SER 21 1HB SER 21 9.946 10.269 3.977
202 HG SER 21 HG SER 21 10.681 7.550 3.601
203 H ASN 22 H ASN 22 12.411 7.994 1.107
204 HA ASN 22 HA ASN 22 14.952 7.858 2.537
205 HB2 ASN 22 2HB ASN 22 13.794 5.739 2.139
206 HB3 ASN 22 1HB ASN 22 13.793 6.045 0.407
207 HD21 ASN 22 1HD2 ASN 22 15.737 5.204 3.169
208 HD22 ASN 22 2HD2 ASN 22 17.105 4.633 2.277
Start of MODEL 5
1 H1 THR 1 1HT THR 1 -11.165 -11.572 -3.359
2 H2 THR 1 2HT THR 1 -10.016 -10.687 -2.492
3 H3 THR 1 3HT THR 1 -10.663 -10.057 -3.925
4 HA THR 1 HA THR 1 -12.852 -9.967 -2.894
5 HB THR 1 HB THR 1 -11.383 -10.621 -0.333
6 HG1 THR 1 1HG THR 1 -13.161 -12.507 -0.975
7 HG21 THR 1 1HG2 THR 1 -14.333 -10.465 -0.963
8 HG22 THR 1 2HG2 THR 1 -13.409 -9.267 -0.058
9 HG23 THR 1 3HG2 THR 1 -13.631 -10.889 0.598
10 H ASP 2 H ASP 2 -13.453 -8.057 -1.482
11 HA ASP 2 HA ASP 2 -11.943 -5.814 -2.100
12 HB2 ASP 2 2HB ASP 2 -13.981 -6.261 0.082
13 HB3 ASP 2 1HB ASP 2 -13.272 -4.684 -0.247
14 H GLU 3 H GLU 3 -11.956 -7.728 0.868
15 HA GLU 3 HA GLU 3 -10.265 -6.119 2.393
16 HB2 GLU 3 2HB GLU 3 -10.623 -9.114 2.474
17 HB3 GLU 3 1HB GLU 3 -9.835 -8.158 3.723
18 HG2 GLU 3 2HG GLU 3 -12.718 -8.047 2.882
19 HG3 GLU 3 1HG GLU 3 -12.065 -8.602 4.423
20 H ASP 4 H ASP 4 -9.530 -8.452 -0.103
21 HA ASP 4 HA ASP 4 -6.742 -8.634 0.425
22 HB2 ASP 4 2HB ASP 4 -8.232 -9.110 -2.163
23 HB3 ASP 4 1HB ASP 4 -6.568 -9.582 -1.842
24 H VAL 5 H VAL 5 -8.766 -6.434 -1.342
25 HA VAL 5 HA VAL 5 -6.712 -5.058 -2.716
26 HB VAL 5 HB VAL 5 -9.434 -4.095 -1.841
27 HG11 VAL 5 2HG1 VAL 5 -7.459 -2.864 -3.762
28 HG12 VAL 5 3HG1 VAL 5 -7.936 -2.218 -2.193
29 HG13 VAL 5 1HG1 VAL 5 -9.115 -2.310 -3.501
30 HG21 VAL 5 1HG2 VAL 5 -9.550 -5.963 -3.374
31 HG22 VAL 5 2HG2 VAL 5 -8.412 -5.169 -4.464
32 HG23 VAL 5 3HG2 VAL 5 -10.015 -4.479 -4.209
33 H LYS 6 H LYS 6 -8.350 -4.510 0.375
34 HA LYS 6 HA LYS 6 -6.980 -2.261 1.240
35 HB2 LYS 6 2HB LYS 6 -8.120 -4.613 2.727
36 HB3 LYS 6 1HB LYS 6 -7.244 -3.360 3.590
37 HG2 LYS 6 2HG LYS 6 -9.568 -2.893 3.763
38 HG3 LYS 6 1HG LYS 6 -8.860 -1.697 2.679
39 HD2 LYS 6 2HD LYS 6 -9.751 -2.792 0.765
40 HD3 LYS 6 1HD LYS 6 -10.230 -4.197 1.714
41 HE2 LYS 6 2HE LYS 6 -11.357 -1.421 2.038
42 HE3 LYS 6 1HE LYS 6 -12.128 -2.726 1.139
43 HZ1 LYS 6 2HZ LYS 6 -12.224 -4.025 3.192
44 HZ2 LYS 6 3HZ LYS 6 -13.044 -2.550 3.354
45 HZ3 LYS 6 1HZ LYS 6 -11.514 -2.746 4.045
46 H LYS 7 H LYS 7 -5.958 -5.581 1.052
47 HA LYS 7 HA LYS 7 -3.664 -5.435 2.699
48 HB2 LYS 7 2HB LYS 7 -4.243 -7.236 0.346
49 HB3 LYS 7 1HB LYS 7 -2.902 -7.449 1.460
50 HG2 LYS 7 2HG LYS 7 -4.441 -7.853 3.280
51 HG3 LYS 7 1HG LYS 7 -5.813 -7.553 2.207
52 HD2 LYS 7 2HD LYS 7 -5.056 -9.430 0.784
53 HD3 LYS 7 1HD LYS 7 -3.772 -9.753 1.947
54 HE2 LYS 7 2HE LYS 7 -5.363 -10.274 3.661
55 HE3 LYS 7 1HE LYS 7 -6.703 -9.750 2.643
56 HZ1 LYS 7 2HZ LYS 7 -6.341 -11.584 1.182
57 HZ2 LYS 7 3HZ LYS 7 -6.414 -12.190 2.765
58 HZ3 LYS 7 1HZ LYS 7 -4.919 -12.028 1.991
59 H TRP 8 H TRP 8 -3.962 -5.338 -0.866
60 HA TRP 8 HA TRP 8 -1.178 -4.827 -1.129
61 HB2 TRP 8 2HB TRP 8 -1.493 -4.764 -3.469
62 HB3 TRP 8 1HB TRP 8 -2.620 -5.968 -2.875
63 HD1 TRP 8 HD TRP 8 -5.084 -5.676 -3.519
64 HE1 TRP 8 1HE TRP 8 -6.428 -3.950 -4.869
65 HE3 TRP 8 3HE TRP 8 -1.547 -2.043 -3.897
66 HZ2 TRP 8 2HZ TRP 8 -6.028 -1.378 -5.946
67 HZ3 TRP 8 3HZ TRP 8 -2.106 0.027 -5.102
68 HH2 TRP 8 HH TRP 8 -4.301 0.355 -6.105
69 H ARG 9 H ARG 9 -4.036 -2.870 -0.909
70 HA ARG 9 HA ARG 9 -3.116 -0.527 -2.040
71 HB2 ARG 9 2HB ARG 9 -5.199 -1.175 -0.032
72 HB3 ARG 9 1HB ARG 9 -4.711 0.509 -0.166
73 HG2 ARG 9 2HG ARG 9 -5.205 0.385 -2.602
74 HG3 ARG 9 1HG ARG 9 -5.845 -1.238 -2.335
75 HD2 ARG 9 2HD ARG 9 -7.507 -0.359 -0.806
76 HD3 ARG 9 1HD ARG 9 -6.837 1.262 -0.975
77 HE ARG 9 HE ARG 9 -7.715 0.028 -3.444
78 HH11 ARG 9 1HH1 ARG 9 -8.564 2.080 -0.745
79 HH12 ARG 9 2HH1 ARG 9 -9.875 2.850 -1.575
80 HH21 ARG 9 1HH2 ARG 9 -9.432 1.030 -4.549
81 HH22 ARG 9 2HH2 ARG 9 -10.369 2.255 -3.754
82 H GLU 10 H GLU 10 -2.965 -1.523 1.356
83 HA GLU 10 HA GLU 10 -1.472 0.782 2.121
84 HB2 GLU 10 2HB GLU 10 -1.291 -0.282 4.293
85 HB3 GLU 10 1HB GLU 10 -2.936 -0.392 3.685
86 HG2 GLU 10 2HG GLU 10 -2.594 -2.695 3.066
87 HG3 GLU 10 1HG GLU 10 -0.905 -2.607 3.561
88 H GLU 11 H GLU 11 -0.686 -2.449 1.060
89 HA GLU 11 HA GLU 11 1.995 -2.542 1.896
90 HB2 GLU 11 2HB GLU 11 0.844 -4.531 1.112
91 HB3 GLU 11 1HB GLU 11 0.655 -3.826 -0.488
92 HG2 GLU 11 2HG GLU 11 3.057 -3.863 -0.814
93 HG3 GLU 11 1HG GLU 11 3.281 -4.505 0.812
94 H ARG 12 H ARG 12 0.638 -1.682 -1.284
95 HA ARG 12 HA ARG 12 3.097 -0.771 -2.350
96 HB2 ARG 12 2HB ARG 12 0.231 -0.337 -3.157
97 HB3 ARG 12 1HB ARG 12 1.563 0.397 -4.038
98 HG2 ARG 12 2HG ARG 12 2.492 -1.829 -4.474
99 HG3 ARG 12 1HG ARG 12 1.135 -2.553 -3.612
100 HD2 ARG 12 2HD ARG 12 0.786 -2.641 -6.017
101 HD3 ARG 12 1HD ARG 12 -0.414 -1.607 -5.250
102 HE ARG 12 HE ARG 12 1.759 -0.042 -6.124
103 HH11 ARG 12 1HH1 ARG 12 -0.938 -1.879 -7.386
104 HH12 ARG 12 2HH1 ARG 12 -1.111 -0.898 -8.807
105 HH21 ARG 12 1HH2 ARG 12 1.554 1.245 -8.013
106 HH22 ARG 12 2HH2 ARG 12 0.318 0.869 -9.173
107 H LYS 13 H LYS 13 0.597 0.739 -0.453
108 HA LYS 13 HA LYS 13 1.306 3.429 -0.769
109 HB2 LYS 13 2HB LYS 13 -0.540 2.061 0.738
110 HB3 LYS 13 1HB LYS 13 0.572 2.646 1.967
111 HG2 LYS 13 2HG LYS 13 -1.094 4.286 1.782
112 HG3 LYS 13 1HG LYS 13 0.304 4.936 0.921
113 HD2 LYS 13 2HD LYS 13 -0.697 4.092 -1.200
114 HD3 LYS 13 1HD LYS 13 -2.134 3.632 -0.286
115 HE2 LYS 13 2HE LYS 13 -2.384 5.992 0.416
116 HE3 LYS 13 1HE LYS 13 -1.015 6.409 -0.615
117 HZ1 LYS 13 2HZ LYS 13 -3.617 5.284 -1.498
118 HZ2 LYS 13 3HZ LYS 13 -2.288 5.534 -2.516
119 HZ3 LYS 13 1HZ LYS 13 -3.046 6.851 -1.773
120 H LYS 14 H LYS 14 2.404 1.012 1.582
121 HA LYS 14 HA LYS 14 4.267 2.650 2.906
122 HB2 LYS 14 2HB LYS 14 4.329 -0.353 2.561
123 HB3 LYS 14 1HB LYS 14 5.244 0.559 3.751
124 HG2 LYS 14 2HG LYS 14 2.247 0.318 3.609
125 HG3 LYS 14 1HG LYS 14 3.312 -0.479 4.766
126 HD2 LYS 14 2HD LYS 14 3.993 1.703 5.638
127 HD3 LYS 14 1HD LYS 14 2.927 2.498 4.481
128 HE2 LYS 14 2HE LYS 14 1.875 2.369 6.669
129 HE3 LYS 14 1HE LYS 14 0.999 1.388 5.495
130 HZ1 LYS 14 2HZ LYS 14 1.262 0.238 7.599
131 HZ2 LYS 14 3HZ LYS 14 2.944 0.360 7.489
132 HZ3 LYS 14 1HZ LYS 14 2.088 -0.576 6.371
133 H MET 15 H MET 15 4.447 0.786 -0.034
134 HA MET 15 HA MET 15 7.238 0.642 -0.284
135 HB2 MET 15 2HB MET 15 5.125 0.760 -2.444
136 HB3 MET 15 1HB MET 15 6.812 0.350 -2.719
137 HG2 MET 15 2HG MET 15 6.566 -1.600 -1.253
138 HG3 MET 15 1HG MET 15 4.868 -1.189 -1.012
139 HE1 MET 15 2HE MET 15 6.684 -2.537 -5.037
140 HE2 MET 15 3HE MET 15 7.598 -2.367 -3.538
141 HE3 MET 15 1HE MET 15 6.979 -0.936 -4.362
142 H TRP 16 H TRP 16 4.929 3.047 -1.575
143 HA TRP 16 HA TRP 16 7.090 4.605 -2.650
144 HB2 TRP 16 2HB TRP 16 5.451 6.106 -3.496
145 HB3 TRP 16 1HB TRP 16 4.804 4.486 -3.683
146 HD1 TRP 16 HD TRP 16 2.518 3.956 -2.547
147 HE1 TRP 16 1HE TRP 16 0.825 5.362 -1.229
148 HE3 TRP 16 3HE TRP 16 5.374 8.109 -1.721
149 HZ2 TRP 16 2HZ TRP 16 0.714 7.895 0.006
150 HZ3 TRP 16 3HZ TRP 16 4.400 9.979 -0.460
