Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21111 | 2h3s RC | 7233 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 H GLY 1 6.232 -18.180 1.332
2 1HA GLY 1 1HA GLY 1 8.396 -17.029 1.574
3 2HA GLY 1 2HA GLY 1 7.874 -17.131 -0.124
4 HA PRO 2 HA PRO 2 7.897 -12.611 1.588
5 1HB PRO 2 1HB PRO 2 10.501 -11.802 1.752
6 2HB PRO 2 2HB PRO 2 9.632 -12.588 3.102
7 1HG PRO 2 1HG PRO 2 11.501 -13.861 1.084
8 2HG PRO 2 2HG PRO 2 11.505 -14.054 2.866
9 1HD PRO 2 1HD PRO 2 10.317 -15.857 1.179
10 2HD PRO 2 2HD PRO 2 9.641 -15.489 2.799
11 H SER 3 H SER 3 6.969 -12.449 -0.417
12 HA SER 3 HA SER 3 7.924 -12.710 -2.955
13 1HB SER 3 1HB SER 3 6.034 -11.061 -3.477
14 2HB SER 3 2HB SER 3 5.612 -12.484 -2.499
15 HG SER 3 HG SER 3 4.715 -10.809 -1.399
16 H GLN 4 H GLN 4 7.501 -9.465 -1.524
17 HA GLN 4 HA GLN 4 10.137 -8.521 -2.293
18 1HB GLN 4 1HB GLN 4 8.884 -8.457 -4.461
19 2HB GLN 4 2HB GLN 4 7.646 -7.470 -3.701
20 1HG GLN 4 1HG GLN 4 9.289 -5.651 -3.343
21 2HG GLN 4 2HG GLN 4 10.569 -6.679 -4.005
22 1HE2 GLN 4 2HE2 GLN 4 10.539 -7.143 -6.272
23 2HE2 GLN 4 1HE2 GLN 4 9.587 -6.191 -7.402
24 HA PRO 5 HA PRO 5 7.801 -6.647 1.230
25 1HB PRO 5 1HB PRO 5 9.325 -7.323 3.354
26 2HB PRO 5 2HB PRO 5 8.240 -8.498 2.582
27 1HG PRO 5 1HG PRO 5 11.198 -8.121 2.107
28 2HG PRO 5 2HG PRO 5 10.337 -9.648 2.435
29 1HD PRO 5 1HD PRO 5 10.999 -8.740 -0.101
30 2HD PRO 5 2HD PRO 5 9.566 -9.753 0.225
31 H THR 6 H THR 6 8.709 -4.835 -0.327
32 HA THR 6 HA THR 6 11.236 -3.593 0.365
33 HB THR 6 HB THR 6 9.861 -1.622 -0.871
34 HG1 THR 6 HG1 THR 6 7.952 -2.317 -1.417
35 1HG2 THR 6 1HG2 THR 6 10.604 -2.575 -3.036
36 2HG2 THR 6 2HG2 THR 6 10.876 -4.147 -2.251
37 3HG2 THR 6 3HG2 THR 6 11.850 -2.735 -1.788
38 H TYR 7 H TYR 7 11.317 -1.347 1.520
39 HA TYR 7 HA TYR 7 9.038 -0.864 3.275
40 1HB TYR 7 1HB TYR 7 10.652 -0.991 5.304
41 2HB TYR 7 2HB TYR 7 10.002 -2.480 4.670
42 HD1 TYR 7 HD1 TYR 7 13.059 -0.293 4.430
43 HD2 TYR 7 HD2 TYR 7 11.440 -4.263 4.093
44 HE1 TYR 7 HE1 TYR 7 15.321 -1.153 3.968
45 HE2 TYR 7 HE2 TYR 7 13.714 -5.153 3.670
46 HH TYR 7 HH TYR 7 16.568 -2.993 3.414
47 HA PRO 8 HA PRO 8 10.694 3.198 2.909
48 1HB PRO 8 1HB PRO 8 9.677 4.447 5.110
49 2HB PRO 8 2HB PRO 8 8.664 3.932 3.726
50 1HG PRO 8 1HG PRO 8 9.141 2.521 6.364
51 2HG PRO 8 2HG PRO 8 7.577 2.816 5.527
52 1HD PRO 8 1HD PRO 8 8.903 0.448 5.338
53 2HD PRO 8 2HD PRO 8 8.006 1.126 3.950
54 H GLY 9 H GLY 9 12.000 4.914 4.348
55 1HA GLY 9 1HA GLY 9 13.785 3.498 6.274
56 2HA GLY 9 2HA GLY 9 14.493 4.178 4.822
57 HA PRO 11 HA PRO 11 13.106 8.315 -4.582
58 1HB PRO 11 1HB PRO 11 12.238 5.695 -4.651
59 2HB PRO 11 2HB PRO 11 13.921 6.208 -4.986
60 1HG PRO 11 1HG PRO 11 12.766 5.161 -2.381
61 2HG PRO 11 2HG PRO 11 14.287 4.675 -3.178
62 1HD PRO 11 1HD PRO 11 14.212 6.492 -1.145
63 2HD PRO 11 2HD PRO 11 15.378 6.672 -2.484
64 H VAL 12 H VAL 12 11.185 9.321 -4.786
65 HA VAL 12 HA VAL 12 9.165 9.371 -2.797
66 HB VAL 12 HB VAL 12 8.956 10.071 -5.764
67 1HG1 VAL 12 1HG1 VAL 12 7.252 11.716 -5.001
68 2HG1 VAL 12 2HG1 VAL 12 6.761 10.056 -4.679
69 3HG1 VAL 12 3HG1 VAL 12 7.368 11.067 -3.350
70 1HG2 VAL 12 1HG2 VAL 12 10.867 11.289 -4.840
71 2HG2 VAL 12 2HG2 VAL 12 9.519 12.396 -5.050
72 3HG2 VAL 12 3HG2 VAL 12 9.913 11.789 -3.430
73 H GLU 13 H GLU 13 9.597 7.401 -5.700
74 HA GLU 13 HA GLU 13 7.152 6.133 -5.994
75 1HB GLU 13 1HB GLU 13 10.047 5.228 -6.322
76 2HB GLU 13 2HB GLU 13 8.720 4.170 -6.785
77 1HG GLU 13 1HG GLU 13 9.038 7.003 -7.892
78 2HG GLU 13 2HG GLU 13 9.789 5.584 -8.621
79 H ASP 14 H ASP 14 9.706 5.361 -3.639
80 HA ASP 14 HA ASP 14 8.509 2.882 -2.700
81 1HB ASP 14 1HB ASP 14 10.894 3.297 -2.479
82 2HB ASP 14 2HB ASP 14 10.597 4.754 -1.544
83 H LEU 15 H LEU 15 8.472 6.247 -1.688
84 HA LEU 15 HA LEU 15 7.048 5.944 0.773
85 1HB LEU 15 1HB LEU 15 8.162 8.100 -0.832
86 2HB LEU 15 2HB LEU 15 6.492 8.509 -0.509
87 HG LEU 15 HG LEU 15 8.006 9.461 1.134
88 1HD1 LEU 15 1HD1 LEU 15 6.845 8.879 3.151
89 2HD1 LEU 15 2HD1 LEU 15 6.406 7.285 2.517
90 3HD1 LEU 15 3HD1 LEU 15 5.675 8.749 1.827
91 1HD2 LEU 15 1HD2 LEU 15 9.709 7.626 1.003
92 2HD2 LEU 15 2HD2 LEU 15 8.672 6.623 2.031
93 3HD2 LEU 15 3HD2 LEU 15 9.332 8.155 2.644
94 H ILE 16 H ILE 16 6.033 6.774 -2.532
95 HA ILE 16 HA ILE 16 3.244 6.962 -1.990
96 HB ILE 16 HB ILE 16 4.780 6.365 -4.549
97 1HG1 ILE 16 1HG1 ILE 16 5.212 8.613 -3.573
98 2HG1 ILE 16 2HG1 ILE 16 4.430 8.676 -5.140
99 1HG2 ILE 16 1HG2 ILE 16 1.815 6.932 -4.155
100 2HG2 ILE 16 2HG2 ILE 16 2.659 7.051 -5.726
101 3HG2 ILE 16 3HG2 ILE 16 2.565 5.509 -4.885
102 1HD1 ILE 16 1HD1 ILE 16 3.552 10.362 -3.588
103 2HD1 ILE 16 2HD1 ILE 16 2.277 9.224 -4.047
104 3HD1 ILE 16 3HD1 ILE 16 3.052 9.105 -2.447
105 H ARG 17 H ARG 17 5.245 4.141 -3.164
106 HA ARG 17 HA ARG 17 3.069 2.356 -3.295
107 1HB ARG 17 1HB ARG 17 6.036 1.976 -2.713
108 2HB ARG 17 2HB ARG 17 4.934 0.600 -2.640
109 1HG ARG 17 1HG ARG 17 4.333 0.773 -4.929
110 2HG ARG 17 2HG ARG 17 5.101 2.361 -5.099
111 1HD ARG 17 1HD ARG 17 6.453 0.611 -6.113
112 2HD ARG 17 2HD ARG 17 7.312 1.385 -4.775
113 HE ARG 17 HE ARG 17 6.446 -0.660 -3.400
114 1HH1 ARG 17 1HH1 ARG 17 7.887 -0.732 -6.617
115 2HH1 ARG 17 2HH1 ARG 17 8.226 -2.425 -6.574
116 1HH2 ARG 17 1HH2 ARG 17 7.090 -2.827 -3.265
117 2HH2 ARG 17 2HH2 ARG 17 7.750 -3.651 -4.638
118 H PHE 18 H PHE 18 5.065 3.183 -0.446
119 HA PHE 18 HA PHE 18 3.792 1.248 1.248
120 1HB PHE 18 1HB PHE 18 6.014 2.401 1.643
121 2HB PHE 18 2HB PHE 18 5.134 3.856 2.075
122 HD1 PHE 18 HD1 PHE 18 3.956 3.985 4.276
123 HD2 PHE 18 HD2 PHE 18 5.842 0.338 2.978
124 HE1 PHE 18 HE1 PHE 18 3.666 3.029 6.533
125 HE2 PHE 18 HE2 PHE 18 5.566 -0.614 5.236
126 HZ PHE 18 HZ PHE 18 4.454 0.723 7.032
127 H TYR 19 H TYR 19 2.871 4.521 0.201
128 HA TYR 19 HA TYR 19 0.849 4.766 2.310
129 1HB TYR 19 1HB TYR 19 2.111 6.643 0.794
130 2HB TYR 19 2HB TYR 19 0.631 6.480 -0.143
131 HD1 TYR 19 HD1 TYR 19 -1.574 6.206 1.619
132 HD2 TYR 19 HD2 TYR 19 2.074 8.419 2.333
133 HE1 TYR 19 HE1 TYR 19 -2.618 7.285 3.531
134 HE2 TYR 19 HE2 TYR 19 0.998 9.575 4.204
135 HH TYR 19 HH TYR 19 -2.284 8.619 5.391
136 H ASN 20 H ASN 20 0.918 4.091 -1.155
137 HA ASN 20 HA ASN 20 -1.775 3.810 -1.771
138 1HB ASN 20 1HB ASN 20 0.150 3.868 -3.335
139 2HB ASN 20 2HB ASN 20 0.637 2.263 -2.828
140 1HD2 ASN 20 2HD2 ASN 20 -0.511 0.450 -3.625
141 2HD2 ASN 20 1HD2 ASN 20 -1.605 0.594 -4.991
142 H ASP 21 H ASP 21 0.352 1.466 -0.108
143 HA ASP 21 HA ASP 21 -1.321 -0.793 -0.364
144 1HB ASP 21 1HB ASP 21 1.038 -0.844 0.478
145 2HB ASP 21 2HB ASP 21 0.488 -0.114 1.994
146 H LEU 22 H LEU 22 -1.352 1.780 2.046
147 HA LEU 22 HA LEU 22 -3.320 0.714 3.793
148 1HB LEU 22 1HB LEU 22 -2.686 3.622 3.142
149 2HB LEU 22 2HB LEU 22 -3.594 3.083 4.533
150 HG LEU 22 HG LEU 22 -0.699 2.262 4.043
151 1HD1 LEU 22 1HD1 LEU 22 -1.774 4.558 5.728
152 2HD1 LEU 22 2HD1 LEU 22 -0.844 4.707 4.222
153 3HD1 LEU 22 3HD1 LEU 22 -0.084 4.009 5.660
154 1HD2 LEU 22 1HD2 LEU 22 -0.734 1.781 6.475
155 2HD2 LEU 22 2HD2 LEU 22 -1.902 0.784 5.601
156 3HD2 LEU 22 3HD2 LEU 22 -2.461 2.189 6.540
157 H GLN 23 H GLN 23 -3.508 2.401 0.731
158 HA GLN 23 HA GLN 23 -6.380 3.002 0.954
159 1HB GLN 23 1HB GLN 23 -4.610 3.192 -1.534
160 2HB GLN 23 2HB GLN 23 -6.194 3.914 -1.268
161 1HG GLN 23 1HG GLN 23 -5.078 5.175 0.706
162 2HG GLN 23 2HG GLN 23 -3.540 4.666 0.007
163 1HE2 GLN 23 2HE2 GLN 23 -6.663 6.342 -0.937
164 2HE2 GLN 23 1HE2 GLN 23 -5.855 7.516 -1.921
165 H GLN 24 H GLN 24 -4.219 0.743 -0.823
166 HA GLN 24 HA GLN 24 -6.186 -0.521 -2.324
167 1HB GLN 24 1HB GLN 24 -3.651 -0.743 -2.541
168 2HB GLN 24 2HB GLN 24 -3.731 -1.873 -1.180
169 1HG GLN 24 1HG GLN 24 -5.426 -3.216 -2.559
170 2HG GLN 24 2HG GLN 24 -5.070 -2.138 -3.906
171 1HE2 GLN 24 2HE2 GLN 24 -3.884 -3.369 -5.329
172 2HE2 GLN 24 1HE2 GLN 24 -2.649 -4.550 -4.883
173 H TYR 25 H TYR 25 -5.082 -1.260 0.947
174 HA TYR 25 HA TYR 25 -6.693 -3.594 1.319
175 1HB TYR 25 1HB TYR 25 -4.894 -2.184 2.915
176 2HB TYR 25 2HB TYR 25 -6.400 -1.934 3.765
177 HD1 TYR 25 HD1 TYR 25 -7.661 -4.741 3.098
178 HD2 TYR 25 HD2 TYR 25 -3.769 -3.545 4.528
179 HE1 TYR 25 HE1 TYR 25 -7.332 -6.976 4.035
180 HE2 TYR 25 HE2 TYR 25 -3.449 -5.782 5.512
181 HH TYR 25 HH TYR 25 -5.782 -8.458 4.882
182 H LEU 26 H LEU 26 -7.631 -0.194 1.314
183 HA LEU 26 HA LEU 26 -10.322 -0.899 2.290
184 1HB LEU 26 1HB LEU 26 -9.059 1.783 1.628
185 2HB LEU 26 2HB LEU 26 -10.694 1.572 2.235
186 HG LEU 26 HG LEU 26 -8.176 0.730 3.733
187 1HD1 LEU 26 1HD1 LEU 26 -8.661 2.661 5.202
188 2HD1 LEU 26 2HD1 LEU 26 -9.993 3.139 4.114
189 3HD1 LEU 26 3HD1 LEU 26 -8.303 3.154 3.547
190 1HD2 LEU 26 1HD2 LEU 26 -11.122 0.726 4.536
191 2HD2 LEU 26 2HD2 LEU 26 -9.765 0.578 5.696
192 3HD2 LEU 26 3HD2 LEU 26 -10.011 -0.646 4.469
193 H ASN 27 H ASN 27 -8.712 -0.620 -0.610
194 HA ASN 27 HA ASN 27 -11.202 -0.149 -2.127
195 1HB ASN 27 1HB ASN 27 -8.370 0.496 -2.567
196 2HB ASN 27 2HB ASN 27 -9.015 -0.363 -3.935
197 1HD2 ASN 27 2HD2 ASN 27 -8.339 2.607 -3.314
198 2HD2 ASN 27 1HD2 ASN 27 -9.816 3.481 -3.684
199 H VAL 28 H VAL 28 -9.429 -2.784 -1.166
200 HA VAL 28 HA VAL 28 -10.691 -4.393 -3.314
201 HB VAL 28 HB VAL 28 -8.130 -4.904 -1.738
202 1HG1 VAL 28 1HG1 VAL 28 -7.772 -6.827 -3.297
203 2HG1 VAL 28 2HG1 VAL 28 -9.165 -7.072 -2.251
204 3HG1 VAL 28 3HG1 VAL 28 -9.411 -6.587 -3.943
205 1HG2 VAL 28 1HG2 VAL 28 -7.822 -3.185 -3.490
206 2HG2 VAL 28 2HG2 VAL 28 -7.032 -4.681 -3.984
207 3HG2 VAL 28 3HG2 VAL 28 -8.612 -4.247 -4.682
208 H VAL 29 H VAL 29 -10.639 -3.750 0.014
209 HA VAL 29 HA VAL 29 -12.193 -6.240 0.502
210 HB VAL 29 HB VAL 29 -10.905 -4.330 2.451
211 1HG1 VAL 29 1HG1 VAL 29 -11.286 -6.239 4.063
212 2HG1 VAL 29 2HG1 VAL 29 -12.773 -5.440 3.535
213 3HG1 VAL 29 3HG1 VAL 29 -12.299 -6.995 2.829
214 1HG2 VAL 29 1HG2 VAL 29 -9.153 -5.465 1.253
215 2HG2 VAL 29 2HG2 VAL 29 -9.350 -6.338 2.777
216 3HG2 VAL 29 3HG2 VAL 29 -10.044 -6.995 1.278
217 H THR 30 H THR 30 -12.422 -2.798 1.411
218 HA THR 30 HA THR 30 -15.186 -3.187 2.012
219 HB THR 30 HB THR 30 -14.947 -0.467 1.676
220 HG1 THR 30 HG1 THR 30 -12.681 -0.516 1.462
221 1HG2 THR 30 1HG2 THR 30 -15.937 -1.724 3.614
222 2HG2 THR 30 2HG2 THR 30 -14.828 -0.464 4.161
223 3HG2 THR 30 3HG2 THR 30 -14.300 -2.154 4.144
224 H ARG 31 H ARG 31 -13.584 -2.336 -1.026
225 HA ARG 31 HA ARG 31 -15.965 -1.504 -2.287
226 1HB ARG 31 1HB ARG 31 -13.601 -1.143 -3.069
227 2HB ARG 31 2HB ARG 31 -13.588 -2.813 -3.647
228 1HG ARG 31 1HG ARG 31 -15.459 -2.293 -5.194
229 2HG ARG 31 2HG ARG 31 -15.519 -0.639 -4.547
230 1HD ARG 31 1HD ARG 31 -13.130 -0.337 -5.293
231 2HD ARG 31 2HD ARG 31 -13.236 -1.943 -6.054
232 HE ARG 31 HE ARG 31 -15.430 -0.313 -6.869
233 1HH1 ARG 31 1HH1 ARG 31 -11.939 -0.781 -7.501
234 2HH1 ARG 31 2HH1 ARG 31 -12.026 -0.135 -9.112
235 1HH2 ARG 31 1HH2 ARG 31 -15.445 0.760 -8.888
236 2HH2 ARG 31 2HH2 ARG 31 -14.026 0.771 -9.905
237 H HIS 32 H HIS 32 -15.180 -4.630 -1.219
238 HA HIS 32 HA HIS 32 -17.328 -5.826 -2.904
239 1HB HIS 32 1HB HIS 32 -14.725 -6.692 -2.744
240 2HB HIS 32 2HB HIS 32 -15.456 -7.640 -1.488
241 HD1 HIS 32 HD1 HIS 32 -18.272 -8.365 -2.969
242 HD2 HIS 32 HD2 HIS 32 -14.408 -8.336 -4.681
243 HE1 HIS 32 HE1 HIS 32 -18.386 -9.817 -5.037
244 H ARG 33 H ARG 33 -16.779 -4.654 0.196
245 HA ARG 33 HA ARG 33 -18.802 -6.552 1.316
246 1HB ARG 33 1HB ARG 33 -16.396 -6.753 2.115
247 2HB ARG 33 2HB ARG 33 -16.638 -5.204 2.941
248 1HG ARG 33 1HG ARG 33 -18.461 -6.168 4.266
249 2HG ARG 33 2HG ARG 33 -18.418 -7.661 3.307
250 1HD ARG 33 1HD ARG 33 -16.214 -8.224 4.111
251 2HD ARG 33 2HD ARG 33 -16.051 -6.662 4.924
252 HE ARG 33 HE ARG 33 -17.894 -8.899 5.667
253 1HH1 ARG 33 1HH1 ARG 33 -15.668 -6.441 6.811
254 2HH1 ARG 33 2HH1 ARG 33 -16.323 -6.379 8.405
255 1HH2 ARG 33 1HH2 ARG 33 -18.780 -8.846 7.742
256 2HH2 ARG 33 2HH2 ARG 33 -18.050 -7.923 9.008
257 H TYR 34 H TYR 34 -17.986 -3.179 0.808
258 HA TYR 34 HA TYR 34 -20.082 -2.219 2.611
259 1HB TYR 34 1HB TYR 34 -17.669 -1.234 2.252
260 2HB TYR 34 2HB TYR 34 -18.341 -0.545 0.781
261 HD1 TYR 34 HD1 TYR 34 -19.979 1.306 0.926
262 HD2 TYR 34 HD2 TYR 34 -18.458 -0.587 4.496
263 HE1 TYR 34 HE1 TYR 34 -20.978 3.104 2.294
264 HE2 TYR 34 HE2 TYR 34 -19.469 1.206 5.870
265 HH TYR 34 HH TYR 34 -21.216 3.971 4.456
266 1HN NH2 35 1H NH2 35 -20.130 -3.641 -0.391
267 2HN NH2 35 2H NH2 35 -21.445 -2.717 -1.076
268 2HN ZAB 10 H AZO 10 12.211 6.478 5.454
269 2HA ZAB 10 2HA AZO 10 12.130 8.345 6.844
270 3HA ZAB 10 3HA AZO 10 13.561 7.760 7.718
271 HG2 ZAB 10 HG2 AZO 10 15.857 7.830 6.360
272 HD2 ZAB 10 HD2 AZO 10 17.242 9.259 4.906
273 HE ZAB 10 HE AZO 10 16.217 11.135 3.659
274 HG1 ZAB 10 HG1 AZO 10 12.365 10.147 5.337
275 HJ2 ZAB 10 HJ2 AZO 10 15.283 14.048 1.426
276 HK2 ZAB 10 HK2 AZO 10 16.359 13.521 -0.755
277 HL ZAB 10 HL AZO 10 16.063 11.286 -1.780
278 HJ1 ZAB 10 HJ1 AZO 10 13.702 10.053 1.601
279 2HM ZAB 10 2HM AZO 10 15.694 8.808 -1.065
280 3HM ZAB 10 3HM AZO 10 14.312 8.479 -0.012
Start of MODEL 2
1 1H GLY 1 H GLY 1 18.206 -10.970 0.384
2 1HA GLY 1 1HA GLY 1 16.890 -11.071 -1.636
3 2HA GLY 1 2HA GLY 1 18.237 -9.944 -1.870
4 HA PRO 2 HA PRO 2 18.503 -13.842 -4.755
5 1HB PRO 2 1HB PRO 2 17.148 -12.980 -7.013
6 2HB PRO 2 2HB PRO 2 16.414 -13.973 -5.731
7 1HG PRO 2 1HG PRO 2 16.235 -10.981 -6.142
8 2HG PRO 2 2HG PRO 2 14.941 -12.120 -5.671
9 1HD PRO 2 1HD PRO 2 16.231 -10.559 -3.853
10 2HD PRO 2 2HD PRO 2 15.656 -12.206 -3.445
11 H SER 3 H SER 3 18.327 -10.375 -5.422
12 HA SER 3 HA SER 3 21.027 -10.196 -6.447
13 1HB SER 3 1HB SER 3 20.205 -8.947 -8.432
14 2HB SER 3 2HB SER 3 19.628 -10.609 -8.454
15 HG SER 3 HG SER 3 18.120 -8.914 -8.964
16 H GLN 4 H GLN 4 20.786 -7.492 -7.095
17 HA GLN 4 HA GLN 4 21.384 -5.672 -5.812
18 1HB GLN 4 1HB GLN 4 19.670 -5.196 -7.392
19 2HB GLN 4 2HB GLN 4 18.413 -5.674 -6.272
20 1HG GLN 4 1HG GLN 4 18.775 -3.166 -6.597
21 2HG GLN 4 2HG GLN 4 18.701 -3.733 -4.924
22 1HE2 GLN 4 2HE2 GLN 4 20.404 -3.163 -3.588
23 2HE2 GLN 4 1HE2 GLN 4 22.014 -2.698 -4.123
24 HA PRO 5 HA PRO 5 20.424 -6.737 -1.449
25 1HB PRO 5 1HB PRO 5 22.883 -6.328 -0.361
26 2HB PRO 5 2HB PRO 5 22.500 -7.791 -1.308
27 1HG PRO 5 1HG PRO 5 23.960 -5.321 -2.246
28 2HG PRO 5 2HG PRO 5 24.373 -7.040 -2.531
29 1HD PRO 5 1HD PRO 5 22.989 -5.439 -4.324
30 2HD PRO 5 2HD PRO 5 22.815 -7.216 -4.253
31 H THR 6 H THR 6 19.049 -4.753 -1.859
32 HA THR 6 HA THR 6 20.191 -2.124 -1.619
33 HB THR 6 HB THR 6 17.425 -2.077 -0.974
34 HG1 THR 6 HG1 THR 6 16.677 -3.769 -1.890
35 1HG2 THR 6 1HG2 THR 6 18.783 -1.577 -3.642
36 2HG2 THR 6 2HG2 THR 6 18.709 -0.422 -2.300
37 3HG2 THR 6 3HG2 THR 6 17.215 -0.937 -3.099
38 H TYR 7 H TYR 7 21.007 -1.380 0.169
39 HA TYR 7 HA TYR 7 20.536 -2.697 2.728
40 1HB TYR 7 1HB TYR 7 22.264 -0.458 1.727
41 2HB TYR 7 2HB TYR 7 21.792 -0.390 3.409
42 HD1 TYR 7 HD1 TYR 7 22.941 -3.096 1.030
43 HD2 TYR 7 HD2 TYR 7 23.320 -1.276 4.910
44 HE1 TYR 7 HE1 TYR 7 24.694 -4.754 1.618
45 HE2 TYR 7 HE2 TYR 7 25.008 -2.942 5.546
46 HH TYR 7 HH TYR 7 25.714 -5.292 4.850
47 HA PRO 8 HA PRO 8 17.000 -0.384 3.907
48 1HB PRO 8 1HB PRO 8 17.143 -0.334 6.628
49 2HB PRO 8 2HB PRO 8 16.992 -1.872 5.732
50 1HG PRO 8 1HG PRO 8 19.567 -0.580 6.710
51 2HG PRO 8 2HG PRO 8 18.977 -2.235 7.047
52 1HD PRO 8 1HD PRO 8 20.686 -1.791 5.018
53 2HD PRO 8 2HD PRO 8 19.315 -2.924 4.801
54 H GLY 9 H GLY 9 16.370 1.573 5.439
55 1HA GLY 9 1HA GLY 9 16.794 3.703 6.269
56 2HA GLY 9 2HA GLY 9 18.494 3.569 5.799
57 HA PRO 11 HA PRO 11 13.557 6.160 -4.108
58 1HB PRO 11 1HB PRO 11 12.375 4.523 -2.299
59 2HB PRO 11 2HB PRO 11 14.129 4.475 -2.643
60 1HG PRO 11 1HG PRO 11 12.756 5.923 -0.357
61 2HG PRO 11 2HG PRO 11 14.153 4.809 -0.267
62 1HD PRO 11 1HD PRO 11 14.469 7.489 -0.350
63 2HD PRO 11 2HD PRO 11 15.613 6.399 -1.190
64 H VAL 12 H VAL 12 12.119 7.607 -5.033
65 HA VAL 12 HA VAL 12 9.940 8.882 -3.593
66 HB VAL 12 HB VAL 12 10.406 8.468 -6.576
67 1HG1 VAL 12 1HG1 VAL 12 8.071 9.140 -6.096
68 2HG1 VAL 12 2HG1 VAL 12 8.673 10.519 -5.158
69 3HG1 VAL 12 3HG1 VAL 12 8.966 10.436 -6.905
70 1HG2 VAL 12 1HG2 VAL 12 11.198 10.806 -4.786
71 2HG2 VAL 12 2HG2 VAL 12 12.311 9.690 -5.604
72 3HG2 VAL 12 3HG2 VAL 12 11.319 10.780 -6.561
73 H GLU 13 H GLU 13 10.186 6.071 -5.839
74 HA GLU 13 HA GLU 13 7.438 5.443 -5.917
