Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
580643 | 2mdl RC | 18363 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H THR 1 1.806 0.001 0.856
2 HA THR 1 HA THR 1 1.469 0.416 -2.018
3 HB THR 1 HB THR 1 3.951 0.743 -2.017
4 HG1 THR 1 HG1 THR 1 4.940 0.975 0.053
5 HG21 THR 1 3HG2 THR 1 3.037 2.626 0.056
6 HG22 THR 1 1HG2 THR 1 1.994 2.500 -1.360
7 HG23 THR 1 2HG2 THR 1 3.692 2.939 -1.551
8 H CYS 2 H CYS 2 2.320 -0.957 -3.575
9 HA CYS 2 HA CYS 2 3.273 -3.574 -2.620
10 HB2 CYS 2 2HB CYS 2 1.470 -3.201 -5.013
11 HB3 CYS 2 3HB CYS 2 1.942 -4.715 -4.248
12 H HIS 3 H HIS 3 5.365 -3.573 -3.168
13 HA HIS 3 HA HIS 3 6.041 -3.296 -5.987
14 HB2 HIS 3 2HB HIS 3 6.917 -1.436 -3.854
15 HB3 HIS 3 3HB HIS 3 8.167 -1.978 -4.970
16 HD1 HIS 3 HD1 HIS 3 6.835 0.955 -4.722
17 HD2 HIS 3 HD2 HIS 3 6.144 -1.892 -7.668
18 HE1 HIS 3 HE1 HIS 3 6.010 2.241 -6.719
19 H ILE 4 H ILE 4 6.727 -5.343 -6.261
20 HA ILE 4 HA ILE 4 9.115 -6.158 -4.797
21 HB ILE 4 HB ILE 4 6.771 -8.034 -5.098
22 HG12 ILE 4 2HG1 ILE 4 7.766 -6.636 -2.606
23 HG13 ILE 4 3HG1 ILE 4 6.292 -6.224 -3.476
24 HG21 ILE 4 1HG2 ILE 4 9.555 -8.387 -4.465
25 HG22 ILE 4 2HG2 ILE 4 8.541 -8.914 -3.123
26 HG23 ILE 4 3HG2 ILE 4 8.304 -9.600 -4.730
27 HD11 ILE 4 3HD1 ILE 4 5.466 -8.524 -3.021
28 HD12 ILE 4 1HD1 ILE 4 6.887 -8.778 -2.008
29 HD13 ILE 4 2HD1 ILE 4 5.708 -7.538 -1.579
30 H ARG 5 H ARG 5 10.478 -7.508 -5.941
31 HA ARG 5 HA ARG 5 10.095 -7.524 -8.794
32 HB2 ARG 5 2HB ARG 5 12.344 -8.483 -8.881
33 HB3 ARG 5 3HB ARG 5 12.302 -7.071 -7.835
34 HG2 ARG 5 2HG ARG 5 12.206 -8.542 -5.873
35 HG3 ARG 5 3HG ARG 5 12.298 -9.945 -6.940
36 HD2 ARG 5 2HD ARG 5 14.381 -7.787 -7.004
37 HD3 ARG 5 3HD ARG 5 14.464 -9.108 -5.839
38 HE ARG 5 HE ARG 5 14.112 -10.242 -8.352
39 HH11 ARG 5 1HH1 ARG 5 16.487 -8.335 -6.665
40 HH12 ARG 5 2HH1 ARG 5 17.826 -8.974 -7.560
41 HH21 ARG 5 1HH2 ARG 5 15.866 -11.091 -9.537
42 HH22 ARG 5 2HH2 ARG 5 17.472 -10.541 -9.194
43 H ARG 6 H ARG 6 10.086 -9.888 -6.185
44 HA ARG 6 HA ARG 6 9.107 -11.896 -8.106
45 HB2 ARG 6 2HB ARG 6 11.079 -12.163 -5.864
46 HB3 ARG 6 3HB ARG 6 10.098 -13.545 -6.334
47 HG2 ARG 6 2HG ARG 6 11.566 -12.072 -8.456
48 HG3 ARG 6 3HG ARG 6 12.476 -13.127 -7.372
49 HD2 ARG 6 2HD ARG 6 10.735 -14.908 -7.924
50 HD3 ARG 6 3HD ARG 6 10.232 -13.845 -9.237
51 HE ARG 6 HE ARG 6 12.899 -14.077 -9.618
52 HH11 ARG 6 1HH1 ARG 6 10.333 -16.389 -9.187
53 HH12 ARG 6 2HH1 ARG 6 11.095 -17.610 -10.152
54 HH21 ARG 6 1HH2 ARG 6 13.912 -15.676 -10.891
55 HH22 ARG 6 2HH2 ARG 6 13.131 -17.203 -11.120
56 H LYS 7 H LYS 7 6.945 -11.622 -7.722
57 HA LYS 7 HA LYS 7 5.669 -11.142 -5.323
58 HB2 LYS 7 2HB LYS 7 3.680 -12.272 -6.381
59 HB3 LYS 7 3HB LYS 7 4.419 -11.001 -7.347
60 HG2 LYS 7 2HG LYS 7 4.021 -12.680 -8.888
61 HG3 LYS 7 3HG LYS 7 5.722 -12.909 -8.477
62 HD2 LYS 7 2HD LYS 7 5.337 -14.876 -7.408
63 HD3 LYS 7 3HD LYS 7 3.747 -14.373 -6.829
64 HE2 LYS 7 2HE LYS 7 3.218 -16.011 -8.375
65 HE3 LYS 7 3HE LYS 7 3.065 -14.534 -9.324
66 HZ1 LYS 7 3HZ LYS 7 5.047 -14.946 -10.429
67 HZ2 LYS 7 1HZ LYS 7 4.350 -16.484 -10.324
68 HZ3 LYS 7 2HZ LYS 7 5.598 -16.047 -9.269
69 HA PRO 8 HA PRO 8 5.927 -14.781 -2.882
70 HB2 PRO 8 2HB PRO 8 3.504 -14.780 -1.658
71 HB3 PRO 8 3HB PRO 8 4.785 -13.631 -1.253
72 HG2 PRO 8 2HG PRO 8 2.391 -13.258 -3.012
73 HG3 PRO 8 3HG PRO 8 3.074 -12.155 -1.803
74 HD2 PRO 8 2HD PRO 8 3.519 -11.863 -4.458
75 HD3 PRO 8 3HD PRO 8 4.720 -11.406 -3.233
76 H LYS 9 H LYS 9 5.712 -16.893 -3.284
77 HA LYS 9 HA LYS 9 3.261 -18.093 -4.108
78 HB2 LYS 9 2HB LYS 9 4.255 -17.004 -6.230
79 HB3 LYS 9 3HB LYS 9 5.457 -18.285 -6.155
80 HG2 LYS 9 2HG LYS 9 2.615 -19.095 -5.999
81 HG3 LYS 9 3HG LYS 9 3.206 -18.500 -7.552
82 HD2 LYS 9 2HD LYS 9 5.208 -20.195 -6.817
83 HD3 LYS 9 3HD LYS 9 3.794 -21.004 -6.138
84 HE2 LYS 9 2HE LYS 9 4.119 -21.839 -8.350
85 HE3 LYS 9 3HE LYS 9 2.700 -20.792 -8.375
86 HZ1 LYS 9 3HZ LYS 9 5.216 -19.485 -8.973
87 HZ2 LYS 9 1HZ LYS 9 3.705 -19.321 -9.717
88 HZ3 LYS 9 2HZ LYS 9 4.710 -20.621 -10.120
89 H PHE 10 H PHE 10 3.359 -20.388 -4.136
90 HA PHE 10 HA PHE 10 4.018 -22.377 -3.241
91 HB2 PHE 10 2HB PHE 10 5.557 -22.064 -5.272
92 HB3 PHE 10 3HB PHE 10 6.809 -21.647 -4.108
93 HD1 PHE 10 HD2 PHE 10 4.184 -24.290 -4.387
94 HD2 PHE 10 HD1 PHE 10 8.276 -23.347 -3.694
95 HE1 PHE 10 HE2 PHE 10 4.677 -26.679 -4.069
96 HE2 PHE 10 HE1 PHE 10 8.776 -25.735 -3.376
97 HZ PHE 10 HZ PHE 10 6.975 -27.405 -3.562
98 H ARG 11 H ARG 11 3.759 -20.559 -1.286
99 HA ARG 11 HA ARG 11 6.109 -21.003 0.437
100 HB2 ARG 11 2HB ARG 11 5.493 -18.969 1.648
101 HB3 ARG 11 3HB ARG 11 5.762 -18.629 -0.056
102 HG2 ARG 11 2HG ARG 11 2.984 -19.231 0.732
103 HG3 ARG 11 3HG ARG 11 3.662 -17.711 1.319
104 HD2 ARG 11 2HD ARG 11 4.244 -17.079 -0.962
105 HD3 ARG 11 3HD ARG 11 3.610 -18.612 -1.559
106 HE ARG 11 HE ARG 11 2.097 -16.286 -0.789
107 HH11 ARG 11 1HH1 ARG 11 2.030 -19.733 -1.273
108 HH12 ARG 11 2HH1 ARG 11 0.317 -19.795 -1.527
109 HH21 ARG 11 1HH2 ARG 11 -0.158 -16.355 -1.122
110 HH22 ARG 11 2HH2 ARG 11 -0.926 -17.873 -1.442
111 H LYS 12 H LYS 12 5.773 -21.660 2.559
112 HA LYS 12 HA LYS 12 3.334 -23.138 2.997
113 HB2 LYS 12 2HB LYS 12 5.945 -22.875 4.449
114 HB3 LYS 12 3HB LYS 12 4.565 -23.612 5.252
115 HG2 LYS 12 2HG LYS 12 4.460 -25.364 3.664
116 HG3 LYS 12 3HG LYS 12 5.594 -24.545 2.587
117 HD2 LYS 12 2HD LYS 12 6.928 -26.145 3.609
118 HD3 LYS 12 3HD LYS 12 7.232 -24.708 4.588
119 HE2 LYS 12 2HE LYS 12 5.665 -25.477 6.263
120 HE3 LYS 12 3HE LYS 12 5.233 -26.864 5.264
121 HZ1 LYS 12 3HZ LYS 12 8.051 -26.519 5.964
122 HZ2 LYS 12 1HZ LYS 12 7.154 -27.939 5.758
123 HZ3 LYS 12 2HZ LYS 12 7.001 -27.042 7.184
124 H PHE 13 H PHE 13 5.091 -21.047 5.276
125 HA PHE 13 HA PHE 13 2.643 -20.325 6.595
126 HB2 PHE 13 2HB PHE 13 5.500 -19.419 6.986
127 HB3 PHE 13 3HB PHE 13 4.158 -18.883 7.992
128 HD1 PHE 13 HD1 PHE 13 6.152 -21.815 6.978
129 HD2 PHE 13 HD2 PHE 13 3.302 -20.244 9.721
130 HE1 PHE 13 HE1 PHE 13 6.444 -23.795 8.410
131 HE2 PHE 13 HE2 PHE 13 3.590 -22.220 11.158
132 HZ PHE 13 HZ PHE 13 5.163 -23.999 10.504
133 H LYS 14 H LYS 14 1.444 -18.540 6.339
134 HA LYS 14 HA LYS 14 2.270 -16.634 4.277
135 HB2 LYS 14 2HB LYS 14 -0.378 -17.366 5.495
136 HB3 LYS 14 3HB LYS 14 -0.186 -15.867 4.596
137 HG2 LYS 14 2HG LYS 14 0.586 -18.512 3.417
138 HG3 LYS 14 3HG LYS 14 -1.070 -17.904 3.343
139 HD2 LYS 14 2HD LYS 14 1.222 -16.196 2.448
140 HD3 LYS 14 3HD LYS 14 0.544 -17.422 1.373
141 HE2 LYS 14 2HE LYS 14 -1.084 -15.273 2.721
142 HE3 LYS 14 3HE LYS 14 -0.421 -15.128 1.094
143 HZ1 LYS 14 3HZ LYS 14 -1.702 -17.513 1.030
144 HZ2 LYS 14 1HZ LYS 14 -2.329 -16.051 0.452
145 HZ3 LYS 14 2HZ LYS 14 -2.722 -16.584 2.009
146 H LEU 15 H LEU 15 2.524 -14.476 4.645
147 HA LEU 15 HA LEU 15 3.093 -12.613 5.827
148 HB2 LEU 15 2HB LEU 15 0.558 -13.545 7.096
149 HB3 LEU 15 3HB LEU 15 1.417 -12.169 7.784
150 HG LEU 15 HG LEU 15 -0.405 -11.486 6.288
151 HD11 LEU 15 1HD1 LEU 15 1.388 -10.332 4.579
152 HD12 LEU 15 2HD1 LEU 15 2.401 -10.746 5.961
153 HD13 LEU 15 3HD1 LEU 15 0.976 -9.732 6.185
154 HD21 LEU 15 3HD2 LEU 15 0.031 -13.567 4.781
155 HD22 LEU 15 1HD2 LEU 15 1.152 -12.491 3.947
156 HD23 LEU 15 2HD2 LEU 15 -0.556 -12.066 4.063
157 H TYR 16 H TYR 16 4.435 -15.037 6.583
158 HA TYR 16 HA TYR 16 4.611 -15.483 9.320
159 HB2 TYR 16 2HB TYR 16 7.035 -16.164 8.745
160 HB3 TYR 16 3HB TYR 16 5.721 -17.043 7.973
161 HD1 TYR 16 HD1 TYR 16 7.613 -13.884 7.289
162 HD2 TYR 16 HD2 TYR 16 6.124 -17.570 5.772
163 HE1 TYR 16 HE1 TYR 16 8.564 -13.354 5.084
164 HE2 TYR 16 HE2 TYR 16 7.072 -17.050 3.563
165 HH TYR 16 HH TYR 16 8.679 -15.689 2.522
166 H HIS 17 H HIS 17 6.901 -15.044 10.443
167 HA HIS 17 HA HIS 17 7.009 -12.159 10.749
168 HB2 HIS 17 2HB HIS 17 7.886 -14.509 12.342
169 HB3 HIS 17 3HB HIS 17 8.804 -13.020 12.545
170 HD1 HIS 17 HD1 HIS 17 7.973 -12.542 14.904
171 HD2 HIS 17 HD2 HIS 17 4.908 -12.944 12.128
172 HE1 HIS 17 HE1 HIS 17 5.893 -11.762 16.082
173 H GLU 18 H GLU 18 7.944 -12.064 8.486
174 HA GLU 18 HA GLU 18 10.821 -11.786 8.723
175 HB2 GLU 18 2HB GLU 18 9.796 -14.101 7.568
176 HB3 GLU 18 3HB GLU 18 10.196 -13.080 6.195
177 HG2 GLU 18 2HG GLU 18 12.472 -12.848 6.999
178 HG3 GLU 18 3HG GLU 18 12.083 -13.812 8.422
179 H GLY 19 H GLY 19 10.580 -9.589 8.450
180 HA2 GLY 19 2HA GLY 19 10.496 -7.638 7.239
181 HA3 GLY 19 3HA GLY 19 10.465 -8.629 5.788
182 H LYS 20 H LYS 20 8.789 -6.376 7.500
183 HA LYS 20 HA LYS 20 6.116 -7.336 7.079
184 HB2 LYS 20 2HB LYS 20 7.376 -4.874 8.153
185 HB3 LYS 20 3HB LYS 20 5.755 -4.702 7.492
186 HG2 LYS 20 2HG LYS 20 5.342 -5.131 9.717
187 HG3 LYS 20 3HG LYS 20 5.191 -6.734 8.993
188 HD2 LYS 20 2HD LYS 20 7.881 -5.927 9.941
189 HD3 LYS 20 3HD LYS 20 6.663 -6.264 11.173
190 HE2 LYS 20 2HE LYS 20 6.557 -8.477 10.656
191 HE3 LYS 20 3HE LYS 20 6.916 -8.208 8.951
192 HZ1 LYS 20 3HZ LYS 20 8.981 -8.839 9.382
193 HZ2 LYS 20 1HZ LYS 20 8.676 -8.927 11.044
194 HZ3 LYS 20 2HZ LYS 20 9.183 -7.468 10.353
195 H PHE 21 H PHE 21 5.912 -7.782 4.888
196 HA PHE 21 HA PHE 21 5.008 -5.707 3.244
197 HB2 PHE 21 2HB PHE 21 7.707 -5.591 3.305
198 HB3 PHE 21 3HB PHE 21 7.482 -6.724 1.976
199 HD1 PHE 21 HD1 PHE 21 5.282 -5.840 0.477
200 HD2 PHE 21 HD2 PHE 21 8.154 -3.480 2.550
201 HE1 PHE 21 HE1 PHE 21 4.836 -3.963 -1.049
202 HE2 PHE 21 HE2 PHE 21 7.712 -1.599 1.028
203 HZ PHE 21 HZ PHE 21 6.050 -1.838 -0.775
204 H TRP 22 H TRP 22 3.394 -6.866 2.412
205 HA TRP 22 HA TRP 22 4.072 -9.284 0.898
206 HB2 TRP 22 2HB TRP 22 2.102 -9.043 3.133
207 HB3 TRP 22 3HB TRP 22 1.723 -10.112 1.786
208 HD1 TRP 22 HD1 TRP 22 4.453 -9.627 4.483
209 HE1 TRP 22 HE1 TRP 22 5.523 -11.920 4.956
210 HE3 TRP 22 HE3 TRP 22 2.039 -12.398 0.928
211 HZ2 TRP 22 HZ2 TRP 22 5.365 -14.554 3.954
212 HZ3 TRP 22 HZ3 TRP 22 2.557 -14.797 0.751
213 HH2 TRP 22 HH2 TRP 22 4.186 -15.851 2.233
214 H CYS 23 H CYS 23 3.901 -7.775 -0.889
215 HA CYS 23 HA CYS 23 1.424 -7.912 -2.199
216 HB2 CYS 23 2HB CYS 23 1.092 -6.048 -0.396
217 HB3 CYS 23 3HB CYS 23 2.046 -5.062 -1.500
218 HA PRO 24 HA PRO 24 4.898 -7.334 -5.053
219 HB2 PRO 24 2HB PRO 24 3.735 -8.722 -7.076
220 HB3 PRO 24 3HB PRO 24 4.584 -9.505 -5.738
221 HG2 PRO 24 2HG PRO 24 1.645 -9.093 -6.134
222 HG3 PRO 24 3HG PRO 24 2.505 -10.532 -5.555
223 HD2 PRO 24 2HD PRO 24 1.257 -8.808 -3.881
224 HD3 PRO 24 3HD PRO 24 2.724 -9.696 -3.418
Start of MODEL 2
1 H1 THR 1 H THR 1 3.121 0.624 -0.365
2 HA THR 1 HA THR 1 0.972 0.497 -2.199
3 HB THR 1 HB THR 1 2.254 2.300 -3.315
4 HG1 THR 1 HG1 THR 1 1.120 1.107 -4.753
5 HG21 THR 1 3HG2 THR 1 4.468 0.699 -2.637
6 HG22 THR 1 1HG2 THR 1 4.470 2.221 -3.527
7 HG23 THR 1 2HG2 THR 1 4.368 0.690 -4.398
8 H CYS 2 H CYS 2 1.262 -1.313 -3.784
9 HA CYS 2 HA CYS 2 2.675 -3.491 -2.465
10 HB2 CYS 2 2HB CYS 2 0.793 -3.563 -4.832
11 HB3 CYS 2 3HB CYS 2 1.393 -4.957 -3.940
12 H HIS 3 H HIS 3 4.771 -3.617 -2.988
13 HA HIS 3 HA HIS 3 5.463 -4.022 -5.783
14 HB2 HIS 3 2HB HIS 3 5.756 -1.522 -4.995
15 HB3 HIS 3 3HB HIS 3 7.222 -2.151 -4.248
16 HD1 HIS 3 HD1 HIS 3 5.641 -1.577 -7.608
17 HD2 HIS 3 HD2 HIS 3 9.295 -2.726 -5.998
18 HE1 HIS 3 HE1 HIS 3 7.265 -1.537 -9.528
19 H ILE 4 H ILE 4 7.336 -5.239 -6.092
20 HA ILE 4 HA ILE 4 9.184 -5.884 -4.065
21 HB ILE 4 HB ILE 4 7.205 -7.086 -3.142
22 HG12 ILE 4 2HG1 ILE 4 9.409 -8.933 -4.080
23 HG13 ILE 4 3HG1 ILE 4 9.564 -7.808 -2.734
24 HG21 ILE 4 1HG2 ILE 4 6.050 -8.690 -4.267
25 HG22 ILE 4 2HG2 ILE 4 6.541 -7.699 -5.639
26 HG23 ILE 4 3HG2 ILE 4 7.440 -9.163 -5.244
27 HD11 ILE 4 3HD1 ILE 4 8.149 -10.385 -2.903
28 HD12 ILE 4 1HD1 ILE 4 9.001 -9.638 -1.552
29 HD13 ILE 4 2HD1 ILE 4 7.366 -9.117 -1.961
30 H ARG 5 H ARG 5 10.836 -7.278 -4.786
31 HA ARG 5 HA ARG 5 11.479 -7.168 -7.468
32 HB2 ARG 5 2HB ARG 5 13.125 -8.997 -6.951
33 HB3 ARG 5 3HB ARG 5 13.196 -7.612 -5.870
34 HG2 ARG 5 2HG ARG 5 11.732 -8.936 -4.290
35 HG3 ARG 5 3HG ARG 5 12.048 -10.331 -5.324
36 HD2 ARG 5 2HD ARG 5 14.334 -10.325 -4.829
37 HD3 ARG 5 3HD ARG 5 14.287 -8.673 -4.215
38 HE ARG 5 HE ARG 5 12.642 -10.305 -2.622
39 HH11 ARG 5 1HH1 ARG 5 16.003 -9.749 -3.338
40 HH12 ARG 5 2HH1 ARG 5 16.556 -10.267 -1.779
41 HH21 ARG 5 1HH2 ARG 5 13.357 -10.990 -0.567
42 HH22 ARG 5 2HH2 ARG 5 15.050 -10.973 -0.204
43 H ARG 6 H ARG 6 10.018 -9.869 -5.680
44 HA ARG 6 HA ARG 6 8.871 -10.843 -8.181
45 HB2 ARG 6 2HB ARG 6 10.802 -12.339 -6.456
46 HB3 ARG 6 3HB ARG 6 9.517 -13.226 -7.265
47 HG2 ARG 6 2HG ARG 6 11.314 -11.375 -8.784
48 HG3 ARG 6 3HG ARG 6 11.791 -13.036 -8.428
49 HD2 ARG 6 2HD ARG 6 9.293 -12.192 -9.893
50 HD3 ARG 6 3HD ARG 6 10.753 -12.839 -10.639
51 HE ARG 6 HE ARG 6 8.702 -14.318 -9.266
52 HH11 ARG 6 1HH1 ARG 6 12.031 -14.292 -10.284
53 HH12 ARG 6 2HH1 ARG 6 12.185 -16.018 -10.269
54 HH21 ARG 6 1HH2 ARG 6 8.892 -16.591 -9.243
55 HH22 ARG 6 2HH2 ARG 6 10.399 -17.324 -9.678
56 H LYS 7 H LYS 7 6.789 -11.281 -7.904
57 HA LYS 7 HA LYS 7 5.399 -10.953 -5.543
58 HB2 LYS 7 2HB LYS 7 3.559 -12.248 -6.677
59 HB3 LYS 7 3HB LYS 7 4.206 -10.901 -7.605
60 HG2 LYS 7 2HG LYS 7 4.014 -12.589 -9.176
61 HG3 LYS 7 3HG LYS 7 5.715 -12.665 -8.712
62 HD2 LYS 7 2HD LYS 7 5.479 -14.668 -7.660
63 HD3 LYS 7 3HD LYS 7 3.822 -14.329 -7.156
64 HE2 LYS 7 2HE LYS 7 3.481 -14.461 -9.821
65 HE3 LYS 7 3HE LYS 7 4.844 -15.565 -9.637
66 HZ1 LYS 7 3HZ LYS 7 3.568 -17.093 -8.649
67 HZ2 LYS 7 1HZ LYS 7 2.264 -16.248 -9.319
68 HZ3 LYS 7 2HZ LYS 7 2.726 -15.960 -7.717
69 HA PRO 8 HA PRO 8 5.918 -14.585 -3.134
70 HB2 PRO 8 2HB PRO 8 3.468 -14.826 -1.989
71 HB3 PRO 8 3HB PRO 8 4.623 -13.569 -1.531
72 HG2 PRO 8 2HG PRO 8 2.261 -13.395 -3.362
73 HG3 PRO 8 3HG PRO 8 2.801 -12.250 -2.120
74 HD2 PRO 8 2HD PRO 8 3.300 -11.882 -4.756
75 HD3 PRO 8 3HD PRO 8 4.413 -11.332 -3.487
76 H LYS 9 H LYS 9 5.925 -16.696 -3.585
77 HA LYS 9 HA LYS 9 3.612 -18.094 -4.522
78 HB2 LYS 9 2HB LYS 9 4.585 -16.936 -6.590
79 HB3 LYS 9 3HB LYS 9 5.942 -18.044 -6.432
80 HG2 LYS 9 2HG LYS 9 4.392 -18.911 -8.043
81 HG3 LYS 9 3HG LYS 9 4.368 -19.939 -6.608
82 HD2 LYS 9 2HD LYS 9 2.424 -18.005 -6.127
83 HD3 LYS 9 3HD LYS 9 2.228 -18.423 -7.831
84 HE2 LYS 9 2HE LYS 9 2.615 -20.694 -5.995
85 HE3 LYS 9 3HE LYS 9 1.111 -19.799 -5.789
86 HZ1 LYS 9 3HZ LYS 9 0.427 -21.196 -7.398
87 HZ2 LYS 9 1HZ LYS 9 1.985 -21.476 -7.995
88 HZ3 LYS 9 2HZ LYS 9 1.154 -20.068 -8.428
89 H PHE 10 H PHE 10 3.876 -20.363 -4.496
90 HA PHE 10 HA PHE 10 4.637 -22.291 -3.551
91 HB2 PHE 10 2HB PHE 10 6.177 -22.012 -5.526
92 HB3 PHE 10 3HB PHE 10 7.356 -21.306 -4.426
93 HD1 PHE 10 HD1 PHE 10 5.131 -24.306 -4.377
94 HD2 PHE 10 HD2 PHE 10 9.057 -22.736 -3.893
95 HE1 PHE 10 HE1 PHE 10 5.960 -26.557 -3.831
96 HE2 PHE 10 HE2 PHE 10 9.893 -24.985 -3.347
97 HZ PHE 10 HZ PHE 10 8.344 -26.899 -3.316
98 H ARG 11 H ARG 11 4.139 -20.629 -1.584
99 HA ARG 11 HA ARG 11 6.497 -20.749 0.181
100 HB2 ARG 11 2HB ARG 11 5.582 -18.860 1.407
101 HB3 ARG 11 3HB ARG 11 5.751 -18.448 -0.294
102 HG2 ARG 11 2HG ARG 11 3.139 -19.474 0.712
103 HG3 ARG 11 3HG ARG 11 3.597 -17.797 1.014
104 HD2 ARG 11 2HD ARG 11 4.184 -17.970 -1.602
105 HD3 ARG 11 3HD ARG 11 2.876 -19.149 -1.511
106 HE ARG 11 HE ARG 11 2.288 -16.621 -0.258
107 HH11 ARG 11 1HH1 ARG 11 2.206 -18.468 -3.208
108 HH12 ARG 11 2HH1 ARG 11 0.939 -17.523 -3.918
109 HH21 ARG 11 1HH2 ARG 11 0.620 -15.370 -1.182
110 HH22 ARG 11 2HH2 ARG 11 0.038 -15.760 -2.765
111 H LYS 12 H LYS 12 6.236 -21.506 2.279
112 HA LYS 12 HA LYS 12 4.051 -23.358 2.635
113 HB2 LYS 12 2HB LYS 12 6.540 -22.716 4.195
114 HB3 LYS 12 3HB LYS 12 5.291 -23.756 4.868
115 HG2 LYS 12 2HG LYS 12 5.670 -25.433 3.326
116 HG3 LYS 12 3HG LYS 12 6.425 -24.337 2.167
117 HD2 LYS 12 2HD LYS 12 8.316 -24.069 3.792
118 HD3 LYS 12 3HD LYS 12 7.584 -25.352 4.759
119 HE2 LYS 12 2HE LYS 12 8.400 -25.643 1.870
120 HE3 LYS 12 3HE LYS 12 9.396 -26.133 3.240
121 HZ1 LYS 12 3HZ LYS 12 7.410 -27.538 3.912
122 HZ2 LYS 12 1HZ LYS 12 8.295 -28.060 2.568
123 HZ3 LYS 12 2HZ LYS 12 6.816 -27.270 2.352
124 H PHE 13 H PHE 13 5.429 -20.958 4.883
125 HA PHE 13 HA PHE 13 2.832 -20.662 6.148
126 HB2 PHE 13 2HB PHE 13 5.308 -20.699 7.200
127 HB3 PHE 13 3HB PHE 13 5.113 -18.962 6.990
128 HD1 PHE 13 HD1 PHE 13 3.556 -21.953 8.526
129 HD2 PHE 13 HD2 PHE 13 3.854 -17.707 8.504
130 HE1 PHE 13 HE1 PHE 13 2.251 -21.854 10.609
131 HE2 PHE 13 HE2 PHE 13 2.551 -17.601 10.588
132 HZ PHE 13 HZ PHE 13 1.748 -19.676 11.644
133 H LYS 14 H LYS 14 1.709 -18.708 6.347
134 HA LYS 14 HA LYS 14 2.290 -16.783 4.206
135 HB2 LYS 14 2HB LYS 14 -0.246 -17.520 5.655
136 HB3 LYS 14 3HB LYS 14 -0.124 -16.060 4.682
137 HG2 LYS 14 2HG LYS 14 0.478 -18.797 3.600
138 HG3 LYS 14 3HG LYS 14 -1.128 -18.068 3.548
139 HD2 LYS 14 2HD LYS 14 1.183 -16.502 2.509
140 HD3 LYS 14 3HD LYS 14 0.553 -17.828 1.529
141 HE2 LYS 14 2HE LYS 14 -1.076 -15.534 2.617
142 HE3 LYS 14 3HE LYS 14 -0.474 -15.660 0.965
143 HZ1 LYS 14 3HZ LYS 14 -2.778 -16.856 2.142
144 HZ2 LYS 14 1HZ LYS 14 -1.790 -18.017 1.409
145 HZ3 LYS 14 2HZ LYS 14 -2.363 -16.704 0.510
146 H LEU 15 H LEU 15 2.604 -14.649 4.615
147 HA LEU 15 HA LEU 15 3.259 -12.816 5.799
148 HB2 LEU 15 2HB LEU 15 0.801 -13.762 7.205
149 HB3 LEU 15 3HB LEU 15 1.710 -12.403 7.864
150 HG LEU 15 HG LEU 15 -0.194 -11.676 6.502
151 HD11 LEU 15 1HD1 LEU 15 1.180 -9.928 6.316
152 HD12 LEU 15 2HD1 LEU 15 1.511 -10.524 4.690
153 HD13 LEU 15 3HD1 LEU 15 2.587 -10.950 6.021
154 HD21 LEU 15 3HD2 LEU 15 -0.524 -12.246 4.304
155 HD22 LEU 15 1HD2 LEU 15 0.161 -13.746 4.929
156 HD23 LEU 15 2HD2 LEU 15 1.178 -12.620 4.030
157 H TYR 16 H TYR 16 4.641 -15.249 6.413
158 HA TYR 16 HA TYR 16 4.978 -15.752 9.130
159 HB2 TYR 16 2HB TYR 16 7.353 -16.450 8.388
160 HB3 TYR 16 3HB TYR 16 5.979 -17.304 7.692
161 HD1 TYR 16 HD2 TYR 16 7.842 -14.147 6.923
162 HD2 TYR 16 HD1 TYR 16 6.249 -17.814 5.468
163 HE1 TYR 16 HE2 TYR 16 8.649 -13.595 4.666
164 HE2 TYR 16 HE1 TYR 16 7.053 -17.273 3.207
165 HH TYR 16 HH TYR 16 7.659 -15.277 1.897
166 H HIS 17 H HIS 17 7.402 -15.369 10.045
167 HA HIS 17 HA HIS 17 7.546 -12.487 10.414
168 HB2 HIS 17 2HB HIS 17 7.575 -13.958 12.389
169 HB3 HIS 17 3HB HIS 17 9.053 -14.715 11.802
170 HD1 HIS 17 HD1 HIS 17 8.255 -11.007 12.013
171 HD2 HIS 17 HD2 HIS 17 10.906 -13.804 13.566
172 HE1 HIS 17 HE1 HIS 17 9.909 -9.685 13.369
173 H GLU 18 H GLU 18 8.314 -12.358 8.093
174 HA GLU 18 HA GLU 18 11.204 -12.119 8.122
175 HB2 GLU 18 2HB GLU 18 10.064 -14.397 6.999
176 HB3 GLU 18 3HB GLU 18 10.382 -13.353 5.621
177 HG2 GLU 18 2HG GLU 18 12.268 -14.777 5.963
178 HG3 GLU 18 3HG GLU 18 12.722 -13.127 6.384
179 H GLY 19 H GLY 19 10.983 -9.916 7.904
180 HA2 GLY 19 2HA GLY 19 10.823 -7.937 6.748
181 HA3 GLY 19 3HA GLY 19 10.692 -8.897 5.281
182 H LYS 20 H LYS 20 9.114 -6.754 7.285
183 HA LYS 20 HA LYS 20 6.427 -7.666 6.961
184 HB2 LYS 20 2HB LYS 20 7.762 -5.237 8.022
185 HB3 LYS 20 3HB LYS 20 6.098 -5.051 7.485
186 HG2 LYS 20 2HG LYS 20 5.774 -5.574 9.681
187 HG3 LYS 20 3HG LYS 20 5.713 -7.184 8.959
188 HD2 LYS 20 2HD LYS 20 7.782 -7.776 9.779
189 HD3 LYS 20 3HD LYS 20 8.338 -6.104 9.878
190 HE2 LYS 20 2HE LYS 20 7.966 -7.070 12.098
191 HE3 LYS 20 3HE LYS 20 6.882 -5.714 11.787
192 HZ1 LYS 20 3HZ LYS 20 6.050 -8.513 11.317
193 HZ2 LYS 20 1HZ LYS 20 5.075 -7.141 11.489
194 HZ3 LYS 20 2HZ LYS 20 5.883 -7.778 12.831
195 H PHE 21 H PHE 21 6.080 -8.042 4.774
196 HA PHE 21 HA PHE 21 5.071 -5.915 3.262
197 HB2 PHE 21 2HB PHE 21 7.766 -5.793 3.147
198 HB3 PHE 21 3HB PHE 21 7.458 -6.890 1.804
199 HD1 PHE 21 HD2 PHE 21 5.306 -6.028 0.346
200 HD2 PHE 21 HD1 PHE 21 8.018 -3.604 2.556
201 HE1 PHE 21 HE2 PHE 21 4.761 -4.110 -1.095
202 HE2 PHE 21 HE1 PHE 21 7.477 -1.681 1.119
203 HZ PHE 21 HZ PHE 21 5.847 -1.933 -0.711
204 H TRP 22 H TRP 22 3.404 -7.046 2.502
205 HA TRP 22 HA TRP 22 3.978 -9.424 0.880
206 HB2 TRP 22 2HB TRP 22 2.138 -9.225 3.227
207 HB3 TRP 22 3HB TRP 22 1.673 -10.256 1.876
208 HD1 TRP 22 HD1 TRP 22 4.566 -9.861 4.415
209 HE1 TRP 22 HE1 TRP 22 5.634 -12.175 4.772
210 HE3 TRP 22 HE3 TRP 22 1.902 -12.526 0.960
211 HZ2 TRP 22 HZ2 TRP 22 5.381 -14.785 3.727
212 HZ3 TRP 22 HZ3 TRP 22 2.377 -14.926 0.700
213 HH2 TRP 22 HH2 TRP 22 4.081 -16.031 2.056
214 H CYS 23 H CYS 23 3.722 -7.866 -0.855
215 HA CYS 23 HA CYS 23 1.192 -7.960 -2.049
216 HB2 CYS 23 2HB CYS 23 1.044 -6.115 -0.127
217 HB3 CYS 23 3HB CYS 23 1.760 -5.112 -1.386
218 HA PRO 24 HA PRO 24 4.527 -7.227 -5.028
219 HB2 PRO 24 2HB PRO 24 3.288 -8.546 -7.052
220 HB3 PRO 24 3HB PRO 24 4.205 -9.372 -5.787
221 HG2 PRO 24 2HG PRO 24 1.247 -8.979 -6.034
222 HG3 PRO 24 3HG PRO 24 2.147 -10.430 -5.553
223 HD2 PRO 24 2HD PRO 24 0.959 -8.790 -3.756
224 HD3 PRO 24 3HD PRO 24 2.453 -9.678 -3.396
Start of MODEL 3
1 H1 THR 1 H THR 1 0.173 1.071 -3.025
2 HA THR 1 HA THR 1 2.747 0.698 -2.249
3 HB THR 1 HB THR 1 0.645 -0.439 -0.453
4 HG1 THR 1 HG1 THR 1 -0.358 1.459 -0.234
5 HG21 THR 1 3HG2 THR 1 3.057 1.333 -0.142
6 HG22 THR 1 1HG2 THR 1 2.785 -0.274 0.531
7 HG23 THR 1 2HG2 THR 1 1.880 1.107 1.151
8 H CYS 2 H CYS 2 2.425 -1.244 -4.202
9 HA CYS 2 HA CYS 2 3.076 -3.669 -2.675
10 HB2 CYS 2 2HB CYS 2 1.405 -3.616 -5.198
11 HB3 CYS 2 3HB CYS 2 1.900 -5.055 -4.313
12 H HIS 3 H HIS 3 5.187 -3.918 -3.029
13 HA HIS 3 HA HIS 3 6.118 -4.193 -5.769
14 HB2 HIS 3 2HB HIS 3 6.465 -1.780 -5.060
15 HB3 HIS 3 3HB HIS 3 7.610 -2.385 -3.867
16 HD1 HIS 3 HD1 HIS 3 9.709 -1.410 -4.877
17 HD2 HIS 3 HD2 HIS 3 7.526 -3.697 -7.572
18 HE1 HIS 3 HE1 HIS 3 11.190 -1.669 -6.893
19 H ILE 4 H ILE 4 6.956 -6.169 -5.743
20 HA ILE 4 HA ILE 4 8.885 -6.840 -3.633
21 HB ILE 4 HB ILE 4 6.844 -8.811 -4.659
22 HG12 ILE 4 2HG1 ILE 4 5.773 -7.023 -3.322
23 HG13 ILE 4 3HG1 ILE 4 5.711 -8.587 -2.517
24 HG21 ILE 4 1HG2 ILE 4 8.391 -10.227 -3.866
25 HG22 ILE 4 2HG2 ILE 4 9.215 -8.967 -2.948
26 HG23 ILE 4 3HG2 ILE 4 7.782 -9.749 -2.282
27 HD11 ILE 4 3HD1 ILE 4 6.709 -6.141 -1.533
28 HD12 ILE 4 1HD1 ILE 4 6.670 -7.712 -0.733
29 HD13 ILE 4 2HD1 ILE 4 8.074 -7.246 -1.693
30 H ARG 5 H ARG 5 10.516 -8.303 -4.240
31 HA ARG 5 HA ARG 5 11.552 -8.047 -6.785
32 HB2 ARG 5 2HB ARG 5 12.960 -10.049 -6.206
33 HB3 ARG 5 3HB ARG 5 12.977 -8.760 -5.009
34 HG2 ARG 5 2HG ARG 5 11.234 -10.051 -3.744
35 HG3 ARG 5 3HG ARG 5 11.516 -11.382 -4.867
36 HD2 ARG 5 2HD ARG 5 12.797 -11.591 -2.759
37 HD3 ARG 5 3HD ARG 5 13.819 -11.531 -4.194
38 HE ARG 5 HE ARG 5 13.411 -8.971 -2.949
39 HH11 ARG 5 1HH1 ARG 5 15.337 -11.871 -2.979
40 HH12 ARG 5 2HH1 ARG 5 16.722 -11.115 -2.263
41 HH21 ARG 5 1HH2 ARG 5 15.227 -7.964 -2.006
42 HH22 ARG 5 2HH2 ARG 5 16.658 -8.893 -1.709
43 H ARG 6 H ARG 6 9.393 -10.520 -5.512
44 HA ARG 6 HA ARG 6 8.499 -11.200 -8.146
45 HB2 ARG 6 2HB ARG 6 10.467 -12.913 -6.750
46 HB3 ARG 6 3HB ARG 6 9.090 -13.745 -7.460
47 HG2 ARG 6 2HG ARG 6 9.757 -12.215 -9.538
48 HG3 ARG 6 3HG ARG 6 11.338 -12.339 -8.763
49 HD2 ARG 6 2HD ARG 6 10.917 -14.851 -8.684
50 HD3 ARG 6 3HD ARG 6 9.583 -14.549 -9.797
51 HE ARG 6 HE ARG 6 12.397 -14.490 -10.400
52 HH11 ARG 6 1HH1 ARG 6 9.227 -13.413 -11.353
53 HH12 ARG 6 2HH1 ARG 6 9.666 -13.165 -13.010
54 HH21 ARG 6 1HH2 ARG 6 12.988 -14.168 -12.580
55 HH22 ARG 6 2HH2 ARG 6 11.806 -13.596 -13.707
56 H LYS 7 H LYS 7 6.399 -11.596 -7.978
57 HA LYS 7 HA LYS 7 4.970 -11.651 -5.618
58 HB2 LYS 7 2HB LYS 7 3.114 -12.653 -6.995
59 HB3 LYS 7 3HB LYS 7 3.823 -11.185 -7.654
60 HG2 LYS 7 2HG LYS 7 3.611 -12.554 -9.507
61 HG3 LYS 7 3HG LYS 7 5.299 -12.774 -9.039
62 HD2 LYS 7 2HD LYS 7 4.977 -14.925 -8.385
63 HD3 LYS 7 3HD LYS 7 3.329 -14.623 -7.829
64 HE2 LYS 7 2HE LYS 7 4.187 -14.807 -10.716
65 HE3 LYS 7 3HE LYS 7 3.421 -16.105 -9.801
66 HZ1 LYS 7 3HZ LYS 7 1.428 -15.212 -10.122
67 HZ2 LYS 7 1HZ LYS 7 2.143 -14.174 -11.251
68 HZ3 LYS 7 2HZ LYS 7 1.940 -13.670 -9.649
69 HA PRO 8 HA PRO 8 5.324 -15.675 -3.899
70 HB2 PRO 8 2HB PRO 8 2.844 -16.033 -2.853
71 HB3 PRO 8 3HB PRO 8 4.029 -14.920 -2.158
72 HG2 PRO 8 2HG PRO 8 1.712 -14.335 -3.961
73 HG3 PRO 8 3HG PRO 8 2.262 -13.454 -2.525
74 HD2 PRO 8 2HD PRO 8 2.827 -12.633 -5.042
75 HD3 PRO 8 3HD PRO 8 3.931 -12.361 -3.679
76 H LYS 9 H LYS 9 5.218 -17.705 -4.649
77 HA LYS 9 HA LYS 9 3.018 -18.407 -6.479
78 HB2 LYS 9 2HB LYS 9 4.644 -19.818 -7.722
79 HB3 LYS 9 3HB LYS 9 5.010 -18.099 -7.804
80 HG2 LYS 9 2HG LYS 9 7.084 -18.694 -7.257
81 HG3 LYS 9 3HG LYS 9 6.453 -18.900 -5.621
82 HD2 LYS 9 2HD LYS 9 7.238 -20.995 -5.803
83 HD3 LYS 9 3HD LYS 9 5.794 -21.282 -6.776
84 HE2 LYS 9 2HE LYS 9 8.346 -20.280 -7.999
85 HE3 LYS 9 3HE LYS 9 8.061 -22.000 -7.739
86 HZ1 LYS 9 3HZ LYS 9 5.927 -21.647 -9.018
87 HZ2 LYS 9 1HZ LYS 9 7.359 -21.562 -9.915
88 HZ3 LYS 9 2HZ LYS 9 6.550 -20.143 -9.477
89 H PHE 10 H PHE 10 5.367 -19.534 -4.106
90 HA PHE 10 HA PHE 10 3.509 -21.519 -3.157
91 HB2 PHE 10 2HB PHE 10 5.901 -22.263 -4.766
92 HB3 PHE 10 3HB PHE 10 5.529 -23.252 -3.358
93 HD1 PHE 10 HD1 PHE 10 2.773 -23.621 -3.242
94 HD2 PHE 10 HD2 PHE 10 5.189 -23.203 -6.722
95 HE1 PHE 10 HE1 PHE 10 1.095 -24.855 -4.552
96 HE2 PHE 10 HE2 PHE 10 3.514 -24.435 -8.037
97 HZ PHE 10 HZ PHE 10 1.463 -25.262 -6.952
98 H ARG 11 H ARG 11 3.577 -21.084 -1.055
99 HA ARG 11 HA ARG 11 6.171 -21.117 0.299
100 HB2 ARG 11 2HB ARG 11 5.627 -19.148 1.624
101 HB3 ARG 11 3HB ARG 11 5.632 -18.748 -0.089
102 HG2 ARG 11 2HG ARG 11 3.072 -19.472 1.266
103 HG3 ARG 11 3HG ARG 11 3.745 -17.850 1.442
104 HD2 ARG 11 2HD ARG 11 3.910 -17.864 -1.121
105 HD3 ARG 11 3HD ARG 11 2.815 -19.244 -1.047
106 HE ARG 11 HE ARG 11 1.910 -16.934 0.418
107 HH11 ARG 11 1HH1 ARG 11 1.948 -18.564 -2.658
108 HH12 ARG 11 2HH1 ARG 11 0.507 -17.791 -3.232
109 HH21 ARG 11 1HH2 ARG 11 0.013 -15.910 -0.326
110 HH22 ARG 11 2HH2 ARG 11 -0.592 -16.282 -1.905
111 H LYS 12 H LYS 12 6.117 -21.882 2.401
112 HA LYS 12 HA LYS 12 4.013 -23.652 3.052