151 HH2 TRP 16 HH TRP 16 2.124 9.864 0.393
152 H LEU 17 H LEU 17 5.229 4.593 0.291
153 HA LEU 17 HA LEU 17 5.779 7.207 1.167
154 HB2 LEU 17 2HB LEU 17 5.116 4.649 2.573
155 HB3 LEU 17 1HB LEU 17 5.536 6.076 3.499
156 HG LEU 17 HG LEU 17 3.319 6.060 1.456
157 HD11 LEU 17 2HD1 LEU 17 1.778 5.844 3.356
158 HD12 LEU 17 3HD1 LEU 17 3.149 5.577 4.431
159 HD13 LEU 17 1HD1 LEU 17 2.786 4.410 3.161
160 HD21 LEU 17 1HD2 LEU 17 3.980 7.894 3.761
161 HD22 LEU 17 2HD2 LEU 17 2.585 8.041 2.694
162 HD23 LEU 17 3HD2 LEU 17 4.211 8.251 2.050
163 H LEU 18 H LEU 18 7.649 4.249 1.319
164 HA LEU 18 HA LEU 18 9.695 5.404 2.994
165 HB2 LEU 18 2HB LEU 18 9.256 2.779 1.650
166 HB3 LEU 18 1HB LEU 18 10.883 3.204 2.139
167 HG LEU 18 HG LEU 18 10.241 3.312 4.452
168 HD11 LEU 18 2HD1 LEU 18 8.014 4.294 4.192
169 HD12 LEU 18 3HD1 LEU 18 7.974 2.860 5.219
170 HD13 LEU 18 1HD1 LEU 18 7.416 2.765 3.549
171 HD21 LEU 18 1HD2 LEU 18 9.071 0.889 3.108
172 HD22 LEU 18 2HD2 LEU 18 9.525 1.000 4.809
173 HD23 LEU 18 3HD2 LEU 18 10.760 1.120 3.556
174 H LYS 19 H LYS 19 8.945 5.472 -0.303
175 HA LYS 19 HA LYS 19 11.727 5.931 -1.092
176 HB2 LYS 19 2HB LYS 19 9.250 5.746 -2.816
177 HB3 LYS 19 1HB LYS 19 10.903 5.867 -3.400
178 HG2 LYS 19 2HG LYS 19 9.817 3.588 -1.758
179 HG3 LYS 19 1HG LYS 19 9.989 3.583 -3.511
180 HD2 LYS 19 2HD LYS 19 12.266 3.969 -1.573
181 HD3 LYS 19 1HD LYS 19 11.838 2.429 -2.315
182 HE2 LYS 19 2HE LYS 19 12.187 3.457 -4.542
183 HE3 LYS 19 1HE LYS 19 12.720 4.935 -3.743
184 HZ1 LYS 19 2HZ LYS 19 14.012 2.273 -3.524
185 HZ2 LYS 19 3HZ LYS 19 14.516 3.671 -2.715
186 HZ3 LYS 19 1HZ LYS 19 14.597 3.592 -4.403
187 H ILE 20 H ILE 20 8.584 7.564 -1.106
188 HA ILE 20 HA ILE 20 9.809 9.946 -2.267
189 HB ILE 20 HB ILE 20 6.905 9.473 -1.585
190 HG12 ILE 20 2HG1 ILE 20 8.349 9.092 -4.216
191 HG13 ILE 20 1HG1 ILE 20 7.709 7.804 -3.204
192 HG21 ILE 20 1HG2 ILE 20 8.226 11.491 -3.393
193 HG22 ILE 20 2HG2 ILE 20 7.496 11.822 -1.822
194 HG23 ILE 20 3HG2 ILE 20 6.489 11.292 -3.170
195 HD11 ILE 20 2HD1 ILE 20 6.096 9.930 -4.598
196 HD12 ILE 20 3HD1 ILE 20 5.443 8.652 -3.573
197 HD13 ILE 20 1HD1 ILE 20 6.250 8.243 -5.087
198 H SER 21 H SER 21 8.419 8.824 0.734
199 HA SER 21 HA SER 21 8.349 11.548 1.796
200 HB2 SER 21 2HB SER 21 6.365 10.080 2.106
201 HB3 SER 21 1HB SER 21 7.357 8.978 3.056
202 HG SER 21 HG SER 21 7.761 11.237 4.197
203 H ASN 22 H ASN 22 10.599 9.229 1.508
204 HA ASN 22 HA ASN 22 11.790 9.762 4.140
205 HB2 ASN 22 2HB ASN 22 11.490 7.367 3.615
206 HB3 ASN 22 1HB ASN 22 12.474 7.571 2.169
207 HD21 ASN 22 1HD2 ASN 22 12.467 7.404 5.628
208 HD22 ASN 22 2HD2 ASN 22 14.177 7.237 5.825
Start of MODEL 6
1 H1 THR 1 1HT THR 1 -10.151 -12.321 -2.057
2 H2 THR 1 2HT THR 1 -9.201 -11.238 -1.176
3 H3 THR 1 3HT THR 1 -9.696 -10.843 -2.743
4 HA THR 1 HA THR 1 -12.035 -10.925 -1.956
5 HB THR 1 HB THR 1 -12.437 -10.781 0.432
6 HG1 THR 1 1HG THR 1 -9.718 -11.394 0.974
7 HG21 THR 1 1HG2 THR 1 -10.653 -13.138 -0.178
8 HG22 THR 1 2HG2 THR 1 -12.374 -13.033 -0.539
9 HG23 THR 1 3HG2 THR 1 -11.825 -13.040 1.136
10 H ASP 2 H ASP 2 -12.888 -8.918 -0.550
11 HA ASP 2 HA ASP 2 -11.698 -6.575 -1.552
12 HB2 ASP 2 2HB ASP 2 -14.041 -6.629 -0.851
13 HB3 ASP 2 1HB ASP 2 -13.553 -6.923 0.816
14 H GLU 3 H GLU 3 -11.425 -8.239 1.524
15 HA GLU 3 HA GLU 3 -9.854 -6.414 2.934
16 HB2 GLU 3 2HB GLU 3 -9.751 -9.434 3.057
17 HB3 GLU 3 1HB GLU 3 -9.165 -8.332 4.293
18 HG2 GLU 3 2HG GLU 3 -11.414 -7.569 4.729
19 HG3 GLU 3 1HG GLU 3 -12.036 -8.571 3.418
20 H ASP 4 H ASP 4 -8.970 -8.998 0.702
21 HA ASP 4 HA ASP 4 -6.160 -8.729 1.015
22 HB2 ASP 4 2HB ASP 4 -7.766 -9.939 -1.241
23 HB3 ASP 4 1HB ASP 4 -6.015 -10.050 -1.094
24 H VAL 5 H VAL 5 -8.517 -7.167 -1.050
25 HA VAL 5 HA VAL 5 -6.584 -5.978 -2.769
26 HB VAL 5 HB VAL 5 -9.460 -5.242 -2.250
27 HG11 VAL 5 2HG1 VAL 5 -9.273 -3.794 -4.218
28 HG12 VAL 5 3HG1 VAL 5 -7.545 -4.145 -4.309
29 HG13 VAL 5 1HG1 VAL 5 -8.193 -3.265 -2.926
30 HG21 VAL 5 1HG2 VAL 5 -8.046 -6.648 -4.508
31 HG22 VAL 5 2HG2 VAL 5 -9.744 -6.170 -4.532
32 HG23 VAL 5 3HG2 VAL 5 -9.180 -7.364 -3.362
33 H LYS 6 H LYS 6 -8.483 -4.726 -0.028
34 HA LYS 6 HA LYS 6 -7.282 -2.235 0.183
35 HB2 LYS 6 2HB LYS 6 -9.266 -2.957 1.441
36 HB3 LYS 6 1HB LYS 6 -8.274 -4.063 2.377
37 HG2 LYS 6 2HG LYS 6 -7.072 -2.223 3.352
38 HG3 LYS 6 1HG LYS 6 -7.951 -1.079 2.339
39 HD2 LYS 6 2HD LYS 6 -9.232 -2.909 4.367
40 HD3 LYS 6 1HD LYS 6 -8.827 -1.216 4.662
41 HE2 LYS 6 2HE LYS 6 -10.318 -0.533 2.858
42 HE3 LYS 6 1HE LYS 6 -10.697 -2.219 2.517
43 HZ1 LYS 6 2HZ LYS 6 -11.306 -0.783 5.038
44 HZ2 LYS 6 3HZ LYS 6 -11.655 -2.408 4.727
45 HZ3 LYS 6 1HZ LYS 6 -12.420 -1.192 3.836
46 H LYS 7 H LYS 7 -6.260 -5.391 1.168
47 HA LYS 7 HA LYS 7 -4.106 -4.815 2.843
48 HB2 LYS 7 2HB LYS 7 -5.113 -7.041 2.528
49 HB3 LYS 7 1HB LYS 7 -4.448 -7.103 0.903
50 HG2 LYS 7 2HG LYS 7 -2.179 -7.017 1.865
51 HG3 LYS 7 1HG LYS 7 -2.896 -7.071 3.479
52 HD2 LYS 7 2HD LYS 7 -3.293 -9.163 1.340
53 HD3 LYS 7 1HD LYS 7 -2.145 -9.293 2.672
54 HE2 LYS 7 2HE LYS 7 -3.922 -9.280 4.283
55 HE3 LYS 7 1HE LYS 7 -5.114 -8.925 3.036
56 HZ1 LYS 7 2HZ LYS 7 -3.484 -11.384 2.958
57 HZ2 LYS 7 3HZ LYS 7 -4.941 -11.060 2.155
58 HZ3 LYS 7 1HZ LYS 7 -4.930 -11.308 3.829
59 H TRP 8 H TRP 8 -4.028 -5.541 -0.677
60 HA TRP 8 HA TRP 8 -1.266 -4.826 -0.831
61 HB2 TRP 8 2HB TRP 8 -1.368 -5.268 -3.150
62 HB3 TRP 8 1HB TRP 8 -2.359 -6.477 -2.363
63 HD1 TRP 8 HD TRP 8 -4.812 -6.659 -3.100
64 HE1 TRP 8 1HE TRP 8 -6.249 -5.534 -4.908
65 HE3 TRP 8 3HE TRP 8 -1.692 -2.842 -4.279
66 HZ2 TRP 8 2HZ TRP 8 -6.069 -3.292 -6.612
67 HZ3 TRP 8 3HZ TRP 8 -2.393 -1.231 -6.012
68 HH2 TRP 8 HH TRP 8 -4.534 -1.455 -7.152
69 H ARG 9 H ARG 9 -4.281 -3.179 -1.264
70 HA ARG 9 HA ARG 9 -3.399 -1.048 -2.774
71 HB2 ARG 9 2HB ARG 9 -5.675 -1.449 -0.916
72 HB3 ARG 9 1HB ARG 9 -5.290 0.204 -1.382
73 HG2 ARG 9 2HG ARG 9 -5.463 -0.476 -3.753
74 HG3 ARG 9 1HG ARG 9 -5.966 -2.081 -3.219
75 HD2 ARG 9 2HD ARG 9 -7.911 -1.129 -2.121
76 HD3 ARG 9 1HD ARG 9 -7.393 0.496 -2.568
77 HE ARG 9 HE ARG 9 -7.556 -0.697 -4.954
78 HH11 ARG 9 1HH1 ARG 9 -9.789 -0.584 -2.266
79 HH12 ARG 9 2HH1 ARG 9 -11.195 -0.770 -3.263
80 HH21 ARG 9 1HH2 ARG 9 -9.407 -0.941 -6.271
81 HH22 ARG 9 2HH2 ARG 9 -10.979 -0.975 -5.538
82 H GLU 10 H GLU 10 -3.536 -1.375 0.752
83 HA GLU 10 HA GLU 10 -2.228 1.129 1.183
84 HB2 GLU 10 2HB GLU 10 -2.151 0.493 3.515
85 HB3 GLU 10 1HB GLU 10 -3.736 0.142 2.844
86 HG2 GLU 10 2HG GLU 10 -3.192 -2.200 2.691
87 HG3 GLU 10 1HG GLU 10 -1.554 -1.882 3.255
88 H GLU 11 H GLU 11 -1.216 -2.169 0.730
89 HA GLU 11 HA GLU 11 1.391 -2.043 1.738
90 HB2 GLU 11 2HB GLU 11 0.306 -4.139 1.114
91 HB3 GLU 11 1HB GLU 11 0.299 -3.651 -0.573
92 HG2 GLU 11 2HG GLU 11 2.682 -3.772 -0.688
93 HG3 GLU 11 1HG GLU 11 2.794 -4.059 1.049
94 H ARG 12 H ARG 12 0.273 -1.608 -1.619
95 HA ARG 12 HA ARG 12 2.785 -0.842 -2.638
96 HB2 ARG 12 2HB ARG 12 -0.031 -0.500 -3.619
97 HB3 ARG 12 1HB ARG 12 1.321 0.211 -4.494
98 HG2 ARG 12 2HG ARG 12 2.326 -1.984 -4.759
99 HG3 ARG 12 1HG ARG 12 1.010 -2.709 -3.832
100 HD2 ARG 12 2HD ARG 12 0.688 -3.000 -6.236