75 1HB GLU 13 1HB GLU 13 9.894 3.639 -6.171
76 2HB GLU 13 2HB GLU 13 8.249 3.121 -6.501
77 1HG GLU 13 1HG GLU 13 9.258 3.657 -8.587
78 2HG GLU 13 2HG GLU 13 8.019 4.863 -8.251
79 H ASP 14 H ASP 14 9.925 4.429 -3.546
80 HA ASP 14 HA ASP 14 8.281 2.502 -2.276
81 1HB ASP 14 1HB ASP 14 10.789 2.738 -2.088
82 2HB ASP 14 2HB ASP 14 10.517 4.077 -0.957
83 H LEU 15 H LEU 15 8.802 5.916 -1.575
84 HA LEU 15 HA LEU 15 7.324 6.104 0.821
85 1HB LEU 15 1HB LEU 15 8.815 7.861 0.129
86 2HB LEU 15 2HB LEU 15 7.962 8.073 -1.408
87 HG LEU 15 HG LEU 15 5.984 8.916 -0.229
88 1HD1 LEU 15 1HD1 LEU 15 6.304 7.800 1.984
89 2HD1 LEU 15 2HD1 LEU 15 6.190 9.557 2.196
90 3HD1 LEU 15 3HD1 LEU 15 7.770 8.738 2.242
91 1HD2 LEU 15 1HD2 LEU 15 7.674 10.492 -1.069
92 2HD2 LEU 15 2HD2 LEU 15 8.526 10.419 0.501
93 3HD2 LEU 15 3HD2 LEU 15 6.893 11.097 0.393
94 H ILE 16 H ILE 16 6.334 6.465 -2.573
95 HA ILE 16 HA ILE 16 3.565 7.062 -1.974
96 HB ILE 16 HB ILE 16 4.963 6.115 -4.502
97 1HG1 ILE 16 1HG1 ILE 16 5.765 8.314 -3.835
98 2HG1 ILE 16 2HG1 ILE 16 4.759 8.449 -5.257
99 1HG2 ILE 16 1HG2 ILE 16 2.917 6.990 -5.699
100 2HG2 ILE 16 2HG2 ILE 16 2.660 5.507 -4.768
101 3HG2 ILE 16 3HG2 ILE 16 2.105 7.057 -4.122
102 1HD1 ILE 16 1HD1 ILE 16 3.992 9.215 -2.415
103 2HD1 ILE 16 2HD1 ILE 16 4.280 10.285 -3.793
104 3HD1 ILE 16 3HD1 ILE 16 2.867 9.234 -3.797
105 H ARG 17 H ARG 17 5.346 4.047 -2.842
106 HA ARG 17 HA ARG 17 3.116 2.361 -2.977
107 1HB ARG 17 1HB ARG 17 5.413 1.727 -3.660
108 2HB ARG 17 2HB ARG 17 5.958 1.683 -1.993
109 1HG ARG 17 1HG ARG 17 3.600 0.004 -2.811
110 2HG ARG 17 2HG ARG 17 5.188 -0.519 -3.308
111 1HD ARG 17 1HD ARG 17 4.758 0.100 -0.394
112 2HD ARG 17 2HD ARG 17 4.050 -1.358 -1.058
113 HE ARG 17 HE ARG 17 6.863 -0.794 -0.568
114 1HH1 ARG 17 1HH1 ARG 17 4.626 -2.950 -2.408
115 2HH1 ARG 17 2HH1 ARG 17 5.654 -4.329 -2.104
116 1HH2 ARG 17 1HH2 ARG 17 8.155 -2.565 -0.396
117 2HH2 ARG 17 2HH2 ARG 17 7.594 -4.130 -0.982
118 H PHE 18 H PHE 18 5.129 3.131 -0.090
119 HA PHE 18 HA PHE 18 3.753 1.436 1.687
120 1HB PHE 18 1HB PHE 18 5.943 2.467 2.140
121 2HB PHE 18 2HB PHE 18 5.184 4.051 2.260
122 HD1 PHE 18 HD1 PHE 18 4.482 4.822 4.394
123 HD2 PHE 18 HD2 PHE 18 4.996 0.589 3.755
124 HE1 PHE 18 HE1 PHE 18 3.924 4.395 6.767
125 HE2 PHE 18 HE2 PHE 18 4.412 0.153 6.123
126 HZ PHE 18 HZ PHE 18 3.891 2.062 7.649
127 H TYR 19 H TYR 19 2.779 4.583 0.423
128 HA TYR 19 HA TYR 19 0.722 4.972 2.480
129 1HB TYR 19 1HB TYR 19 2.032 6.800 1.231
130 2HB TYR 19 2HB TYR 19 1.056 6.433 -0.164
131 HD1 TYR 19 HD1 TYR 19 -1.203 7.305 -0.349
132 HD2 TYR 19 HD2 TYR 19 0.952 7.568 3.392
133 HE1 TYR 19 HE1 TYR 19 -2.936 8.797 0.555
134 HE2 TYR 19 HE2 TYR 19 -0.808 9.033 4.304
135 HH TYR 19 HH TYR 19 -2.860 10.048 3.919
136 H ASN 20 H ASN 20 0.843 4.377 -1.014
137 HA ASN 20 HA ASN 20 -1.876 4.039 -1.542
138 1HB ASN 20 1HB ASN 20 -0.085 4.344 -3.233
139 2HB ASN 20 2HB ASN 20 0.513 2.732 -2.899
140 1HD2 ASN 20 2HD2 ASN 20 -0.282 1.116 -4.211
141 2HD2 ASN 20 1HD2 ASN 20 -1.748 1.258 -5.203
142 H ASP 21 H ASP 21 0.386 1.601 -0.255
143 HA ASP 21 HA ASP 21 -1.179 -0.694 -0.863
144 1HB ASP 21 1HB ASP 21 1.164 -0.761 -0.061
145 2HB ASP 21 2HB ASP 21 0.630 -0.301 1.530
146 H LEU 22 H LEU 22 -1.462 1.557 1.916
147 HA LEU 22 HA LEU 22 -3.420 0.031 3.348
148 1HB LEU 22 1HB LEU 22 -2.924 3.061 3.284
149 2HB LEU 22 2HB LEU 22 -4.110 2.258 4.328
150 HG LEU 22 HG LEU 22 -2.077 0.820 5.137
151 1HD1 LEU 22 1HD1 LEU 22 -0.665 3.375 4.256
152 2HD1 LEU 22 2HD1 LEU 22 -0.460 1.822 3.457
153 3HD1 LEU 22 3HD1 LEU 22 0.055 1.992 5.126
154 1HD2 LEU 22 1HD2 LEU 22 -2.425 3.713 5.990
155 2HD2 LEU 22 2HD2 LEU 22 -1.609 2.438 6.925
156 3HD2 LEU 22 3HD2 LEU 22 -3.338 2.306 6.592
157 H GLN 23 H GLN 23 -3.592 2.559 0.905
158 HA GLN 23 HA GLN 23 -6.447 2.806 0.864
159 1HB GLN 23 1HB GLN 23 -4.452 3.461 -1.361
160 2HB GLN 23 2HB GLN 23 -6.102 4.083 -1.198
161 1HG GLN 23 1HG GLN 23 -5.444 5.204 0.936
162 2HG GLN 23 2HG GLN 23 -3.791 4.638 0.733
163 1HE2 GLN 23 2HE2 GLN 23 -5.388 7.413 0.527
164 2HE2 GLN 23 1HE2 GLN 23 -4.618 8.133 -0.853
165 H GLN 24 H GLN 24 -4.107 0.768 -0.904
166 HA GLN 24 HA GLN 24 -5.911 -0.329 -2.762
167 1HB GLN 24 1HB GLN 24 -3.338 -0.430 -2.764
168 2HB GLN 24 2HB GLN 24 -3.501 -1.752 -1.593
169 1HG GLN 24 1HG GLN 24 -4.961 -2.932 -3.331
170 2HG GLN 24 2HG GLN 24 -4.485 -1.674 -4.472
171 1HE2 GLN 24 2HE2 GLN 24 -3.962 -4.652 -4.497
172 2HE2 GLN 24 1HE2 GLN 24 -2.227 -4.754 -4.645
173 H TYR 25 H TYR 25 -5.056 -1.279 0.522
174 HA TYR 25 HA TYR 25 -6.574 -3.746 0.680
175 1HB TYR 25 1HB TYR 25 -4.755 -2.983 2.259
176 2HB TYR 25 2HB TYR 25 -5.862 -1.776 2.893
177 HD1 TYR 25 HD1 TYR 25 -7.111 -2.330 4.816
178 HD2 TYR 25 HD2 TYR 25 -5.686 -5.479 2.237
179 HE1 TYR 25 HE1 TYR 25 -7.903 -4.001 6.432
180 HE2 TYR 25 HE2 TYR 25 -6.524 -7.174 3.859
181 HH TYR 25 HH TYR 25 -8.263 -6.203 6.822
182 H LEU 26 H LEU 26 -7.409 -0.389 1.720
183 HA LEU 26 HA LEU 26 -10.128 -1.026 2.151
184 1HB LEU 26 1HB LEU 26 -8.790 1.578 1.324
185 2HB LEU 26 2HB LEU 26 -10.475 1.509 1.786
186 HG LEU 26 HG LEU 26 -8.285 0.573 3.651
187 1HD1 LEU 26 1HD1 LEU 26 -8.384 2.778 4.742
188 2HD1 LEU 26 2HD1 LEU 26 -9.449 3.374 3.460
189 3HD1 LEU 26 3HD1 LEU 26 -7.762 2.892 3.092
190 1HD2 LEU 26 1HD2 LEU 26 -9.970 0.963 5.388
191 2HD2 LEU 26 2HD2 LEU 26 -10.652 -0.102 4.143
192 3HD2 LEU 26 3HD2 LEU 26 -11.103 1.614 4.184
193 H ASN 27 H ASN 27 -8.524 -0.618 -0.740
194 HA ASN 27 HA ASN 27 -10.929 -0.161 -2.311
195 1HB ASN 27 1HB ASN 27 -8.219 0.306 -2.844
196 2HB ASN 27 2HB ASN 27 -8.534 -1.104 -3.835
197 1HD2 ASN 27 2HD2 ASN 27 -9.734 2.225 -3.078
198 2HD2 ASN 27 1HD2 ASN 27 -10.294 2.511 -4.719
199 H VAL 28 H VAL 28 -9.696 -2.923 -1.088
200 HA VAL 28 HA VAL 28 -11.335 -4.536 -2.987
201 HB VAL 28 HB VAL 28 -8.713 -5.370 -1.687
202 1HG1 VAL 28 1HG1 VAL 28 -10.409 -6.775 -3.804
203 2HG1 VAL 28 2HG1 VAL 28 -8.785 -7.290 -3.281
204 3HG1 VAL 28 3HG1 VAL 28 -10.122 -7.319 -2.131
205 1HG2 VAL 28 1HG2 VAL 28 -8.244 -3.698 -3.474
206 2HG2 VAL 28 2HG2 VAL 28 -7.714 -5.302 -3.942
207 3HG2 VAL 28 3HG2 VAL 28 -9.215 -4.652 -4.613
208 H VAL 29 H VAL 29 -10.672 -3.565 0.195
209 HA VAL 29 HA VAL 29 -12.136 -5.880 1.329
210 HB VAL 29 HB VAL 29 -10.593 -3.570 2.550
211 1HG1 VAL 29 1HG1 VAL 29 -11.050 -4.732 4.757
212 2HG1 VAL 29 2HG1 VAL 29 -12.515 -4.024 4.066
213 3HG1 VAL 29 3HG1 VAL 29 -12.235 -5.766 3.941
214 1HG2 VAL 29 1HG2 VAL 29 -10.210 -6.592 2.650
215 2HG2 VAL 29 2HG2 VAL 29 -9.306 -5.479 1.609
216 3HG2 VAL 29 3HG2 VAL 29 -9.167 -5.346 3.356
217 H THR 30 H THR 30 -12.549 -2.359 1.662
218 HA THR 30 HA THR 30 -15.316 -2.706 2.335
219 HB THR 30 HB THR 30 -15.000 -0.070 1.339
220 HG1 THR 30 HG1 THR 30 -13.169 0.638 2.140
221 1HG2 THR 30 1HG2 THR 30 -16.337 -0.696 3.279
222 2HG2 THR 30 2HG2 THR 30 -15.177 0.579 3.697
223 3HG2 THR 30 3HG2 THR 30 -14.868 -1.104 4.185
224 H ARG 31 H ARG 31 -13.652 -2.132 -0.724
225 HA ARG 31 HA ARG 31 -15.974 -1.720 -2.281
226 1HB ARG 31 1HB ARG 31 -13.398 -1.340 -2.719
227 2HB ARG 31 2HB ARG 31 -13.487 -2.957 -3.426
228 1HG ARG 31 1HG ARG 31 -15.181 -2.168 -5.027
229 2HG ARG 31 2HG ARG 31 -15.295 -0.610 -4.172
230 1HD ARG 31 1HD ARG 31 -12.898 -0.163 -4.730
231 2HD ARG 31 2HD ARG 31 -12.869 -1.656 -5.691
232 HE ARG 31 HE ARG 31 -15.066 -0.123 -6.539
233 1HH1 ARG 31 1HH1 ARG 31 -11.488 0.228 -6.549
234 2HH1 ARG 31 2HH1 ARG 31 -11.472 1.163 -7.988
235 1HH2 ARG 31 1HH2 ARG 31 -14.992 1.243 -8.411
236 2HH2 ARG 31 2HH2 ARG 31 -13.476 1.827 -9.001
237 H HIS 32 H HIS 32 -15.336 -4.507 -0.629
238 HA HIS 32 HA HIS 32 -16.763 -6.237 -2.579
239 1HB HIS 32 1HB HIS 32 -14.304 -6.710 -2.133
240 2HB HIS 32 2HB HIS 32 -14.751 -7.119 -0.477
241 HD1 HIS 32 HD1 HIS 32 -17.027 -9.120 -0.747
242 HD2 HIS 32 HD2 HIS 32 -13.984 -8.684 -3.609
243 HE1 HIS 32 HE1 HIS 32 -16.933 -11.341 -2.004
244 H ARG 33 H ARG 33 -17.167 -4.425 0.195
245 HA ARG 33 HA ARG 33 -19.250 -6.289 1.263
246 1HB ARG 33 1HB ARG 33 -17.342 -4.551 2.898
247 2HB ARG 33 2HB ARG 33 -18.663 -5.524 3.548
248 1HG ARG 33 1HG ARG 33 -16.254 -6.655 2.047
249 2HG ARG 33 2HG ARG 33 -16.365 -6.548 3.785
250 1HD ARG 33 1HD ARG 33 -18.609 -7.962 2.309
251 2HD ARG 33 2HD ARG 33 -17.048 -8.746 2.426
252 HE ARG 33 HE ARG 33 -18.930 -8.112 4.611
253 1HH1 ARG 33 1HH1 ARG 33 -15.875 -9.648 3.598
254 2HH1 ARG 33 2HH1 ARG 33 -15.549 -10.381 5.110
255 1HH2 ARG 33 1HH2 ARG 33 -18.360 -8.794 6.702
256 2HH2 ARG 33 2HH2 ARG 33 -17.071 -9.941 6.951
257 H TYR 34 H TYR 34 -18.056 -2.924 1.488
258 HA TYR 34 HA TYR 34 -20.722 -1.869 1.936
259 1HB TYR 34 1HB TYR 34 -18.610 -1.020 2.962
260 2HB TYR 34 2HB TYR 34 -18.002 -0.603 1.370
261 HD1 TYR 34 HD1 TYR 34 -18.891 1.273 0.123
262 HD2 TYR 34 HD2 TYR 34 -20.301 0.358 4.103
263 HE1 TYR 34 HE1 TYR 34 -19.857 3.509 0.279
264 HE2 TYR 34 HE2 TYR 34 -21.239 2.647 4.300
265 HH TYR 34 HH TYR 34 -20.870 5.011 1.619
266 1HN NH2 35 1H NH2 35 -18.260 -1.934 -0.726
267 2HN NH2 35 2H NH2 35 -19.472 -1.841 -2.009
268 2HN ZAB 10 H AZO 10 15.401 3.283 4.038
269 2HA ZAB 10 2HA AZO 10 16.358 4.809 1.714
270 3HA ZAB 10 3HA AZO 10 14.760 4.040 1.942
271 HG2 ZAB 10 HG2 AZO 10 13.045 5.134 3.430
272 HD2 ZAB 10 HD2 AZO 10 12.224 7.264 4.424
273 HE ZAB 10 HE AZO 10 13.687 9.276 4.469
274 HG1 ZAB 10 HG1 AZO 10 16.779 7.051 2.457
275 HJ2 ZAB 10 HJ2 AZO 10 13.851 10.956 2.477
276 HK2 ZAB 10 HK2 AZO 10 12.356 11.036 0.499
277 HL ZAB 10 HL AZO 10 13.205 10.325 -1.721
278 HJ1 ZAB 10 HJ1 AZO 10 17.056 9.432 0.063
279 2HM ZAB 10 2HM AZO 10 15.988 10.068 -2.953
280 3HM ZAB 10 3HM AZO 10 16.561 8.638 -2.105
Start of MODEL 3
1 1H GLY 1 H GLY 1 -14.517 21.637 10.019
2 1HA GLY 1 1HA GLY 1 -13.287 19.045 9.268
3 2HA GLY 1 2HA GLY 1 -13.292 20.466 8.204
4 HA PRO 2 HA PRO 2 -10.166 21.028 11.841
5 1HB PRO 2 1HB PRO 2 -8.238 19.101 11.826
6 2HB PRO 2 2HB PRO 2 -9.799 18.878 12.677
7 1HG PRO 2 1HG PRO 2 -9.063 17.925 9.893
8 2HG PRO 2 2HG PRO 2 -9.752 16.958 11.237
9 1HD PRO 2 1HD PRO 2 -11.325 18.034 9.296
10 2HD PRO 2 2HD PRO 2 -11.878 17.972 10.994
11 H SER 3 H SER 3 -7.920 21.813 11.579
12 HA SER 3 HA SER 3 -7.391 22.807 8.926
13 1HB SER 3 1HB SER 3 -5.277 23.627 10.246
14 2HB SER 3 2HB SER 3 -6.864 24.326 10.571
15 HG SER 3 HG SER 3 -5.782 23.834 12.468
16 H GLN 4 H GLN 4 -5.403 22.443 7.784
17 HA GLN 4 HA GLN 4 -4.310 19.673 8.056
18 1HB GLN 4 1HB GLN 4 -4.621 21.532 5.658
19 2HB GLN 4 2HB GLN 4 -3.713 20.027 5.611
20 1HG GLN 4 1HG GLN 4 -5.786 18.794 6.314
21 2HG GLN 4 2HG GLN 4 -6.680 20.315 6.184
22 1HE2 GLN 4 2HE2 GLN 4 -7.112 17.818 4.644
23 2HE2 GLN 4 1HE2 GLN 4 -6.903 18.256 2.955
24 HA PRO 5 HA PRO 5 -0.395 21.590 8.919
25 1HB PRO 5 1HB PRO 5 1.460 19.876 7.861
26 2HB PRO 5 2HB PRO 5 0.439 19.421 9.257
27 1HG PRO 5 1HG PRO 5 -0.026 18.781 6.320
28 2HG PRO 5 2HG PRO 5 -0.055 17.650 7.706
29 1HD PRO 5 1HD PRO 5 -2.333 18.731 6.701
30 2HD PRO 5 2HD PRO 5 -2.141 18.483 8.460
31 H THR 6 H THR 6 1.483 22.668 7.828
32 HA THR 6 HA THR 6 1.054 23.123 4.922
33 HB THR 6 HB THR 6 2.202 25.232 6.737
34 HG1 THR 6 HG1 THR 6 -0.301 25.813 6.463
35 1HG2 THR 6 1HG2 THR 6 2.147 25.611 4.266
36 2HG2 THR 6 2HG2 THR 6 1.130 26.759 5.140
37 3HG2 THR 6 3HG2 THR 6 0.384 25.389 4.293
38 H TYR 7 H TYR 7 2.992 21.612 6.990
39 HA TYR 7 HA TYR 7 5.656 22.345 6.040
40 1HB TYR 7 1HB TYR 7 4.597 19.906 7.548
41 2HB TYR 7 2HB TYR 7 6.284 20.296 7.386
42 HD1 TYR 7 HD1 TYR 7 4.391 19.843 9.860
43 HD2 TYR 7 HD2 TYR 7 6.162 23.347 8.047
44 HE1 TYR 7 HE1 TYR 7 4.457 20.933 12.052
45 HE2 TYR 7 HE2 TYR 7 6.230 24.445 10.272
46 HH TYR 7 HH TYR 7 5.351 22.672 13.258
47 HA PRO 8 HA PRO 8 5.766 19.554 2.563
48 1HB PRO 8 1HB PRO 8 8.282 18.445 2.602
49 2HB PRO 8 2HB PRO 8 7.960 20.160 2.191
50 1HG PRO 8 1HG PRO 8 8.783 19.018 4.882
51 2HG PRO 8 2HG PRO 8 9.519 20.391 3.995
52 1HD PRO 8 1HD PRO 8 7.699 20.832 5.933
53 2HD PRO 8 2HD PRO 8 7.644 21.791 4.431
54 H GLY 9 H GLY 9 5.372 17.357 2.056
55 1HA GLY 9 1HA GLY 9 4.996 15.516 4.340
56 2HA GLY 9 2HA GLY 9 4.259 15.411 2.741
57 HA PRO 11 HA PRO 11 12.736 9.964 -3.397
58 1HB PRO 11 1HB PRO 11 11.766 7.626 -2.528
59 2HB PRO 11 2HB PRO 11 13.498 7.963 -2.472
60 1HG PRO 11 1HG PRO 11 11.482 8.322 -0.208
61 2HG PRO 11 2HG PRO 11 13.025 7.404 -0.148
62 1HD PRO 11 1HD PRO 11 12.725 9.999 0.686
63 2HD PRO 11 2HD PRO 11 14.249 9.417 -0.046
64 H VAL 12 H VAL 12 10.592 8.681 -3.947
65 HA VAL 12 HA VAL 12 8.167 9.957 -2.832
66 HB VAL 12 HB VAL 12 8.672 9.757 -5.828
67 1HG1 VAL 12 1HG1 VAL 12 6.830 11.345 -5.983
68 2HG1 VAL 12 2HG1 VAL 12 6.331 9.955 -5.030
69 3HG1 VAL 12 3HG1 VAL 12 6.740 11.472 -4.205
70 1HG2 VAL 12 1HG2 VAL 12 9.217 12.234 -4.155
71 2HG2 VAL 12 2HG2 VAL 12 10.393 11.326 -5.128
72 3HG2 VAL 12 3HG2 VAL 12 9.085 12.194 -5.922
73 H GLU 13 H GLU 13 9.613 7.431 -4.966
74 HA GLU 13 HA GLU 13 7.297 5.967 -5.489
75 1HB GLU 13 1HB GLU 13 10.174 5.004 -5.214
76 2HB GLU 13 2HB GLU 13 8.885 4.070 -5.958
77 1HG GLU 13 1HG GLU 13 9.987 6.726 -6.938
78 2HG GLU 13 2HG GLU 13 10.259 5.152 -7.639
79 H ASP 14 H ASP 14 8.919 6.065 -2.424
80 HA ASP 14 HA ASP 14 7.725 3.507 -1.516
81 1HB ASP 14 1HB ASP 14 9.040 3.871 0.525
82 2HB ASP 14 2HB ASP 14 10.057 3.788 -0.919
83 H LEU 15 H LEU 15 7.525 7.015 -1.214
84 HA LEU 15 HA LEU 15 5.749 7.062 1.050
85 1HB LEU 15 1HB LEU 15 7.014 9.025 0.445
86 2HB LEU 15 2HB LEU 15 6.345 9.031 -1.187
87 HG LEU 15 HG LEU 15 4.113 9.530 -0.322
88 1HD1 LEU 15 1HD1 LEU 15 5.454 9.676 2.424
89 2HD1 LEU 15 2HD1 LEU 15 4.183 8.533 1.932
90 3HD1 LEU 15 3HD1 LEU 15 3.816 10.253 2.054
91 1HD2 LEU 15 1HD2 LEU 15 4.576 11.847 0.354
92 2HD2 LEU 15 2HD2 LEU 15 5.633 11.347 -0.978
93 3HD2 LEU 15 3HD2 LEU 15 6.264 11.434 0.690
94 H ILE 16 H ILE 16 5.201 7.376 -2.491
95 HA ILE 16 HA ILE 16 2.376 7.194 -2.307
96 HB ILE 16 HB ILE 16 4.235 6.496 -4.628
97 1HG1 ILE 16 1HG1 ILE 16 2.591 9.010 -4.038
98 2HG1 ILE 16 2HG1 ILE 16 4.322 8.862 -3.755
99 1HG2 ILE 16 1HG2 ILE 16 2.119 6.806 -6.040
100 2HG2 ILE 16 2HG2 ILE 16 2.091 5.381 -5.017
101 3HG2 ILE 16 3HG2 ILE 16 1.188 6.813 -4.526
102 1HD1 ILE 16 1HD1 ILE 16 2.964 8.786 -6.470
103 2HD1 ILE 16 2HD1 ILE 16 4.011 10.039 -5.809
104 3HD1 ILE 16 3HD1 ILE 16 4.687 8.438 -6.184
105 H ARG 17 H ARG 17 4.850 4.594 -2.605
106 HA ARG 17 HA ARG 17 2.864 2.557 -2.954
107 1HB ARG 17 1HB ARG 17 5.218 2.288 -3.664
108 2HB ARG 17 2HB ARG 17 5.749 2.349 -1.970
109 1HG ARG 17 1HG ARG 17 4.491 0.245 -1.521
110 2HG ARG 17 2HG ARG 17 3.978 0.206 -3.225
111 1HD ARG 17 1HD ARG 17 6.869 0.238 -2.320
112 2HD ARG 17 2HD ARG 17 5.964 -1.258 -2.626
113 HE ARG 17 HE ARG 17 5.685 0.427 -4.885
114 1HH1 ARG 17 1HH1 ARG 17 8.289 -1.427 -3.342
115 2HH1 ARG 17 2HH1 ARG 17 8.980 -1.951 -4.843
116 1HH2 ARG 17 1HH2 ARG 17 6.739 0.096 -6.724
117 2HH2 ARG 17 2HH2 ARG 17 8.110 -0.982 -6.890
118 H PHE 18 H PHE 18 4.440 3.847 -0.041
119 HA PHE 18 HA PHE 18 3.424 1.923 1.777
120 1HB PHE 18 1HB PHE 18 5.266 3.439 2.246
121 2HB PHE 18 2HB PHE 18 4.242 4.845 2.006
122 HD1 PHE 18 HD1 PHE 18 2.446 5.405 3.686
123 HD2 PHE 18 HD2 PHE 18 5.521 2.459 4.400
124 HE1 PHE 18 HE1 PHE 18 2.195 5.712 6.124
125 HE2 PHE 18 HE2 PHE 18 5.263 2.757 6.810
126 HZ PHE 18 HZ PHE 18 3.613 4.437 7.705
127 H TYR 19 H TYR 19 2.107 4.909 0.352
128 HA TYR 19 HA TYR 19 -0.282 4.941 1.998
129 1HB TYR 19 1HB TYR 19 0.825 6.863 0.656
130 2HB TYR 19 2HB TYR 19 0.001 6.238 -0.743
131 HD1 TYR 19 HD1 TYR 19 -2.660 5.860 -0.458
132 HD2 TYR 19 HD2 TYR 19 -0.253 8.443 2.023
133 HE1 TYR 19 HE1 TYR 19 -4.693 7.056 0.260
134 HE2 TYR 19 HE2 TYR 19 -2.269 9.682 2.700
135 HH TYR 19 HH TYR 19 -4.599 9.943 2.347
136 H ASN 20 H ASN 20 0.505 3.939 -1.285
137 HA ASN 20 HA ASN 20 -2.058 3.047 -2.129
138 1HB ASN 20 1HB ASN 20 -0.194 3.338 -3.724
139 2HB ASN 20 2HB ASN 20 0.683 2.011 -2.962
140 1HD2 ASN 20 2HD2 ASN 20 0.554 0.154 -4.201
141 2HD2 ASN 20 1HD2 ASN 20 -0.815 -0.291 -5.182
142 H ASP 21 H ASP 21 0.436 1.270 -0.288
143 HA ASP 21 HA ASP 21 -0.793 -1.292 -0.381
144 1HB ASP 21 1HB ASP 21 1.360 -1.320 0.509
145 2HB ASP 21 2HB ASP 21 1.101 0.136 1.466
146 H LEU 22 H LEU 22 -1.134 1.315 2.043
147 HA LEU 22 HA LEU 22 -3.159 0.034 3.569
148 1HB LEU 22 1HB LEU 22 -2.510 2.988 3.182
149 2HB LEU 22 2HB LEU 22 -3.590 2.369 4.420