113 HB2 LYS 12 2HB LYS 12 6.431 -22.655 4.530
114 HB3 LYS 12 3HB LYS 12 5.251 -23.681 5.333
115 HG2 LYS 12 2HG LYS 12 5.613 -25.425 3.679
116 HG3 LYS 12 3HG LYS 12 6.763 -24.392 2.827
117 HD2 LYS 12 2HD LYS 12 7.089 -25.251 5.698
118 HD3 LYS 12 3HD LYS 12 7.800 -26.110 4.330
119 HE2 LYS 12 2HE LYS 12 8.911 -23.948 3.688
120 HE3 LYS 12 3HE LYS 12 8.355 -23.288 5.226
121 HZ1 LYS 12 3HZ LYS 12 9.713 -25.807 5.488
122 HZ2 LYS 12 1HZ LYS 12 9.945 -24.360 6.333
123 HZ3 LYS 12 2HZ LYS 12 10.692 -24.592 4.834
124 H PHE 13 H PHE 13 5.174 -21.048 5.177
125 HA PHE 13 HA PHE 13 2.496 -20.752 6.257
126 HB2 PHE 13 2HB PHE 13 5.229 -19.891 7.064
127 HB3 PHE 13 3HB PHE 13 3.874 -18.917 7.623
128 HD1 PHE 13 HD1 PHE 13 4.679 -22.551 7.305
129 HD2 PHE 13 HD2 PHE 13 3.129 -19.412 9.726
130 HE1 PHE 13 HE1 PHE 13 4.286 -24.156 9.128
131 HE2 PHE 13 HE2 PHE 13 2.735 -21.012 11.553
132 HZ PHE 13 HZ PHE 13 3.314 -23.387 11.256
133 H LYS 14 H LYS 14 1.994 -18.303 6.845
134 HA LYS 14 HA LYS 14 2.426 -16.661 4.443
135 HB2 LYS 14 2HB LYS 14 -0.170 -17.323 5.809
136 HB3 LYS 14 3HB LYS 14 0.008 -15.853 4.861
137 HG2 LYS 14 2HG LYS 14 0.765 -18.466 3.646
138 HG3 LYS 14 3HG LYS 14 -0.940 -18.029 3.779
139 HD2 LYS 14 2HD LYS 14 1.041 -16.109 2.612
140 HD3 LYS 14 3HD LYS 14 0.357 -17.403 1.626
141 HE2 LYS 14 2HE LYS 14 -1.189 -15.792 1.202
142 HE3 LYS 14 3HE LYS 14 -1.903 -16.467 2.666
143 HZ1 LYS 14 3HZ LYS 14 -1.395 -14.639 3.866
144 HZ2 LYS 14 1HZ LYS 14 -1.447 -13.886 2.353
145 HZ3 LYS 14 2HZ LYS 14 0.040 -14.327 3.027
146 H LEU 15 H LEU 15 2.694 -14.492 4.780
147 HA LEU 15 HA LEU 15 3.348 -12.629 5.916
148 HB2 LEU 15 2HB LEU 15 0.905 -13.548 7.371
149 HB3 LEU 15 3HB LEU 15 1.808 -12.156 7.966
150 HG LEU 15 HG LEU 15 -0.096 -11.467 6.613
151 HD11 LEU 15 1HD1 LEU 15 2.651 -10.767 6.099
152 HD12 LEU 15 2HD1 LEU 15 1.223 -9.736 6.180
153 HD13 LEU 15 3HD1 LEU 15 1.655 -10.526 4.664
154 HD21 LEU 15 3HD2 LEU 15 -0.351 -12.031 4.330
155 HD22 LEU 15 1HD2 LEU 15 -0.065 -13.548 5.183
156 HD23 LEU 15 2HD2 LEU 15 1.239 -12.793 4.265
157 H TYR 16 H TYR 16 4.722 -15.061 6.592
158 HA TYR 16 HA TYR 16 5.077 -15.483 9.319
159 HB2 TYR 16 2HB TYR 16 7.445 -16.209 8.583
160 HB3 TYR 16 3HB TYR 16 6.065 -17.080 7.924
161 HD1 TYR 16 HD2 TYR 16 7.915 -13.946 7.041
162 HD2 TYR 16 HD1 TYR 16 6.331 -17.667 5.718
163 HE1 TYR 16 HE2 TYR 16 8.707 -13.466 4.762
164 HE2 TYR 16 HE1 TYR 16 7.119 -17.198 3.436
165 HH TYR 16 HH TYR 16 8.760 -15.841 2.297
166 H HIS 17 H HIS 17 7.491 -15.079 10.226
167 HA HIS 17 HA HIS 17 7.649 -12.191 10.511
168 HB2 HIS 17 2HB HIS 17 7.699 -13.614 12.521
169 HB3 HIS 17 3HB HIS 17 9.172 -14.383 11.937
170 HD1 HIS 17 HD1 HIS 17 7.957 -10.934 12.966
171 HD2 HIS 17 HD2 HIS 17 11.456 -13.164 12.757
172 HE1 HIS 17 HE1 HIS 17 9.727 -9.511 14.045
173 H GLU 18 H GLU 18 8.393 -12.121 8.178
174 HA GLU 18 HA GLU 18 11.282 -11.877 8.172
175 HB2 GLU 18 2HB GLU 18 10.137 -14.187 7.124
176 HB3 GLU 18 3HB GLU 18 10.436 -13.180 5.714
177 HG2 GLU 18 2HG GLU 18 12.758 -13.031 6.216
178 HG3 GLU 18 3HG GLU 18 12.524 -13.800 7.785
179 H GLY 19 H GLY 19 10.993 -9.671 7.931
180 HA2 GLY 19 2HA GLY 19 10.816 -7.721 6.728
181 HA3 GLY 19 3HA GLY 19 10.719 -8.714 5.281
182 H LYS 20 H LYS 20 9.101 -6.505 7.129
183 HA LYS 20 HA LYS 20 6.425 -7.489 6.826
184 HB2 LYS 20 2HB LYS 20 7.698 -4.993 7.826
185 HB3 LYS 20 3HB LYS 20 6.023 -4.887 7.300
186 HG2 LYS 20 2HG LYS 20 5.549 -6.832 8.840
187 HG3 LYS 20 3HG LYS 20 7.171 -6.588 9.493
188 HD2 LYS 20 2HD LYS 20 5.201 -4.330 9.326
189 HD3 LYS 20 3HD LYS 20 5.190 -5.456 10.686
190 HE2 LYS 20 2HE LYS 20 7.738 -4.910 10.790
191 HE3 LYS 20 3HE LYS 20 7.277 -3.476 9.874
192 HZ1 LYS 20 3HZ LYS 20 5.470 -3.702 11.964
193 HZ2 LYS 20 1HZ LYS 20 6.693 -2.547 11.781
194 HZ3 LYS 20 2HZ LYS 20 6.998 -3.972 12.638
195 H PHE 21 H PHE 21 6.120 -7.920 4.643
196 HA PHE 21 HA PHE 21 5.088 -5.855 3.069
197 HB2 PHE 21 2HB PHE 21 7.796 -5.686 3.002
198 HB3 PHE 21 3HB PHE 21 7.509 -6.771 1.646
199 HD1 PHE 21 HD2 PHE 21 5.064 -5.793 0.473
200 HD2 PHE 21 HD1 PHE 21 8.313 -3.615 2.150
201 HE1 PHE 21 HE2 PHE 21 4.501 -3.865 -0.948
202 HE2 PHE 21 HE1 PHE 21 7.755 -1.683 0.732
203 HZ PHE 21 HZ PHE 21 5.847 -1.807 -0.821
204 H TRP 22 H TRP 22 3.471 -7.054 2.303
205 HA TRP 22 HA TRP 22 4.153 -9.466 0.770
206 HB2 TRP 22 2HB TRP 22 2.200 -9.200 3.015
207 HB3 TRP 22 3HB TRP 22 1.806 -10.281 1.681
208 HD1 TRP 22 HD1 TRP 22 4.604 -9.768 4.308
209 HE1 TRP 22 HE1 TRP 22 5.654 -12.064 4.809
210 HE3 TRP 22 HE3 TRP 22 2.047 -12.591 0.899
211 HZ2 TRP 22 HZ2 TRP 22 5.429 -14.720 3.881
212 HZ3 TRP 22 HZ3 TRP 22 2.523 -15.002 0.769
213 HH2 TRP 22 HH2 TRP 22 4.180 -16.042 2.229
214 H CYS 23 H CYS 23 3.973 -7.970 -1.031
215 HA CYS 23 HA CYS 23 1.501 -8.135 -2.341
216 HB2 CYS 23 2HB CYS 23 1.202 -6.242 -0.522
217 HB3 CYS 23 3HB CYS 23 2.054 -5.266 -1.714
218 HA PRO 24 HA PRO 24 4.975 -7.510 -5.186
219 HB2 PRO 24 2HB PRO 24 3.842 -8.924 -7.208
220 HB3 PRO 24 3HB PRO 24 4.701 -9.688 -5.865
221 HG2 PRO 24 2HG PRO 24 1.757 -9.328 -6.271
222 HG3 PRO 24 3HG PRO 24 2.640 -10.750 -5.684
223 HD2 PRO 24 2HD PRO 24 1.357 -9.043 -4.019
224 HD3 PRO 24 3HD PRO 24 2.838 -9.903 -3.550
Start of MODEL 4
1 H1 THR 1 H THR 1 3.562 0.005 0.104
2 HA THR 1 HA THR 1 1.441 0.333 -1.790
3 HB THR 1 HB THR 1 2.811 1.381 -3.572
4 HG1 THR 1 HG1 THR 1 4.796 2.221 -3.098
5 HG21 THR 1 3HG2 THR 1 1.729 2.675 -1.232
6 HG22 THR 1 1HG2 THR 1 1.673 3.185 -2.919
7 HG23 THR 1 2HG2 THR 1 3.053 3.620 -1.912
8 H CYS 2 H CYS 2 1.374 -1.384 -3.113
9 HA CYS 2 HA CYS 2 3.285 -3.477 -2.806
10 HB2 CYS 2 2HB CYS 2 1.138 -3.299 -4.921
11 HB3 CYS 2 3HB CYS 2 1.885 -4.753 -4.268
12 H HIS 3 H HIS 3 5.280 -2.772 -3.525
13 HA HIS 3 HA HIS 3 5.538 -2.581 -6.441
14 HB2 HIS 3 2HB HIS 3 5.668 -0.317 -5.094
15 HB3 HIS 3 3HB HIS 3 7.300 -0.871 -4.733
16 HD1 HIS 3 HD1 HIS 3 5.802 1.337 -6.915
17 HD2 HIS 3 HD2 HIS 3 8.427 -1.827 -7.516
18 HE1 HIS 3 HE1 HIS 3 6.895 1.782 -9.136
19 H ILE 4 H ILE 4 6.314 -4.690 -6.511
20 HA ILE 4 HA ILE 4 9.087 -5.022 -6.212
21 HB ILE 4 HB ILE 4 8.593 -5.145 -3.819
22 HG12 ILE 4 2HG1 ILE 4 9.649 -7.329 -3.366
23 HG13 ILE 4 3HG1 ILE 4 9.310 -7.830 -5.019
24 HG21 ILE 4 1HG2 ILE 4 6.978 -6.421 -2.876
25 HG22 ILE 4 2HG2 ILE 4 6.243 -6.238 -4.468
26 HG23 ILE 4 3HG2 ILE 4 7.138 -7.706 -4.074
27 HD11 ILE 4 3HD1 ILE 4 10.836 -5.327 -4.683
28 HD12 ILE 4 1HD1 ILE 4 11.653 -6.829 -4.250
29 HD13 ILE 4 2HD1 ILE 4 11.005 -6.614 -5.876
30 H ARG 5 H ARG 5 9.699 -6.544 -7.611
31 HA ARG 5 HA ARG 5 7.830 -7.987 -9.141
32 HB2 ARG 5 2HB ARG 5 9.818 -9.149 -10.076
33 HB3 ARG 5 3HB ARG 5 9.974 -7.397 -10.073
34 HG2 ARG 5 2HG ARG 5 11.169 -7.840 -7.771
35 HG3 ARG 5 3HG ARG 5 11.429 -9.437 -8.477
36 HD2 ARG 5 2HD ARG 5 12.203 -8.012 -10.556
37 HD3 ARG 5 3HD ARG 5 12.482 -6.783 -9.323
38 HE ARG 5 HE ARG 5 13.631 -9.306 -8.629
39 HH11 ARG 5 1HH1 ARG 5 14.106 -6.412 -10.505
40 HH12 ARG 5 2HH1 ARG 5 15.834 -6.539 -10.505
41 HH21 ARG 5 1HH2 ARG 5 15.905 -9.485 -8.622
42 HH22 ARG 5 2HH2 ARG 5 16.856 -8.288 -9.435
43 H ARG 6 H ARG 6 9.949 -8.962 -6.476
44 HA ARG 6 HA ARG 6 9.452 -11.705 -6.527
45 HB2 ARG 6 2HB ARG 6 10.349 -9.765 -4.453
46 HB3 ARG 6 3HB ARG 6 9.836 -11.358 -3.913
47 HG2 ARG 6 2HG ARG 6 11.886 -10.972 -6.072
48 HG3 ARG 6 3HG ARG 6 12.303 -11.049 -4.359
49 HD2 ARG 6 2HD ARG 6 10.621 -13.193 -5.586
50 HD3 ARG 6 3HD ARG 6 12.369 -13.208 -5.816
51 HE ARG 6 HE ARG 6 10.942 -13.864 -3.426
52 HH11 ARG 6 1HH1 ARG 6 13.939 -12.609 -4.674
53 HH12 ARG 6 2HH1 ARG 6 14.866 -13.085 -3.290
54 HH21 ARG 6 1HH2 ARG 6 12.151 -14.496 -1.598
55 HH22 ARG 6 2HH2 ARG 6 13.848 -14.159 -1.541
56 H LYS 7 H LYS 7 7.417 -12.452 -6.705
57 HA LYS 7 HA LYS 7 5.363 -11.403 -4.888
58 HB2 LYS 7 2HB LYS 7 3.744 -12.498 -6.372
59 HB3 LYS 7 3HB LYS 7 4.779 -11.387 -7.260
60 HG2 LYS 7 2HG LYS 7 4.780 -13.174 -8.675
61 HG3 LYS 7 3HG LYS 7 6.197 -13.552 -7.692
62 HD2 LYS 7 2HD LYS 7 5.172 -15.297 -6.645
63 HD3 LYS 7 3HD LYS 7 3.572 -14.557 -6.742
64 HE2 LYS 7 2HE LYS 7 4.970 -15.521 -9.210
65 HE3 LYS 7 3HE LYS 7 4.085 -16.646 -8.181
66 HZ1 LYS 7 3HZ LYS 7 2.630 -14.244 -8.844
67 HZ2 LYS 7 1HZ LYS 7 2.128 -15.860 -8.879
68 HZ3 LYS 7 2HZ LYS 7 2.996 -15.216 -10.180
69 HA PRO 8 HA PRO 8 5.311 -15.027 -2.410
70 HB2 PRO 8 2HB PRO 8 2.680 -15.178 -1.759
71 HB3 PRO 8 3HB PRO 8 3.767 -13.956 -1.088
72 HG2 PRO 8 2HG PRO 8 1.809 -13.718 -3.340
73 HG3 PRO 8 3HG PRO 8 2.138 -12.582 -2.020
74 HD2 PRO 8 2HD PRO 8 3.147 -12.252 -4.511
75 HD3 PRO 8 3HD PRO 8 4.014 -11.729 -3.052
76 H LYS 9 H LYS 9 5.342 -17.138 -2.858
77 HA LYS 9 HA LYS 9 3.228 -18.568 -4.049
78 HB2 LYS 9 2HB LYS 9 4.227 -17.251 -6.025
79 HB3 LYS 9 3HB LYS 9 5.600 -18.341 -5.888
80 HG2 LYS 9 2HG LYS 9 2.940 -19.609 -6.010
81 HG3 LYS 9 3HG LYS 9 3.495 -18.800 -7.477
82 HD2 LYS 9 2HD LYS 9 5.728 -20.157 -6.787
83 HD3 LYS 9 3HD LYS 9 4.486 -21.247 -6.165
84 HE2 LYS 9 2HE LYS 9 4.908 -21.943 -8.380
85 HE3 LYS 9 3HE LYS 9 3.380 -21.064 -8.433
86 HZ1 LYS 9 3HZ LYS 9 4.295 -19.354 -9.592
87 HZ2 LYS 9 1HZ LYS 9 5.290 -20.602 -10.154
88 HZ3 LYS 9 2HZ LYS 9 5.841 -19.564 -8.937
89 H PHE 10 H PHE 10 3.614 -20.818 -4.118
90 HA PHE 10 HA PHE 10 4.452 -22.746 -3.238
91 HB2 PHE 10 2HB PHE 10 6.095 -22.085 -5.147
92 HB3 PHE 10 3HB PHE 10 7.210 -21.720 -3.834
93 HD1 PHE 10 HD1 PHE 10 4.925 -24.453 -4.942
94 HD2 PHE 10 HD2 PHE 10 8.627 -23.382 -3.135
95 HE1 PHE 10 HE1 PHE 10 5.548 -26.830 -4.820
96 HE2 PHE 10 HE2 PHE 10 9.257 -25.757 -3.011
97 HZ PHE 10 HZ PHE 10 7.718 -27.485 -3.855
98 H ARG 11 H ARG 11 3.920 -20.868 -1.297
99 HA ARG 11 HA ARG 11 6.149 -21.231 0.597
100 HB2 ARG 11 2HB ARG 11 5.389 -19.225 1.751
101 HB3 ARG 11 3HB ARG 11 5.721 -18.869 0.061
102 HG2 ARG 11 2HG ARG 11 2.940 -19.598 0.727
103 HG3 ARG 11 3HG ARG 11 3.521 -18.047 1.334
104 HD2 ARG 11 2HD ARG 11 4.157 -17.381 -0.914
105 HD3 ARG 11 3HD ARG 11 3.661 -18.954 -1.539
106 HE ARG 11 HE ARG 11 1.953 -16.738 -0.847
107 HH11 ARG 11 1HH1 ARG 11 2.154 -20.174 -1.368
108 HH12 ARG 11 2HH1 ARG 11 0.468 -20.351 -1.723
109 HH21 ARG 11 1HH2 ARG 11 -0.269 -16.958 -1.313
110 HH22 ARG 11 2HH2 ARG 11 -0.910 -18.521 -1.693
111 H LYS 12 H LYS 12 5.674 -21.875 2.705
112 HA LYS 12 HA LYS 12 3.254 -23.442 2.957
113 HB2 LYS 12 2HB LYS 12 5.795 -23.178 4.511
114 HB3 LYS 12 3HB LYS 12 4.386 -23.877 5.298
115 HG2 LYS 12 2HG LYS 12 5.303 -24.906 2.645
116 HG3 LYS 12 3HG LYS 12 6.087 -25.430 4.137
117 HD2 LYS 12 2HD LYS 12 3.113 -25.514 3.980
118 HD3 LYS 12 3HD LYS 12 4.039 -26.751 3.127
119 HE2 LYS 12 2HE LYS 12 3.808 -27.779 5.150
120 HE3 LYS 12 3HE LYS 12 5.304 -26.893 5.443
121 HZ1 LYS 12 3HZ LYS 12 2.855 -25.461 6.052
122 HZ2 LYS 12 1HZ LYS 12 4.312 -25.531 6.909
123 HZ3 LYS 12 2HZ LYS 12 3.187 -26.786 7.050
124 H PHE 13 H PHE 13 4.851 -21.233 5.255
125 HA PHE 13 HA PHE 13 2.287 -20.595 6.442
126 HB2 PHE 13 2HB PHE 13 5.145 -19.990 7.120
127 HB3 PHE 13 3HB PHE 13 3.851 -19.061 7.871
128 HD1 PHE 13 HD1 PHE 13 2.307 -20.105 9.423
129 HD2 PHE 13 HD2 PHE 13 5.490 -22.311 7.655
130 HE1 PHE 13 HE1 PHE 13 2.002 -21.883 11.098
131 HE2 PHE 13 HE2 PHE 13 5.188 -24.091 9.326
132 HZ PHE 13 HZ PHE 13 3.442 -23.879 11.049
133 H LYS 14 H LYS 14 1.209 -18.689 6.304
134 HA LYS 14 HA LYS 14 2.109 -16.835 4.231
135 HB2 LYS 14 2HB LYS 14 -0.528 -17.457 5.501
136 HB3 LYS 14 3HB LYS 14 -0.294 -15.889 4.739
137 HG2 LYS 14 2HG LYS 14 0.420 -18.345 3.217
138 HG3 LYS 14 3HG LYS 14 -1.281 -17.908 3.399
139 HD2 LYS 14 2HD LYS 14 -0.231 -15.520 2.691
140 HD3 LYS 14 3HD LYS 14 0.857 -16.615 1.833
141 HE2 LYS 14 2HE LYS 14 -0.931 -16.092 0.353
142 HE3 LYS 14 3HE LYS 14 -1.175 -17.750 0.901
143 HZ1 LYS 14 3HZ LYS 14 -3.158 -17.188 1.670
144 HZ2 LYS 14 1HZ LYS 14 -2.953 -15.617 1.075
145 HZ3 LYS 14 2HZ LYS 14 -2.489 -15.989 2.658
146 H LEU 15 H LEU 15 2.542 -14.704 4.584
147 HA LEU 15 HA LEU 15 3.294 -12.889 5.738
148 HB2 LEU 15 2HB LEU 15 0.743 -13.625 7.105
149 HB3 LEU 15 3HB LEU 15 1.728 -12.314 7.750
150 HG LEU 15 HG LEU 15 -0.090 -11.498 6.321
151 HD11 LEU 15 1HD1 LEU 15 2.745 -10.976 5.891
152 HD12 LEU 15 2HD1 LEU 15 1.406 -9.853 6.127
153 HD13 LEU 15 3HD1 LEU 15 1.730 -10.513 4.524
154 HD21 LEU 15 3HD2 LEU 15 -0.044 -13.549 4.828
155 HD22 LEU 15 1HD2 LEU 15 1.320 -12.793 4.004
156 HD23 LEU 15 2HD2 LEU 15 -0.251 -11.993 4.023
157 H TYR 16 H TYR 16 4.505 -15.377 6.441
158 HA TYR 16 HA TYR 16 4.736 -15.848 9.175
159 HB2 TYR 16 2HB TYR 16 7.084 -16.699 8.513
160 HB3 TYR 16 3HB TYR 16 5.682 -17.484 7.795
161 HD1 TYR 16 HD2 TYR 16 7.734 -14.449 7.018
162 HD2 TYR 16 HD1 TYR 16 5.998 -18.062 5.593
163 HE1 TYR 16 HE2 TYR 16 8.634 -13.990 4.776
164 HE2 TYR 16 HE1 TYR 16 6.894 -17.614 3.347
165 HH TYR 16 HH TYR 16 8.040 -14.649 2.383
166 H HIS 17 H HIS 17 7.153 -15.592 10.152
167 HA HIS 17 HA HIS 17 7.456 -12.718 10.482
168 HB2 HIS 17 2HB HIS 17 7.358 -14.163 12.475
169 HB3 HIS 17 3HB HIS 17 8.806 -15.005 11.933
170 HD1 HIS 17 HD1 HIS 17 10.954 -14.111 12.789
171 HD2 HIS 17 HD2 HIS 17 7.900 -11.304 13.014
172 HE1 HIS 17 HE1 HIS 17 11.945 -12.135 13.986
173 H GLU 18 H GLU 18 8.279 -12.674 8.174
174 HA GLU 18 HA GLU 18 11.176 -12.586 8.267
175 HB2 GLU 18 2HB GLU 18 9.943 -14.825 7.160
176 HB3 GLU 18 3HB GLU 18 10.353 -13.827 5.772
177 HG2 GLU 18 2HG GLU 18 12.682 -13.701 6.630
178 HG3 GLU 18 3HG GLU 18 12.229 -14.850 7.888
179 H GLY 19 H GLY 19 11.028 -10.369 8.024
180 HA2 GLY 19 2HA GLY 19 11.008 -8.411 6.821
181 HA3 GLY 19 3HA GLY 19 10.874 -9.392 5.369
182 H LYS 20 H LYS 20 9.386 -7.050 7.122
183 HA LYS 20 HA LYS 20 6.650 -7.868 6.801
184 HB2 LYS 20 2HB LYS 20 8.074 -5.470 7.823
185 HB3 LYS 20 3HB LYS 20 6.433 -5.228 7.237
186 HG2 LYS 20 2HG LYS 20 6.028 -5.665 9.438
187 HG3 LYS 20 3HG LYS 20 5.919 -7.295 8.770
188 HD2 LYS 20 2HD LYS 20 8.130 -7.821 9.496
189 HD3 LYS 20 3HD LYS 20 8.448 -6.140 9.934
190 HE2 LYS 20 2HE LYS 20 8.012 -7.215 11.971
191 HE3 LYS 20 3HE LYS 20 6.509 -6.382 11.575
192 HZ1 LYS 20 3HZ LYS 20 6.066 -8.617 12.331
193 HZ2 LYS 20 1HZ LYS 20 7.074 -9.265 11.136
194 HZ3 LYS 20 2HZ LYS 20 5.643 -8.476 10.700
195 H PHE 21 H PHE 21 6.349 -8.295 4.617
196 HA PHE 21 HA PHE 21 5.501 -6.169 3.009
197 HB2 PHE 21 2HB PHE 21 8.202 -6.191 2.978
198 HB3 PHE 21 3HB PHE 21 7.876 -7.311 1.659
199 HD1 PHE 21 HD2 PHE 21 5.860 -6.400 0.075
200 HD2 PHE 21 HD1 PHE 21 8.547 -4.021 2.364
201 HE1 PHE 21 HE2 PHE 21 5.462 -4.501 -1.438
202 HE2 PHE 21 HE1 PHE 21 8.152 -2.118 0.854
203 HZ PHE 21 HZ PHE 21 6.609 -2.357 -1.050
204 H TRP 22 H TRP 22 3.796 -7.248 2.252
205 HA TRP 22 HA TRP 22 4.295 -9.696 0.712
206 HB2 TRP 22 2HB TRP 22 2.406 -9.337 2.999
207 HB3 TRP 22 3HB TRP 22 1.927 -10.384 1.666
208 HD1 TRP 22 HD1 TRP 22 4.797 -10.048 4.243
209 HE1 TRP 22 HE1 TRP 22 5.727 -12.402 4.708
210 HE3 TRP 22 HE3 TRP 22 2.025 -12.698 0.862
211 HZ2 TRP 22 HZ2 TRP 22 5.338 -15.035 3.766
212 HZ3 TRP 22 HZ3 TRP 22 2.365 -15.130 0.707
213 HH2 TRP 22 HH2 TRP 22 3.988 -16.272 2.129
214 H CYS 23 H CYS 23 4.164 -8.177 -1.073
215 HA CYS 23 HA CYS 23 1.666 -8.186 -2.336
216 HB2 CYS 23 2HB CYS 23 1.554 -6.281 -0.471
217 HB3 CYS 23 3HB CYS 23 2.349 -5.350 -1.736
218 HA PRO 24 HA PRO 24 5.110 -7.696 -5.239
219 HB2 PRO 24 2HB PRO 24 3.861 -9.005 -7.264
220 HB3 PRO 24 3HB PRO 24 4.701 -9.842 -5.952
221 HG2 PRO 24 2HG PRO 24 1.774 -9.310 -6.293
222 HG3 PRO 24 3HG PRO 24 2.587 -10.790 -5.750
223 HD2 PRO 24 2HD PRO 24 1.435 -9.046 -4.029
224 HD3 PRO 24 3HD PRO 24 2.873 -9.997 -3.605
Start of MODEL 5
1 H1 THR 1 H THR 1 1.778 2.283 -1.417
2 HA THR 1 HA THR 1 0.142 0.359 -2.737
3 HB THR 1 HB THR 1 -0.116 2.093 -4.411
4 HG1 THR 1 HG1 THR 1 0.185 0.640 -5.920
5 HG21 THR 1 3HG2 THR 1 1.990 3.322 -3.773
6 HG22 THR 1 1HG2 THR 1 1.707 3.170 -5.507
7 HG23 THR 1 2HG2 THR 1 2.884 2.125 -4.711
8 H CYS 2 H CYS 2 1.228 -1.493 -2.682
9 HA CYS 2 HA CYS 2 3.914 -1.644 -1.826
10 HB2 CYS 2 2HB CYS 2 3.693 -4.077 -2.328
11 HB3 CYS 2 3HB CYS 2 2.384 -3.446 -1.334
12 H HIS 3 H HIS 3 5.737 -2.537 -2.952
13 HA HIS 3 HA HIS 3 5.643 -2.578 -5.856
14 HB2 HIS 3 2HB HIS 3 6.122 -0.186 -5.029
15 HB3 HIS 3 3HB HIS 3 7.689 -0.814 -4.526
16 HD1 HIS 3 HD1 HIS 3 8.905 -2.206 -6.677
17 HD2 HIS 3 HD2 HIS 3 6.242 0.875 -7.500
18 HE1 HIS 3 HE1 HIS 3 9.419 -1.483 -9.031
19 H ILE 4 H ILE 4 6.421 -4.579 -6.136
20 HA ILE 4 HA ILE 4 9.143 -5.151 -5.755
21 HB ILE 4 HB ILE 4 8.575 -5.353 -3.394
22 HG12 ILE 4 2HG1 ILE 4 9.022 -8.062 -4.668
23 HG13 ILE 4 3HG1 ILE 4 10.275 -6.862 -4.370
24 HG21 ILE 4 1HG2 ILE 4 6.155 -6.284 -4.261
25 HG22 ILE 4 2HG2 ILE 4 6.926 -7.750 -3.658
26 HG23 ILE 4 3HG2 ILE 4 6.738 -6.353 -2.598
27 HD11 ILE 4 3HD1 ILE 4 9.278 -7.090 -1.897
28 HD12 ILE 4 1HD1 ILE 4 8.932 -8.706 -2.511
29 HD13 ILE 4 2HD1 ILE 4 10.587 -8.096 -2.517
30 H ARG 5 H ARG 5 9.684 -6.647 -7.209
31 HA ARG 5 HA ARG 5 7.709 -7.907 -8.809
32 HB2 ARG 5 2HB ARG 5 9.632 -9.030 -9.898
33 HB3 ARG 5 3HB ARG 5 9.842 -7.289 -9.767
34 HG2 ARG 5 2HG ARG 5 11.258 -7.656 -7.769
35 HG3 ARG 5 3HG ARG 5 11.120 -9.395 -8.038
36 HD2 ARG 5 2HD ARG 5 12.302 -9.280 -10.070
37 HD3 ARG 5 3HD ARG 5 12.124 -7.528 -10.165
38 HE ARG 5 HE ARG 5 13.554 -8.054 -7.855
39 HH11 ARG 5 1HH1 ARG 5 13.936 -8.541 -11.281
40 HH12 ARG 5 2HH1 ARG 5 15.665 -8.445 -11.234
41 HH21 ARG 5 1HH2 ARG 5 15.830 -7.926 -7.780
42 HH22 ARG 5 2HH2 ARG 5 16.742 -8.096 -9.242
43 H ARG 6 H ARG 6 9.878 -9.065 -6.265
44 HA ARG 6 HA ARG 6 9.380 -11.793 -6.460
45 HB2 ARG 6 2HB ARG 6 11.135 -10.857 -5.036
46 HB3 ARG 6 3HB ARG 6 9.919 -10.154 -3.978
47 HG2 ARG 6 2HG ARG 6 10.605 -12.068 -2.855
48 HG3 ARG 6 3HG ARG 6 9.100 -12.555 -3.637
49 HD2 ARG 6 2HD ARG 6 10.574 -14.325 -4.050
50 HD3 ARG 6 3HD ARG 6 10.571 -13.395 -5.548
51 HE ARG 6 HE ARG 6 12.662 -12.648 -3.721
52 HH11 ARG 6 1HH1 ARG 6 11.732 -14.811 -6.286
53 HH12 ARG 6 2HH1 ARG 6 13.361 -15.134 -6.780
54 HH21 ARG 6 1HH2 ARG 6 14.811 -13.066 -4.363
55 HH22 ARG 6 2HH2 ARG 6 15.111 -14.142 -5.685
56 H LYS 7 H LYS 7 7.353 -12.545 -6.683
57 HA LYS 7 HA LYS 7 5.295 -11.623 -4.800
58 HB2 LYS 7 2HB LYS 7 3.674 -12.600 -6.362
59 HB3 LYS 7 3HB LYS 7 4.707 -11.424 -7.163
60 HG2 LYS 7 2HG LYS 7 4.708 -13.095 -8.712
61 HG3 LYS 7 3HG LYS 7 6.123 -13.552 -7.761
62 HD2 LYS 7 2HD LYS 7 5.117 -15.392 -6.903
63 HD3 LYS 7 3HD LYS 7 3.528 -14.626 -6.844
64 HE2 LYS 7 2HE LYS 7 3.813 -14.776 -9.490
65 HE3 LYS 7 3HE LYS 7 4.840 -16.134 -9.034
66 HZ1 LYS 7 3HZ LYS 7 2.384 -16.165 -7.599
67 HZ2 LYS 7 1HZ LYS 7 3.066 -17.362 -8.581
68 HZ3 LYS 7 2HZ LYS 7 2.105 -16.151 -9.267
69 HA PRO 8 HA PRO 8 5.244 -15.428 -2.610
70 HB2 PRO 8 2HB PRO 8 2.613 -15.628 -1.969
71 HB3 PRO 8 3HB PRO 8 3.701 -14.461 -1.208
72 HG2 PRO 8 2HG PRO 8 1.741 -14.051 -3.433
73 HG3 PRO 8 3HG PRO 8 2.072 -13.020 -2.029
74 HD2 PRO 8 2HD PRO 8 3.078 -12.498 -4.488
75 HD3 PRO 8 3HD PRO 8 3.947 -12.090 -2.994
76 H LYS 9 H LYS 9 5.276 -17.497 -3.221
77 HA LYS 9 HA LYS 9 3.137 -18.738 -4.647
78 HB2 LYS 9 2HB LYS 9 4.471 -19.365 -6.650
79 HB3 LYS 9 3HB LYS 9 4.119 -17.645 -6.558
80 HG2 LYS 9 2HG LYS 9 6.298 -17.431 -7.035
81 HG3 LYS 9 3HG LYS 9 6.510 -17.722 -5.307
82 HD2 LYS 9 2HD LYS 9 7.990 -19.233 -6.255
83 HD3 LYS 9 3HD LYS 9 6.553 -20.225 -5.989
84 HE2 LYS 9 2HE LYS 9 6.075 -20.370 -8.220
85 HE3 LYS 9 3HE LYS 9 6.812 -18.812 -8.591
86 HZ1 LYS 9 3HZ LYS 9 8.692 -20.774 -7.654
87 HZ2 LYS 9 1HZ LYS 9 8.767 -19.765 -9.010
88 HZ3 LYS 9 2HZ LYS 9 7.921 -21.227 -9.091
89 H PHE 10 H PHE 10 3.121 -20.877 -4.250
90 HA PHE 10 HA PHE 10 3.683 -22.847 -3.253
91 HB2 PHE 10 2HB PHE 10 6.132 -22.102 -4.813
92 HB3 PHE 10 3HB PHE 10 6.153 -23.539 -3.796
93 HD1 PHE 10 HD1 PHE 10 3.666 -22.005 -6.122
94 HD2 PHE 10 HD2 PHE 10 5.895 -25.458 -5.014
95 HE1 PHE 10 HE1 PHE 10 2.572 -23.283 -7.917
96 HE2 PHE 10 HE2 PHE 10 4.805 -26.741 -6.808
97 HZ PHE 10 HZ PHE 10 3.141 -25.654 -8.263
98 H ARG 11 H ARG 11 3.593 -20.982 -1.376
99 HA ARG 11 HA ARG 11 6.050 -21.313 0.214
100 HB2 ARG 11 2HB ARG 11 5.351 -19.323 1.462
101 HB3 ARG 11 3HB ARG 11 5.501 -18.978 -0.256
102 HG2 ARG 11 2HG ARG 11 2.820 -19.780 0.658
103 HG3 ARG 11 3HG ARG 11 3.409 -18.225 1.248
104 HD2 ARG 11 2HD ARG 11 3.843 -17.510 -1.042
105 HD3 ARG 11 3HD ARG 11 3.295 -19.075 -1.643
106 HE ARG 11 HE ARG 11 1.653 -16.882 -0.749
107 HH11 ARG 11 1HH1 ARG 11 1.818 -20.309 -1.341
108 HH12 ARG 11 2HH1 ARG 11 0.105 -20.491 -1.531
109 HH21 ARG 11 1HH2 ARG 11 -0.604 -17.109 -0.996
110 HH22 ARG 11 2HH2 ARG 11 -1.271 -18.670 -1.335
111 H LYS 12 H LYS 12 5.916 -22.002 2.341
112 HA LYS 12 HA LYS 12 3.667 -23.681 2.951
113 HB2 LYS 12 2HB LYS 12 5.814 -24.516 3.557
114 HB3 LYS 12 3HB LYS 12 6.223 -23.037 4.416
115 HG2 LYS 12 2HG LYS 12 5.120 -23.652 6.283
116 HG3 LYS 12 3HG LYS 12 3.844 -24.481 5.388
117 HD2 LYS 12 2HD LYS 12 6.596 -25.635 5.399
118 HD3 LYS 12 3HD LYS 12 5.577 -25.834 6.826
119 HE2 LYS 12 2HE LYS 12 4.916 -27.688 5.702
120 HE3 LYS 12 3HE LYS 12 3.812 -26.538 4.949
121 HZ1 LYS 12 3HZ LYS 12 5.009 -26.514 3.014
122 HZ2 LYS 12 1HZ LYS 12 5.251 -28.118 3.495
123 HZ3 LYS 12 2HZ LYS 12 6.461 -26.965 3.755
124 H PHE 13 H PHE 13 5.272 -21.354 5.108
125 HA PHE 13 HA PHE 13 2.755 -20.821 6.430
126 HB2 PHE 13 2HB PHE 13 5.237 -20.981 7.405
127 HB3 PHE 13 3HB PHE 13 5.198 -19.251 7.081
128 HD1 PHE 13 HD1 PHE 13 3.558 -17.814 8.225
129 HD2 PHE 13 HD2 PHE 13 3.995 -21.936 9.190
130 HE1 PHE 13 HE1 PHE 13 2.353 -17.443 10.338
131 HE2 PHE 13 HE2 PHE 13 2.790 -21.573 11.304
132 HZ PHE 13 HZ PHE 13 1.967 -19.324 11.880
133 H LYS 14 H LYS 14 1.695 -18.849 6.529
134 HA LYS 14 HA LYS 14 2.343 -17.002 4.338
135 HB2 LYS 14 2HB LYS 14 -0.217 -17.643 5.786
136 HB3 LYS 14 3HB LYS 14 -0.054 -16.187 4.813
137 HG2 LYS 14 2HG LYS 14 0.523 -18.914 3.703
138 HG3 LYS 14 3HG LYS 14 -1.100 -18.221 3.708
139 HD2 LYS 14 2HD LYS 14 1.221 -16.698 2.577
140 HD3 LYS 14 3HD LYS 14 0.379 -17.913 1.612
141 HE2 LYS 14 2HE LYS 14 -1.711 -16.732 1.880
142 HE3 LYS 14 3HE LYS 14 -0.952 -15.570 2.968
143 HZ1 LYS 14 3HZ LYS 14 -0.246 -14.379 1.253
144 HZ2 LYS 14 1HZ LYS 14 -1.198 -15.348 0.244
145 HZ3 LYS 14 2HZ LYS 14 0.432 -15.726 0.488
146 H LEU 15 H LEU 15 2.740 -14.876 4.695
147 HA LEU 15 HA LEU 15 3.455 -13.037 5.834
148 HB2 LEU 15 2HB LEU 15 0.948 -13.848 7.237
149 HB3 LEU 15 3HB LEU 15 1.903 -12.510 7.872
150 HG LEU 15 HG LEU 15 0.039 -11.751 6.467
151 HD11 LEU 15 1HD1 LEU 15 1.788 -10.677 4.667
152 HD12 LEU 15 2HD1 LEU 15 2.856 -11.139 5.991
153 HD13 LEU 15 3HD1 LEU 15 1.492 -10.062 6.293
154 HD21 LEU 15 3HD2 LEU 15 -0.089 -12.218 4.146
155 HD22 LEU 15 1HD2 LEU 15 0.101 -13.770 4.962
156 HD23 LEU 15 2HD2 LEU 15 1.480 -13.026 4.151
157 H TYR 16 H TYR 16 4.731 -15.508 6.532
158 HA TYR 16 HA TYR 16 5.026 -15.956 9.259
159 HB2 TYR 16 2HB TYR 16 7.387 -16.742 8.564
160 HB3 TYR 16 3HB TYR 16 5.997 -17.567 7.866
161 HD1 TYR 16 HD1 TYR 16 7.971 -14.487 7.063
162 HD2 TYR 16 HD2 TYR 16 6.275 -18.126 5.654
163 HE1 TYR 16 HE1 TYR 16 8.827 -14.006 4.808
164 HE2 TYR 16 HE2 TYR 16 7.127 -17.656 3.395
165 HH TYR 16 HH TYR 16 7.797 -15.641 2.064
166 H HIS 17 H HIS 17 7.397 -15.616 10.251
167 HA HIS 17 HA HIS 17 7.640 -12.737 10.545
168 HB2 HIS 17 2HB HIS 17 8.506 -15.122 12.091
169 HB3 HIS 17 3HB HIS 17 9.497 -13.674 12.239
170 HD1 HIS 17 HD1 HIS 17 8.846 -12.377 14.226
171 HD2 HIS 17 HD2 HIS 17 5.567 -14.217 12.458
172 HE1 HIS 17 HE1 HIS 17 6.865 -11.707 15.623
173 H GLU 18 H GLU 18 8.449 -12.681 8.233
174 HA GLU 18 HA GLU 18 11.344 -12.520 8.308
175 HB2 GLU 18 2HB GLU 18 10.163 -14.794 7.219
176 HB3 GLU 18 3HB GLU 18 10.529 -13.791 5.822
177 HG2 GLU 18 2HG GLU 18 12.389 -15.205 6.175
178 HG3 GLU 18 3HG GLU 18 12.865 -13.586 6.686
179 H GLY 19 H GLY 19 11.165 -10.313 8.046
180 HA2 GLY 19 2HA GLY 19 11.090 -8.361 6.837
181 HA3 GLY 19 3HA GLY 19 10.950 -9.351 5.391
182 H LYS 20 H LYS 20 9.444 -7.042 7.187
183 HA LYS 20 HA LYS 20 6.721 -7.903 6.902
184 HB2 LYS 20 2HB LYS 20 8.118 -5.478 7.895
185 HB3 LYS 20 3HB LYS 20 6.465 -5.266 7.334
186 HG2 LYS 20 2HG LYS 20 6.084 -5.710 9.532
187 HG3 LYS 20 3HG LYS 20 6.028 -7.351 8.882
188 HD2 LYS 20 2HD LYS 20 8.127 -7.888 9.718
189 HD3 LYS 20 3HD LYS 20 8.614 -6.196 9.855
190 HE2 LYS 20 2HE LYS 20 6.803 -5.985 11.629
191 HE3 LYS 20 3HE LYS 20 6.730 -7.746 11.613
192 HZ1 LYS 20 3HZ LYS 20 8.244 -6.620 13.311
193 HZ2 LYS 20 1HZ LYS 20 9.291 -6.334 12.013
194 HZ3 LYS 20 2HZ LYS 20 8.879 -7.920 12.434
195 H PHE 21 H PHE 21 6.392 -8.343 4.725
196 HA PHE 21 HA PHE 21 5.479 -6.237 3.125
197 HB2 PHE 21 2HB PHE 21 8.178 -6.212 3.048
198 HB3 PHE 21 3HB PHE 21 7.851 -7.344 1.740
199 HD1 PHE 21 HD1 PHE 21 5.886 -6.511 0.117
200 HD2 PHE 21 HD2 PHE 21 8.382 -4.005 2.485
201 HE1 PHE 21 HE1 PHE 21 5.428 -4.628 -1.399
202 HE2 PHE 21 HE2 PHE 21 7.928 -2.118 0.973
203 HZ PHE 21 HZ PHE 21 6.449 -2.428 -0.972
204 H TRP 22 H TRP 22 3.783 -7.341 2.387
205 HA TRP 22 HA TRP 22 4.296 -9.782 0.843
206 HB2 TRP 22 2HB TRP 22 2.454 -9.468 3.176
207 HB3 TRP 22 3HB TRP 22 1.966 -10.522 1.852
208 HD1 TRP 22 HD1 TRP 22 4.870 -10.135 4.380
209 HE1 TRP 22 HE1 TRP 22 5.868 -12.469 4.808
210 HE3 TRP 22 HE3 TRP 22 2.120 -12.825 1.012
211 HZ2 TRP 22 HZ2 TRP 22 5.534 -15.101 3.846
212 HZ3 TRP 22 HZ3 TRP 22 2.521 -15.246 0.828
213 HH2 TRP 22 HH2 TRP 22 4.194 -16.358 2.216
214 H CYS 23 H CYS 23 4.089 -8.267 -0.937
215 HA CYS 23 HA CYS 23 1.556 -8.323 -2.132
216 HB2 CYS 23 2HB CYS 23 0.973 -6.594 -0.503
217 HB3 CYS 23 3HB CYS 23 2.347 -5.622 -1.020
218 HA PRO 24 HA PRO 24 4.913 -7.801 -5.131
219 HB2 PRO 24 2HB PRO 24 3.629 -9.143 -7.111
220 HB3 PRO 24 3HB PRO 24 4.518 -9.957 -5.819
221 HG2 PRO 24 2HG PRO 24 1.575 -9.474 -6.081
222 HG3 PRO 24 3HG PRO 24 2.426 -10.937 -5.552