101 HD3 ARG 12 1HD ARG 12 -0.588 -2.019 -5.526
102 HE ARG 12 HE ARG 12 1.361 -0.279 -6.471
103 HH11 ARG 12 1HH1 ARG 12 -0.817 -2.684 -7.777
104 HH12 ARG 12 2HH1 ARG 12 -1.025 -1.865 -9.294
105 HH21 ARG 12 1HH2 ARG 12 1.091 0.815 -8.455
106 HH22 ARG 12 2HH2 ARG 12 0.078 0.127 -9.686
107 H LYS 13 H LYS 13 0.238 0.961 -1.078
108 HA LYS 13 HA LYS 13 1.204 3.551 -1.666
109 HB2 LYS 13 2HB LYS 13 -0.818 2.372 0.050
110 HB3 LYS 13 1HB LYS 13 0.006 3.701 0.852
111 HG2 LYS 13 2HG LYS 13 -2.021 4.405 -0.354
112 HG3 LYS 13 1HG LYS 13 -0.560 5.203 -0.939
113 HD2 LYS 13 2HD LYS 13 -0.460 3.566 -2.796
114 HD3 LYS 13 1HD LYS 13 -1.981 2.873 -2.227
115 HE2 LYS 13 2HE LYS 13 -3.127 4.957 -2.620
116 HE3 LYS 13 1HE LYS 13 -1.610 5.747 -3.053
117 HZ1 LYS 13 2HZ LYS 13 -2.967 5.088 -4.986
118 HZ2 LYS 13 3HZ LYS 13 -2.792 3.466 -4.541
119 HZ3 LYS 13 1HZ LYS 13 -1.435 4.373 -4.985
120 H LYS 14 H LYS 14 1.749 1.372 1.075
121 HA LYS 14 HA LYS 14 3.460 3.017 2.551
122 HB2 LYS 14 2HB LYS 14 3.394 0.007 2.313
123 HB3 LYS 14 1HB LYS 14 4.336 0.882 3.513
124 HG2 LYS 14 2HG LYS 14 2.394 1.704 4.575
125 HG3 LYS 14 1HG LYS 14 1.361 1.175 3.246
126 HD2 LYS 14 2HD LYS 14 1.898 -1.154 3.763
127 HD3 LYS 14 1HD LYS 14 2.914 -0.620 5.104
128 HE2 LYS 14 2HE LYS 14 1.005 0.350 6.212
129 HE3 LYS 14 1HE LYS 14 -0.028 -0.043 4.839
130 HZ1 LYS 14 2HZ LYS 14 0.636 -2.434 5.294
131 HZ2 LYS 14 3HZ LYS 14 -0.433 -1.714 6.390
132 HZ3 LYS 14 1HZ LYS 14 1.207 -1.892 6.789
133 H MET 15 H MET 15 4.074 0.928 -0.197
134 HA MET 15 HA MET 15 6.854 0.774 -0.052
135 HB2 MET 15 2HB MET 15 5.134 0.890 -2.533
136 HB3 MET 15 1HB MET 15 6.801 0.346 -2.479
137 HG2 MET 15 2HG MET 15 4.486 -0.974 -1.079
138 HG3 MET 15 1HG MET 15 5.192 -1.498 -2.602
139 HE1 MET 15 2HE MET 15 5.107 -1.972 1.120
140 HE2 MET 15 3HE MET 15 6.251 -0.631 1.147
141 HE3 MET 15 1HE MET 15 6.777 -2.245 1.619
142 H TRP 16 H TRP 16 4.831 3.164 -1.775
143 HA TRP 16 HA TRP 16 7.175 4.643 -2.549
144 HB2 TRP 16 2HB TRP 16 5.714 6.122 -3.726
145 HB3 TRP 16 1HB TRP 16 5.152 4.483 -3.986
146 HD1 TRP 16 HD TRP 16 2.707 3.896 -3.245
147 HE1 TRP 16 1HE TRP 16 0.755 5.306 -2.351
148 HE3 TRP 16 3HE TRP 16 5.234 8.199 -2.162
149 HZ2 TRP 16 2HZ TRP 16 0.339 7.894 -1.317
150 HZ3 TRP 16 3HZ TRP 16 3.981 10.094 -1.220
151 HH2 TRP 16 HH TRP 16 1.591 9.934 -0.802
152 H LEU 17 H LEU 17 4.825 4.804 0.009
153 HA LEU 17 HA LEU 17 5.162 7.486 0.780
154 HB2 LEU 17 2HB LEU 17 4.320 5.009 2.247
155 HB3 LEU 17 1HB LEU 17 4.516 6.525 3.105
156 HG LEU 17 HG LEU 17 2.704 6.227 0.712
157 HD11 LEU 17 2HD1 LEU 17 0.855 6.086 2.318
158 HD12 LEU 17 3HD1 LEU 17 2.013 6.005 3.644
159 HD13 LEU 17 1HD1 LEU 17 1.940 4.704 2.456
160 HD21 LEU 17 1HD2 LEU 17 2.919 8.289 2.905
161 HD22 LEU 17 2HD2 LEU 17 1.683 8.264 1.648
162 HD23 LEU 17 3HD2 LEU 17 3.376 8.502 1.214
163 H LEU 18 H LEU 18 6.859 4.542 1.735
164 HA LEU 18 HA LEU 18 8.595 5.821 3.590
165 HB2 LEU 18 2HB LEU 18 8.513 3.155 2.240
166 HB3 LEU 18 1HB LEU 18 9.966 3.638 3.090
167 HG LEU 18 HG LEU 18 8.743 3.802 5.185
168 HD11 LEU 18 2HD1 LEU 18 6.305 2.948 3.623
169 HD12 LEU 18 3HD1 LEU 18 6.575 4.548 4.315
170 HD13 LEU 18 1HD1 LEU 18 6.406 3.148 5.373
171 HD21 LEU 18 1HD2 LEU 18 9.665 1.646 4.546
172 HD22 LEU 18 2HD2 LEU 18 8.162 1.242 3.713
173 HD23 LEU 18 3HD2 LEU 18 8.173 1.446 5.464
174 H LYS 19 H LYS 19 8.618 5.400 0.153
175 HA LYS 19 HA LYS 19 11.462 5.872 -0.100
176 HB2 LYS 19 2HB LYS 19 9.306 5.575 -2.191
177 HB3 LYS 19 1HB LYS 19 11.018 5.760 -2.542
178 HG2 LYS 19 2HG LYS 19 11.494 3.688 -1.351
179 HG3 LYS 19 1HG LYS 19 9.776 3.501 -0.993
180 HD2 LYS 19 2HD LYS 19 9.352 3.503 -3.460
181 HD3 LYS 19 1HD LYS 19 11.098 3.465 -3.703
182 HE2 LYS 19 2HE LYS 19 9.455 1.405 -2.238
183 HE3 LYS 19 1HE LYS 19 10.147 1.227 -3.848
184 HZ1 LYS 19 2HZ LYS 19 12.354 1.428 -2.870
185 HZ2 LYS 19 3HZ LYS 19 11.504 0.134 -2.195
186 HZ3 LYS 19 1HZ LYS 19 11.675 1.574 -1.327
187 H ILE 20 H ILE 20 8.861 7.843 0.438
188 HA ILE 20 HA ILE 20 9.375 10.038 -1.237
189 HB ILE 20 HB ILE 20 8.228 9.953 1.556
190 HG12 ILE 20 2HG1 ILE 20 6.897 8.804 -0.158
191 HG13 ILE 20 1HG1 ILE 20 6.081 10.258 0.410
192 HG21 ILE 20 1HG2 ILE 20 8.278 12.267 -0.376
193 HG22 ILE 20 2HG2 ILE 20 9.153 12.167 1.152
194 HG23 ILE 20 3HG2 ILE 20 7.390 12.219 1.147
195 HD11 ILE 20 2HD1 ILE 20 7.573 9.915 -2.181
196 HD12 ILE 20 3HD1 ILE 20 6.905 11.441 -1.605
197 HD13 ILE 20 1HD1 ILE 20 5.832 10.089 -1.966
198 H SER 21 H SER 21 10.837 8.985 1.762
199 HA SER 21 HA SER 21 12.469 11.357 2.012
200 HB2 SER 21 2HB SER 21 12.716 8.759 3.536
201 HB3 SER 21 1HB SER 21 13.304 10.349 4.021
202 HG SER 21 HG SER 21 11.131 9.400 4.816
203 H ASN 22 H ASN 22 12.606 8.654 0.095
204 HA ASN 22 HA ASN 22 15.529 8.435 0.191
205 HB2 ASN 22 2HB ASN 22 14.303 6.325 0.430
206 HB3 ASN 22 1HB ASN 22 13.477 6.618 -1.095
207 HD21 ASN 22 1HD2 ASN 22 16.507 5.786 0.411
208 HD22 ASN 22 2HD2 ASN 22 17.269 5.182 -1.019
Start of MODEL 7
1 H1 THR 1 1HT THR 1 -10.949 -10.622 -1.390
2 H2 THR 1 2HT THR 1 -11.033 -10.104 -3.002
3 H3 THR 1 3HT THR 1 -12.048 -11.343 -2.459
4 HA THR 1 HA THR 1 -13.266 -9.296 -2.670
5 HB THR 1 HB THR 1 -13.065 -9.523 0.278
6 HG1 THR 1 1HG THR 1 -13.241 -11.646 0.366
7 HG21 THR 1 1HG2 THR 1 -15.476 -9.909 0.052
8 HG22 THR 1 2HG2 THR 1 -15.304 -9.979 -1.700
9 HG23 THR 1 3HG2 THR 1 -14.982 -8.475 -0.843
10 H ASP 2 H ASP 2 -13.634 -7.380 -0.707
11 HA ASP 2 HA ASP 2 -11.855 -5.411 -1.580
12 HB2 ASP 2 2HB ASP 2 -14.080 -4.843 -0.816
13 HB3 ASP 2 1HB ASP 2 -13.706 -5.413 0.808
14 H GLU 3 H GLU 3 -11.876 -7.296 1.412
15 HA GLU 3 HA GLU 3 -9.854 -5.875 2.746
16 HB2 GLU 3 2HB GLU 3 -10.546 -8.801 2.982
17 HB3 GLU 3 1HB GLU 3 -9.609 -7.872 4.142
18 HG2 GLU 3 2HG GLU 3 -11.589 -6.416 4.480
19 HG3 GLU 3 1HG GLU 3 -12.506 -7.503 3.440
20 H ASP 4 H ASP 4 -9.714 -8.422 0.350
21 HA ASP 4 HA ASP 4 -6.948 -9.002 0.599
22 HB2 ASP 4 2HB ASP 4 -8.727 -9.270 -1.834
23 HB3 ASP 4 1HB ASP 4 -7.166 -10.050 -1.604
24 H VAL 5 H VAL 5 -8.819 -6.669 -1.202
25 HA VAL 5 HA VAL 5 -6.639 -5.614 -2.696
26 HB VAL 5 HB VAL 5 -9.355 -4.469 -2.051
27 HG11 VAL 5 2HG1 VAL 5 -7.234 -3.410 -3.918
28 HG12 VAL 5 3HG1 VAL 5 -7.798 -2.648 -2.431
29 HG13 VAL 5 1HG1 VAL 5 -8.890 -2.809 -3.807
30 HG21 VAL 5 1HG2 VAL 5 -9.415 -6.429 -3.465
31 HG22 VAL 5 2HG2 VAL 5 -8.193 -5.732 -4.528
32 HG23 VAL 5 3HG2 VAL 5 -9.793 -4.996 -4.422
33 H LYS 6 H LYS 6 -8.278 -4.680 0.305
34 HA LYS 6 HA LYS 6 -6.843 -2.429 1.011
35 HB2 LYS 6 2HB LYS 6 -7.887 -4.696 2.701
36 HB3 LYS 6 1HB LYS 6 -7.120 -3.283 3.408
37 HG2 LYS 6 2HG LYS 6 -8.839 -1.859 2.403
38 HG3 LYS 6 1HG LYS 6 -9.614 -3.294 1.724
39 HD2 LYS 6 2HD LYS 6 -10.014 -4.172 3.944
40 HD3 LYS 6 1HD LYS 6 -9.133 -2.824 4.665
41 HE2 LYS 6 2HE LYS 6 -10.798 -1.265 3.854
42 HE3 LYS 6 1HE LYS 6 -11.651 -2.569 3.028
43 HZ1 LYS 6 2HZ LYS 6 -12.696 -2.002 5.133
44 HZ2 LYS 6 3HZ LYS 6 -11.270 -2.353 5.967
45 HZ3 LYS 6 1HZ LYS 6 -12.108 -3.587 5.166
46 H LYS 7 H LYS 7 -5.888 -5.774 1.063
47 HA LYS 7 HA LYS 7 -3.619 -5.560 2.715
48 HB2 LYS 7 2HB LYS 7 -4.638 -7.717 2.173