150 HG LEU 22 HG LEU 22 -0.641 1.614 4.196
151 1HD1 LEU 22 1HD1 LEU 22 -0.328 3.157 6.082
152 2HD1 LEU 22 2HD1 LEU 22 -2.042 3.620 6.002
153 3HD1 LEU 22 3HD1 LEU 22 -0.926 3.998 4.661
154 1HD2 LEU 22 1HD2 LEU 22 -0.953 0.843 6.542
155 2HD2 LEU 22 2HD2 LEU 22 -1.884 -0.114 5.392
156 3HD2 LEU 22 3HD2 LEU 22 -2.699 1.119 6.395
157 H GLN 23 H GLN 23 -3.370 2.431 0.898
158 HA GLN 23 HA GLN 23 -6.194 2.645 0.949
159 1HB GLN 23 1HB GLN 23 -4.781 4.349 0.039
160 2HB GLN 23 2HB GLN 23 -4.080 3.247 -1.157
161 1HG GLN 23 1HG GLN 23 -5.951 3.277 -2.507
162 2HG GLN 23 2HG GLN 23 -7.037 3.580 -1.157
163 1HE2 GLN 23 2HE2 GLN 23 -4.484 5.184 -3.081
164 2HE2 GLN 23 1HE2 GLN 23 -5.139 6.795 -2.939
165 H GLN 24 H GLN 24 -4.031 0.284 -0.644
166 HA GLN 24 HA GLN 24 -5.947 -0.846 -2.416
167 1HB GLN 24 1HB GLN 24 -3.536 -1.200 -2.659
168 2HB GLN 24 2HB GLN 24 -3.493 -2.039 -1.113
169 1HG GLN 24 1HG GLN 24 -5.077 -3.761 -2.105
170 2HG GLN 24 2HG GLN 24 -4.872 -2.955 -3.660
171 1HE2 GLN 24 2HE2 GLN 24 -3.143 -3.648 -4.877
172 2HE2 GLN 24 1HE2 GLN 24 -1.766 -4.549 -4.293
173 H TYR 25 H TYR 25 -4.932 -1.593 0.879
174 HA TYR 25 HA TYR 25 -6.700 -3.762 1.367
175 1HB TYR 25 1HB TYR 25 -4.704 -2.947 2.735
176 2HB TYR 25 2HB TYR 25 -5.773 -1.756 3.444
177 HD1 TYR 25 HD1 TYR 25 -7.264 -2.366 5.244
178 HD2 TYR 25 HD2 TYR 25 -5.183 -5.415 3.005
179 HE1 TYR 25 HE1 TYR 25 -7.832 -4.040 6.993
180 HE2 TYR 25 HE2 TYR 25 -5.773 -7.091 4.728
181 HH TYR 25 HH TYR 25 -7.263 -6.196 7.824
182 H LEU 26 H LEU 26 -7.455 -0.436 0.941
183 HA LEU 26 HA LEU 26 -10.135 -0.760 2.153
184 1HB LEU 26 1HB LEU 26 -8.587 1.764 1.467
185 2HB LEU 26 2HB LEU 26 -10.220 1.738 2.129
186 HG LEU 26 HG LEU 26 -7.791 0.552 3.531
187 1HD1 LEU 26 1HD1 LEU 26 -9.211 3.190 4.014
188 2HD1 LEU 26 2HD1 LEU 26 -7.578 2.991 3.310
189 3HD1 LEU 26 3HD1 LEU 26 -7.886 2.534 4.994
190 1HD2 LEU 26 1HD2 LEU 26 -9.853 -0.508 4.324
191 2HD2 LEU 26 2HD2 LEU 26 -10.620 1.089 4.527
192 3HD2 LEU 26 3HD2 LEU 26 -9.260 0.608 5.554
193 H ASN 27 H ASN 27 -8.632 -0.984 -0.792
194 HA ASN 27 HA ASN 27 -11.008 -0.166 -2.351
195 1HB ASN 27 1HB ASN 27 -8.013 -0.124 -2.771
196 2HB ASN 27 2HB ASN 27 -8.976 -0.620 -4.112
197 1HD2 ASN 27 2HD2 ASN 27 -8.398 2.041 -1.853
198 2HD2 ASN 27 1HD2 ASN 27 -9.215 3.274 -2.838
199 H VAL 28 H VAL 28 -9.210 -2.838 -1.232
200 HA VAL 28 HA VAL 28 -10.507 -4.611 -3.194
201 HB VAL 28 HB VAL 28 -8.012 -5.005 -1.512
202 1HG1 VAL 28 1HG1 VAL 28 -8.999 -7.196 -2.035
203 2HG1 VAL 28 2HG1 VAL 28 -9.147 -6.742 -3.753
204 3HG1 VAL 28 3HG1 VAL 28 -7.555 -6.960 -3.009
205 1HG2 VAL 28 1HG2 VAL 28 -8.302 -4.469 -4.520
206 2HG2 VAL 28 2HG2 VAL 28 -7.622 -3.338 -3.341
207 3HG2 VAL 28 3HG2 VAL 28 -6.781 -4.841 -3.691
208 H VAL 29 H VAL 29 -10.591 -3.642 0.003
209 HA VAL 29 HA VAL 29 -12.283 -6.027 0.700
210 HB VAL 29 HB VAL 29 -10.917 -4.135 2.610
211 1HG1 VAL 29 1HG1 VAL 29 -12.874 -5.319 3.542
212 2HG1 VAL 29 2HG1 VAL 29 -12.177 -6.875 3.038
213 3HG1 VAL 29 3HG1 VAL 29 -11.379 -5.896 4.283
214 1HG2 VAL 29 1HG2 VAL 29 -9.269 -5.933 3.075
215 2HG2 VAL 29 2HG2 VAL 29 -9.929 -6.884 1.735
216 3HG2 VAL 29 3HG2 VAL 29 -9.122 -5.333 1.428
217 H THR 30 H THR 30 -12.073 -2.544 1.390
218 HA THR 30 HA THR 30 -14.818 -2.446 2.150
219 HB THR 30 HB THR 30 -13.519 0.099 1.304
220 HG1 THR 30 HG1 THR 30 -12.081 0.084 2.925
221 1HG2 THR 30 1HG2 THR 30 -15.697 -0.061 2.536
222 2HG2 THR 30 2HG2 THR 30 -14.483 0.917 3.365
223 3HG2 THR 30 3HG2 THR 30 -14.838 -0.746 3.921
224 H ARG 31 H ARG 31 -13.372 -2.249 -1.068
225 HA ARG 31 HA ARG 31 -15.430 -0.697 -2.273
226 1HB ARG 31 1HB ARG 31 -13.369 -0.957 -3.400
227 2HB ARG 31 2HB ARG 31 -13.414 -2.693 -3.243
228 1HG ARG 31 1HG ARG 31 -13.690 -2.063 -5.531
229 2HG ARG 31 2HG ARG 31 -15.161 -2.870 -4.967
230 1HD ARG 31 1HD ARG 31 -16.366 -0.838 -4.868
231 2HD ARG 31 2HD ARG 31 -14.886 0.147 -4.874
232 HE ARG 31 HE ARG 31 -15.050 -1.367 -7.290
233 1HH1 ARG 31 1HH1 ARG 31 -16.434 1.428 -5.693
234 2HH1 ARG 31 2HH1 ARG 31 -16.456 2.473 -7.079
235 1HH2 ARG 31 1HH2 ARG 31 -15.123 -0.164 -9.136
236 2HH2 ARG 31 2HH2 ARG 31 -15.671 1.483 -9.185
237 H HIS 32 H HIS 32 -15.283 -3.961 -1.300
238 HA HIS 32 HA HIS 32 -17.948 -4.602 -2.388
239 1HB HIS 32 1HB HIS 32 -15.582 -6.180 -1.481
240 2HB HIS 32 2HB HIS 32 -17.115 -6.912 -1.206
241 HD1 HIS 32 HD1 HIS 32 -18.692 -7.348 -3.501
242 HD2 HIS 32 HD2 HIS 32 -14.738 -5.968 -4.042
243 HE1 HIS 32 HE1 HIS 32 -18.130 -7.672 -5.953
244 H ARG 33 H ARG 33 -17.437 -2.680 -0.045
245 HA ARG 33 HA ARG 33 -19.506 -3.913 1.661
246 1HB ARG 33 1HB ARG 33 -17.074 -4.233 2.596
247 2HB ARG 33 2HB ARG 33 -17.150 -2.514 2.959
248 1HG ARG 33 1HG ARG 33 -17.873 -3.529 4.947
249 2HG ARG 33 2HG ARG 33 -19.367 -3.012 4.197
250 1HD ARG 33 1HD ARG 33 -19.671 -5.268 5.064
251 2HD ARG 33 2HD ARG 33 -19.743 -5.319 3.319
252 HE ARG 33 HE ARG 33 -18.065 -6.779 3.296
253 1HH1 ARG 33 1HH1 ARG 33 -17.900 -5.292 6.509
254 2HH1 ARG 33 2HH1 ARG 33 -16.247 -5.699 6.809
255 1HH2 ARG 33 1HH2 ARG 33 -15.926 -7.620 3.812
256 2HH2 ARG 33 2HH2 ARG 33 -15.095 -7.002 5.211
257 H TYR 34 H TYR 34 -17.581 -0.851 1.341
258 HA TYR 34 HA TYR 34 -19.760 0.742 2.396
259 1HB TYR 34 1HB TYR 34 -17.407 1.306 2.762
260 2HB TYR 34 2HB TYR 34 -17.150 1.527 1.040
261 HD1 TYR 34 HD1 TYR 34 -18.353 3.461 -0.139
262 HD2 TYR 34 HD2 TYR 34 -18.176 3.053 4.155
263 HE1 TYR 34 HE1 TYR 34 -18.972 5.825 0.102
264 HE2 TYR 34 HE2 TYR 34 -18.792 5.444 4.409
265 HH TYR 34 HH TYR 34 -19.737 7.440 1.604
266 1HN NH2 35 1H NH2 35 -21.558 1.223 1.200
267 2HN NH2 35 2H NH2 35 -21.600 1.298 -0.547
268 2HN ZAB 10 H AZO 10 7.529 16.136 2.358
269 2HA ZAB 10 2HA AZO 10 8.634 13.437 2.519
270 3HA ZAB 10 3HA AZO 10 8.421 14.080 0.867
271 HG2 ZAB 10 HG2 AZO 10 9.808 14.937 4.250
272 HD2 ZAB 10 HD2 AZO 10 11.762 16.406 4.592
273 HE ZAB 10 HE AZO 10 12.854 17.517 2.646
274 HG1 ZAB 10 HG1 AZO 10 10.015 15.640 -0.005
275 HJ2 ZAB 10 HJ2 AZO 10 15.812 17.413 -0.171
276 HK2 ZAB 10 HK2 AZO 10 17.481 15.606 -0.062
277 HL ZAB 10 HL AZO 10 16.771 13.238 -0.106
278 HJ1 ZAB 10 HJ1 AZO 10 12.643 14.480 -0.395
279 2HM ZAB 10 2HM AZO 10 15.095 11.633 -0.086
280 3HM ZAB 10 3HM AZO 10 13.572 12.134 0.649
Start of MODEL 4
1 1H GLY 1 H GLY 1 30.380 16.565 3.273
2 1HA GLY 1 1HA GLY 1 32.860 17.721 4.428
3 2HA GLY 1 2HA GLY 1 31.487 18.690 3.818
4 HA PRO 2 HA PRO 2 30.671 17.963 8.299
5 1HB PRO 2 1HB PRO 2 29.334 20.289 8.838
6 2HB PRO 2 2HB PRO 2 31.120 20.208 8.750
7 1HG PRO 2 1HG PRO 2 29.184 21.073 6.580
8 2HG PRO 2 2HG PRO 2 30.669 21.912 7.131
9 1HD PRO 2 1HD PRO 2 30.636 20.289 4.932
10 2HD PRO 2 2HD PRO 2 32.063 20.367 6.012
11 H SER 3 H SER 3 28.622 17.583 9.354
12 HA SER 3 HA SER 3 26.099 17.757 7.952
13 1HB SER 3 1HB SER 3 27.667 15.161 8.140
14 2HB SER 3 2HB SER 3 25.927 15.108 8.387
15 HG SER 3 HG SER 3 25.900 14.881 6.386
16 H GLN 4 H GLN 4 24.444 16.580 9.243
17 HA GLN 4 HA GLN 4 24.739 15.831 11.941
18 1HB GLN 4 1HB GLN 4 23.283 17.636 12.892
19 2HB GLN 4 2HB GLN 4 24.918 18.155 12.522
20 1HG GLN 4 1HG GLN 4 24.210 19.441 10.639
21 2HG GLN 4 2HG GLN 4 22.618 18.655 10.601
22 1HE2 GLN 4 2HE2 GLN 4 21.388 20.579 10.861
23 2HE2 GLN 4 1HE2 GLN 4 21.274 21.313 12.459
24 HA PRO 5 HA PRO 5 21.013 14.088 10.327
25 1HB PRO 5 1HB PRO 5 19.736 13.091 12.481
26 2HB PRO 5 2HB PRO 5 21.347 12.507 11.997
27 1HG PRO 5 1HG PRO 5 20.722 14.509 14.165
28 2HG PRO 5 2HG PRO 5 21.838 13.101 14.202
29 1HD PRO 5 1HD PRO 5 22.639 15.698 13.690
30 2HD PRO 5 2HD PRO 5 23.486 14.250 13.061
31 H THR 6 H THR 6 19.124 14.858 9.588
32 HA THR 6 HA THR 6 17.486 16.737 11.165
33 HB THR 6 HB THR 6 18.249 17.150 8.241
34 HG1 THR 6 HG1 THR 6 19.881 18.143 8.874
35 1HG2 THR 6 1HG2 THR 6 17.283 19.440 8.607
36 2HG2 THR 6 2HG2 THR 6 16.643 18.869 10.168
37 3HG2 THR 6 3HG2 THR 6 16.100 18.135 8.644
38 H TYR 7 H TYR 7 15.255 16.616 10.418
39 HA TYR 7 HA TYR 7 13.439 15.315 10.089
40 1HB TYR 7 1HB TYR 7 13.914 16.813 8.124
41 2HB TYR 7 2HB TYR 7 14.539 15.412 7.272
42 HD1 TYR 7 HD1 TYR 7 11.522 16.924 8.846
43 HD2 TYR 7 HD2 TYR 7 13.045 13.814 6.266
44 HE1 TYR 7 HE1 TYR 7 9.223 16.430 8.099
45 HE2 TYR 7 HE2 TYR 7 10.761 13.297 5.541
46 HH TYR 7 HH TYR 7 7.935 15.211 6.646
47 HA PRO 8 HA PRO 8 15.721 11.225 10.040
48 1HB PRO 8 1HB PRO 8 14.763 10.275 12.469
49 2HB PRO 8 2HB PRO 8 16.227 11.282 12.281
50 1HG PRO 8 1HG PRO 8 13.475 12.154 13.082
51 2HG PRO 8 2HG PRO 8 15.063 12.641 13.754
52 1HD PRO 8 1HD PRO 8 13.675 14.165 11.954
53 2HD PRO 8 2HD PRO 8 15.463 14.102 11.992
54 H GLY 9 H GLY 9 14.688 10.158 8.443
55 1HA GLY 9 1HA GLY 9 11.831 9.361 8.783
56 2HA GLY 9 2HA GLY 9 12.700 9.503 7.250
57 HA PRO 11 HA PRO 11 13.835 8.819 0.360
58 1HB PRO 11 1HB PRO 11 12.437 6.517 0.767
59 2HB PRO 11 2HB PRO 11 14.224 6.578 0.786
60 1HG PRO 11 1HG PRO 11 12.333 6.644 3.160
61 2HG PRO 11 2HG PRO 11 13.788 5.627 2.928
62 1HD PRO 11 1HD PRO 11 13.839 7.964 4.353
63 2HD PRO 11 2HD PRO 11 15.236 7.437 3.366
64 H VAL 12 H VAL 12 11.875 9.008 -0.777
65 HA VAL 12 HA VAL 12 9.455 9.820 0.784
66 HB VAL 12 HB VAL 12 10.404 10.795 -1.925
67 1HG1 VAL 12 1HG1 VAL 12 7.943 10.868 -1.700
68 2HG1 VAL 12 2HG1 VAL 12 8.106 11.760 -0.176
69 3HG1 VAL 12 3HG1 VAL 12 8.624 12.492 -1.712
70 1HG2 VAL 12 1HG2 VAL 12 10.490 12.167 0.796
71 2HG2 VAL 12 2HG2 VAL 12 11.888 11.721 -0.202
72 3HG2 VAL 12 3HG2 VAL 12 10.784 12.992 -0.741
73 H GLU 13 H GLU 13 10.826 7.831 -1.847
74 HA GLU 13 HA GLU 13 8.355 6.962 -2.931
75 1HB GLU 13 1HB GLU 13 11.055 5.548 -2.701
76 2HB GLU 13 2HB GLU 13 9.698 4.953 -3.666
77 1HG GLU 13 1HG GLU 13 11.132 7.616 -4.063
78 2HG GLU 13 2HG GLU 13 11.315 6.178 -5.067
79 H ASP 14 H ASP 14 9.911 6.235 0.051
80 HA ASP 14 HA ASP 14 8.692 3.754 0.725
81 1HB ASP 14 1HB ASP 14 10.719 4.830 1.826
82 2HB ASP 14 2HB ASP 14 9.622 5.973 2.604
83 H LEU 15 H LEU 15 7.892 7.125 1.408
84 HA LEU 15 HA LEU 15 5.547 6.726 2.924
85 1HB LEU 15 1HB LEU 15 6.949 8.975 1.459
86 2HB LEU 15 2HB LEU 15 5.272 9.182 1.828
87 HG LEU 15 HG LEU 15 5.708 8.841 4.230
88 1HD1 LEU 15 1HD1 LEU 15 7.691 7.374 4.169
89 2HD1 LEU 15 2HD1 LEU 15 8.049 8.841 5.072
90 3HD1 LEU 15 3HD1 LEU 15 8.651 8.671 3.410
91 1HD2 LEU 15 1HD2 LEU 15 6.864 10.979 4.533
92 2HD2 LEU 15 2HD2 LEU 15 5.749 11.077 3.187
93 3HD2 LEU 15 3HD2 LEU 15 7.490 10.913 2.874
94 H ILE 16 H ILE 16 6.218 6.900 -0.521
95 HA ILE 16 HA ILE 16 3.453 7.264 -1.400
96 HB ILE 16 HB ILE 16 6.071 6.444 -2.740
97 1HG1 ILE 16 1HG1 ILE 16 5.829 8.851 -2.077
98 2HG1 ILE 16 2HG1 ILE 16 6.181 8.535 -3.766
99 1HG2 ILE 16 1HG2 ILE 16 4.516 5.265 -4.059
100 2HG2 ILE 16 2HG2 ILE 16 3.365 6.611 -4.055
101 3HG2 ILE 16 3HG2 ILE 16 4.897 6.742 -4.938
102 1HD1 ILE 16 1HD1 ILE 16 3.833 8.984 -4.377
103 2HD1 ILE 16 2HD1 ILE 16 3.442 9.277 -2.659
104 3HD1 ILE 16 3HD1 ILE 16 4.559 10.342 -3.536
105 H ARG 17 H ARG 17 5.761 4.436 -1.497
106 HA ARG 17 HA ARG 17 3.679 2.673 -2.212
107 1HB ARG 17 1HB ARG 17 5.192 0.846 -1.807
108 2HB ARG 17 2HB ARG 17 6.024 2.174 -2.618
109 1HG ARG 17 1HG ARG 17 6.868 2.878 -0.298
110 2HG ARG 17 2HG ARG 17 6.192 1.369 0.306
111 1HD ARG 17 1HD ARG 17 8.596 1.214 -0.066
112 2HD ARG 17 2HD ARG 17 7.715 0.085 -1.098
113 HE ARG 17 HE ARG 17 8.012 2.277 -2.713
114 1HH1 ARG 17 1HH1 ARG 17 10.360 0.324 -0.881
115 2HH1 ARG 17 2HH1 ARG 17 11.680 0.732 -1.920
116 1HH2 ARG 17 1HH2 ARG 17 9.729 2.614 -4.218
117 2HH2 ARG 17 2HH2 ARG 17 11.288 1.982 -3.893
118 H PHE 18 H PHE 18 4.703 3.560 1.086
119 HA PHE 18 HA PHE 18 3.184 1.617 2.449
120 1HB PHE 18 1HB PHE 18 4.804 3.192 3.463
121 2HB PHE 18 2HB PHE 18 3.707 4.531 3.164
122 HD1 PHE 18 HD1 PHE 18 2.251 5.198 4.947
123 HD2 PHE 18 HD2 PHE 18 3.844 1.181 4.893
124 HE1 PHE 18 HE1 PHE 18 1.461 4.835 7.269
125 HE2 PHE 18 HE2 PHE 18 2.958 0.804 7.167
126 HZ PHE 18 HZ PHE 18 1.782 2.641 8.372
127 H TYR 19 H TYR 19 2.227 4.746 1.043
128 HA TYR 19 HA TYR 19 -0.498 4.552 2.031
129 1HB TYR 19 1HB TYR 19 1.131 6.589 1.129
130 2HB TYR 19 2HB TYR 19 0.066 6.412 -0.227
131 HD1 TYR 19 HD1 TYR 19 -2.454 6.783 0.124
132 HD2 TYR 19 HD2 TYR 19 0.381 7.268 3.350
133 HE1 TYR 19 HE1 TYR 19 -4.200 7.859 1.507
134 HE2 TYR 19 HE2 TYR 19 -1.348 8.362 4.714
135 HH TYR 19 HH TYR 19 -3.698 8.601 4.895
136 H ASN 20 H ASN 20 1.156 3.717 -0.912
137 HA ASN 20 HA ASN 20 -1.197 3.437 -2.603
138 1HB ASN 20 1HB ASN 20 1.667 2.528 -2.864
139 2HB ASN 20 2HB ASN 20 0.433 1.870 -3.918
140 1HD2 ASN 20 2HD2 ASN 20 1.391 5.141 -2.675
141 2HD2 ASN 20 1HD2 ASN 20 0.988 5.997 -4.144
142 H ASP 21 H ASP 21 0.619 1.134 -0.508
143 HA ASP 21 HA ASP 21 -1.102 -1.060 -1.320
144 1HB ASP 21 1HB ASP 21 1.262 -1.239 -0.313
145 2HB ASP 21 2HB ASP 21 0.502 -0.969 1.258
146 H LEU 22 H LEU 22 -1.026 1.167 1.489
147 HA LEU 22 HA LEU 22 -3.179 -0.021 2.874
148 1HB LEU 22 1HB LEU 22 -1.961 2.748 2.876
149 2HB LEU 22 2HB LEU 22 -3.350 2.390 3.893
150 HG LEU 22 HG LEU 22 -0.747 0.820 3.994
151 1HD1 LEU 22 1HD1 LEU 22 -1.762 3.000 5.874
152 2HD1 LEU 22 2HD1 LEU 22 -0.465 3.200 4.656
153 3HD1 LEU 22 3HD1 LEU 22 -0.236 2.085 6.000
154 1HD2 LEU 22 1HD2 LEU 22 -2.650 -0.498 4.848
155 2HD2 LEU 22 2HD2 LEU 22 -3.159 0.863 5.878
156 3HD2 LEU 22 3HD2 LEU 22 -1.625 0.014 6.164
157 H GLN 23 H GLN 23 -3.281 2.562 0.370
158 HA GLN 23 HA GLN 23 -6.125 2.924 0.764
159 1HB GLN 23 1HB GLN 23 -6.119 4.326 -1.166
160 2HB GLN 23 2HB GLN 23 -4.647 4.648 -0.260
161 1HG GLN 23 1HG GLN 23 -3.495 3.056 -1.944
162 2HG GLN 23 2HG GLN 23 -4.972 3.168 -2.901
163 1HE2 GLN 23 2HE2 GLN 23 -2.400 5.042 -1.401
164 2HE2 GLN 23 1HE2 GLN 23 -2.439 6.454 -2.454
165 H GLN 24 H GLN 24 -4.159 0.822 -1.364
166 HA GLN 24 HA GLN 24 -6.295 -0.228 -2.885
167 1HB GLN 24 1HB GLN 24 -3.877 -0.443 -3.380
168 2HB GLN 24 2HB GLN 24 -3.718 -1.576 -2.036
169 1HG GLN 24 1HG GLN 24 -5.264 -3.146 -3.137
170 2HG GLN 24 2HG GLN 24 -5.489 -2.009 -4.475
171 1HE2 GLN 24 2HE2 GLN 24 -3.169 -1.221 -5.395
172 2HE2 GLN 24 1HE2 GLN 24 -1.982 -2.517 -5.602
173 H TYR 25 H TYR 25 -4.921 -1.188 0.215
174 HA TYR 25 HA TYR 25 -6.531 -3.469 0.704
175 1HB TYR 25 1HB TYR 25 -4.458 -2.739 1.942
176 2HB TYR 25 2HB TYR 25 -5.424 -1.518 2.758
177 HD1 TYR 25 HD1 TYR 25 -5.701 -2.111 5.010
178 HD2 TYR 25 HD2 TYR 25 -5.900 -5.204 1.994
179 HE1 TYR 25 HE1 TYR 25 -6.163 -3.795 6.748
180 HE2 TYR 25 HE2 TYR 25 -6.372 -6.875 3.725
181 HH TYR 25 HH TYR 25 -6.997 -5.961 7.133
182 H LEU 26 H LEU 26 -7.550 -0.089 0.775
183 HA LEU 26 HA LEU 26 -10.030 -0.961 2.177
184 1HB LEU 26 1HB LEU 26 -8.979 1.789 1.440
185 2HB LEU 26 2HB LEU 26 -10.592 1.515 2.088
186 HG LEU 26 HG LEU 26 -8.031 0.750 3.543
187 1HD1 LEU 26 1HD1 LEU 26 -8.264 3.194 3.305
188 2HD1 LEU 26 2HD1 LEU 26 -8.445 2.674 4.984
189 3HD1 LEU 26 3HD1 LEU 26 -9.883 3.112 4.039
190 1HD2 LEU 26 1HD2 LEU 26 -9.936 -0.609 4.313
191 2HD2 LEU 26 2HD2 LEU 26 -10.958 0.832 4.425
192 3HD2 LEU 26 3HD2 LEU 26 -9.591 0.631 5.521
193 H ASN 27 H ASN 27 -8.853 -0.191 -0.849
194 HA ASN 27 HA ASN 27 -11.445 -0.103 -2.071
195 1HB ASN 27 1HB ASN 27 -9.000 0.967 -2.681
196 2HB ASN 27 2HB ASN 27 -8.943 -0.454 -3.725
197 1HD2 ASN 27 2HD2 ASN 27 -8.820 2.076 -4.817
198 2HD2 ASN 27 1HD2 ASN 27 -10.353 2.495 -5.517
199 H VAL 28 H VAL 28 -9.519 -2.661 -1.207
200 HA VAL 28 HA VAL 28 -10.943 -4.474 -3.110
201 HB VAL 28 HB VAL 28 -8.270 -4.820 -1.685
202 1HG1 VAL 28 1HG1 VAL 28 -7.937 -6.784 -3.177
203 2HG1 VAL 28 2HG1 VAL 28 -9.281 -7.020 -2.075
204 3HG1 VAL 28 3HG1 VAL 28 -9.605 -6.606 -3.770
205 1HG2 VAL 28 1HG2 VAL 28 -8.762 -4.392 -4.663
206 2HG2 VAL 28 2HG2 VAL 28 -8.165 -3.138 -3.572
207 3HG2 VAL 28 3HG2 VAL 28 -7.196 -4.573 -3.843
208 H VAL 29 H VAL 29 -10.619 -3.576 0.190
209 HA VAL 29 HA VAL 29 -11.987 -6.118 0.988
210 HB VAL 29 HB VAL 29 -10.459 -4.119 2.650
211 1HG1 VAL 29 1HG1 VAL 29 -12.218 -5.206 4.010
212 2HG1 VAL 29 2HG1 VAL 29 -11.662 -6.799 3.453
213 3HG1 VAL 29 3HG1 VAL 29 -10.613 -5.792 4.467
214 1HG2 VAL 29 1HG2 VAL 29 -9.742 -6.928 1.705
215 2HG2 VAL 29 2HG2 VAL 29 -8.940 -5.420 1.234
216 3HG2 VAL 29 3HG2 VAL 29 -8.822 -5.989 2.895
217 H THR 30 H THR 30 -12.287 -2.627 1.642
218 HA THR 30 HA THR 30 -14.971 -3.171 2.594
219 HB THR 30 HB THR 30 -14.625 -0.352 2.093
220 HG1 THR 30 HG1 THR 30 -12.882 0.026 3.317
221 1HG2 THR 30 1HG2 THR 30 -14.677 -2.068 4.621