223 HD2 PRO 24 2HD PRO 24 1.294 -9.200 -3.811
224 HD3 PRO 24 3HD PRO 24 2.758 -10.125 -3.421
Start of MODEL 6
1 H1 THR 1 H THR 1 1.786 2.016 -3.098
2 HA THR 1 HA THR 1 4.239 1.072 -2.544
3 HB THR 1 HB THR 1 2.913 2.358 -0.925
4 HG1 THR 1 HG1 THR 1 4.687 1.359 -0.036
5 HG21 THR 1 3HG2 THR 1 0.917 1.679 -0.208
6 HG22 THR 1 1HG2 THR 1 1.614 0.191 0.433
7 HG23 THR 1 2HG2 THR 1 1.062 0.257 -1.241
8 H CYS 2 H CYS 2 3.106 -0.898 -4.215
9 HA CYS 2 HA CYS 2 3.257 -3.273 -2.476
10 HB2 CYS 2 2HB CYS 2 1.560 -2.707 -4.885
11 HB3 CYS 2 3HB CYS 2 1.992 -4.366 -4.481
12 H HIS 3 H HIS 3 5.613 -2.285 -3.228
13 HA HIS 3 HA HIS 3 6.444 -3.686 -5.662
14 HB2 HIS 3 2HB HIS 3 7.456 -1.374 -4.128
15 HB3 HIS 3 3HB HIS 3 8.694 -2.435 -4.795
16 HD1 HIS 3 HD1 HIS 3 9.473 -0.741 -6.545
17 HD2 HIS 3 HD2 HIS 3 5.440 -1.695 -6.835
18 HE1 HIS 3 HE1 HIS 3 8.714 0.212 -8.745
19 H ILE 4 H ILE 4 7.582 -5.519 -5.612
20 HA ILE 4 HA ILE 4 9.115 -6.238 -3.244
21 HB ILE 4 HB ILE 4 6.816 -7.158 -2.893
22 HG12 ILE 4 2HG1 ILE 4 8.890 -9.316 -3.308
23 HG13 ILE 4 3HG1 ILE 4 8.931 -8.178 -1.965
24 HG21 ILE 4 1HG2 ILE 4 7.414 -9.130 -5.064
25 HG22 ILE 4 2HG2 ILE 4 5.879 -8.774 -4.275
26 HG23 ILE 4 3HG2 ILE 4 6.571 -7.623 -5.417
27 HD11 ILE 4 3HD1 ILE 4 6.826 -9.016 -1.145
28 HD12 ILE 4 1HD1 ILE 4 6.678 -10.088 -2.537
29 HD13 ILE 4 2HD1 ILE 4 7.962 -10.348 -1.356
30 H ARG 5 H ARG 5 10.659 -7.895 -3.610
31 HA ARG 5 HA ARG 5 11.981 -7.823 -6.028
32 HB2 ARG 5 2HB ARG 5 13.119 -9.930 -5.249
33 HB3 ARG 5 3HB ARG 5 13.138 -8.602 -4.096
34 HG2 ARG 5 2HG ARG 5 11.170 -9.664 -2.973
35 HG3 ARG 5 3HG ARG 5 11.402 -11.055 -4.034
36 HD2 ARG 5 2HD ARG 5 13.709 -11.277 -3.170
37 HD3 ARG 5 3HD ARG 5 13.390 -9.949 -2.054
38 HE ARG 5 HE ARG 5 11.458 -12.009 -1.770
39 HH11 ARG 5 1HH1 ARG 5 14.749 -11.177 -0.999
40 HH12 ARG 5 2HH1 ARG 5 14.811 -12.183 0.410
41 HH21 ARG 5 1HH2 ARG 5 11.527 -13.338 0.082
42 HH22 ARG 5 2HH2 ARG 5 12.977 -13.413 1.024
43 H ARG 6 H ARG 6 9.714 -10.301 -4.862
44 HA ARG 6 HA ARG 6 8.900 -10.881 -7.567
45 HB2 ARG 6 2HB ARG 6 10.789 -12.326 -7.549
46 HB3 ARG 6 3HB ARG 6 10.429 -12.893 -5.924
47 HG2 ARG 6 2HG ARG 6 8.601 -14.179 -6.667
48 HG3 ARG 6 3HG ARG 6 8.592 -13.390 -8.246
49 HD2 ARG 6 2HD ARG 6 10.879 -15.063 -7.223
50 HD3 ARG 6 3HD ARG 6 9.566 -15.703 -8.211
51 HE ARG 6 HE ARG 6 11.763 -14.059 -9.089
52 HH11 ARG 6 1HH1 ARG 6 8.536 -15.169 -9.777
53 HH12 ARG 6 2HH1 ARG 6 8.659 -14.878 -11.481
54 HH21 ARG 6 1HH2 ARG 6 11.937 -13.671 -11.330
55 HH22 ARG 6 2HH2 ARG 6 10.594 -14.026 -12.363
56 H LYS 7 H LYS 7 6.834 -11.572 -7.638
57 HA LYS 7 HA LYS 7 5.202 -11.428 -5.372
58 HB2 LYS 7 2HB LYS 7 3.455 -12.464 -6.836
59 HB3 LYS 7 3HB LYS 7 4.252 -11.064 -7.542
60 HG2 LYS 7 2HG LYS 7 4.173 -12.542 -9.309
61 HG3 LYS 7 3HG LYS 7 5.796 -12.807 -8.667
62 HD2 LYS 7 2HD LYS 7 5.305 -14.894 -7.925
63 HD3 LYS 7 3HD LYS 7 3.638 -14.474 -7.522
64 HE2 LYS 7 2HE LYS 7 3.437 -15.953 -9.319
65 HE3 LYS 7 3HE LYS 7 3.256 -14.360 -10.051
66 HZ1 LYS 7 3HZ LYS 7 5.940 -14.851 -10.146
67 HZ2 LYS 7 1HZ LYS 7 4.856 -14.986 -11.437
68 HZ3 LYS 7 2HZ LYS 7 5.250 -16.349 -10.517
69 HA PRO 8 HA PRO 8 5.440 -15.369 -3.454
70 HB2 PRO 8 2HB PRO 8 2.891 -15.690 -2.577
71 HB3 PRO 8 3HB PRO 8 4.020 -14.544 -1.847
72 HG2 PRO 8 2HG PRO 8 1.842 -14.049 -3.839
73 HG3 PRO 8 3HG PRO 8 2.284 -13.102 -2.407
74 HD2 PRO 8 2HD PRO 8 3.031 -12.391 -4.911
75 HD3 PRO 8 3HD PRO 8 4.032 -12.054 -3.484
76 H LYS 9 H LYS 9 5.465 -17.390 -4.209
77 HA LYS 9 HA LYS 9 3.420 -18.171 -6.184
78 HB2 LYS 9 2HB LYS 9 5.555 -18.015 -7.275
79 HB3 LYS 9 3HB LYS 9 6.334 -18.945 -6.001
80 HG2 LYS 9 2HG LYS 9 5.069 -20.921 -6.653
81 HG3 LYS 9 3HG LYS 9 4.259 -19.992 -7.917
82 HD2 LYS 9 2HD LYS 9 6.352 -19.640 -9.062
83 HD3 LYS 9 3HD LYS 9 7.242 -20.414 -7.749
84 HE2 LYS 9 2HE LYS 9 7.101 -22.205 -9.129
85 HE3 LYS 9 3HE LYS 9 5.539 -22.390 -8.333
86 HZ1 LYS 9 3HZ LYS 9 4.720 -20.887 -10.249
87 HZ2 LYS 9 1HZ LYS 9 4.987 -22.531 -10.546
88 HZ3 LYS 9 2HZ LYS 9 6.133 -21.386 -11.033
89 H PHE 10 H PHE 10 5.865 -19.985 -4.346
90 HA PHE 10 HA PHE 10 3.689 -21.549 -3.131
91 HB2 PHE 10 2HB PHE 10 5.985 -22.479 -4.759
92 HB3 PHE 10 3HB PHE 10 5.615 -23.427 -3.322
93 HD1 PHE 10 HD2 PHE 10 2.839 -23.615 -3.098
94 HD2 PHE 10 HD1 PHE 10 5.154 -23.424 -6.665
95 HE1 PHE 10 HE2 PHE 10 1.043 -24.768 -4.321
96 HE2 PHE 10 HE1 PHE 10 3.361 -24.576 -7.894
97 HZ PHE 10 HZ PHE 10 1.302 -25.251 -6.722
98 H ARG 11 H ARG 11 3.873 -20.502 -1.162
99 HA ARG 11 HA ARG 11 6.425 -20.900 0.259
100 HB2 ARG 11 2HB ARG 11 5.822 -18.961 1.649
101 HB3 ARG 11 3HB ARG 11 5.942 -18.533 -0.052
102 HG2 ARG 11 2HG ARG 11 3.262 -19.289 0.932
103 HG3 ARG 11 3HG ARG 11 3.925 -17.759 1.513
104 HD2 ARG 11 2HD ARG 11 4.296 -17.043 -0.794
105 HD3 ARG 11 3HD ARG 11 3.652 -18.576 -1.378
106 HE ARG 11 HE ARG 11 2.153 -16.321 -0.395
107 HH11 ARG 11 1HH1 ARG 11 2.137 -19.748 -1.011
108 HH12 ARG 11 2HH1 ARG 11 0.411 -19.852 -1.120
109 HH21 ARG 11 1HH2 ARG 11 -0.121 -16.446 -0.536
110 HH22 ARG 11 2HH2 ARG 11 -0.872 -17.974 -0.850
111 H LYS 12 H LYS 12 6.383 -21.731 2.328
112 HA LYS 12 HA LYS 12 4.254 -23.482 2.961
113 HB2 LYS 12 2HB LYS 12 6.787 -22.641 4.293
114 HB3 LYS 12 3HB LYS 12 5.576 -23.469 5.263
115 HG2 LYS 12 2HG LYS 12 6.938 -25.188 4.527
116 HG3 LYS 12 3HG LYS 12 5.589 -25.232 3.389
117 HD2 LYS 12 2HD LYS 12 6.848 -24.316 1.667
118 HD3 LYS 12 3HD LYS 12 8.035 -23.619 2.772
119 HE2 LYS 12 2HE LYS 12 8.864 -25.854 3.297
120 HE3 LYS 12 3HE LYS 12 7.663 -26.562 2.218
121 HZ1 LYS 12 3HZ LYS 12 10.184 -25.856 1.521
122 HZ2 LYS 12 1HZ LYS 12 9.271 -24.548 0.954
123 HZ3 LYS 12 2HZ LYS 12 8.908 -26.119 0.442
124 H PHE 13 H PHE 13 5.509 -20.887 5.054
125 HA PHE 13 HA PHE 13 2.914 -20.633 6.313
126 HB2 PHE 13 2HB PHE 13 5.645 -19.520 6.837
127 HB3 PHE 13 3HB PHE 13 4.242 -18.758 7.578
128 HD1 PHE 13 HD1 PHE 13 2.568 -20.528 8.694
129 HD2 PHE 13 HD2 PHE 13 6.738 -21.108 8.066
130 HE1 PHE 13 HE1 PHE 13 2.600 -22.211 10.488
131 HE2 PHE 13 HE2 PHE 13 6.777 -22.793 9.859
132 HZ PHE 13 HZ PHE 13 4.706 -23.347 11.072
133 H LYS 14 H LYS 14 2.421 -18.152 6.885
134 HA LYS 14 HA LYS 14 2.589 -16.572 4.415
135 HB2 LYS 14 2HB LYS 14 0.107 -17.323 5.940
136 HB3 LYS 14 3HB LYS 14 0.161 -15.875 4.943
137 HG2 LYS 14 2HG LYS 14 0.860 -18.585 3.860
138 HG3 LYS 14 3HG LYS 14 -0.796 -17.976 3.891
139 HD2 LYS 14 2HD LYS 14 1.467 -16.434 2.646
140 HD3 LYS 14 3HD LYS 14 0.520 -17.618 1.743
141 HE2 LYS 14 2HE LYS 14 -0.573 -15.186 3.156
142 HE3 LYS 14 3HE LYS 14 -0.322 -15.340 1.418
143 HZ1 LYS 14 3HZ LYS 14 -1.830 -17.491 1.942
144 HZ2 LYS 14 1HZ LYS 14 -2.448 -16.000 1.433
145 HZ3 LYS 14 2HZ LYS 14 -2.441 -16.396 3.078
146 H LEU 15 H LEU 15 2.900 -14.425 4.707
147 HA LEU 15 HA LEU 15 3.539 -12.520 5.779
148 HB2 LEU 15 2HB LEU 15 1.102 -13.412 7.255
149 HB3 LEU 15 3HB LEU 15 2.001 -12.010 7.831
150 HG LEU 15 HG LEU 15 0.072 -11.392 6.440
151 HD11 LEU 15 1HD1 LEU 15 1.718 -10.265 4.586
152 HD12 LEU 15 2HD1 LEU 15 2.847 -10.651 5.884
153 HD13 LEU 15 3HD1 LEU 15 1.442 -9.637 6.210
154 HD21 LEU 15 3HD2 LEU 15 -0.252 -12.084 4.282
155 HD22 LEU 15 1HD2 LEU 15 0.488 -13.530 4.967
156 HD23 LEU 15 2HD2 LEU 15 1.460 -12.412 4.011
157 H TYR 16 H TYR 16 4.989 -14.859 6.502
158 HA TYR 16 HA TYR 16 5.346 -15.246 9.233
159 HB2 TYR 16 2HB TYR 16 7.746 -15.882 8.512
160 HB3 TYR 16 3HB TYR 16 6.404 -16.813 7.856
161 HD1 TYR 16 HD1 TYR 16 8.143 -13.621 6.956
162 HD2 TYR 16 HD2 TYR 16 6.686 -17.400 5.652
163 HE1 TYR 16 HE1 TYR 16 8.925 -13.129 4.677
164 HE2 TYR 16 HE2 TYR 16 7.465 -16.919 3.369
165 HH TYR 16 HH TYR 16 9.508 -15.178 2.450
166 H HIS 17 H HIS 17 7.744 -14.740 10.142
167 HA HIS 17 HA HIS 17 7.785 -11.846 10.407
168 HB2 HIS 17 2HB HIS 17 7.881 -13.249 12.428
169 HB3 HIS 17 3HB HIS 17 9.385 -13.966 11.858
170 HD1 HIS 17 HD1 HIS 17 8.129 -10.428 12.533
171 HD2 HIS 17 HD2 HIS 17 11.520 -12.784 12.998
172 HE1 HIS 17 HE1 HIS 17 9.814 -8.962 13.689
173 H GLU 18 H GLU 18 8.536 -11.768 8.076
174 HA GLU 18 HA GLU 18 11.414 -11.409 8.081
175 HB2 GLU 18 2HB GLU 18 10.366 -13.773 7.048
176 HB3 GLU 18 3HB GLU 18 10.636 -12.768 5.632
177 HG2 GLU 18 2HG GLU 18 12.623 -13.936 5.868
178 HG3 GLU 18 3HG GLU 18 12.973 -12.368 6.594
179 H GLY 19 H GLY 19 11.045 -9.219 7.811
180 HA2 GLY 19 2HA GLY 19 10.810 -7.294 6.578
181 HA3 GLY 19 3HA GLY 19 10.726 -8.309 5.146
182 H LYS 20 H LYS 20 9.088 -6.059 6.853
183 HA LYS 20 HA LYS 20 6.427 -7.138 6.654
184 HB2 LYS 20 2HB LYS 20 7.656 -4.598 7.577
185 HB3 LYS 20 3HB LYS 20 5.987 -4.514 7.028
186 HG2 LYS 20 2HG LYS 20 5.479 -6.390 8.621
187 HG3 LYS 20 3HG LYS 20 7.106 -6.176 9.269
188 HD2 LYS 20 2HD LYS 20 6.585 -3.857 9.831
189 HD3 LYS 20 3HD LYS 20 4.964 -4.051 9.158
190 HE2 LYS 20 2HE LYS 20 6.041 -5.723 11.420
191 HE3 LYS 20 3HE LYS 20 5.126 -4.236 11.661
192 HZ1 LYS 20 3HZ LYS 20 4.215 -6.840 10.682
193 HZ2 LYS 20 1HZ LYS 20 3.451 -5.456 10.081
194 HZ3 LYS 20 2HZ LYS 20 3.459 -5.762 11.744
195 H PHE 21 H PHE 21 6.100 -7.651 4.494
196 HA PHE 21 HA PHE 21 5.017 -5.655 2.860
197 HB2 PHE 21 2HB PHE 21 7.707 -5.440 2.742
198 HB3 PHE 21 3HB PHE 21 7.442 -6.619 1.462
199 HD1 PHE 21 HD1 PHE 21 5.505 -5.986 -0.216
200 HD2 PHE 21 HD2 PHE 21 7.640 -3.211 2.204
201 HE1 PHE 21 HE1 PHE 21 4.894 -4.172 -1.762
202 HE2 PHE 21 HE2 PHE 21 7.032 -1.393 0.663
203 HZ PHE 21 HZ PHE 21 5.656 -1.872 -1.323
204 H TRP 22 H TRP 22 3.396 -6.894 2.171
205 HA TRP 22 HA TRP 22 4.063 -9.329 0.677
206 HB2 TRP 22 2HB TRP 22 2.234 -9.091 3.028
207 HB3 TRP 22 3HB TRP 22 1.804 -10.208 1.735
208 HD1 TRP 22 HD1 TRP 22 4.739 -9.549 4.176
209 HE1 TRP 22 HE1 TRP 22 5.893 -11.799 4.656
210 HE3 TRP 22 HE3 TRP 22 2.066 -12.526 0.994
211 HZ2 TRP 22 HZ2 TRP 22 5.697 -14.481 3.798
212 HZ3 TRP 22 HZ3 TRP 22 2.612 -14.923 0.883
213 HH2 TRP 22 HH2 TRP 22 4.391 -15.878 2.256
214 H CYS 23 H CYS 23 3.727 -7.870 -1.132
215 HA CYS 23 HA CYS 23 1.199 -8.143 -2.301
216 HB2 CYS 23 2HB CYS 23 0.465 -6.450 -0.714
217 HB3 CYS 23 3HB CYS 23 1.775 -5.382 -1.206
218 HA PRO 24 HA PRO 24 4.480 -7.395 -5.337
219 HB2 PRO 24 2HB PRO 24 3.295 -8.865 -7.287
220 HB3 PRO 24 3HB PRO 24 4.256 -9.586 -5.990
221 HG2 PRO 24 2HG PRO 24 1.282 -9.346 -6.235
222 HG3 PRO 24 3HG PRO 24 2.252 -10.728 -5.692
223 HD2 PRO 24 2HD PRO 24 0.996 -9.062 -3.966
224 HD3 PRO 24 3HD PRO 24 2.533 -9.860 -3.575
Start of MODEL 7
1 H1 THR 1 H THR 1 1.100 0.490 -4.859
2 HA THR 1 HA THR 1 1.173 1.740 -2.201
3 HB THR 1 HB THR 1 -0.141 -0.436 -1.601
4 HG1 THR 1 HG1 THR 1 0.270 -1.246 -3.842
5 HG21 THR 1 3HG2 THR 1 -0.963 2.126 -2.706
6 HG22 THR 1 1HG2 THR 1 -1.607 1.234 -1.329
7 HG23 THR 1 2HG2 THR 1 -2.170 0.865 -2.959
8 H CYS 2 H CYS 2 2.541 -0.791 -4.138
9 HA CYS 2 HA CYS 2 4.415 -1.400 -1.982
10 HB2 CYS 2 2HB CYS 2 4.195 -3.868 -2.555
11 HB3 CYS 2 3HB CYS 2 2.862 -3.161 -1.648
12 H HIS 3 H HIS 3 6.293 -2.675 -2.777
13 HA HIS 3 HA HIS 3 6.750 -2.565 -5.650
14 HB2 HIS 3 2HB HIS 3 8.992 -1.422 -5.214
15 HB3 HIS 3 3HB HIS 3 7.556 -0.408 -5.117
16 HD1 HIS 3 HD1 HIS 3 6.822 0.371 -2.726
17 HD2 HIS 3 HD2 HIS 3 10.436 -1.673 -2.863
18 HE1 HIS 3 HE1 HIS 3 7.925 0.806 -0.508
19 H ILE 4 H ILE 4 7.171 -4.676 -5.929
20 HA ILE 4 HA ILE 4 9.641 -5.762 -5.130
21 HB ILE 4 HB ILE 4 8.464 -5.925 -2.939
22 HG12 ILE 4 2HG1 ILE 4 9.025 -8.317 -2.557
23 HG13 ILE 4 3HG1 ILE 4 9.163 -8.537 -4.298
24 HG21 ILE 4 1HG2 ILE 4 6.270 -6.581 -4.349
25 HG22 ILE 4 2HG2 ILE 4 6.820 -8.186 -3.873
26 HG23 ILE 4 3HG2 ILE 4 6.484 -6.969 -2.642
27 HD11 ILE 4 3HD1 ILE 4 11.131 -7.373 -4.424
28 HD12 ILE 4 1HD1 ILE 4 10.800 -6.440 -2.965
29 HD13 ILE 4 2HD1 ILE 4 11.279 -8.133 -2.839
30 H ARG 5 H ARG 5 10.122 -7.653 -6.220
31 HA ARG 5 HA ARG 5 8.237 -8.369 -8.319
32 HB2 ARG 5 2HB ARG 5 10.131 -9.608 -9.291
33 HB3 ARG 5 3HB ARG 5 10.540 -7.928 -8.969
34 HG2 ARG 5 2HG ARG 5 11.667 -8.635 -6.890
35 HG3 ARG 5 3HG ARG 5 11.321 -10.315 -7.309
36 HD2 ARG 5 2HD ARG 5 13.554 -9.859 -7.995
37 HD3 ARG 5 3HD ARG 5 12.563 -9.940 -9.452
38 HE ARG 5 HE ARG 5 12.619 -7.285 -8.757
39 HH11 ARG 5 1HH1 ARG 5 14.980 -9.725 -9.527
40 HH12 ARG 5 2HH1 ARG 5 16.116 -8.600 -10.194
41 HH21 ARG 5 1HH2 ARG 5 14.106 -5.795 -9.632
42 HH22 ARG 5 2HH2 ARG 5 15.619 -6.365 -10.252
43 H ARG 6 H ARG 6 9.930 -9.862 -5.602
44 HA ARG 6 HA ARG 6 9.215 -12.517 -6.025
45 HB2 ARG 6 2HB ARG 6 9.826 -10.925 -3.555
46 HB3 ARG 6 3HB ARG 6 9.330 -12.607 -3.428
47 HG2 ARG 6 2HG ARG 6 11.592 -11.817 -5.218
48 HG3 ARG 6 3HG ARG 6 11.840 -12.043 -3.485
49 HD2 ARG 6 2HD ARG 6 10.791 -14.314 -3.740
50 HD3 ARG 6 3HD ARG 6 10.850 -14.065 -5.485
51 HE ARG 6 HE ARG 6 13.390 -13.682 -4.222
52 HH11 ARG 6 1HH1 ARG 6 11.190 -16.061 -5.493
53 HH12 ARG 6 2HH1 ARG 6 12.431 -17.225 -5.819
54 HH21 ARG 6 1HH2 ARG 6 15.033 -15.205 -4.647
55 HH22 ARG 6 2HH2 ARG 6 14.617 -16.737 -5.337
56 H LYS 7 H LYS 7 7.176 -13.057 -6.546
57 HA LYS 7 HA LYS 7 4.980 -12.023 -4.890
58 HB2 LYS 7 2HB LYS 7 3.497 -12.750 -6.704
59 HB3 LYS 7 3HB LYS 7 4.733 -11.646 -7.291
60 HG2 LYS 7 2HG LYS 7 4.783 -13.228 -8.930
61 HG3 LYS 7 3HG LYS 7 6.010 -13.874 -7.838
62 HD2 LYS 7 2HD LYS 7 4.712 -15.629 -7.200
63 HD3 LYS 7 3HD LYS 7 3.210 -14.717 -7.364
64 HE2 LYS 7 2HE LYS 7 4.806 -15.456 -9.785
65 HE3 LYS 7 3HE LYS 7 3.735 -16.637 -9.032
66 HZ1 LYS 7 3HZ LYS 7 2.033 -14.693 -9.194
67 HZ2 LYS 7 1HZ LYS 7 2.344 -15.664 -10.544
68 HZ3 LYS 7 2HZ LYS 7 3.062 -14.138 -10.417
69 HA PRO 8 HA PRO 8 4.283 -15.909 -2.970
70 HB2 PRO 8 2HB PRO 8 1.583 -15.874 -2.683
71 HB3 PRO 8 3HB PRO 8 2.665 -14.864 -1.717
72 HG2 PRO 8 2HG PRO 8 1.065 -14.145 -4.143
73 HG3 PRO 8 3HG PRO 8 1.301 -13.225 -2.645
74 HD2 PRO 8 2HD PRO 8 2.670 -12.684 -4.918
75 HD3 PRO 8 3HD PRO 8 3.367 -12.442 -3.303
76 H LYS 9 H LYS 9 3.973 -17.994 -3.543
77 HA LYS 9 HA LYS 9 2.150 -18.668 -5.711
78 HB2 LYS 9 2HB LYS 9 4.372 -18.156 -6.755
79 HB3 LYS 9 3HB LYS 9 5.059 -19.478 -5.822
80 HG2 LYS 9 2HG LYS 9 2.693 -20.065 -7.510
81 HG3 LYS 9 3HG LYS 9 4.240 -19.791 -8.314
82 HD2 LYS 9 2HD LYS 9 5.236 -21.504 -6.774
83 HD3 LYS 9 3HD LYS 9 3.599 -21.862 -6.218
84 HE2 LYS 9 2HE LYS 9 3.753 -23.427 -7.858
85 HE3 LYS 9 3HE LYS 9 3.183 -22.076 -8.837
86 HZ1 LYS 9 3HZ LYS 9 5.559 -23.521 -9.107
87 HZ2 LYS 9 1HZ LYS 9 5.976 -21.940 -8.674
88 HZ3 LYS 9 2HZ LYS 9 5.018 -22.218 -10.040
89 H PHE 10 H PHE 10 4.861 -20.298 -4.067
90 HA PHE 10 HA PHE 10 2.929 -22.288 -3.073
91 HB2 PHE 10 2HB PHE 10 4.537 -24.023 -3.387
92 HB3 PHE 10 3HB PHE 10 4.490 -23.101 -4.886
93 HD1 PHE 10 HD1 PHE 10 6.261 -21.193 -5.085
94 HD2 PHE 10 HD2 PHE 10 6.571 -24.495 -2.419
95 HE1 PHE 10 HE1 PHE 10 8.694 -20.854 -4.955
96 HE2 PHE 10 HE2 PHE 10 9.004 -24.162 -2.283
97 HZ PHE 10 HZ PHE 10 10.069 -22.339 -3.551
98 H ARG 11 H ARG 11 3.870 -19.851 -1.766
99 HA ARG 11 HA ARG 11 5.870 -20.331 0.127
100 HB2 ARG 11 2HB ARG 11 4.924 -18.465 1.370
101 HB3 ARG 11 3HB ARG 11 4.945 -18.101 -0.350
102 HG2 ARG 11 2HG ARG 11 2.456 -19.328 0.546
103 HG3 ARG 11 3HG ARG 11 2.808 -17.783 1.322
104 HD2 ARG 11 2HD ARG 11 3.179 -16.807 -0.937
105 HD3 ARG 11 3HD ARG 11 2.655 -18.337 -1.638
106 HE ARG 11 HE ARG 11 0.991 -16.301 -0.475
107 HH11 ARG 11 1HH1 ARG 11 1.252 -19.678 -1.278
108 HH12 ARG 11 2HH1 ARG 11 -0.461 -19.928 -1.348
109 HH21 ARG 11 1HH2 ARG 11 -1.266 -16.616 -0.564
110 HH22 ARG 11 2HH2 ARG 11 -1.892 -18.185 -0.942
111 H LYS 12 H LYS 12 5.810 -20.988 2.284
112 HA LYS 12 HA LYS 12 3.912 -23.053 2.861
113 HB2 LYS 12 2HB LYS 12 6.309 -21.916 4.246
114 HB3 LYS 12 3HB LYS 12 5.203 -22.944 5.149
115 HG2 LYS 12 2HG LYS 12 5.570 -24.766 3.627
116 HG3 LYS 12 3HG LYS 12 6.551 -23.741 2.577
117 HD2 LYS 12 2HD LYS 12 7.285 -24.180 5.453
118 HD3 LYS 12 3HD LYS 12 7.755 -25.333 4.202
119 HE2 LYS 12 2HE LYS 12 8.355 -22.390 4.022
120 HE3 LYS 12 3HE LYS 12 9.451 -23.542 4.782
121 HZ1 LYS 12 3HZ LYS 12 9.663 -24.717 2.726
122 HZ2 LYS 12 1HZ LYS 12 9.974 -23.080 2.430
123 HZ3 LYS 12 2HZ LYS 12 8.488 -23.752 1.982
124 H PHE 13 H PHE 13 4.894 -20.395 5.010
125 HA PHE 13 HA PHE 13 2.149 -20.277 6.015
126 HB2 PHE 13 2HB PHE 13 4.817 -19.479 7.100
127 HB3 PHE 13 3HB PHE 13 3.379 -18.663 7.705
128 HD1 PHE 13 HD1 PHE 13 5.056 -21.929 7.382
129 HD2 PHE 13 HD2 PHE 13 1.895 -19.735 9.202
130 HE1 PHE 13 HE1 PHE 13 4.652 -23.800 8.929
131 HE2 PHE 13 HE2 PHE 13 1.487 -21.602 10.752
132 HZ PHE 13 HZ PHE 13 2.867 -23.637 10.617
133 H LYS 14 H LYS 14 1.049 -18.279 6.267
134 HA LYS 14 HA LYS 14 1.707 -16.363 4.165
135 HB2 LYS 14 2HB LYS 14 -0.764 -16.862 5.815
136 HB3 LYS 14 3HB LYS 14 -0.594 -15.432 4.806
137 HG2 LYS 14 2HG LYS 14 -0.317 -18.229 3.743
138 HG3 LYS 14 3HG LYS 14 -1.851 -17.356 3.789
139 HD2 LYS 14 2HD LYS 14 0.602 -16.212 2.479
140 HD3 LYS 14 3HD LYS 14 -0.517 -17.267 1.613
141 HE2 LYS 14 2HE LYS 14 -2.342 -15.727 2.047
142 HE3 LYS 14 3HE LYS 14 -1.275 -14.696 2.999
143 HZ1 LYS 14 3HZ LYS 14 -0.094 -15.077 0.498
144 HZ2 LYS 14 1HZ LYS 14 -0.718 -13.646 1.150
145 HZ3 LYS 14 2HZ LYS 14 -1.712 -14.660 0.231
146 H LEU 15 H LEU 15 2.416 -14.348 4.532
147 HA LEU 15 HA LEU 15 3.353 -12.599 5.653
148 HB2 LEU 15 2HB LEU 15 0.766 -13.089 7.059
149 HB3 LEU 15 3HB LEU 15 1.873 -11.868 7.682
150 HG LEU 15 HG LEU 15 0.117 -10.904 6.265
151 HD11 LEU 15 1HD1 LEU 15 2.986 -10.643 5.788
152 HD12 LEU 15 2HD1 LEU 15 1.762 -9.405 6.067
153 HD13 LEU 15 3HD1 LEU 15 1.985 -10.076 4.452
154 HD21 LEU 15 3HD2 LEU 15 -0.029 -12.960 4.784
155 HD22 LEU 15 1HD2 LEU 15 1.388 -12.329 3.944
156 HD23 LEU 15 2HD2 LEU 15 -0.107 -11.395 3.972
157 H TYR 16 H TYR 16 4.341 -15.183 6.376
158 HA TYR 16 HA TYR 16 4.573 -15.648 9.105
159 HB2 TYR 16 2HB TYR 16 6.839 -16.687 8.426
160 HB3 TYR 16 3HB TYR 16 5.372 -17.360 7.724
161 HD1 TYR 16 HD2 TYR 16 7.639 -14.493 6.911
162 HD2 TYR 16 HD1 TYR 16 5.633 -17.980 5.525
163 HE1 TYR 16 HE2 TYR 16 8.552 -14.116 4.658
164 HE2 TYR 16 HE1 TYR 16 6.542 -17.614 3.269
165 HH TYR 16 HH TYR 16 7.652 -14.901 2.152
166 H HIS 17 H HIS 17 6.946 -15.558 10.126
167 HA HIS 17 HA HIS 17 7.496 -12.726 10.422
168 HB2 HIS 17 2HB HIS 17 8.129 -15.198 11.946
169 HB3 HIS 17 3HB HIS 17 9.252 -13.851 12.104
170 HD1 HIS 17 HD1 HIS 17 6.066 -15.108 13.342
171 HD2 HIS 17 HD2 HIS 17 7.966 -11.422 13.094
172 HE1 HIS 17 HE1 HIS 17 4.837 -13.609 14.944
173 H GLU 18 H GLU 18 8.294 -12.752 8.100
174 HA GLU 18 HA GLU 18 11.190 -12.864 8.164
175 HB2 GLU 18 2HB GLU 18 9.797 -15.022 7.088
176 HB3 GLU 18 3HB GLU 18 10.258 -14.065 5.687
177 HG2 GLU 18 2HG GLU 18 11.963 -15.675 6.077
178 HG3 GLU 18 3HG GLU 18 12.600 -14.091 6.515
179 H GLY 19 H GLY 19 11.176 -10.640 7.912
180 HA2 GLY 19 2HA GLY 19 11.289 -8.698 6.686
181 HA3 GLY 19 3HA GLY 19 11.060 -9.677 5.245
182 H LYS 20 H LYS 20 9.879 -7.073 6.526
183 HA LYS 20 HA LYS 20 7.043 -7.722 6.453
184 HB2 LYS 20 2HB LYS 20 8.681 -5.416 7.339
185 HB3 LYS 20 3HB LYS 20 7.075 -5.043 6.729
186 HG2 LYS 20 2HG LYS 20 6.584 -5.329 8.926
187 HG3 LYS 20 3HG LYS 20 6.386 -6.993 8.373
188 HD2 LYS 20 2HD LYS 20 8.577 -7.578 9.157
189 HD3 LYS 20 3HD LYS 20 8.944 -5.892 9.533
190 HE2 LYS 20 2HE LYS 20 7.523 -5.865 11.373
191 HE3 LYS 20 3HE LYS 20 6.610 -7.265 10.811
192 HZ1 LYS 20 3HZ LYS 20 7.859 -8.382 12.266
193 HZ2 LYS 20 1HZ LYS 20 9.017 -7.155 12.388
194 HZ3 LYS 20 2HZ LYS 20 9.094 -8.267 11.116
195 H PHE 21 H PHE 21 6.633 -8.228 4.314
196 HA PHE 21 HA PHE 21 5.959 -6.132 2.594
197 HB2 PHE 21 2HB PHE 21 8.677 -6.529 2.524
198 HB3 PHE 21 3HB PHE 21 8.122 -7.522 1.180
199 HD1 PHE 21 HD2 PHE 21 6.059 -6.154 -0.113
200 HD2 PHE 21 HD1 PHE 21 9.458 -4.495 1.840
201 HE1 PHE 21 HE2 PHE 21 5.885 -4.146 -1.524
202 HE2 PHE 21 HE1 PHE 21 9.289 -2.484 0.433
203 HZ PHE 21 HZ PHE 21 7.502 -2.308 -1.253
204 H TRP 22 H TRP 22 4.146 -7.091 1.931
205 HA TRP 22 HA TRP 22 4.383 -9.634 0.493
206 HB2 TRP 22 2HB TRP 22 2.644 -9.060 2.854
207 HB3 TRP 22 3HB TRP 22 2.020 -10.110 1.584
208 HD1 TRP 22 HD1 TRP 22 5.038 -9.909 4.003
209 HE1 TRP 22 HE1 TRP 22 5.813 -12.312 4.507
210 HE3 TRP 22 HE3 TRP 22 1.905 -12.449 0.861
211 HZ2 TRP 22 HZ2 TRP 22 5.181 -14.936 3.681
212 HZ3 TRP 22 HZ3 TRP 22 2.054 -14.904 0.777
213 HH2 TRP 22 HH2 TRP 22 3.659 -16.119 2.158
214 H CYS 23 H CYS 23 4.273 -8.174 -1.341
215 HA CYS 23 HA CYS 23 1.725 -8.045 -2.488
216 HB2 CYS 23 2HB CYS 23 1.270 -6.236 -0.938
217 HB3 CYS 23 3HB CYS 23 2.748 -5.408 -1.417
218 HA PRO 24 HA PRO 24 5.067 -7.880 -5.548
219 HB2 PRO 24 2HB PRO 24 3.656 -9.190 -7.463
220 HB3 PRO 24 3HB PRO 24 4.504 -10.023 -6.155
221 HG2 PRO 24 2HG PRO 24 1.600 -9.334 -6.393
222 HG3 PRO 24 3HG PRO 24 2.350 -10.837 -5.825
223 HD2 PRO 24 2HD PRO 24 1.377 -8.964 -4.129
224 HD3 PRO 24 3HD PRO 24 2.776 -9.981 -3.728
Start of MODEL 8
1 H1 THR 1 H THR 1 0.640 0.941 -0.368
2 HA THR 1 HA THR 1 0.588 -0.039 -3.149
3 HB THR 1 HB THR 1 2.327 1.786 -3.568
4 HG1 THR 1 HG1 THR 1 2.593 2.210 -1.248
5 HG21 THR 1 3HG2 THR 1 -0.295 3.013 -2.829
6 HG22 THR 1 1HG2 THR 1 -0.242 1.774 -4.082
7 HG23 THR 1 2HG2 THR 1 0.692 3.258 -4.269
8 H CYS 2 H CYS 2 2.404 -1.064 -3.948
9 HA CYS 2 HA CYS 2 4.680 -1.441 -2.145
10 HB2 CYS 2 2HB CYS 2 4.641 -3.913 -2.759
11 HB3 CYS 2 3HB CYS 2 3.409 -3.371 -1.625
12 H HIS 3 H HIS 3 6.253 -3.087 -3.479
13 HA HIS 3 HA HIS 3 6.571 -1.821 -6.120
14 HB2 HIS 3 2HB HIS 3 8.326 -1.369 -4.325
15 HB3 HIS 3 3HB HIS 3 8.790 -3.059 -4.495
16 HD1 HIS 3 HD1 HIS 3 10.164 -3.704 -6.537
17 HD2 HIS 3 HD2 HIS 3 8.931 0.263 -6.570
18 HE1 HIS 3 HE1 HIS 3 11.447 -2.617 -8.407
19 H ILE 4 H ILE 4 7.004 -3.079 -7.896
20 HA ILE 4 HA ILE 4 6.290 -5.873 -7.665
21 HB ILE 4 HB ILE 4 7.102 -4.391 -10.164
22 HG12 ILE 4 2HG1 ILE 4 5.250 -3.206 -9.095
23 HG13 ILE 4 3HG1 ILE 4 4.691 -4.033 -10.545
24 HG21 ILE 4 1HG2 ILE 4 5.189 -6.313 -10.751
25 HG22 ILE 4 2HG2 ILE 4 6.921 -6.418 -11.063
26 HG23 ILE 4 3HG2 ILE 4 6.251 -7.092 -9.578
27 HD11 ILE 4 3HD1 ILE 4 3.042 -4.779 -9.253
28 HD12 ILE 4 1HD1 ILE 4 4.239 -5.898 -8.602
29 HD13 ILE 4 2HD1 ILE 4 3.903 -4.382 -7.766
30 H ARG 5 H ARG 5 7.765 -7.353 -7.191
31 HA ARG 5 HA ARG 5 10.269 -7.421 -8.646
32 HB2 ARG 5 2HB ARG 5 11.570 -7.731 -6.491
33 HB3 ARG 5 3HB ARG 5 11.030 -6.094 -6.838
34 HG2 ARG 5 2HG ARG 5 9.077 -6.517 -5.326
35 HG3 ARG 5 3HG ARG 5 9.853 -8.034 -4.866
36 HD2 ARG 5 2HD ARG 5 11.785 -5.961 -4.682
37 HD3 ARG 5 3HD ARG 5 10.323 -5.418 -3.859
38 HE ARG 5 HE ARG 5 10.671 -7.013 -2.242
39 HH11 ARG 5 1HH1 ARG 5 12.764 -7.622 -4.956
40 HH12 ARG 5 2HH1 ARG 5 13.692 -8.833 -4.135
41 HH21 ARG 5 1HH2 ARG 5 11.885 -8.606 -1.151
42 HH22 ARG 5 2HH2 ARG 5 13.191 -9.393 -1.971
43 H ARG 6 H ARG 6 8.416 -8.859 -5.971
44 HA ARG 6 HA ARG 6 8.598 -11.458 -7.242
45 HB2 ARG 6 2HB ARG 6 9.866 -10.840 -4.583
46 HB3 ARG 6 3HB ARG 6 9.336 -12.466 -4.994
47 HG2 ARG 6 2HG ARG 6 11.340 -10.838 -6.544
48 HG3 ARG 6 3HG ARG 6 11.721 -12.139 -5.414
49 HD2 ARG 6 2HD ARG 6 10.147 -13.555 -6.915
50 HD3 ARG 6 3HD ARG 6 10.427 -12.286 -8.107
51 HE ARG 6 HE ARG 6 12.900 -13.137 -7.102
52 HH11 ARG 6 1HH1 ARG 6 10.272 -14.307 -9.062
53 HH12 ARG 6 2HH1 ARG 6 11.268 -15.378 -9.990
54 HH21 ARG 6 1HH2 ARG 6 14.223 -14.544 -8.317
55 HH22 ARG 6 2HH2 ARG 6 13.515 -15.513 -9.565
56 H LYS 7 H LYS 7 6.854 -12.712 -6.827
57 HA LYS 7 HA LYS 7 4.882 -11.641 -4.922
58 HB2 LYS 7 2HB LYS 7 3.297 -13.131 -6.351
59 HB3 LYS 7 3HB LYS 7 3.829 -11.581 -6.988
60 HG2 LYS 7 2HG LYS 7 3.943 -13.248 -8.716
61 HG3 LYS 7 3HG LYS 7 5.577 -12.741 -8.280
62 HD2 LYS 7 2HD LYS 7 6.103 -14.758 -7.359
63 HD3 LYS 7 3HD LYS 7 4.445 -15.079 -6.846
64 HE2 LYS 7 2HE LYS 7 3.848 -15.969 -8.866
65 HE3 LYS 7 3HE LYS 7 5.019 -15.002 -9.761
66 HZ1 LYS 7 3HZ LYS 7 6.579 -16.585 -8.216
67 HZ2 LYS 7 1HZ LYS 7 6.201 -16.873 -9.840
68 HZ3 LYS 7 2HZ LYS 7 5.303 -17.621 -8.617
69 HA PRO 8 HA PRO 8 5.006 -15.275 -2.465
70 HB2 PRO 8 2HB PRO 8 2.397 -15.584 -1.782
71 HB3 PRO 8 3HB PRO 8 3.416 -14.299 -1.124
72 HG2 PRO 8 2HG PRO 8 1.420 -14.181 -3.352
73 HG3 PRO 8 3HG PRO 8 1.696 -13.026 -2.035
74 HD2 PRO 8 2HD PRO 8 2.652 -12.636 -4.538
75 HD3 PRO 8 3HD PRO 8 3.504 -12.062 -3.090
76 H LYS 9 H LYS 9 5.163 -17.378 -2.919
77 HA LYS 9 HA LYS 9 3.088 -18.814 -4.291
78 HB2 LYS 9 2HB LYS 9 4.456 -19.555 -6.182
79 HB3 LYS 9 3HB LYS 9 4.234 -17.811 -6.207
80 HG2 LYS 9 2HG LYS 9 6.450 -17.865 -6.636
81 HG3 LYS 9 3HG LYS 9 6.537 -17.903 -4.873
82 HD2 LYS 9 2HD LYS 9 7.193 -20.082 -4.817
83 HD3 LYS 9 3HD LYS 9 6.287 -20.506 -6.271
84 HE2 LYS 9 2HE LYS 9 8.715 -18.746 -6.391
85 HE3 LYS 9 3HE LYS 9 8.853 -20.503 -6.395
86 HZ1 LYS 9 3HZ LYS 9 7.505 -20.594 -8.374
87 HZ2 LYS 9 1HZ LYS 9 8.818 -19.560 -8.638
88 HZ3 LYS 9 2HZ LYS 9 7.280 -18.917 -8.352
89 H PHE 10 H PHE 10 3.195 -20.998 -3.927
90 HA PHE 10 HA PHE 10 3.736 -22.884 -2.768
91 HB2 PHE 10 2HB PHE 10 5.572 -22.645 -4.608
92 HB3 PHE 10 3HB PHE 10 6.632 -22.267 -3.254
93 HD1 PHE 10 HD1 PHE 10 4.275 -24.842 -4.514
94 HD2 PHE 10 HD2 PHE 10 7.597 -23.969 -2.001
95 HE1 PHE 10 HE1 PHE 10 4.580 -27.246 -4.089
96 HE2 PHE 10 HE2 PHE 10 7.909 -26.372 -1.573
97 HZ PHE 10 HZ PHE 10 6.400 -28.014 -2.618
98 H ARG 11 H ARG 11 3.070 -21.368 -0.893
99 HA ARG 11 HA ARG 11 5.258 -21.388 1.076
100 HB2 ARG 11 2HB ARG 11 4.383 -19.352 2.075
101 HB3 ARG 11 3HB ARG 11 4.758 -19.077 0.379
102 HG2 ARG 11 2HG ARG 11 1.981 -19.811 1.198
103 HG3 ARG 11 3HG ARG 11 2.556 -18.151 1.372
104 HD2 ARG 11 2HD ARG 11 3.343 -18.573 -1.129
105 HD3 ARG 11 3HD ARG 11 2.020 -19.737 -1.080
106 HE ARG 11 HE ARG 11 1.326 -17.110 -0.120
107 HH11 ARG 11 1HH1 ARG 11 1.551 -19.201 -2.894
108 HH12 ARG 11 2HH1 ARG 11 0.381 -18.318 -3.818
109 HH21 ARG 11 1HH2 ARG 11 -0.215 -15.939 -1.326
110 HH22 ARG 11 2HH2 ARG 11 -0.622 -16.462 -2.925
111 H LYS 12 H LYS 12 4.731 -22.008 3.160
112 HA LYS 12 HA LYS 12 2.190 -23.436 3.403