49 HB3 LYS 7 1HB LYS 7 -4.197 -7.519 0.482
50 HG2 LYS 7 2HG LYS 7 -1.813 -7.517 1.147
51 HG3 LYS 7 1HG LYS 7 -2.311 -7.839 2.808
52 HD2 LYS 7 2HD LYS 7 -2.926 -9.602 0.438
53 HD3 LYS 7 1HD LYS 7 -1.627 -9.881 1.598
54 HE2 LYS 7 2HE LYS 7 -3.305 -10.023 3.401
55 HE3 LYS 7 1HE LYS 7 -4.581 -9.811 2.205
56 HZ1 LYS 7 2HZ LYS 7 -3.848 -11.854 1.127
57 HZ2 LYS 7 3HZ LYS 7 -4.278 -12.135 2.738
58 HZ3 LYS 7 1HZ LYS 7 -2.647 -12.060 2.298
59 H TRP 8 H TRP 8 -3.832 -5.704 -0.861
60 HA TRP 8 HA TRP 8 -1.050 -5.121 -1.106
61 HB2 TRP 8 2HB TRP 8 -1.317 -5.266 -3.442
62 HB3 TRP 8 1HB TRP 8 -2.419 -6.457 -2.775
63 HD1 TRP 8 HD TRP 8 -4.899 -6.267 -3.426
64 HE1 TRP 8 1HE TRP 8 -6.250 -4.716 -4.969
65 HE3 TRP 8 3HE TRP 8 -1.398 -2.653 -4.162
66 HZ2 TRP 8 2HZ TRP 8 -5.866 -2.262 -6.309
67 HZ3 TRP 8 3HZ TRP 8 -1.968 -0.724 -5.583
68 HH2 TRP 8 HH TRP 8 -4.160 -0.535 -6.631
69 H ARG 9 H ARG 9 -3.985 -3.231 -1.151
70 HA ARG 9 HA ARG 9 -3.039 -0.974 -2.410
71 HB2 ARG 9 2HB ARG 9 -5.219 -1.460 -0.465
72 HB3 ARG 9 1HB ARG 9 -4.710 0.208 -0.694
73 HG2 ARG 9 2HG ARG 9 -5.061 -0.111 -3.150
74 HG3 ARG 9 1HG ARG 9 -5.767 -1.684 -2.780
75 HD2 ARG 9 2HD ARG 9 -7.490 -0.636 -1.441
76 HD3 ARG 9 1HD ARG 9 -6.753 0.946 -1.684
77 HE ARG 9 HE ARG 9 -7.289 -0.067 -4.207
78 HH11 ARG 9 1HH1 ARG 9 -9.133 0.829 -1.362
79 HH12 ARG 9 2HH1 ARG 9 -10.549 1.265 -2.265
80 HH21 ARG 9 1HH2 ARG 9 -9.152 0.499 -5.388
81 HH22 ARG 9 2HH2 ARG 9 -10.563 1.066 -4.549
82 H GLU 10 H GLU 10 -3.077 -1.610 1.093
83 HA GLU 10 HA GLU 10 -1.609 0.756 1.656
84 HB2 GLU 10 2HB GLU 10 -1.517 0.003 3.929
85 HB3 GLU 10 1HB GLU 10 -3.119 -0.311 3.285
86 HG2 GLU 10 2HG GLU 10 -2.599 -2.645 3.016
87 HG3 GLU 10 1HG GLU 10 -0.941 -2.368 3.546
88 H GLU 11 H GLU 11 -0.755 -2.539 0.937
89 HA GLU 11 HA GLU 11 1.889 -2.561 1.872
90 HB2 GLU 11 2HB GLU 11 0.626 -4.557 1.066
91 HB3 GLU 11 1HB GLU 11 0.792 -3.956 -0.577
92 HG2 GLU 11 2HG GLU 11 2.443 -5.618 -0.263
93 HG3 GLU 11 1HG GLU 11 3.267 -4.060 -0.280
94 H ARG 12 H ARG 12 0.632 -1.864 -1.384
95 HA ARG 12 HA ARG 12 3.162 -1.068 -2.400
96 HB2 ARG 12 2HB ARG 12 0.373 -0.617 -3.457
97 HB3 ARG 12 1HB ARG 12 1.838 -0.235 -4.346
98 HG2 ARG 12 2HG ARG 12 2.473 -2.641 -4.185
99 HG3 ARG 12 1HG ARG 12 0.892 -2.953 -3.468
100 HD2 ARG 12 2HD ARG 12 0.753 -3.449 -5.803
101 HD3 ARG 12 1HD ARG 12 -0.151 -1.964 -5.508
102 HE ARG 12 HE ARG 12 2.523 -1.379 -6.260
103 HH11 ARG 12 1HH1 ARG 12 -0.551 -2.431 -7.580
104 HH12 ARG 12 2HH1 ARG 12 -0.221 -1.818 -9.169
105 HH21 ARG 12 1HH2 ARG 12 2.963 -0.587 -8.366
106 HH22 ARG 12 2HH2 ARG 12 1.769 -0.775 -9.615
107 H LYS 13 H LYS 13 0.524 0.631 -0.840
108 HA LYS 13 HA LYS 13 1.196 3.262 -1.477
109 HB2 LYS 13 2HB LYS 13 -0.205 1.951 0.814
110 HB3 LYS 13 1HB LYS 13 0.215 3.648 0.935
111 HG2 LYS 13 2HG LYS 13 -1.260 2.637 -1.450
112 HG3 LYS 13 1HG LYS 13 -2.116 2.967 0.055
113 HD2 LYS 13 2HD LYS 13 -1.597 5.248 -0.018
114 HD3 LYS 13 1HD LYS 13 -0.301 5.008 -1.190
115 HE2 LYS 13 2HE LYS 13 -1.874 4.503 -2.918
116 HE3 LYS 13 1HE LYS 13 -3.213 4.507 -1.771
117 HZ1 LYS 13 2HZ LYS 13 -1.578 6.840 -2.599
118 HZ2 LYS 13 3HZ LYS 13 -2.761 6.886 -1.392
119 HZ3 LYS 13 1HZ LYS 13 -3.194 6.550 -2.991
120 H LYS 14 H LYS 14 2.230 1.255 1.252
121 HA LYS 14 HA LYS 14 3.847 3.208 2.467
122 HB2 LYS 14 2HB LYS 14 4.026 0.195 2.608
123 HB3 LYS 14 1HB LYS 14 4.852 1.307 3.693
124 HG2 LYS 14 2HG LYS 14 2.829 2.050 4.640
125 HG3 LYS 14 1HG LYS 14 1.870 1.301 3.363
126 HD2 LYS 14 2HD LYS 14 2.693 -0.920 4.164
127 HD3 LYS 14 1HD LYS 14 3.435 -0.086 5.533
128 HE2 LYS 14 2HE LYS 14 1.292 0.697 6.284
129 HE3 LYS 14 1HE LYS 14 0.506 0.060 4.841
130 HZ1 LYS 14 2HZ LYS 14 1.378 -2.180 5.633
131 HZ2 LYS 14 3HZ LYS 14 0.074 -1.512 6.477
132 HZ3 LYS 14 1HZ LYS 14 1.640 -1.432 7.124
133 H MET 15 H MET 15 4.414 0.990 -0.149
134 HA MET 15 HA MET 15 7.217 0.998 -0.174
135 HB2 MET 15 2HB MET 15 5.288 0.772 -2.489
136 HB3 MET 15 1HB MET 15 6.998 0.381 -2.560
137 HG2 MET 15 2HG MET 15 4.984 -0.987 -0.799
138 HG3 MET 15 1HG MET 15 5.566 -1.598 -2.344
139 HE1 MET 15 2HE MET 15 5.619 -3.214 0.423
140 HE2 MET 15 3HE MET 15 7.206 -3.974 0.325
141 HE3 MET 15 1HE MET 15 6.178 -3.891 -1.106
142 H TRP 16 H TRP 16 4.905 3.070 -1.949
143 HA TRP 16 HA TRP 16 7.065 4.683 -2.959
144 HB2 TRP 16 2HB TRP 16 5.407 5.943 -4.148
145 HB3 TRP 16 1HB TRP 16 5.020 4.239 -4.286
146 HD1 TRP 16 HD TRP 16 2.687 3.433 -3.360
147 HE1 TRP 16 1HE TRP 16 0.642 4.684 -2.468
148 HE3 TRP 16 3HE TRP 16 4.776 8.046 -2.736
149 HZ2 TRP 16 2HZ TRP 16 -0.009 7.288 -1.589
150 HZ3 TRP 16 3HZ TRP 16 3.375 9.864 -1.858
151 HH2 TRP 16 HH TRP 16 1.042 9.482 -1.290
152 H LEU 17 H LEU 17 4.771 4.869 -0.337
153 HA LEU 17 HA LEU 17 5.031 7.596 0.309
154 HB2 LEU 17 2HB LEU 17 4.387 5.150 1.933
155 HB3 LEU 17 1HB LEU 17 4.512 6.727 2.688
156 HG LEU 17 HG LEU 17 2.638 6.158 0.395
157 HD11 LEU 17 2HD1 LEU 17 2.062 4.708 2.277
158 HD12 LEU 17 3HD1 LEU 17 0.869 5.992 2.086
159 HD13 LEU 17 1HD1 LEU 17 2.079 6.096 3.364
160 HD21 LEU 17 1HD2 LEU 17 3.216 8.504 0.755
161 HD22 LEU 17 2HD2 LEU 17 2.766 8.363 2.454
162 HD23 LEU 17 3HD2 LEU 17 1.539 8.194 1.201
163 H LEU 18 H LEU 18 6.820 4.736 1.410
164 HA LEU 18 HA LEU 18 8.592 6.193 3.101
165 HB2 LEU 18 2HB LEU 18 8.437 3.390 2.091
166 HB3 LEU 18 1HB LEU 18 9.932 3.942 2.815
167 HG LEU 18 HG LEU 18 8.862 4.333 4.928
168 HD11 LEU 18 2HD1 LEU 18 6.484 3.910 5.308
169 HD12 LEU 18 3HD1 LEU 18 6.258 3.617 3.585
170 HD13 LEU 18 1HD1 LEU 18 6.726 5.219 4.152
171 HD21 LEU 18 1HD2 LEU 18 8.093 2.080 5.475
172 HD22 LEU 18 2HD2 LEU 18 9.529 2.043 4.453
173 HD23 LEU 18 3HD2 LEU 18 7.942 1.716 3.756
174 H LYS 19 H LYS 19 8.551 5.389 -0.264
175 HA LYS 19 HA LYS 19 11.282 5.766 -0.857
176 HB2 LYS 19 2HB LYS 19 9.716 4.762 -2.453
177 HB3 LYS 19 1HB LYS 19 8.844 6.281 -2.575
178 HG2 LYS 19 2HG LYS 19 10.882 7.332 -3.502
179 HG3 LYS 19 1HG LYS 19 11.669 5.755 -3.466
180 HD2 LYS 19 2HD LYS 19 9.132 6.365 -4.976
181 HD3 LYS 19 1HD LYS 19 10.745 6.364 -5.693
182 HE2 LYS 19 2HE LYS 19 9.451 3.999 -4.339
183 HE3 LYS 19 1HE LYS 19 9.496 4.263 -6.080
184 HZ1 LYS 19 2HZ LYS 19 11.245 2.760 -5.356
185 HZ2 LYS 19 3HZ LYS 19 11.873 3.943 -4.326
186 HZ3 LYS 19 1HZ LYS 19 11.904 4.177 -6.000
187 H ILE 20 H ILE 20 8.530 7.995 -0.785
188 HA ILE 20 HA ILE 20 10.087 10.305 -1.443
189 HB ILE 20 HB ILE 20 7.352 10.166 -0.155
190 HG12 ILE 20 2HG1 ILE 20 8.114 10.367 -3.076
191 HG13 ILE 20 1HG1 ILE 20 7.458 8.936 -2.292
192 HG21 ILE 20 1HG2 ILE 20 8.707 12.390 -1.678
193 HG22 ILE 20 2HG2 ILE 20 8.392 12.360 0.057
194 HG23 ILE 20 3HG2 ILE 20 7.047 12.414 -1.084
195 HD11 ILE 20 2HD1 ILE 20 5.746 10.087 -3.542
196 HD12 ILE 20 3HD1 ILE 20 6.055 11.573 -2.641
197 HD13 ILE 20 1HD1 ILE 20 5.396 10.162 -1.815
198 H SER 21 H SER 21 9.559 8.484 1.363
199 HA SER 21 HA SER 21 9.891 10.548 3.304
200 HB2 SER 21 2HB SER 21 8.742 8.315 3.665
201 HB3 SER 21 1HB SER 21 10.347 7.587 3.704
202 HG SER 21 HG SER 21 10.831 8.993 5.468
203 H ASN 22 H ASN 22 12.021 9.196 1.144
204 HA ASN 22 HA ASN 22 14.369 9.296 2.836