222 2HG2 THR 30 2HG2 THR 30 -16.088 -1.341 3.811
223 3HG2 THR 30 3HG2 THR 30 -14.877 -0.313 4.591
224 H ARG 31 H ARG 31 -13.645 -2.409 -0.556
225 HA ARG 31 HA ARG 31 -15.991 -1.327 -1.712
226 1HB ARG 31 1HB ARG 31 -13.762 -1.326 -2.772
227 2HB ARG 31 2HB ARG 31 -13.856 -3.087 -2.972
228 1HG ARG 31 1HG ARG 31 -15.797 -2.768 -4.534
229 2HG ARG 31 2HG ARG 31 -15.610 -1.008 -4.350
230 1HD ARG 31 1HD ARG 31 -13.262 -1.221 -5.189
231 2HD ARG 31 2HD ARG 31 -13.517 -2.961 -5.420
232 HE ARG 31 HE ARG 31 -15.566 -1.571 -6.809
233 1HH1 ARG 31 1HH1 ARG 31 -12.003 -1.995 -7.093
234 2HH1 ARG 31 2HH1 ARG 31 -11.990 -1.279 -8.668
235 1HH2 ARG 31 1HH2 ARG 31 -15.434 -0.758 -8.859
236 2HH2 ARG 31 2HH2 ARG 31 -13.902 -0.588 -9.666
237 H HIS 32 H HIS 32 -15.207 -4.555 -0.927
238 HA HIS 32 HA HIS 32 -17.186 -5.965 -2.436
239 1HB HIS 32 1HB HIS 32 -15.589 -6.610 0.057
240 2HB HIS 32 2HB HIS 32 -16.724 -7.732 -0.629
241 HD1 HIS 32 HD1 HIS 32 -14.306 -9.157 -0.819
242 HD2 HIS 32 HD2 HIS 32 -15.154 -6.076 -3.570
243 HE1 HIS 32 HE1 HIS 32 -12.859 -9.582 -2.869
244 H ARG 33 H ARG 33 -17.566 -3.993 0.361
245 HA ARG 33 HA ARG 33 -20.336 -5.032 0.776
246 1HB ARG 33 1HB ARG 33 -20.047 -4.352 3.162
247 2HB ARG 33 2HB ARG 33 -19.007 -5.677 2.627
248 1HG ARG 33 1HG ARG 33 -17.113 -4.093 2.366
249 2HG ARG 33 2HG ARG 33 -18.107 -2.787 3.031
250 1HD ARG 33 1HD ARG 33 -17.347 -5.365 4.441
251 2HD ARG 33 2HD ARG 33 -16.478 -3.826 4.555
252 HE ARG 33 HE ARG 33 -19.014 -3.118 5.278
253 1HH1 ARG 33 1HH1 ARG 33 -16.494 -5.341 6.417
254 2HH1 ARG 33 2HH1 ARG 33 -17.102 -5.502 8.029
255 1HH2 ARG 33 1HH2 ARG 33 -19.821 -3.243 7.455
256 2HH2 ARG 33 2HH2 ARG 33 -18.971 -4.171 8.649
257 H TYR 34 H TYR 34 -18.267 -2.074 1.009
258 HA TYR 34 HA TYR 34 -20.562 -0.328 1.198
259 1HB TYR 34 1HB TYR 34 -18.392 0.131 2.276
260 2HB TYR 34 2HB TYR 34 -17.609 0.190 0.700
261 HD1 TYR 34 HD1 TYR 34 -17.053 2.341 0.015
262 HD2 TYR 34 HD2 TYR 34 -20.679 1.790 2.302
263 HE1 TYR 34 HE1 TYR 34 -17.541 4.742 -0.159
264 HE2 TYR 34 HE2 TYR 34 -21.165 4.202 2.121
265 HH TYR 34 HH TYR 34 -19.059 6.457 0.254
266 1HN NH2 35 1H NH2 35 -18.987 -1.936 -1.507
267 2HN NH2 35 2H NH2 35 -19.822 -0.987 -2.696
268 2HN ZAB 10 H AZO 10 14.025 7.756 6.566
269 2HA ZAB 10 2HA AZO 10 14.626 5.506 8.370
270 3HA ZAB 10 3HA AZO 10 13.481 5.173 7.052
271 HG2 ZAB 10 HG2 AZO 10 14.382 4.419 5.025
272 HD2 ZAB 10 HD2 AZO 10 16.265 4.244 3.423
273 HE ZAB 10 HE AZO 10 18.425 5.386 3.901
274 HG1 ZAB 10 HG1 AZO 10 16.801 6.889 7.600
275 HJ2 ZAB 10 HJ2 AZO 10 20.394 8.752 3.279
276 HK2 ZAB 10 HK2 AZO 10 19.355 10.246 1.580
277 HL ZAB 10 HL AZO 10 17.043 11.035 1.872
278 HJ1 ZAB 10 HJ1 AZO 10 16.769 8.830 5.583
279 2HM ZAB 10 2HM AZO 10 14.851 9.948 4.777
280 3HM ZAB 10 3HM AZO 10 15.303 11.504 4.085
Start of MODEL 5
1 1H GLY 1 H GLY 1 19.994 27.857 -0.662
2 1HA GLY 1 1HA GLY 1 22.376 28.231 -0.206
3 2HA GLY 1 2HA GLY 1 21.388 28.421 1.260
4 HA PRO 2 HA PRO 2 24.420 25.335 2.587
5 1HB PRO 2 1HB PRO 2 24.008 25.485 5.294
6 2HB PRO 2 2HB PRO 2 24.853 26.771 4.385
7 1HG PRO 2 1HG PRO 2 21.921 26.666 5.167
8 2HG PRO 2 2HG PRO 2 23.084 28.005 5.438
9 1HD PRO 2 1HD PRO 2 21.391 27.979 3.309
10 2HD PRO 2 2HD PRO 2 23.058 28.607 3.153
11 H SER 3 H SER 3 24.134 23.382 4.278
12 HA SER 3 HA SER 3 21.465 22.252 4.305
13 1HB SER 3 1HB SER 3 22.471 20.082 3.282
14 2HB SER 3 2HB SER 3 22.010 21.401 2.203
15 HG SER 3 HG SER 3 24.094 20.450 1.781
16 H GLN 4 H GLN 4 22.078 19.706 5.275
17 HA GLN 4 HA GLN 4 24.046 19.714 7.295
18 1HB GLN 4 1HB GLN 4 22.589 19.798 9.294
19 2HB GLN 4 2HB GLN 4 22.534 21.303 8.425
20 1HG GLN 4 1HG GLN 4 20.345 20.458 7.357
21 2HG GLN 4 2HG GLN 4 20.415 19.113 8.507
22 1HE2 GLN 4 2HE2 GLN 4 19.833 19.538 10.678
23 2HE2 GLN 4 1HE2 GLN 4 19.291 21.098 11.258
24 HA PRO 5 HA PRO 5 22.966 15.465 6.768
25 1HB PRO 5 1HB PRO 5 23.431 14.265 9.206
26 2HB PRO 5 2HB PRO 5 24.727 14.850 8.136
27 1HG PRO 5 1HG PRO 5 23.487 16.289 10.492
28 2HG PRO 5 2HG PRO 5 25.221 16.026 10.141
29 1HD PRO 5 1HD PRO 5 24.036 18.339 9.468
30 2HD PRO 5 2HD PRO 5 25.173 17.580 8.325
31 H THR 6 H THR 6 21.278 14.027 6.910
32 HA THR 6 HA THR 6 18.917 14.822 8.421
33 HB THR 6 HB THR 6 18.360 12.414 7.126
34 HG1 THR 6 HG1 THR 6 20.158 12.221 5.907
35 1HG2 THR 6 1HG2 THR 6 18.255 15.230 5.966
36 2HG2 THR 6 2HG2 THR 6 17.033 14.471 7.017
37 3HG2 THR 6 3HG2 THR 6 17.318 13.820 5.398
38 H TYR 7 H TYR 7 18.037 13.571 10.108
39 HA TYR 7 HA TYR 7 19.998 12.097 11.663
40 1HB TYR 7 1HB TYR 7 17.181 13.090 12.040
41 2HB TYR 7 2HB TYR 7 17.671 11.716 12.987
42 HD1 TYR 7 HD1 TYR 7 19.255 15.057 12.019
43 HD2 TYR 7 HD2 TYR 7 18.489 12.123 15.094
44 HE1 TYR 7 HE1 TYR 7 20.446 16.452 13.656
45 HE2 TYR 7 HE2 TYR 7 19.687 13.494 16.723
46 HH TYR 7 HH TYR 7 20.960 15.358 17.057
47 HA PRO 8 HA PRO 8 18.955 8.047 10.225
48 1HB PRO 8 1HB PRO 8 19.484 6.458 12.392
49 2HB PRO 8 2HB PRO 8 20.761 7.363 11.525
50 1HG PRO 8 1HG PRO 8 19.307 8.197 14.046
51 2HG PRO 8 2HG PRO 8 21.077 8.164 13.753
52 1HD PRO 8 1HD PRO 8 19.628 10.432 13.482
53 2HD PRO 8 2HD PRO 8 20.990 10.063 12.380
54 H GLY 9 H GLY 9 17.439 6.169 10.612
55 1HA GLY 9 1HA GLY 9 15.458 5.187 11.399
56 2HA GLY 9 2HA GLY 9 15.313 6.475 12.608
57 HA PRO 11 HA PRO 11 13.751 8.107 -0.298
58 1HB PRO 11 1HB PRO 11 12.547 6.140 1.108
59 2HB PRO 11 2HB PRO 11 14.320 6.330 1.098
60 1HG PRO 11 1HG PRO 11 12.372 7.302 3.218
61 2HG PRO 11 2HG PRO 11 13.895 6.396 3.445
62 1HD PRO 11 1HD PRO 11 13.722 9.133 3.657
63 2HD PRO 11 2HD PRO 11 15.201 8.310 3.077
64 H VAL 12 H VAL 12 12.417 10.014 -0.860
65 HA VAL 12 HA VAL 12 9.911 10.632 0.407
66 HB VAL 12 HB VAL 12 10.817 11.209 -2.439
67 1HG1 VAL 12 1HG1 VAL 12 8.945 12.794 -0.633
68 2HG1 VAL 12 2HG1 VAL 12 9.409 13.208 -2.294
69 3HG1 VAL 12 3HG1 VAL 12 8.425 11.770 -1.991
70 1HG2 VAL 12 1HG2 VAL 12 12.610 12.063 -1.175
71 2HG2 VAL 12 2HG2 VAL 12 11.566 13.461 -1.379
72 3HG2 VAL 12 3HG2 VAL 12 11.561 12.576 0.161
73 H GLU 13 H GLU 13 10.854 8.399 -2.170
74 HA GLU 13 HA GLU 13 8.305 7.755 -3.207
75 1HB GLU 13 1HB GLU 13 10.580 7.327 -4.209
76 2HB GLU 13 2HB GLU 13 10.820 6.034 -3.016
77 1HG GLU 13 1HG GLU 13 10.125 5.113 -5.168
78 2HG GLU 13 2HG GLU 13 8.913 4.778 -3.959
79 H ASP 14 H ASP 14 9.918 6.687 -0.263
80 HA ASP 14 HA ASP 14 8.643 4.226 0.242
81 1HB ASP 14 1HB ASP 14 10.535 5.229 1.551
82 2HB ASP 14 2HB ASP 14 9.434 6.440 2.205
83 H LEU 15 H LEU 15 7.727 7.519 1.083
84 HA LEU 15 HA LEU 15 5.308 6.924 2.377
85 1HB LEU 15 1HB LEU 15 6.776 9.307 1.487
86 2HB LEU 15 2HB LEU 15 5.070 9.517 1.180
87 HG LEU 15 HG LEU 15 5.602 10.452 3.292
88 1HD1 LEU 15 1HD1 LEU 15 3.408 9.255 3.163
89 2HD1 LEU 15 2HD1 LEU 15 4.069 9.375 4.798
90 3HD1 LEU 15 3HD1 LEU 15 4.170 7.841 3.925
91 1HD2 LEU 15 1HD2 LEU 15 6.713 7.738 4.102
92 2HD2 LEU 15 2HD2 LEU 15 6.539 9.143 5.167
93 3HD2 LEU 15 3HD2 LEU 15 7.655 9.209 3.790
94 H ILE 16 H ILE 16 5.942 6.833 -1.046
95 HA ILE 16 HA ILE 16 3.082 7.345 -1.707
96 HB ILE 16 HB ILE 16 5.507 6.764 -3.462
97 1HG1 ILE 16 1HG1 ILE 16 4.719 8.904 -4.578
98 2HG1 ILE 16 2HG1 ILE 16 3.550 9.118 -3.278
99 1HG2 ILE 16 1HG2 ILE 16 3.605 5.514 -4.407
100 2HG2 ILE 16 2HG2 ILE 16 2.566 6.943 -4.260
101 3HG2 ILE 16 3HG2 ILE 16 3.933 6.934 -5.393
102 1HD1 ILE 16 1HD1 ILE 16 6.574 9.020 -2.935
103 2HD1 ILE 16 2HD1 ILE 16 5.616 10.499 -3.068
104 3HD1 ILE 16 3HD1 ILE 16 5.387 9.438 -1.673
105 H ARG 17 H ARG 17 5.525 4.716 -1.925
106 HA ARG 17 HA ARG 17 3.780 2.622 -2.617
107 1HB ARG 17 1HB ARG 17 6.299 2.603 -0.882
108 2HB ARG 17 2HB ARG 17 5.535 1.139 -1.522
109 1HG ARG 17 1HG ARG 17 5.996 1.754 -3.779
110 2HG ARG 17 2HG ARG 17 6.490 3.401 -3.327
111 1HD ARG 17 1HD ARG 17 8.389 2.544 -2.070
112 2HD ARG 17 2HD ARG 17 7.943 0.872 -2.478
113 HE ARG 17 HE ARG 17 8.087 2.144 -4.896
114 1HH1 ARG 17 1HH1 ARG 17 10.433 1.571 -2.254
115 2HH1 ARG 17 2HH1 ARG 17 11.802 1.766 -3.338
116 1HH2 ARG 17 1HH2 ARG 17 10.004 2.045 -6.277
117 2HH2 ARG 17 2HH2 ARG 17 11.558 2.025 -5.500
118 H PHE 18 H PHE 18 4.802 3.532 0.709
119 HA PHE 18 HA PHE 18 3.223 1.560 2.012
120 1HB PHE 18 1HB PHE 18 4.473 4.180 2.880
121 2HB PHE 18 2HB PHE 18 3.496 3.225 3.970
122 HD1 PHE 18 HD1 PHE 18 4.750 2.143 5.557
123 HD2 PHE 18 HD2 PHE 18 6.286 2.294 1.517
124 HE1 PHE 18 HE1 PHE 18 6.723 0.887 6.245
125 HE2 PHE 18 HE2 PHE 18 8.240 1.003 2.214
126 HZ PHE 18 HZ PHE 18 8.480 0.267 4.589
127 H TYR 19 H TYR 19 2.284 4.641 0.613
128 HA TYR 19 HA TYR 19 -0.177 4.877 2.215
129 1HB TYR 19 1HB TYR 19 1.157 6.806 1.344
130 2HB TYR 19 2HB TYR 19 0.736 6.372 -0.300
131 HD1 TYR 19 HD1 TYR 19 -1.874 6.202 -0.825
132 HD2 TYR 19 HD2 TYR 19 -0.156 8.303 2.541
133 HE1 TYR 19 HE1 TYR 19 -3.968 7.450 -0.534
134 HE2 TYR 19 HE2 TYR 19 -2.233 9.569 2.832
135 HH TYR 19 HH TYR 19 -4.393 9.892 2.057
136 H ASN 20 H ASN 20 0.817 4.306 -1.117
137 HA ASN 20 HA ASN 20 -1.589 3.705 -2.344
138 1HB ASN 20 1HB ASN 20 0.541 4.087 -3.496
139 2HB ASN 20 2HB ASN 20 1.085 2.477 -2.996
140 1HD2 ASN 20 2HD2 ASN 20 0.820 1.009 -4.651
141 2HD2 ASN 20 1HD2 ASN 20 -0.491 1.060 -5.821
142 H ASP 21 H ASP 21 0.504 1.445 -0.507
143 HA ASP 21 HA ASP 21 -1.086 -0.860 -1.162
144 1HB ASP 21 1HB ASP 21 1.268 -0.996 -0.387
145 2HB ASP 21 2HB ASP 21 0.761 -0.435 1.212
146 H LEU 22 H LEU 22 -1.314 1.540 1.446
147 HA LEU 22 HA LEU 22 -3.241 -0.023 2.973
148 1HB LEU 22 1HB LEU 22 -2.420 2.914 3.059
149 2HB LEU 22 2HB LEU 22 -3.654 2.223 4.115
150 HG LEU 22 HG LEU 22 -0.790 1.192 3.936
151 1HD1 LEU 22 1HD1 LEU 22 -2.082 3.037 5.976
152 2HD1 LEU 22 2HD1 LEU 22 -0.745 3.392 4.878
153 3HD1 LEU 22 3HD1 LEU 22 -0.501 2.234 6.185
154 1HD2 LEU 22 1HD2 LEU 22 -2.114 -0.587 4.668
155 2HD2 LEU 22 2HD2 LEU 22 -3.165 0.423 5.668
156 3HD2 LEU 22 3HD2 LEU 22 -1.458 0.076 6.139
157 H GLN 23 H GLN 23 -3.461 2.617 0.557
158 HA GLN 23 HA GLN 23 -6.363 2.575 0.701
159 1HB GLN 23 1HB GLN 23 -6.416 3.805 -1.398
160 2HB GLN 23 2HB GLN 23 -5.301 4.553 -0.252
161 1HG GLN 23 1HG GLN 23 -3.423 3.879 -1.436
162 2HG GLN 23 2HG GLN 23 -4.273 2.585 -2.308
163 1HE2 GLN 23 2HE2 GLN 23 -5.424 2.986 -4.216
164 2HE2 GLN 23 1HE2 GLN 23 -5.198 4.503 -5.055
165 H GLN 24 H GLN 24 -4.082 0.324 -0.666
166 HA GLN 24 HA GLN 24 -5.774 -0.731 -2.768
167 1HB GLN 24 1HB GLN 24 -3.145 -0.985 -2.395
168 2HB GLN 24 2HB GLN 24 -3.630 -2.325 -1.350
169 1HG GLN 24 1HG GLN 24 -3.230 -3.307 -3.414
170 2HG GLN 24 2HG GLN 24 -4.989 -3.187 -3.364
171 1HE2 GLN 24 2HE2 GLN 24 -2.232 -2.548 -5.259
172 2HE2 GLN 24 1HE2 GLN 24 -2.971 -1.359 -6.352
173 H TYR 25 H TYR 25 -4.900 -1.784 0.483
174 HA TYR 25 HA TYR 25 -6.701 -3.922 0.792
175 1HB TYR 25 1HB TYR 25 -4.851 -3.235 2.321
176 2HB TYR 25 2HB TYR 25 -5.797 -1.861 2.856
177 HD1 TYR 25 HD1 TYR 25 -7.301 -2.081 4.694
178 HD2 TYR 25 HD2 TYR 25 -5.700 -5.596 2.775
179 HE1 TYR 25 HE1 TYR 25 -7.979 -3.436 6.631
180 HE2 TYR 25 HE2 TYR 25 -6.349 -6.964 4.719
181 HH TYR 25 HH TYR 25 -7.587 -5.475 7.720
182 H LEU 26 H LEU 26 -7.264 -0.462 1.613
183 HA LEU 26 HA LEU 26 -9.990 -0.880 2.213
184 1HB LEU 26 1HB LEU 26 -8.533 1.653 1.357
185 2HB LEU 26 2HB LEU 26 -10.165 1.644 2.029
186 HG LEU 26 HG LEU 26 -7.725 0.535 3.504
187 1HD1 LEU 26 1HD1 LEU 26 -9.104 3.228 3.792
188 2HD1 LEU 26 2HD1 LEU 26 -7.466 2.933 3.179
189 3HD1 LEU 26 3HD1 LEU 26 -7.836 2.588 4.866
190 1HD2 LEU 26 1HD2 LEU 26 -9.774 -0.478 4.333
191 2HD2 LEU 26 2HD2 LEU 26 -10.592 1.095 4.395
192 3HD2 LEU 26 3HD2 LEU 26 -9.238 0.734 5.483
193 H ASN 27 H ASN 27 -8.639 -0.879 -0.828
194 HA ASN 27 HA ASN 27 -11.224 -0.318 -2.113
195 1HB ASN 27 1HB ASN 27 -8.377 -0.014 -2.911
196 2HB ASN 27 2HB ASN 27 -9.304 -0.777 -4.113
197 1HD2 ASN 27 2HD2 ASN 27 -8.100 2.045 -3.736
198 2HD2 ASN 27 1HD2 ASN 27 -9.368 3.169 -4.111
199 H VAL 28 H VAL 28 -9.556 -2.981 -1.040
200 HA VAL 28 HA VAL 28 -11.133 -4.678 -2.905
201 HB VAL 28 HB VAL 28 -8.493 -5.345 -1.523
202 1HG1 VAL 28 1HG1 VAL 28 -8.449 -7.306 -3.040
203 2HG1 VAL 28 2HG1 VAL 28 -9.836 -7.364 -1.972
204 3HG1 VAL 28 3HG1 VAL 28 -10.046 -6.863 -3.680
205 1HG2 VAL 28 1HG2 VAL 28 -8.065 -3.678 -3.297
206 2HG2 VAL 28 2HG2 VAL 28 -7.467 -5.252 -3.785
207 3HG2 VAL 28 3HG2 VAL 28 -9.000 -4.634 -4.449
208 H VAL 29 H VAL 29 -10.596 -3.734 0.308
209 HA VAL 29 HA VAL 29 -12.038 -6.086 1.370
210 HB VAL 29 HB VAL 29 -10.680 -3.740 2.710
211 1HG1 VAL 29 1HG1 VAL 29 -12.591 -4.393 4.134
212 2HG1 VAL 29 2HG1 VAL 29 -12.131 -6.105 3.988
213 3HG1 VAL 29 3HG1 VAL 29 -11.078 -4.957 4.842
214 1HG2 VAL 29 1HG2 VAL 29 -10.083 -6.727 2.606
215 2HG2 VAL 29 2HG2 VAL 29 -9.181 -5.473 1.739
216 3HG2 VAL 29 3HG2 VAL 29 -9.152 -5.503 3.504
217 H THR 30 H THR 30 -12.415 -2.574 1.765
218 HA THR 30 HA THR 30 -15.218 -2.902 2.259
219 HB THR 30 HB THR 30 -14.901 -0.235 2.162
220 HG1 THR 30 HG1 THR 30 -12.649 -0.236 1.660
221 1HG2 THR 30 1HG2 THR 30 -13.896 -2.008 4.439
222 2HG2 THR 30 2HG2 THR 30 -15.607 -1.667 4.107
223 3HG2 THR 30 3HG2 THR 30 -14.528 -0.351 4.566
224 H ARG 31 H ARG 31 -13.475 -1.941 -0.678
225 HA ARG 31 HA ARG 31 -15.800 -0.749 -1.850
226 1HB ARG 31 1HB ARG 31 -13.368 -0.731 -2.737
227 2HB ARG 31 2HB ARG 31 -13.740 -2.353 -3.366
228 1HG ARG 31 1HG ARG 31 -15.648 -1.257 -4.692
229 2HG ARG 31 2HG ARG 31 -14.944 0.304 -4.202
230 1HD ARG 31 1HD ARG 31 -12.714 -0.591 -5.119
231 2HD ARG 31 2HD ARG 31 -13.643 -1.945 -5.801
232 HE ARG 31 HE ARG 31 -14.943 0.325 -6.708
233 1HH1 ARG 31 1HH1 ARG 31 -11.880 -1.378 -7.223
234 2HH1 ARG 31 2HH1 ARG 31 -11.367 -0.386 -8.548
235 1HH2 ARG 31 1HH2 ARG 31 -14.142 1.822 -8.319
236 2HH2 ARG 31 2HH2 ARG 31 -12.820 1.387 -9.318
237 H HIS 32 H HIS 32 -14.870 -4.007 -1.432
238 HA HIS 32 HA HIS 32 -17.069 -5.080 -3.083
239 1HB HIS 32 1HB HIS 32 -14.502 -5.874 -2.810
240 2HB HIS 32 2HB HIS 32 -15.218 -6.861 -1.534
241 HD1 HIS 32 HD1 HIS 32 -17.843 -7.876 -2.853
242 HD2 HIS 32 HD2 HIS 32 -14.166 -7.368 -4.857
243 HE1 HIS 32 HE1 HIS 32 -17.973 -9.273 -5.001
244 H ARG 33 H ARG 33 -16.868 -4.144 0.192
245 HA ARG 33 HA ARG 33 -19.147 -5.950 0.807
246 1HB ARG 33 1HB ARG 33 -17.072 -6.982 1.668
247 2HB ARG 33 2HB ARG 33 -16.833 -5.586 2.728
248 1HG ARG 33 1HG ARG 33 -18.843 -6.102 3.973
249 2HG ARG 33 2HG ARG 33 -19.380 -7.268 2.751
250 1HD ARG 33 1HD ARG 33 -17.628 -8.810 3.366
251 2HD ARG 33 2HD ARG 33 -16.855 -7.620 4.389
252 HE ARG 33 HE ARG 33 -19.341 -9.128 4.913
253 1HH1 ARG 33 1HH1 ARG 33 -17.042 -6.652 6.101
254 2HH1 ARG 33 2HH1 ARG 33 -17.686 -6.635 7.698
255 1HH2 ARG 33 1HH2 ARG 33 -20.181 -9.090 7.060
256 2HH2 ARG 33 2HH2 ARG 33 -19.480 -8.039 8.254
257 H TYR 34 H TYR 34 -17.991 -2.727 0.827
258 HA TYR 34 HA TYR 34 -20.149 -1.929 2.695
259 1HB TYR 34 1HB TYR 34 -17.771 -1.485 3.456
260 2HB TYR 34 2HB TYR 34 -17.620 -0.362 2.110
261 HD1 TYR 34 HD1 TYR 34 -19.319 1.592 1.972
262 HD2 TYR 34 HD2 TYR 34 -18.850 -0.871 5.481
263 HE1 TYR 34 HE1 TYR 34 -20.457 3.313 3.344
264 HE2 TYR 34 HE2 TYR 34 -19.924 0.867 6.862
265 HH TYR 34 HH TYR 34 -20.858 3.032 6.897
266 1HN NH2 35 1H NH2 35 -18.128 -0.871 -0.109
267 2HN NH2 35 2H NH2 35 -19.459 -0.252 -1.032
268 2HN ZAB 10 H AZO 10 15.679 6.461 9.114
269 2HA ZAB 10 2HA AZO 10 13.354 7.122 7.998
270 3HA ZAB 10 3HA AZO 10 13.945 8.715 8.528
271 HG2 ZAB 10 HG2 AZO 10 14.431 5.953 6.187
272 HD2 ZAB 10 HD2 AZO 10 16.181 5.888 4.427
273 HE ZAB 10 HE AZO 10 17.971 7.607 4.382
274 HG1 ZAB 10 HG1 AZO 10 16.319 9.412 7.933
275 HJ2 ZAB 10 HJ2 AZO 10 20.187 11.094 3.348
276 HK2 ZAB 10 HK2 AZO 10 19.398 11.993 1.187
277 HL ZAB 10 HL AZO 10 16.978 12.071 0.660
278 HJ1 ZAB 10 HJ1 AZO 10 16.093 10.369 4.509
279 2HM ZAB 10 2HM AZO 10 14.324 11.168 3.150
280 3HM ZAB 10 3HM AZO 10 14.696 12.297 1.868
Start of MODEL 6
1 1H GLY 1 H GLY 1 -15.816 19.481 -4.788
2 1HA GLY 1 1HA GLY 1 -13.621 18.483 -4.363
3 2HA GLY 1 2HA GLY 1 -13.512 19.686 -5.657
4 HA PRO 2 HA PRO 2 -11.567 21.529 -1.675
5 1HB PRO 2 1HB PRO 2 -10.255 19.829 -0.030
6 2HB PRO 2 2HB PRO 2 -12.033 20.000 0.076
7 1HG PRO 2 1HG PRO 2 -10.443 17.856 -1.373
8 2HG PRO 2 2HG PRO 2 -11.827 17.639 -0.262
9 1HD PRO 2 1HD PRO 2 -12.055 17.712 -3.023
10 2HD PRO 2 2HD PRO 2 -13.363 18.227 -1.926
11 H SER 3 H SER 3 -9.243 22.093 -1.476
12 HA SER 3 HA SER 3 -7.743 21.547 -3.841
13 1HB SER 3 1HB SER 3 -6.852 22.712 -1.159