113 HB2 LYS 12 2HB LYS 12 3.223 -24.554 5.323
114 HB3 LYS 12 3HB LYS 12 4.232 -24.693 3.888
115 HG2 LYS 12 2HG LYS 12 5.304 -22.489 4.959
116 HG3 LYS 12 3HG LYS 12 4.727 -23.277 6.429
117 HD2 LYS 12 2HD LYS 12 6.867 -24.139 6.205
118 HD3 LYS 12 3HD LYS 12 5.874 -25.387 5.448
119 HE2 LYS 12 2HE LYS 12 6.390 -24.505 3.251
120 HE3 LYS 12 3HE LYS 12 7.297 -23.174 3.970
121 HZ1 LYS 12 3HZ LYS 12 8.127 -25.858 3.438
122 HZ2 LYS 12 1HZ LYS 12 8.431 -25.409 5.041
123 HZ3 LYS 12 2HZ LYS 12 9.062 -24.488 3.770
124 H PHE 13 H PHE 13 4.096 -20.927 4.990
125 HA PHE 13 HA PHE 13 1.802 -20.356 6.742
126 HB2 PHE 13 2HB PHE 13 4.749 -19.797 7.068
127 HB3 PHE 13 3HB PHE 13 3.524 -19.042 8.083
128 HD1 PHE 13 HD2 PHE 13 1.649 -21.198 8.581
129 HD2 PHE 13 HD1 PHE 13 5.901 -21.283 8.399
130 HE1 PHE 13 HE2 PHE 13 1.670 -23.160 10.064
131 HE2 PHE 13 HE1 PHE 13 5.928 -23.246 9.881
132 HZ PHE 13 HZ PHE 13 3.811 -24.187 10.717
133 H LYS 14 H LYS 14 0.775 -18.451 6.600
134 HA LYS 14 HA LYS 14 1.572 -16.636 4.471
135 HB2 LYS 14 2HB LYS 14 -0.901 -16.886 6.174
136 HB3 LYS 14 3HB LYS 14 -0.640 -15.511 5.109
137 HG2 LYS 14 2HG LYS 14 -0.629 -18.368 4.171
138 HG3 LYS 14 3HG LYS 14 -2.058 -17.333 4.160
139 HD2 LYS 14 2HD LYS 14 0.398 -16.256 2.899
140 HD3 LYS 14 3HD LYS 14 -0.426 -17.571 2.057
141 HE2 LYS 14 2HE LYS 14 -2.039 -15.279 3.067
142 HE3 LYS 14 3HE LYS 14 -1.059 -15.050 1.619
143 HZ1 LYS 14 3HZ LYS 14 -2.256 -16.644 0.461
144 HZ2 LYS 14 1HZ LYS 14 -3.457 -15.844 1.343
145 HZ3 LYS 14 2HZ LYS 14 -2.891 -17.351 1.861
146 H LEU 15 H LEU 15 2.392 -14.643 4.750
147 HA LEU 15 HA LEU 15 3.456 -12.915 5.785
148 HB2 LEU 15 2HB LEU 15 0.914 -13.245 7.308
149 HB3 LEU 15 3HB LEU 15 2.112 -12.085 7.878
150 HG LEU 15 HG LEU 15 0.316 -11.077 6.498
151 HD11 LEU 15 1HD1 LEU 15 2.000 -10.017 4.814
152 HD12 LEU 15 2HD1 LEU 15 3.195 -10.936 5.728
153 HD13 LEU 15 3HD1 LEU 15 2.188 -9.742 6.546
154 HD21 LEU 15 3HD2 LEU 15 1.553 -12.713 4.286
155 HD22 LEU 15 1HD2 LEU 15 0.329 -11.460 4.082
156 HD23 LEU 15 2HD2 LEU 15 -0.059 -12.935 4.968
157 H TYR 16 H TYR 16 4.404 -15.491 6.489
158 HA TYR 16 HA TYR 16 4.729 -15.954 9.212
159 HB2 TYR 16 2HB TYR 16 6.937 -17.060 8.440
160 HB3 TYR 16 3HB TYR 16 5.420 -17.699 7.818
161 HD1 TYR 16 HD2 TYR 16 7.697 -14.885 6.857
162 HD2 TYR 16 HD1 TYR 16 5.581 -18.364 5.622
163 HE1 TYR 16 HE2 TYR 16 8.508 -14.555 4.559
164 HE2 TYR 16 HE1 TYR 16 6.388 -18.044 3.321
165 HH TYR 16 HH TYR 16 7.214 -15.860 1.947
166 H HIS 17 H HIS 17 7.183 -15.946 10.089
167 HA HIS 17 HA HIS 17 7.814 -13.128 10.370
168 HB2 HIS 17 2HB HIS 17 7.695 -14.562 12.369
169 HB3 HIS 17 3HB HIS 17 9.013 -15.546 11.739
170 HD1 HIS 17 HD1 HIS 17 9.149 -11.816 11.482
171 HD2 HIS 17 HD2 HIS 17 10.711 -14.854 13.846
172 HE1 HIS 17 HE1 HIS 17 10.955 -10.735 12.858
173 H GLU 18 H GLU 18 8.495 -13.150 8.018
174 HA GLU 18 HA GLU 18 11.386 -13.365 7.929
175 HB2 GLU 18 2HB GLU 18 9.867 -15.455 6.903
176 HB3 GLU 18 3HB GLU 18 10.268 -14.490 5.490
177 HG2 GLU 18 2HG GLU 18 12.537 -14.838 5.727
178 HG3 GLU 18 3HG GLU 18 12.401 -15.235 7.439
179 H GLY 19 H GLY 19 11.515 -11.162 7.669
180 HA2 GLY 19 2HA GLY 19 11.571 -9.178 6.516
181 HA3 GLY 19 3HA GLY 19 11.324 -10.131 5.060
182 H LYS 20 H LYS 20 9.933 -7.960 7.284
183 HA LYS 20 HA LYS 20 7.191 -8.478 6.845
184 HB2 LYS 20 2HB LYS 20 8.804 -6.281 7.994
185 HB3 LYS 20 3HB LYS 20 7.213 -5.828 7.399
186 HG2 LYS 20 2HG LYS 20 6.640 -6.363 9.518
187 HG3 LYS 20 3HG LYS 20 6.510 -7.972 8.805
188 HD2 LYS 20 2HD LYS 20 7.790 -8.410 10.669
189 HD3 LYS 20 3HD LYS 20 9.041 -8.137 9.453
190 HE2 LYS 20 2HE LYS 20 9.679 -6.921 11.391
191 HE3 LYS 20 3HE LYS 20 9.109 -5.743 10.209
192 HZ1 LYS 20 3HZ LYS 20 7.117 -6.773 12.060
193 HZ2 LYS 20 1HZ LYS 20 7.336 -5.204 11.466
194 HZ3 LYS 20 2HZ LYS 20 8.304 -5.772 12.731
195 H PHE 21 H PHE 21 6.814 -8.769 4.650
196 HA PHE 21 HA PHE 21 6.073 -6.508 3.177
197 HB2 PHE 21 2HB PHE 21 8.764 -6.706 3.071
198 HB3 PHE 21 3HB PHE 21 8.334 -7.736 1.709
199 HD1 PHE 21 HD2 PHE 21 6.806 -6.763 -0.079
200 HD2 PHE 21 HD1 PHE 21 8.779 -4.391 2.854
201 HE1 PHE 21 HE2 PHE 21 6.502 -4.770 -1.490
202 HE2 PHE 21 HE1 PHE 21 8.477 -2.395 1.448
203 HZ PHE 21 HZ PHE 21 7.338 -2.583 -0.727
204 H TRP 22 H TRP 22 4.284 -7.423 2.401
205 HA TRP 22 HA TRP 22 4.577 -9.840 0.758
206 HB2 TRP 22 2HB TRP 22 2.720 -9.395 3.058
207 HB3 TRP 22 3HB TRP 22 2.161 -10.358 1.693
208 HD1 TRP 22 HD1 TRP 22 5.212 -10.321 4.101
209 HE1 TRP 22 HE1 TRP 22 5.876 -12.764 4.564
210 HE3 TRP 22 HE3 TRP 22 1.832 -12.671 1.069
211 HZ2 TRP 22 HZ2 TRP 22 5.074 -15.346 3.752
212 HZ3 TRP 22 HZ3 TRP 22 1.847 -15.129 0.969
213 HH2 TRP 22 HH2 TRP 22 3.436 -16.437 2.283
214 H CYS 23 H CYS 23 4.578 -8.256 -0.975
215 HA CYS 23 HA CYS 23 2.071 -7.995 -2.211
216 HB2 CYS 23 2HB CYS 23 1.765 -6.232 -0.485
217 HB3 CYS 23 3HB CYS 23 3.170 -5.391 -1.133
218 HA PRO 24 HA PRO 24 5.511 -7.822 -5.156
219 HB2 PRO 24 2HB PRO 24 4.103 -8.951 -7.184
220 HB3 PRO 24 3HB PRO 24 4.865 -9.897 -5.900
221 HG2 PRO 24 2HG PRO 24 2.008 -9.049 -6.187
222 HG3 PRO 24 3HG PRO 24 2.664 -10.618 -5.683
223 HD2 PRO 24 2HD PRO 24 1.728 -8.793 -3.915
224 HD3 PRO 24 3HD PRO 24 3.061 -9.901 -3.529
Start of MODEL 9
1 H1 THR 1 H THR 1 0.441 1.355 -2.671
2 HA THR 1 HA THR 1 2.677 0.937 -2.119
3 HB THR 1 HB THR 1 1.469 1.386 -0.033
4 HG1 THR 1 HG1 THR 1 3.754 0.766 -0.038
5 HG21 THR 1 3HG2 THR 1 -0.079 -0.097 0.605
6 HG22 THR 1 1HG2 THR 1 1.253 -1.073 1.222
7 HG23 THR 1 2HG2 THR 1 0.618 -1.370 -0.396
8 H CYS 2 H CYS 2 2.034 -0.998 -3.982
9 HA CYS 2 HA CYS 2 3.270 -3.419 -2.842
10 HB2 CYS 2 2HB CYS 2 1.498 -3.333 -5.286
11 HB3 CYS 2 3HB CYS 2 2.064 -4.757 -4.420
12 H HIS 3 H HIS 3 5.204 -1.931 -3.367
13 HA HIS 3 HA HIS 3 5.968 -2.136 -6.191
14 HB2 HIS 3 2HB HIS 3 6.863 -0.417 -3.910
15 HB3 HIS 3 3HB HIS 3 7.968 -0.707 -5.251
16 HD1 HIS 3 HD1 HIS 3 6.891 -0.063 -7.695
17 HD2 HIS 3 HD2 HIS 3 5.153 1.642 -4.329
18 HE1 HIS 3 HE1 HIS 3 5.584 1.912 -8.540
19 H ILE 4 H ILE 4 6.513 -4.316 -6.297
20 HA ILE 4 HA ILE 4 9.170 -4.977 -5.660
21 HB ILE 4 HB ILE 4 8.296 -5.167 -3.367
22 HG12 ILE 4 2HG1 ILE 4 9.098 -7.470 -2.927
23 HG13 ILE 4 3HG1 ILE 4 9.015 -7.812 -4.652
24 HG21 ILE 4 1HG2 ILE 4 6.451 -6.324 -2.778
25 HG22 ILE 4 2HG2 ILE 4 6.009 -6.062 -4.464
26 HG23 ILE 4 3HG2 ILE 4 6.734 -7.592 -3.970
27 HD11 ILE 4 3HD1 ILE 4 11.274 -7.166 -3.542
28 HD12 ILE 4 1HD1 ILE 4 10.852 -6.525 -5.129
29 HD13 ILE 4 2HD1 ILE 4 10.658 -5.521 -3.692
30 H ARG 5 H ARG 5 9.844 -6.755 -6.782
31 HA ARG 5 HA ARG 5 7.986 -7.857 -8.688
32 HB2 ARG 5 2HB ARG 5 9.961 -9.021 -9.595
33 HB3 ARG 5 3HB ARG 5 10.237 -7.294 -9.408
34 HG2 ARG 5 2HG ARG 5 11.434 -7.752 -7.295
35 HG3 ARG 5 3HG ARG 5 11.228 -9.479 -7.590
36 HD2 ARG 5 2HD ARG 5 12.343 -8.955 -9.876
37 HD3 ARG 5 3HD ARG 5 12.900 -7.489 -9.070
38 HE ARG 5 HE ARG 5 13.896 -10.135 -8.694
39 HH11 ARG 5 1HH1 ARG 5 13.354 -7.089 -7.097
40 HH12 ARG 5 2HH1 ARG 5 14.617 -7.325 -5.935
41 HH21 ARG 5 1HH2 ARG 5 15.562 -10.457 -7.169
42 HH22 ARG 5 2HH2 ARG 5 15.873 -9.241 -5.977
43 H ARG 6 H ARG 6 9.838 -9.038 -5.917
44 HA ARG 6 HA ARG 6 9.334 -11.755 -6.132
45 HB2 ARG 6 2HB ARG 6 10.879 -10.769 -4.490
46 HB3 ARG 6 3HB ARG 6 9.513 -10.110 -3.601
47 HG2 ARG 6 2HG ARG 6 9.847 -11.976 -2.371
48 HG3 ARG 6 3HG ARG 6 8.784 -12.665 -3.599
49 HD2 ARG 6 2HD ARG 6 10.975 -13.157 -4.880
50 HD3 ARG 6 3HD ARG 6 11.757 -12.906 -3.320
51 HE ARG 6 HE ARG 6 9.586 -14.743 -3.137
52 HH11 ARG 6 1HH1 ARG 6 12.918 -14.436 -4.097
53 HH12 ARG 6 2HH1 ARG 6 13.284 -16.109 -3.832
54 HH21 ARG 6 1HH2 ARG 6 10.056 -16.947 -2.785
55 HH22 ARG 6 2HH2 ARG 6 11.655 -17.536 -3.087
56 H LYS 7 H LYS 7 7.349 -12.494 -6.624
57 HA LYS 7 HA LYS 7 5.080 -11.584 -4.985
58 HB2 LYS 7 2HB LYS 7 3.641 -12.420 -6.791
59 HB3 LYS 7 3HB LYS 7 4.784 -11.221 -7.381
60 HG2 LYS 7 2HG LYS 7 4.948 -12.787 -9.028
61 HG3 LYS 7 3HG LYS 7 6.225 -13.345 -7.944
62 HD2 LYS 7 2HD LYS 7 5.039 -15.178 -7.269
63 HD3 LYS 7 3HD LYS 7 3.477 -14.391 -7.509
64 HE2 LYS 7 2HE LYS 7 3.705 -16.105 -9.161
65 HE3 LYS 7 3HE LYS 7 3.859 -14.545 -9.968
66 HZ1 LYS 7 3HZ LYS 7 5.952 -14.980 -10.565
67 HZ2 LYS 7 1HZ LYS 7 5.583 -16.598 -10.233
68 HZ3 LYS 7 2HZ LYS 7 6.362 -15.652 -9.068
69 HA PRO 8 HA PRO 8 4.685 -15.514 -3.068
70 HB2 PRO 8 2HB PRO 8 1.993 -15.681 -2.764
71 HB3 PRO 8 3HB PRO 8 3.003 -14.594 -1.803
72 HG2 PRO 8 2HG PRO 8 1.338 -13.993 -4.217
73 HG3 PRO 8 3HG PRO 8 1.515 -13.060 -2.719
74 HD2 PRO 8 2HD PRO 8 2.824 -12.416 -5.000
75 HD3 PRO 8 3HD PRO 8 3.512 -12.125 -3.389
76 H LYS 9 H LYS 9 4.518 -17.618 -3.637
77 HA LYS 9 HA LYS 9 2.899 -18.308 -5.992
78 HB2 LYS 9 2HB LYS 9 5.403 -18.039 -6.473
79 HB3 LYS 9 3HB LYS 9 5.626 -19.493 -5.509
80 HG2 LYS 9 2HG LYS 9 3.675 -19.525 -7.761
81 HG3 LYS 9 3HG LYS 9 5.403 -19.639 -8.103
82 HD2 LYS 9 2HD LYS 9 5.296 -21.471 -6.200
83 HD3 LYS 9 3HD LYS 9 3.606 -21.555 -6.702
84 HE2 LYS 9 2HE LYS 9 4.757 -23.176 -7.981
85 HE3 LYS 9 3HE LYS 9 4.451 -21.820 -9.066
86 HZ1 LYS 9 3HZ LYS 9 6.826 -22.975 -8.804
87 HZ2 LYS 9 1HZ LYS 9 6.979 -21.761 -7.635
88 HZ3 LYS 9 2HZ LYS 9 6.632 -21.352 -9.239
89 H PHE 10 H PHE 10 5.057 -20.014 -3.721
90 HA PHE 10 HA PHE 10 2.790 -21.522 -2.688
91 HB2 PHE 10 2HB PHE 10 3.514 -22.861 -4.598
92 HB3 PHE 10 3HB PHE 10 5.170 -22.850 -4.001
93 HD1 PHE 10 HD2 PHE 10 1.946 -23.439 -2.235
94 HD2 PHE 10 HD1 PHE 10 5.703 -25.024 -3.453
95 HE1 PHE 10 HE2 PHE 10 1.492 -25.489 -0.953
96 HE2 PHE 10 HE1 PHE 10 5.255 -27.078 -2.174
97 HZ PHE 10 HZ PHE 10 3.148 -27.312 -0.921
98 H ARG 11 H ARG 11 3.022 -21.014 -0.596
99 HA ARG 11 HA ARG 11 5.466 -21.856 0.749
100 HB2 ARG 11 2HB ARG 11 5.436 -19.697 2.091
101 HB3 ARG 11 3HB ARG 11 6.011 -19.578 0.434
102 HG2 ARG 11 2HG ARG 11 3.135 -19.061 0.975
103 HG3 ARG 11 3HG ARG 11 4.320 -17.833 1.426
104 HD2 ARG 11 2HD ARG 11 4.982 -18.732 -1.171
105 HD3 ARG 11 3HD ARG 11 3.244 -18.435 -1.148
106 HE ARG 11 HE ARG 11 3.652 -16.182 -0.882
107 HH11 ARG 11 1HH1 ARG 11 6.606 -17.984 -0.494
108 HH12 ARG 11 2HH1 ARG 11 7.620 -16.580 -0.530
109 HH21 ARG 11 1HH2 ARG 11 4.977 -14.326 -0.931
110 HH22 ARG 11 2HH2 ARG 11 6.693 -14.500 -0.778
111 H LYS 12 H LYS 12 4.919 -23.067 2.428
112 HA LYS 12 HA LYS 12 2.350 -23.594 3.273
113 HB2 LYS 12 2HB LYS 12 5.050 -23.989 4.464
114 HB3 LYS 12 3HB LYS 12 3.658 -24.210 5.515
115 HG2 LYS 12 2HG LYS 12 4.005 -26.340 4.727
116 HG3 LYS 12 3HG LYS 12 2.785 -25.736 3.604
117 HD2 LYS 12 2HD LYS 12 4.407 -25.346 1.916
118 HD3 LYS 12 3HD LYS 12 5.740 -25.587 3.047
119 HE2 LYS 12 2HE LYS 12 5.096 -27.939 3.291
120 HE3 LYS 12 3HE LYS 12 3.774 -27.693 2.151
121 HZ1 LYS 12 3HZ LYS 12 5.441 -27.085 0.469
122 HZ2 LYS 12 1HZ LYS 12 5.640 -28.669 1.028
123 HZ3 LYS 12 2HZ LYS 12 6.675 -27.445 1.568
124 H PHE 13 H PHE 13 4.724 -21.591 5.035
125 HA PHE 13 HA PHE 13 2.575 -20.439 6.622
126 HB2 PHE 13 2HB PHE 13 5.561 -19.960 6.740
127 HB3 PHE 13 3HB PHE 13 4.377 -19.368 7.901
128 HD1 PHE 13 HD1 PHE 13 2.756 -21.413 8.733
129 HD2 PHE 13 HD2 PHE 13 6.807 -21.729 7.466
130 HE1 PHE 13 HE1 PHE 13 3.000 -23.485 10.039
131 HE2 PHE 13 HE2 PHE 13 7.057 -23.801 8.769
132 HZ PHE 13 HZ PHE 13 5.152 -24.682 10.057
133 H LYS 14 H LYS 14 1.613 -18.584 6.145
134 HA LYS 14 HA LYS 14 2.835 -16.851 4.113
135 HB2 LYS 14 2HB LYS 14 0.046 -17.525 4.864
136 HB3 LYS 14 3HB LYS 14 0.338 -15.868 4.350
137 HG2 LYS 14 2HG LYS 14 1.266 -18.206 2.719
138 HG3 LYS 14 3HG LYS 14 -0.371 -17.559 2.578
139 HD2 LYS 14 2HD LYS 14 1.040 -15.279 2.388
140 HD3 LYS 14 3HD LYS 14 2.211 -16.412 1.709
141 HE2 LYS 14 2HE LYS 14 0.987 -16.757 -0.149
142 HE3 LYS 14 3HE LYS 14 -0.540 -16.737 0.731
143 HZ1 LYS 14 3HZ LYS 14 0.923 -14.529 -0.503
144 HZ2 LYS 14 1HZ LYS 14 0.065 -14.196 0.916
145 HZ3 LYS 14 2HZ LYS 14 -0.742 -14.817 -0.434
146 H LEU 15 H LEU 15 2.971 -14.612 4.418
147 HA LEU 15 HA LEU 15 3.494 -12.740 5.603
148 HB2 LEU 15 2HB LEU 15 0.989 -13.734 6.876
149 HB3 LEU 15 3HB LEU 15 1.833 -12.367 7.600
150 HG LEU 15 HG LEU 15 -0.017 -11.686 6.122
151 HD11 LEU 15 1HD1 LEU 15 1.825 -10.449 4.477
152 HD12 LEU 15 2HD1 LEU 15 2.745 -10.823 5.934
153 HD13 LEU 15 3HD1 LEU 15 1.266 -9.870 6.046
154 HD21 LEU 15 3HD2 LEU 15 1.541 -12.431 3.712
155 HD22 LEU 15 1HD2 LEU 15 -0.201 -12.269 3.933
156 HD23 LEU 15 2HD2 LEU 15 0.632 -13.708 4.521
157 H TYR 16 H TYR 16 4.748 -15.292 6.384
158 HA TYR 16 HA TYR 16 5.007 -15.633 9.121
159 HB2 TYR 16 2HB TYR 16 7.391 -16.429 8.487
160 HB3 TYR 16 3HB TYR 16 6.010 -17.293 7.821
161 HD1 TYR 16 HD1 TYR 16 7.910 -14.209 6.870
162 HD2 TYR 16 HD2 TYR 16 6.362 -17.982 5.656
163 HE1 TYR 16 HE1 TYR 16 8.774 -13.826 4.600
164 HE2 TYR 16 HE2 TYR 16 7.223 -17.610 3.382
165 HH TYR 16 HH TYR 16 9.463 -15.715 2.550
166 H HIS 17 H HIS 17 7.254 -15.232 10.243
167 HA HIS 17 HA HIS 17 7.514 -12.364 10.447
168 HB2 HIS 17 2HB HIS 17 8.410 -14.718 12.022
169 HB3 HIS 17 3HB HIS 17 9.385 -13.257 12.152
170 HD1 HIS 17 HD1 HIS 17 5.694 -12.943 11.725
171 HD2 HIS 17 HD2 HIS 17 8.500 -12.840 14.787
172 HE1 HIS 17 HE1 HIS 17 4.475 -12.025 13.724
173 H GLU 18 H GLU 18 8.328 -12.302 8.144
174 HA GLU 18 HA GLU 18 11.222 -12.117 8.219
175 HB2 GLU 18 2HB GLU 18 10.107 -14.410 7.166
176 HB3 GLU 18 3HB GLU 18 10.347 -13.406 5.743
177 HG2 GLU 18 2HG GLU 18 12.731 -13.064 6.824
178 HG3 GLU 18 3HG GLU 18 12.342 -14.609 7.578
179 H GLY 19 H GLY 19 10.997 -9.904 7.985
180 HA2 GLY 19 2HA GLY 19 10.922 -7.949 6.778
181 HA3 GLY 19 3HA GLY 19 10.783 -8.932 5.328
182 H LYS 20 H LYS 20 9.353 -6.478 6.692
183 HA LYS 20 HA LYS 20 6.595 -7.398 6.572
184 HB2 LYS 20 2HB LYS 20 7.985 -4.945 7.516
185 HB3 LYS 20 3HB LYS 20 6.326 -4.765 6.962
186 HG2 LYS 20 2HG LYS 20 6.312 -5.095 9.327
187 HG3 LYS 20 3HG LYS 20 5.654 -6.541 8.557
188 HD2 LYS 20 2HD LYS 20 7.145 -7.228 10.306
189 HD3 LYS 20 3HD LYS 20 7.906 -7.590 8.755
190 HE2 LYS 20 2HE LYS 20 9.502 -6.616 10.330
191 HE3 LYS 20 3HE LYS 20 9.256 -5.570 8.933
192 HZ1 LYS 20 3HZ LYS 20 9.272 -4.493 11.220
193 HZ2 LYS 20 1HZ LYS 20 7.741 -5.179 11.440
194 HZ3 LYS 20 2HZ LYS 20 8.001 -4.077 10.184
195 H PHE 21 H PHE 21 6.278 -7.875 4.403
196 HA PHE 21 HA PHE 21 5.375 -5.813 2.754
197 HB2 PHE 21 2HB PHE 21 8.112 -5.831 2.719
198 HB3 PHE 21 3HB PHE 21 7.732 -6.865 1.345
199 HD1 PHE 21 HD2 PHE 21 5.350 -5.674 0.225
200 HD2 PHE 21 HD1 PHE 21 8.787 -3.795 1.889
201 HE1 PHE 21 HE2 PHE 21 4.925 -3.682 -1.154
202 HE2 PHE 21 HE1 PHE 21 8.367 -1.799 0.513
203 HZ PHE 21 HZ PHE 21 6.434 -1.741 -1.012
204 H TRP 22 H TRP 22 3.712 -6.956 2.001
205 HA TRP 22 HA TRP 22 4.293 -9.408 0.501
206 HB2 TRP 22 2HB TRP 22 2.354 -9.085 2.764
207 HB3 TRP 22 3HB TRP 22 1.996 -10.221 1.465
208 HD1 TRP 22 HD1 TRP 22 4.612 -9.596 4.227
209 HE1 TRP 22 HE1 TRP 22 5.760 -11.835 4.770
210 HE3 TRP 22 HE3 TRP 22 2.492 -12.498 0.591
211 HZ2 TRP 22 HZ2 TRP 22 5.765 -14.481 3.787
212 HZ3 TRP 22 HZ3 TRP 22 3.122 -14.873 0.461
213 HH2 TRP 22 HH2 TRP 22 4.726 -15.842 2.026
214 H CYS 23 H CYS 23 4.094 -7.914 -1.300
215 HA CYS 23 HA CYS 23 1.586 -8.034 -2.543
216 HB2 CYS 23 2HB CYS 23 1.344 -6.146 -0.727
217 HB3 CYS 23 3HB CYS 23 2.218 -5.178 -1.909
218 HA PRO 24 HA PRO 24 4.989 -7.478 -5.485
219 HB2 PRO 24 2HB PRO 24 3.767 -8.861 -7.476
220 HB3 PRO 24 3HB PRO 24 4.646 -9.647 -6.159
221 HG2 PRO 24 2HG PRO 24 1.700 -9.220 -6.482
222 HG3 PRO 24 3HG PRO 24 2.567 -10.662 -5.922
223 HD2 PRO 24 2HD PRO 24 1.371 -8.930 -4.219
224 HD3 PRO 24 3HD PRO 24 2.843 -9.825 -3.793
Start of MODEL 10
1 H1 THR 1 H THR 1 -0.125 0.156 -0.452
2 HA THR 1 HA THR 1 1.134 0.812 -3.034
3 HB THR 1 HB THR 1 2.638 2.305 -1.798
4 HG1 THR 1 HG1 THR 1 2.812 1.777 0.257
5 HG21 THR 1 3HG2 THR 1 0.047 2.802 -2.459
6 HG22 THR 1 1HG2 THR 1 1.176 4.021 -1.869
7 HG23 THR 1 2HG2 THR 1 0.055 3.243 -0.752
8 H CYS 2 H CYS 2 2.549 -0.652 -3.701
9 HA CYS 2 HA CYS 2 4.604 -1.634 -1.941
10 HB2 CYS 2 2HB CYS 2 4.125 -4.015 -2.280
11 HB3 CYS 2 3HB CYS 2 2.800 -3.217 -1.438
12 H HIS 3 H HIS 3 6.393 -2.410 -3.041
13 HA HIS 3 HA HIS 3 6.220 -2.565 -5.965
14 HB2 HIS 3 2HB HIS 3 7.028 -0.273 -5.084
15 HB3 HIS 3 3HB HIS 3 8.506 -1.122 -4.643
16 HD1 HIS 3 HD1 HIS 3 6.417 -1.300 -7.823
17 HD2 HIS 3 HD2 HIS 3 10.290 -0.479 -6.565
18 HE1 HIS 3 HE1 HIS 3 7.740 -0.919 -9.927
19 H ILE 4 H ILE 4 6.470 -4.798 -5.849
20 HA ILE 4 HA ILE 4 9.206 -5.669 -5.290
21 HB ILE 4 HB ILE 4 6.767 -7.105 -4.235
22 HG12 ILE 4 2HG1 ILE 4 7.421 -5.108 -2.924
23 HG13 ILE 4 3HG1 ILE 4 7.657 -6.603 -2.026
24 HG21 ILE 4 1HG2 ILE 4 9.635 -7.875 -4.490
25 HG22 ILE 4 2HG2 ILE 4 8.707 -8.454 -3.107
26 HG23 ILE 4 3HG2 ILE 4 8.181 -8.841 -4.745
27 HD11 ILE 4 3HD1 ILE 4 10.050 -5.932 -3.446
28 HD12 ILE 4 1HD1 ILE 4 9.510 -4.562 -2.476
29 HD13 ILE 4 2HD1 ILE 4 9.791 -6.127 -1.713
30 H ARG 5 H ARG 5 9.935 -7.327 -6.581
31 HA ARG 5 HA ARG 5 8.272 -7.917 -8.903
32 HB2 ARG 5 2HB ARG 5 10.384 -8.847 -9.853
33 HB3 ARG 5 3HB ARG 5 10.495 -7.151 -9.402
34 HG2 ARG 5 2HG ARG 5 11.992 -7.542 -7.750
35 HG3 ARG 5 3HG ARG 5 11.321 -9.129 -7.367
36 HD2 ARG 5 2HD ARG 5 13.529 -9.380 -8.319
37 HD3 ARG 5 3HD ARG 5 12.321 -10.023 -9.431
38 HE ARG 5 HE ARG 5 12.776 -7.380 -10.152
39 HH11 ARG 5 1HH1 ARG 5 14.552 -10.370 -9.989
40 HH12 ARG 5 2HH1 ARG 5 15.617 -9.960 -11.293
41 HH21 ARG 5 1HH2 ARG 5 14.171 -6.829 -11.870
42 HH22 ARG 5 2HH2 ARG 5 15.399 -7.945 -12.362
43 H ARG 6 H ARG 6 9.570 -9.444 -6.079
44 HA ARG 6 HA ARG 6 9.105 -12.131 -7.048
45 HB2 ARG 6 2HB ARG 6 10.292 -10.897 -4.634
46 HB3 ARG 6 3HB ARG 6 9.515 -12.456 -4.397
47 HG2 ARG 6 2HG ARG 6 11.789 -12.900 -4.820
48 HG3 ARG 6 3HG ARG 6 10.922 -13.319 -6.298
49 HD2 ARG 6 2HD ARG 6 12.948 -12.104 -6.836
50 HD3 ARG 6 3HD ARG 6 11.533 -11.139 -7.254
51 HE ARG 6 HE ARG 6 12.142 -9.601 -5.660
52 HH11 ARG 6 1HH1 ARG 6 14.010 -12.510 -5.251
53 HH12 ARG 6 2HH1 ARG 6 15.092 -11.808 -4.094
54 HH21 ARG 6 1HH2 ARG 6 13.559 -8.665 -4.138
55 HH22 ARG 6 2HH2 ARG 6 14.834 -9.621 -3.462
56 H LYS 7 H LYS 7 7.049 -12.744 -7.270
57 HA LYS 7 HA LYS 7 5.085 -11.916 -5.253
58 HB2 LYS 7 2HB LYS 7 3.386 -12.611 -6.882
59 HB3 LYS 7 3HB LYS 7 4.491 -11.428 -7.572
60 HG2 LYS 7 2HG LYS 7 4.361 -12.924 -9.288
61 HG3 LYS 7 3HG LYS 7 5.753 -13.569 -8.414
62 HD2 LYS 7 2HD LYS 7 4.630 -15.415 -7.718
63 HD3 LYS 7 3HD LYS 7 3.091 -14.559 -7.583
64 HE2 LYS 7 2HE LYS 7 4.351 -15.190 -10.238
65 HE3 LYS 7 3HE LYS 7 3.291 -16.329 -9.409
66 HZ1 LYS 7 3HZ LYS 7 1.577 -15.253 -10.273
67 HZ2 LYS 7 1HZ LYS 7 2.592 -14.098 -10.979
68 HZ3 LYS 7 2HZ LYS 7 2.007 -13.864 -9.409
69 HA PRO 8 HA PRO 8 4.792 -15.918 -3.473
70 HB2 PRO 8 2HB PRO 8 2.159 -16.009 -2.817
71 HB3 PRO 8 3HB PRO 8 3.330 -15.005 -1.954
72 HG2 PRO 8 2HG PRO 8 1.385 -14.232 -4.094
73 HG3 PRO 8 3HG PRO 8 1.795 -13.379 -2.595
74 HD2 PRO 8 2HD PRO 8 2.815 -12.669 -5.001
75 HD3 PRO 8 3HD PRO 8 3.721 -12.479 -3.486
76 H LYS 9 H LYS 9 4.680 -17.908 -4.300
77 HA LYS 9 HA LYS 9 2.606 -18.499 -6.301
78 HB2 LYS 9 2HB LYS 9 4.264 -19.856 -7.544
79 HB3 LYS 9 3HB LYS 9 4.668 -18.144 -7.517
80 HG2 LYS 9 2HG LYS 9 6.708 -18.880 -6.964
81 HG3 LYS 9 3HG LYS 9 6.023 -19.017 -5.344
82 HD2 LYS 9 2HD LYS 9 5.287 -21.390 -6.222
83 HD3 LYS 9 3HD LYS 9 6.627 -21.142 -7.344
84 HE2 LYS 9 2HE LYS 9 6.830 -20.932 -4.342
85 HE3 LYS 9 3HE LYS 9 7.278 -22.354 -5.282
86 HZ1 LYS 9 3HZ LYS 9 8.618 -19.754 -5.095
87 HZ2 LYS 9 1HZ LYS 9 8.740 -20.618 -6.545
88 HZ3 LYS 9 2HZ LYS 9 9.282 -21.310 -5.100
89 H PHE 10 H PHE 10 4.879 -19.754 -3.910
90 HA PHE 10 HA PHE 10 2.972 -21.717 -3.046
91 HB2 PHE 10 2HB PHE 10 4.256 -22.687 -5.094
92 HB3 PHE 10 3HB PHE 10 5.595 -22.855 -3.963
93 HD1 PHE 10 HD2 PHE 10 4.980 -24.053 -1.702
94 HD2 PHE 10 HD1 PHE 10 2.782 -24.431 -5.327
95 HE1 PHE 10 HE2 PHE 10 4.039 -26.182 -0.906
96 HE2 PHE 10 HE1 PHE 10 1.837 -26.560 -4.536
97 HZ PHE 10 HZ PHE 10 2.466 -27.439 -2.324
98 H ARG 11 H ARG 11 3.088 -21.375 -0.929
99 HA ARG 11 HA ARG 11 5.651 -21.690 0.414
100 HB2 ARG 11 2HB ARG 11 5.266 -19.651 1.796
101 HB3 ARG 11 3HB ARG 11 5.596 -19.305 0.104
102 HG2 ARG 11 2HG ARG 11 2.755 -19.567 0.864
103 HG3 ARG 11 3HG ARG 11 3.618 -18.155 1.478
104 HD2 ARG 11 2HD ARG 11 4.264 -17.533 -0.771
105 HD3 ARG 11 3HD ARG 11 3.515 -18.993 -1.417
106 HE ARG 11 HE ARG 11 2.188 -16.562 -0.620
107 HH11 ARG 11 1HH1 ARG 11 1.844 -19.973 -1.226
108 HH12 ARG 11 2HH1 ARG 11 0.141 -19.879 -1.532
109 HH21 ARG 11 1HH2 ARG 11 -0.053 -16.426 -1.020
110 HH22 ARG 11 2HH2 ARG 11 -0.937 -17.861 -1.415
111 H LYS 12 H LYS 12 5.477 -22.658 2.370
112 HA LYS 12 HA LYS 12 3.153 -24.024 3.069
113 HB2 LYS 12 2HB LYS 12 5.625 -23.323 4.643
114 HB3 LYS 12 3HB LYS 12 4.326 -24.289 5.331
115 HG2 LYS 12 2HG LYS 12 4.616 -25.911 3.482
116 HG3 LYS 12 3HG LYS 12 5.999 -24.969 2.922
117 HD2 LYS 12 2HD LYS 12 7.194 -25.396 4.954
118 HD3 LYS 12 3HD LYS 12 5.776 -26.147 5.689
119 HE2 LYS 12 2HE LYS 12 7.127 -27.944 5.025
120 HE3 LYS 12 3HE LYS 12 5.887 -27.830 3.776
121 HZ1 LYS 12 3HZ LYS 12 8.554 -26.566 3.511
122 HZ2 LYS 12 1HZ LYS 12 7.399 -26.816 2.300
123 HZ3 LYS 12 2HZ LYS 12 8.224 -28.133 2.966
124 H PHE 13 H PHE 13 4.625 -21.587 5.201
125 HA PHE 13 HA PHE 13 2.027 -20.972 6.313
126 HB2 PHE 13 2HB PHE 13 4.854 -20.262 6.978
127 HB3 PHE 13 3HB PHE 13 3.556 -19.251 7.607
128 HD1 PHE 13 HD2 PHE 13 4.540 -22.837 7.358
129 HD2 PHE 13 HD1 PHE 13 2.604 -19.800 9.626
130 HE1 PHE 13 HE2 PHE 13 4.193 -24.436 9.196
131 HE2 PHE 13 HE1 PHE 13 2.254 -21.393 11.468
132 HZ PHE 13 HZ PHE 13 3.048 -23.715 11.254
133 H LYS 14 H LYS 14 1.837 -18.440 6.845
134 HA LYS 14 HA LYS 14 2.385 -16.894 4.417
135 HB2 LYS 14 2HB LYS 14 -0.316 -17.394 5.646
136 HB3 LYS 14 3HB LYS 14 -0.004 -15.957 4.680
137 HG2 LYS 14 2HG LYS 14 0.603 -18.684 3.608
138 HG3 LYS 14 3HG LYS 14 -1.033 -18.022 3.545
139 HD2 LYS 14 2HD LYS 14 1.276 -16.404 2.546
140 HD3 LYS 14 3HD LYS 14 0.585 -17.673 1.533
141 HE2 LYS 14 2HE LYS 14 -0.715 -15.934 0.855
142 HE3 LYS 14 3HE LYS 14 -1.675 -16.469 2.233
143 HZ1 LYS 14 3HZ LYS 14 -1.215 -14.613 3.373
144 HZ2 LYS 14 1HZ LYS 14 -0.825 -13.956 1.864
145 HZ3 LYS 14 2HZ LYS 14 0.398 -14.556 2.867
146 H LEU 15 H LEU 15 2.676 -14.711 4.740
147 HA LEU 15 HA LEU 15 3.352 -12.864 5.889
148 HB2 LEU 15 2HB LEU 15 0.848 -13.710 7.284
149 HB3 LEU 15 3HB LEU 15 1.773 -12.339 7.894
150 HG LEU 15 HG LEU 15 -0.073 -11.599 6.494
151 HD11 LEU 15 1HD1 LEU 15 1.770 -10.760 4.567
152 HD12 LEU 15 2HD1 LEU 15 2.698 -10.984 6.050
153 HD13 LEU 15 3HD1 LEU 15 1.296 -9.915 6.040
154 HD21 LEU 15 3HD2 LEU 15 1.265 -13.137 4.271
155 HD22 LEU 15 1HD2 LEU 15 -0.173 -12.125 4.133
156 HD23 LEU 15 2HD2 LEU 15 -0.228 -13.611 5.082
157 H TYR 16 H TYR 16 4.589 -15.380 6.629
158 HA TYR 16 HA TYR 16 4.871 -15.750 9.373
159 HB2 TYR 16 2HB TYR 16 7.199 -16.641 8.703
160 HB3 TYR 16 3HB TYR 16 5.783 -17.437 8.027
161 HD1 TYR 16 HD1 TYR 16 7.882 -14.465 7.141
162 HD2 TYR 16 HD2 TYR 16 6.027 -18.062 5.829
163 HE1 TYR 16 HE1 TYR 16 8.759 -14.083 4.875
164 HE2 TYR 16 HE2 TYR 16 6.900 -17.691 3.559
165 HH TYR 16 HH TYR 16 7.939 -14.886 2.426
166 H HIS 17 H HIS 17 7.299 -15.466 10.302
167 HA HIS 17 HA HIS 17 7.631 -12.580 10.491
168 HB2 HIS 17 2HB HIS 17 8.384 -14.922 12.157
169 HB3 HIS 17 3HB HIS 17 9.435 -13.511 12.245
170 HD1 HIS 17 HD1 HIS 17 5.982 -14.675 13.093
171 HD2 HIS 17 HD2 HIS 17 8.342 -11.284 13.530
172 HE1 HIS 17 HE1 HIS 17 4.746 -13.200 14.711
173 H GLU 18 H GLU 18 8.460 -12.656 8.192
174 HA GLU 18 HA GLU 18 11.360 -12.629 8.284
175 HB2 GLU 18 2HB GLU 18 10.076 -14.881 7.273
176 HB3 GLU 18 3HB GLU 18 10.497 -13.951 5.842
177 HG2 GLU 18 2HG GLU 18 12.270 -15.475 6.301
178 HG3 GLU 18 3HG GLU 18 12.834 -13.844 6.660
179 H GLY 19 H GLY 19 11.336 -10.440 7.917
180 HA2 GLY 19 2HA GLY 19 11.305 -8.513 6.671
181 HA3 GLY 19 3HA GLY 19 11.218 -9.549 5.253
182 H LYS 20 H LYS 20 9.532 -7.403 7.292
183 HA LYS 20 HA LYS 20 6.871 -8.157 6.726
184 HB2 LYS 20 2HB LYS 20 8.021 -6.340 8.382
185 HB3 LYS 20 3HB LYS 20 7.413 -5.280 7.117
186 HG2 LYS 20 2HG LYS 20 5.243 -5.669 7.639
187 HG3 LYS 20 3HG LYS 20 5.550 -7.325 8.168
188 HD2 LYS 20 2HD LYS 20 5.100 -6.308 10.179
189 HD3 LYS 20 3HD LYS 20 6.855 -6.129 10.107
190 HE2 LYS 20 2HE LYS 20 4.976 -4.016 9.087
191 HE3 LYS 20 3HE LYS 20 5.504 -4.074 10.768
192 HZ1 LYS 20 3HZ LYS 20 7.006 -2.648 9.754
193 HZ2 LYS 20 1HZ LYS 20 7.119 -3.582 8.348
194 HZ3 LYS 20 2HZ LYS 20 7.844 -4.118 9.778
195 H PHE 21 H PHE 21 6.642 -8.571 4.532
196 HA PHE 21 HA PHE 21 5.893 -6.382 2.915
197 HB2 PHE 21 2HB PHE 21 8.599 -6.660 2.900
198 HB3 PHE 21 3HB PHE 21 8.154 -7.704 1.554
199 HD1 PHE 21 HD2 PHE 21 5.961 -6.388 0.279
200 HD2 PHE 21 HD1 PHE 21 9.420 -4.683 2.079
201 HE1 PHE 21 HE2 PHE 21 5.743 -4.417 -1.177
202 HE2 PHE 21 HE1 PHE 21 9.207 -2.708 0.627
203 HZ PHE 21 HZ PHE 21 7.368 -2.574 -1.005
204 H TRP 22 H TRP 22 4.091 -7.383 2.250
205 HA TRP 22 HA TRP 22 4.413 -9.848 0.688
206 HB2 TRP 22 2HB TRP 22 2.539 -9.362 2.977
207 HB3 TRP 22 3HB TRP 22 2.062 -10.446 1.673
208 HD1 TRP 22 HD1 TRP 22 4.784 -10.090 4.387
209 HE1 TRP 22 HE1 TRP 22 5.706 -12.435 4.911
210 HE3 TRP 22 HE3 TRP 22 2.286 -12.762 0.814
211 HZ2 TRP 22 HZ2 TRP 22 5.413 -15.069 3.939
212 HZ3 TRP 22 HZ3 TRP 22 2.664 -15.189 0.678
213 HH2 TRP 22 HH2 TRP 22 4.196 -16.317 2.208
214 H CYS 23 H CYS 23 4.340 -8.319 -1.094
215 HA CYS 23 HA CYS 23 1.824 -8.178 -2.311
216 HB2 CYS 23 2HB CYS 23 1.360 -6.421 -0.667
217 HB3 CYS 23 3HB CYS 23 2.794 -5.542 -1.187
218 HA PRO 24 HA PRO 24 5.242 -7.878 -5.272
219 HB2 PRO 24 2HB PRO 24 3.889 -9.115 -7.274
220 HB3 PRO 24 3HB PRO 24 4.704 -9.997 -5.977
221 HG2 PRO 24 2HG PRO 24 1.805 -9.306 -6.267
222 HG3 PRO 24 3HG PRO 24 2.545 -10.829 -5.739
223 HD2 PRO 24 2HD PRO 24 1.519 -9.026 -3.998