205 HB2 ASN 22 2HB ASN 22 14.063 8.975 -0.158
206 HB3 ASN 22 1HB ASN 22 15.613 8.990 0.671
207 HD21 ASN 22 1HD2 ASN 22 12.757 7.199 -0.023
208 HD22 ASN 22 2HD2 ASN 22 13.283 5.691 0.644
Start of MODEL 8
1 H1 THR 1 1HT THR 1 -11.122 -11.973 -2.283
2 H2 THR 1 2HT THR 1 -10.074 -11.088 -1.298
3 H3 THR 1 3HT THR 1 -10.308 -10.632 -2.913
4 HA THR 1 HA THR 1 -12.628 -10.139 -2.447
5 HB THR 1 HB THR 1 -13.144 -9.871 0.049
6 HG1 THR 1 1HG THR 1 -11.931 -11.647 1.222
7 HG21 THR 1 1HG2 THR 1 -14.232 -11.555 -1.356
8 HG22 THR 1 2HG2 THR 1 -13.913 -12.190 0.259
9 HG23 THR 1 3HG2 THR 1 -12.878 -12.653 -1.092
10 H ASP 2 H ASP 2 -13.195 -8.153 -0.745
11 HA ASP 2 HA ASP 2 -11.481 -6.086 -1.628
12 HB2 ASP 2 2HB ASP 2 -13.950 -5.886 -1.039
13 HB3 ASP 2 1HB ASP 2 -13.445 -5.850 0.648
14 H GLU 3 H GLU 3 -11.668 -7.951 1.328
15 HA GLU 3 HA GLU 3 -9.937 -6.446 2.937
16 HB2 GLU 3 2HB GLU 3 -10.291 -9.446 2.810
17 HB3 GLU 3 1HB GLU 3 -9.452 -8.588 4.094
18 HG2 GLU 3 2HG GLU 3 -11.553 -7.383 4.596
19 HG3 GLU 3 1HG GLU 3 -12.367 -8.382 3.393
20 H ASP 4 H ASP 4 -9.280 -8.951 0.528
21 HA ASP 4 HA ASP 4 -6.467 -8.991 0.828
22 HB2 ASP 4 2HB ASP 4 -8.158 -9.614 -1.604
23 HB3 ASP 4 1HB ASP 4 -6.441 -9.969 -1.462
24 H VAL 5 H VAL 5 -8.660 -7.012 -1.044
25 HA VAL 5 HA VAL 5 -6.712 -5.669 -2.574
26 HB VAL 5 HB VAL 5 -9.497 -4.833 -1.782
27 HG11 VAL 5 2HG1 VAL 5 -8.138 -2.869 -2.255
28 HG12 VAL 5 3HG1 VAL 5 -9.318 -3.139 -3.538
29 HG13 VAL 5 1HG1 VAL 5 -7.626 -3.577 -3.786
30 HG21 VAL 5 1HG2 VAL 5 -9.998 -5.430 -4.126
31 HG22 VAL 5 2HG2 VAL 5 -9.415 -6.801 -3.182
32 HG23 VAL 5 3HG2 VAL 5 -8.333 -5.986 -4.311
33 H LYS 6 H LYS 6 -8.347 -4.814 0.454
34 HA LYS 6 HA LYS 6 -7.121 -2.380 0.957
35 HB2 LYS 6 2HB LYS 6 -7.914 -4.563 2.885
36 HB3 LYS 6 1HB LYS 6 -7.435 -2.949 3.385
37 HG2 LYS 6 2HG LYS 6 -9.340 -2.072 1.999
38 HG3 LYS 6 1HG LYS 6 -9.866 -3.748 1.810
39 HD2 LYS 6 2HD LYS 6 -9.967 -3.958 4.268
40 HD3 LYS 6 1HD LYS 6 -9.521 -2.260 4.415
41 HE2 LYS 6 2HE LYS 6 -11.862 -2.328 4.649
42 HE3 LYS 6 1HE LYS 6 -11.565 -1.747 3.011
43 HZ1 LYS 6 2HZ LYS 6 -13.329 -3.495 3.265
44 HZ2 LYS 6 3HZ LYS 6 -12.099 -4.594 3.619
45 HZ3 LYS 6 1HZ LYS 6 -12.138 -3.825 2.108
46 H LYS 7 H LYS 7 -5.920 -5.621 1.295
47 HA LYS 7 HA LYS 7 -3.682 -5.068 2.922
48 HB2 LYS 7 2HB LYS 7 -4.610 -7.323 2.633
49 HB3 LYS 7 1HB LYS 7 -4.117 -7.311 0.944
50 HG2 LYS 7 2HG LYS 7 -1.785 -7.218 1.599
51 HG3 LYS 7 1HG LYS 7 -2.246 -7.150 3.300
52 HD2 LYS 7 2HD LYS 7 -2.910 -9.424 1.433
53 HD3 LYS 7 1HD LYS 7 -1.543 -9.412 2.549
54 HE2 LYS 7 2HE LYS 7 -3.136 -9.112 4.423
55 HE3 LYS 7 1HE LYS 7 -4.466 -9.254 3.277
56 HZ1 LYS 7 2HZ LYS 7 -3.771 -11.489 2.763
57 HZ2 LYS 7 3HZ LYS 7 -3.990 -11.342 4.430
58 HZ3 LYS 7 1HZ LYS 7 -2.431 -11.355 3.783
59 H TRP 8 H TRP 8 -3.925 -5.571 -0.623
60 HA TRP 8 HA TRP 8 -1.160 -4.942 -0.975
61 HB2 TRP 8 2HB TRP 8 -1.478 -5.273 -3.293
62 HB3 TRP 8 1HB TRP 8 -2.489 -6.458 -2.491
63 HD1 TRP 8 HD TRP 8 -4.982 -6.467 -3.055
64 HE1 TRP 8 1HE TRP 8 -6.484 -5.128 -4.657
65 HE3 TRP 8 3HE TRP 8 -1.737 -2.738 -4.228
66 HZ2 TRP 8 2HZ TRP 8 -6.302 -2.782 -6.205
67 HZ3 TRP 8 3HZ TRP 8 -2.475 -0.970 -5.778
68 HH2 TRP 8 HH TRP 8 -4.713 -0.994 -6.745
69 H ARG 9 H ARG 9 -4.147 -3.166 -1.083
70 HA ARG 9 HA ARG 9 -3.376 -0.996 -2.593
71 HB2 ARG 9 2HB ARG 9 -5.393 -1.404 -0.462
72 HB3 ARG 9 1HB ARG 9 -4.987 0.256 -0.869
73 HG2 ARG 9 2HG ARG 9 -5.528 -0.248 -3.237
74 HG3 ARG 9 1HG ARG 9 -6.062 -1.853 -2.728
75 HD2 ARG 9 2HD ARG 9 -7.776 -0.905 -1.342
76 HD3 ARG 9 1HD ARG 9 -7.176 0.725 -1.636
77 HE ARG 9 HE ARG 9 -7.869 -0.537 -4.077
78 HH11 ARG 9 1HH1 ARG 9 -9.299 0.948 -1.247
79 HH12 ARG 9 2HH1 ARG 9 -10.733 1.448 -2.082
80 HH21 ARG 9 1HH2 ARG 9 -9.749 0.147 -5.178
81 HH22 ARG 9 2HH2 ARG 9 -10.992 0.990 -4.305
82 H GLU 10 H GLU 10 -3.202 -1.363 0.920
83 HA GLU 10 HA GLU 10 -1.815 1.104 1.258
84 HB2 GLU 10 2HB GLU 10 -1.621 0.439 3.597
85 HB3 GLU 10 1HB GLU 10 -3.259 0.205 3.000
86 HG2 GLU 10 2HG GLU 10 -2.841 -2.175 2.752
87 HG3 GLU 10 1HG GLU 10 -1.191 -1.950 3.326
88 H GLU 11 H GLU 11 -0.884 -2.235 0.819
89 HA GLU 11 HA GLU 11 1.780 -2.112 1.662
90 HB2 GLU 11 2HB GLU 11 0.715 -4.227 1.096
91 HB3 GLU 11 1HB GLU 11 0.541 -3.722 -0.579
92 HG2 GLU 11 2HG GLU 11 2.966 -3.687 -0.829
93 HG3 GLU 11 1HG GLU 11 3.148 -4.186 0.852
94 H ARG 12 H ARG 12 0.399 -1.602 -1.567
95 HA ARG 12 HA ARG 12 2.828 -0.798 -2.773
96 HB2 ARG 12 2HB ARG 12 -0.062 -0.525 -3.527
97 HB3 ARG 12 1HB ARG 12 1.196 0.229 -4.497
98 HG2 ARG 12 2HG ARG 12 2.245 -1.982 -4.794
99 HG3 ARG 12 1HG ARG 12 0.915 -2.707 -3.888
100 HD2 ARG 12 2HD ARG 12 0.625 -2.885 -6.333
101 HD3 ARG 12 1HD ARG 12 -0.673 -1.985 -5.550
102 HE ARG 12 HE ARG 12 1.315 -0.193 -6.428
103 HH11 ARG 12 1HH1 ARG 12 -1.150 -2.314 -7.714
104 HH12 ARG 12 2HH1 ARG 12 -1.469 -1.320 -9.098
105 HH21 ARG 12 1HH2 ARG 12 0.910 1.120 -8.258
106 HH22 ARG 12 2HH2 ARG 12 -0.295 0.636 -9.409
107 H LYS 13 H LYS 13 0.312 0.945 -1.056
108 HA LYS 13 HA LYS 13 1.146 3.543 -1.716
109 HB2 LYS 13 2HB LYS 13 -0.386 2.381 0.591
110 HB3 LYS 13 1HB LYS 13 0.006 4.089 0.522
111 HG2 LYS 13 2HG LYS 13 -1.673 2.528 -1.421
112 HG3 LYS 13 1HG LYS 13 -2.205 3.805 -0.324
113 HD2 LYS 13 2HD LYS 13 -0.650 5.350 -1.534
114 HD3 LYS 13 1HD LYS 13 -0.400 4.065 -2.715
115 HE2 LYS 13 2HE LYS 13 -2.965 5.493 -2.077
116 HE3 LYS 13 1HE LYS 13 -2.021 5.582 -3.562
117 HZ1 LYS 13 2HZ LYS 13 -2.487 3.202 -3.906
118 HZ2 LYS 13 3HZ LYS 13 -3.889 4.145 -3.902
119 HZ3 LYS 13 1HZ LYS 13 -3.495 3.210 -2.549
120 H LYS 14 H LYS 14 1.948 1.445 1.018
121 HA LYS 14 HA LYS 14 3.657 3.195 2.377
122 HB2 LYS 14 2HB LYS 14 3.771 0.176 2.203
123 HB3 LYS 14 1HB LYS 14 4.642 1.147 3.382
124 HG2 LYS 14 2HG LYS 14 2.671 1.777 4.478
125 HG3 LYS 14 1HG LYS 14 1.656 1.245 3.135
126 HD2 LYS 14 2HD LYS 14 2.458 -1.088 3.580
127 HD3 LYS 14 1HD LYS 14 3.234 -0.476 5.042
128 HE2 LYS 14 2HE LYS 14 1.120 0.206 5.945
129 HE3 LYS 14 1HE LYS 14 0.296 -0.188 4.438
130 HZ1 LYS 14 2HZ LYS 14 -0.113 -1.957 5.916
131 HZ2 LYS 14 3HZ LYS 14 1.514 -2.069 6.379
132 HZ3 LYS 14 1HZ LYS 14 1.038 -2.539 4.823
133 H MET 15 H MET 15 4.189 1.097 -0.371
134 HA MET 15 HA MET 15 6.979 1.022 -0.353
135 HB2 MET 15 2HB MET 15 5.041 0.877 -2.661
136 HB3 MET 15 1HB MET 15 6.767 0.586 -2.822
137 HG2 MET 15 2HG MET 15 4.865 -0.984 -1.100
138 HG3 MET 15 1HG MET 15 5.517 -1.491 -2.657
139 HE1 MET 15 2HE MET 15 5.684 -3.217 0.067
140 HE2 MET 15 3HE MET 15 7.324 -3.848 -0.090
141 HE3 MET 15 1HE MET 15 6.272 -3.766 -1.503
142 H TRP 16 H TRP 16 4.808 3.271 -2.082
143 HA TRP 16 HA TRP 16 7.075 4.787 -3.002
144 HB2 TRP 16 2HB TRP 16 5.531 6.163 -4.187
145 HB3 TRP 16 1HB TRP 16 4.979 4.506 -4.341
146 HD1 TRP 16 HD TRP 16 2.558 3.931 -3.417
147 HE1 TRP 16 1HE TRP 16 0.659 5.389 -2.525
148 HE3 TRP 16 3HE TRP 16 5.098 8.326 -2.744
149 HZ2 TRP 16 2HZ TRP 16 0.254 8.009 -1.639
150 HZ3 TRP 16 3HZ TRP 16 3.866 10.262 -1.861
151 HH2 TRP 16 HH TRP 16 1.493 10.091 -1.316
152 H LEU 17 H LEU 17 4.724 5.047 -0.415
153 HA LEU 17 HA LEU 17 5.110 7.737 0.292
154 HB2 LEU 17 2HB LEU 17 4.267 5.297 1.822