14 2HB SER 3 2HB SER 3 -5.982 22.842 -2.703
15 HG SER 3 HG SER 3 -7.080 24.496 -3.074
16 H GLN 4 H GLN 4 -5.273 20.890 -3.526
17 HA GLN 4 HA GLN 4 -4.954 18.630 -1.665
18 1HB GLN 4 1HB GLN 4 -4.136 17.205 -3.527
19 2HB GLN 4 2HB GLN 4 -5.854 17.516 -3.560
20 1HG GLN 4 1HG GLN 4 -3.811 18.882 -5.328
21 2HG GLN 4 2HG GLN 4 -4.778 17.481 -5.778
22 1HE2 GLN 4 2HE2 GLN 4 -7.359 17.853 -5.480
23 2HE2 GLN 4 1HE2 GLN 4 -7.874 19.471 -5.933
24 HA PRO 5 HA PRO 5 -1.263 21.446 -2.329
25 1HB PRO 5 1HB PRO 5 -0.995 22.552 0.166
26 2HB PRO 5 2HB PRO 5 -2.034 23.263 -1.111
27 1HG PRO 5 1HG PRO 5 -2.875 21.395 1.126
28 2HG PRO 5 2HG PRO 5 -3.627 22.957 0.651
29 1HD PRO 5 1HD PRO 5 -4.667 20.644 -0.246
30 2HD PRO 5 2HD PRO 5 -4.490 22.048 -1.338
31 H THR 6 H THR 6 0.343 19.994 -2.426
32 HA THR 6 HA THR 6 0.638 17.932 -0.337
33 HB THR 6 HB THR 6 2.350 17.118 -2.040
34 HG1 THR 6 HG1 THR 6 1.051 18.489 -4.057
35 1HG2 THR 6 1HG2 THR 6 0.188 16.031 -1.892
36 2HG2 THR 6 2HG2 THR 6 0.632 16.202 -3.600
37 3HG2 THR 6 3HG2 THR 6 -0.569 17.291 -2.890
38 H TYR 7 H TYR 7 2.878 17.526 0.437
39 HA TYR 7 HA TYR 7 4.713 19.830 0.372
40 1HB TYR 7 1HB TYR 7 3.241 20.208 2.328
41 2HB TYR 7 2HB TYR 7 3.725 18.663 2.998
42 HD1 TYR 7 HD1 TYR 7 5.116 21.935 1.739
43 HD2 TYR 7 HD2 TYR 7 5.664 18.629 4.457
44 HE1 TYR 7 HE1 TYR 7 7.036 23.069 2.760
45 HE2 TYR 7 HE2 TYR 7 7.594 19.768 5.481
46 HH TYR 7 HH TYR 7 8.860 22.867 4.122
47 HA PRO 8 HA PRO 8 6.445 15.527 -0.103
48 1HB PRO 8 1HB PRO 8 7.701 15.823 -2.503
49 2HB PRO 8 2HB PRO 8 5.956 15.459 -2.371
50 1HG PRO 8 1HG PRO 8 7.256 18.156 -2.858
51 2HG PRO 8 2HG PRO 8 5.840 17.429 -3.657
52 1HD PRO 8 1HD PRO 8 5.676 19.246 -1.589
53 2HD PRO 8 2HD PRO 8 4.438 17.999 -1.921
54 H GLY 9 H GLY 9 8.213 15.295 1.128
55 1HA GLY 9 1HA GLY 9 10.300 17.433 1.178
56 2HA GLY 9 2HA GLY 9 9.909 16.322 2.497
57 HA PRO 11 HA PRO 11 13.400 8.929 -2.891
58 1HB PRO 11 1HB PRO 11 12.138 6.606 -3.755
59 2HB PRO 11 2HB PRO 11 13.863 6.984 -4.043
60 1HG PRO 11 1HG PRO 11 12.693 5.350 -1.805
61 2HG PRO 11 2HG PRO 11 14.060 4.913 -2.889
62 1HD PRO 11 1HD PRO 11 14.451 5.900 -0.408
63 2HD PRO 11 2HD PRO 11 15.473 6.484 -1.757
64 H VAL 12 H VAL 12 11.483 9.833 -3.236
65 HA VAL 12 HA VAL 12 9.453 9.805 -1.201
66 HB VAL 12 HB VAL 12 9.079 10.941 -3.991
67 1HG1 VAL 12 1HG1 VAL 12 8.250 11.957 -1.246
68 2HG1 VAL 12 2HG1 VAL 12 7.832 12.691 -2.808
69 3HG1 VAL 12 3HG1 VAL 12 7.198 11.092 -2.383
70 1HG2 VAL 12 1HG2 VAL 12 10.150 13.066 -3.246
71 2HG2 VAL 12 2HG2 VAL 12 10.816 12.226 -1.845
72 3HG2 VAL 12 3HG2 VAL 12 11.299 11.757 -3.486
73 H GLU 13 H GLU 13 9.645 8.370 -4.483
74 HA GLU 13 HA GLU 13 6.983 7.512 -4.657
75 1HB GLU 13 1HB GLU 13 8.653 7.543 -6.484
76 2HB GLU 13 2HB GLU 13 9.475 6.174 -5.719
77 1HG GLU 13 1HG GLU 13 7.359 4.817 -6.004
78 2HG GLU 13 2HG GLU 13 6.629 6.208 -6.834
79 H ASP 14 H ASP 14 9.787 5.791 -3.176
80 HA ASP 14 HA ASP 14 8.433 3.373 -2.690
81 1HB ASP 14 1HB ASP 14 10.673 4.649 -1.075
82 2HB ASP 14 2HB ASP 14 10.132 2.983 -0.911
83 H LEU 15 H LEU 15 8.354 6.439 -0.980
84 HA LEU 15 HA LEU 15 7.024 5.417 1.403
85 1HB LEU 15 1HB LEU 15 8.460 7.372 1.569
86 2HB LEU 15 2HB LEU 15 7.536 8.219 0.324
87 HG LEU 15 HG LEU 15 5.536 8.188 1.796
88 1HD1 LEU 15 1HD1 LEU 15 6.175 6.236 3.240
89 2HD1 LEU 15 2HD1 LEU 15 5.863 7.671 4.199
90 3HD1 LEU 15 3HD1 LEU 15 7.533 7.180 3.877
91 1HD2 LEU 15 1HD2 LEU 15 6.257 9.986 3.240
92 2HD2 LEU 15 2HD2 LEU 15 7.032 10.149 1.660
93 3HD2 LEU 15 3HD2 LEU 15 7.961 9.524 3.036
94 H ILE 16 H ILE 16 6.132 6.953 -1.692
95 HA ILE 16 HA ILE 16 3.340 7.312 -1.106
96 HB ILE 16 HB ILE 16 4.841 7.054 -3.747
97 1HG1 ILE 16 1HG1 ILE 16 3.568 9.498 -2.439
98 2HG1 ILE 16 2HG1 ILE 16 5.257 9.081 -2.228
99 1HG2 ILE 16 1HG2 ILE 16 2.782 7.937 -4.832
100 2HG2 ILE 16 2HG2 ILE 16 2.525 6.350 -4.125
101 3HG2 ILE 16 3HG2 ILE 16 1.922 7.788 -3.282
102 1HD1 ILE 16 1HD1 ILE 16 5.527 9.173 -4.759
103 2HD1 ILE 16 2HD1 ILE 16 3.904 9.894 -4.821
104 3HD1 ILE 16 3HD1 ILE 16 5.212 10.708 -3.949
105 H ARG 17 H ARG 17 5.269 4.608 -2.466
106 HA ARG 17 HA ARG 17 3.095 2.869 -3.076
107 1HB ARG 17 1HB ARG 17 5.920 2.243 -2.130
108 2HB ARG 17 2HB ARG 17 4.801 1.008 -2.656
109 1HG ARG 17 1HG ARG 17 5.700 3.287 -4.487
110 2HG ARG 17 2HG ARG 17 6.583 1.782 -4.283
111 1HD ARG 17 1HD ARG 17 5.373 1.255 -6.131
112 2HD ARG 17 2HD ARG 17 4.327 0.601 -4.870
113 HE ARG 17 HE ARG 17 3.737 3.363 -5.646
114 1HH1 ARG 17 1HH1 ARG 17 3.169 -0.049 -6.539
115 2HH1 ARG 17 2HH1 ARG 17 1.985 0.309 -7.725
116 1HH2 ARG 17 1HH2 ARG 17 1.959 3.815 -7.046
117 2HH2 ARG 17 2HH2 ARG 17 1.105 2.525 -7.845
118 H PHE 18 H PHE 18 4.964 3.164 -0.010
119 HA PHE 18 HA PHE 18 3.541 1.273 1.482
120 1HB PHE 18 1HB PHE 18 5.645 2.480 2.117
121 2HB PHE 18 2HB PHE 18 4.703 3.914 2.458
122 HD1 PHE 18 HD1 PHE 18 2.939 3.813 4.374
123 HD2 PHE 18 HD2 PHE 18 5.970 0.798 3.778
124 HE1 PHE 18 HE1 PHE 18 2.770 3.165 6.753
125 HE2 PHE 18 HE2 PHE 18 5.803 0.162 6.153
126 HZ PHE 18 HZ PHE 18 4.221 1.370 7.669
127 H TYR 19 H TYR 19 2.620 4.602 0.622
128 HA TYR 19 HA TYR 19 0.343 4.689 2.472
129 1HB TYR 19 1HB TYR 19 1.645 6.688 1.355
130 2HB TYR 19 2HB TYR 19 0.656 6.383 -0.033
131 HD1 TYR 19 HD1 TYR 19 -1.177 7.831 -0.262
132 HD2 TYR 19 HD2 TYR 19 0.084 6.691 3.715
133 HE1 TYR 19 HE1 TYR 19 -2.919 9.283 0.710
134 HE2 TYR 19 HE2 TYR 19 -1.690 8.107 4.677
135 HH TYR 19 HH TYR 19 -3.222 9.928 4.165
136 H ASN 20 H ASN 20 0.898 4.119 -0.943
137 HA ASN 20 HA ASN 20 -1.787 3.739 -1.791
138 1HB ASN 20 1HB ASN 20 0.400 4.034 -3.206
139 2HB ASN 20 2HB ASN 20 0.530 2.281 -3.071
140 1HD2 ASN 20 2HD2 ASN 20 -0.026 1.624 -5.191
141 2HD2 ASN 20 1HD2 ASN 20 -1.521 2.094 -5.961
142 H ASP 21 H ASP 21 0.333 1.582 -0.048
143 HA ASP 21 HA ASP 21 -0.917 -0.935 -0.558
144 1HB ASP 21 1HB ASP 21 1.334 -0.384 0.579
145 2HB ASP 21 2HB ASP 21 0.423 -0.053 2.036
146 H LEU 22 H LEU 22 -1.257 1.474 2.035
147 HA LEU 22 HA LEU 22 -3.278 0.274 3.539
148 1HB LEU 22 1HB LEU 22 -2.845 3.248 3.161
149 2HB LEU 22 2HB LEU 22 -3.697 2.484 4.494
150 HG LEU 22 HG LEU 22 -0.775 2.037 3.834
151 1HD1 LEU 22 1HD1 LEU 22 -2.022 3.822 5.984
152 2HD1 LEU 22 2HD1 LEU 22 -1.196 4.376 4.519
153 3HD1 LEU 22 3HD1 LEU 22 -0.280 3.521 5.756
154 1HD2 LEU 22 1HD2 LEU 22 -0.626 1.114 6.137
155 2HD2 LEU 22 2HD2 LEU 22 -1.592 0.158 5.033
156 3HD2 LEU 22 3HD2 LEU 22 -2.415 1.170 6.233
157 H GLN 23 H GLN 23 -3.371 2.473 0.801
158 HA GLN 23 HA GLN 23 -6.235 2.824 0.680
159 1HB GLN 23 1HB GLN 23 -4.099 3.305 -1.427
160 2HB GLN 23 2HB GLN 23 -5.777 3.864 -1.524
161 1HG GLN 23 1HG GLN 23 -5.462 5.174 0.545
162 2HG GLN 23 2HG GLN 23 -3.771 4.659 0.631
163 1HE2 GLN 23 2HE2 GLN 23 -5.062 7.352 0.323
164 2HE2 GLN 23 1HE2 GLN 23 -4.364 8.096 -1.101
165 H GLN 24 H GLN 24 -3.947 0.489 -0.748
166 HA GLN 24 HA GLN 24 -5.674 -0.598 -2.697
167 1HB GLN 24 1HB GLN 24 -3.175 -1.066 -2.513
168 2HB GLN 24 2HB GLN 24 -3.533 -2.054 -1.134
169 1HG GLN 24 1HG GLN 24 -3.172 -3.402 -3.103
170 2HG GLN 24 2HG GLN 24 -4.792 -3.645 -2.465
171 1HE2 GLN 24 2HE2 GLN 24 -6.601 -2.636 -3.622
172 2HE2 GLN 24 1HE2 GLN 24 -6.483 -2.327 -5.346
173 H TYR 25 H TYR 25 -5.128 -1.345 0.693
174 HA TYR 25 HA TYR 25 -6.771 -3.637 0.986
175 1HB TYR 25 1HB TYR 25 -5.081 -2.747 2.613
176 2HB TYR 25 2HB TYR 25 -6.173 -1.443 3.020
177 HD1 TYR 25 HD1 TYR 25 -8.458 -1.997 4.097
178 HD2 TYR 25 HD2 TYR 25 -5.252 -4.880 3.654
179 HE1 TYR 25 HE1 TYR 25 -9.456 -3.396 5.880
180 HE2 TYR 25 HE2 TYR 25 -6.233 -6.249 5.461
181 HH TYR 25 HH TYR 25 -7.864 -6.187 7.316
182 H LEU 26 H LEU 26 -7.535 -0.160 1.624
183 HA LEU 26 HA LEU 26 -10.300 -0.553 2.031
184 1HB LEU 26 1HB LEU 26 -8.850 1.906 0.984
185 2HB LEU 26 2HB LEU 26 -10.517 1.909 1.554
186 HG LEU 26 HG LEU 26 -8.148 1.165 3.288
187 1HD1 LEU 26 1HD1 LEU 26 -8.412 3.365 4.313
188 2HD1 LEU 26 2HD1 LEU 26 -9.698 3.780 3.140
189 3HD1 LEU 26 3HD1 LEU 26 -8.012 3.510 2.590
190 1HD2 LEU 26 1HD2 LEU 26 -9.756 1.539 5.165
191 2HD2 LEU 26 2HD2 LEU 26 -10.224 0.189 4.132
192 3HD2 LEU 26 3HD2 LEU 26 -11.058 1.743 3.980
193 H ASN 27 H ASN 27 -8.667 -0.919 -0.832
194 HA ASN 27 HA ASN 27 -11.043 -0.349 -2.480
195 1HB ASN 27 1HB ASN 27 -8.160 0.007 -2.855
196 2HB ASN 27 2HB ASN 27 -8.663 -1.199 -3.993
197 1HD2 ASN 27 2HD2 ASN 27 -7.891 1.858 -4.039
198 2HD2 ASN 27 1HD2 ASN 27 -8.949 2.310 -5.364
199 H VAL 28 H VAL 28 -9.427 -2.984 -1.175
200 HA VAL 28 HA VAL 28 -10.875 -4.799 -3.035
201 HB VAL 28 HB VAL 28 -8.205 -5.057 -1.599
202 1HG1 VAL 28 1HG1 VAL 28 -9.655 -7.186 -3.215
203 2HG1 VAL 28 2HG1 VAL 28 -7.939 -7.268 -2.765
204 3HG1 VAL 28 3HG1 VAL 28 -9.177 -7.284 -1.505
205 1HG2 VAL 28 1HG2 VAL 28 -7.263 -5.246 -3.871
206 2HG2 VAL 28 2HG2 VAL 28 -8.892 -5.171 -4.578
207 3HG2 VAL 28 3HG2 VAL 28 -8.219 -3.762 -3.756
208 H VAL 29 H VAL 29 -10.620 -3.665 0.129
209 HA VAL 29 HA VAL 29 -12.045 -6.138 1.131
210 HB VAL 29 HB VAL 29 -10.730 -3.939 2.743
211 1HG1 VAL 29 1HG1 VAL 29 -10.972 -5.538 4.610
212 2HG1 VAL 29 2HG1 VAL 29 -12.558 -5.083 3.977
213 3HG1 VAL 29 3HG1 VAL 29 -11.854 -6.668 3.563
214 1HG2 VAL 29 1HG2 VAL 29 -9.813 -6.776 2.058
215 2HG2 VAL 29 2HG2 VAL 29 -9.038 -5.281 1.510
216 3HG2 VAL 29 3HG2 VAL 29 -9.018 -5.699 3.213
217 H THR 30 H THR 30 -12.362 -2.618 1.524
218 HA THR 30 HA THR 30 -15.133 -2.964 2.274
219 HB THR 30 HB THR 30 -14.698 -0.228 1.924
220 HG1 THR 30 HG1 THR 30 -12.427 -1.236 3.293
221 1HG2 THR 30 1HG2 THR 30 -14.502 -0.200 4.382
222 2HG2 THR 30 2HG2 THR 30 -14.224 -1.959 4.395
223 3HG2 THR 30 3HG2 THR 30 -15.779 -1.318 3.861
224 H ARG 31 H ARG 31 -13.610 -2.363 -0.853
225 HA ARG 31 HA ARG 31 -15.894 -1.056 -1.931
226 1HB ARG 31 1HB ARG 31 -13.551 -1.059 -2.913
227 2HB ARG 31 2HB ARG 31 -13.851 -2.691 -3.491
228 1HG ARG 31 1HG ARG 31 -14.179 -1.051 -5.255
229 2HG ARG 31 2HG ARG 31 -15.700 -1.882 -4.920
230 1HD ARG 31 1HD ARG 31 -16.659 -0.022 -3.854
231 2HD ARG 31 2HD ARG 31 -15.093 0.684 -3.445
232 HE ARG 31 HE ARG 31 -16.660 1.172 -5.775
233 1HH1 ARG 31 1HH1 ARG 31 -13.286 1.166 -4.565
234 2HH1 ARG 31 2HH1 ARG 31 -12.681 2.110 -5.879
235 1HH2 ARG 31 1HH2 ARG 31 -15.833 2.252 -7.528
236 2HH2 ARG 31 2HH2 ARG 31 -14.145 2.649 -7.686
237 H HIS 32 H HIS 32 -15.196 -4.369 -1.539
238 HA HIS 32 HA HIS 32 -17.337 -5.429 -3.114
239 1HB HIS 32 1HB HIS 32 -15.221 -6.456 -1.378
240 2HB HIS 32 2HB HIS 32 -16.722 -7.227 -0.973
241 HD1 HIS 32 HD1 HIS 32 -17.237 -9.355 -2.434
242 HD2 HIS 32 HD2 HIS 32 -14.932 -6.377 -4.361
243 HE1 HIS 32 HE1 HIS 32 -16.651 -10.263 -4.694
244 H ARG 33 H ARG 33 -17.753 -3.426 -0.575
245 HA ARG 33 HA ARG 33 -20.285 -4.711 0.265
246 1HB ARG 33 1HB ARG 33 -18.091 -4.724 1.924
247 2HB ARG 33 2HB ARG 33 -18.745 -3.162 2.335
248 1HG ARG 33 1HG ARG 33 -19.617 -4.694 3.874
249 2HG ARG 33 2HG ARG 33 -20.967 -4.289 2.801
250 1HD ARG 33 1HD ARG 33 -21.021 -6.641 3.312
251 2HD ARG 33 2HD ARG 33 -20.583 -6.456 1.613
252 HE ARG 33 HE ARG 33 -18.174 -6.718 2.406
253 1HH1 ARG 33 1HH1 ARG 33 -20.804 -8.451 4.227
254 2HH1 ARG 33 2HH1 ARG 33 -19.714 -9.644 4.759
255 1HH2 ARG 33 1HH2 ARG 33 -16.850 -8.285 3.231
256 2HH2 ARG 33 2HH2 ARG 33 -17.498 -9.586 4.218
257 H TYR 34 H TYR 34 -18.486 -1.650 0.888
258 HA TYR 34 HA TYR 34 -20.878 -0.078 0.472
259 1HB TYR 34 1HB TYR 34 -17.949 0.600 0.884
260 2HB TYR 34 2HB TYR 34 -19.229 1.791 0.807
261 HD1 TYR 34 HD1 TYR 34 -20.936 1.966 2.641
262 HD2 TYR 34 HD2 TYR 34 -17.608 -0.759 2.842
263 HE1 TYR 34 HE1 TYR 34 -21.229 1.791 5.105
264 HE2 TYR 34 HE2 TYR 34 -17.898 -0.946 5.299
265 HH TYR 34 HH TYR 34 -19.350 -0.421 7.126
266 1HN NH2 35 1H NH2 35 -21.059 1.644 -1.112
267 2HN NH2 35 2H NH2 35 -20.169 1.622 -2.622
268 2HN ZAB 10 H AZO 10 10.434 14.065 2.275
269 2HA ZAB 10 2HA AZO 10 12.074 13.129 0.080
270 3HA ZAB 10 3HA AZO 10 13.013 13.511 1.545
271 HG2 ZAB 10 HG2 AZO 10 10.445 11.328 0.070
272 HD2 ZAB 10 HD2 AZO 10 9.842 9.121 1.018
273 HE ZAB 10 HE AZO 10 10.666 8.478 3.260
274 HG1 ZAB 10 HG1 AZO 10 12.716 12.247 3.607
275 HJ2 ZAB 10 HJ2 AZO 10 13.530 6.476 5.473
276 HK2 ZAB 10 HK2 AZO 10 14.722 4.924 3.939
277 HL ZAB 10 HL AZO 10 15.554 5.724 1.744
278 HJ1 ZAB 10 HJ1 AZO 10 13.978 9.639 2.563
279 2HM ZAB 10 2HM AZO 10 15.915 9.208 0.921
280 3HM ZAB 10 3HM AZO 10 16.055 7.587 0.268
Start of MODEL 7
1 1H GLY 1 H GLY 1 11.206 -15.347 1.621
2 1HA GLY 1 1HA GLY 1 10.005 -15.246 -0.467
3 2HA GLY 1 2HA GLY 1 8.495 -15.442 0.441
4 HA PRO 2 HA PRO 2 8.882 -10.922 -0.087
5 1HB PRO 2 1HB PRO 2 6.264 -10.329 -0.287
6 2HB PRO 2 2HB PRO 2 7.127 -11.200 -1.579
7 1HG PRO 2 1HG PRO 2 5.438 -12.415 0.648
8 2HG PRO 2 2HG PRO 2 5.286 -12.686 -1.108
9 1HD PRO 2 1HD PRO 2 6.734 -14.348 0.485
10 2HD PRO 2 2HD PRO 2 7.226 -13.968 -1.192
11 H SER 3 H SER 3 9.838 -10.745 1.987
12 HA SER 3 HA SER 3 8.319 -10.798 4.451
13 1HB SER 3 1HB SER 3 10.515 -10.236 5.419
14 2HB SER 3 2HB SER 3 10.682 -11.523 4.221
15 HG SER 3 HG SER 3 12.258 -10.138 3.708
16 H GLN 4 H GLN 4 9.187 -8.643 5.889
17 HA GLN 4 HA GLN 4 8.472 -6.177 4.425
18 1HB GLN 4 1HB GLN 4 6.934 -5.535 6.220
19 2HB GLN 4 2HB GLN 4 6.398 -7.027 5.474
20 1HG GLN 4 1HG GLN 4 7.134 -8.328 7.373
21 2HG GLN 4 2HG GLN 4 8.005 -6.955 8.074
22 1HE2 GLN 4 2HE2 GLN 4 6.922 -6.290 9.924
23 2HE2 GLN 4 1HE2 GLN 4 5.185 -6.100 9.998
24 HA PRO 5 HA PRO 5 11.863 -4.658 6.861
25 1HB PRO 5 1HB PRO 5 11.326 -2.002 7.212
26 2HB PRO 5 2HB PRO 5 11.710 -2.689 5.609
27 1HG PRO 5 1HG PRO 5 8.969 -2.120 6.771
28 2HG PRO 5 2HG PRO 5 9.595 -1.678 5.155
29 1HD PRO 5 1HD PRO 5 8.058 -3.878 5.551
30 2HD PRO 5 2HD PRO 5 9.404 -3.888 4.379
31 H THR 6 H THR 6 12.414 -3.819 9.062
32 HA THR 6 HA THR 6 10.156 -4.083 10.985
33 HB THR 6 HB THR 6 13.043 -4.813 11.518
34 HG1 THR 6 HG1 THR 6 12.732 -6.229 10.023
35 1HG2 THR 6 1HG2 THR 6 10.370 -5.637 12.736
36 2HG2 THR 6 2HG2 THR 6 11.712 -4.803 13.542
37 3HG2 THR 6 3HG2 THR 6 11.902 -6.487 13.055
38 H TYR 7 H TYR 7 11.847 -1.657 9.730
39 HA TYR 7 HA TYR 7 12.013 -0.156 12.330
40 1HB TYR 7 1HB TYR 7 13.798 -0.018 9.884
41 2HB TYR 7 2HB TYR 7 13.748 1.227 11.119
42 HD1 TYR 7 HD1 TYR 7 14.994 -2.132 10.346
43 HD2 TYR 7 HD2 TYR 7 14.444 0.863 13.411
44 HE1 TYR 7 HE1 TYR 7 16.804 -3.156 11.696
45 HE2 TYR 7 HE2 TYR 7 16.163 -0.224 14.803
46 HH TYR 7 HH TYR 7 17.537 -2.041 15.018
47 HA PRO 8 HA PRO 8 8.885 1.640 9.410
48 1HB PRO 8 1HB PRO 8 6.861 2.083 11.296
49 2HB PRO 8 2HB PRO 8 7.009 0.651 10.243
50 1HG PRO 8 1HG PRO 8 7.889 0.969 13.091
51 2HG PRO 8 2HG PRO 8 7.079 -0.432 12.314
52 1HD PRO 8 1HD PRO 8 9.760 -0.411 12.764
53 2HD PRO 8 2HD PRO 8 9.070 -1.144 11.284
54 H GLY 9 H GLY 9 8.414 3.762 9.129
55 1HA GLY 9 1HA GLY 9 8.068 5.974 10.321
56 2HA GLY 9 2HA GLY 9 9.718 5.712 10.918
57 HA PRO 11 HA PRO 11 14.645 8.157 -1.622
58 1HB PRO 11 1HB PRO 11 13.568 5.909 -2.675
59 2HB PRO 11 2HB PRO 11 15.319 6.021 -2.331
60 1HG PRO 11 1HG PRO 11 13.156 4.685 -0.724
61 2HG PRO 11 2HG PRO 11 14.798 4.084 -1.097
62 1HD PRO 11 1HD PRO 11 14.006 5.453 1.257
63 2HD PRO 11 2HD PRO 11 15.686 5.249 0.723
64 H VAL 12 H VAL 12 12.318 7.926 -2.860
65 HA VAL 12 HA VAL 12 10.243 8.400 -0.765
66 HB VAL 12 HB VAL 12 10.279 9.729 -3.479
67 1HG1 VAL 12 1HG1 VAL 12 8.880 10.339 -0.826
68 2HG1 VAL 12 2HG1 VAL 12 8.821 11.368 -2.269
69 3HG1 VAL 12 3HG1 VAL 12 8.113 9.749 -2.316
70 1HG2 VAL 12 1HG2 VAL 12 11.452 10.776 -0.863
71 2HG2 VAL 12 2HG2 VAL 12 12.331 10.489 -2.385
72 3HG2 VAL 12 3HG2 VAL 12 11.123 11.767 -2.300
73 H GLU 13 H GLU 13 11.019 6.560 -3.688
74 HA GLU 13 HA GLU 13 8.426 5.798 -4.424
75 1HB GLU 13 1HB GLU 13 10.446 5.416 -5.721
76 2HB GLU 13 2HB GLU 13 11.041 4.230 -4.551
77 1HG GLU 13 1HG GLU 13 9.352 2.647 -5.164
78 2HG GLU 13 2HG GLU 13 8.380 3.872 -5.986
79 H ASP 14 H ASP 14 10.512 4.446 -1.835
80 HA ASP 14 HA ASP 14 8.758 2.298 -1.230
81 1HB ASP 14 1HB ASP 14 10.112 1.704 0.447
82 2HB ASP 14 2HB ASP 14 11.232 2.624 -0.539
83 H LEU 15 H LEU 15 8.670 5.678 -0.322
84 HA LEU 15 HA LEU 15 6.858 5.461 1.885
85 1HB LEU 15 1HB LEU 15 8.635 7.325 0.950
86 2HB LEU 15 2HB LEU 15 7.178 7.945 0.218
87 HG LEU 15 HG LEU 15 7.616 9.026 2.237
88 1HD1 LEU 15 1HD1 LEU 15 5.532 8.767 3.482
89 2HD1 LEU 15 2HD1 LEU 15 5.278 7.148 2.796
90 3HD1 LEU 15 3HD1 LEU 15 5.216 8.586 1.752
91 1HD2 LEU 15 1HD2 LEU 15 7.516 6.395 3.769