224 HD3 PRO 24 3HD PRO 24 2.910 -10.054 -3.599
Start of MODEL 11
1 H1 THR 1 H THR 1 1.381 2.613 -0.313
2 HA THR 1 HA THR 1 0.983 1.290 -2.903
3 HB THR 1 HB THR 1 2.054 3.479 -3.030
4 HG1 THR 1 HG1 THR 1 3.600 2.809 -4.411
5 HG21 THR 1 3HG2 THR 1 4.620 2.811 -1.912
6 HG22 THR 1 1HG2 THR 1 3.363 2.659 -0.685
7 HG23 THR 1 2HG2 THR 1 3.569 4.181 -1.552
8 H CYS 2 H CYS 2 2.069 -0.545 -3.471
9 HA CYS 2 HA CYS 2 4.020 -1.664 -1.599
10 HB2 CYS 2 2HB CYS 2 2.909 -3.850 -1.612
11 HB3 CYS 2 3HB CYS 2 1.854 -2.612 -0.937
12 H HIS 3 H HIS 3 5.651 -2.739 -2.570
13 HA HIS 3 HA HIS 3 5.352 -3.620 -5.338
14 HB2 HIS 3 2HB HIS 3 6.285 -1.216 -5.185
15 HB3 HIS 3 3HB HIS 3 7.750 -1.974 -4.569
16 HD1 HIS 3 HD1 HIS 3 5.485 -2.363 -7.608
17 HD2 HIS 3 HD2 HIS 3 9.492 -2.588 -6.536
18 HE1 HIS 3 HE1 HIS 3 6.728 -2.816 -9.746
19 H ILE 4 H ILE 4 7.283 -4.894 -6.063
20 HA ILE 4 HA ILE 4 9.186 -5.883 -4.241
21 HB ILE 4 HB ILE 4 7.120 -6.908 -3.249
22 HG12 ILE 4 2HG1 ILE 4 8.116 -9.176 -3.046
23 HG13 ILE 4 3HG1 ILE 4 9.215 -8.786 -4.365
24 HG21 ILE 4 1HG2 ILE 4 6.168 -7.310 -5.626
25 HG22 ILE 4 2HG2 ILE 4 7.104 -8.803 -5.561
26 HG23 ILE 4 3HG2 ILE 4 5.851 -8.494 -4.359
27 HD11 ILE 4 3HD1 ILE 4 10.133 -8.594 -2.023
28 HD12 ILE 4 1HD1 ILE 4 10.360 -7.195 -3.072
29 HD13 ILE 4 2HD1 ILE 4 9.100 -7.177 -1.837
30 H ARG 5 H ARG 5 10.651 -7.292 -5.207
31 HA ARG 5 HA ARG 5 11.030 -7.116 -7.930
32 HB2 ARG 5 2HB ARG 5 12.562 -9.098 -7.649
33 HB3 ARG 5 3HB ARG 5 12.860 -7.759 -6.549
34 HG2 ARG 5 2HG ARG 5 11.598 -8.963 -4.800
35 HG3 ARG 5 3HG ARG 5 11.425 -10.326 -5.908
36 HD2 ARG 5 2HD ARG 5 14.012 -9.178 -4.866
37 HD3 ARG 5 3HD ARG 5 13.272 -10.701 -4.374
38 HE ARG 5 HE ARG 5 13.754 -10.583 -7.187
39 HH11 ARG 5 1HH1 ARG 5 15.236 -11.198 -4.098
40 HH12 ARG 5 2HH1 ARG 5 16.473 -12.222 -4.749
41 HH21 ARG 5 1HH2 ARG 5 15.378 -11.929 -8.056
42 HH22 ARG 5 2HH2 ARG 5 16.554 -12.636 -7.001
43 H ARG 6 H ARG 6 9.380 -9.651 -6.099
44 HA ARG 6 HA ARG 6 7.923 -10.430 -8.474
45 HB2 ARG 6 2HB ARG 6 8.525 -12.796 -8.334
46 HB3 ARG 6 3HB ARG 6 9.942 -11.806 -8.651
47 HG2 ARG 6 2HG ARG 6 10.799 -12.125 -6.515
48 HG3 ARG 6 3HG ARG 6 9.238 -12.623 -5.861
49 HD2 ARG 6 2HD ARG 6 9.374 -14.651 -7.326
50 HD3 ARG 6 3HD ARG 6 11.022 -14.172 -7.730
51 HE ARG 6 HE ARG 6 10.750 -14.278 -4.936
52 HH11 ARG 6 1HH1 ARG 6 10.849 -16.380 -7.709
53 HH12 ARG 6 2HH1 ARG 6 11.495 -17.726 -6.829
54 HH21 ARG 6 1HH2 ARG 6 11.601 -16.043 -3.766
55 HH22 ARG 6 2HH2 ARG 6 11.921 -17.533 -4.587
56 H LYS 7 H LYS 7 5.971 -11.394 -8.021
57 HA LYS 7 HA LYS 7 4.834 -10.934 -5.497
58 HB2 LYS 7 2HB LYS 7 2.852 -11.788 -6.377
59 HB3 LYS 7 3HB LYS 7 3.698 -11.206 -7.805
60 HG2 LYS 7 2HG LYS 7 3.615 -14.066 -6.865
61 HG3 LYS 7 3HG LYS 7 2.659 -13.383 -8.182
62 HD2 LYS 7 2HD LYS 7 4.898 -12.709 -9.218
63 HD3 LYS 7 3HD LYS 7 5.631 -13.806 -8.046
64 HE2 LYS 7 2HE LYS 7 4.036 -15.574 -8.928
65 HE3 LYS 7 3HE LYS 7 3.688 -14.458 -10.248
66 HZ1 LYS 7 3HZ LYS 7 5.950 -16.156 -9.862
67 HZ2 LYS 7 1HZ LYS 7 6.416 -14.553 -10.134
68 HZ3 LYS 7 2HZ LYS 7 5.436 -15.350 -11.258
69 HA PRO 8 HA PRO 8 5.826 -14.480 -3.107
70 HB2 PRO 8 2HB PRO 8 3.562 -14.779 -1.639
71 HB3 PRO 8 3HB PRO 8 4.718 -13.471 -1.365
72 HG2 PRO 8 2HG PRO 8 2.128 -13.427 -2.865
73 HG3 PRO 8 3HG PRO 8 2.784 -12.232 -1.731
74 HD2 PRO 8 2HD PRO 8 2.911 -11.913 -4.416
75 HD3 PRO 8 3HD PRO 8 4.163 -11.293 -3.321
76 H LYS 9 H LYS 9 5.861 -16.596 -3.529
77 HA LYS 9 HA LYS 9 3.466 -18.054 -4.197
78 HB2 LYS 9 2HB LYS 9 5.362 -17.195 -6.265
79 HB3 LYS 9 3HB LYS 9 5.042 -18.924 -6.273
80 HG2 LYS 9 2HG LYS 9 2.909 -16.802 -6.350
81 HG3 LYS 9 3HG LYS 9 3.564 -17.619 -7.771
82 HD2 LYS 9 2HD LYS 9 2.248 -19.026 -5.450
83 HD3 LYS 9 3HD LYS 9 1.423 -18.587 -6.948
84 HE2 LYS 9 2HE LYS 9 3.438 -19.889 -8.038
85 HE3 LYS 9 3HE LYS 9 3.505 -20.660 -6.454
86 HZ1 LYS 9 3HZ LYS 9 1.995 -22.028 -7.358
87 HZ2 LYS 9 1HZ LYS 9 1.535 -20.928 -8.558
88 HZ3 LYS 9 2HZ LYS 9 0.892 -20.797 -6.999
89 H PHE 10 H PHE 10 3.781 -20.352 -4.195
90 HA PHE 10 HA PHE 10 4.588 -22.245 -3.216
91 HB2 PHE 10 2HB PHE 10 6.293 -21.572 -5.173
92 HB3 PHE 10 3HB PHE 10 7.399 -21.482 -3.806
93 HD1 PHE 10 HD1 PHE 10 6.479 -23.655 -2.096
94 HD2 PHE 10 HD2 PHE 10 6.863 -23.485 -6.332
95 HE1 PHE 10 HE1 PHE 10 6.765 -26.098 -2.165
96 HE2 PHE 10 HE2 PHE 10 7.147 -25.928 -6.408
97 HZ PHE 10 HZ PHE 10 7.098 -27.238 -4.323
98 H ARG 11 H ARG 11 4.082 -20.409 -1.326
99 HA ARG 11 HA ARG 11 6.422 -20.465 0.460
100 HB2 ARG 11 2HB ARG 11 5.192 -18.666 1.725
101 HB3 ARG 11 3HB ARG 11 5.731 -18.211 0.114
102 HG2 ARG 11 2HG ARG 11 3.044 -19.315 0.123
103 HG3 ARG 11 3HG ARG 11 3.202 -17.880 1.138
104 HD2 ARG 11 2HD ARG 11 4.229 -16.688 -0.762
105 HD3 ARG 11 3HD ARG 11 3.982 -18.115 -1.766
106 HE ARG 11 HE ARG 11 1.998 -16.187 -0.965
107 HH11 ARG 11 1HH1 ARG 11 2.573 -19.431 -2.092
108 HH12 ARG 11 2HH1 ARG 11 0.987 -19.619 -2.763
109 HH21 ARG 11 1HH2 ARG 11 -0.094 -16.423 -1.844
110 HH22 ARG 11 2HH2 ARG 11 -0.529 -17.907 -2.621
111 H LYS 12 H LYS 12 6.341 -22.110 1.835
112 HA LYS 12 HA LYS 12 4.169 -23.701 2.438
113 HB2 LYS 12 2HB LYS 12 5.456 -24.422 4.436
114 HB3 LYS 12 3HB LYS 12 6.416 -24.406 2.963
115 HG2 LYS 12 2HG LYS 12 7.026 -21.980 3.810
116 HG3 LYS 12 3HG LYS 12 6.600 -22.684 5.372
117 HD2 LYS 12 2HD LYS 12 8.433 -24.173 3.545
118 HD3 LYS 12 3HD LYS 12 9.061 -22.812 4.479
119 HE2 LYS 12 2HE LYS 12 7.478 -24.990 5.797
120 HE3 LYS 12 3HE LYS 12 9.201 -25.189 5.481
121 HZ1 LYS 12 3HZ LYS 12 8.629 -24.297 7.725
122 HZ2 LYS 12 1HZ LYS 12 8.080 -22.885 6.972
123 HZ3 LYS 12 2HZ LYS 12 9.705 -23.336 6.842
124 H PHE 13 H PHE 13 5.287 -20.778 4.072
125 HA PHE 13 HA PHE 13 2.802 -20.804 5.655
126 HB2 PHE 13 2HB PHE 13 5.592 -19.985 6.382
127 HB3 PHE 13 3HB PHE 13 4.223 -19.226 7.189
128 HD1 PHE 13 HD1 PHE 13 2.342 -21.220 7.744
129 HD2 PHE 13 HD2 PHE 13 6.582 -21.578 7.685
130 HE1 PHE 13 HE1 PHE 13 2.198 -23.125 9.295
131 HE2 PHE 13 HE2 PHE 13 6.446 -23.484 9.235
132 HZ PHE 13 HZ PHE 13 4.252 -24.260 10.042
133 H LYS 14 H LYS 14 1.581 -18.962 5.736
134 HA LYS 14 HA LYS 14 2.230 -16.926 3.743
135 HB2 LYS 14 2HB LYS 14 -0.293 -17.730 5.163
136 HB3 LYS 14 3HB LYS 14 -0.183 -16.184 4.332
137 HG2 LYS 14 2HG LYS 14 0.420 -18.795 2.977
138 HG3 LYS 14 3HG LYS 14 -1.199 -18.095 3.034
139 HD2 LYS 14 2HD LYS 14 1.140 -16.497 2.050
140 HD3 LYS 14 3HD LYS 14 0.289 -17.614 0.980
141 HE2 LYS 14 2HE LYS 14 -1.133 -15.491 2.565
142 HE3 LYS 14 3HE LYS 14 -0.476 -15.188 0.958
143 HZ1 LYS 14 3HZ LYS 14 -1.894 -17.482 0.643
144 HZ2 LYS 14 1HZ LYS 14 -2.426 -15.931 0.225
145 HZ3 LYS 14 2HZ LYS 14 -2.854 -16.597 1.719
146 H LEU 15 H LEU 15 2.610 -14.821 4.213
147 HA LEU 15 HA LEU 15 3.305 -13.034 5.442
148 HB2 LEU 15 2HB LEU 15 0.816 -13.956 6.803
149 HB3 LEU 15 3HB LEU 15 1.761 -12.656 7.528
150 HG LEU 15 HG LEU 15 -0.134 -11.853 6.158
151 HD11 LEU 15 1HD1 LEU 15 1.382 -10.171 6.304
152 HD12 LEU 15 2HD1 LEU 15 1.475 -10.456 4.567
153 HD13 LEU 15 3HD1 LEU 15 2.695 -11.143 5.639
154 HD21 LEU 15 3HD2 LEU 15 1.421 -13.002 3.843
155 HD22 LEU 15 1HD2 LEU 15 -0.059 -12.048 3.745
156 HD23 LEU 15 2HD2 LEU 15 -0.091 -13.651 4.479
157 H TYR 16 H TYR 16 4.646 -15.495 5.988
158 HA TYR 16 HA TYR 16 4.967 -16.110 8.678
159 HB2 TYR 16 2HB TYR 16 7.346 -16.780 7.930
160 HB3 TYR 16 3HB TYR 16 5.979 -17.595 7.177
161 HD1 TYR 16 HD2 TYR 16 7.881 -14.423 6.588
162 HD2 TYR 16 HD1 TYR 16 6.254 -17.987 4.930
163 HE1 TYR 16 HE2 TYR 16 8.718 -13.766 4.371
164 HE2 TYR 16 HE1 TYR 16 7.087 -17.341 2.708
165 HH TYR 16 HH TYR 16 7.680 -15.009 1.571
166 H HIS 17 H HIS 17 7.325 -15.763 9.692
167 HA HIS 17 HA HIS 17 7.488 -12.902 10.164
168 HB2 HIS 17 2HB HIS 17 8.410 -15.353 11.567
169 HB3 HIS 17 3HB HIS 17 9.365 -13.893 11.805
170 HD1 HIS 17 HD1 HIS 17 7.843 -11.740 12.611
171 HD2 HIS 17 HD2 HIS 17 6.288 -15.541 13.235
172 HE1 HIS 17 HE1 HIS 17 6.056 -11.456 14.357
173 H GLU 18 H GLU 18 8.302 -12.685 7.863
174 HA GLU 18 HA GLU 18 11.191 -12.453 7.959
175 HB2 GLU 18 2HB GLU 18 10.073 -14.686 6.729
176 HB3 GLU 18 3HB GLU 18 10.417 -13.590 5.398
177 HG2 GLU 18 2HG GLU 18 12.299 -15.020 5.714
178 HG3 GLU 18 3HG GLU 18 12.743 -13.392 6.224
179 H GLY 19 H GLY 19 10.971 -10.242 7.824
180 HA2 GLY 19 2HA GLY 19 10.863 -8.227 6.723
181 HA3 GLY 19 3HA GLY 19 10.710 -9.134 5.226
182 H LYS 20 H LYS 20 9.240 -6.864 7.006
183 HA LYS 20 HA LYS 20 6.508 -7.766 6.794
184 HB2 LYS 20 2HB LYS 20 7.899 -5.350 7.828
185 HB3 LYS 20 3HB LYS 20 6.225 -5.158 7.324
186 HG2 LYS 20 2HG LYS 20 5.616 -7.030 8.841
187 HG3 LYS 20 3HG LYS 20 7.284 -7.042 9.418
188 HD2 LYS 20 2HD LYS 20 6.992 -4.631 10.036
189 HD3 LYS 20 3HD LYS 20 5.279 -4.801 9.645
190 HE2 LYS 20 2HE LYS 20 5.487 -5.090 11.993
191 HE3 LYS 20 3HE LYS 20 5.193 -6.686 11.304
192 HZ1 LYS 20 3HZ LYS 20 7.019 -7.363 12.331
193 HZ2 LYS 20 1HZ LYS 20 7.391 -5.794 12.844
194 HZ3 LYS 20 2HZ LYS 20 7.938 -6.344 11.341
195 H PHE 21 H PHE 21 6.139 -8.135 4.612
196 HA PHE 21 HA PHE 21 5.197 -5.975 3.097
197 HB2 PHE 21 2HB PHE 21 7.913 -6.014 2.959
198 HB3 PHE 21 3HB PHE 21 7.501 -7.042 1.591
199 HD1 PHE 21 HD2 PHE 21 5.290 -5.954 0.301
200 HD2 PHE 21 HD1 PHE 21 8.382 -3.865 2.348
201 HE1 PHE 21 HE2 PHE 21 4.839 -3.957 -1.062
202 HE2 PHE 21 HE1 PHE 21 7.935 -1.864 0.988
203 HZ PHE 21 HZ PHE 21 6.162 -1.908 -0.721
204 H TRP 22 H TRP 22 3.476 -7.051 2.373
205 HA TRP 22 HA TRP 22 3.932 -9.419 0.710
206 HB2 TRP 22 2HB TRP 22 2.210 -9.252 3.148
207 HB3 TRP 22 3HB TRP 22 1.676 -10.254 1.801
208 HD1 TRP 22 HD1 TRP 22 4.658 -9.935 4.239
209 HE1 TRP 22 HE1 TRP 22 5.736 -12.258 4.492
210 HE3 TRP 22 HE3 TRP 22 1.885 -12.494 0.790
211 HZ2 TRP 22 HZ2 TRP 22 5.449 -14.835 3.376
212 HZ3 TRP 22 HZ3 TRP 22 2.350 -14.885 0.443
213 HH2 TRP 22 HH2 TRP 22 4.096 -16.029 1.709
214 H CYS 23 H CYS 23 3.607 -7.824 -0.978
215 HA CYS 23 HA CYS 23 1.025 -7.866 -2.050
216 HB2 CYS 23 2HB CYS 23 0.412 -6.270 -0.340
217 HB3 CYS 23 3HB CYS 23 1.792 -5.253 -0.738
218 HA PRO 24 HA PRO 24 4.220 -7.059 -5.161
219 HB2 PRO 24 2HB PRO 24 2.880 -8.312 -7.162
220 HB3 PRO 24 3HB PRO 24 3.850 -9.179 -5.965
221 HG2 PRO 24 2HG PRO 24 0.887 -8.767 -6.062
222 HG3 PRO 24 3HG PRO 24 1.800 -10.235 -5.666
223 HD2 PRO 24 2HD PRO 24 0.706 -8.644 -3.768
224 HD3 PRO 24 3HD PRO 24 2.211 -9.548 -3.505
Start of MODEL 12
1 H1 THR 1 H THR 1 0.207 0.676 -4.621
2 HA THR 1 HA THR 1 0.441 1.347 -1.836
3 HB THR 1 HB THR 1 -0.373 -1.289 -3.073
4 HG1 THR 1 HG1 THR 1 -2.521 -0.434 -2.656
5 HG21 THR 1 3HG2 THR 1 -0.274 -0.236 -0.309
6 HG22 THR 1 1HG2 THR 1 -0.123 -1.891 -0.896
7 HG23 THR 1 2HG2 THR 1 -1.716 -1.148 -0.755
8 H CYS 2 H CYS 2 1.843 -1.171 -3.930
9 HA CYS 2 HA CYS 2 4.098 -1.349 -2.047
10 HB2 CYS 2 2HB CYS 2 4.201 -3.814 -2.681
11 HB3 CYS 2 3HB CYS 2 2.879 -3.335 -1.622
12 H HIS 3 H HIS 3 6.084 -2.212 -3.026
13 HA HIS 3 HA HIS 3 6.232 -1.985 -5.936
14 HB2 HIS 3 2HB HIS 3 6.773 0.242 -4.678
15 HB3 HIS 3 3HB HIS 3 8.293 -0.557 -4.290
16 HD1 HIS 3 HD1 HIS 3 10.030 -0.722 -6.126
17 HD2 HIS 3 HD2 HIS 3 6.387 0.764 -7.459
18 HE1 HIS 3 HE1 HIS 3 10.459 0.115 -8.458
19 H ILE 4 H ILE 4 6.737 -4.132 -6.153
20 HA ILE 4 HA ILE 4 9.425 -4.897 -5.866
21 HB ILE 4 HB ILE 4 8.878 -5.071 -3.483
22 HG12 ILE 4 2HG1 ILE 4 9.512 -7.491 -3.189
23 HG13 ILE 4 3HG1 ILE 4 9.307 -7.693 -4.925
24 HG21 ILE 4 1HG2 ILE 4 7.133 -6.280 -2.612
25 HG22 ILE 4 2HG2 ILE 4 6.412 -5.699 -4.112
26 HG23 ILE 4 3HG2 ILE 4 7.030 -7.347 -4.012
27 HD11 ILE 4 3HD1 ILE 4 11.350 -6.945 -5.296
28 HD12 ILE 4 1HD1 ILE 4 11.020 -5.462 -4.402
29 HD13 ILE 4 2HD1 ILE 4 11.604 -6.893 -3.552
30 H ARG 5 H ARG 5 9.862 -6.581 -7.184
31 HA ARG 5 HA ARG 5 7.690 -7.677 -8.729
32 HB2 ARG 5 2HB ARG 5 9.472 -8.781 -10.026
33 HB3 ARG 5 3HB ARG 5 9.757 -7.055 -9.848
34 HG2 ARG 5 2HG ARG 5 11.343 -7.538 -8.020
35 HG3 ARG 5 3HG ARG 5 11.100 -9.263 -8.304
36 HD2 ARG 5 2HD ARG 5 12.229 -7.250 -10.244
37 HD3 ARG 5 3HD ARG 5 13.114 -8.531 -9.419
38 HE ARG 5 HE ARG 5 10.994 -9.638 -10.915
39 HH11 ARG 5 1HH1 ARG 5 14.112 -8.141 -11.315
40 HH12 ARG 5 2HH1 ARG 5 14.457 -8.956 -12.804
41 HH21 ARG 5 1HH2 ARG 5 11.437 -10.717 -12.875
42 HH22 ARG 5 2HH2 ARG 5 12.934 -10.420 -13.692
43 H ARG 6 H ARG 6 10.037 -8.868 -6.372
44 HA ARG 6 HA ARG 6 9.570 -11.591 -6.553
45 HB2 ARG 6 2HB ARG 6 11.359 -10.680 -5.186
46 HB3 ARG 6 3HB ARG 6 10.191 -9.932 -4.105
47 HG2 ARG 6 2HG ARG 6 11.022 -11.883 -3.037
48 HG3 ARG 6 3HG ARG 6 9.364 -12.218 -3.541
49 HD2 ARG 6 2HD ARG 6 10.348 -13.272 -5.618
50 HD3 ARG 6 3HD ARG 6 11.919 -13.154 -4.826
51 HE ARG 6 HE ARG 6 9.925 -14.478 -3.237
52 HH11 ARG 6 1HH1 ARG 6 12.332 -14.875 -5.720
53 HH12 ARG 6 2HH1 ARG 6 12.567 -16.563 -5.405
54 HH21 ARG 6 1HH2 ARG 6 10.225 -16.699 -2.812
55 HH22 ARG 6 2HH2 ARG 6 11.367 -17.599 -3.751
56 H LYS 7 H LYS 7 7.552 -12.385 -6.711
57 HA LYS 7 HA LYS 7 5.522 -11.495 -4.791
58 HB2 LYS 7 2HB LYS 7 3.903 -12.593 -6.272
59 HB3 LYS 7 3HB LYS 7 4.874 -11.414 -7.145
60 HG2 LYS 7 2HG LYS 7 4.898 -13.149 -8.624
61 HG3 LYS 7 3HG LYS 7 6.354 -13.510 -7.693
62 HD2 LYS 7 2HD LYS 7 5.438 -15.343 -6.718
63 HD3 LYS 7 3HD LYS 7 3.818 -14.644 -6.676
64 HE2 LYS 7 2HE LYS 7 5.164 -15.601 -9.196
65 HE3 LYS 7 3HE LYS 7 4.098 -16.607 -8.216
66 HZ1 LYS 7 3HZ LYS 7 3.356 -14.059 -9.550
67 HZ2 LYS 7 1HZ LYS 7 2.331 -14.976 -8.564
68 HZ3 LYS 7 2HZ LYS 7 2.885 -15.612 -10.030
69 HA PRO 8 HA PRO 8 5.663 -15.206 -2.448
70 HB2 PRO 8 2HB PRO 8 3.057 -15.475 -1.736
71 HB3 PRO 8 3HB PRO 8 4.118 -14.239 -1.049
72 HG2 PRO 8 2HG PRO 8 2.094 -13.993 -3.241
73 HG3 PRO 8 3HG PRO 8 2.417 -12.893 -1.887
74 HD2 PRO 8 2HD PRO 8 3.347 -12.437 -4.389
75 HD3 PRO 8 3HD PRO 8 4.234 -11.936 -2.935
76 H LYS 9 H LYS 9 5.761 -17.295 -2.979
77 HA LYS 9 HA LYS 9 3.640 -18.683 -4.281
78 HB2 LYS 9 2HB LYS 9 4.912 -19.316 -6.318
79 HB3 LYS 9 3HB LYS 9 4.495 -17.608 -6.266
80 HG2 LYS 9 2HG LYS 9 6.658 -17.437 -6.924
81 HG3 LYS 9 3HG LYS 9 6.900 -17.430 -5.176
82 HD2 LYS 9 2HD LYS 9 7.790 -19.531 -5.154
83 HD3 LYS 9 3HD LYS 9 6.843 -20.064 -6.545
84 HE2 LYS 9 2HE LYS 9 9.173 -18.153 -6.677
85 HE3 LYS 9 3HE LYS 9 9.272 -19.882 -7.012
86 HZ1 LYS 9 3HZ LYS 9 7.378 -19.328 -8.683
87 HZ2 LYS 9 1HZ LYS 9 8.989 -19.025 -9.100
88 HZ3 LYS 9 2HZ LYS 9 7.996 -17.757 -8.585
89 H PHE 10 H PHE 10 3.883 -20.911 -4.177
90 HA PHE 10 HA PHE 10 4.604 -22.873 -3.279
91 HB2 PHE 10 2HB PHE 10 6.436 -22.252 -5.047
92 HB3 PHE 10 3HB PHE 10 7.445 -21.984 -3.629
93 HD1 PHE 10 HD1 PHE 10 5.000 -24.561 -4.787
94 HD2 PHE 10 HD2 PHE 10 8.809 -23.732 -3.079
95 HE1 PHE 10 HE1 PHE 10 5.472 -26.974 -4.675
96 HE2 PHE 10 HE2 PHE 10 9.287 -26.142 -2.965
97 HZ PHE 10 HZ PHE 10 7.618 -27.767 -3.764
98 H ARG 11 H ARG 11 4.082 -20.794 -1.442
99 HA ARG 11 HA ARG 11 6.077 -21.338 0.657
100 HB2 ARG 11 2HB ARG 11 5.004 -19.219 1.707
101 HB3 ARG 11 3HB ARG 11 6.155 -19.033 0.391
102 HG2 ARG 11 2HG ARG 11 4.325 -17.554 0.008
103 HG3 ARG 11 3HG ARG 11 4.240 -18.855 -1.181
104 HD2 ARG 11 2HD ARG 11 2.376 -19.794 -0.222
105 HD3 ARG 11 3HD ARG 11 2.746 -19.151 1.377
106 HE ARG 11 HE ARG 11 1.608 -17.228 0.841
107 HH11 ARG 11 1HH1 ARG 11 2.123 -19.124 -2.033
108 HH12 ARG 11 2HH1 ARG 11 1.077 -18.155 -3.017
109 HH21 ARG 11 1HH2 ARG 11 0.229 -15.945 -0.444
110 HH22 ARG 11 2HH2 ARG 11 0.001 -16.346 -2.113
111 H LYS 12 H LYS 12 5.287 -21.613 2.823
112 HA LYS 12 HA LYS 12 2.630 -22.860 2.868
113 HB2 LYS 12 2HB LYS 12 4.983 -23.137 4.746
114 HB3 LYS 12 3HB LYS 12 3.430 -23.928 4.976
115 HG2 LYS 12 2HG LYS 12 4.957 -24.328 2.440
116 HG3 LYS 12 3HG LYS 12 5.382 -25.234 3.894
117 HD2 LYS 12 2HD LYS 12 2.553 -25.128 2.900
118 HD3 LYS 12 3HD LYS 12 3.712 -26.284 2.237
119 HE2 LYS 12 2HE LYS 12 4.139 -27.090 4.548
120 HE3 LYS 12 3HE LYS 12 2.862 -26.017 5.118
121 HZ1 LYS 12 3HZ LYS 12 1.268 -27.376 4.358
122 HZ2 LYS 12 1HZ LYS 12 2.476 -28.561 4.394
123 HZ3 LYS 12 2HZ LYS 12 2.108 -27.771 2.944
124 H PHE 13 H PHE 13 4.582 -21.339 5.422
125 HA PHE 13 HA PHE 13 2.331 -20.329 6.793
126 HB2 PHE 13 2HB PHE 13 5.271 -19.665 6.973
127 HB3 PHE 13 3HB PHE 13 4.063 -18.960 8.042
128 HD1 PHE 13 HD2 PHE 13 5.475 -22.204 6.925
129 HD2 PHE 13 HD1 PHE 13 3.385 -20.080 9.964
130 HE1 PHE 13 HE2 PHE 13 5.656 -24.157 8.409
131 HE2 PHE 13 HE1 PHE 13 3.564 -22.029 11.454
132 HZ PHE 13 HZ PHE 13 4.700 -24.072 10.677
133 H LYS 14 H LYS 14 1.239 -18.465 6.633
134 HA LYS 14 HA LYS 14 1.976 -16.641 4.477
135 HB2 LYS 14 2HB LYS 14 -0.539 -17.032 6.089
136 HB3 LYS 14 3HB LYS 14 -0.321 -15.650 5.023
137 HG2 LYS 14 2HG LYS 14 -0.078 -18.498 4.092
138 HG3 LYS 14 3HG LYS 14 -1.590 -17.587 4.056
139 HD2 LYS 14 2HD LYS 14 0.820 -16.347 2.834
140 HD3 LYS 14 3HD LYS 14 0.041 -17.674 1.969
141 HE2 LYS 14 2HE LYS 14 -1.089 -15.870 1.108
142 HE3 LYS 14 3HE LYS 14 -2.138 -16.307 2.455
143 HZ1 LYS 14 3HZ LYS 14 -0.020 -14.423 3.072
144 HZ2 LYS 14 1HZ LYS 14 -1.638 -14.435 3.566
145 HZ3 LYS 14 2HZ LYS 14 -1.225 -13.845 2.036
146 H LEU 15 H LEU 15 2.578 -14.559 4.767
147 HA LEU 15 HA LEU 15 3.489 -12.760 5.827
148 HB2 LEU 15 2HB LEU 15 0.985 -13.323 7.352
149 HB3 LEU 15 3HB LEU 15 2.072 -12.050 7.904
150 HG LEU 15 HG LEU 15 0.222 -11.173 6.556
151 HD11 LEU 15 1HD1 LEU 15 3.050 -10.817 5.956
152 HD12 LEU 15 2HD1 LEU 15 1.786 -9.618 6.223
153 HD13 LEU 15 3HD1 LEU 15 1.990 -10.343 4.629
154 HD21 LEU 15 3HD2 LEU 15 1.376 -12.402 4.100
155 HD22 LEU 15 1HD2 LEU 15 -0.262 -11.828 4.415
156 HD23 LEU 15 2HD2 LEU 15 0.281 -13.360 5.098
157 H TYR 16 H TYR 16 4.602 -15.296 6.534
158 HA TYR 16 HA TYR 16 4.961 -15.720 9.257
159 HB2 TYR 16 2HB TYR 16 7.234 -16.687 8.493
160 HB3 TYR 16 3HB TYR 16 5.762 -17.422 7.866
161 HD1 TYR 16 HD2 TYR 16 7.878 -14.483 6.911
162 HD2 TYR 16 HD1 TYR 16 5.953 -18.069 5.669
163 HE1 TYR 16 HE2 TYR 16 8.675 -14.109 4.614
164 HE2 TYR 16 HE1 TYR 16 6.746 -17.705 3.369
165 HH TYR 16 HH TYR 16 7.985 -16.441 2.027
166 H HIS 17 H HIS 17 7.386 -15.540 10.159
167 HA HIS 17 HA HIS 17 7.845 -12.686 10.404
168 HB2 HIS 17 2HB HIS 17 8.622 -15.114 11.931
169 HB3 HIS 17 3HB HIS 17 9.710 -13.733 12.020
170 HD1 HIS 17 HD1 HIS 17 6.062 -13.070 11.744
171 HD2 HIS 17 HD2 HIS 17 8.957 -13.331 14.713
172 HE1 HIS 17 HE1 HIS 17 5.003 -12.091 13.804
173 H GLU 18 H GLU 18 8.547 -12.697 8.058
174 HA GLU 18 HA GLU 18 11.447 -12.736 7.997
175 HB2 GLU 18 2HB GLU 18 10.067 -14.928 6.985
176 HB3 GLU 18 3HB GLU 18 10.423 -13.958 5.563
177 HG2 GLU 18 2HG GLU 18 12.821 -13.887 6.740
178 HG3 GLU 18 3HG GLU 18 12.240 -15.432 7.360
179 H GLY 19 H GLY 19 11.405 -10.522 7.731
180 HA2 GLY 19 2HA GLY 19 11.378 -8.562 6.535
181 HA3 GLY 19 3HA GLY 19 11.173 -9.545 5.093
182 H LYS 20 H LYS 20 9.735 -7.302 7.140
183 HA LYS 20 HA LYS 20 6.999 -8.002 6.786
184 HB2 LYS 20 2HB LYS 20 8.501 -5.664 7.833
185 HB3 LYS 20 3HB LYS 20 6.851 -5.372 7.300
186 HG2 LYS 20 2HG LYS 20 6.251 -7.390 8.789
187 HG3 LYS 20 3HG LYS 20 7.833 -7.115 9.522
188 HD2 LYS 20 2HD LYS 20 7.226 -4.910 10.190
189 HD3 LYS 20 3HD LYS 20 5.745 -4.962 9.231
190 HE2 LYS 20 2HE LYS 20 6.254 -6.902 11.466
191 HE3 LYS 20 3HE LYS 20 5.549 -5.314 11.762
192 HZ1 LYS 20 3HZ LYS 20 3.594 -6.165 11.219
193 HZ2 LYS 20 1HZ LYS 20 4.292 -7.652 10.815
194 HZ3 LYS 20 2HZ LYS 20 4.151 -6.439 9.645
195 H PHE 21 H PHE 21 6.634 -8.364 4.599
196 HA PHE 21 HA PHE 21 5.772 -6.186 3.076
197 HB2 PHE 21 2HB PHE 21 8.481 -6.257 2.975
198 HB3 PHE 21 3HB PHE 21 8.086 -7.296 1.610
199 HD1 PHE 21 HD1 PHE 21 6.007 -6.245 0.177
200 HD2 PHE 21 HD2 PHE 21 8.889 -4.077 2.437
201 HE1 PHE 21 HE1 PHE 21 5.602 -4.259 -1.218
202 HE2 PHE 21 HE2 PHE 21 8.488 -2.087 1.047
203 HZ PHE 21 HZ PHE 21 6.842 -2.176 -0.783
204 H TRP 22 H TRP 22 4.032 -7.248 2.364
205 HA TRP 22 HA TRP 22 4.475 -9.672 0.760
206 HB2 TRP 22 2HB TRP 22 2.596 -9.279 3.050
207 HB3 TRP 22 3HB TRP 22 2.081 -10.294 1.705
208 HD1 TRP 22 HD1 TRP 22 5.063 -10.068 4.181
209 HE1 TRP 22 HE1 TRP 22 5.878 -12.463 4.655
210 HE3 TRP 22 HE3 TRP 22 1.966 -12.621 1.013
211 HZ2 TRP 22 HZ2 TRP 22 5.286 -15.087 3.799
212 HZ3 TRP 22 HZ3 TRP 22 2.155 -15.072 0.900
213 HH2 TRP 22 HH2 TRP 22 3.782 -16.277 2.265
214 H CYS 23 H CYS 23 4.392 -8.134 -1.012
215 HA CYS 23 HA CYS 23 1.882 -8.052 -2.264
216 HB2 CYS 23 2HB CYS 23 1.428 -6.279 -0.602
217 HB3 CYS 23 3HB CYS 23 2.813 -5.374 -1.205
218 HA PRO 24 HA PRO 24 5.328 -7.732 -5.192
219 HB2 PRO 24 2HB PRO 24 4.011 -9.001 -7.198
220 HB3 PRO 24 3HB PRO 24 4.823 -9.863 -5.887
221 HG2 PRO 24 2HG PRO 24 1.920 -9.210 -6.212
222 HG3 PRO 24 3HG PRO 24 2.672 -10.720 -5.664
223 HD2 PRO 24 2HD PRO 24 1.607 -8.917 -3.948
224 HD3 PRO 24 3HD PRO 24 3.006 -9.925 -3.526
Start of MODEL 13
1 H1 THR 1 H THR 1 0.375 0.378 -0.604
2 HA THR 1 HA THR 1 0.646 -0.124 -3.488
3 HB THR 1 HB THR 1 2.199 2.098 -2.204
4 HG1 THR 1 HG1 THR 1 -0.310 2.460 -3.499
5 HG21 THR 1 3HG2 THR 1 2.105 0.932 -4.755
6 HG22 THR 1 1HG2 THR 1 2.963 2.396 -4.277
7 HG23 THR 1 2HG2 THR 1 1.321 2.503 -4.914
8 H CYS 2 H CYS 2 2.430 -1.236 -4.080
9 HA CYS 2 HA CYS 2 4.605 -1.565 -2.143
10 HB2 CYS 2 2HB CYS 2 4.630 -4.041 -2.756
11 HB3 CYS 2 3HB CYS 2 3.335 -3.508 -1.688
12 H HIS 3 H HIS 3 6.297 -3.164 -3.351
13 HA HIS 3 HA HIS 3 6.929 -1.751 -5.832
14 HB2 HIS 3 2HB HIS 3 8.545 -3.336 -3.860
15 HB3 HIS 3 3HB HIS 3 9.164 -3.044 -5.482
16 HD1 HIS 3 HD1 HIS 3 8.421 -0.143 -5.919
17 HD2 HIS 3 HD2 HIS 3 9.929 -1.586 -2.327
18 HE1 HIS 3 HE1 HIS 3 9.421 1.853 -4.760
19 H ILE 4 H ILE 4 8.393 -3.343 -7.301
20 HA ILE 4 HA ILE 4 6.918 -5.857 -7.666
21 HB ILE 4 HB ILE 4 7.629 -4.016 -9.949
22 HG12 ILE 4 2HG1 ILE 4 5.843 -3.058 -8.527
23 HG13 ILE 4 3HG1 ILE 4 5.252 -3.513 -10.121
24 HG21 ILE 4 1HG2 ILE 4 6.817 -6.773 -9.772
25 HG22 ILE 4 2HG2 ILE 4 5.643 -5.831 -10.690
26 HG23 ILE 4 3HG2 ILE 4 7.337 -5.844 -11.178
27 HD11 ILE 4 3HD1 ILE 4 4.893 -5.744 -8.439
28 HD12 ILE 4 1HD1 ILE 4 4.317 -4.326 -7.564
29 HD13 ILE 4 2HD1 ILE 4 3.664 -4.705 -9.158
30 H ARG 5 H ARG 5 8.377 -7.417 -7.458
31 HA ARG 5 HA ARG 5 10.714 -7.453 -9.140
32 HB2 ARG 5 2HB ARG 5 12.235 -7.913 -7.145
33 HB3 ARG 5 3HB ARG 5 11.753 -6.242 -7.405
34 HG2 ARG 5 2HG ARG 5 9.968 -6.567 -5.694
35 HG3 ARG 5 3HG ARG 5 10.659 -8.157 -5.361
36 HD2 ARG 5 2HD ARG 5 12.243 -5.601 -5.210
37 HD3 ARG 5 3HD ARG 5 11.394 -6.293 -3.828
38 HE ARG 5 HE ARG 5 13.881 -7.157 -4.912
39 HH11 ARG 5 1HH1 ARG 5 10.988 -8.273 -3.330
40 HH12 ARG 5 2HH1 ARG 5 11.753 -9.658 -2.623
41 HH21 ARG 5 1HH2 ARG 5 14.899 -8.977 -3.988
42 HH22 ARG 5 2HH2 ARG 5 13.978 -10.057 -2.998
43 H ARG 6 H ARG 6 9.164 -8.962 -6.315
44 HA ARG 6 HA ARG 6 9.102 -11.505 -7.708
45 HB2 ARG 6 2HB ARG 6 10.649 -11.096 -5.148
46 HB3 ARG 6 3HB ARG 6 10.121 -12.677 -5.710
47 HG2 ARG 6 2HG ARG 6 11.928 -10.814 -7.236
48 HG3 ARG 6 3HG ARG 6 12.462 -12.194 -6.275
49 HD2 ARG 6 2HD ARG 6 10.722 -12.247 -8.736
50 HD3 ARG 6 3HD ARG 6 12.375 -12.841 -8.589
51 HE ARG 6 HE ARG 6 10.908 -14.226 -6.714
52 HH11 ARG 6 1HH1 ARG 6 10.854 -13.809 -10.170
53 HH12 ARG 6 2HH1 ARG 6 10.194 -15.381 -10.480
54 HH21 ARG 6 1HH2 ARG 6 10.040 -16.298 -7.109
55 HH22 ARG 6 2HH2 ARG 6 9.731 -16.795 -8.738
56 H LYS 7 H LYS 7 7.439 -12.800 -7.059
57 HA LYS 7 HA LYS 7 5.709 -11.713 -4.942
58 HB2 LYS 7 2HB LYS 7 3.861 -12.872 -6.074
59 HB3 LYS 7 3HB LYS 7 4.668 -11.735 -7.147
60 HG2 LYS 7 2HG LYS 7 4.448 -13.531 -8.535
61 HG3 LYS 7 3HG LYS 7 6.041 -13.859 -7.848
62 HD2 LYS 7 2HD LYS 7 5.321 -15.681 -6.732
63 HD3 LYS 7 3HD LYS 7 3.776 -14.938 -6.313
64 HE2 LYS 7 2HE LYS 7 3.904 -15.388 -9.141
65 HE3 LYS 7 3HE LYS 7 4.290 -16.880 -8.286
66 HZ1 LYS 7 3HZ LYS 7 2.188 -17.118 -7.644
67 HZ2 LYS 7 1HZ LYS 7 1.792 -15.919 -8.771
68 HZ3 LYS 7 2HZ LYS 7 2.049 -15.506 -7.151
69 HA PRO 8 HA PRO 8 6.221 -15.305 -2.469
70 HB2 PRO 8 2HB PRO 8 3.770 -15.503 -1.319
71 HB3 PRO 8 3HB PRO 8 4.938 -14.249 -0.883
72 HG2 PRO 8 2HG PRO 8 2.576 -14.083 -2.715
73 HG3 PRO 8 3HG PRO 8 3.128 -12.923 -1.493
74 HD2 PRO 8 2HD PRO 8 3.627 -12.603 -4.135
75 HD3 PRO 8 3HD PRO 8 4.748 -12.044 -2.876
76 H LYS 9 H LYS 9 5.956 -17.495 -2.543
77 HA LYS 9 HA LYS 9 3.719 -18.861 -3.535
78 HB2 LYS 9 2HB LYS 9 5.472 -17.829 -5.567
79 HB3 LYS 9 3HB LYS 9 5.523 -19.586 -5.584
80 HG2 LYS 9 2HG LYS 9 3.022 -17.917 -5.744
81 HG3 LYS 9 3HG LYS 9 3.832 -18.689 -7.109
82 HD2 LYS 9 2HD LYS 9 2.727 -20.155 -4.714
83 HD3 LYS 9 3HD LYS 9 1.887 -19.974 -6.256
84 HE2 LYS 9 2HE LYS 9 3.995 -21.015 -7.291
85 HE3 LYS 9 3HE LYS 9 4.398 -21.501 -5.645
86 HZ1 LYS 9 3HZ LYS 9 3.138 -23.163 -7.043
87 HZ2 LYS 9 1HZ LYS 9 1.790 -22.152 -6.884
88 HZ3 LYS 9 2HZ LYS 9 2.497 -22.842 -5.511
89 H PHE 10 H PHE 10 4.056 -21.176 -3.669
90 HA PHE 10 HA PHE 10 4.835 -23.107 -2.743
91 HB2 PHE 10 2HB PHE 10 7.344 -21.834 -3.812
92 HB3 PHE 10 3HB PHE 10 7.377 -23.414 -3.037
93 HD1 PHE 10 HD1 PHE 10 5.124 -24.829 -3.972
94 HD2 PHE 10 HD2 PHE 10 7.538 -22.031 -6.083
95 HE1 PHE 10 HE1 PHE 10 4.484 -25.887 -6.100
96 HE2 PHE 10 HE2 PHE 10 6.902 -23.084 -8.214
97 HZ PHE 10 HZ PHE 10 5.372 -25.014 -8.224
98 H ARG 11 H ARG 11 4.444 -20.919 -0.928
99 HA ARG 11 HA ARG 11 6.565 -21.397 1.055
100 HB2 ARG 11 2HB ARG 11 5.842 -19.339 2.137
101 HB3 ARG 11 3HB ARG 11 6.209 -19.040 0.443
102 HG2 ARG 11 2HG ARG 11 3.402 -19.690 1.025
103 HG3 ARG 11 3HG ARG 11 3.988 -18.166 1.694
104 HD2 ARG 11 2HD ARG 11 4.723 -17.456 -0.509
105 HD3 ARG 11 3HD ARG 11 4.225 -19.003 -1.194
106 HE ARG 11 HE ARG 11 2.529 -16.774 -0.513
107 HH11 ARG 11 1HH1 ARG 11 2.691 -20.201 -1.109
108 HH12 ARG 11 2HH1 ARG 11 1.017 -20.337 -1.534
109 HH21 ARG 11 1HH2 ARG 11 0.324 -16.942 -1.071
110 HH22 ARG 11 2HH2 ARG 11 -0.328 -18.483 -1.513
111 H LYS 12 H LYS 12 6.030 -21.956 3.176
112 HA LYS 12 HA LYS 12 3.538 -23.423 3.423
113 HB2 LYS 12 2HB LYS 12 5.982 -23.201 5.178