155 HB3 LEU 17 1HB LEU 17 4.479 6.828 2.647
156 HG LEU 17 HG LEU 17 2.625 6.479 0.292
157 HD11 LEU 17 2HD1 LEU 17 0.813 6.366 1.937
158 HD12 LEU 17 3HD1 LEU 17 1.996 6.334 3.243
159 HD13 LEU 17 1HD1 LEU 17 1.911 4.995 2.098
160 HD21 LEU 17 1HD2 LEU 17 2.812 8.579 2.453
161 HD22 LEU 17 2HD2 LEU 17 1.643 8.545 1.134
162 HD23 LEU 17 3HD2 LEU 17 3.357 8.768 0.787
163 H LEU 18 H LEU 18 6.634 4.786 1.517
164 HA LEU 18 HA LEU 18 8.423 6.152 3.264
165 HB2 LEU 18 2HB LEU 18 8.151 3.327 2.296
166 HB3 LEU 18 1HB LEU 18 9.569 3.812 3.202
167 HG LEU 18 HG LEU 18 8.254 4.304 5.153
168 HD11 LEU 18 2HD1 LEU 18 5.819 3.721 3.471
169 HD12 LEU 18 3HD1 LEU 18 6.292 5.293 4.115
170 HD13 LEU 18 1HD1 LEU 18 5.823 3.996 5.213
171 HD21 LEU 18 1HD2 LEU 18 7.296 2.111 5.625
172 HD22 LEU 18 2HD2 LEU 18 8.844 1.968 4.791
173 HD23 LEU 18 3HD2 LEU 18 7.338 1.719 3.906
174 H LYS 19 H LYS 19 8.518 5.179 -0.060
175 HA LYS 19 HA LYS 19 11.312 5.184 -0.448
176 HB2 LYS 19 2HB LYS 19 9.557 4.276 -2.029
177 HB3 LYS 19 1HB LYS 19 9.215 5.936 -2.488
178 HG2 LYS 19 2HG LYS 19 10.651 5.022 -4.136
179 HG3 LYS 19 1HG LYS 19 11.605 6.157 -3.180
180 HD2 LYS 19 2HD LYS 19 12.913 4.179 -3.563
181 HD3 LYS 19 1HD LYS 19 12.462 4.237 -1.860
182 HE2 LYS 19 2HE LYS 19 10.676 2.641 -2.256
183 HE3 LYS 19 1HE LYS 19 11.051 2.622 -3.978
184 HZ1 LYS 19 2HZ LYS 19 11.995 0.714 -2.860
185 HZ2 LYS 19 3HZ LYS 19 12.852 1.712 -1.799
186 HZ3 LYS 19 1HZ LYS 19 13.227 1.710 -3.446
187 H ILE 20 H ILE 20 8.919 7.715 -0.318
188 HA ILE 20 HA ILE 20 10.626 9.751 -1.407
189 HB ILE 20 HB ILE 20 8.011 9.981 0.086
190 HG12 ILE 20 2HG1 ILE 20 8.645 10.101 -2.869
191 HG13 ILE 20 1HG1 ILE 20 7.832 8.777 -2.042
192 HG21 ILE 20 1HG2 ILE 20 7.897 12.257 -0.831
193 HG22 ILE 20 2HG2 ILE 20 9.528 12.067 -1.475
194 HG23 ILE 20 3HG2 ILE 20 9.262 12.051 0.269
195 HD11 ILE 20 2HD1 ILE 20 5.984 10.273 -1.486
196 HD12 ILE 20 3HD1 ILE 20 6.243 10.160 -3.225
197 HD13 ILE 20 1HD1 ILE 20 6.795 11.582 -2.342
198 H SER 21 H SER 21 9.646 8.707 1.813
199 HA SER 21 HA SER 21 10.823 10.945 3.133
200 HB2 SER 21 2HB SER 21 10.454 9.445 5.198
201 HB3 SER 21 1HB SER 21 9.034 9.977 4.297
202 HG SER 21 HG SER 21 8.662 7.878 4.421
203 H ASN 22 H ASN 22 11.948 7.765 2.221
204 HA ASN 22 HA ASN 22 14.401 8.080 3.765
205 HB2 ASN 22 2HB ASN 22 13.392 5.845 1.997
206 HB3 ASN 22 1HB ASN 22 14.994 5.847 2.724
207 HD21 ASN 22 1HD2 ASN 22 11.601 5.519 3.272
208 HD22 ASN 22 2HD2 ASN 22 11.707 4.942 4.902
Start of MODEL 9
1 H1 THR 1 1HT THR 1 -10.209 -10.857 -2.619
2 H2 THR 1 2HT THR 1 -10.838 -10.062 -3.978
3 H3 THR 1 3HT THR 1 -11.451 -11.571 -3.522
4 HA THR 1 HA THR 1 -12.976 -9.846 -2.888
5 HB THR 1 HB THR 1 -11.567 -10.922 -0.434
6 HG1 THR 1 1HG THR 1 -13.487 -12.248 -2.088
7 HG21 THR 1 1HG2 THR 1 -14.485 -10.379 -1.006
8 HG22 THR 1 2HG2 THR 1 -13.438 -9.420 0.042
9 HG23 THR 1 3HG2 THR 1 -13.840 -11.080 0.479
10 H ASP 2 H ASP 2 -13.326 -8.086 -1.127
11 HA ASP 2 HA ASP 2 -11.704 -5.927 -1.766
12 HB2 ASP 2 2HB ASP 2 -13.992 -5.695 -0.889
13 HB3 ASP 2 1HB ASP 2 -13.432 -6.225 0.695
14 H GLU 3 H GLU 3 -11.582 -8.009 1.098
15 HA GLU 3 HA GLU 3 -9.659 -6.678 2.580
16 HB2 GLU 3 2HB GLU 3 -10.456 -9.542 2.335
17 HB3 GLU 3 1HB GLU 3 -9.021 -9.141 3.266
18 HG2 GLU 3 2HG GLU 3 -11.073 -9.355 4.620
19 HG3 GLU 3 1HG GLU 3 -10.284 -7.787 4.764
20 H ASP 4 H ASP 4 -9.229 -8.838 -0.157
21 HA ASP 4 HA ASP 4 -6.420 -9.119 0.036
22 HB2 ASP 4 2HB ASP 4 -8.147 -9.243 -2.451
23 HB3 ASP 4 1HB ASP 4 -6.511 -9.874 -2.293
24 H VAL 5 H VAL 5 -8.510 -6.892 -1.727
25 HA VAL 5 HA VAL 5 -6.434 -5.414 -2.951
26 HB VAL 5 HB VAL 5 -9.278 -4.618 -2.329
27 HG11 VAL 5 2HG1 VAL 5 -7.834 -2.659 -2.604
28 HG12 VAL 5 3HG1 VAL 5 -8.958 -2.826 -3.955
29 HG13 VAL 5 1HG1 VAL 5 -7.268 -3.294 -4.148
30 HG21 VAL 5 1HG2 VAL 5 -7.950 -5.686 -4.811
31 HG22 VAL 5 2HG2 VAL 5 -9.597 -5.062 -4.747
32 HG23 VAL 5 3HG2 VAL 5 -9.164 -6.500 -3.822
33 H LYS 6 H LYS 6 -8.410 -4.859 -0.094
34 HA LYS 6 HA LYS 6 -7.370 -2.512 0.869
35 HB2 LYS 6 2HB LYS 6 -9.308 -3.778 1.755
36 HB3 LYS 6 1HB LYS 6 -8.210 -4.976 2.412
37 HG2 LYS 6 2HG LYS 6 -7.246 -3.241 3.864
38 HG3 LYS 6 1HG LYS 6 -8.443 -2.103 3.244
39 HD2 LYS 6 2HD LYS 6 -9.089 -4.700 4.645
40 HD3 LYS 6 1HD LYS 6 -9.102 -3.111 5.412
41 HE2 LYS 6 2HE LYS 6 -10.880 -2.370 3.976
42 HE3 LYS 6 1HE LYS 6 -10.793 -3.851 3.027
43 HZ1 LYS 6 2HZ LYS 6 -12.630 -3.714 4.718
44 HZ2 LYS 6 3HZ LYS 6 -11.444 -3.856 5.914
45 HZ3 LYS 6 1HZ LYS 6 -11.667 -5.107 4.793
46 H LYS 7 H LYS 7 -6.050 -5.722 0.937
47 HA LYS 7 HA LYS 7 -4.008 -5.273 2.858
48 HB2 LYS 7 2HB LYS 7 -4.902 -7.500 2.254
49 HB3 LYS 7 1HB LYS 7 -4.165 -7.345 0.666
50 HG2 LYS 7 2HG LYS 7 -1.948 -7.211 1.752
51 HG3 LYS 7 1HG LYS 7 -2.731 -7.494 3.307
52 HD2 LYS 7 2HD LYS 7 -2.846 -9.357 0.941
53 HD3 LYS 7 1HD LYS 7 -1.781 -9.552 2.332
54 HE2 LYS 7 2HE LYS 7 -3.707 -9.764 3.802
55 HE3 LYS 7 1HE LYS 7 -4.796 -9.495 2.441
56 HZ1 LYS 7 2HZ LYS 7 -2.930 -11.785 2.729
57 HZ2 LYS 7 3HZ LYS 7 -3.977 -11.526 1.430
58 HZ3 LYS 7 1HZ LYS 7 -4.603 -11.840 2.970
59 H TRP 8 H TRP 8 -3.904 -5.497 -0.727
60 HA TRP 8 HA TRP 8 -1.138 -4.797 -0.770
61 HB2 TRP 8 2HB TRP 8 -1.237 -4.899 -3.125
62 HB3 TRP 8 1HB TRP 8 -2.326 -6.147 -2.554
63 HD1 TRP 8 HD TRP 8 -4.734 -6.085 -3.397
64 HE1 TRP 8 1HE TRP 8 -6.081 -4.554 -4.967
65 HE3 TRP 8 3HE TRP 8 -1.428 -2.236 -3.774
66 HZ2 TRP 8 2HZ TRP 8 -5.775 -2.038 -6.193
67 HZ3 TRP 8 3HZ TRP 8 -2.024 -0.295 -5.168
68 HH2 TRP 8 HH TRP 8 -4.156 -0.200 -6.350
69 H ARG 9 H ARG 9 -4.124 -3.053 -0.929
70 HA ARG 9 HA ARG 9 -3.351 -0.711 -2.121
71 HB2 ARG 9 2HB ARG 9 -5.421 -1.463 -0.154
72 HB3 ARG 9 1HB ARG 9 -5.058 0.251 -0.278
73 HG2 ARG 9 2HG ARG 9 -5.574 0.202 -2.654
74 HG3 ARG 9 1HG ARG 9 -5.890 -1.534 -2.555
75 HD2 ARG 9 2HD ARG 9 -7.954 -0.167 -2.493
76 HD3 ARG 9 1HD ARG 9 -7.735 -1.158 -1.050
77 HE ARG 9 HE ARG 9 -6.840 1.628 -0.980
78 HH11 ARG 9 1HH1 ARG 9 -9.145 -0.809 0.031
79 HH12 ARG 9 2HH1 ARG 9 -9.775 0.146 1.332
80 HH21 ARG 9 1HH2 ARG 9 -7.660 2.884 0.734
81 HH22 ARG 9 2HH2 ARG 9 -8.931 2.248 1.734
82 H GLU 10 H GLU 10 -3.314 -1.440 1.338
83 HA GLU 10 HA GLU 10 -1.971 0.981 2.020
84 HB2 GLU 10 2HB GLU 10 -1.849 -0.011 4.270
85 HB3 GLU 10 1HB GLU 10 -3.466 -0.087 3.582
86 HG2 GLU 10 2HG GLU 10 -3.191 -2.412 3.057
87 HG3 GLU 10 1HG GLU 10 -1.509 -2.370 3.585
88 H GLU 11 H GLU 11 -1.000 -2.265 1.247
89 HA GLU 11 HA GLU 11 1.617 -2.258 2.245
90 HB2 GLU 11 2HB GLU 11 0.502 -4.281 1.466
91 HB3 GLU 11 1HB GLU 11 0.453 -3.648 -0.171
92 HG2 GLU 11 2HG GLU 11 2.926 -3.663 -0.199
93 HG3 GLU 11 1HG GLU 11 2.899 -4.430 1.389
94 H ARG 12 H ARG 12 0.473 -1.611 -1.064
95 HA ARG 12 HA ARG 12 2.983 -0.677 -1.986
96 HB2 ARG 12 2HB ARG 12 0.194 -0.361 -3.092
97 HB3 ARG 12 1HB ARG 12 1.628 0.245 -3.911
98 HG2 ARG 12 2HG ARG 12 2.534 -2.044 -3.963
99 HG3 ARG 12 1HG ARG 12 1.046 -2.625 -3.214
100 HD2 ARG 12 2HD ARG 12 0.994 -2.966 -5.621
101 HD3 ARG 12 1HD ARG 12 -0.235 -1.805 -5.128
102 HE ARG 12 HE ARG 12 2.129 -0.452 -5.871
103 HH11 ARG 12 1HH1 ARG 12 -0.534 -2.243 -7.260