92 2HD2 LEU 15 2HD2 LEU 15 7.812 8.013 4.430
93 3HD2 LEU 15 3HD2 LEU 15 8.991 7.284 3.336
94 H ILE 16 H ILE 16 6.639 6.406 -1.555
95 HA ILE 16 HA ILE 16 3.860 6.862 -1.690
96 HB ILE 16 HB ILE 16 5.877 5.943 -3.779
97 1HG1 ILE 16 1HG1 ILE 16 6.392 8.138 -2.852
98 2HG1 ILE 16 2HG1 ILE 16 5.908 8.258 -4.526
99 1HG2 ILE 16 1HG2 ILE 16 4.270 6.794 -5.495
100 2HG2 ILE 16 2HG2 ILE 16 3.773 5.298 -4.694
101 3HG2 ILE 16 3HG2 ILE 16 3.015 6.834 -4.241
102 1HD1 ILE 16 1HD1 ILE 16 5.017 10.093 -3.161
103 2HD1 ILE 16 2HD1 ILE 16 3.696 9.127 -3.834
104 3HD1 ILE 16 3HD1 ILE 16 4.158 8.959 -2.121
105 H ARG 17 H ARG 17 5.656 3.778 -2.332
106 HA ARG 17 HA ARG 17 3.203 2.371 -2.836
107 1HB ARG 17 1HB ARG 17 4.454 0.314 -2.732
108 2HB ARG 17 2HB ARG 17 5.369 1.530 -3.635
109 1HG ARG 17 1HG ARG 17 6.628 2.004 -1.485
110 2HG ARG 17 2HG ARG 17 5.880 0.564 -0.787
111 1HD ARG 17 1HD ARG 17 7.693 0.655 -3.241
112 2HD ARG 17 2HD ARG 17 8.156 0.155 -1.609
113 HE ARG 17 HE ARG 17 5.959 -1.254 -3.034
114 1HH1 ARG 17 1HH1 ARG 17 9.374 -1.401 -2.067
115 2HH1 ARG 17 2HH1 ARG 17 9.429 -3.128 -2.051
116 1HH2 ARG 17 1HH2 ARG 17 5.973 -3.524 -2.858
117 2HH2 ARG 17 2HH2 ARG 17 7.451 -4.349 -2.437
118 H PHE 18 H PHE 18 4.998 2.756 0.225
119 HA PHE 18 HA PHE 18 3.316 1.102 1.781
120 1HB PHE 18 1HB PHE 18 5.491 1.934 2.468
121 2HB PHE 18 2HB PHE 18 4.949 3.600 2.386
122 HD1 PHE 18 HD1 PHE 18 3.454 4.552 4.127
123 HD2 PHE 18 HD2 PHE 18 5.111 0.587 4.425
124 HE1 PHE 18 HE1 PHE 18 3.130 4.596 6.594
125 HE2 PHE 18 HE2 PHE 18 4.807 0.638 6.878
126 HZ PHE 18 HZ PHE 18 3.845 2.653 7.967
127 H TYR 19 H TYR 19 2.874 4.469 0.694
128 HA TYR 19 HA TYR 19 0.633 4.962 2.489
129 1HB TYR 19 1HB TYR 19 2.214 6.656 1.324
130 2HB TYR 19 2HB TYR 19 1.231 6.454 -0.100
131 HD1 TYR 19 HD1 TYR 19 -1.275 7.053 -0.003
132 HD2 TYR 19 HD2 TYR 19 1.507 8.037 3.156
133 HE1 TYR 19 HE1 TYR 19 -2.814 8.804 0.801
134 HE2 TYR 19 HE2 TYR 19 -0.051 9.785 3.969
135 HH TYR 19 HH TYR 19 -3.063 10.119 3.447
136 H ASN 20 H ASN 20 1.030 4.186 -0.900
137 HA ASN 20 HA ASN 20 -1.755 4.202 -1.640
138 1HB ASN 20 1HB ASN 20 0.166 4.512 -3.207
139 2HB ASN 20 2HB ASN 20 0.593 2.809 -2.943
140 1HD2 ASN 20 2HD2 ASN 20 -0.326 1.333 -4.357
141 2HD2 ASN 20 1HD2 ASN 20 -1.668 1.716 -5.416
142 H ASP 21 H ASP 21 0.409 1.586 -0.448
143 HA ASP 21 HA ASP 21 -1.246 -0.611 -1.117
144 1HB ASP 21 1HB ASP 21 0.959 -0.092 0.859
145 2HB ASP 21 2HB ASP 21 -0.084 -1.481 1.146
146 H LEU 22 H LEU 22 -1.235 1.549 1.712
147 HA LEU 22 HA LEU 22 -3.318 0.256 3.165
148 1HB LEU 22 1HB LEU 22 -2.466 3.181 3.116
149 2HB LEU 22 2HB LEU 22 -3.547 2.483 4.312
150 HG LEU 22 HG LEU 22 -0.731 1.417 3.933
151 1HD1 LEU 22 1HD1 LEU 22 -0.542 3.787 4.437
152 2HD1 LEU 22 2HD1 LEU 22 -0.104 2.852 5.861
153 3HD1 LEU 22 3HD1 LEU 22 -1.695 3.637 5.786
154 1HD2 LEU 22 1HD2 LEU 22 -1.059 0.538 6.184
155 2HD2 LEU 22 2HD2 LEU 22 -2.345 -0.035 5.142
156 3HD2 LEU 22 3HD2 LEU 22 -2.687 1.281 6.274
157 H GLN 23 H GLN 23 -3.404 2.243 0.283
158 HA GLN 23 HA GLN 23 -6.220 3.007 0.631
159 1HB GLN 23 1HB GLN 23 -4.556 3.133 -1.946
160 2HB GLN 23 2HB GLN 23 -6.122 3.862 -1.644
161 1HG GLN 23 1HG GLN 23 -3.484 4.636 -0.372
162 2HG GLN 23 2HG GLN 23 -4.472 5.584 -1.494
163 1HE2 GLN 23 2HE2 GLN 23 -3.575 5.693 1.590
164 2HE2 GLN 23 1HE2 GLN 23 -5.085 6.285 2.307
165 H GLN 24 H GLN 24 -4.259 0.667 -1.243
166 HA GLN 24 HA GLN 24 -6.398 -0.533 -2.617
167 1HB GLN 24 1HB GLN 24 -3.927 -0.825 -3.062
168 2HB GLN 24 2HB GLN 24 -3.891 -1.986 -1.733
169 1HG GLN 24 1HG GLN 24 -5.570 -3.387 -2.820
170 2HG GLN 24 2HG GLN 24 -5.817 -2.188 -4.094
171 1HE2 GLN 24 2HE2 GLN 24 -3.593 -1.577 -5.230
172 2HE2 GLN 24 1HE2 GLN 24 -2.712 -3.008 -5.789
173 H TYR 25 H TYR 25 -5.050 -1.193 0.568
174 HA TYR 25 HA TYR 25 -6.628 -3.477 1.171
175 1HB TYR 25 1HB TYR 25 -4.608 -2.582 2.443
176 2HB TYR 25 2HB TYR 25 -5.684 -1.392 3.186
177 HD1 TYR 25 HD1 TYR 25 -6.712 -2.002 5.232
178 HD2 TYR 25 HD2 TYR 25 -5.470 -5.099 2.502
179 HE1 TYR 25 HE1 TYR 25 -7.425 -3.735 6.863
180 HE2 TYR 25 HE2 TYR 25 -6.217 -6.824 4.104
181 HH TYR 25 HH TYR 25 -6.696 -7.128 6.395
182 H LEU 26 H LEU 26 -7.674 -0.197 0.933
183 HA LEU 26 HA LEU 26 -10.223 -0.903 2.243
184 1HB LEU 26 1HB LEU 26 -9.137 1.799 1.456
185 2HB LEU 26 2HB LEU 26 -10.699 1.523 2.236
186 HG LEU 26 HG LEU 26 -7.996 0.806 3.442
187 1HD1 LEU 26 1HD1 LEU 26 -9.880 3.099 4.133
188 2HD1 LEU 26 2HD1 LEU 26 -8.327 3.247 3.246
189 3HD1 LEU 26 3HD1 LEU 26 -8.344 2.716 4.928
190 1HD2 LEU 26 1HD2 LEU 26 -10.801 0.658 4.595
191 2HD2 LEU 26 2HD2 LEU 26 -9.310 0.580 5.568
192 3HD2 LEU 26 3HD2 LEU 26 -9.639 -0.665 4.372
193 H ASN 27 H ASN 27 -8.800 -0.386 -0.728
194 HA ASN 27 HA ASN 27 -11.276 -0.108 -2.184
195 1HB ASN 27 1HB ASN 27 -8.810 0.905 -2.560
196 2HB ASN 27 2HB ASN 27 -8.544 -0.615 -3.427
197 1HD2 ASN 27 2HD2 ASN 27 -8.232 1.814 -4.699
198 2HD2 ASN 27 1HD2 ASN 27 -9.708 2.168 -5.615
199 H VAL 28 H VAL 28 -9.431 -2.751 -1.231
200 HA VAL 28 HA VAL 28 -10.893 -4.448 -3.183
201 HB VAL 28 HB VAL 28 -8.208 -4.869 -1.783
202 1HG1 VAL 28 1HG1 VAL 28 -9.547 -6.649 -3.879
203 2HG1 VAL 28 2HG1 VAL 28 -7.865 -6.817 -3.307
204 3HG1 VAL 28 3HG1 VAL 28 -9.196 -7.075 -2.187
205 1HG2 VAL 28 1HG2 VAL 28 -7.231 -4.682 -4.078
206 2HG2 VAL 28 2HG2 VAL 28 -8.841 -4.289 -4.719
207 3HG2 VAL 28 3HG2 VAL 28 -8.026 -3.191 -3.582
208 H VAL 29 H VAL 29 -10.645 -3.657 0.040
209 HA VAL 29 HA VAL 29 -12.056 -6.224 0.744
210 HB VAL 29 HB VAL 29 -10.729 -4.283 2.631
211 1HG1 VAL 29 1HG1 VAL 29 -12.549 -5.693 3.627
212 2HG1 VAL 29 2HG1 VAL 29 -11.726 -7.145 3.033
213 3HG1 VAL 29 3HG1 VAL 29 -10.950 -6.123 4.253
214 1HG2 VAL 29 1HG2 VAL 29 -8.976 -6.041 2.854
215 2HG2 VAL 29 2HG2 VAL 29 -9.708 -6.909 1.481
216 3HG2 VAL 29 3HG2 VAL 29 -9.003 -5.283 1.264
217 H THR 30 H THR 30 -12.264 -2.786 1.639
218 HA THR 30 HA THR 30 -14.988 -3.125 2.401
219 HB THR 30 HB THR 30 -14.712 -0.393 1.740
220 HG1 THR 30 HG1 THR 30 -12.502 -0.540 1.679
221 1HG2 THR 30 1HG2 THR 30 -15.902 -1.349 3.727
222 2HG2 THR 30 2HG2 THR 30 -14.815 -0.007 4.119
223 3HG2 THR 30 3HG2 THR 30 -14.332 -1.671 4.466
224 H ARG 31 H ARG 31 -13.572 -2.206 -0.723
225 HA ARG 31 HA ARG 31 -16.076 -1.572 -1.971
226 1HB ARG 31 1HB ARG 31 -13.575 -1.152 -2.715
227 2HB ARG 31 2HB ARG 31 -13.702 -2.777 -3.395
228 1HG ARG 31 1HG ARG 31 -14.051 -1.297 -5.161
229 2HG ARG 31 2HG ARG 31 -15.657 -1.922 -4.807
230 1HD ARG 31 1HD ARG 31 -16.259 0.151 -3.656
231 2HD ARG 31 2HD ARG 31 -14.586 0.726 -3.734
232 HE ARG 31 HE ARG 31 -14.705 0.897 -6.103
233 1HH1 ARG 31 1HH1 ARG 31 -17.887 0.850 -4.450
234 2HH1 ARG 31 2HH1 ARG 31 -18.730 1.514 -5.806
235 1HH2 ARG 31 1HH2 ARG 31 -15.909 1.732 -7.939
236 2HH2 ARG 31 2HH2 ARG 31 -17.607 2.017 -7.733
237 H HIS 32 H HIS 32 -14.903 -4.573 -0.880
238 HA HIS 32 HA HIS 32 -16.676 -6.080 -2.696
239 1HB HIS 32 1HB HIS 32 -14.005 -6.454 -2.439
240 2HB HIS 32 2HB HIS 32 -14.585 -7.555 -1.190
241 HD1 HIS 32 HD1 HIS 32 -16.368 -9.533 -2.186
242 HD2 HIS 32 HD2 HIS 32 -14.514 -6.941 -4.954
243 HE1 HIS 32 HE1 HIS 32 -16.921 -10.436 -4.487
244 H ARG 33 H ARG 33 -16.859 -4.725 0.255
245 HA ARG 33 HA ARG 33 -18.653 -6.865 1.194
246 1HB ARG 33 1HB ARG 33 -16.387 -7.086 2.390
247 2HB ARG 33 2HB ARG 33 -16.703 -5.518 3.110
248 1HG ARG 33 1HG ARG 33 -17.389 -7.192 4.698
249 2HG ARG 33 2HG ARG 33 -18.850 -6.439 4.062
250 1HD ARG 33 1HD ARG 33 -18.820 -8.504 2.377
251 2HD ARG 33 2HD ARG 33 -17.732 -9.214 3.558
252 HE ARG 33 HE ARG 33 -20.594 -8.577 3.795
253 1HH1 ARG 33 1HH1 ARG 33 -17.667 -9.723 5.526
254 2HH1 ARG 33 2HH1 ARG 33 -18.570 -10.302 6.871
255 1HH2 ARG 33 1HH2 ARG 33 -21.754 -9.602 5.591
256 2HH2 ARG 33 2HH2 ARG 33 -20.843 -10.101 6.961
257 H TYR 34 H TYR 34 -17.548 -3.473 1.844
258 HA TYR 34 HA TYR 34 -20.212 -2.826 2.938
259 1HB TYR 34 1HB TYR 34 -18.220 -1.810 3.951
260 2HB TYR 34 2HB TYR 34 -17.709 -1.193 2.373
261 HD1 TYR 34 HD1 TYR 34 -17.897 1.124 2.225
262 HD2 TYR 34 HD2 TYR 34 -20.950 -1.083 4.360
263 HE1 TYR 34 HE1 TYR 34 -19.104 3.214 2.652
264 HE2 TYR 34 HE2 TYR 34 -22.179 1.022 4.753
265 HH TYR 34 HH TYR 34 -20.830 4.182 3.782
266 1HN NH2 35 1H NH2 35 -18.208 -2.474 0.007
267 2HN NH2 35 2H NH2 35 -19.558 -2.231 -1.062
268 2HN ZAB 10 H AZO 10 11.400 6.249 9.522
269 2HA ZAB 10 2HA AZO 10 11.567 5.871 6.746
270 3HA ZAB 10 3HA AZO 10 10.808 7.455 6.958
271 HG2 ZAB 10 HG2 AZO 10 13.676 5.607 8.608
272 HD2 ZAB 10 HD2 AZO 10 15.942 6.590 8.824
273 HE ZAB 10 HE AZO 10 16.400 8.856 7.927
274 HG1 ZAB 10 HG1 AZO 10 12.308 9.185 6.631
275 HJ2 ZAB 10 HJ2 AZO 10 17.869 11.508 5.446
276 HK2 ZAB 10 HK2 AZO 10 19.214 10.532 3.624
277 HL ZAB 10 HL AZO 10 18.281 8.715 2.205
278 HJ1 ZAB 10 HJ1 AZO 10 14.594 8.899 4.433
279 2HM ZAB 10 2HM AZO 10 16.590 6.859 2.149
280 3HM ZAB 10 3HM AZO 10 15.028 7.047 2.949
Start of MODEL 8
1 1H GLY 1 H GLY 1 -0.165 -6.408 14.745
2 1HA GLY 1 1HA GLY 1 0.178 -7.850 12.182
3 2HA GLY 1 2HA GLY 1 -0.332 -6.149 12.295
4 HA PRO 2 HA PRO 2 4.408 -6.572 12.670
5 1HB PRO 2 1HB PRO 2 5.355 -6.716 10.123
6 2HB PRO 2 2HB PRO 2 4.782 -8.176 10.986
7 1HG PRO 2 1HG PRO 2 3.233 -6.445 9.022
8 2HG PRO 2 2HG PRO 2 3.423 -8.230 9.002
9 1HD PRO 2 1HD PRO 2 1.250 -6.971 10.108
10 2HD PRO 2 2HD PRO 2 1.906 -8.495 10.777
11 H SER 3 H SER 3 6.021 -4.848 11.597
12 HA SER 3 HA SER 3 4.971 -2.637 10.212
13 1HB SER 3 1HB SER 3 5.184 -0.904 11.988
14 2HB SER 3 2HB SER 3 3.806 -1.982 12.194
15 HG SER 3 HG SER 3 6.235 -1.851 13.615
16 H GLN 4 H GLN 4 6.748 -0.868 10.086
17 HA GLN 4 HA GLN 4 9.464 -1.910 10.671
18 1HB GLN 4 1HB GLN 4 8.321 -0.995 7.983
19 2HB GLN 4 2HB GLN 4 10.044 -1.106 8.299
20 1HG GLN 4 1HG GLN 4 9.816 -3.518 8.832
21 2HG GLN 4 2HG GLN 4 8.091 -3.438 8.515
22 1HE2 GLN 4 2HE2 GLN 4 11.273 -3.014 6.896
23 2HE2 GLN 4 1HE2 GLN 4 10.604 -3.450 5.320
24 HA PRO 5 HA PRO 5 10.151 2.248 11.972
25 1HB PRO 5 1HB PRO 5 12.807 2.702 11.398
26 2HB PRO 5 2HB PRO 5 12.256 1.561 12.660
27 1HG PRO 5 1HG PRO 5 13.014 0.914 9.796
28 2HG PRO 5 2HG PRO 5 13.603 0.132 11.301
29 1HD PRO 5 1HD PRO 5 11.579 -0.945 9.880
30 2HD PRO 5 2HD PRO 5 11.510 -0.941 11.666
31 H THR 6 H THR 6 10.799 4.484 11.253
32 HA THR 6 HA THR 6 10.065 4.885 8.432
33 HB THR 6 HB THR 6 10.377 7.021 10.525
34 HG1 THR 6 HG1 THR 6 8.225 5.201 10.218
35 1HG2 THR 6 1HG2 THR 6 8.514 6.696 8.138
36 2HG2 THR 6 2HG2 THR 6 9.865 7.844 8.287
37 3HG2 THR 6 3HG2 THR 6 8.436 8.019 9.304
38 H TYR 7 H TYR 7 11.249 6.619 7.238
39 HA TYR 7 HA TYR 7 14.072 6.978 7.978
40 1HB TYR 7 1HB TYR 7 12.928 5.639 5.508
41 2HB TYR 7 2HB TYR 7 14.406 6.562 5.373
42 HD1 TYR 7 HD1 TYR 7 12.879 3.550 6.903
43 HD2 TYR 7 HD2 TYR 7 16.491 5.873 6.442
44 HE1 TYR 7 HE1 TYR 7 14.198 1.674 7.815
45 HE2 TYR 7 HE2 TYR 7 17.817 4.010 7.338
46 HH TYR 7 HH TYR 7 16.480 0.839 7.789
47 HA PRO 8 HA PRO 8 13.202 11.080 6.693
48 1HB PRO 8 1HB PRO 8 15.613 11.899 5.512
49 2HB PRO 8 2HB PRO 8 15.258 11.822 7.231
50 1HG PRO 8 1HG PRO 8 16.833 9.924 5.554
51 2HG PRO 8 2HG PRO 8 17.015 10.303 7.280
52 1HD PRO 8 1HD PRO 8 15.803 8.023 6.235
53 2HD PRO 8 2HD PRO 8 15.546 8.653 7.883
54 H GLY 9 H GLY 9 11.609 10.265 5.210
55 1HA GLY 9 1HA GLY 9 12.100 10.520 2.326
56 2HA GLY 9 2HA GLY 9 10.827 9.557 3.113
57 HA PRO 11 HA PRO 11 13.336 7.350 -1.281
58 1HB PRO 11 1HB PRO 11 12.016 6.808 1.170
59 2HB PRO 11 2HB PRO 11 13.536 6.079 0.588
60 1HG PRO 11 1HG PRO 11 13.052 8.301 2.531
61 2HG PRO 11 2HG PRO 11 14.364 7.092 2.531
62 1HD PRO 11 1HD PRO 11 14.649 9.699 1.702
63 2HD PRO 11 2HD PRO 11 15.647 8.370 1.036
64 H VAL 12 H VAL 12 11.480 7.435 -2.342
65 HA VAL 12 HA VAL 12 9.134 8.886 -1.343
66 HB VAL 12 HB VAL 12 10.505 9.568 -3.984
67 1HG1 VAL 12 1HG1 VAL 12 8.510 11.069 -4.389
68 2HG1 VAL 12 2HG1 VAL 12 8.141 9.348 -4.518
69 3HG1 VAL 12 3HG1 VAL 12 7.679 10.240 -3.060
70 1HG2 VAL 12 1HG2 VAL 12 10.316 11.897 -3.158
71 2HG2 VAL 12 2HG2 VAL 12 9.611 11.299 -1.634
72 3HG2 VAL 12 3HG2 VAL 12 11.284 10.892 -2.085
73 H GLU 13 H GLU 13 10.655 6.811 -3.923
74 HA GLU 13 HA GLU 13 8.263 5.858 -5.043
75 1HB GLU 13 1HB GLU 13 10.636 5.580 -5.881
76 2HB GLU 13 2HB GLU 13 10.894 4.336 -4.651
77 1HG GLU 13 1HG GLU 13 9.117 2.955 -5.597
78 2HG GLU 13 2HG GLU 13 8.673 4.243 -6.720
79 H ASP 14 H ASP 14 10.133 4.666 -2.282
80 HA ASP 14 HA ASP 14 8.513 2.374 -1.730
81 1HB ASP 14 1HB ASP 14 9.811 2.139 0.232
82 2HB ASP 14 2HB ASP 14 10.912 2.661 -1.045
83 H LEU 15 H LEU 15 8.602 5.713 -0.654
84 HA LEU 15 HA LEU 15 6.671 5.585 1.412
85 1HB LEU 15 1HB LEU 15 8.369 7.419 0.810
86 2HB LEU 15 2HB LEU 15 7.181 8.025 -0.344
87 HG LEU 15 HG LEU 15 6.564 7.660 2.613
88 1HD1 LEU 15 1HD1 LEU 15 8.502 9.167 2.361
89 2HD1 LEU 15 2HD1 LEU 15 7.071 10.054 2.886
90 3HD1 LEU 15 3HD1 LEU 15 7.597 10.152 1.190
91 1HD2 LEU 15 1HD2 LEU 15 5.260 9.346 0.428
92 2HD2 LEU 15 2HD2 LEU 15 4.852 9.428 2.152
93 3HD2 LEU 15 3HD2 LEU 15 4.541 7.951 1.252
94 H ILE 16 H ILE 16 6.247 6.565 -2.043
95 HA ILE 16 HA ILE 16 3.449 6.865 -1.928
96 HB ILE 16 HB ILE 16 5.115 5.992 -4.335
97 1HG1 ILE 16 1HG1 ILE 16 6.024 8.090 -3.807
98 2HG1 ILE 16 2HG1 ILE 16 4.865 8.426 -5.041
99 1HG2 ILE 16 1HG2 ILE 16 2.730 5.582 -4.746
100 2HG2 ILE 16 2HG2 ILE 16 2.310 7.206 -4.173
101 3HG2 ILE 16 3HG2 ILE 16 3.237 6.983 -5.668
102 1HD1 ILE 16 1HD1 ILE 16 3.254 9.218 -3.283
103 2HD1 ILE 16 2HD1 ILE 16 4.514 8.919 -2.056
104 3HD1 ILE 16 3HD1 ILE 16 4.791 10.107 -3.324
105 H ARG 17 H ARG 17 5.320 3.884 -2.894
106 HA ARG 17 HA ARG 17 2.844 2.453 -3.210
107 1HB ARG 17 1HB ARG 17 4.109 0.410 -3.412
108 2HB ARG 17 2HB ARG 17 4.897 1.687 -4.326
109 1HG ARG 17 1HG ARG 17 6.426 2.017 -2.300
110 2HG ARG 17 2HG ARG 17 5.716 0.544 -1.635
111 1HD ARG 17 1HD ARG 17 6.448 -0.599 -3.824
112 2HD ARG 17 2HD ARG 17 7.363 0.870 -4.176
113 HE ARG 17 HE ARG 17 8.955 0.208 -2.684
114 1HH1 ARG 17 1HH1 ARG 17 6.098 -1.884 -2.250
115 2HH1 ARG 17 2HH1 ARG 17 6.724 -2.665 -0.834
116 1HH2 ARG 17 1HH2 ARG 17 9.810 -0.888 -0.776
117 2HH2 ARG 17 2HH2 ARG 17 8.909 -2.209 -0.105
118 H PHE 18 H PHE 18 4.988 2.699 -0.353
119 HA PHE 18 HA PHE 18 3.569 0.854 1.248
120 1HB PHE 18 1HB PHE 18 5.778 1.811 1.764
121 2HB PHE 18 2HB PHE 18 5.078 3.415 1.934
122 HD1 PHE 18 HD1 PHE 18 3.567 3.939 3.891
123 HD2 PHE 18 HD2 PHE 18 5.785 0.240 3.572
124 HE1 PHE 18 HE1 PHE 18 3.254 3.534 6.312
125 HE2 PHE 18 HE2 PHE 18 5.506 -0.125 6.004
126 HZ PHE 18 HZ PHE 18 4.195 1.499 7.367
127 H TYR 19 H TYR 19 2.958 4.271 0.478
128 HA TYR 19 HA TYR 19 0.870 4.620 2.433
129 1HB TYR 19 1HB TYR 19 2.317 6.404 1.320
130 2HB TYR 19 2HB TYR 19 1.338 6.227 -0.119
131 HD1 TYR 19 HD1 TYR 19 -0.577 7.628 -0.322
132 HD2 TYR 19 HD2 TYR 19 0.999 6.714 3.597
133 HE1 TYR 19 HE1 TYR 19 -2.168 9.224 0.681
134 HE2 TYR 19 HE2 TYR 19 -0.601 8.302 4.614
135 HH TYR 19 HH TYR 19 -1.830 10.352 3.857
136 H ASN 20 H ASN 20 0.898 4.245 -1.083
137 HA ASN 20 HA ASN 20 -1.912 4.118 -1.505
138 1HB ASN 20 1HB ASN 20 -0.308 4.418 -3.340
139 2HB ASN 20 2HB ASN 20 0.268 2.753 -3.118
140 1HD2 ASN 20 2HD2 ASN 20 -0.604 1.383 -4.672
141 2HD2 ASN 20 1HD2 ASN 20 -2.202 1.583 -5.358
142 H ASP 21 H ASP 21 0.358 1.610 -0.468
143 HA ASP 21 HA ASP 21 -1.247 -0.644 -0.909
144 1HB ASP 21 1HB ASP 21 1.222 -0.114 0.434
145 2HB ASP 21 2HB ASP 21 0.202 -0.855 1.635
146 H LEU 22 H LEU 22 -1.275 1.686 1.769
147 HA LEU 22 HA LEU 22 -3.221 0.280 3.386
148 1HB LEU 22 1HB LEU 22 -2.448 3.227 3.289
149 2HB LEU 22 2HB LEU 22 -3.563 2.552 4.458
150 HG LEU 22 HG LEU 22 -0.694 1.569 4.226
151 1HD1 LEU 22 1HD1 LEU 22 -1.861 3.682 6.093
152 2HD1 LEU 22 2HD1 LEU 22 -0.747 3.994 4.724
153 3HD1 LEU 22 3HD1 LEU 22 -0.199 3.054 6.111
154 1HD2 LEU 22 1HD2 LEU 22 -2.811 1.365 6.437
155 2HD2 LEU 22 2HD2 LEU 22 -1.143 0.768 6.535
156 3HD2 LEU 22 3HD2 LEU 22 -2.255 0.031 5.392
157 H GLN 23 H GLN 23 -3.404 2.619 0.714
158 HA GLN 23 HA GLN 23 -6.270 3.107 1.061
159 1HB GLN 23 1HB GLN 23 -4.366 3.698 -1.251
160 2HB GLN 23 2HB GLN 23 -6.107 3.911 -1.354
161 1HG GLN 23 1HG GLN 23 -5.435 6.029 -0.755
162 2HG GLN 23 2HG GLN 23 -5.892 5.363 0.807
163 1HE2 GLN 23 2HE2 GLN 23 -4.180 5.054 2.395
164 2HE2 GLN 23 1HE2 GLN 23 -2.510 5.389 1.960
165 H GLN 24 H GLN 24 -4.223 0.930 -0.939
166 HA GLN 24 HA GLN 24 -6.317 -0.284 -2.372