114 HB3 LYS 12 3HB LYS 12 4.548 -24.102 5.652
115 HG2 LYS 12 2HG LYS 12 5.912 -24.680 3.056
116 HG3 LYS 12 3HG LYS 12 6.522 -25.356 4.568
117 HD2 LYS 12 2HD LYS 12 4.493 -26.519 4.968
118 HD3 LYS 12 3HD LYS 12 3.656 -25.639 3.687
119 HE2 LYS 12 2HE LYS 12 4.599 -26.889 2.025
120 HE3 LYS 12 3HE LYS 12 6.067 -27.207 2.947
121 HZ1 LYS 12 3HZ LYS 12 4.339 -29.087 2.546
122 HZ2 LYS 12 1HZ LYS 12 3.531 -28.378 3.853
123 HZ3 LYS 12 2HZ LYS 12 5.110 -28.955 4.046
124 H PHE 13 H PHE 13 5.269 -21.188 5.603
125 HA PHE 13 HA PHE 13 2.769 -20.466 6.876
126 HB2 PHE 13 2HB PHE 13 5.637 -19.669 7.385
127 HB3 PHE 13 3HB PHE 13 4.281 -19.012 8.296
128 HD1 PHE 13 HD1 PHE 13 6.069 -22.139 7.462
129 HD2 PHE 13 HD2 PHE 13 3.330 -20.200 10.080
130 HE1 PHE 13 HE1 PHE 13 6.168 -24.067 8.987
131 HE2 PHE 13 HE2 PHE 13 3.425 -22.125 11.610
132 HZ PHE 13 HZ PHE 13 4.846 -24.061 11.065
133 H LYS 14 H LYS 14 1.663 -18.609 6.617
134 HA LYS 14 HA LYS 14 2.566 -16.804 4.500
135 HB2 LYS 14 2HB LYS 14 -0.094 -17.358 5.779
136 HB3 LYS 14 3HB LYS 14 0.161 -15.886 4.851
137 HG2 LYS 14 2HG LYS 14 0.737 -18.607 3.723
138 HG3 LYS 14 3HG LYS 14 -0.860 -17.860 3.632
139 HD2 LYS 14 2HD LYS 14 1.560 -16.361 2.707
140 HD3 LYS 14 3HD LYS 14 0.809 -17.568 1.660
141 HE2 LYS 14 2HE LYS 14 -0.597 -15.200 2.893
142 HE3 LYS 14 3HE LYS 14 -0.031 -15.295 1.227
143 HZ1 LYS 14 3HZ LYS 14 -1.547 -17.541 1.557
144 HZ2 LYS 14 1HZ LYS 14 -2.024 -16.125 0.764
145 HZ3 LYS 14 2HZ LYS 14 -2.413 -16.353 2.393
146 H LEU 15 H LEU 15 2.967 -14.661 4.802
147 HA LEU 15 HA LEU 15 3.668 -12.803 5.919
148 HB2 LEU 15 2HB LEU 15 1.096 -13.531 7.251
149 HB3 LEU 15 3HB LEU 15 2.048 -12.183 7.869
150 HG LEU 15 HG LEU 15 0.260 -11.430 6.382
151 HD11 LEU 15 1HD1 LEU 15 1.722 -9.781 6.078
152 HD12 LEU 15 2HD1 LEU 15 2.143 -10.563 4.555
153 HD13 LEU 15 3HD1 LEU 15 3.086 -10.897 6.007
154 HD21 LEU 15 3HD2 LEU 15 0.217 -13.486 4.976
155 HD22 LEU 15 1HD2 LEU 15 1.699 -12.929 4.199
156 HD23 LEU 15 2HD2 LEU 15 0.218 -11.983 4.051
157 H TYR 16 H TYR 16 4.876 -15.269 6.733
158 HA TYR 16 HA TYR 16 5.049 -15.637 9.487
159 HB2 TYR 16 2HB TYR 16 7.413 -16.505 8.908
160 HB3 TYR 16 3HB TYR 16 6.029 -17.320 8.188
161 HD1 TYR 16 HD1 TYR 16 8.067 -14.295 7.337
162 HD2 TYR 16 HD2 TYR 16 6.414 -17.989 6.023
163 HE1 TYR 16 HE1 TYR 16 9.015 -13.916 5.100
164 HE2 TYR 16 HE2 TYR 16 7.359 -17.621 3.782
165 HH TYR 16 HH TYR 16 8.158 -15.019 2.528
166 H HIS 17 H HIS 17 7.443 -15.336 10.506
167 HA HIS 17 HA HIS 17 7.740 -12.448 10.716
168 HB2 HIS 17 2HB HIS 17 8.462 -14.790 12.397
169 HB3 HIS 17 3HB HIS 17 9.492 -13.367 12.526
170 HD1 HIS 17 HD1 HIS 17 6.763 -14.792 14.175
171 HD2 HIS 17 HD2 HIS 17 7.590 -10.941 12.853
172 HE1 HIS 17 HE1 HIS 17 5.268 -13.284 15.521
173 H GLU 18 H GLU 18 8.646 -12.514 8.442
174 HA GLU 18 HA GLU 18 11.540 -12.448 8.634
175 HB2 GLU 18 2HB GLU 18 10.399 -14.743 7.651
176 HB3 GLU 18 3HB GLU 18 10.683 -13.816 6.185
177 HG2 GLU 18 2HG GLU 18 12.577 -15.200 6.560
178 HG3 GLU 18 3HG GLU 18 13.048 -13.535 6.895
179 H GLY 19 H GLY 19 11.455 -10.248 8.283
180 HA2 GLY 19 2HA GLY 19 11.435 -8.322 7.035
181 HA3 GLY 19 3HA GLY 19 11.449 -9.357 5.615
182 H LYS 20 H LYS 20 9.610 -7.248 7.550
183 HA LYS 20 HA LYS 20 6.999 -8.076 6.868
184 HB2 LYS 20 2HB LYS 20 8.010 -6.226 8.565
185 HB3 LYS 20 3HB LYS 20 7.471 -5.181 7.256
186 HG2 LYS 20 2HG LYS 20 5.255 -5.693 7.574
187 HG3 LYS 20 3HG LYS 20 5.612 -7.252 8.321
188 HD2 LYS 20 2HD LYS 20 6.511 -6.043 10.294
189 HD3 LYS 20 3HD LYS 20 6.006 -4.524 9.550
190 HE2 LYS 20 2HE LYS 20 4.006 -6.710 9.880
191 HE3 LYS 20 3HE LYS 20 4.471 -5.761 11.291
192 HZ1 LYS 20 3HZ LYS 20 3.226 -4.792 8.783
193 HZ2 LYS 20 1HZ LYS 20 3.929 -3.750 9.915
194 HZ3 LYS 20 2HZ LYS 20 2.605 -4.705 10.354
195 H PHE 21 H PHE 21 6.884 -8.520 4.671
196 HA PHE 21 HA PHE 21 6.174 -6.355 2.996
197 HB2 PHE 21 2HB PHE 21 8.872 -6.594 3.096
198 HB3 PHE 21 3HB PHE 21 8.508 -7.692 1.769
199 HD1 PHE 21 HD2 PHE 21 6.469 -6.537 0.238
200 HD2 PHE 21 HD1 PHE 21 9.588 -4.556 2.351
201 HE1 PHE 21 HE2 PHE 21 6.290 -4.623 -1.298
202 HE2 PHE 21 HE1 PHE 21 9.413 -2.639 0.819
203 HZ PHE 21 HZ PHE 21 7.763 -2.671 -1.009
204 H TRP 22 H TRP 22 4.405 -7.378 2.276
205 HA TRP 22 HA TRP 22 4.804 -9.849 0.744
206 HB2 TRP 22 2HB TRP 22 2.871 -9.392 2.990
207 HB3 TRP 22 3HB TRP 22 2.438 -10.482 1.676
208 HD1 TRP 22 HD1 TRP 22 5.195 -10.073 4.361
209 HE1 TRP 22 HE1 TRP 22 6.100 -12.413 4.936
210 HE3 TRP 22 HE3 TRP 22 2.575 -12.819 0.937
211 HZ2 TRP 22 HZ2 TRP 22 5.750 -15.071 4.054
212 HZ3 TRP 22 HZ3 TRP 22 2.918 -15.255 0.867
213 HH2 TRP 22 HH2 TRP 22 4.473 -16.356 2.394
214 H CYS 23 H CYS 23 4.748 -8.321 -1.040
215 HA CYS 23 HA CYS 23 2.253 -8.224 -2.311
216 HB2 CYS 23 2HB CYS 23 1.784 -6.450 -0.656
217 HB3 CYS 23 3HB CYS 23 3.180 -5.549 -1.242
218 HA PRO 24 HA PRO 24 5.721 -7.917 -5.211
219 HB2 PRO 24 2HB PRO 24 4.412 -9.174 -7.230
220 HB3 PRO 24 3HB PRO 24 5.208 -10.044 -5.914
221 HG2 PRO 24 2HG PRO 24 2.312 -9.372 -6.261
222 HG3 PRO 24 3HG PRO 24 3.050 -10.887 -5.710
223 HD2 PRO 24 2HD PRO 24 1.982 -9.080 -3.999
224 HD3 PRO 24 3HD PRO 24 3.372 -10.098 -3.569
Start of MODEL 14
1 H1 THR 1 H THR 1 1.788 1.670 -4.535
2 HA THR 1 HA THR 1 2.729 2.186 -1.794
3 HB THR 1 HB THR 1 0.796 1.030 -0.972
4 HG1 THR 1 HG1 THR 1 0.167 0.472 -3.698
5 HG21 THR 1 3HG2 THR 1 -0.903 2.521 -1.592
6 HG22 THR 1 1HG2 THR 1 -0.287 2.682 -3.236
7 HG23 THR 1 2HG2 THR 1 0.584 3.419 -1.891
8 H CYS 2 H CYS 2 2.133 -0.409 -4.140
9 HA CYS 2 HA CYS 2 3.876 -2.167 -2.546
10 HB2 CYS 2 2HB CYS 2 1.741 -2.820 -4.585
11 HB3 CYS 2 3HB CYS 2 2.833 -4.018 -3.896
12 H HIS 3 H HIS 3 5.844 -2.556 -3.295
13 HA HIS 3 HA HIS 3 6.319 -2.638 -6.175
14 HB2 HIS 3 2HB HIS 3 6.804 -0.300 -5.176
15 HB3 HIS 3 3HB HIS 3 8.204 -1.069 -4.434
16 HD1 HIS 3 HD1 HIS 3 10.180 -1.631 -5.946
17 HD2 HIS 3 HD2 HIS 3 6.922 -0.070 -7.996
18 HE1 HIS 3 HE1 HIS 3 11.024 -1.118 -8.259
19 H ILE 4 H ILE 4 6.655 -4.853 -5.970
20 HA ILE 4 HA ILE 4 9.251 -5.570 -4.828
21 HB ILE 4 HB ILE 4 6.722 -7.134 -4.295
22 HG12 ILE 4 2HG1 ILE 4 6.971 -5.096 -2.908
23 HG13 ILE 4 3HG1 ILE 4 7.089 -6.571 -1.955
24 HG21 ILE 4 1HG2 ILE 4 9.618 -7.732 -3.870
25 HG22 ILE 4 2HG2 ILE 4 8.411 -8.393 -2.769
26 HG23 ILE 4 3HG2 ILE 4 8.337 -8.773 -4.489
27 HD11 ILE 4 3HD1 ILE 4 9.686 -5.735 -2.861
28 HD12 ILE 4 1HD1 ILE 4 8.868 -4.436 -1.994
29 HD13 ILE 4 2HD1 ILE 4 9.097 -6.005 -1.221
30 H ARG 5 H ARG 5 10.342 -7.146 -5.936
31 HA ARG 5 HA ARG 5 9.266 -7.828 -8.550
32 HB2 ARG 5 2HB ARG 5 11.481 -8.421 -9.161
33 HB3 ARG 5 3HB ARG 5 11.617 -6.962 -8.189
34 HG2 ARG 5 2HG ARG 5 12.047 -8.542 -6.221
35 HG3 ARG 5 3HG ARG 5 12.316 -9.778 -7.452
36 HD2 ARG 5 2HD ARG 5 14.434 -8.826 -6.864
37 HD3 ARG 5 3HD ARG 5 14.014 -8.284 -8.488
38 HE ARG 5 HE ARG 5 13.234 -6.459 -6.403
39 HH11 ARG 5 1HH1 ARG 5 15.782 -7.436 -8.566
40 HH12 ARG 5 2HH1 ARG 5 16.575 -5.896 -8.536
41 HH21 ARG 5 1HH2 ARG 5 14.270 -4.427 -6.355
42 HH22 ARG 5 2HH2 ARG 5 15.715 -4.186 -7.277
43 H ARG 6 H ARG 6 9.924 -9.318 -5.491
44 HA ARG 6 HA ARG 6 9.558 -12.001 -6.595
45 HB2 ARG 6 2HB ARG 6 10.614 -10.898 -4.036
46 HB3 ARG 6 3HB ARG 6 9.890 -12.500 -4.003
47 HG2 ARG 6 2HG ARG 6 11.975 -11.837 -6.036
48 HG3 ARG 6 3HG ARG 6 12.434 -12.255 -4.385
49 HD2 ARG 6 2HD ARG 6 11.325 -14.384 -4.562
50 HD3 ARG 6 3HD ARG 6 10.677 -13.957 -6.146
51 HE ARG 6 HE ARG 6 13.520 -13.838 -6.110
52 HH11 ARG 6 1HH1 ARG 6 10.825 -16.034 -6.285
53 HH12 ARG 6 2HH1 ARG 6 11.708 -17.257 -7.138
54 HH21 ARG 6 1HH2 ARG 6 14.694 -15.439 -7.232
55 HH22 ARG 6 2HH2 ARG 6 13.909 -16.917 -7.676
56 H LYS 7 H LYS 7 7.543 -12.699 -6.806
57 HA LYS 7 HA LYS 7 5.521 -11.808 -4.862
58 HB2 LYS 7 2HB LYS 7 3.855 -12.428 -6.583
59 HB3 LYS 7 3HB LYS 7 4.973 -11.190 -7.141
60 HG2 LYS 7 2HG LYS 7 5.029 -12.509 -8.968
61 HG3 LYS 7 3HG LYS 7 6.265 -13.351 -8.029
62 HD2 LYS 7 2HD LYS 7 4.757 -14.991 -8.897
63 HD3 LYS 7 3HD LYS 7 4.467 -14.856 -7.161
64 HE2 LYS 7 2HE LYS 7 2.444 -13.768 -7.455
65 HE3 LYS 7 3HE LYS 7 2.860 -13.218 -9.077
66 HZ1 LYS 7 3HZ LYS 7 1.697 -14.934 -9.825
67 HZ2 LYS 7 1HZ LYS 7 1.521 -15.593 -8.277
68 HZ3 LYS 7 2HZ LYS 7 2.886 -15.964 -9.205
69 HA PRO 8 HA PRO 8 5.039 -15.869 -3.266
70 HB2 PRO 8 2HB PRO 8 2.383 -15.902 -2.704
71 HB3 PRO 8 3HB PRO 8 3.553 -14.973 -1.760
72 HG2 PRO 8 2HG PRO 8 1.708 -14.050 -3.930
73 HG3 PRO 8 3HG PRO 8 2.092 -13.274 -2.382
74 HD2 PRO 8 2HD PRO 8 3.217 -12.498 -4.720
75 HD3 PRO 8 3HD PRO 8 4.075 -12.400 -3.169
76 H LYS 9 H LYS 9 4.778 -17.865 -4.078
77 HA LYS 9 HA LYS 9 2.762 -18.318 -6.158
78 HB2 LYS 9 2HB LYS 9 4.989 -17.839 -7.217
79 HB3 LYS 9 3HB LYS 9 5.620 -19.267 -6.408
80 HG2 LYS 9 2HG LYS 9 3.288 -20.085 -7.741
81 HG3 LYS 9 3HG LYS 9 4.183 -19.067 -8.871
82 HD2 LYS 9 2HD LYS 9 6.107 -20.434 -8.728
83 HD3 LYS 9 3HD LYS 9 5.485 -21.289 -7.315
84 HE2 LYS 9 2HE LYS 9 3.799 -22.366 -8.629
85 HE3 LYS 9 3HE LYS 9 4.190 -21.376 -10.035
86 HZ1 LYS 9 3HZ LYS 9 6.442 -22.834 -9.010
87 HZ2 LYS 9 1HZ LYS 9 5.859 -22.719 -10.594
88 HZ3 LYS 9 2HZ LYS 9 5.184 -23.842 -9.525
89 H PHE 10 H PHE 10 5.223 -19.829 -4.084
90 HA PHE 10 HA PHE 10 3.281 -21.853 -3.306
91 HB2 PHE 10 2HB PHE 10 4.347 -22.941 -5.173
92 HB3 PHE 10 3HB PHE 10 5.945 -22.512 -4.572
93 HD1 PHE 10 HD2 PHE 10 2.963 -24.037 -2.932
94 HD2 PHE 10 HD1 PHE 10 7.068 -24.426 -3.987
95 HE1 PHE 10 HE2 PHE 10 3.071 -26.171 -1.712
96 HE2 PHE 10 HE1 PHE 10 7.182 -26.561 -2.769
97 HZ PHE 10 HZ PHE 10 5.182 -27.436 -1.628
98 H ARG 11 H ARG 11 3.347 -20.856 -1.270
99 HA ARG 11 HA ARG 11 5.825 -21.366 0.238
100 HB2 ARG 11 2HB ARG 11 5.308 -19.391 1.621
101 HB3 ARG 11 3HB ARG 11 5.573 -18.968 -0.065
102 HG2 ARG 11 2HG ARG 11 2.780 -19.485 0.753
103 HG3 ARG 11 3HG ARG 11 3.541 -18.018 1.373
104 HD2 ARG 11 2HD ARG 11 4.108 -17.345 -0.906
105 HD3 ARG 11 3HD ARG 11 3.368 -18.819 -1.530
106 HE ARG 11 HE ARG 11 2.016 -16.437 -0.634
107 HH11 ARG 11 1HH1 ARG 11 1.737 -19.852 -1.255
108 HH12 ARG 11 2HH1 ARG 11 0.018 -19.806 -1.466
109 HH21 ARG 11 1HH2 ARG 11 -0.247 -16.364 -0.909
110 HH22 ARG 11 2HH2 ARG 11 -1.110 -17.821 -1.270
111 H LYS 12 H LYS 12 5.615 -22.229 2.277
112 HA LYS 12 HA LYS 12 3.287 -23.758 2.797
113 HB2 LYS 12 2HB LYS 12 5.780 -23.168 4.372
114 HB3 LYS 12 3HB LYS 12 4.468 -24.112 5.064
115 HG2 LYS 12 2HG LYS 12 4.675 -25.733 3.245
116 HG3 LYS 12 3HG LYS 12 5.997 -24.786 2.558
117 HD2 LYS 12 2HD LYS 12 7.274 -25.118 4.648
118 HD3 LYS 12 3HD LYS 12 5.966 -26.134 5.259
119 HE2 LYS 12 2HE LYS 12 7.610 -26.660 2.784
120 HE3 LYS 12 3HE LYS 12 7.796 -27.473 4.337
121 HZ1 LYS 12 3HZ LYS 12 5.256 -27.960 3.933
122 HZ2 LYS 12 1HZ LYS 12 6.460 -28.954 3.281
123 HZ3 LYS 12 2HZ LYS 12 5.711 -27.787 2.312
124 H PHE 13 H PHE 13 4.758 -21.452 5.069
125 HA PHE 13 HA PHE 13 2.172 -20.908 6.231
126 HB2 PHE 13 2HB PHE 13 5.000 -20.259 6.897
127 HB3 PHE 13 3HB PHE 13 3.751 -19.193 7.533
128 HD1 PHE 13 HD2 PHE 13 4.789 -22.752 7.377
129 HD2 PHE 13 HD1 PHE 13 2.561 -19.773 9.445
130 HE1 PHE 13 HE2 PHE 13 4.375 -24.339 9.211
131 HE2 PHE 13 HE1 PHE 13 2.144 -21.355 11.282
132 HZ PHE 13 HZ PHE 13 3.050 -23.642 11.166
133 H LYS 14 H LYS 14 1.909 -18.424 6.864
134 HA LYS 14 HA LYS 14 2.374 -16.777 4.477
135 HB2 LYS 14 2HB LYS 14 -0.239 -17.445 5.768
136 HB3 LYS 14 3HB LYS 14 -0.028 -15.854 5.050
137 HG2 LYS 14 2HG LYS 14 0.729 -18.204 3.411
138 HG3 LYS 14 3HG LYS 14 -0.990 -17.911 3.687
139 HD2 LYS 14 2HD LYS 14 0.045 -15.411 3.059
140 HD3 LYS 14 3HD LYS 14 0.875 -16.516 1.961
141 HE2 LYS 14 2HE LYS 14 -1.116 -15.779 0.876
142 HE3 LYS 14 3HE LYS 14 -1.360 -17.458 1.354
143 HZ1 LYS 14 3HZ LYS 14 -2.316 -15.145 2.946
144 HZ2 LYS 14 1HZ LYS 14 -2.695 -16.777 3.178
145 HZ3 LYS 14 2HZ LYS 14 -3.272 -15.961 1.814
146 H LEU 15 H LEU 15 2.756 -14.633 4.861
147 HA LEU 15 HA LEU 15 3.510 -12.833 6.036
148 HB2 LEU 15 2HB LEU 15 1.023 -13.654 7.471
149 HB3 LEU 15 3HB LEU 15 2.002 -12.333 8.106
150 HG LEU 15 HG LEU 15 0.128 -11.515 6.768
151 HD11 LEU 15 1HD1 LEU 15 1.902 -10.542 4.883
152 HD12 LEU 15 2HD1 LEU 15 2.923 -10.938 6.265
153 HD13 LEU 15 3HD1 LEU 15 1.558 -9.839 6.463
154 HD21 LEU 15 3HD2 LEU 15 1.437 -12.819 4.392
155 HD22 LEU 15 1HD2 LEU 15 -0.108 -11.972 4.454
156 HD23 LEU 15 2HD2 LEU 15 0.075 -13.531 5.258
157 H TYR 16 H TYR 16 4.793 -15.312 6.636
158 HA TYR 16 HA TYR 16 5.122 -15.844 9.349
159 HB2 TYR 16 2HB TYR 16 7.462 -16.633 8.591
160 HB3 TYR 16 3HB TYR 16 6.052 -17.428 7.899
161 HD1 TYR 16 HD2 TYR 16 8.025 -14.338 7.132
162 HD2 TYR 16 HD1 TYR 16 6.300 -17.944 5.673
163 HE1 TYR 16 HE2 TYR 16 8.842 -13.808 4.873
164 HE2 TYR 16 HE1 TYR 16 7.113 -17.424 3.410
165 HH TYR 16 HH TYR 16 8.238 -15.999 2.140
166 H HIS 17 H HIS 17 7.568 -15.565 10.248
167 HA HIS 17 HA HIS 17 7.826 -12.695 10.642
168 HB2 HIS 17 2HB HIS 17 7.822 -14.192 12.600
169 HB3 HIS 17 3HB HIS 17 9.269 -14.989 11.989
170 HD1 HIS 17 HD1 HIS 17 10.889 -14.328 13.795
171 HD2 HIS 17 HD2 HIS 17 8.860 -11.076 12.192
172 HE1 HIS 17 HE1 HIS 17 12.013 -12.295 14.756
173 H GLU 18 H GLU 18 8.570 -12.582 8.307
174 HA GLU 18 HA GLU 18 11.466 -12.434 8.307
175 HB2 GLU 18 2HB GLU 18 10.241 -14.674 7.190
176 HB3 GLU 18 3HB GLU 18 10.591 -13.639 5.813
177 HG2 GLU 18 2HG GLU 18 12.845 -13.745 7.593
178 HG3 GLU 18 3HG GLU 18 12.337 -15.368 7.130
179 H GLY 19 H GLY 19 11.243 -10.213 8.128
180 HA2 GLY 19 2HA GLY 19 11.155 -8.234 6.962
181 HA3 GLY 19 3HA GLY 19 10.980 -9.187 5.495
182 H LYS 20 H LYS 20 9.592 -6.756 6.952
183 HA LYS 20 HA LYS 20 6.829 -7.652 6.888
184 HB2 LYS 20 2HB LYS 20 8.263 -5.212 7.798
185 HB3 LYS 20 3HB LYS 20 6.591 -5.017 7.289
186 HG2 LYS 20 2HG LYS 20 5.965 -6.815 8.896
187 HG3 LYS 20 3HG LYS 20 7.631 -6.798 9.480
188 HD2 LYS 20 2HD LYS 20 6.485 -5.403 10.968
189 HD3 LYS 20 3HD LYS 20 7.274 -4.287 9.851
190 HE2 LYS 20 2HE LYS 20 4.988 -3.590 10.255
191 HE3 LYS 20 3HE LYS 20 5.178 -4.107 8.580
192 HZ1 LYS 20 3HZ LYS 20 3.588 -5.599 8.872
193 HZ2 LYS 20 1HZ LYS 20 3.344 -5.037 10.449
194 HZ3 LYS 20 2HZ LYS 20 4.420 -6.310 10.161
195 H PHE 21 H PHE 21 6.441 -8.121 4.731
196 HA PHE 21 HA PHE 21 5.517 -6.041 3.111
197 HB2 PHE 21 2HB PHE 21 8.231 -6.064 2.988
198 HB3 PHE 21 3HB PHE 21 7.836 -7.160 1.667
199 HD1 PHE 21 HD1 PHE 21 5.452 -6.051 0.506
200 HD2 PHE 21 HD2 PHE 21 8.861 -4.048 2.083
201 HE1 PHE 21 HE1 PHE 21 4.992 -4.125 -0.955
202 HE2 PHE 21 HE2 PHE 21 8.406 -2.119 0.625
203 HZ PHE 21 HZ PHE 21 6.470 -2.156 -0.896
204 H TRP 22 H TRP 22 3.811 -7.140 2.397
205 HA TRP 22 HA TRP 22 4.292 -9.615 0.898
206 HB2 TRP 22 2HB TRP 22 2.470 -9.240 3.237
207 HB3 TRP 22 3HB TRP 22 1.965 -10.317 1.938
208 HD1 TRP 22 HD1 TRP 22 4.863 -9.905 4.465
209 HE1 TRP 22 HE1 TRP 22 5.858 -12.234 4.924
210 HE3 TRP 22 HE3 TRP 22 2.134 -12.631 1.109
211 HZ2 TRP 22 HZ2 TRP 22 5.530 -14.877 3.988
212 HZ3 TRP 22 HZ3 TRP 22 2.536 -15.053 0.953
213 HH2 TRP 22 HH2 TRP 22 4.199 -16.151 2.363
214 H CYS 23 H CYS 23 4.084 -8.132 -0.909
215 HA CYS 23 HA CYS 23 1.564 -8.206 -2.109
216 HB2 CYS 23 2HB CYS 23 0.855 -6.507 -0.561
217 HB3 CYS 23 3HB CYS 23 2.290 -5.540 -0.886
218 HA PRO 24 HA PRO 24 4.933 -7.619 -5.084
219 HB2 PRO 24 2HB PRO 24 3.691 -8.988 -7.073
220 HB3 PRO 24 3HB PRO 24 4.586 -9.784 -5.774
221 HG2 PRO 24 2HG PRO 24 1.637 -9.359 -6.058
222 HG3 PRO 24 3HG PRO 24 2.513 -10.805 -5.522
223 HD2 PRO 24 2HD PRO 24 1.333 -9.090 -3.789
224 HD3 PRO 24 3HD PRO 24 2.813 -9.986 -3.388
Start of MODEL 15
1 H1 THR 1 H THR 1 1.266 2.485 -4.057
2 HA THR 1 HA THR 1 2.624 2.019 -1.795
3 HB THR 1 HB THR 1 0.188 0.413 -2.594
4 HG1 THR 1 HG1 THR 1 0.412 2.962 -1.332
5 HG21 THR 1 3HG2 THR 1 1.582 0.914 0.000
6 HG22 THR 1 1HG2 THR 1 0.865 -0.572 -0.619
7 HG23 THR 1 2HG2 THR 1 -0.171 0.721 -0.016
8 H CYS 2 H CYS 2 1.554 -0.682 -3.873
9 HA CYS 2 HA CYS 2 3.472 -2.443 -2.577
10 HB2 CYS 2 2HB CYS 2 1.366 -2.955 -4.686
11 HB3 CYS 2 3HB CYS 2 2.417 -4.199 -4.016
12 H HIS 3 H HIS 3 5.493 -2.485 -3.286
13 HA HIS 3 HA HIS 3 5.975 -2.544 -6.176
14 HB2 HIS 3 2HB HIS 3 6.345 -0.214 -5.201
15 HB3 HIS 3 3HB HIS 3 7.707 -0.907 -4.326
16 HD1 HIS 3 HD1 HIS 3 9.211 -2.479 -6.296
17 HD2 HIS 3 HD2 HIS 3 7.329 1.071 -7.352
18 HE1 HIS 3 HE1 HIS 3 10.391 -1.683 -8.369
19 H ILE 4 H ILE 4 6.406 -4.747 -6.032
20 HA ILE 4 HA ILE 4 9.024 -5.383 -4.888
21 HB ILE 4 HB ILE 4 6.564 -7.077 -4.437
22 HG12 ILE 4 2HG1 ILE 4 6.697 -5.078 -2.983
23 HG13 ILE 4 3HG1 ILE 4 6.881 -6.575 -2.075
24 HG21 ILE 4 1HG2 ILE 4 8.268 -8.624 -4.673
25 HG22 ILE 4 2HG2 ILE 4 9.480 -7.549 -3.977
26 HG23 ILE 4 3HG2 ILE 4 8.280 -8.316 -2.937
27 HD11 ILE 4 3HD1 ILE 4 8.861 -5.949 -1.313
28 HD12 ILE 4 1HD1 ILE 4 9.436 -5.560 -2.934
29 HD13 ILE 4 2HD1 ILE 4 8.541 -4.358 -2.003
30 H ARG 5 H ARG 5 10.181 -6.920 -6.005
31 HA ARG 5 HA ARG 5 9.155 -7.563 -8.657
32 HB2 ARG 5 2HB ARG 5 11.400 -8.005 -9.283
33 HB3 ARG 5 3HB ARG 5 11.449 -6.565 -8.274
34 HG2 ARG 5 2HG ARG 5 11.951 -8.212 -6.350
35 HG3 ARG 5 3HG ARG 5 12.356 -9.342 -7.644
36 HD2 ARG 5 2HD ARG 5 13.808 -7.379 -8.538
37 HD3 ARG 5 3HD ARG 5 13.677 -6.767 -6.890
38 HE ARG 5 HE ARG 5 14.497 -9.497 -6.955
39 HH11 ARG 5 1HH1 ARG 5 15.618 -6.223 -7.333
40 HH12 ARG 5 2HH1 ARG 5 17.251 -6.593 -6.888
41 HH21 ARG 5 1HH2 ARG 5 16.643 -9.997 -6.368
42 HH22 ARG 5 2HH2 ARG 5 17.833 -8.740 -6.340
43 H ARG 6 H ARG 6 9.914 -9.091 -5.638
44 HA ARG 6 HA ARG 6 9.629 -11.755 -6.829
45 HB2 ARG 6 2HB ARG 6 11.550 -11.542 -5.400
46 HB3 ARG 6 3HB ARG 6 10.577 -10.851 -4.109
47 HG2 ARG 6 2HG ARG 6 11.156 -13.167 -3.645
48 HG3 ARG 6 3HG ARG 6 9.413 -12.970 -3.831
49 HD2 ARG 6 2HD ARG 6 9.560 -13.799 -6.123
50 HD3 ARG 6 3HD ARG 6 11.306 -13.975 -5.954
51 HE ARG 6 HE ARG 6 9.832 -15.427 -3.971
52 HH11 ARG 6 1HH1 ARG 6 11.050 -15.506 -7.231
53 HH12 ARG 6 2HH1 ARG 6 11.099 -17.236 -7.310
54 HH21 ARG 6 1HH2 ARG 6 9.892 -17.706 -4.063
55 HH22 ARG 6 2HH2 ARG 6 10.439 -18.486 -5.508
56 H LYS 7 H LYS 7 7.633 -12.531 -6.915
57 HA LYS 7 HA LYS 7 5.706 -11.747 -4.840
58 HB2 LYS 7 2HB LYS 7 3.970 -12.457 -6.423
59 HB3 LYS 7 3HB LYS 7 5.019 -11.234 -7.126
60 HG2 LYS 7 2HG LYS 7 4.871 -12.700 -8.865
61 HG3 LYS 7 3HG LYS 7 6.306 -13.327 -8.051
62 HD2 LYS 7 2HD LYS 7 5.309 -15.285 -7.708
63 HD3 LYS 7 3HD LYS 7 3.950 -14.496 -6.905
64 HE2 LYS 7 2HE LYS 7 2.746 -14.286 -8.897
65 HE3 LYS 7 3HE LYS 7 4.176 -14.544 -9.895
66 HZ1 LYS 7 3HZ LYS 7 4.061 -16.843 -8.542
67 HZ2 LYS 7 1HZ LYS 7 3.349 -16.608 -10.059
68 HZ3 LYS 7 2HZ LYS 7 2.413 -16.478 -8.657
69 HA PRO 8 HA PRO 8 5.567 -15.785 -3.121
70 HB2 PRO 8 2HB PRO 8 2.962 -15.949 -2.378
71 HB3 PRO 8 3HB PRO 8 4.138 -14.932 -1.538
72 HG2 PRO 8 2HG PRO 8 2.103 -14.169 -3.597
73 HG3 PRO 8 3HG PRO 8 2.545 -13.333 -2.097
74 HD2 PRO 8 2HD PRO 8 3.465 -12.558 -4.523
75 HD3 PRO 8 3HD PRO 8 4.418 -12.373 -3.037
76 H LYS 9 H LYS 9 5.468 -17.765 -3.973
77 HA LYS 9 HA LYS 9 3.328 -18.385 -5.892
78 HB2 LYS 9 2HB LYS 9 5.596 -17.844 -6.963
79 HB3 LYS 9 3HB LYS 9 6.155 -19.357 -6.261
80 HG2 LYS 9 2HG LYS 9 3.713 -19.274 -7.989
81 HG3 LYS 9 3HG LYS 9 5.330 -19.353 -8.692
82 HD2 LYS 9 2HD LYS 9 5.428 -21.301 -6.767
83 HD3 LYS 9 3HD LYS 9 3.763 -21.420 -7.341
84 HE2 LYS 9 2HE LYS 9 5.196 -22.892 -8.626
85 HE3 LYS 9 3HE LYS 9 4.591 -21.591 -9.649
86 HZ1 LYS 9 3HZ LYS 9 6.639 -20.711 -9.898
87 HZ2 LYS 9 1HZ LYS 9 7.138 -22.294 -9.566
88 HZ3 LYS 9 2HZ LYS 9 7.149 -21.129 -8.340
89 H PHE 10 H PHE 10 6.079 -19.967 -4.254
90 HA PHE 10 HA PHE 10 4.206 -22.049 -3.343
91 HB2 PHE 10 2HB PHE 10 6.455 -22.351 -5.064
92 HB3 PHE 10 3HB PHE 10 6.840 -23.128 -3.532
93 HD1 PHE 10 HD2 PHE 10 3.948 -22.879 -5.881
94 HD2 PHE 10 HD1 PHE 10 6.322 -25.348 -3.354
95 HE1 PHE 10 HE2 PHE 10 2.613 -24.836 -6.545
96 HE2 PHE 10 HE1 PHE 10 4.991 -27.310 -4.014
97 HZ PHE 10 HZ PHE 10 3.134 -27.055 -5.611
98 H ARG 11 H ARG 11 3.960 -21.225 -1.290
99 HA ARG 11 HA ARG 11 6.283 -21.537 0.457
100 HB2 ARG 11 2HB ARG 11 5.379 -19.413 1.680
101 HB3 ARG 11 3HB ARG 11 6.431 -19.235 0.282
102 HG2 ARG 11 2HG ARG 11 4.610 -17.673 0.131
103 HG3 ARG 11 3HG ARG 11 4.445 -18.893 -1.134
104 HD2 ARG 11 2HD ARG 11 2.643 -19.911 -0.096
105 HD3 ARG 11 3HD ARG 11 3.064 -19.266 1.490
106 HE ARG 11 HE ARG 11 1.895 -17.350 0.994
107 HH11 ARG 11 1HH1 ARG 11 2.324 -19.241 -1.898
108 HH12 ARG 11 2HH1 ARG 11 1.239 -18.278 -2.845
109 HH21 ARG 11 1HH2 ARG 11 0.464 -16.075 -0.243
110 HH22 ARG 11 2HH2 ARG 11 0.182 -16.477 -1.903
111 H LYS 12 H LYS 12 5.727 -21.820 2.703
112 HA LYS 12 HA LYS 12 3.093 -23.063 3.007
113 HB2 LYS 12 2HB LYS 12 5.653 -23.288 4.586
114 HB3 LYS 12 3HB LYS 12 4.133 -23.978 5.140
115 HG2 LYS 12 2HG LYS 12 5.295 -24.648 2.457
116 HG3 LYS 12 3HG LYS 12 5.747 -25.519 3.924
117 HD2 LYS 12 2HD LYS 12 3.165 -25.751 4.239
118 HD3 LYS 12 3HD LYS 12 3.118 -25.423 2.505
119 HE2 LYS 12 2HE LYS 12 4.467 -27.328 2.031
120 HE3 LYS 12 3HE LYS 12 4.830 -27.571 3.739
121 HZ1 LYS 12 3HZ LYS 12 2.873 -28.830 2.376
122 HZ2 LYS 12 1HZ LYS 12 2.015 -27.583 3.132
123 HZ3 LYS 12 2HZ LYS 12 2.926 -28.665 4.059
124 H PHE 13 H PHE 13 5.213 -21.448 5.360
125 HA PHE 13 HA PHE 13 3.068 -20.454 6.896
126 HB2 PHE 13 2HB PHE 13 5.928 -19.470 6.815
127 HB3 PHE 13 3HB PHE 13 4.764 -19.169 8.101
128 HD1 PHE 13 HD2 PHE 13 3.656 -21.439 9.029
129 HD2 PHE 13 HD1 PHE 13 7.484 -21.099 7.199
130 HE1 PHE 13 HE2 PHE 13 4.378 -23.498 10.165
131 HE2 PHE 13 HE1 PHE 13 8.212 -23.158 8.332
132 HZ PHE 13 HZ PHE 13 6.659 -24.360 9.818
133 H LYS 14 H LYS 14 1.772 -18.783 6.557
134 HA LYS 14 HA LYS 14 2.430 -16.875 4.447
135 HB2 LYS 14 2HB LYS 14 -0.097 -17.628 5.882
136 HB3 LYS 14 3HB LYS 14 -0.001 -16.117 4.987
137 HG2 LYS 14 2HG LYS 14 0.863 -18.572 3.580
138 HG3 LYS 14 3HG LYS 14 -0.863 -18.381 3.898
139 HD2 LYS 14 2HD LYS 14 0.847 -16.283 2.569
140 HD3 LYS 14 3HD LYS 14 -0.101 -17.483 1.688
141 HE2 LYS 14 2HE LYS 14 -2.074 -16.599 3.124
142 HE3 LYS 14 3HE LYS 14 -1.035 -15.197 3.380
143 HZ1 LYS 14 3HZ LYS 14 -2.646 -15.100 1.448
144 HZ2 LYS 14 1HZ LYS 14 -1.640 -16.217 0.671
145 HZ3 LYS 14 2HZ LYS 14 -1.038 -14.699 1.111
146 H LEU 15 H LEU 15 2.769 -14.734 4.772
147 HA LEU 15 HA LEU 15 3.435 -12.859 5.882
148 HB2 LEU 15 2HB LEU 15 0.960 -13.721 7.311
149 HB3 LEU 15 3HB LEU 15 1.878 -12.345 7.918
150 HG LEU 15 HG LEU 15 -0.014 -11.663 6.512
151 HD11 LEU 15 1HD1 LEU 15 1.386 -9.936 6.294
152 HD12 LEU 15 2HD1 LEU 15 1.697 -10.575 4.680
153 HD13 LEU 15 3HD1 LEU 15 2.780 -10.978 6.012
154 HD21 LEU 15 3HD2 LEU 15 -0.398 -12.406 4.409
155 HD22 LEU 15 1HD2 LEU 15 0.482 -13.816 4.999
156 HD23 LEU 15 2HD2 LEU 15 1.317 -12.593 4.042
157 H TYR 16 H TYR 16 4.823 -15.241 6.590
158 HA TYR 16 HA TYR 16 5.132 -15.671 9.322
159 HB2 TYR 16 2HB TYR 16 7.525 -16.358 8.626
160 HB3 TYR 16 3HB TYR 16 6.169 -17.247 7.940
161 HD1 TYR 16 HD2 TYR 16 7.986 -14.082 7.101
162 HD2 TYR 16 HD1 TYR 16 6.485 -17.822 5.737
163 HE1 TYR 16 HE2 TYR 16 8.810 -13.581 4.838
164 HE2 TYR 16 HE1 TYR 16 7.306 -17.332 3.471
165 HH TYR 16 HH TYR 16 9.127 -15.870 2.449
166 H HIS 17 H HIS 17 7.536 -15.237 10.261
167 HA HIS 17 HA HIS 17 7.640 -12.348 10.569
168 HB2 HIS 17 2HB HIS 17 7.685 -13.785 12.570
169 HB3 HIS 17 3HB HIS 17 9.180 -14.523 12.003
170 HD1 HIS 17 HD1 HIS 17 8.942 -10.878 11.507
171 HD2 HIS 17 HD2 HIS 17 10.369 -13.496 14.401
172 HE1 HIS 17 HE1 HIS 17 10.402 -9.488 13.010
173 H GLU 18 H GLU 18 8.415 -12.259 8.244
174 HA GLU 18 HA GLU 18 11.298 -11.958 8.281
175 HB2 GLU 18 2HB GLU 18 10.212 -14.290 7.212
176 HB3 GLU 18 3HB GLU 18 10.523 -13.276 5.810
177 HG2 GLU 18 2HG GLU 18 12.839 -13.049 6.431
178 HG3 GLU 18 3HG GLU 18 12.558 -13.941 7.924
179 H GLY 19 H GLY 19 10.975 -9.759 8.031
180 HA2 GLY 19 2HA GLY 19 10.793 -7.818 6.814
181 HA3 GLY 19 3HA GLY 19 10.699 -8.818 5.371
182 H LYS 20 H LYS 20 9.102 -6.533 7.048
183 HA LYS 20 HA LYS 20 6.417 -7.560 6.822
184 HB2 LYS 20 2HB LYS 20 7.685 -5.054 7.792
185 HB3 LYS 20 3HB LYS 20 6.018 -4.943 7.243
186 HG2 LYS 20 2HG LYS 20 5.519 -6.871 8.805
187 HG3 LYS 20 3HG LYS 20 7.128 -6.609 9.481
188 HD2 LYS 20 2HD LYS 20 5.258 -4.296 9.222
189 HD3 LYS 20 3HD LYS 20 5.030 -5.448 10.541
190 HE2 LYS 20 2HE LYS 20 7.323 -5.068 11.279
191 HE3 LYS 20 3HE LYS 20 7.579 -3.948 9.942
192 HZ1 LYS 20 3HZ LYS 20 6.123 -3.562 12.433
193 HZ2 LYS 20 1HZ LYS 20 5.449 -2.850 11.055
194 HZ3 LYS 20 2HZ LYS 20 7.026 -2.458 11.524
195 H PHE 21 H PHE 21 6.105 -8.028 4.650
196 HA PHE 21 HA PHE 21 5.074 -5.993 3.038
197 HB2 PHE 21 2HB PHE 21 7.790 -5.840 2.967
198 HB3 PHE 21 3HB PHE 21 7.485 -6.932 1.619
199 HD1 PHE 21 HD2 PHE 21 5.197 -6.023 0.286
200 HD2 PHE 21 HD1 PHE 21 8.161 -3.698 2.267
201 HE1 PHE 21 HE2 PHE 21 4.640 -4.100 -1.144
202 HE2 PHE 21 HE1 PHE 21 7.608 -1.771 0.840
203 HZ PHE 21 HZ PHE 21 5.847 -1.971 -0.869
204 H TRP 22 H TRP 22 3.447 -7.235 2.352
205 HA TRP 22 HA TRP 22 4.126 -9.644 0.813
206 HB2 TRP 22 2HB TRP 22 2.239 -9.403 3.117
207 HB3 TRP 22 3HB TRP 22 1.822 -10.496 1.800
208 HD1 TRP 22 HD1 TRP 22 4.719 -9.917 4.307
209 HE1 TRP 22 HE1 TRP 22 5.814 -12.195 4.793
210 HE3 TRP 22 HE3 TRP 22 2.041 -12.815 1.056
211 HZ2 TRP 22 HZ2 TRP 22 5.575 -14.867 3.914
212 HZ3 TRP 22 HZ3 TRP 22 2.536 -15.222 0.939
213 HH2 TRP 22 HH2 TRP 22 4.267 -16.225 2.339
214 H CYS 23 H CYS 23 3.862 -8.169 -0.991
215 HA CYS 23 HA CYS 23 1.377 -8.394 -2.245
216 HB2 CYS 23 2HB CYS 23 0.531 -6.749 -0.707
217 HB3 CYS 23 3HB CYS 23 1.911 -5.694 -0.996
218 HA PRO 24 HA PRO 24 4.765 -7.587 -5.146
219 HB2 PRO 24 2HB PRO 24 3.653 -9.022 -7.164
220 HB3 PRO 24 3HB PRO 24 4.569 -9.766 -5.848
221 HG2 PRO 24 2HG PRO 24 1.605 -9.525 -6.194
222 HG3 PRO 24 3HG PRO 24 2.558 -10.916 -5.643
223 HD2 PRO 24 2HD PRO 24 1.238 -9.285 -3.932