104 HH12 ARG 12 2HH1 ARG 12 -0.468 -1.411 -8.779
105 HH21 ARG 12 1HH2 ARG 12 2.222 0.650 -7.868
106 HH22 ARG 12 2HH2 ARG 12 1.096 0.242 -9.124
107 H LYS 13 H LYS 13 0.284 0.828 -0.404
108 HA LYS 13 HA LYS 13 0.825 3.515 -0.875
109 HB2 LYS 13 2HB LYS 13 -1.063 2.296 0.528
110 HB3 LYS 13 1HB LYS 13 0.023 2.638 1.867
111 HG2 LYS 13 2HG LYS 13 -1.457 4.439 1.828
112 HG3 LYS 13 1HG LYS 13 0.003 5.050 1.045
113 HD2 LYS 13 2HD LYS 13 -1.058 4.437 -1.155
114 HD3 LYS 13 1HD LYS 13 -2.549 4.136 -0.266
115 HE2 LYS 13 2HE LYS 13 -2.413 6.477 0.591
116 HE3 LYS 13 1HE LYS 13 -1.044 6.730 -0.491
117 HZ1 LYS 13 2HZ LYS 13 -3.119 7.502 -1.469
118 HZ2 LYS 13 3HZ LYS 13 -3.781 5.954 -1.337
119 HZ3 LYS 13 1HZ LYS 13 -2.468 6.228 -2.366
120 H LYS 14 H LYS 14 2.138 1.321 1.597
121 HA LYS 14 HA LYS 14 3.822 3.233 2.833
122 HB2 LYS 14 2HB LYS 14 4.233 0.240 2.688
123 HB3 LYS 14 1HB LYS 14 4.955 1.337 3.853
124 HG2 LYS 14 2HG LYS 14 2.039 0.639 3.610
125 HG3 LYS 14 1HG LYS 14 3.154 0.108 4.870
126 HD2 LYS 14 2HD LYS 14 3.458 2.469 5.544
127 HD3 LYS 14 1HD LYS 14 2.258 2.941 4.337
128 HE2 LYS 14 2HE LYS 14 1.824 1.173 6.741
129 HE3 LYS 14 1HE LYS 14 1.198 2.802 6.496
130 HZ1 LYS 14 2HZ LYS 14 -0.109 1.971 4.633
131 HZ2 LYS 14 3HZ LYS 14 -0.490 1.145 6.056
132 HZ3 LYS 14 1HZ LYS 14 0.485 0.408 4.888
133 H MET 15 H MET 15 4.186 1.110 0.089
134 HA MET 15 HA MET 15 6.971 1.122 -0.137
135 HB2 MET 15 2HB MET 15 4.923 0.894 -2.347
136 HB3 MET 15 1HB MET 15 6.617 0.437 -2.468
137 HG2 MET 15 2HG MET 15 4.604 -0.808 -0.610
138 HG3 MET 15 1HG MET 15 5.140 -1.487 -2.145
139 HE1 MET 15 2HE MET 15 6.713 -3.750 0.713
140 HE2 MET 15 3HE MET 15 5.630 -3.739 -0.677
141 HE3 MET 15 1HE MET 15 5.181 -2.882 0.796
142 H TRP 16 H TRP 16 4.556 3.245 -1.706
143 HA TRP 16 HA TRP 16 6.643 4.718 -3.018
144 HB2 TRP 16 2HB TRP 16 4.946 6.027 -4.038
145 HB3 TRP 16 1HB TRP 16 4.338 4.385 -3.979
146 HD1 TRP 16 HD TRP 16 2.104 3.962 -2.672
147 HE1 TRP 16 1HE TRP 16 0.395 5.515 -1.553
148 HE3 TRP 16 3HE TRP 16 4.825 8.282 -2.658
149 HZ2 TRP 16 2HZ TRP 16 0.224 8.227 -0.758
150 HZ3 TRP 16 3HZ TRP 16 3.818 10.308 -1.704
151 HH2 TRP 16 HH TRP 16 1.574 10.275 -0.767
152 H LEU 17 H LEU 17 4.787 5.068 -0.088
153 HA LEU 17 HA LEU 17 5.293 7.807 0.396
154 HB2 LEU 17 2HB LEU 17 4.552 5.467 2.107
155 HB3 LEU 17 1HB LEU 17 4.996 6.982 2.865
156 HG LEU 17 HG LEU 17 2.795 6.762 0.815
157 HD11 LEU 17 2HD1 LEU 17 1.241 6.800 2.713
158 HD12 LEU 17 3HD1 LEU 17 2.600 6.675 3.829
159 HD13 LEU 17 1HD1 LEU 17 2.241 5.348 2.726
160 HD21 LEU 17 1HD2 LEU 17 2.103 8.903 1.777
161 HD22 LEU 17 2HD2 LEU 17 3.744 8.990 1.138
162 HD23 LEU 17 3HD2 LEU 17 3.481 8.860 2.876
163 H LEU 18 H LEU 18 6.906 4.855 1.496
164 HA LEU 18 HA LEU 18 8.983 6.225 2.884
165 HB2 LEU 18 2HB LEU 18 8.485 3.386 2.080
166 HB3 LEU 18 1HB LEU 18 10.062 3.850 2.681
167 HG LEU 18 HG LEU 18 9.120 4.505 4.815
168 HD11 LEU 18 2HD1 LEU 18 6.437 3.737 3.670
169 HD12 LEU 18 3HD1 LEU 18 6.968 5.378 4.037
170 HD13 LEU 18 1HD1 LEU 18 6.761 4.207 5.339
171 HD21 LEU 18 1HD2 LEU 18 8.083 1.833 3.899
172 HD22 LEU 18 2HD2 LEU 18 8.318 2.328 5.576
173 HD23 LEU 18 3HD2 LEU 18 9.707 2.169 4.501
174 H LYS 19 H LYS 19 8.499 5.213 -0.388
175 HA LYS 19 HA LYS 19 11.203 5.189 -1.220
176 HB2 LYS 19 2HB LYS 19 9.370 4.172 -2.521
177 HB3 LYS 19 1HB LYS 19 8.711 5.771 -2.831
178 HG2 LYS 19 2HG LYS 19 10.596 6.369 -4.167
179 HG3 LYS 19 1HG LYS 19 11.453 4.897 -3.707
180 HD2 LYS 19 2HD LYS 19 10.518 4.679 -5.941
181 HD3 LYS 19 1HD LYS 19 9.739 3.552 -4.831
182 HE2 LYS 19 2HE LYS 19 7.851 5.106 -4.608
183 HE3 LYS 19 1HE LYS 19 8.631 6.205 -5.742
184 HZ1 LYS 19 2HZ LYS 19 8.498 4.490 -7.437
185 HZ2 LYS 19 3HZ LYS 19 6.963 4.854 -6.833
186 HZ3 LYS 19 1HZ LYS 19 7.745 3.438 -6.346
187 H ILE 20 H ILE 20 8.942 7.718 -0.590
188 HA ILE 20 HA ILE 20 10.537 9.721 -1.965
189 HB ILE 20 HB ILE 20 7.996 9.983 -0.355
190 HG12 ILE 20 2HG1 ILE 20 8.490 10.104 -3.338
191 HG13 ILE 20 1HG1 ILE 20 7.758 8.752 -2.480
192 HG21 ILE 20 1HG2 ILE 20 9.438 12.046 -2.013
193 HG22 ILE 20 2HG2 ILE 20 9.294 12.039 -0.256
194 HG23 ILE 20 3HG2 ILE 20 7.858 12.254 -1.259
195 HD11 ILE 20 2HD1 ILE 20 5.906 10.212 -1.810
196 HD12 ILE 20 3HD1 ILE 20 6.063 10.079 -3.561
197 HD13 ILE 20 1HD1 ILE 20 6.630 11.529 -2.731
198 H SER 21 H SER 21 9.772 8.687 1.307
199 HA SER 21 HA SER 21 11.113 10.937 2.505
200 HB2 SER 21 2HB SER 21 10.646 9.641 4.646
201 HB3 SER 21 1HB SER 21 9.235 10.125 3.706
202 HG SER 21 HG SER 21 9.722 7.746 4.523
203 H ASN 22 H ASN 22 11.872 7.611 1.738
204 HA ASN 22 HA ASN 22 14.401 7.794 3.207
205 HB2 ASN 22 2HB ASN 22 12.927 5.479 1.962
206 HB3 ASN 22 1HB ASN 22 14.600 5.339 2.482
207 HD21 ASN 22 1HD2 ASN 22 12.333 7.341 4.194
208 HD22 ASN 22 2HD2 ASN 22 12.203 6.337 5.595
Start of MODEL 10
1 H1 THR 1 1HT THR 1 -10.497 -10.894 -1.453
2 H2 THR 1 2HT THR 1 -11.001 -10.377 -2.986
3 H3 THR 1 3HT THR 1 -11.756 -11.697 -2.250
4 HA THR 1 HA THR 1 -13.148 -9.751 -2.117
5 HB THR 1 HB THR 1 -12.097 -10.183 0.665
6 HG1 THR 1 1HG THR 1 -12.804 -12.265 0.678
7 HG21 THR 1 1HG2 THR 1 -14.862 -10.092 -0.555
8 HG22 THR 1 2HG2 THR 1 -14.108 -8.853 0.448
9 HG23 THR 1 3HG2 THR 1 -14.529 -10.414 1.146
10 H ASP 2 H ASP 2 -13.370 -7.713 -0.523
11 HA ASP 2 HA ASP 2 -11.602 -5.758 -1.375
12 HB2 ASP 2 2HB ASP 2 -13.777 -5.180 -0.489
13 HB3 ASP 2 1HB ASP 2 -13.339 -5.801 1.098
14 H GLU 3 H GLU 3 -11.503 -7.741 1.529
15 HA GLU 3 HA GLU 3 -9.497 -6.475 2.960
16 HB2 GLU 3 2HB GLU 3 -9.969 -9.449 2.704
17 HB3 GLU 3 1HB GLU 3 -9.050 -8.667 3.981
18 HG2 GLU 3 2HG GLU 3 -11.081 -7.484 4.691
19 HG3 GLU 3 1HG GLU 3 -11.987 -8.330 3.439
20 H ASP 4 H ASP 4 -9.236 -8.718 0.256
21 HA ASP 4 HA ASP 4 -6.421 -9.069 0.373
22 HB2 ASP 4 2HB ASP 4 -8.279 -9.345 -2.001
23 HB3 ASP 4 1HB ASP 4 -6.641 -9.980 -1.897
24 H VAL 5 H VAL 5 -8.537 -6.941 -1.492
25 HA VAL 5 HA VAL 5 -6.449 -5.742 -2.976
26 HB VAL 5 HB VAL 5 -9.249 -4.776 -2.424
27 HG11 VAL 5 2HG1 VAL 5 -7.169 -3.715 -4.338
28 HG12 VAL 5 3HG1 VAL 5 -7.827 -2.880 -2.930
29 HG13 VAL 5 1HG1 VAL 5 -8.866 -3.230 -4.313
30 HG21 VAL 5 1HG2 VAL 5 -9.198 -6.819 -3.681
31 HG22 VAL 5 2HG2 VAL 5 -7.956 -6.176 -4.753
32 HG23 VAL 5 3HG2 VAL 5 -9.584 -5.496 -4.782
33 H LYS 6 H LYS 6 -8.283 -4.650 -0.133
34 HA LYS 6 HA LYS 6 -7.022 -2.233 0.310
35 HB2 LYS 6 2HB LYS 6 -8.991 -3.081 1.549
36 HB3 LYS 6 1HB LYS 6 -7.954 -4.235 2.377
37 HG2 LYS 6 2HG LYS 6 -6.649 -2.296 3.253
38 HG3 LYS 6 1HG LYS 6 -7.895 -1.245 2.582
39 HD2 LYS 6 2HD LYS 6 -8.323 -3.414 4.635
40 HD3 LYS 6 1HD LYS 6 -8.283 -1.681 4.959
41 HE2 LYS 6 2HE LYS 6 -10.240 -1.358 3.550
42 HE3 LYS 6 1HE LYS 6 -10.265 -3.077 3.164
43 HZ1 LYS 6 2HZ LYS 6 -10.609 -1.929 5.877
44 HZ2 LYS 6 3HZ LYS 6 -10.679 -3.569 5.477
45 HZ3 LYS 6 1HZ LYS 6 -11.859 -2.507 4.895
46 H LYS 7 H LYS 7 -5.976 -5.488 0.941
47 HA LYS 7 HA LYS 7 -3.884 -4.932 2.744
48 HB2 LYS 7 2HB LYS 7 -5.017 -7.187 2.116
49 HB3 LYS 7 1HB LYS 7 -3.824 -7.241 0.829
50 HG2 LYS 7 2HG LYS 7 -2.536 -6.630 3.312
51 HG3 LYS 7 1HG LYS 7 -3.534 -8.071 3.493
52 HD2 LYS 7 2HD LYS 7 -1.500 -8.936 2.785