167 1HB GLN 24 1HB GLN 24 -3.916 -0.494 -2.935
168 2HB GLN 24 2HB GLN 24 -3.687 -1.537 -1.524
169 1HG GLN 24 1HG GLN 24 -5.140 -3.244 -2.442
170 2HG GLN 24 2HG GLN 24 -5.717 -2.149 -3.702
171 1HE2 GLN 24 2HE2 GLN 24 -2.893 -4.198 -2.727
172 2HE2 GLN 24 1HE2 GLN 24 -2.378 -4.380 -4.367
173 H TYR 25 H TYR 25 -4.846 -1.130 0.718
174 HA TYR 25 HA TYR 25 -6.457 -3.419 1.325
175 1HB TYR 25 1HB TYR 25 -4.406 -2.527 2.640
176 2HB TYR 25 2HB TYR 25 -5.510 -1.379 3.390
177 HD1 TYR 25 HD1 TYR 25 -6.995 -2.132 5.217
178 HD2 TYR 25 HD2 TYR 25 -4.770 -4.958 2.853
179 HE1 TYR 25 HE1 TYR 25 -7.630 -3.926 6.796
180 HE2 TYR 25 HE2 TYR 25 -5.422 -6.773 4.420
181 HH TYR 25 HH TYR 25 -7.473 -6.289 7.270
182 H LEU 26 H LEU 26 -7.304 0.030 1.632
183 HA LEU 26 HA LEU 26 -9.833 -0.862 2.816
184 1HB LEU 26 1HB LEU 26 -8.828 1.955 2.268
185 2HB LEU 26 2HB LEU 26 -10.288 1.563 3.183
186 HG LEU 26 HG LEU 26 -7.491 0.713 3.993
187 1HD1 LEU 26 1HD1 LEU 26 -7.814 3.197 4.004
188 2HD1 LEU 26 2HD1 LEU 26 -7.539 2.527 5.621
189 3HD1 LEU 26 3HD1 LEU 26 -9.179 2.987 5.110
190 1HD2 LEU 26 1HD2 LEU 26 -10.058 0.642 5.594
191 2HD2 LEU 26 2HD2 LEU 26 -8.438 0.208 6.175
192 3HD2 LEU 26 3HD2 LEU 26 -9.203 -0.770 4.925
193 H ASN 27 H ASN 27 -8.806 -0.562 -0.301
194 HA ASN 27 HA ASN 27 -11.490 0.186 -1.246
195 1HB ASN 27 1HB ASN 27 -8.640 0.271 -2.289
196 2HB ASN 27 2HB ASN 27 -9.911 0.024 -3.422
197 1HD2 ASN 27 2HD2 ASN 27 -8.437 2.285 -1.273
198 2HD2 ASN 27 1HD2 ASN 27 -9.309 3.723 -1.751
199 H VAL 28 H VAL 28 -9.146 -2.424 -1.156
200 HA VAL 28 HA VAL 28 -10.763 -3.987 -3.105
201 HB VAL 28 HB VAL 28 -8.295 -4.696 -1.449
202 1HG1 VAL 28 1HG1 VAL 28 -9.675 -6.304 -3.651
203 2HG1 VAL 28 2HG1 VAL 28 -8.084 -6.674 -2.944
204 3HG1 VAL 28 3HG1 VAL 28 -9.531 -6.770 -1.940
205 1HG2 VAL 28 1HG2 VAL 28 -7.112 -4.538 -3.595
206 2HG2 VAL 28 2HG2 VAL 28 -8.625 -4.128 -4.436
207 3HG2 VAL 28 3HG2 VAL 28 -7.921 -3.004 -3.259
208 H VAL 29 H VAL 29 -10.365 -3.563 0.349
209 HA VAL 29 HA VAL 29 -11.863 -5.934 1.032
210 HB VAL 29 HB VAL 29 -10.728 -3.585 2.522
211 1HG1 VAL 29 1HG1 VAL 29 -12.798 -4.032 3.765
212 2HG1 VAL 29 2HG1 VAL 29 -12.411 -5.763 3.803
213 3HG1 VAL 29 3HG1 VAL 29 -11.389 -4.607 4.670
214 1HG2 VAL 29 1HG2 VAL 29 -10.243 -6.592 2.699
215 2HG2 VAL 29 2HG2 VAL 29 -9.237 -5.432 1.801
216 3HG2 VAL 29 3HG2 VAL 29 -9.341 -5.324 3.564
217 H THR 30 H THR 30 -12.738 -2.502 0.607
218 HA THR 30 HA THR 30 -15.437 -2.910 1.462
219 HB THR 30 HB THR 30 -15.655 -0.686 0.335
220 HG1 THR 30 HG1 THR 30 -13.122 0.055 0.382
221 1HG2 THR 30 1HG2 THR 30 -13.566 -0.910 2.571
222 2HG2 THR 30 2HG2 THR 30 -15.333 -0.840 2.792
223 3HG2 THR 30 3HG2 THR 30 -14.471 0.567 2.157
224 H ARG 31 H ARG 31 -13.835 -2.483 -1.695
225 HA ARG 31 HA ARG 31 -16.245 -2.697 -3.168
226 1HB ARG 31 1HB ARG 31 -13.406 -3.301 -4.026
227 2HB ARG 31 2HB ARG 31 -14.778 -3.292 -5.137
228 1HG ARG 31 1HG ARG 31 -15.281 -0.933 -4.611
229 2HG ARG 31 2HG ARG 31 -14.008 -0.892 -3.406
230 1HD ARG 31 1HD ARG 31 -13.131 0.129 -5.383
231 2HD ARG 31 2HD ARG 31 -12.335 -1.434 -5.201
232 HE ARG 31 HE ARG 31 -14.730 -1.045 -6.967
233 1HH1 ARG 31 1HH1 ARG 31 -11.310 -2.012 -6.755
234 2HH1 ARG 31 2HH1 ARG 31 -11.349 -3.003 -8.154
235 1HH2 ARG 31 1HH2 ARG 31 -14.795 -2.244 -8.801
236 2HH2 ARG 31 2HH2 ARG 31 -13.371 -2.952 -9.513
237 H HIS 32 H HIS 32 -14.892 -5.245 -1.381
238 HA HIS 32 HA HIS 32 -16.315 -7.286 -3.004
239 1HB HIS 32 1HB HIS 32 -14.023 -7.438 -1.011
240 2HB HIS 32 2HB HIS 32 -14.908 -8.837 -1.580
241 HD1 HIS 32 HD1 HIS 32 -12.136 -9.277 -2.282
242 HD2 HIS 32 HD2 HIS 32 -14.635 -6.858 -4.662
243 HE1 HIS 32 HE1 HIS 32 -11.028 -9.112 -4.560
244 H ARG 33 H ARG 33 -16.907 -5.236 -0.437
245 HA ARG 33 HA ARG 33 -18.790 -7.162 0.841
246 1HB ARG 33 1HB ARG 33 -16.850 -5.277 2.244
247 2HB ARG 33 2HB ARG 33 -18.212 -6.032 3.055
248 1HG ARG 33 1HG ARG 33 -16.001 -7.607 1.666
249 2HG ARG 33 2HG ARG 33 -15.980 -7.178 3.376
250 1HD ARG 33 1HD ARG 33 -18.146 -8.853 2.044
251 2HD ARG 33 2HD ARG 33 -16.761 -9.505 2.920
252 HE ARG 33 HE ARG 33 -17.942 -7.649 4.638
253 1HH1 ARG 33 1HH1 ARG 33 -19.118 -10.649 3.104
254 2HH1 ARG 33 2HH1 ARG 33 -19.873 -11.244 4.545
255 1HH2 ARG 33 1HH2 ARG 33 -18.928 -8.429 6.520
256 2HH2 ARG 33 2HH2 ARG 33 -19.947 -9.820 6.484
257 H TYR 34 H TYR 34 -18.224 -3.923 -0.407
258 HA TYR 34 HA TYR 34 -20.911 -3.068 0.406
259 1HB TYR 34 1HB TYR 34 -18.870 -2.016 1.580
260 2HB TYR 34 2HB TYR 34 -18.364 -1.439 0.004
261 HD1 TYR 34 HD1 TYR 34 -19.581 0.418 -1.118
262 HD2 TYR 34 HD2 TYR 34 -20.818 -1.127 2.732
263 HE1 TYR 34 HE1 TYR 34 -20.862 2.488 -0.699
264 HE2 TYR 34 HE2 TYR 34 -22.112 0.913 3.141
265 HH TYR 34 HH TYR 34 -22.257 3.192 2.489
266 1HN NH2 35 1H NH2 35 -21.956 -1.914 -1.379
267 2HN NH2 35 2H NH2 35 -21.256 -1.823 -2.979
268 2HN ZAB 10 H AZO 10 11.715 12.468 1.968
269 2HA ZAB 10 2HA AZO 10 9.263 13.948 2.595
270 3HA ZAB 10 3HA AZO 10 10.761 14.725 3.195
271 HG2 ZAB 10 HG2 AZO 10 8.890 13.581 0.204
272 HD2 ZAB 10 HD2 AZO 10 9.548 14.054 -2.137
273 HE ZAB 10 HE AZO 10 11.732 15.144 -2.626
274 HG1 ZAB 10 HG1 AZO 10 12.531 15.417 1.609
275 HJ2 ZAB 10 HJ2 AZO 10 15.920 15.508 -3.499
276 HK2 ZAB 10 HK2 AZO 10 17.141 13.446 -4.134
277 HL ZAB 10 HL AZO 10 16.904 11.391 -2.787
278 HJ1 ZAB 10 HJ1 AZO 10 14.247 13.463 -0.093
279 2HM ZAB 10 2HM AZO 10 16.380 10.536 -0.477
280 3HM ZAB 10 3HM AZO 10 15.141 11.344 0.490
Start of MODEL 9
1 1H GLY 1 H GLY 1 15.262 -0.808 -10.643
2 1HA GLY 1 1HA GLY 1 12.453 0.089 -10.333
3 2HA GLY 1 2HA GLY 1 13.579 0.739 -11.533
4 HA PRO 2 HA PRO 2 11.514 -2.710 -13.791
5 1HB PRO 2 1HB PRO 2 11.589 -1.624 -16.300
6 2HB PRO 2 2HB PRO 2 10.399 -1.110 -15.076
7 1HG PRO 2 1HG PRO 2 13.043 0.158 -15.742
8 2HG PRO 2 2HG PRO 2 11.450 0.968 -15.623
9 1HD PRO 2 1HD PRO 2 13.203 1.013 -13.549
10 2HD PRO 2 2HD PRO 2 11.462 0.813 -13.245
11 H SER 3 H SER 3 14.535 -1.893 -13.262
12 HA SER 3 HA SER 3 15.908 -4.033 -14.283
13 1HB SER 3 1HB SER 3 15.831 -2.326 -16.316
14 2HB SER 3 2HB SER 3 16.971 -1.382 -15.341
15 HG SER 3 HG SER 3 17.162 -4.082 -16.251
16 H GLN 4 H GLN 4 18.418 -3.279 -13.518
17 HA GLN 4 HA GLN 4 19.617 -2.960 -11.645
18 1HB GLN 4 1HB GLN 4 19.345 -0.716 -12.901
19 2HB GLN 4 2HB GLN 4 18.360 -0.207 -11.544
20 1HG GLN 4 1HG GLN 4 21.224 -1.251 -11.396
21 2HG GLN 4 2HG GLN 4 20.785 0.449 -11.448
22 1HE2 GLN 4 2HE2 GLN 4 19.113 1.127 -9.627
23 2HE2 GLN 4 1HE2 GLN 4 19.559 0.525 -8.037
24 HA PRO 5 HA PRO 5 16.036 -3.772 -8.746
25 1HB PRO 5 1HB PRO 5 16.654 -6.328 -8.030
26 2HB PRO 5 2HB PRO 5 15.731 -5.955 -9.515
27 1HG PRO 5 1HG PRO 5 18.693 -6.560 -9.257
28 2HG PRO 5 2HG PRO 5 17.530 -7.196 -10.456
29 1HD PRO 5 1HD PRO 5 19.207 -5.080 -10.964
30 2HD PRO 5 2HD PRO 5 17.587 -5.226 -11.708
31 H THR 6 H THR 6 16.490 -2.882 -6.713
32 HA THR 6 HA THR 6 19.314 -2.838 -5.895
33 HB THR 6 HB THR 6 17.788 -0.804 -5.923
34 HG1 THR 6 HG1 THR 6 19.639 -0.564 -5.117
35 1HG2 THR 6 1HG2 THR 6 16.487 -0.293 -3.963
36 2HG2 THR 6 2HG2 THR 6 16.865 -1.849 -3.226
37 3HG2 THR 6 3HG2 THR 6 15.843 -1.779 -4.680
38 H TYR 7 H TYR 7 19.610 -3.099 -3.455
39 HA TYR 7 HA TYR 7 19.134 -5.854 -2.854
40 1HB TYR 7 1HB TYR 7 20.217 -5.257 -0.640
41 2HB TYR 7 2HB TYR 7 21.126 -4.878 -2.082
42 HD1 TYR 7 HD1 TYR 7 18.819 -3.266 0.442
43 HD2 TYR 7 HD2 TYR 7 22.147 -2.809 -2.273
44 HE1 TYR 7 HE1 TYR 7 19.158 -0.962 1.237
45 HE2 TYR 7 HE2 TYR 7 22.503 -0.500 -1.453
46 HH TYR 7 HH TYR 7 21.445 1.328 -0.247
47 HA PRO 8 HA PRO 8 15.271 -5.782 -0.764
48 1HB PRO 8 1HB PRO 8 15.621 -7.477 1.404
49 2HB PRO 8 2HB PRO 8 15.426 -8.012 -0.291
50 1HG PRO 8 1HG PRO 8 18.003 -7.594 1.250
51 2HG PRO 8 2HG PRO 8 17.539 -9.002 0.240
52 1HD PRO 8 1HD PRO 8 19.126 -7.078 -0.743
53 2HD PRO 8 2HD PRO 8 17.822 -7.735 -1.765
54 H GLY 9 H GLY 9 14.419 -4.164 0.388
55 1HA GLY 9 1HA GLY 9 14.330 -3.381 2.877
56 2HA GLY 9 2HA GLY 9 15.955 -2.767 2.490
57 HA PRO 11 HA PRO 11 14.226 6.387 -3.903
58 1HB PRO 11 1HB PRO 11 12.693 4.113 -3.704
59 2HB PRO 11 2HB PRO 11 14.406 4.127 -4.205
60 1HG PRO 11 1HG PRO 11 13.273 3.528 -1.450
61 2HG PRO 11 2HG PRO 11 14.534 2.630 -2.345
62 1HD PRO 11 1HD PRO 11 15.090 4.477 -0.405
63 2HD PRO 11 2HD PRO 11 16.162 4.239 -1.817
64 H VAL 12 H VAL 12 12.905 8.202 -3.552
65 HA VAL 12 HA VAL 12 11.004 8.360 -1.434
66 HB VAL 12 HB VAL 12 11.047 9.924 -4.046
67 1HG1 VAL 12 1HG1 VAL 12 8.927 10.215 -2.861
68 2HG1 VAL 12 2HG1 VAL 12 9.776 10.510 -1.324
69 3HG1 VAL 12 3HG1 VAL 12 9.891 11.678 -2.660
70 1HG2 VAL 12 1HG2 VAL 12 12.276 11.652 -2.737
71 2HG2 VAL 12 2HG2 VAL 12 12.378 10.533 -1.361
72 3HG2 VAL 12 3HG2 VAL 12 13.211 10.168 -2.886
73 H GLU 13 H GLU 13 10.805 7.034 -4.714
74 HA GLU 13 HA GLU 13 8.014 6.767 -4.949
75 1HB GLU 13 1HB GLU 13 10.265 4.948 -5.927
76 2HB GLU 13 2HB GLU 13 8.598 4.861 -6.493
77 1HG GLU 13 1HG GLU 13 10.471 7.237 -6.845
78 2HG GLU 13 2HG GLU 13 10.081 6.039 -8.078
79 H ASP 14 H ASP 14 10.229 5.042 -2.794
80 HA ASP 14 HA ASP 14 8.670 2.639 -2.579
81 1HB ASP 14 1HB ASP 14 11.120 3.007 -1.918
82 2HB ASP 14 2HB ASP 14 10.493 3.685 -0.405
83 H LEU 15 H LEU 15 8.738 5.716 -0.848
84 HA LEU 15 HA LEU 15 6.934 5.020 1.231
85 1HB LEU 15 1HB LEU 15 8.138 7.515 0.020
86 2HB LEU 15 2HB LEU 15 6.671 7.714 0.893
87 HG LEU 15 HG LEU 15 8.613 8.158 2.267
88 1HD1 LEU 15 1HD1 LEU 15 7.204 5.655 3.285
89 2HD1 LEU 15 2HD1 LEU 15 6.588 7.320 3.386
90 3HD1 LEU 15 3HD1 LEU 15 8.065 6.875 4.248
91 1HD2 LEU 15 1HD2 LEU 15 9.377 5.231 1.899
92 2HD2 LEU 15 2HD2 LEU 15 10.196 6.398 2.943
93 3HD2 LEU 15 3HD2 LEU 15 10.213 6.618 1.177
94 H ILE 16 H ILE 16 6.521 6.229 -2.085
95 HA ILE 16 HA ILE 16 3.766 6.914 -1.889
96 HB ILE 16 HB ILE 16 5.231 5.849 -4.339
97 1HG1 ILE 16 1HG1 ILE 16 6.530 7.682 -3.431
98 2HG1 ILE 16 2HG1 ILE 16 5.742 8.121 -4.911
99 1HG2 ILE 16 1HG2 ILE 16 3.596 7.230 -5.598
100 2HG2 ILE 16 2HG2 ILE 16 2.816 5.929 -4.690
101 3HG2 ILE 16 3HG2 ILE 16 2.749 7.588 -4.085
102 1HD1 ILE 16 1HD1 ILE 16 4.051 9.436 -3.616
103 2HD1 ILE 16 2HD1 ILE 16 4.839 8.946 -2.103
104 3HD1 ILE 16 3HD1 ILE 16 5.691 9.962 -3.265
105 H ARG 17 H ARG 17 5.313 3.880 -3.129
106 HA ARG 17 HA ARG 17 2.793 2.555 -3.168
107 1HB ARG 17 1HB ARG 17 3.980 0.528 -3.683
108 2HB ARG 17 2HB ARG 17 4.541 1.871 -4.634
109 1HG ARG 17 1HG ARG 17 6.458 0.732 -4.165
110 2HG ARG 17 2HG ARG 17 6.515 2.025 -2.969
111 1HD ARG 17 1HD ARG 17 5.620 0.416 -1.261
112 2HD ARG 17 2HD ARG 17 5.536 -0.829 -2.513
113 HE ARG 17 HE ARG 17 8.085 0.474 -1.647
114 1HH1 ARG 17 1HH1 ARG 17 6.256 -2.557 -2.092
115 2HH1 ARG 17 2HH1 ARG 17 7.517 -3.540 -1.425
116 1HH2 ARG 17 1HH2 ARG 17 9.746 -0.804 -1.027
117 2HH2 ARG 17 2HH2 ARG 17 9.636 -2.522 -0.869
118 H PHE 18 H PHE 18 4.924 3.104 -0.491
119 HA PHE 18 HA PHE 18 3.862 0.944 1.119
120 1HB PHE 18 1HB PHE 18 6.059 2.114 1.552
121 2HB PHE 18 2HB PHE 18 5.180 3.571 1.957
122 HD1 PHE 18 HD1 PHE 18 5.202 3.982 4.289
123 HD2 PHE 18 HD2 PHE 18 4.835 -0.073 2.867
124 HE1 PHE 18 HE1 PHE 18 4.950 3.180 6.616
125 HE2 PHE 18 HE2 PHE 18 4.591 -0.874 5.201
126 HZ PHE 18 HZ PHE 18 4.625 0.734 7.065
127 H TYR 19 H TYR 19 3.086 4.357 0.526
128 HA TYR 19 HA TYR 19 1.060 4.585 2.581
129 1HB TYR 19 1HB TYR 19 2.518 6.377 1.224
130 2HB TYR 19 2HB TYR 19 1.139 6.379 0.153
131 HD1 TYR 19 HD1 TYR 19 -1.222 6.686 1.443
132 HD2 TYR 19 HD2 TYR 19 2.636 7.832 2.995
133 HE1 TYR 19 HE1 TYR 19 -2.324 8.235 3.060
134 HE2 TYR 19 HE2 TYR 19 1.574 9.421 4.522
135 HH TYR 19 HH TYR 19 -0.465 10.494 5.042
136 H ASN 20 H ASN 20 1.049 4.092 -0.942
137 HA ASN 20 HA ASN 20 -1.710 4.084 -1.410
138 1HB ASN 20 1HB ASN 20 0.098 4.125 -3.161
139 2HB ASN 20 2HB ASN 20 0.417 2.421 -2.814
140 1HD2 ASN 20 2HD2 ASN 20 -0.307 1.417 -4.681
141 2HD2 ASN 20 1HD2 ASN 20 -1.859 1.716 -5.430
142 H ASP 21 H ASP 21 0.311 1.473 -0.103
143 HA ASP 21 HA ASP 21 -1.459 -0.694 -0.606
144 1HB ASP 21 1HB ASP 21 0.852 -1.039 0.141
145 2HB ASP 21 2HB ASP 21 0.460 -0.334 1.719
146 H LEU 22 H LEU 22 -1.462 1.812 1.911
147 HA LEU 22 HA LEU 22 -3.428 0.554 3.605
148 1HB LEU 22 1HB LEU 22 -2.751 3.497 3.218
149 2HB LEU 22 2HB LEU 22 -3.770 2.869 4.502
150 HG LEU 22 HG LEU 22 -0.847 2.070 4.129
151 1HD1 LEU 22 1HD1 LEU 22 -2.059 4.218 5.917
152 2HD1 LEU 22 2HD1 LEU 22 -0.958 4.472 4.549
153 3HD1 LEU 22 3HD1 LEU 22 -0.387 3.637 6.001
154 1HD2 LEU 22 1HD2 LEU 22 -2.182 0.470 5.449
155 2HD2 LEU 22 2HD2 LEU 22 -2.743 1.785 6.507
156 3HD2 LEU 22 3HD2 LEU 22 -1.026 1.329 6.476
157 H GLN 23 H GLN 23 -3.592 2.903 0.907
158 HA GLN 23 HA GLN 23 -6.479 3.120 0.994
159 1HB GLN 23 1HB GLN 23 -4.470 3.783 -1.214
160 2HB GLN 23 2HB GLN 23 -6.206 3.985 -1.389
161 1HG GLN 23 1HG GLN 23 -5.561 6.099 -0.775
162 2HG GLN 23 2HG GLN 23 -6.121 5.437 0.749
163 1HE2 GLN 23 2HE2 GLN 23 -4.548 5.186 2.485
164 2HE2 GLN 23 1HE2 GLN 23 -2.910 5.730 2.309
165 H GLN 24 H GLN 24 -4.240 1.025 -0.771
166 HA GLN 24 HA GLN 24 -6.040 -0.260 -2.503
167 1HB GLN 24 1HB GLN 24 -3.533 -0.251 -2.560
168 2HB GLN 24 2HB GLN 24 -3.532 -1.357 -1.202
169 1HG GLN 24 1HG GLN 24 -3.826 -3.142 -2.506
170 2HG GLN 24 2HG GLN 24 -5.209 -2.435 -3.329
171 1HE2 GLN 24 2HE2 GLN 24 -4.527 -0.602 -4.982
172 2HE2 GLN 24 1HE2 GLN 24 -3.141 -0.950 -5.991
173 H TYR 25 H TYR 25 -5.144 -0.904 0.839
174 HA TYR 25 HA TYR 25 -6.700 -3.360 1.091
175 1HB TYR 25 1HB TYR 25 -4.588 -2.573 2.377
176 2HB TYR 25 2HB TYR 25 -5.654 -1.516 3.294
177 HD1 TYR 25 HD1 TYR 25 -6.451 -2.389 5.351
178 HD2 TYR 25 HD2 TYR 25 -5.281 -5.093 2.210
179 HE1 TYR 25 HE1 TYR 25 -6.628 -4.285 6.910
180 HE2 TYR 25 HE2 TYR 25 -5.461 -7.010 3.764
181 HH TYR 25 HH TYR 25 -5.934 -7.681 5.973
182 H LEU 26 H LEU 26 -7.764 -0.240 0.727
183 HA LEU 26 HA LEU 26 -10.246 -0.814 2.271
184 1HB LEU 26 1HB LEU 26 -8.978 1.819 1.485
185 2HB LEU 26 2HB LEU 26 -10.582 1.698 2.196
186 HG LEU 26 HG LEU 26 -8.124 0.581 3.613
187 1HD1 LEU 26 1HD1 LEU 26 -9.219 3.410 3.789
188 2HD1 LEU 26 2HD1 LEU 26 -7.645 2.914 3.155
189 3HD1 LEU 26 3HD1 LEU 26 -7.994 2.685 4.865
190 1HD2 LEU 26 1HD2 LEU 26 -9.530 0.865 5.615
191 2HD2 LEU 26 2HD2 LEU 26 -10.331 -0.167 4.436
192 3HD2 LEU 26 3HD2 LEU 26 -10.851 1.513 4.620
193 H ASN 27 H ASN 27 -8.880 -0.200 -0.709
194 HA ASN 27 HA ASN 27 -11.411 -0.070 -2.104
195 1HB ASN 27 1HB ASN 27 -8.515 0.524 -2.661
196 2HB ASN 27 2HB ASN 27 -9.408 -0.060 -4.020
197 1HD2 ASN 27 2HD2 ASN 27 -8.414 2.749 -2.824
198 2HD2 ASN 27 1HD2 ASN 27 -9.761 3.794 -3.214
199 H VAL 28 H VAL 28 -9.800 -2.617 -1.039
200 HA VAL 28 HA VAL 28 -11.010 -4.324 -3.145
201 HB VAL 28 HB VAL 28 -8.315 -4.875 -1.824
202 1HG1 VAL 28 1HG1 VAL 28 -9.468 -6.951 -2.611
203 2HG1 VAL 28 2HG1 VAL 28 -9.818 -6.203 -4.169
204 3HG1 VAL 28 3HG1 VAL 28 -8.158 -6.599 -3.727
205 1HG2 VAL 28 1HG2 VAL 28 -8.873 -3.965 -4.692
206 2HG2 VAL 28 2HG2 VAL 28 -8.086 -2.976 -3.447
207 3HG2 VAL 28 3HG2 VAL 28 -7.290 -4.427 -4.043
208 H VAL 29 H VAL 29 -10.586 -3.567 0.133
209 HA VAL 29 HA VAL 29 -11.722 -6.147 1.019
210 HB VAL 29 HB VAL 29 -10.843 -3.720 2.605
211 1HG1 VAL 29 1HG1 VAL 29 -12.566 -5.108 3.801
212 2HG1 VAL 29 2HG1 VAL 29 -11.557 -6.533 3.566
213 3HG1 VAL 29 3HG1 VAL 29 -10.989 -5.192 4.580
214 1HG2 VAL 29 1HG2 VAL 29 -8.945 -4.904 1.522
215 2HG2 VAL 29 2HG2 VAL 29 -8.918 -5.091 3.272
216 3HG2 VAL 29 3HG2 VAL 29 -9.475 -6.428 2.265
217 H THR 30 H THR 30 -12.585 -2.752 1.637
218 HA THR 30 HA THR 30 -15.316 -3.394 1.987
219 HB THR 30 HB THR 30 -15.261 -0.700 1.169
220 HG1 THR 30 HG1 THR 30 -13.045 -0.539 1.493
221 1HG2 THR 30 1HG2 THR 30 -15.270 -1.649 4.029
222 2HG2 THR 30 2HG2 THR 30 -16.671 -1.778 2.943
223 3HG2 THR 30 3HG2 THR 30 -15.999 -0.186 3.338
224 H ARG 31 H ARG 31 -13.588 -2.533 -0.979
225 HA ARG 31 HA ARG 31 -15.885 -2.028 -2.550
226 1HB ARG 31 1HB ARG 31 -13.448 -1.580 -3.107
227 2HB ARG 31 2HB ARG 31 -13.320 -3.295 -3.571
228 1HG ARG 31 1HG ARG 31 -15.059 -2.938 -5.306
229 2HG ARG 31 2HG ARG 31 -15.230 -1.247 -4.767
230 1HD ARG 31 1HD ARG 31 -12.877 -0.833 -5.379
231 2HD ARG 31 2HD ARG 31 -12.752 -2.495 -5.958
232 HE ARG 31 HE ARG 31 -14.976 -1.025 -7.131
233 1HH1 ARG 31 1HH1 ARG 31 -11.510 -1.693 -7.501
234 2HH1 ARG 31 2HH1 ARG 31 -11.493 -1.400 -9.203
235 1HH2 ARG 31 1HH2 ARG 31 -15.009 -0.693 -9.269