224 HD3 PRO 24 3HD PRO 24 2.762 -10.088 -3.502
Start of MODEL 16
1 H1 THR 1 H THR 1 3.682 1.715 0.661
2 HA THR 1 HA THR 1 3.403 1.207 -2.008
3 HB THR 1 HB THR 1 6.131 1.104 -0.746
4 HG1 THR 1 HG1 THR 1 5.969 3.155 -0.157
5 HG21 THR 1 3HG2 THR 1 5.158 2.525 -3.222
6 HG22 THR 1 1HG2 THR 1 5.824 0.893 -3.230
7 HG23 THR 1 2HG2 THR 1 6.828 2.252 -2.725
8 H CYS 2 H CYS 2 3.634 -0.480 -3.348
9 HA CYS 2 HA CYS 2 4.784 -2.962 -2.250
10 HB2 CYS 2 2HB CYS 2 2.457 -2.672 -4.162
11 HB3 CYS 2 3HB CYS 2 3.177 -4.202 -3.671
12 H HIS 3 H HIS 3 6.366 -3.895 -3.391
13 HA HIS 3 HA HIS 3 7.176 -2.635 -5.893
14 HB2 HIS 3 2HB HIS 3 8.722 -3.225 -3.870
15 HB3 HIS 3 3HB HIS 3 8.698 -4.847 -4.554
16 HD1 HIS 3 HD1 HIS 3 8.693 -3.686 -7.578
17 HD2 HIS 3 HD2 HIS 3 11.409 -2.853 -4.548
18 HE1 HIS 3 HE1 HIS 3 10.795 -2.950 -8.744
19 H ILE 4 H ILE 4 6.811 -3.505 -7.822
20 HA ILE 4 HA ILE 4 5.653 -6.179 -7.964
21 HB ILE 4 HB ILE 4 5.975 -4.148 -10.176
22 HG12 ILE 4 2HG1 ILE 4 3.355 -4.095 -9.693
23 HG13 ILE 4 3HG1 ILE 4 3.893 -4.532 -8.075
24 HG21 ILE 4 1HG2 ILE 4 5.278 -6.875 -10.222
25 HG22 ILE 4 2HG2 ILE 4 3.794 -5.966 -10.506
26 HG23 ILE 4 3HG2 ILE 4 5.197 -5.712 -11.545
27 HD11 ILE 4 3HD1 ILE 4 3.584 -2.028 -8.793
28 HD12 ILE 4 1HD1 ILE 4 4.893 -2.517 -7.717
29 HD13 ILE 4 2HD1 ILE 4 5.213 -2.245 -9.431
30 H ARG 5 H ARG 5 7.834 -7.069 -7.399
31 HA ARG 5 HA ARG 5 9.418 -7.441 -9.855
32 HB2 ARG 5 2HB ARG 5 11.381 -7.806 -8.254
33 HB3 ARG 5 3HB ARG 5 10.831 -6.152 -8.490
34 HG2 ARG 5 2HG ARG 5 9.899 -6.020 -6.378
35 HG3 ARG 5 3HG ARG 5 9.777 -7.773 -6.213
36 HD2 ARG 5 2HD ARG 5 11.547 -6.861 -4.794
37 HD3 ARG 5 3HD ARG 5 12.200 -7.936 -6.029
38 HE ARG 5 HE ARG 5 12.408 -5.492 -7.167
39 HH11 ARG 5 1HH1 ARG 5 13.406 -6.794 -4.097
40 HH12 ARG 5 2HH1 ARG 5 14.776 -5.744 -3.950
41 HH21 ARG 5 1HH2 ARG 5 14.209 -4.105 -6.985
42 HH22 ARG 5 2HH2 ARG 5 15.232 -4.214 -5.593
43 H ARG 6 H ARG 6 8.259 -8.831 -6.833
44 HA ARG 6 HA ARG 6 8.217 -11.457 -8.052
45 HB2 ARG 6 2HB ARG 6 10.432 -11.549 -7.181
46 HB3 ARG 6 3HB ARG 6 9.938 -10.814 -5.662
47 HG2 ARG 6 2HG ARG 6 8.836 -12.776 -4.956
48 HG3 ARG 6 3HG ARG 6 8.920 -13.489 -6.568
49 HD2 ARG 6 2HD ARG 6 11.163 -13.996 -6.371
50 HD3 ARG 6 3HD ARG 6 11.441 -12.754 -5.151
51 HE ARG 6 HE ARG 6 10.834 -14.254 -3.522
52 HH11 ARG 6 1HH1 ARG 6 9.957 -15.509 -6.648
53 HH12 ARG 6 2HH1 ARG 6 9.556 -17.084 -6.048
54 HH21 ARG 6 1HH2 ARG 6 10.310 -16.323 -2.720
55 HH22 ARG 6 2HH2 ARG 6 9.756 -17.546 -3.813
56 H LYS 7 H LYS 7 6.525 -12.624 -7.353
57 HA LYS 7 HA LYS 7 5.013 -11.565 -5.060
58 HB2 LYS 7 2HB LYS 7 3.130 -12.975 -6.184
59 HB3 LYS 7 3HB LYS 7 3.562 -11.410 -6.860
60 HG2 LYS 7 2HG LYS 7 4.958 -13.807 -7.913
61 HG3 LYS 7 3HG LYS 7 3.271 -13.556 -8.368
62 HD2 LYS 7 2HD LYS 7 4.205 -11.086 -8.804
63 HD3 LYS 7 3HD LYS 7 5.688 -12.001 -9.082
64 HE2 LYS 7 2HE LYS 7 3.054 -12.622 -10.407
65 HE3 LYS 7 3HE LYS 7 4.296 -11.598 -11.125
66 HZ1 LYS 7 3HZ LYS 7 4.214 -14.478 -10.838
67 HZ2 LYS 7 1HZ LYS 7 5.712 -13.771 -10.493
68 HZ3 LYS 7 2HZ LYS 7 4.990 -13.527 -12.002
69 HA PRO 8 HA PRO 8 5.494 -15.281 -2.777
70 HB2 PRO 8 2HB PRO 8 3.055 -15.562 -1.619
71 HB3 PRO 8 3HB PRO 8 4.213 -14.319 -1.131
72 HG2 PRO 8 2HG PRO 8 1.834 -14.089 -2.934
73 HG3 PRO 8 3HG PRO 8 2.384 -12.984 -1.661
74 HD2 PRO 8 2HD PRO 8 2.858 -12.530 -4.288
75 HD3 PRO 8 3HD PRO 8 3.983 -12.020 -3.013
76 H LYS 9 H LYS 9 5.509 -17.371 -3.313
77 HA LYS 9 HA LYS 9 3.168 -18.694 -4.349
78 HB2 LYS 9 2HB LYS 9 4.133 -19.412 -6.448
79 HB3 LYS 9 3HB LYS 9 4.134 -17.654 -6.381
80 HG2 LYS 9 2HG LYS 9 6.296 -17.662 -6.836
81 HG3 LYS 9 3HG LYS 9 6.600 -18.513 -5.320
82 HD2 LYS 9 2HD LYS 9 5.928 -20.627 -6.671
83 HD3 LYS 9 3HD LYS 9 6.264 -19.620 -8.082
84 HE2 LYS 9 2HE LYS 9 8.414 -19.245 -6.311
85 HE3 LYS 9 3HE LYS 9 8.094 -20.978 -6.335
86 HZ1 LYS 9 3HZ LYS 9 9.458 -19.496 -8.231
87 HZ2 LYS 9 1HZ LYS 9 7.995 -19.935 -8.960
88 HZ3 LYS 9 2HZ LYS 9 9.016 -21.127 -8.327
89 H PHE 10 H PHE 10 3.244 -20.907 -4.095
90 HA PHE 10 HA PHE 10 3.861 -22.846 -3.070
91 HB2 PHE 10 2HB PHE 10 5.410 -22.697 -5.111
92 HB3 PHE 10 3HB PHE 10 6.667 -22.224 -3.972
93 HD1 PHE 10 HD1 PHE 10 4.244 -24.922 -4.744
94 HD2 PHE 10 HD2 PHE 10 7.858 -23.832 -2.779
95 HE1 PHE 10 HE1 PHE 10 4.694 -27.293 -4.267
96 HE2 PHE 10 HE2 PHE 10 8.315 -26.202 -2.299
97 HZ PHE 10 HZ PHE 10 6.733 -27.936 -3.043
98 H ARG 11 H ARG 11 3.532 -21.159 -1.146
99 HA ARG 11 HA ARG 11 5.942 -21.333 0.542
100 HB2 ARG 11 2HB ARG 11 5.167 -19.352 1.728
101 HB3 ARG 11 3HB ARG 11 5.327 -19.011 0.011
102 HG2 ARG 11 2HG ARG 11 2.674 -19.851 1.068
103 HG3 ARG 11 3HG ARG 11 3.236 -18.203 1.359
104 HD2 ARG 11 2HD ARG 11 3.781 -18.372 -1.247
105 HD3 ARG 11 3HD ARG 11 2.457 -19.534 -1.172
106 HE ARG 11 HE ARG 11 1.898 -17.012 0.105
107 HH11 ARG 11 1HH1 ARG 11 1.807 -18.824 -2.866
108 HH12 ARG 11 2HH1 ARG 11 0.557 -17.853 -3.572
109 HH21 ARG 11 1HH2 ARG 11 0.252 -15.727 -0.813
110 HH22 ARG 11 2HH2 ARG 11 -0.326 -16.091 -2.403
111 H LYS 12 H LYS 12 5.706 -21.998 2.673
112 HA LYS 12 HA LYS 12 3.443 -23.714 3.166
113 HB2 LYS 12 2HB LYS 12 5.568 -24.564 3.832
114 HB3 LYS 12 3HB LYS 12 5.950 -23.097 4.724
115 HG2 LYS 12 2HG LYS 12 4.729 -23.711 6.533
116 HG3 LYS 12 3HG LYS 12 3.548 -24.604 5.573
117 HD2 LYS 12 2HD LYS 12 4.651 -26.321 6.642
118 HD3 LYS 12 3HD LYS 12 5.563 -26.214 5.134
119 HE2 LYS 12 2HE LYS 12 7.015 -24.515 6.523
120 HE3 LYS 12 3HE LYS 12 6.335 -25.391 7.893
121 HZ1 LYS 12 3HZ LYS 12 7.342 -27.097 5.803
122 HZ2 LYS 12 1HZ LYS 12 7.600 -27.165 7.474
123 HZ3 LYS 12 2HZ LYS 12 8.533 -26.130 6.516
124 H PHE 13 H PHE 13 4.983 -21.407 5.392
125 HA PHE 13 HA PHE 13 2.401 -20.863 6.600
126 HB2 PHE 13 2HB PHE 13 5.245 -20.222 7.307
127 HB3 PHE 13 3HB PHE 13 3.929 -19.339 8.075
128 HD1 PHE 13 HD1 PHE 13 2.095 -20.748 9.210
129 HD2 PHE 13 HD2 PHE 13 5.938 -22.253 8.168
130 HE1 PHE 13 HE1 PHE 13 1.817 -22.574 10.836
131 HE2 PHE 13 HE2 PHE 13 5.666 -24.081 9.792
132 HZ PHE 13 HZ PHE 13 3.603 -24.244 11.128
133 H LYS 14 H LYS 14 1.378 -18.883 6.657
134 HA LYS 14 HA LYS 14 2.204 -17.005 4.565
135 HB2 LYS 14 2HB LYS 14 -0.419 -17.481 5.973
136 HB3 LYS 14 3HB LYS 14 -0.142 -16.074 4.955
137 HG2 LYS 14 2HG LYS 14 0.232 -18.889 3.975
138 HG3 LYS 14 3HG LYS 14 -1.304 -18.027 3.869
139 HD2 LYS 14 2HD LYS 14 1.125 -16.663 2.837
140 HD3 LYS 14 3HD LYS 14 0.469 -18.002 1.892
141 HE2 LYS 14 2HE LYS 14 -1.223 -15.712 2.861
142 HE3 LYS 14 3HE LYS 14 -0.375 -15.679 1.315
143 HZ1 LYS 14 3HZ LYS 14 -1.572 -17.898 0.913
144 HZ2 LYS 14 1HZ LYS 14 -2.462 -16.467 0.766
145 HZ3 LYS 14 2HZ LYS 14 -2.605 -17.412 2.162
146 H LEU 15 H LEU 15 2.603 -14.866 4.955
147 HA LEU 15 HA LEU 15 3.377 -13.075 6.132
148 HB2 LEU 15 2HB LEU 15 0.897 -13.886 7.591
149 HB3 LEU 15 3HB LEU 15 1.885 -12.562 8.206
150 HG LEU 15 HG LEU 15 0.013 -11.730 6.892
151 HD11 LEU 15 1HD1 LEU 15 1.421 -10.072 6.461
152 HD12 LEU 15 2HD1 LEU 15 1.806 -10.868 4.936
153 HD13 LEU 15 3HD1 LEU 15 2.789 -11.182 6.366
154 HD21 LEU 15 3HD2 LEU 15 0.115 -13.874 5.390
155 HD22 LEU 15 1HD2 LEU 15 1.180 -12.877 4.399
156 HD23 LEU 15 2HD2 LEU 15 -0.468 -12.345 4.731
157 H TYR 16 H TYR 16 4.608 -15.603 6.733
158 HA TYR 16 HA TYR 16 4.959 -16.102 9.451
159 HB2 TYR 16 2HB TYR 16 7.258 -16.984 8.674
160 HB3 TYR 16 3HB TYR 16 5.813 -17.738 8.009
161 HD1 TYR 16 HD1 TYR 16 7.888 -14.732 7.178
162 HD2 TYR 16 HD2 TYR 16 6.010 -18.288 5.786
163 HE1 TYR 16 HE1 TYR 16 8.697 -14.262 4.904
164 HE2 TYR 16 HE2 TYR 16 6.815 -17.828 3.508
165 HH TYR 16 HH TYR 16 8.360 -14.809 2.680
166 H HIS 17 H HIS 17 7.446 -15.892 10.286
167 HA HIS 17 HA HIS 17 7.806 -13.018 10.607
168 HB2 HIS 17 2HB HIS 17 7.737 -14.437 12.617
169 HB3 HIS 17 3HB HIS 17 9.141 -15.328 12.035
170 HD1 HIS 17 HD1 HIS 17 11.285 -14.554 12.977
171 HD2 HIS 17 HD2 HIS 17 8.440 -11.526 12.938
172 HE1 HIS 17 HE1 HIS 17 12.389 -12.580 14.077
173 H GLU 18 H GLU 18 8.558 -12.999 8.279
174 HA GLU 18 HA GLU 18 11.459 -13.003 8.277
175 HB2 GLU 18 2HB GLU 18 10.147 -15.207 7.232
176 HB3 GLU 18 3HB GLU 18 10.467 -14.216 5.816
177 HG2 GLU 18 2HG GLU 18 12.848 -14.124 6.463
178 HG3 GLU 18 3HG GLU 18 12.494 -15.210 7.805
179 H GLY 19 H GLY 19 11.417 -10.791 8.026
180 HA2 GLY 19 2HA GLY 19 11.361 -8.808 6.872
181 HA3 GLY 19 3HA GLY 19 11.249 -9.776 5.409
182 H LYS 20 H LYS 20 9.603 -7.721 7.566
183 HA LYS 20 HA LYS 20 6.931 -8.454 7.026
184 HB2 LYS 20 2HB LYS 20 8.103 -6.715 8.737
185 HB3 LYS 20 3HB LYS 20 7.502 -5.594 7.522
186 HG2 LYS 20 2HG LYS 20 5.637 -7.664 8.543
187 HG3 LYS 20 3HG LYS 20 6.049 -6.314 9.604
188 HD2 LYS 20 2HD LYS 20 5.449 -4.791 7.669
189 HD3 LYS 20 3HD LYS 20 4.765 -6.217 6.883
190 HE2 LYS 20 2HE LYS 20 3.965 -5.284 9.633
191 HE3 LYS 20 3HE LYS 20 3.129 -4.795 8.160
192 HZ1 LYS 20 3HZ LYS 20 3.509 -7.648 8.471
193 HZ2 LYS 20 1HZ LYS 20 2.147 -6.785 7.958
194 HZ3 LYS 20 2HZ LYS 20 2.477 -6.941 9.609
195 H PHE 21 H PHE 21 6.659 -8.784 4.822
196 HA PHE 21 HA PHE 21 5.884 -6.528 3.308
197 HB2 PHE 21 2HB PHE 21 8.576 -6.796 3.219
198 HB3 PHE 21 3HB PHE 21 8.117 -7.832 1.871
199 HD1 PHE 21 HD1 PHE 21 6.054 -6.626 0.469
200 HD2 PHE 21 HD2 PHE 21 9.214 -4.702 2.573
201 HE1 PHE 21 HE1 PHE 21 5.800 -4.646 -0.969
202 HE2 PHE 21 HE2 PHE 21 8.965 -2.718 1.139
203 HZ PHE 21 HZ PHE 21 7.256 -2.688 -0.634
204 H TRP 22 H TRP 22 4.055 -7.492 2.659
205 HA TRP 22 HA TRP 22 4.316 -9.900 0.998
206 HB2 TRP 22 2HB TRP 22 2.508 -9.480 3.351
207 HB3 TRP 22 3HB TRP 22 1.978 -10.504 2.020
208 HD1 TRP 22 HD1 TRP 22 4.821 -10.290 4.628
209 HE1 TRP 22 HE1 TRP 22 5.703 -12.672 5.046
210 HE3 TRP 22 HE3 TRP 22 2.083 -12.798 1.114
211 HZ2 TRP 22 HZ2 TRP 22 5.293 -15.270 4.021
212 HZ3 TRP 22 HZ3 TRP 22 2.387 -15.230 0.897
213 HH2 TRP 22 HH2 TRP 22 3.960 -16.438 2.320
214 H CYS 23 H CYS 23 4.217 -8.308 -0.726
215 HA CYS 23 HA CYS 23 1.690 -8.110 -1.895
216 HB2 CYS 23 2HB CYS 23 1.160 -6.444 -0.226
217 HB3 CYS 23 3HB CYS 23 2.648 -5.567 -0.569
218 HA PRO 24 HA PRO 24 5.068 -7.641 -4.880
219 HB2 PRO 24 2HB PRO 24 3.697 -8.788 -6.923
220 HB3 PRO 24 3HB PRO 24 4.534 -9.727 -5.681
221 HG2 PRO 24 2HG PRO 24 1.628 -9.043 -5.901
222 HG3 PRO 24 3HG PRO 24 2.384 -10.584 -5.457
223 HD2 PRO 24 2HD PRO 24 1.369 -8.875 -3.618
224 HD3 PRO 24 3HD PRO 24 2.771 -9.912 -3.286
Start of MODEL 17
1 H1 THR 1 H THR 1 3.108 0.791 0.455
2 HA THR 1 HA THR 1 2.208 0.968 -2.347
3 HB THR 1 HB THR 1 4.493 1.479 -3.028
4 HG1 THR 1 HG1 THR 1 6.117 1.309 -1.669
5 HG21 THR 1 3HG2 THR 1 3.592 3.335 -0.823
6 HG22 THR 1 1HG2 THR 1 2.965 3.338 -2.470
7 HG23 THR 1 2HG2 THR 1 4.654 3.744 -2.169
8 H CYS 2 H CYS 2 2.973 -0.634 -3.781
9 HA CYS 2 HA CYS 2 4.045 -3.038 -2.454
10 HB2 CYS 2 2HB CYS 2 2.046 -2.862 -4.718
11 HB3 CYS 2 3HB CYS 2 2.767 -4.359 -4.137
12 H HIS 3 H HIS 3 5.978 -1.522 -3.256
13 HA HIS 3 HA HIS 3 6.656 -1.983 -6.039
14 HB2 HIS 3 2HB HIS 3 7.174 0.158 -4.756
15 HB3 HIS 3 3HB HIS 3 8.429 -0.759 -3.927
16 HD1 HIS 3 HD1 HIS 3 10.560 0.059 -4.892
17 HD2 HIS 3 HD2 HIS 3 7.698 -0.648 -7.820
18 HE1 HIS 3 HE1 HIS 3 11.734 0.433 -7.084
19 H ILE 4 H ILE 4 6.912 -4.208 -6.195
20 HA ILE 4 HA ILE 4 9.475 -5.226 -5.663
21 HB ILE 4 HB ILE 4 8.715 -5.347 -3.344
22 HG12 ILE 4 2HG1 ILE 4 9.080 -7.793 -2.989
23 HG13 ILE 4 3HG1 ILE 4 8.924 -8.030 -4.727
24 HG21 ILE 4 1HG2 ILE 4 6.724 -7.453 -3.867
25 HG22 ILE 4 2HG2 ILE 4 6.728 -6.165 -2.663
26 HG23 ILE 4 3HG2 ILE 4 6.249 -5.818 -4.324
27 HD11 ILE 4 3HD1 ILE 4 11.241 -7.469 -3.281
28 HD12 ILE 4 1HD1 ILE 4 11.052 -7.525 -5.034
29 HD13 ILE 4 2HD1 ILE 4 10.867 -5.995 -4.175
30 H ARG 5 H ARG 5 9.863 -6.843 -7.048
31 HA ARG 5 HA ARG 5 7.693 -7.815 -8.686
32 HB2 ARG 5 2HB ARG 5 9.443 -8.883 -10.013
33 HB3 ARG 5 3HB ARG 5 9.841 -7.199 -9.701
34 HG2 ARG 5 2HG ARG 5 11.329 -7.942 -7.864
35 HG3 ARG 5 3HG ARG 5 10.996 -9.613 -8.324
36 HD2 ARG 5 2HD ARG 5 13.118 -8.716 -9.259
37 HD3 ARG 5 3HD ARG 5 11.980 -9.277 -10.484
38 HE ARG 5 HE ARG 5 11.762 -6.470 -9.935
39 HH11 ARG 5 1HH1 ARG 5 13.475 -8.891 -11.759
40 HH12 ARG 5 2HH1 ARG 5 13.948 -7.796 -13.016
41 HH21 ARG 5 1HH2 ARG 5 12.378 -5.019 -11.584
42 HH22 ARG 5 2HH2 ARG 5 13.324 -5.594 -12.915
43 H ARG 6 H ARG 6 9.880 -9.092 -6.242
44 HA ARG 6 HA ARG 6 9.440 -11.808 -6.517
45 HB2 ARG 6 2HB ARG 6 10.127 -10.040 -4.212
46 HB3 ARG 6 3HB ARG 6 9.697 -11.714 -3.883
47 HG2 ARG 6 2HG ARG 6 11.759 -11.085 -5.948
48 HG3 ARG 6 3HG ARG 6 12.180 -11.062 -4.234
49 HD2 ARG 6 2HD ARG 6 10.722 -13.407 -5.373
50 HD3 ARG 6 3HD ARG 6 12.459 -13.250 -5.632
51 HE ARG 6 HE ARG 6 11.158 -14.023 -3.224
52 HH11 ARG 6 1HH1 ARG 6 13.920 -12.305 -4.465
53 HH12 ARG 6 2HH1 ARG 6 14.891 -12.587 -3.058
54 HH21 ARG 6 1HH2 ARG 6 12.427 -14.401 -1.367
55 HH22 ARG 6 2HH2 ARG 6 14.041 -13.781 -1.297
56 H LYS 7 H LYS 7 7.442 -12.593 -6.876
57 HA LYS 7 HA LYS 7 5.300 -11.844 -5.001
58 HB2 LYS 7 2HB LYS 7 3.733 -12.645 -6.715
59 HB3 LYS 7 3HB LYS 7 4.777 -11.373 -7.338
60 HG2 LYS 7 2HG LYS 7 4.844 -12.848 -9.074
61 HG3 LYS 7 3HG LYS 7 6.234 -13.405 -8.140
62 HD2 LYS 7 2HD LYS 7 5.309 -15.418 -7.968
63 HD3 LYS 7 3HD LYS 7 3.923 -14.711 -7.132
64 HE2 LYS 7 2HE LYS 7 3.134 -15.921 -9.051
65 HE3 LYS 7 3HE LYS 7 2.921 -14.195 -9.343
66 HZ1 LYS 7 3HZ LYS 7 4.587 -14.162 -10.901
67 HZ2 LYS 7 1HZ LYS 7 3.937 -15.701 -11.171
68 HZ3 LYS 7 2HZ LYS 7 5.366 -15.530 -10.283
69 HA PRO 8 HA PRO 8 5.203 -15.875 -3.265
70 HB2 PRO 8 2HB PRO 8 2.555 -16.153 -2.733
71 HB3 PRO 8 3HB PRO 8 3.613 -15.080 -1.809
72 HG2 PRO 8 2HG PRO 8 1.719 -14.420 -4.033
73 HG3 PRO 8 3HG PRO 8 2.001 -13.556 -2.509
74 HD2 PRO 8 2HD PRO 8 3.079 -12.754 -4.860
75 HD3 PRO 8 3HD PRO 8 3.900 -12.518 -3.303
76 H LYS 9 H LYS 9 5.268 -17.859 -4.112
77 HA LYS 9 HA LYS 9 3.295 -18.608 -6.155
78 HB2 LYS 9 2HB LYS 9 5.507 -17.901 -7.170
79 HB3 LYS 9 3HB LYS 9 6.226 -19.294 -6.373
80 HG2 LYS 9 2HG LYS 9 4.020 -20.319 -7.714
81 HG3 LYS 9 3HG LYS 9 4.723 -19.147 -8.831
82 HD2 LYS 9 2HD LYS 9 6.822 -20.243 -8.803
83 HD3 LYS 9 3HD LYS 9 6.367 -21.234 -7.415
84 HE2 LYS 9 2HE LYS 9 5.251 -22.724 -8.687
85 HE3 LYS 9 3HE LYS 9 4.616 -21.483 -9.766
86 HZ1 LYS 9 3HZ LYS 9 6.054 -22.625 -11.125
87 HZ2 LYS 9 1HZ LYS 9 7.180 -22.920 -9.896
88 HZ3 LYS 9 2HZ LYS 9 7.056 -21.376 -10.577
89 H PHE 10 H PHE 10 5.771 -19.686 -3.869
90 HA PHE 10 HA PHE 10 4.109 -21.986 -3.210
91 HB2 PHE 10 2HB PHE 10 5.916 -22.534 -5.020
92 HB3 PHE 10 3HB PHE 10 7.032 -22.478 -3.660
93 HD1 PHE 10 HD2 PHE 10 3.822 -24.049 -4.704
94 HD2 PHE 10 HD1 PHE 10 7.401 -24.388 -2.425
95 HE1 PHE 10 HE2 PHE 10 3.237 -26.371 -4.136
96 HE2 PHE 10 HE1 PHE 10 6.822 -26.710 -1.855
97 HZ PHE 10 HZ PHE 10 4.737 -27.704 -2.710
98 H ARG 11 H ARG 11 3.758 -21.480 -1.130
99 HA ARG 11 HA ARG 11 6.025 -21.510 0.678
100 HB2 ARG 11 2HB ARG 11 4.911 -19.435 1.849
101 HB3 ARG 11 3HB ARG 11 6.063 -19.214 0.538
102 HG2 ARG 11 2HG ARG 11 4.147 -17.749 0.273
103 HG3 ARG 11 3HG ARG 11 4.222 -18.928 -1.038
104 HD2 ARG 11 2HD ARG 11 2.433 -20.168 -0.178
105 HD3 ARG 11 3HD ARG 11 2.567 -19.421 1.414
106 HE ARG 11 HE ARG 11 1.939 -17.328 -0.148
107 HH11 ARG 11 1HH1 ARG 11 0.553 -20.505 0.179
108 HH12 ARG 11 2HH1 ARG 11 -1.050 -19.991 -0.233
109 HH21 ARG 11 1HH2 ARG 11 -0.167 -16.639 -0.691
110 HH22 ARG 11 2HH2 ARG 11 -1.458 -17.791 -0.729
111 H LYS 12 H LYS 12 5.406 -21.815 2.906
112 HA LYS 12 HA LYS 12 2.848 -23.221 3.121
113 HB2 LYS 12 2HB LYS 12 5.444 -23.340 4.597
114 HB3 LYS 12 3HB LYS 12 3.978 -23.842 5.428
115 HG2 LYS 12 2HG LYS 12 3.540 -25.481 3.670
116 HG3 LYS 12 3HG LYS 12 5.015 -24.979 2.839
117 HD2 LYS 12 2HD LYS 12 5.078 -25.922 5.687
118 HD3 LYS 12 3HD LYS 12 5.105 -27.068 4.344
119 HE2 LYS 12 2HE LYS 12 7.007 -24.791 4.255
120 HE3 LYS 12 3HE LYS 12 7.327 -26.076 5.419
121 HZ1 LYS 12 3HZ LYS 12 8.200 -27.241 3.769
122 HZ2 LYS 12 1HZ LYS 12 7.765 -26.066 2.632
123 HZ3 LYS 12 2HZ LYS 12 6.685 -27.308 3.019
124 H PHE 13 H PHE 13 4.746 -21.432 5.537
125 HA PHE 13 HA PHE 13 2.406 -20.519 6.878
126 HB2 PHE 13 2HB PHE 13 5.332 -19.835 7.148
127 HB3 PHE 13 3HB PHE 13 4.092 -19.078 8.143
128 HD1 PHE 13 HD1 PHE 13 5.527 -22.368 7.210
129 HD2 PHE 13 HD2 PHE 13 3.314 -20.126 10.072
130 HE1 PHE 13 HE1 PHE 13 5.632 -24.265 8.773
131 HE2 PHE 13 HE2 PHE 13 3.417 -22.019 11.640
132 HZ PHE 13 HZ PHE 13 4.578 -24.092 10.991
133 H LYS 14 H LYS 14 1.307 -18.652 6.707
134 HA LYS 14 HA LYS 14 2.075 -16.836 4.549
135 HB2 LYS 14 2HB LYS 14 -0.481 -17.442 5.981
136 HB3 LYS 14 3HB LYS 14 -0.298 -15.888 5.178
137 HG2 LYS 14 2HG LYS 14 0.387 -18.311 3.620
138 HG3 LYS 14 3HG LYS 14 -1.318 -18.012 3.962
139 HD2 LYS 14 2HD LYS 14 0.301 -15.731 2.972
140 HD3 LYS 14 3HD LYS 14 -0.094 -17.009 1.820
141 HE2 LYS 14 2HE LYS 14 -1.843 -15.465 1.614
142 HE3 LYS 14 3HE LYS 14 -2.502 -16.749 2.627
143 HZ1 LYS 14 3HZ LYS 14 -2.959 -14.425 3.393
144 HZ2 LYS 14 1HZ LYS 14 -1.309 -14.273 3.736
145 HZ3 LYS 14 2HZ LYS 14 -2.239 -15.428 4.549
146 H LEU 15 H LEU 15 2.513 -14.695 4.838
147 HA LEU 15 HA LEU 15 3.328 -12.860 5.915
148 HB2 LEU 15 2HB LEU 15 0.862 -13.574 7.441
149 HB3 LEU 15 3HB LEU 15 1.876 -12.243 7.995
150 HG LEU 15 HG LEU 15 -0.016 -11.455 6.662
151 HD11 LEU 15 1HD1 LEU 15 1.725 -10.587 4.701
152 HD12 LEU 15 2HD1 LEU 15 2.776 -10.948 6.070
153 HD13 LEU 15 3HD1 LEU 15 1.436 -9.818 6.263
154 HD21 LEU 15 3HD2 LEU 15 -0.105 -13.547 5.241
155 HD22 LEU 15 1HD2 LEU 15 1.220 -12.855 4.305
156 HD23 LEU 15 2HD2 LEU 15 -0.330 -12.018 4.390
157 H TYR 16 H TYR 16 4.550 -15.364 6.613
158 HA TYR 16 HA TYR 16 4.942 -15.770 9.332
159 HB2 TYR 16 2HB TYR 16 7.250 -16.638 8.560
160 HB3 TYR 16 3HB TYR 16 5.811 -17.434 7.936
161 HD1 TYR 16 HD1 TYR 16 7.794 -14.405 6.981
162 HD2 TYR 16 HD2 TYR 16 6.024 -18.068 5.736
163 HE1 TYR 16 HE1 TYR 16 8.570 -13.992 4.684
164 HE2 TYR 16 HE2 TYR 16 6.796 -17.666 3.436
165 HH TYR 16 HH TYR 16 8.038 -14.650 2.415
166 H HIS 17 H HIS 17 7.338 -15.479 10.248
167 HA HIS 17 HA HIS 17 7.678 -12.610 10.488
168 HB2 HIS 17 2HB HIS 17 8.568 -15.004 12.007
169 HB3 HIS 17 3HB HIS 17 9.594 -13.575 12.097
170 HD1 HIS 17 HD1 HIS 17 5.821 -14.096 12.317
171 HD2 HIS 17 HD2 HIS 17 8.930 -12.187 14.305
172 HE1 HIS 17 HE1 HIS 17 4.749 -12.910 14.259
173 H GLU 18 H GLU 18 8.372 -12.592 8.137
174 HA GLU 18 HA GLU 18 11.269 -12.491 8.068
175 HB2 GLU 18 2HB GLU 18 9.994 -14.751 7.065
176 HB3 GLU 18 3HB GLU 18 10.307 -13.770 5.640
177 HG2 GLU 18 2HG GLU 18 12.697 -13.578 6.512
178 HG3 GLU 18 3HG GLU 18 12.271 -14.897 7.601
179 H GLY 19 H GLY 19 11.072 -10.272 7.818
180 HA2 GLY 19 2HA GLY 19 10.961 -8.325 6.605
181 HA3 GLY 19 3HA GLY 19 10.800 -9.322 5.167
182 H LYS 20 H LYS 20 9.305 -7.036 7.028
183 HA LYS 20 HA LYS 20 6.585 -7.903 6.767
184 HB2 LYS 20 2HB LYS 20 7.987 -5.482 7.759
185 HB3 LYS 20 3HB LYS 20 6.328 -5.267 7.217
186 HG2 LYS 20 2HG LYS 20 5.702 -7.163 8.754
187 HG3 LYS 20 3HG LYS 20 7.336 -7.052 9.414
188 HD2 LYS 20 2HD LYS 20 6.966 -4.889 10.252
189 HD3 LYS 20 3HD LYS 20 5.527 -4.658 9.256
190 HE2 LYS 20 2HE LYS 20 4.229 -6.056 10.604
191 HE3 LYS 20 3HE LYS 20 5.642 -6.809 11.342
192 HZ1 LYS 20 3HZ LYS 20 5.417 -5.371 12.995
193 HZ2 LYS 20 1HZ LYS 20 4.193 -4.526 12.187
194 HZ3 LYS 20 2HZ LYS 20 5.814 -4.117 11.930
195 H PHE 21 H PHE 21 6.227 -8.330 4.591
196 HA PHE 21 HA PHE 21 5.267 -6.228 3.020
197 HB2 PHE 21 2HB PHE 21 7.980 -6.189 2.912
198 HB3 PHE 21 3HB PHE 21 7.620 -7.265 1.566
199 HD1 PHE 21 HD2 PHE 21 5.433 -6.298 0.182
200 HD2 PHE 21 HD1 PHE 21 8.354 -4.026 2.286
201 HE1 PHE 21 HE2 PHE 21 4.940 -4.352 -1.242
202 HE2 PHE 21 HE1 PHE 21 7.865 -2.077 0.866
203 HZ PHE 21 HZ PHE 21 6.157 -2.239 -0.901
204 H TRP 22 H TRP 22 3.582 -7.361 2.298
205 HA TRP 22 HA TRP 22 4.126 -9.801 0.757
206 HB2 TRP 22 2HB TRP 22 2.244 -9.457 3.051
207 HB3 TRP 22 3HB TRP 22 1.771 -10.520 1.728
208 HD1 TRP 22 HD1 TRP 22 4.723 -10.110 4.212
209 HE1 TRP 22 HE1 TRP 22 5.665 -12.452 4.713
210 HE3 TRP 22 HE3 TRP 22 1.804 -12.856 1.037
211 HZ2 TRP 22 HZ2 TRP 22 5.229 -15.112 3.873
212 HZ3 TRP 22 HZ3 TRP 22 2.130 -15.293 0.946
213 HH2 TRP 22 HH2 TRP 22 3.808 -16.395 2.335
214 H CYS 23 H CYS 23 3.959 -8.308 -1.045
215 HA CYS 23 HA CYS 23 1.472 -8.383 -2.312
216 HB2 CYS 23 2HB CYS 23 0.720 -6.695 -0.770
217 HB3 CYS 23 3HB CYS 23 2.158 -5.721 -1.056
218 HA PRO 24 HA PRO 24 4.918 -7.768 -5.192
219 HB2 PRO 24 2HB PRO 24 3.736 -9.133 -7.220
220 HB3 PRO 24 3HB PRO 24 4.600 -9.931 -5.901
221 HG2 PRO 24 2HG PRO 24 1.657 -9.519 -6.262
222 HG3 PRO 24 3HG PRO 24 2.525 -10.963 -5.709
223 HD2 PRO 24 2HD PRO 24 1.292 -9.262 -4.001
224 HD3 PRO 24 3HD PRO 24 2.765 -10.153 -3.565
Start of MODEL 18
1 H1 THR 1 H THR 1 0.835 2.232 -0.887
2 HA THR 1 HA THR 1 -0.109 0.215 -2.814
3 HB THR 1 HB THR 1 0.059 2.360 -3.977
4 HG1 THR 1 HG1 THR 1 1.378 1.606 -5.637
5 HG21 THR 1 3HG2 THR 1 2.247 3.465 -4.227
6 HG22 THR 1 1HG2 THR 1 2.940 2.330 -3.070
7 HG23 THR 1 2HG2 THR 1 1.694 3.466 -2.553
8 H CYS 2 H CYS 2 1.538 -1.189 -3.663
9 HA CYS 2 HA CYS 2 3.898 -1.389 -1.907
10 HB2 CYS 2 2HB CYS 2 3.772 -3.871 -2.378
11 HB3 CYS 2 3HB CYS 2 2.475 -3.225 -1.378
12 H HIS 3 H HIS 3 5.832 -2.217 -2.847
13 HA HIS 3 HA HIS 3 5.920 -2.322 -5.770
14 HB2 HIS 3 2HB HIS 3 6.485 0.019 -4.837
15 HB3 HIS 3 3HB HIS 3 7.976 -0.722 -4.264
16 HD1 HIS 3 HD1 HIS 3 9.775 -0.038 -5.809
17 HD2 HIS 3 HD2 HIS 3 6.270 -0.965 -7.839
18 HE1 HIS 3 HE1 HIS 3 10.334 0.182 -8.251
19 H ILE 4 H ILE 4 6.588 -4.365 -6.034
20 HA ILE 4 HA ILE 4 9.238 -5.111 -5.469
21 HB ILE 4 HB ILE 4 8.445 -5.322 -3.161
22 HG12 ILE 4 2HG1 ILE 4 9.105 -7.695 -2.800
23 HG13 ILE 4 3HG1 ILE 4 8.982 -7.965 -4.535
24 HG21 ILE 4 1HG2 ILE 4 6.666 -7.590 -3.924
25 HG22 ILE 4 2HG2 ILE 4 6.629 -6.561 -2.493
26 HG23 ILE 4 3HG2 ILE 4 6.060 -5.938 -4.041
27 HD11 ILE 4 3HD1 ILE 4 10.774 -6.397 -4.935
28 HD12 ILE 4 1HD1 ILE 4 10.862 -6.023 -3.214
29 HD13 ILE 4 2HD1 ILE 4 11.290 -7.634 -3.790
30 H ARG 5 H ARG 5 9.813 -6.667 -6.858
31 HA ARG 5 HA ARG 5 7.851 -7.780 -8.618
32 HB2 ARG 5 2HB ARG 5 9.768 -8.873 -9.707
33 HB3 ARG 5 3HB ARG 5 10.051 -7.156 -9.455
34 HG2 ARG 5 2HG ARG 5 11.241 -7.924 -7.286
35 HG3 ARG 5 3HG ARG 5 11.296 -9.497 -8.084
36 HD2 ARG 5 2HD ARG 5 12.342 -8.334 -10.057
37 HD3 ARG 5 3HD ARG 5 12.479 -6.899 -9.042
38 HE ARG 5 HE ARG 5 14.087 -9.284 -8.907
39 HH11 ARG 5 1HH1 ARG 5 12.957 -6.471 -7.196
40 HH12 ARG 5 2HH1 ARG 5 14.282 -6.457 -6.079
41 HH21 ARG 5 1HH2 ARG 5 15.836 -9.277 -7.443
42 HH22 ARG 5 2HH2 ARG 5 15.920 -8.053 -6.221
43 H ARG 6 H ARG 6 9.872 -9.022 -6.002
44 HA ARG 6 HA ARG 6 9.391 -11.742 -6.293
45 HB2 ARG 6 2HB ARG 6 10.059 -9.987 -3.968
46 HB3 ARG 6 3HB ARG 6 9.618 -11.663 -3.667
47 HG2 ARG 6 2HG ARG 6 11.686 -11.098 -5.724
48 HG3 ARG 6 3HG ARG 6 12.120 -10.936 -4.021
49 HD2 ARG 6 2HD ARG 6 11.515 -13.208 -3.583
50 HD3 ARG 6 3HD ARG 6 10.822 -13.388 -5.195
51 HE ARG 6 HE ARG 6 13.510 -12.683 -5.477
52 HH11 ARG 6 1HH1 ARG 6 11.583 -15.335 -4.305
53 HH12 ARG 6 2HH1 ARG 6 12.776 -16.536 -4.672
54 HH21 ARG 6 1HH2 ARG 6 15.089 -14.254 -5.965
55 HH22 ARG 6 2HH2 ARG 6 14.771 -15.920 -5.616
56 H LYS 7 H LYS 7 7.375 -12.466 -6.692
57 HA LYS 7 HA LYS 7 5.224 -11.659 -4.853
58 HB2 LYS 7 2HB LYS 7 3.664 -12.409 -6.593
59 HB3 LYS 7 3HB LYS 7 4.758 -11.173 -7.200
60 HG2 LYS 7 2HG LYS 7 4.810 -12.650 -8.933
61 HG3 LYS 7 3HG LYS 7 6.162 -13.255 -7.973
62 HD2 LYS 7 2HD LYS 7 5.046 -15.138 -7.340
63 HD3 LYS 7 3HD LYS 7 3.469 -14.346 -7.372
64 HE2 LYS 7 2HE LYS 7 3.465 -15.897 -9.156
65 HE3 LYS 7 3HE LYS 7 3.679 -14.307 -9.888
66 HZ1 LYS 7 3HZ LYS 7 6.182 -14.904 -9.674
67 HZ2 LYS 7 1HZ LYS 7 5.274 -15.533 -10.955
68 HZ3 LYS 7 2HZ LYS 7 5.617 -16.498 -9.609
69 HA PRO 8 HA PRO 8 4.985 -15.687 -3.123
70 HB2 PRO 8 2HB PRO 8 2.322 -15.889 -2.634
71 HB3 PRO 8 3HB PRO 8 3.395 -14.847 -1.692
72 HG2 PRO 8 2HG PRO 8 1.557 -14.131 -3.944
73 HG3 PRO 8 3HG PRO 8 1.839 -13.278 -2.416
74 HD2 PRO 8 2HD PRO 8 2.977 -12.504 -4.748
75 HD3 PRO 8 3HD PRO 8 3.779 -12.294 -3.178
76 H LYS 9 H LYS 9 5.005 -17.671 -3.970
77 HA LYS 9 HA LYS 9 3.120 -18.298 -6.145
78 HB2 LYS 9 2HB LYS 9 5.393 -17.905 -7.034
79 HB3 LYS 9 3HB LYS 9 6.013 -19.164 -5.973
80 HG2 LYS 9 2HG LYS 9 3.804 -19.872 -7.823
81 HG3 LYS 9 3HG LYS 9 5.416 -19.632 -8.500
82 HD2 LYS 9 2HD LYS 9 6.086 -21.191 -6.456
83 HD3 LYS 9 3HD LYS 9 4.417 -21.733 -6.651
84 HE2 LYS 9 2HE LYS 9 6.244 -21.542 -9.015
85 HE3 LYS 9 3HE LYS 9 6.309 -22.943 -7.947
86 HZ1 LYS 9 3HZ LYS 9 4.830 -23.429 -9.728
87 HZ2 LYS 9 1HZ LYS 9 3.971 -21.989 -9.504
88 HZ3 LYS 9 2HZ LYS 9 3.888 -23.212 -8.339
89 H PHE 10 H PHE 10 5.586 -20.117 -4.329
90 HA PHE 10 HA PHE 10 3.453 -21.932 -3.420
91 HB2 PHE 10 2HB PHE 10 4.640 -23.077 -5.177
92 HB3 PHE 10 3HB PHE 10 6.194 -22.661 -4.463
93 HD1 PHE 10 HD2 PHE 10 3.070 -24.553 -3.779
94 HD2 PHE 10 HD1 PHE 10 7.234 -24.130 -3.004
95 HE1 PHE 10 HE2 PHE 10 3.045 -26.663 -2.513
96 HE2 PHE 10 HE1 PHE 10 7.216 -26.240 -1.738
97 HZ PHE 10 HZ PHE 10 5.120 -27.508 -1.490
98 H ARG 11 H ARG 11 3.334 -21.054 -1.372
99 HA ARG 11 HA ARG 11 5.643 -21.616 0.348
100 HB2 ARG 11 2HB ARG 11 4.855 -19.467 1.627
101 HB3 ARG 11 3HB ARG 11 5.931 -19.331 0.243
102 HG2 ARG 11 2HG ARG 11 4.199 -17.655 0.123
103 HG3 ARG 11 3HG ARG 11 4.006 -18.820 -1.189
104 HD2 ARG 11 2HD ARG 11 2.154 -19.826 -0.177
105 HD3 ARG 11 3HD ARG 11 2.528 -19.134 1.401
106 HE ARG 11 HE ARG 11 1.435 -17.208 0.787
107 HH11 ARG 11 1HH1 ARG 11 1.927 -19.218 -2.013
108 HH12 ARG 11 2HH1 ARG 11 0.907 -18.263 -3.039
109 HH21 ARG 11 1HH2 ARG 11 0.090 -15.944 -0.553
110 HH22 ARG 11 2HH2 ARG 11 -0.136 -16.401 -2.207
111 H LYS 12 H LYS 12 5.085 -21.845 2.623
112 HA LYS 12 HA LYS 12 2.395 -22.970 2.930
113 HB2 LYS 12 2HB LYS 12 4.894 -23.318 4.595
114 HB3 LYS 12 3HB LYS 12 3.343 -24.062 4.959