53 HD3 LYS 7 1HD LYS 7 -2.422 -8.830 1.287
54 HE2 LYS 7 2HE LYS 7 -1.323 -6.698 0.774
55 HE3 LYS 7 1HE LYS 7 -0.388 -6.828 2.262
56 HZ1 LYS 7 2HZ LYS 7 -0.235 -8.559 -0.133
57 HZ2 LYS 7 3HZ LYS 7 0.467 -8.984 1.346
58 HZ3 LYS 7 1HZ LYS 7 0.988 -7.592 0.531
59 H TRP 8 H TRP 8 -3.807 -5.549 -0.796
60 HA TRP 8 HA TRP 8 -1.025 -4.912 -0.924
61 HB2 TRP 8 2HB TRP 8 -1.148 -5.221 -3.259
62 HB3 TRP 8 1HB TRP 8 -2.248 -6.399 -2.570
63 HD1 TRP 8 HD TRP 8 -4.672 -6.358 -3.362
64 HE1 TRP 8 1HE TRP 8 -6.005 -4.981 -5.082
65 HE3 TRP 8 3HE TRP 8 -1.291 -2.660 -4.171
66 HZ2 TRP 8 2HZ TRP 8 -5.649 -2.607 -6.569
67 HZ3 TRP 8 3HZ TRP 8 -1.860 -0.860 -5.754
68 HH2 TRP 8 HH TRP 8 -3.994 -0.835 -6.926
69 H ARG 9 H ARG 9 -3.994 -3.147 -1.272
70 HA ARG 9 HA ARG 9 -3.032 -0.912 -2.582
71 HB2 ARG 9 2HB ARG 9 -5.336 -1.357 -0.739
72 HB3 ARG 9 1HB ARG 9 -4.923 0.284 -1.215
73 HG2 ARG 9 2HG ARG 9 -5.124 -0.418 -3.587
74 HG3 ARG 9 1HG ARG 9 -5.692 -1.991 -3.023
75 HD2 ARG 9 2HD ARG 9 -7.570 -0.556 -3.603
76 HD3 ARG 9 1HD ARG 9 -7.558 -0.901 -1.873
77 HE ARG 9 HE ARG 9 -6.182 1.516 -2.423
78 HH11 ARG 9 1HH1 ARG 9 -9.410 0.181 -2.248
79 HH12 ARG 9 2HH1 ARG 9 -10.151 1.686 -1.806
80 HH21 ARG 9 1HH2 ARG 9 -7.156 3.512 -1.860
81 HH22 ARG 9 2HH2 ARG 9 -8.869 3.585 -1.601
82 H GLU 10 H GLU 10 -3.329 -1.497 0.904
83 HA GLU 10 HA GLU 10 -2.041 0.955 1.584
84 HB2 GLU 10 2HB GLU 10 -2.124 0.167 3.868
85 HB3 GLU 10 1HB GLU 10 -3.658 -0.141 3.066
86 HG2 GLU 10 2HG GLU 10 -3.088 -2.466 2.791
87 HG3 GLU 10 1HG GLU 10 -1.499 -2.189 3.500
88 H GLU 11 H GLU 11 -1.005 -2.320 1.023
89 HA GLU 11 HA GLU 11 1.573 -2.202 2.116
90 HB2 GLU 11 2HB GLU 11 0.541 -4.289 1.362
91 HB3 GLU 11 1HB GLU 11 0.565 -3.718 -0.299
92 HG2 GLU 11 2HG GLU 11 3.017 -3.690 -0.238
93 HG3 GLU 11 1HG GLU 11 2.967 -4.316 1.410
94 H ARG 12 H ARG 12 0.532 -1.695 -1.255
95 HA ARG 12 HA ARG 12 3.041 -0.726 -2.139
96 HB2 ARG 12 2HB ARG 12 0.263 -0.483 -3.279
97 HB3 ARG 12 1HB ARG 12 1.679 0.179 -4.082
98 HG2 ARG 12 2HG ARG 12 2.660 -2.095 -4.117
99 HG3 ARG 12 1HG ARG 12 1.149 -2.711 -3.444
100 HD2 ARG 12 2HD ARG 12 1.250 -2.968 -5.886
101 HD3 ARG 12 1HD ARG 12 -0.074 -1.919 -5.381
102 HE ARG 12 HE ARG 12 2.072 -0.258 -5.898
103 HH11 ARG 12 1HH1 ARG 12 0.142 -2.558 -7.696
104 HH12 ARG 12 2HH1 ARG 12 0.301 -1.705 -9.198
105 HH21 ARG 12 1HH2 ARG 12 2.299 0.860 -7.864
106 HH22 ARG 12 2HH2 ARG 12 1.543 0.238 -9.299
107 H LYS 13 H LYS 13 0.263 0.793 -0.681
108 HA LYS 13 HA LYS 13 0.850 3.468 -1.267
109 HB2 LYS 13 2HB LYS 13 -1.131 2.199 0.106
110 HB3 LYS 13 1HB LYS 13 -0.230 2.932 1.425
111 HG2 LYS 13 2HG LYS 13 -1.929 4.456 0.816
112 HG3 LYS 13 1HG LYS 13 -0.410 5.116 0.201
113 HD2 LYS 13 2HD LYS 13 -0.932 4.156 -2.016
114 HD3 LYS 13 1HD LYS 13 -2.475 3.593 -1.384
115 HE2 LYS 13 2HE LYS 13 -3.038 5.959 -0.841
116 HE3 LYS 13 1HE LYS 13 -1.552 6.445 -1.655
117 HZ1 LYS 13 2HZ LYS 13 -3.788 4.964 -2.931
118 HZ2 LYS 13 3HZ LYS 13 -2.382 5.503 -3.698
119 HZ3 LYS 13 1HZ LYS 13 -3.497 6.621 -3.096
120 H LYS 14 H LYS 14 1.840 1.405 1.441
121 HA LYS 14 HA LYS 14 3.427 3.382 2.705
122 HB2 LYS 14 2HB LYS 14 3.554 0.369 2.862
123 HB3 LYS 14 1HB LYS 14 4.447 1.457 3.912
124 HG2 LYS 14 2HG LYS 14 1.447 1.309 3.702
125 HG3 LYS 14 1HG LYS 14 2.424 0.586 4.976
126 HD2 LYS 14 2HD LYS 14 2.325 3.537 4.355
127 HD3 LYS 14 1HD LYS 14 1.389 2.748 5.622
128 HE2 LYS 14 2HE LYS 14 4.400 2.737 5.454
129 HE3 LYS 14 1HE LYS 14 3.456 3.843 6.448
130 HZ1 LYS 14 2HZ LYS 14 3.452 0.883 6.701
131 HZ2 LYS 14 3HZ LYS 14 2.583 1.962 7.670
132 HZ3 LYS 14 1HZ LYS 14 4.273 1.953 7.719
133 H MET 15 H MET 15 4.026 1.095 0.141
134 HA MET 15 HA MET 15 6.826 1.060 0.223
135 HB2 MET 15 2HB MET 15 4.964 0.668 -2.120
136 HB3 MET 15 1HB MET 15 6.692 0.353 -2.172
137 HG2 MET 15 2HG MET 15 4.655 -1.042 -0.454
138 HG3 MET 15 1HG MET 15 5.489 -1.704 -1.858
139 HE1 MET 15 2HE MET 15 8.081 -2.268 -1.912
140 HE2 MET 15 3HE MET 15 9.177 -1.971 -0.561
141 HE3 MET 15 1HE MET 15 8.458 -0.615 -1.430
142 H TRP 16 H TRP 16 4.624 3.156 -1.666
143 HA TRP 16 HA TRP 16 6.833 4.596 -2.786
144 HB2 TRP 16 2HB TRP 16 5.235 6.026 -3.845
145 HB3 TRP 16 1HB TRP 16 4.607 4.389 -3.918
146 HD1 TRP 16 HD TRP 16 2.264 3.946 -2.875
147 HE1 TRP 16 1HE TRP 16 0.502 5.445 -1.760
148 HE3 TRP 16 3HE TRP 16 5.057 8.178 -2.259
149 HZ2 TRP 16 2HZ TRP 16 0.313 8.070 -0.745
150 HZ3 TRP 16 3HZ TRP 16 4.012 10.136 -1.205
151 HH2 TRP 16 HH TRP 16 1.701 10.077 -0.460
152 H LEU 17 H LEU 17 4.797 4.936 0.021
153 HA LEU 17 HA LEU 17 5.427 7.574 0.738
154 HB2 LEU 17 2HB LEU 17 4.636 5.142 2.316
155 HB3 LEU 17 1HB LEU 17 5.026 6.648 3.125
156 HG LEU 17 HG LEU 17 2.899 6.431 0.995
157 HD11 LEU 17 2HD1 LEU 17 1.287 6.449 2.865
158 HD12 LEU 17 3HD1 LEU 17 2.625 6.266 3.999
159 HD13 LEU 17 1HD1 LEU 17 2.271 4.987 2.840
160 HD21 LEU 17 1HD2 LEU 17 3.777 8.671 1.363
161 HD22 LEU 17 2HD2 LEU 17 3.510 8.510 3.098
162 HD23 LEU 17 3HD2 LEU 17 2.134 8.544 1.995
163 H LEU 18 H LEU 18 7.070 4.498 1.393
164 HA LEU 18 HA LEU 18 9.117 5.577 3.036
165 HB2 LEU 18 2HB LEU 18 9.387 3.140 1.277
166 HB3 LEU 18 1HB LEU 18 10.259 3.494 2.754
167 HG LEU 18 HG LEU 18 7.366 2.705 2.487
168 HD11 LEU 18 2HD1 LEU 18 8.051 0.795 3.849
169 HD12 LEU 18 3HD1 LEU 18 9.713 1.382 3.830
170 HD13 LEU 18 1HD1 LEU 18 8.942 0.871 2.329
171 HD21 LEU 18 1HD2 LEU 18 8.857 3.535 4.971
172 HD22 LEU 18 2HD2 LEU 18 7.235 2.842 4.919
173 HD23 LEU 18 3HD2 LEU 18 7.541 4.419 4.196
174 H LYS 19 H LYS 19 8.792 5.021 -0.409
175 HA LYS 19 HA LYS 19 11.439 5.508 -1.184
176 HB2 LYS 19 2HB LYS 19 9.809 4.425 -2.638
177 HB3 LYS 19 1HB LYS 19 8.862 5.902 -2.710
178 HG2 LYS 19 2HG LYS 19 10.572 7.019 -3.951
179 HG3 LYS 19 1HG LYS 19 11.683 5.666 -3.726
180 HD2 LYS 19 2HD LYS 19 10.703 5.634 -5.964
181 HD3 LYS 19 1HD LYS 19 10.202 4.227 -5.030
182 HE2 LYS 19 2HE LYS 19 8.070 5.339 -4.524
183 HE3 LYS 19 1HE LYS 19 8.574 6.719 -5.496
184 HZ1 LYS 19 2HZ LYS 19 8.116 3.951 -6.467
185 HZ2 LYS 19 3HZ LYS 19 8.718 5.215 -7.417
186 HZ3 LYS 19 1HZ LYS 19 7.151 5.302 -6.784
187 H ILE 20 H ILE 20 8.670 7.716 -0.902
188 HA ILE 20 HA ILE 20 10.231 9.969 -1.782
189 HB ILE 20 HB ILE 20 7.477 9.885 -0.533
190 HG12 ILE 20 2HG1 ILE 20 8.419 10.009 -3.405
191 HG13 ILE 20 1HG1 ILE 20 7.523 8.701 -2.640
192 HG21 ILE 20 1HG2 ILE 20 7.205 12.151 -1.441
193 HG22 ILE 20 2HG2 ILE 20 8.890 12.137 -1.960
194 HG23 ILE 20 3HG2 ILE 20 8.497 12.076 -0.243
195 HD11 ILE 20 2HD1 ILE 20 6.503 11.480 -3.181
196 HD12 ILE 20 3HD1 ILE 20 5.602 10.197 -2.376
197 HD13 ILE 20 1HD1 ILE 20 6.078 10.012 -4.062
198 H SER 21 H SER 21 9.733 8.358 1.186
199 HA SER 21 HA SER 21 10.359 10.655 2.833
200 HB2 SER 21 2HB SER 21 8.823 8.757 3.544
201 HB3 SER 21 1HB SER 21 10.267 7.762 3.701
202 HG SER 21 HG SER 21 10.519 10.166 4.966
203 H ASN 22 H ASN 22 12.110 8.631 0.898
204 HA ASN 22 HA ASN 22 14.395 8.084 2.475
205 HB2 ASN 22 2HB ASN 22 13.944 6.858 0.409
206 HB3 ASN 22 1HB ASN 22 14.114 8.337 -0.529
207 HD21 ASN 22 1HD2 ASN 22 16.157 9.207 -0.856
208 HD22 ASN 22 2HD2 ASN 22 17.600 8.298 -0.579