115 HG2 LYS 12 2HG LYS 12 3.438 -25.431 3.042
116 HG3 LYS 12 3HG LYS 12 4.779 -24.508 2.359
117 HD2 LYS 12 2HD LYS 12 6.192 -25.251 4.258
118 HD3 LYS 12 3HD LYS 12 4.854 -26.256 4.819
119 HE2 LYS 12 2HE LYS 12 5.810 -26.542 2.008
120 HE3 LYS 12 3HE LYS 12 6.757 -27.258 3.312
121 HZ1 LYS 12 3HZ LYS 12 5.365 -28.962 3.275
122 HZ2 LYS 12 1HZ LYS 12 4.377 -28.207 2.128
123 HZ3 LYS 12 2HZ LYS 12 4.112 -27.943 3.777
124 H PHE 13 H PHE 13 4.623 -21.507 5.283
125 HA PHE 13 HA PHE 13 2.532 -20.402 6.831
126 HB2 PHE 13 2HB PHE 13 5.474 -19.694 6.796
127 HB3 PHE 13 3HB PHE 13 4.329 -19.236 8.053
128 HD1 PHE 13 HD1 PHE 13 2.958 -21.342 9.007
129 HD2 PHE 13 HD2 PHE 13 6.826 -21.482 7.236
130 HE1 PHE 13 HE1 PHE 13 3.423 -23.445 10.197
131 HE2 PHE 13 HE2 PHE 13 7.297 -23.586 8.422
132 HZ PHE 13 HZ PHE 13 5.594 -24.571 9.904
133 H LYS 14 H LYS 14 1.398 -18.602 6.560
134 HA LYS 14 HA LYS 14 2.201 -16.726 4.471
135 HB2 LYS 14 2HB LYS 14 -0.362 -17.368 5.864
136 HB3 LYS 14 3HB LYS 14 -0.168 -15.771 5.154
137 HG2 LYS 14 2HG LYS 14 0.523 -18.084 3.447
138 HG3 LYS 14 3HG LYS 14 -1.185 -17.839 3.821
139 HD2 LYS 14 2HD LYS 14 -0.612 -15.346 3.164
140 HD3 LYS 14 3HD LYS 14 0.690 -16.128 2.263
141 HE2 LYS 14 2HE LYS 14 -1.260 -15.834 0.848
142 HE3 LYS 14 3HE LYS 14 -0.962 -17.548 1.133
143 HZ1 LYS 14 3HZ LYS 14 -2.956 -17.769 2.046
144 HZ2 LYS 14 1HZ LYS 14 -3.317 -16.193 1.546
145 HZ3 LYS 14 2HZ LYS 14 -2.707 -16.469 3.099
146 H LEU 15 H LEU 15 2.691 -14.611 4.821
147 HA LEU 15 HA LEU 15 3.527 -12.818 5.950
148 HB2 LEU 15 2HB LEU 15 1.029 -13.519 7.426
149 HB3 LEU 15 3HB LEU 15 2.064 -12.227 8.032
150 HG LEU 15 HG LEU 15 0.198 -11.372 6.691
151 HD11 LEU 15 1HD1 LEU 15 1.957 -10.419 4.814
152 HD12 LEU 15 2HD1 LEU 15 3.018 -10.897 6.138
153 HD13 LEU 15 3HD1 LEU 15 1.709 -9.752 6.428
154 HD21 LEU 15 3HD2 LEU 15 1.477 -12.707 4.317
155 HD22 LEU 15 1HD2 LEU 15 -0.060 -11.845 4.390
156 HD23 LEU 15 2HD2 LEU 15 0.114 -13.406 5.193
157 H TYR 16 H TYR 16 4.736 -15.321 6.581
158 HA TYR 16 HA TYR 16 5.078 -15.824 9.296
159 HB2 TYR 16 2HB TYR 16 7.389 -16.687 8.526
160 HB3 TYR 16 3HB TYR 16 5.950 -17.453 7.863
161 HD1 TYR 16 HD2 TYR 16 7.977 -14.419 7.021
162 HD2 TYR 16 HD1 TYR 16 6.177 -18.021 5.647
163 HE1 TYR 16 HE2 TYR 16 8.781 -13.946 4.745
164 HE2 TYR 16 HE1 TYR 16 6.977 -17.559 3.368
165 HH TYR 16 HH TYR 16 9.306 -15.695 2.580
166 H HIS 17 H HIS 17 7.528 -15.600 10.183
167 HA HIS 17 HA HIS 17 7.870 -12.737 10.541
168 HB2 HIS 17 2HB HIS 17 7.863 -14.221 12.509
169 HB3 HIS 17 3HB HIS 17 9.280 -15.056 11.880
170 HD1 HIS 17 HD1 HIS 17 10.499 -14.345 14.110
171 HD2 HIS 17 HD2 HIS 17 9.417 -11.212 11.606
172 HE1 HIS 17 HE1 HIS 17 11.801 -12.354 14.924
173 H GLU 18 H GLU 18 8.579 -12.659 8.193
174 HA GLU 18 HA GLU 18 11.476 -12.575 8.146
175 HB2 GLU 18 2HB GLU 18 10.187 -14.798 7.069
176 HB3 GLU 18 3HB GLU 18 10.535 -13.783 5.677
177 HG2 GLU 18 2HG GLU 18 12.882 -13.733 6.256
178 HG3 GLU 18 3HG GLU 18 12.563 -14.663 7.719
179 H GLY 19 H GLY 19 11.293 -10.350 7.953
180 HA2 GLY 19 2HA GLY 19 11.220 -8.376 6.777
181 HA3 GLY 19 3HA GLY 19 11.025 -9.337 5.318
182 H LYS 20 H LYS 20 9.635 -6.966 7.035
183 HA LYS 20 HA LYS 20 6.878 -7.807 6.866
184 HB2 LYS 20 2HB LYS 20 8.337 -5.413 7.852
185 HB3 LYS 20 3HB LYS 20 6.669 -5.179 7.344
186 HG2 LYS 20 2HG LYS 20 6.133 -7.165 8.878
187 HG3 LYS 20 3HG LYS 20 7.735 -6.882 9.564
188 HD2 LYS 20 2HD LYS 20 6.451 -5.577 10.947
189 HD3 LYS 20 3HD LYS 20 6.879 -4.399 9.704
190 HE2 LYS 20 2HE LYS 20 4.731 -4.937 8.558
191 HE3 LYS 20 3HE LYS 20 4.305 -5.954 9.934
192 HZ1 LYS 20 3HZ LYS 20 5.089 -3.450 10.904
193 HZ2 LYS 20 1HZ LYS 20 3.557 -4.166 10.972
194 HZ3 LYS 20 2HZ LYS 20 3.976 -3.189 9.657
195 H PHE 21 H PHE 21 6.488 -8.208 4.693
196 HA PHE 21 HA PHE 21 5.568 -6.076 3.142
197 HB2 PHE 21 2HB PHE 21 8.289 -6.114 3.015
198 HB3 PHE 21 3HB PHE 21 7.876 -7.144 1.648
199 HD1 PHE 21 HD1 PHE 21 5.757 -6.096 0.269
200 HD2 PHE 21 HD2 PHE 21 8.671 -3.927 2.487
201 HE1 PHE 21 HE1 PHE 21 5.308 -4.101 -1.099
202 HE2 PHE 21 HE2 PHE 21 8.226 -1.928 1.124
203 HZ PHE 21 HZ PHE 21 6.543 -2.013 -0.672
204 H TRP 22 H TRP 22 3.845 -7.196 2.476
205 HA TRP 22 HA TRP 22 4.329 -9.615 0.879
206 HB2 TRP 22 2HB TRP 22 2.503 -9.283 3.220
207 HB3 TRP 22 3HB TRP 22 1.986 -10.318 1.892
208 HD1 TRP 22 HD1 TRP 22 4.977 -9.991 4.336
209 HE1 TRP 22 HE1 TRP 22 5.908 -12.351 4.769
210 HE3 TRP 22 HE3 TRP 22 2.001 -12.637 1.130
211 HZ2 TRP 22 HZ2 TRP 22 5.442 -14.986 3.870
212 HZ3 TRP 22 HZ3 TRP 22 2.308 -15.074 0.976
213 HH2 TRP 22 HH2 TRP 22 3.994 -16.222 2.318
214 H CYS 23 H CYS 23 4.141 -8.088 -0.894
215 HA CYS 23 HA CYS 23 1.602 -8.104 -2.083
216 HB2 CYS 23 2HB CYS 23 1.080 -6.362 -0.431
217 HB3 CYS 23 3HB CYS 23 2.445 -5.407 -1.001
218 HA PRO 24 HA PRO 24 4.961 -7.636 -5.091
219 HB2 PRO 24 2HB PRO 24 3.654 -8.961 -7.066
220 HB3 PRO 24 3HB PRO 24 4.534 -9.787 -5.775
221 HG2 PRO 24 2HG PRO 24 1.598 -9.262 -6.031
222 HG3 PRO 24 3HG PRO 24 2.428 -10.737 -5.502
223 HD2 PRO 24 2HD PRO 24 1.326 -8.982 -3.760
224 HD3 PRO 24 3HD PRO 24 2.778 -9.927 -3.372
Start of MODEL 19
1 H1 THR 1 H THR 1 -2.246 -1.925 -6.385
2 HA THR 1 HA THR 1 -0.345 0.007 -7.007
3 HB THR 1 HB THR 1 -2.593 0.481 -6.038
4 HG1 THR 1 HG1 THR 1 -0.615 1.934 -5.939
5 HG21 THR 1 3HG2 THR 1 -1.805 -1.249 -4.035
6 HG22 THR 1 1HG2 THR 1 -3.214 -0.190 -3.993
7 HG23 THR 1 2HG2 THR 1 -1.693 0.337 -3.271
8 H CYS 2 H CYS 2 0.865 -2.508 -6.079
9 HA CYS 2 HA CYS 2 2.411 -1.486 -3.788
10 HB2 CYS 2 2HB CYS 2 1.701 -4.294 -4.614
11 HB3 CYS 2 3HB CYS 2 3.029 -3.965 -3.507
12 H HIS 3 H HIS 3 4.693 -2.469 -3.737
13 HA HIS 3 HA HIS 3 5.849 -2.849 -6.385
14 HB2 HIS 3 2HB HIS 3 6.260 -0.449 -4.679
15 HB3 HIS 3 3HB HIS 3 7.679 -1.112 -5.484
16 HD1 HIS 3 HD1 HIS 3 6.549 -1.852 -8.200
17 HD2 HIS 3 HD2 HIS 3 5.607 1.679 -6.223
18 HE1 HIS 3 HE1 HIS 3 5.803 -0.256 -9.994
19 H ILE 4 H ILE 4 6.693 -4.816 -5.996
20 HA ILE 4 HA ILE 4 9.036 -5.058 -4.435
21 HB ILE 4 HB ILE 4 7.467 -5.111 -2.559
22 HG12 ILE 4 2HG1 ILE 4 8.205 -7.226 -1.558
23 HG13 ILE 4 3HG1 ILE 4 8.643 -7.837 -3.150
24 HG21 ILE 4 1HG2 ILE 4 5.846 -6.927 -2.330
25 HG22 ILE 4 2HG2 ILE 4 5.504 -5.933 -3.745
26 HG23 ILE 4 3HG2 ILE 4 6.269 -7.509 -3.940
27 HD11 ILE 4 3HD1 ILE 4 10.295 -6.533 -1.366
28 HD12 ILE 4 1HD1 ILE 4 10.625 -6.851 -3.069
29 HD13 ILE 4 2HD1 ILE 4 9.923 -5.309 -2.580
30 H ARG 5 H ARG 5 10.227 -6.744 -5.137
31 HA ARG 5 HA ARG 5 9.163 -8.343 -7.288
32 HB2 ARG 5 2HB ARG 5 11.451 -9.193 -7.504
33 HB3 ARG 5 3HB ARG 5 11.430 -7.436 -7.433
34 HG2 ARG 5 2HG ARG 5 12.029 -7.570 -5.035
35 HG3 ARG 5 3HG ARG 5 12.165 -9.321 -5.206
36 HD2 ARG 5 2HD ARG 5 13.757 -7.290 -6.767
37 HD3 ARG 5 3HD ARG 5 14.344 -8.172 -5.358
38 HE ARG 5 HE ARG 5 14.198 -9.133 -8.031
39 HH11 ARG 5 1HH1 ARG 5 13.918 -10.113 -4.703
40 HH12 ARG 5 2HH1 ARG 5 14.374 -11.756 -5.012
41 HH21 ARG 5 1HH2 ARG 5 14.799 -11.292 -8.452
42 HH22 ARG 5 2HH2 ARG 5 14.876 -12.425 -7.145
43 H ARG 6 H ARG 6 10.128 -8.820 -3.944
44 HA ARG 6 HA ARG 6 9.916 -11.679 -4.042
45 HB2 ARG 6 2HB ARG 6 10.416 -9.634 -1.938
46 HB3 ARG 6 3HB ARG 6 9.816 -11.203 -1.419
47 HG2 ARG 6 2HG ARG 6 12.174 -11.012 -3.246
48 HG3 ARG 6 3HG ARG 6 12.360 -10.787 -1.505
49 HD2 ARG 6 2HD ARG 6 11.154 -12.995 -1.229
50 HD3 ARG 6 3HD ARG 6 11.351 -13.215 -2.967
51 HE ARG 6 HE ARG 6 13.851 -12.622 -1.857
52 HH11 ARG 6 1HH1 ARG 6 11.466 -15.158 -1.836
53 HH12 ARG 6 2HH1 ARG 6 12.619 -16.419 -1.553
54 HH21 ARG 6 1HH2 ARG 6 15.379 -14.274 -1.483
55 HH22 ARG 6 2HH2 ARG 6 14.845 -15.915 -1.351
56 H LYS 7 H LYS 7 7.808 -11.940 -4.942
57 HA LYS 7 HA LYS 7 5.602 -11.300 -3.101
58 HB2 LYS 7 2HB LYS 7 4.209 -11.881 -5.223
59 HB3 LYS 7 3HB LYS 7 5.012 -10.320 -5.118
60 HG2 LYS 7 2HG LYS 7 5.318 -11.244 -7.316
61 HG3 LYS 7 3HG LYS 7 6.867 -11.211 -6.471
62 HD2 LYS 7 2HD LYS 7 6.984 -13.487 -6.310
63 HD3 LYS 7 3HD LYS 7 5.230 -13.682 -6.266
64 HE2 LYS 7 2HE LYS 7 6.084 -14.563 -8.342
65 HE3 LYS 7 3HE LYS 7 5.141 -13.110 -8.667
66 HZ1 LYS 7 3HZ LYS 7 7.538 -13.518 -9.692
67 HZ2 LYS 7 1HZ LYS 7 8.003 -12.750 -8.258
68 HZ3 LYS 7 2HZ LYS 7 6.957 -11.970 -9.333
69 HA PRO 8 HA PRO 8 4.832 -15.535 -2.251
70 HB2 PRO 8 2HB PRO 8 2.119 -15.613 -2.166
71 HB3 PRO 8 3HB PRO 8 3.098 -14.846 -0.910
72 HG2 PRO 8 2HG PRO 8 1.645 -13.593 -3.208
73 HG3 PRO 8 3HG PRO 8 1.747 -13.055 -1.522
74 HD2 PRO 8 2HD PRO 8 3.249 -11.964 -3.493
75 HD3 PRO 8 3HD PRO 8 3.826 -12.104 -1.820
76 H LYS 9 H LYS 9 4.719 -17.396 -3.367
77 HA LYS 9 HA LYS 9 3.098 -17.518 -5.804
78 HB2 LYS 9 2HB LYS 9 6.052 -17.750 -5.616
79 HB3 LYS 9 3HB LYS 9 5.234 -18.898 -6.667
80 HG2 LYS 9 2HG LYS 9 4.890 -15.915 -6.852
81 HG3 LYS 9 3HG LYS 9 6.050 -16.841 -7.806
82 HD2 LYS 9 2HD LYS 9 3.068 -17.300 -7.792
83 HD3 LYS 9 3HD LYS 9 3.942 -16.381 -9.019
84 HE2 LYS 9 2HE LYS 9 4.243 -19.309 -8.369
85 HE3 LYS 9 3HE LYS 9 3.567 -18.608 -9.839
86 HZ1 LYS 9 3HZ LYS 9 6.354 -18.892 -9.027
87 HZ2 LYS 9 1HZ LYS 9 5.949 -17.489 -9.882
88 HZ3 LYS 9 2HZ LYS 9 5.657 -19.009 -10.564
89 H PHE 10 H PHE 10 5.549 -19.662 -4.374
90 HA PHE 10 HA PHE 10 3.421 -21.642 -3.902
91 HB2 PHE 10 2HB PHE 10 5.086 -22.016 -5.894
92 HB3 PHE 10 3HB PHE 10 6.199 -22.502 -4.619
93 HD1 PHE 10 HD2 PHE 10 2.721 -23.155 -5.788
94 HD2 PHE 10 HD1 PHE 10 6.246 -24.708 -3.979
95 HE1 PHE 10 HE2 PHE 10 1.721 -25.403 -5.779
96 HE2 PHE 10 HE1 PHE 10 5.253 -26.959 -3.968
97 HZ PHE 10 HZ PHE 10 2.987 -27.308 -4.867
98 H ARG 11 H ARG 11 3.504 -20.608 -1.737
99 HA ARG 11 HA ARG 11 5.717 -21.699 -0.125
100 HB2 ARG 11 2HB ARG 11 4.882 -19.851 1.532
101 HB3 ARG 11 3HB ARG 11 5.946 -19.425 0.199
102 HG2 ARG 11 2HG ARG 11 4.177 -17.802 0.392
103 HG3 ARG 11 3HG ARG 11 3.990 -18.713 -1.108
104 HD2 ARG 11 2HD ARG 11 2.230 -20.027 -0.178
105 HD3 ARG 11 3HD ARG 11 2.528 -19.384 1.437
106 HE ARG 11 HE ARG 11 1.324 -17.506 0.885
107 HH11 ARG 11 1HH1 ARG 11 1.997 -19.353 -1.989
108 HH12 ARG 11 2HH1 ARG 11 0.936 -18.421 -2.993
109 HH21 ARG 11 1HH2 ARG 11 -0.075 -16.272 -0.428
110 HH22 ARG 11 2HH2 ARG 11 -0.241 -16.668 -2.105
111 H LYS 12 H LYS 12 5.054 -22.076 2.210
112 HA LYS 12 HA LYS 12 2.454 -23.448 2.221
113 HB2 LYS 12 2HB LYS 12 3.401 -24.774 4.102
114 HB3 LYS 12 3HB LYS 12 4.294 -24.958 2.598
115 HG2 LYS 12 2HG LYS 12 5.939 -23.299 3.437
116 HG3 LYS 12 3HG LYS 12 5.078 -23.290 4.978
117 HD2 LYS 12 2HD LYS 12 6.037 -25.866 3.790
118 HD3 LYS 12 3HD LYS 12 7.148 -24.828 4.686
119 HE2 LYS 12 2HE LYS 12 5.372 -24.846 6.532
120 HE3 LYS 12 3HE LYS 12 4.661 -26.203 5.659
121 HZ1 LYS 12 3HZ LYS 12 6.049 -27.254 7.132
122 HZ2 LYS 12 1HZ LYS 12 7.236 -26.050 7.069
123 HZ3 LYS 12 2HZ LYS 12 7.061 -27.133 5.782
124 H PHE 13 H PHE 13 4.564 -21.380 4.177
125 HA PHE 13 HA PHE 13 2.437 -20.933 6.111
126 HB2 PHE 13 2HB PHE 13 5.100 -21.110 6.453
127 HB3 PHE 13 3HB PHE 13 4.953 -19.367 6.253
128 HD1 PHE 13 HD1 PHE 13 3.640 -22.227 8.219
129 HD2 PHE 13 HD2 PHE 13 4.295 -18.025 8.035
130 HE1 PHE 13 HE1 PHE 13 2.960 -22.021 10.575
131 HE2 PHE 13 HE2 PHE 13 3.617 -17.813 10.390
132 HZ PHE 13 HZ PHE 13 2.949 -19.812 11.664
133 H LYS 14 H LYS 14 2.124 -18.590 6.829
134 HA LYS 14 HA LYS 14 1.995 -16.837 4.464
135 HB2 LYS 14 2HB LYS 14 -0.072 -17.310 6.608
136 HB3 LYS 14 3HB LYS 14 -0.107 -15.896 5.562
137 HG2 LYS 14 2HG LYS 14 -0.135 -18.731 4.554
138 HG3 LYS 14 3HG LYS 14 -1.584 -17.764 4.837
139 HD2 LYS 14 2HD LYS 14 0.495 -16.481 3.191
140 HD3 LYS 14 3HD LYS 14 -0.281 -17.893 2.469
141 HE2 LYS 14 2HE LYS 14 -2.481 -16.726 3.236
142 HE3 LYS 14 3HE LYS 14 -1.477 -15.278 3.290
143 HZ1 LYS 14 3HZ LYS 14 -2.718 -15.819 1.135
144 HZ2 LYS 14 1HZ LYS 14 -1.525 -16.994 0.890
145 HZ3 LYS 14 2HZ LYS 14 -1.093 -15.364 1.020
146 H LEU 15 H LEU 15 2.806 -14.843 4.698
147 HA LEU 15 HA LEU 15 3.982 -13.121 5.619
148 HB2 LEU 15 2HB LEU 15 1.741 -13.599 7.531
149 HB3 LEU 15 3HB LEU 15 2.973 -12.402 7.922
150 HG LEU 15 HG LEU 15 0.974 -11.394 6.918
151 HD11 LEU 15 1HD1 LEU 15 2.438 -10.575 4.756
152 HD12 LEU 15 2HD1 LEU 15 3.683 -11.162 5.858
153 HD13 LEU 15 3HD1 LEU 15 2.557 -9.911 6.386
154 HD21 LEU 15 3HD2 LEU 15 0.058 -12.020 4.944
155 HD22 LEU 15 1HD2 LEU 15 0.784 -13.569 5.375
156 HD23 LEU 15 2HD2 LEU 15 1.608 -12.493 4.246
157 H TYR 16 H TYR 16 5.070 -15.719 6.079
158 HA TYR 16 HA TYR 16 5.856 -16.248 8.688
159 HB2 TYR 16 2HB TYR 16 7.934 -17.266 7.532
160 HB3 TYR 16 3HB TYR 16 6.351 -17.926 7.134
161 HD1 TYR 16 HD1 TYR 16 8.395 -15.027 5.933
162 HD2 TYR 16 HD2 TYR 16 6.159 -18.501 4.917
163 HE1 TYR 16 HE1 TYR 16 8.823 -14.597 3.550
164 HE2 TYR 16 HE2 TYR 16 6.582 -18.082 2.530
165 HH TYR 16 HH TYR 16 7.464 -16.701 1.032
166 H HIS 17 H HIS 17 8.369 -16.174 9.235
167 HA HIS 17 HA HIS 17 8.984 -13.358 9.488
168 HB2 HIS 17 2HB HIS 17 9.926 -15.877 10.753
169 HB3 HIS 17 3HB HIS 17 11.056 -14.527 10.720
170 HD1 HIS 17 HD1 HIS 17 9.713 -12.160 11.579
171 HD2 HIS 17 HD2 HIS 17 8.486 -15.856 13.026
172 HE1 HIS 17 HE1 HIS 17 8.464 -11.668 13.705
173 H GLU 18 H GLU 18 9.271 -13.302 7.047
174 HA GLU 18 HA GLU 18 12.115 -13.383 6.495
175 HB2 GLU 18 2HB GLU 18 10.539 -15.528 5.672
176 HB3 GLU 18 3HB GLU 18 10.694 -14.528 4.234
177 HG2 GLU 18 2HG GLU 18 13.122 -14.587 4.446
178 HG3 GLU 18 3HG GLU 18 12.973 -15.579 5.895
179 H GLY 19 H GLY 19 12.018 -11.149 6.327
180 HA2 GLY 19 2HA GLY 19 11.853 -9.171 5.168
181 HA3 GLY 19 3HA GLY 19 11.353 -10.114 3.772
182 H LYS 20 H LYS 20 10.418 -7.588 5.420
183 HA LYS 20 HA LYS 20 7.625 -8.298 5.831
184 HB2 LYS 20 2HB LYS 20 9.368 -6.000 6.541
185 HB3 LYS 20 3HB LYS 20 7.659 -5.658 6.302
186 HG2 LYS 20 2HG LYS 20 7.310 -7.669 7.915
187 HG3 LYS 20 3HG LYS 20 8.982 -7.343 8.377
188 HD2 LYS 20 2HD LYS 20 7.020 -5.093 8.270
189 HD3 LYS 20 3HD LYS 20 7.006 -6.192 9.651
190 HE2 LYS 20 2HE LYS 20 9.410 -4.658 8.665
191 HE3 LYS 20 3HE LYS 20 8.403 -4.197 10.036
192 HZ1 LYS 20 3HZ LYS 20 10.106 -6.612 9.793
193 HZ2 LYS 20 1HZ LYS 20 8.986 -6.383 11.040
194 HZ3 LYS 20 2HZ LYS 20 10.295 -5.325 10.875
195 H PHE 21 H PHE 21 6.853 -8.677 3.761
196 HA PHE 21 HA PHE 21 5.820 -6.498 2.356
197 HB2 PHE 21 2HB PHE 21 8.503 -6.801 1.769
198 HB3 PHE 21 3HB PHE 21 7.711 -7.656 0.450
199 HD1 PHE 21 HD2 PHE 21 5.362 -6.155 -0.135
200 HD2 PHE 21 HD1 PHE 21 9.199 -4.742 1.045
201 HE1 PHE 21 HE2 PHE 21 4.913 -4.011 -1.255
202 HE2 PHE 21 HE1 PHE 21 8.756 -2.594 -0.071
203 HZ PHE 21 HZ PHE 21 6.611 -2.227 -1.224
204 H TRP 22 H TRP 22 3.949 -7.573 2.094
205 HA TRP 22 HA TRP 22 4.020 -9.996 0.427
206 HB2 TRP 22 2HB TRP 22 2.649 -9.565 3.046
207 HB3 TRP 22 3HB TRP 22 1.855 -10.572 1.838
208 HD1 TRP 22 HD1 TRP 22 5.288 -10.395 3.644
209 HE1 TRP 22 HE1 TRP 22 6.136 -12.805 3.964
210 HE3 TRP 22 HE3 TRP 22 1.549 -12.900 1.218
211 HZ2 TRP 22 HZ2 TRP 22 5.327 -15.421 3.278
212 HZ3 TRP 22 HZ3 TRP 22 1.661 -15.355 1.095
213 HH2 TRP 22 HH2 TRP 22 3.512 -16.587 2.103
214 H CYS 23 H CYS 23 3.605 -8.471 -1.305
215 HA CYS 23 HA CYS 23 0.918 -8.364 -2.061
216 HB2 CYS 23 2HB CYS 23 0.596 -6.650 -0.404
217 HB3 CYS 23 3HB CYS 23 2.016 -5.772 -0.962
218 HA PRO 24 HA PRO 24 3.766 -7.944 -5.562
219 HB2 PRO 24 2HB PRO 24 2.118 -9.195 -7.319
220 HB3 PRO 24 3HB PRO 24 3.165 -10.069 -6.196
221 HG2 PRO 24 2HG PRO 24 0.245 -9.451 -5.971
222 HG3 PRO 24 3HG PRO 24 1.101 -10.959 -5.601
223 HD2 PRO 24 2HD PRO 24 0.349 -9.203 -3.683
224 HD3 PRO 24 3HD PRO 24 1.812 -10.198 -3.545
Start of MODEL 20
1 H1 THR 1 H THR 1 1.498 1.108 -2.209
2 HA THR 1 HA THR 1 3.394 0.314 -1.231
3 HB THR 1 HB THR 1 3.247 -0.819 0.936
4 HG1 THR 1 HG1 THR 1 0.478 -0.946 0.293
5 HG21 THR 1 3HG2 THR 1 1.713 1.652 0.362
6 HG22 THR 1 1HG2 THR 1 3.115 1.406 1.402
7 HG23 THR 1 2HG2 THR 1 1.509 0.938 1.962
8 H CYS 2 H CYS 2 2.681 -1.028 -3.443
9 HA CYS 2 HA CYS 2 3.440 -3.790 -2.791
10 HB2 CYS 2 2HB CYS 2 1.455 -3.106 -4.961
11 HB3 CYS 2 3HB CYS 2 1.890 -4.705 -4.367
12 H HIS 3 H HIS 3 5.516 -2.560 -3.338
13 HA HIS 3 HA HIS 3 5.962 -2.650 -6.250
14 HB2 HIS 3 2HB HIS 3 6.209 -0.405 -4.996
15 HB3 HIS 3 3HB HIS 3 7.689 -1.096 -4.337
16 HD1 HIS 3 HD1 HIS 3 8.630 1.087 -5.739
17 HD2 HIS 3 HD2 HIS 3 7.365 -2.212 -7.924
18 HE1 HIS 3 HE1 HIS 3 9.673 1.347 -8.012
19 H ILE 4 H ILE 4 6.754 -4.655 -6.582
20 HA ILE 4 HA ILE 4 9.409 -5.254 -5.902
21 HB ILE 4 HB ILE 4 8.585 -5.679 -3.663
22 HG12 ILE 4 2HG1 ILE 4 8.890 -8.460 -4.667
23 HG13 ILE 4 3HG1 ILE 4 10.180 -7.327 -5.056
24 HG21 ILE 4 1HG2 ILE 4 6.845 -7.199 -3.142
25 HG22 ILE 4 2HG2 ILE 4 6.228 -6.154 -4.420
26 HG23 ILE 4 3HG2 ILE 4 6.768 -7.788 -4.802
27 HD11 ILE 4 3HD1 ILE 4 11.015 -7.491 -3.016
28 HD12 ILE 4 1HD1 ILE 4 9.454 -7.118 -2.284
29 HD13 ILE 4 2HD1 ILE 4 9.855 -8.782 -2.709
30 H ARG 5 H ARG 5 10.114 -6.494 -7.504
31 HA ARG 5 HA ARG 5 8.320 -7.718 -9.344
32 HB2 ARG 5 2HB ARG 5 10.302 -8.421 -10.538
33 HB3 ARG 5 3HB ARG 5 10.512 -6.763 -9.994
34 HG2 ARG 5 2HG ARG 5 11.806 -7.667 -8.046
35 HG3 ARG 5 3HG ARG 5 11.745 -9.245 -8.834
36 HD2 ARG 5 2HD ARG 5 12.723 -8.027 -10.876
37 HD3 ARG 5 3HD ARG 5 13.116 -6.737 -9.741
38 HE ARG 5 HE ARG 5 14.813 -8.031 -8.918
39 HH11 ARG 5 1HH1 ARG 5 12.646 -10.037 -10.761
40 HH12 ARG 5 2HH1 ARG 5 13.667 -11.435 -10.686
41 HH21 ARG 5 1HH2 ARG 5 16.166 -9.864 -8.811
42 HH22 ARG 5 2HH2 ARG 5 15.669 -11.335 -9.576
43 H ARG 6 H ARG 6 10.325 -8.892 -6.707
44 HA ARG 6 HA ARG 6 9.917 -11.664 -7.298
45 HB2 ARG 6 2HB ARG 6 11.896 -10.881 -6.069
46 HB3 ARG 6 3HB ARG 6 10.864 -10.331 -4.755
47 HG2 ARG 6 2HG ARG 6 11.821 -12.406 -4.108
48 HG3 ARG 6 3HG ARG 6 10.115 -12.693 -4.457
49 HD2 ARG 6 2HD ARG 6 12.060 -13.052 -6.670
50 HD3 ARG 6 3HD ARG 6 12.041 -14.266 -5.392
51 HE ARG 6 HE ARG 6 9.444 -13.643 -6.473
52 HH11 ARG 6 1HH1 ARG 6 12.288 -15.630 -6.765
53 HH12 ARG 6 2HH1 ARG 6 11.472 -16.900 -7.616
54 HH21 ARG 6 1HH2 ARG 6 8.359 -15.308 -7.592
55 HH22 ARG 6 2HH2 ARG 6 9.237 -16.715 -8.086
56 H LYS 7 H LYS 7 7.561 -11.536 -7.520
57 HA LYS 7 HA LYS 7 5.867 -10.937 -5.340
58 HB2 LYS 7 2HB LYS 7 4.111 -11.688 -6.673
59 HB3 LYS 7 3HB LYS 7 5.305 -11.172 -7.856
60 HG2 LYS 7 2HG LYS 7 4.832 -14.010 -6.966
61 HG3 LYS 7 3HG LYS 7 4.270 -13.291 -8.477
62 HD2 LYS 7 2HD LYS 7 6.624 -12.852 -9.097
63 HD3 LYS 7 3HD LYS 7 7.139 -13.674 -7.622
64 HE2 LYS 7 2HE LYS 7 7.307 -15.278 -9.343
65 HE3 LYS 7 3HE LYS 7 5.840 -15.683 -8.453
66 HZ1 LYS 7 3HZ LYS 7 5.082 -13.925 -10.449
67 HZ2 LYS 7 1HZ LYS 7 4.761 -15.584 -10.368
68 HZ3 LYS 7 2HZ LYS 7 6.132 -15.027 -11.187
69 HA PRO 8 HA PRO 8 6.075 -14.511 -2.799
70 HB2 PRO 8 2HB PRO 8 3.514 -14.680 -1.913
71 HB3 PRO 8 3HB PRO 8 4.639 -13.431 -1.366
72 HG2 PRO 8 2HG PRO 8 2.487 -13.265 -3.440
73 HG3 PRO 8 3HG PRO 8 2.915 -12.097 -2.176
74 HD2 PRO 8 2HD PRO 8 3.694 -11.806 -4.753
75 HD3 PRO 8 3HD PRO 8 4.680 -11.243 -3.388
76 H LYS 9 H LYS 9 6.100 -16.628 -3.212
77 HA LYS 9 HA LYS 9 3.876 -18.042 -4.294
78 HB2 LYS 9 2HB LYS 9 5.108 -16.844 -6.283
79 HB3 LYS 9 3HB LYS 9 6.268 -18.152 -6.091
80 HG2 LYS 9 2HG LYS 9 3.428 -18.938 -6.231
81 HG3 LYS 9 3HG LYS 9 4.141 -18.287 -7.708
82 HD2 LYS 9 2HD LYS 9 5.451 -20.094 -8.020
83 HD3 LYS 9 3HD LYS 9 5.798 -20.263 -6.297
84 HE2 LYS 9 2HE LYS 9 3.691 -21.349 -5.922
85 HE3 LYS 9 3HE LYS 9 3.177 -21.025 -7.577
86 HZ1 LYS 9 3HZ LYS 9 3.879 -23.186 -7.724
87 HZ2 LYS 9 1HZ LYS 9 5.118 -22.995 -6.588
88 HZ3 LYS 9 2HZ LYS 9 5.302 -22.378 -8.152
89 H PHE 10 H PHE 10 4.205 -20.330 -4.331
90 HA PHE 10 HA PHE 10 4.935 -22.255 -3.355
91 HB2 PHE 10 2HB PHE 10 6.778 -21.558 -5.136
92 HB3 PHE 10 3HB PHE 10 7.774 -21.405 -3.693
93 HD1 PHE 10 HD2 PHE 10 6.898 -23.584 -2.014
94 HD2 PHE 10 HD1 PHE 10 7.433 -23.470 -6.235
95 HE1 PHE 10 HE2 PHE 10 7.290 -26.013 -2.026
96 HE2 PHE 10 HE1 PHE 10 7.825 -25.899 -6.254
97 HZ PHE 10 HZ PHE 10 7.755 -27.174 -4.148
98 H ARG 11 H ARG 11 4.158 -20.814 -1.381
99 HA ARG 11 HA ARG 11 6.330 -20.908 0.606
100 HB2 ARG 11 2HB ARG 11 5.369 -19.003 1.745
101 HB3 ARG 11 3HB ARG 11 5.679 -18.579 0.066
102 HG2 ARG 11 2HG ARG 11 2.977 -19.534 0.920
103 HG3 ARG 11 3HG ARG 11 3.461 -17.853 1.155
104 HD2 ARG 11 2HD ARG 11 4.189 -18.157 -1.400
105 HD3 ARG 11 3HD ARG 11 2.883 -19.340 -1.338
106 HE ARG 11 HE ARG 11 2.202 -16.759 -0.251
107 HH11 ARG 11 1HH1 ARG 11 2.322 -18.749 -3.105
108 HH12 ARG 11 2HH1 ARG 11 1.099 -17.850 -3.941
109 HH21 ARG 11 1HH2 ARG 11 0.592 -15.568 -1.342
110 HH22 ARG 11 2HH2 ARG 11 0.117 -16.040 -2.938
111 H LYS 12 H LYS 12 5.825 -21.704 2.638
112 HA LYS 12 HA LYS 12 3.533 -23.466 2.722
113 HB2 LYS 12 2HB LYS 12 5.566 -24.382 3.559
114 HB3 LYS 12 3HB LYS 12 5.849 -22.989 4.594
115 HG2 LYS 12 2HG LYS 12 4.690 -23.885 6.258
116 HG3 LYS 12 3HG LYS 12 3.326 -24.258 5.201
117 HD2 LYS 12 2HD LYS 12 5.781 -25.942 5.036
118 HD3 LYS 12 3HD LYS 12 4.679 -26.173 6.395
119 HE2 LYS 12 2HE LYS 12 2.828 -26.345 4.658
120 HE3 LYS 12 3HE LYS 12 4.112 -26.478 3.458
121 HZ1 LYS 12 3HZ LYS 12 3.598 -28.317 5.730
122 HZ2 LYS 12 1HZ LYS 12 4.966 -28.401 4.737
123 HZ3 LYS 12 2HZ LYS 12 3.428 -28.659 4.082
124 H PHE 13 H PHE 13 4.824 -21.037 5.000
125 HA PHE 13 HA PHE 13 2.198 -20.753 6.202
126 HB2 PHE 13 2HB PHE 13 4.965 -19.898 6.893
127 HB3 PHE 13 3HB PHE 13 3.634 -18.937 7.529
128 HD1 PHE 13 HD1 PHE 13 1.877 -20.076 8.921
129 HD2 PHE 13 HD2 PHE 13 5.546 -21.951 7.856
130 HE1 PHE 13 HE1 PHE 13 1.569 -21.703 10.741
131 HE2 PHE 13 HE2 PHE 13 5.244 -23.582 9.674
132 HZ PHE 13 HZ PHE 13 3.253 -23.460 11.118
133 H LYS 14 H LYS 14 1.665 -18.344 6.817
134 HA LYS 14 HA LYS 14 2.028 -16.647 4.441
135 HB2 LYS 14 2HB LYS 14 -0.533 -17.344 5.861
136 HB3 LYS 14 3HB LYS 14 -0.385 -15.883 4.894
137 HG2 LYS 14 2HG LYS 14 0.092 -18.674 3.871
138 HG3 LYS 14 3HG LYS 14 -1.407 -17.763 3.672
139 HD2 LYS 14 2HD LYS 14 0.286 -15.956 2.696
140 HD3 LYS 14 3HD LYS 14 1.229 -17.408 2.353
141 HE2 LYS 14 2HE LYS 14 -1.667 -17.227 1.599
142 HE3 LYS 14 3HE LYS 14 -0.415 -16.544 0.563
143 HZ1 LYS 14 3HZ LYS 14 -1.158 -19.283 0.959
144 HZ2 LYS 14 1HZ LYS 14 0.507 -19.036 1.132
145 HZ3 LYS 14 2HZ LYS 14 -0.272 -18.576 -0.297
146 H LEU 15 H LEU 15 2.366 -14.513 4.825
147 HA LEU 15 HA LEU 15 3.036 -12.674 5.992
148 HB2 LEU 15 2HB LEU 15 0.547 -13.560 7.385
149 HB3 LEU 15 3HB LEU 15 1.466 -12.197 8.021
150 HG LEU 15 HG LEU 15 -0.402 -11.459 6.632
151 HD11 LEU 15 1HD1 LEU 15 0.973 -9.742 6.312
152 HD12 LEU 15 2HD1 LEU 15 1.388 -10.473 4.761
153 HD13 LEU 15 3HD1 LEU 15 2.379 -10.799 6.183
154 HD21 LEU 15 3HD2 LEU 15 0.967 -12.649 4.245
155 HD22 LEU 15 1HD2 LEU 15 -0.675 -12.022 4.388
156 HD23 LEU 15 2HD2 LEU 15 -0.247 -13.553 5.151
157 H TYR 16 H TYR 16 4.355 -15.135 6.668
158 HA TYR 16 HA TYR 16 4.647 -15.587 9.399
159 HB2 TYR 16 2HB TYR 16 7.010 -16.363 8.702
160 HB3 TYR 16 3HB TYR 16 5.624 -17.195 8.007
161 HD1 TYR 16 HD2 TYR 16 7.556 -14.093 7.190
162 HD2 TYR 16 HD1 TYR 16 5.929 -17.772 5.803
163 HE1 TYR 16 HE2 TYR 16 8.406 -13.611 4.932
164 HE2 TYR 16 HE1 TYR 16 6.775 -17.300 3.542
165 HH TYR 16 HH TYR 16 8.943 -14.676 2.901
166 H HIS 17 H HIS 17 7.079 -15.247 10.324
167 HA HIS 17 HA HIS 17 7.287 -12.363 10.642
168 HB2 HIS 17 2HB HIS 17 7.271 -13.802 12.642
169 HB3 HIS 17 3HB HIS 17 8.738 -14.597 12.079
170 HD1 HIS 17 HD1 HIS 17 7.685 -11.001 12.791
171 HD2 HIS 17 HD2 HIS 17 10.922 -13.561 13.267
172 HE1 HIS 17 HE1 HIS 17 9.437 -9.654 13.992
173 H GLU 18 H GLU 18 8.070 -12.301 8.320
174 HA GLU 18 HA GLU 18 10.963 -12.117 8.363
175 HB2 GLU 18 2HB GLU 18 9.785 -14.400 7.285
176 HB3 GLU 18 3HB GLU 18 10.141 -13.395 5.887
177 HG2 GLU 18 2HG GLU 18 12.002 -14.822 6.252
178 HG3 GLU 18 3HG GLU 18 12.479 -13.189 6.712
179 H GLY 19 H GLY 19 10.734 -9.907 8.116
180 HA2 GLY 19 2HA GLY 19 10.626 -7.955 6.908
181 HA3 GLY 19 3HA GLY 19 10.508 -8.945 5.461
182 H LYS 20 H LYS 20 8.957 -6.662 7.247
183 HA LYS 20 HA LYS 20 6.250 -7.575 6.957
184 HB2 LYS 20 2HB LYS 20 7.601 -5.129 7.961
185 HB3 LYS 20 3HB LYS 20 5.948 -4.941 7.391
186 HG2 LYS 20 2HG LYS 20 5.558 -5.397 9.585
187 HG3 LYS 20 3HG LYS 20 5.534 -7.036 8.931
188 HD2 LYS 20 2HD LYS 20 7.644 -7.535 9.773
189 HD3 LYS 20 3HD LYS 20 8.089 -5.835 9.933
190 HE2 LYS 20 2HE LYS 20 6.761 -5.557 11.849
191 HE3 LYS 20 3HE LYS 20 5.870 -7.049 11.550
192 HZ1 LYS 20 3HZ LYS 20 8.329 -6.655 12.955
193 HZ2 LYS 20 1HZ LYS 20 8.462 -7.858 11.773
194 HZ3 LYS 20 2HZ LYS 20 7.278 -7.980 12.975
195 H PHE 21 H PHE 21 5.933 -8.016 4.780
196 HA PHE 21 HA PHE 21 4.980 -5.931 3.180
197 HB2 PHE 21 2HB PHE 21 7.690 -5.859 3.117
198 HB3 PHE 21 3HB PHE 21 7.373 -6.961 1.782
199 HD1 PHE 21 HD1 PHE 21 5.237 -6.062 0.307
200 HD2 PHE 21 HD2 PHE 21 8.013 -3.688 2.492
201 HE1 PHE 21 HE1 PHE 21 4.748 -4.147 -1.159
202 HE2 PHE 21 HE2 PHE 21 7.527 -1.769 1.031
203 HZ PHE 21 HZ PHE 21 5.892 -1.997 -0.797
204 H TRP 22 H TRP 22 3.321 -7.070 2.415
205 HA TRP 22 HA TRP 22 3.909 -9.510 0.894
206 HB2 TRP 22 2HB TRP 22 2.001 -9.196 3.172
207 HB3 TRP 22 3HB TRP 22 1.560 -10.268 1.846
208 HD1 TRP 22 HD1 TRP 22 4.382 -9.825 4.456
209 HE1 TRP 22 HE1 TRP 22 5.398 -12.141 4.932
210 HE3 TRP 22 HE3 TRP 22 1.776 -12.575 1.023
211 HZ2 TRP 22 HZ2 TRP 22 5.131 -14.785 3.977
212 HZ3 TRP 22 HZ3 TRP 22 2.216 -14.991 0.868
213 HH2 TRP 22 HH2 TRP 22 3.860 -16.071 2.315
214 H CYS 23 H CYS 23 3.734 -8.013 -0.905
215 HA CYS 23 HA CYS 23 1.217 -8.101 -2.150
216 HB2 CYS 23 2HB CYS 23 0.868 -6.252 -0.416
217 HB3 CYS 23 3HB CYS 23 1.984 -5.289 -1.380
218 HA PRO 24 HA PRO 24 4.630 -7.676 -5.103
219 HB2 PRO 24 2HB PRO 24 3.372 -9.058 -7.072
220 HB3 PRO 24 3HB PRO 24 4.232 -9.846 -5.744
221 HG2 PRO 24 2HG PRO 24 1.298 -9.350 -6.070
222 HG3 PRO 24 3HG PRO 24 2.129 -10.806 -5.490
223 HD2 PRO 24 2HD PRO 24 0.979 -9.019 -3.812
224 HD3 PRO 24 3HD PRO 24 2.430 -9.943 -3.374