236 2HH2 ARG 31 2HH2 ARG 31 -13.604 -0.862 -10.296
237 H HIS 32 H HIS 32 -14.702 -4.979 -1.319
238 HA HIS 32 HA HIS 32 -16.615 -6.595 -2.922
239 1HB HIS 32 1HB HIS 32 -13.919 -7.195 -1.657
240 2HB HIS 32 2HB HIS 32 -15.039 -8.466 -2.079
241 HD1 HIS 32 HD1 HIS 32 -12.428 -8.705 -3.487
242 HD2 HIS 32 HD2 HIS 32 -15.679 -6.450 -4.958
243 HE1 HIS 32 HE1 HIS 32 -12.237 -8.734 -6.037
244 H ARG 33 H ARG 33 -16.918 -4.945 -0.217
245 HA ARG 33 HA ARG 33 -18.318 -7.176 1.171
246 1HB ARG 33 1HB ARG 33 -16.151 -6.894 2.268
247 2HB ARG 33 2HB ARG 33 -16.501 -5.214 2.608
248 1HG ARG 33 1HG ARG 33 -18.448 -7.335 3.565
249 2HG ARG 33 2HG ARG 33 -16.885 -7.209 4.366
250 1HD ARG 33 1HD ARG 33 -17.291 -4.776 4.746
251 2HD ARG 33 2HD ARG 33 -18.904 -4.939 4.089
252 HE ARG 33 HE ARG 33 -17.798 -6.001 6.618
253 1HH1 ARG 33 1HH1 ARG 33 -20.673 -5.658 4.550
254 2HH1 ARG 33 2HH1 ARG 33 -21.770 -5.506 5.888
255 1HH2 ARG 33 1HH2 ARG 33 -19.315 -6.183 8.343
256 2HH2 ARG 33 2HH2 ARG 33 -21.017 -6.131 8.052
257 H TYR 34 H TYR 34 -18.135 -3.665 0.475
258 HA TYR 34 HA TYR 34 -20.551 -3.103 1.977
259 1HB TYR 34 1HB TYR 34 -18.626 -1.535 1.656
260 2HB TYR 34 2HB TYR 34 -19.013 -1.438 -0.046
261 HD1 TYR 34 HD1 TYR 34 -20.597 0.195 -0.785
262 HD2 TYR 34 HD2 TYR 34 -20.426 -0.812 3.388
263 HE1 TYR 34 HE1 TYR 34 -22.001 2.159 -0.269
264 HE2 TYR 34 HE2 TYR 34 -21.811 1.170 3.931
265 HH TYR 34 HH TYR 34 -23.646 2.869 1.948
266 1HN NH2 35 1H NH2 35 -21.268 -5.228 0.496
267 2HN NH2 35 2H NH2 35 -22.082 -4.812 -1.008
268 2HN ZAB 10 H AZO 10 16.073 -0.829 1.489
269 2HA ZAB 10 2HA AZO 10 15.601 0.813 -0.123
270 3HA ZAB 10 3HA AZO 10 13.997 0.112 -0.400
271 HG2 ZAB 10 HG2 AZO 10 12.142 1.060 0.613
272 HD2 ZAB 10 HD2 AZO 10 11.163 2.904 1.995
273 HE ZAB 10 HE AZO 10 12.601 4.177 3.549
274 HG1 ZAB 10 HG1 AZO 10 16.017 1.910 2.220
275 HJ2 ZAB 10 HJ2 AZO 10 13.750 7.025 4.407
276 HK2 ZAB 10 HK2 AZO 10 13.416 8.878 2.795
277 HL ZAB 10 HL AZO 10 14.574 8.858 0.609
278 HJ1 ZAB 10 HJ1 AZO 10 16.490 5.131 1.674
279 2HM ZAB 10 2HM AZO 10 16.997 7.871 -0.366
280 3HM ZAB 10 3HM AZO 10 17.005 6.111 -0.388
Start of MODEL 10
1 1H GLY 1 H GLY 1 -4.265 -9.185 -6.635
2 1HA GLY 1 1HA GLY 1 -6.156 -10.698 -6.949
3 2HA GLY 1 2HA GLY 1 -5.026 -11.852 -7.678
4 HA PRO 2 HA PRO 2 -5.264 -13.137 -3.287
5 1HB PRO 2 1HB PRO 2 -4.173 -15.662 -3.665
6 2HB PRO 2 2HB PRO 2 -5.896 -15.264 -3.883
7 1HG PRO 2 1HG PRO 2 -3.746 -15.518 -5.974
8 2HG PRO 2 2HG PRO 2 -5.446 -16.089 -6.026
9 1HD PRO 2 1HD PRO 2 -4.617 -13.793 -7.234
10 2HD PRO 2 2HD PRO 2 -6.252 -13.945 -6.519
11 H SER 3 H SER 3 -3.761 -11.845 -2.265
12 HA SER 3 HA SER 3 -1.028 -12.746 -2.140
13 1HB SER 3 1HB SER 3 -1.198 -11.204 -4.225
14 2HB SER 3 2HB SER 3 -1.528 -9.900 -3.068
15 HG SER 3 HG SER 3 0.593 -9.803 -3.056
16 H GLN 4 H GLN 4 0.183 -11.263 -0.700
17 HA GLN 4 HA GLN 4 -1.286 -9.828 1.367
18 1HB GLN 4 1HB GLN 4 0.133 -11.123 3.065
19 2HB GLN 4 2HB GLN 4 -1.292 -11.933 2.442
20 1HG GLN 4 1HG GLN 4 1.554 -12.454 1.453
21 2HG GLN 4 2HG GLN 4 0.753 -13.382 2.715
22 1HE2 GLN 4 2HE2 GLN 4 1.686 -14.027 -0.267
23 2HE2 GLN 4 1HE2 GLN 4 0.247 -14.735 -0.960
24 HA PRO 5 HA PRO 5 2.358 -7.445 0.472
25 1HB PRO 5 1HB PRO 5 2.607 -5.861 2.654
26 2HB PRO 5 2HB PRO 5 1.256 -5.680 1.493
27 1HG PRO 5 1HG PRO 5 1.221 -7.140 4.153
28 2HG PRO 5 2HG PRO 5 0.026 -5.963 3.516
29 1HD PRO 5 1HD PRO 5 -0.317 -8.671 3.313
30 2HD PRO 5 2HD PRO 5 -0.871 -7.555 2.031
31 H THR 6 H THR 6 4.621 -7.560 0.844
32 HA THR 6 HA THR 6 5.572 -9.080 3.220
33 HB THR 6 HB THR 6 6.567 -9.545 0.396
34 HG1 THR 6 HG1 THR 6 5.265 -11.296 0.195
35 1HG2 THR 6 1HG2 THR 6 6.739 -11.274 2.891
36 2HG2 THR 6 2HG2 THR 6 8.065 -10.343 2.153
37 3HG2 THR 6 3HG2 THR 6 7.369 -11.691 1.273
38 H TYR 7 H TYR 7 7.741 -8.610 3.776
39 HA TYR 7 HA TYR 7 9.567 -7.451 4.103
40 1HB TYR 7 1HB TYR 7 9.632 -6.372 1.302
41 2HB TYR 7 2HB TYR 7 10.932 -6.806 2.388
42 HD1 TYR 7 HD1 TYR 7 8.938 -7.843 -0.386
43 HD2 TYR 7 HD2 TYR 7 11.254 -9.328 2.924
44 HE1 TYR 7 HE1 TYR 7 9.265 -9.982 -1.584
45 HE2 TYR 7 HE2 TYR 7 11.594 -11.478 1.736
46 HH TYR 7 HH TYR 7 11.031 -12.727 -0.126
47 HA PRO 8 HA PRO 8 7.184 -3.522 4.692
48 1HB PRO 8 1HB PRO 8 7.187 -3.398 7.399
49 2HB PRO 8 2HB PRO 8 6.113 -4.547 6.548
50 1HG PRO 8 1HG PRO 8 8.847 -5.106 7.757
51 2HG PRO 8 2HG PRO 8 7.324 -6.017 8.017
52 1HD PRO 8 1HD PRO 8 9.206 -6.766 6.163
53 2HD PRO 8 2HD PRO 8 7.449 -7.012 5.901
54 H GLY 9 H GLY 9 8.019 -1.523 6.049
55 1HA GLY 9 1HA GLY 9 9.625 0.004 6.496
56 2HA GLY 9 2HA GLY 9 10.641 -1.340 7.036
57 HA PRO 11 HA PRO 11 13.892 7.426 -4.364
58 1HB PRO 11 1HB PRO 11 12.498 6.141 -6.333
59 2HB PRO 11 2HB PRO 11 14.262 5.920 -6.127
60 1HG PRO 11 1HG PRO 11 12.032 4.132 -5.104
61 2HG PRO 11 2HG PRO 11 13.508 3.652 -6.002
62 1HD PRO 11 1HD PRO 11 13.317 3.528 -3.267
63 2HD PRO 11 2HD PRO 11 14.855 3.935 -4.065
64 H VAL 12 H VAL 12 11.810 8.512 -5.152
65 HA VAL 12 HA VAL 12 9.939 8.753 -3.123
66 HB VAL 12 HB VAL 12 9.117 9.234 -6.005
67 1HG1 VAL 12 1HG1 VAL 12 8.054 11.221 -5.050
68 2HG1 VAL 12 2HG1 VAL 12 7.586 9.807 -4.091
69 3HG1 VAL 12 3HG1 VAL 12 8.821 10.918 -3.476
70 1HG2 VAL 12 1HG2 VAL 12 11.172 10.892 -4.490
71 2HG2 VAL 12 2HG2 VAL 12 11.395 10.074 -6.057
72 3HG2 VAL 12 3HG2 VAL 12 10.298 11.444 -5.934
73 H GLU 13 H GLU 13 9.733 6.581 -5.994
74 HA GLU 13 HA GLU 13 7.120 5.736 -5.506
75 1HB GLU 13 1HB GLU 13 7.479 3.922 -6.941
76 2HB GLU 13 2HB GLU 13 8.289 5.359 -7.564
77 1HG GLU 13 1HG GLU 13 10.466 4.489 -6.860
78 2HG GLU 13 2HG GLU 13 9.697 3.066 -6.130
79 H ASP 14 H ASP 14 10.025 4.675 -3.806
80 HA ASP 14 HA ASP 14 8.938 2.264 -2.663
81 1HB ASP 14 1HB ASP 14 11.317 2.610 -2.779
82 2HB ASP 14 2HB ASP 14 11.206 4.123 -1.870
83 H LEU 15 H LEU 15 8.627 5.647 -1.941
84 HA LEU 15 HA LEU 15 7.455 5.200 0.715
85 1HB LEU 15 1HB LEU 15 9.270 6.845 0.327
86 2HB LEU 15 2HB LEU 15 8.253 7.701 -0.833
87 HG LEU 15 HG LEU 15 6.672 8.274 0.894
88 1HD1 LEU 15 1HD1 LEU 15 7.245 7.864 3.335
89 2HD1 LEU 15 2HD1 LEU 15 8.526 6.749 2.796
90 3HD1 LEU 15 3HD1 LEU 15 6.813 6.397 2.461
91 1HD2 LEU 15 1HD2 LEU 15 9.560 8.871 1.686
92 2HD2 LEU 15 2HD2 LEU 15 8.148 9.811 2.205
93 3HD2 LEU 15 3HD2 LEU 15 8.601 9.750 0.484
94 H ILE 16 H ILE 16 6.588 5.902 -2.605
95 HA ILE 16 HA ILE 16 3.894 6.887 -2.078
96 HB ILE 16 HB ILE 16 5.308 5.778 -4.544
97 1HG1 ILE 16 1HG1 ILE 16 4.247 8.553 -3.927
98 2HG1 ILE 16 2HG1 ILE 16 5.890 8.094 -3.591
99 1HG2 ILE 16 1HG2 ILE 16 3.415 6.464 -5.951
100 2HG2 ILE 16 2HG2 ILE 16 2.914 5.225 -4.825
101 3HG2 ILE 16 3HG2 ILE 16 2.489 6.922 -4.511
102 1HD1 ILE 16 1HD1 ILE 16 5.849 9.340 -5.658
103 2HD1 ILE 16 2HD1 ILE 16 6.263 7.663 -6.042
104 3HD1 ILE 16 3HD1 ILE 16 4.623 8.276 -6.344
105 H ARG 17 H ARG 17 5.282 3.720 -3.152
106 HA ARG 17 HA ARG 17 2.796 2.361 -3.137
107 1HB ARG 17 1HB ARG 17 4.069 0.321 -3.258
108 2HB ARG 17 2HB ARG 17 4.805 1.546 -4.289
109 1HG ARG 17 1HG ARG 17 6.450 1.995 -2.342
110 2HG ARG 17 2HG ARG 17 5.805 0.548 -1.584
111 1HD ARG 17 1HD ARG 17 7.008 0.610 -4.386
112 2HD ARG 17 2HD ARG 17 7.916 0.216 -2.926
113 HE ARG 17 HE ARG 17 5.525 -1.319 -3.902
114 1HH1 ARG 17 1HH1 ARG 17 8.726 -1.405 -2.361
115 2HH1 ARG 17 2HH1 ARG 17 8.712 -3.123 -2.195
116 1HH2 ARG 17 1HH2 ARG 17 5.387 -3.413 -3.469
117 2HH2 ARG 17 2HH2 ARG 17 6.648 -4.299 -2.636
118 H PHE 18 H PHE 18 5.133 2.870 -0.504
119 HA PHE 18 HA PHE 18 3.947 1.161 1.383
120 1HB PHE 18 1HB PHE 18 6.152 2.160 1.653
121 2HB PHE 18 2HB PHE 18 5.466 3.781 1.671
122 HD1 PHE 18 HD1 PHE 18 6.299 4.565 3.742
123 HD2 PHE 18 HD2 PHE 18 4.154 0.818 3.618
124 HE1 PHE 18 HE1 PHE 18 6.275 4.485 6.211
125 HE2 PHE 18 HE2 PHE 18 4.091 0.791 6.081
126 HZ PHE 18 HZ PHE 18 5.199 2.576 7.386
127 H TYR 19 H TYR 19 3.046 4.475 0.382
128 HA TYR 19 HA TYR 19 1.074 4.668 2.524
129 1HB TYR 19 1HB TYR 19 2.402 6.623 1.275
130 2HB TYR 19 2HB TYR 19 1.124 6.494 0.098
131 HD1 TYR 19 HD1 TYR 19 -0.538 8.194 0.417
132 HD2 TYR 19 HD2 TYR 19 1.252 6.325 3.875
133 HE1 TYR 19 HE1 TYR 19 -2.155 9.356 1.884
134 HE2 TYR 19 HE2 TYR 19 -0.394 7.406 5.330
135 HH TYR 19 HH TYR 19 -2.889 9.676 4.146
136 H ASN 20 H ASN 20 1.084 4.238 -0.956
137 HA ASN 20 HA ASN 20 -1.719 4.090 -1.372
138 1HB ASN 20 1HB ASN 20 0.667 3.075 -2.933
139 2HB ASN 20 2HB ASN 20 -0.947 2.562 -3.396
140 1HD2 ASN 20 2HD2 ASN 20 1.079 5.463 -2.905
141 2HD2 ASN 20 1HD2 ASN 20 0.116 6.512 -3.920
142 H ASP 21 H ASP 21 0.476 1.605 -0.138
143 HA ASP 21 HA ASP 21 -1.046 -0.725 -0.536
144 1HB ASP 21 1HB ASP 21 1.155 -0.965 0.251
145 2HB ASP 21 2HB ASP 21 0.940 0.221 1.538
146 H LEU 22 H LEU 22 -1.340 1.801 1.917
147 HA LEU 22 HA LEU 22 -3.245 0.498 3.616
148 1HB LEU 22 1HB LEU 22 -2.727 3.468 3.122
149 2HB LEU 22 2HB LEU 22 -3.668 2.837 4.448
150 HG LEU 22 HG LEU 22 -0.726 2.170 4.023
151 1HD1 LEU 22 1HD1 LEU 22 -0.304 3.830 5.824
152 2HD1 LEU 22 2HD1 LEU 22 -2.017 4.293 5.784
153 3HD1 LEU 22 3HD1 LEU 22 -0.983 4.572 4.367
154 1HD2 LEU 22 1HD2 LEU 22 -1.875 0.513 5.415
155 2HD2 LEU 22 2HD2 LEU 22 -2.571 1.801 6.426
156 3HD2 LEU 22 3HD2 LEU 22 -0.818 1.505 6.417
157 H GLN 23 H GLN 23 -3.470 2.774 0.924
158 HA GLN 23 HA GLN 23 -6.325 3.106 0.931
159 1HB GLN 23 1HB GLN 23 -4.619 3.475 -1.530
160 2HB GLN 23 2HB GLN 23 -6.023 4.392 -1.003
161 1HG GLN 23 1HG GLN 23 -3.228 4.533 0.197
162 2HG GLN 23 2HG GLN 23 -3.942 5.665 -0.934
163 1HE2 GLN 23 2HE2 GLN 23 -3.423 7.334 0.594
164 2HE2 GLN 23 1HE2 GLN 23 -4.487 7.600 1.956
165 H GLN 24 H GLN 24 -4.103 0.952 -0.805
166 HA GLN 24 HA GLN 24 -5.955 -0.218 -2.584
167 1HB GLN 24 1HB GLN 24 -3.497 -0.310 -2.769
168 2HB GLN 24 2HB GLN 24 -3.432 -1.395 -1.383
169 1HG GLN 24 1HG GLN 24 -4.485 -3.168 -2.568
170 2HG GLN 24 2HG GLN 24 -5.109 -2.080 -3.811
171 1HE2 GLN 24 2HE2 GLN 24 -4.180 -2.861 -5.696
172 2HE2 GLN 24 1HE2 GLN 24 -2.461 -3.036 -5.931
173 H TYR 25 H TYR 25 -4.956 -1.056 0.686
174 HA TYR 25 HA TYR 25 -6.456 -3.452 0.963
175 1HB TYR 25 1HB TYR 25 -4.757 -2.634 2.608
176 2HB TYR 25 2HB TYR 25 -5.910 -1.427 3.168
177 HD1 TYR 25 HD1 TYR 25 -7.697 -2.036 4.702
178 HD2 TYR 25 HD2 TYR 25 -5.328 -5.091 2.774
179 HE1 TYR 25 HE1 TYR 25 -8.715 -3.755 6.167
180 HE2 TYR 25 HE2 TYR 25 -6.346 -6.797 4.215
181 HH TYR 25 HH TYR 25 -7.398 -6.907 6.472
182 H LEU 26 H LEU 26 -7.326 -0.132 1.834
183 HA LEU 26 HA LEU 26 -10.060 -0.600 2.376
184 1HB LEU 26 1HB LEU 26 -8.612 1.947 1.496
185 2HB LEU 26 2HB LEU 26 -10.218 1.936 2.203
186 HG LEU 26 HG LEU 26 -7.801 0.853 3.688
187 1HD1 LEU 26 1HD1 LEU 26 -8.926 3.676 3.744
188 2HD1 LEU 26 2HD1 LEU 26 -7.334 3.190 3.123
189 3HD1 LEU 26 3HD1 LEU 26 -7.691 3.035 4.840
190 1HD2 LEU 26 1HD2 LEU 26 -9.942 0.133 4.600
191 2HD2 LEU 26 2HD2 LEU 26 -10.538 1.812 4.612
192 3HD2 LEU 26 3HD2 LEU 26 -9.182 1.332 5.667
193 H ASN 27 H ASN 27 -8.643 -0.708 -0.627
194 HA ASN 27 HA ASN 27 -11.181 0.049 -1.970
195 1HB ASN 27 1HB ASN 27 -8.293 0.419 -2.627
196 2HB ASN 27 2HB ASN 27 -9.155 -0.327 -3.911
197 1HD2 ASN 27 2HD2 ASN 27 -8.734 2.615 -2.113
198 2HD2 ASN 27 1HD2 ASN 27 -9.752 3.638 -3.127
199 H VAL 28 H VAL 28 -9.542 -2.676 -1.056
200 HA VAL 28 HA VAL 28 -10.904 -4.312 -3.165
201 HB VAL 28 HB VAL 28 -8.302 -4.558 -1.646
202 1HG1 VAL 28 1HG1 VAL 28 -9.164 -6.822 -1.625
203 2HG1 VAL 28 2HG1 VAL 28 -9.553 -6.730 -3.359
204 3HG1 VAL 28 3HG1 VAL 28 -7.864 -6.703 -2.807
205 1HG2 VAL 28 1HG2 VAL 28 -8.195 -3.188 -3.685
206 2HG2 VAL 28 2HG2 VAL 28 -7.285 -4.683 -3.881
207 3HG2 VAL 28 3HG2 VAL 28 -8.887 -4.534 -4.627
208 H VAL 29 H VAL 29 -10.781 -3.540 0.231
209 HA VAL 29 HA VAL 29 -12.120 -6.107 0.905
210 HB VAL 29 HB VAL 29 -10.596 -4.057 2.408
211 1HG1 VAL 29 1HG1 VAL 29 -12.837 -5.604 3.809
212 2HG1 VAL 29 2HG1 VAL 29 -11.482 -4.778 4.610
213 3HG1 VAL 29 3HG1 VAL 29 -12.670 -3.830 3.719
214 1HG2 VAL 29 1HG2 VAL 29 -11.057 -7.037 2.777
215 2HG2 VAL 29 2HG2 VAL 29 -9.819 -6.354 1.735
216 3HG2 VAL 29 3HG2 VAL 29 -9.743 -6.069 3.485
217 H THR 30 H THR 30 -13.004 -2.678 1.327
218 HA THR 30 HA THR 30 -15.681 -3.267 2.058
219 HB THR 30 HB THR 30 -15.889 -0.804 1.367
220 HG1 THR 30 HG1 THR 30 -13.829 0.197 1.020
221 1HG2 THR 30 1HG2 THR 30 -14.616 0.020 3.309
222 2HG2 THR 30 2HG2 THR 30 -13.667 -1.478 3.367
223 3HG2 THR 30 3HG2 THR 30 -15.405 -1.509 3.732
224 H ARG 31 H ARG 31 -14.084 -2.637 -1.034
225 HA ARG 31 HA ARG 31 -16.288 -2.273 -2.656
226 1HB ARG 31 1HB ARG 31 -13.823 -2.069 -3.240
227 2HB ARG 31 2HB ARG 31 -13.803 -3.822 -3.500
228 1HG ARG 31 1HG ARG 31 -15.594 -3.493 -5.273
229 2HG ARG 31 2HG ARG 31 -15.469 -1.746 -4.992
230 1HD ARG 31 1HD ARG 31 -13.007 -1.939 -5.573
231 2HD ARG 31 2HD ARG 31 -13.311 -3.635 -6.011
232 HE ARG 31 HE ARG 31 -15.055 -1.628 -7.254
233 1HH1 ARG 31 1HH1 ARG 31 -12.040 -3.476 -7.714
234 2HH1 ARG 31 2HH1 ARG 31 -12.180 -3.433 -9.453
235 1HH2 ARG 31 1HH2 ARG 31 -15.022 -1.312 -9.466
236 2HH2 ARG 31 2HH2 ARG 31 -13.701 -1.800 -10.423
237 H HIS 32 H HIS 32 -15.295 -5.222 -1.264
238 HA HIS 32 HA HIS 32 -16.916 -6.942 -3.031
239 1HB HIS 32 1HB HIS 32 -15.140 -7.368 -0.614
240 2HB HIS 32 2HB HIS 32 -16.356 -8.578 -0.988
241 HD1 HIS 32 HD1 HIS 32 -15.600 -10.359 -2.711
242 HD2 HIS 32 HD2 HIS 32 -13.699 -6.619 -3.081
243 HE1 HIS 32 HE1 HIS 32 -13.933 -10.605 -4.609
244 H ARG 33 H ARG 33 -17.092 -5.722 0.338
245 HA ARG 33 HA ARG 33 -19.601 -6.976 0.884
246 1HB ARG 33 1HB ARG 33 -17.967 -6.197 2.618
247 2HB ARG 33 2HB ARG 33 -18.369 -4.523 2.227
248 1HG ARG 33 1HG ARG 33 -19.590 -5.154 4.192
249 2HG ARG 33 2HG ARG 33 -20.757 -5.007 2.871
250 1HD ARG 33 1HD ARG 33 -20.806 -7.467 2.609
251 2HD ARG 33 2HD ARG 33 -19.506 -7.612 3.808
252 HE ARG 33 HE ARG 33 -22.078 -6.343 4.566
253 1HH1 ARG 33 1HH1 ARG 33 -20.121 -9.298 4.648
254 2HH1 ARG 33 2HH1 ARG 33 -20.814 -9.931 6.092
255 1HH2 ARG 33 1HH2 ARG 33 -23.171 -7.245 6.383
256 2HH2 ARG 33 2HH2 ARG 33 -22.613 -8.676 7.154
257 H TYR 34 H TYR 34 -18.857 -3.496 0.147
258 HA TYR 34 HA TYR 34 -21.675 -2.877 -0.096
259 1HB TYR 34 1HB TYR 34 -19.191 -1.316 -0.912
260 2HB TYR 34 2HB TYR 34 -20.833 -0.676 -0.891
261 HD1 TYR 34 HD1 TYR 34 -22.159 -0.699 1.303
262 HD2 TYR 34 HD2 TYR 34 -17.919 -1.395 1.116
263 HE1 TYR 34 HE1 TYR 34 -21.997 -0.246 3.714
264 HE2 TYR 34 HE2 TYR 34 -17.725 -0.941 3.554
265 HH TYR 34 HH TYR 34 -20.601 -0.362 5.573
266 1HN NH2 35 1H NH2 35 -22.541 -1.890 -2.115
267 2HN NH2 35 2H NH2 35 -22.300 -2.801 -3.575
268 2HN ZAB 10 H AZO 10 9.383 0.050 4.011
269 2HA ZAB 10 2HA AZO 10 11.072 -0.719 2.064
270 3HA ZAB 10 3HA AZO 10 10.421 0.924 2.141
271 HG2 ZAB 10 HG2 AZO 10 13.352 -1.049 2.115
272 HD2 ZAB 10 HD2 AZO 10 15.668 -0.204 2.438
273 HE ZAB 10 HE AZO 10 16.035 2.074 3.337
274 HG1 ZAB 10 HG1 AZO 10 11.765 2.646 3.641
275 HJ2 ZAB 10 HJ2 AZO 10 16.979 6.062 3.499
276 HK2 ZAB 10 HK2 AZO 10 17.935 6.817 1.343
277 HL ZAB 10 HL AZO 10 16.819 6.259 -0.787
278 HJ1 ZAB 10 HJ1 AZO 10 13.725 4.181 1.375
279 2HM ZAB 10 2HM AZO 10 15.166 4.076 -1.648
280 3HM ZAB 10 3HM AZO 10 13.587 4.246 -0.883
Start of MODEL 11
1 1H GLY 1 H GLY 1 10.548 -14.114 -11.412
2 1HA GLY 1 1HA GLY 1 9.660 -15.859 -9.185
3 2HA GLY 1 2HA GLY 1 11.332 -15.756 -9.786
4 HA PRO 2 HA PRO 2 10.385 -12.486 -6.500
5 1HB PRO 2 1HB PRO 2 11.548 -13.503 -4.251
6 2HB PRO 2 2HB PRO 2 9.884 -13.922 -4.754
7 1HG PRO 2 1HG PRO 2 12.429 -15.499 -5.249
8 2HG PRO 2 2HG PRO 2 10.871 -16.095 -4.596
9 1HD PRO 2 1HD PRO 2 11.537 -16.327 -7.236
10 2HD PRO 2 2HD PRO 2 9.853 -16.036 -6.719
11 H SER 3 H SER 3 11.878 -10.885 -5.909
12 HA SER 3 HA SER 3 14.717 -11.136 -5.866
13 1HB SER 3 1HB SER 3 13.422 -9.691 -8.227
14 2HB SER 3 2HB SER 3 15.132 -9.594 -7.780
15 HG SER 3 HG SER 3 14.477 -12.171 -7.938
16 H GLN 4 H GLN 4 15.516 -9.102 -4.946
17 HA GLN 4 HA GLN 4 15.327 -7.460 -3.395
18 1HB GLN 4 1HB GLN 4 13.670 -6.252 -5.634
19 2HB GLN 4 2HB GLN 4 14.431 -5.379 -4.300
20 1HG GLN 4 1HG GLN 4 16.662 -6.295 -5.092
21 2HG GLN 4 2HG GLN 4 15.817 -6.929 -6.521
22 1HE2 GLN 4 2HE2 GLN 4 15.699 -5.514 -8.292
23 2HE2 GLN 4 1HE2 GLN 4 15.664 -3.785 -8.141
24 HA PRO 5 HA PRO 5 11.094 -8.386 -1.791
25 1HB PRO 5 1HB PRO 5 11.710 -9.397 0.661
26 2HB PRO 5 2HB PRO 5 11.761 -10.373 -0.834
27 1HG PRO 5 1HG PRO 5 14.073 -9.095 0.630
28 2HG PRO 5 2HG PRO 5 13.973 -10.716 -0.119
29 1HD PRO 5 1HD PRO 5 15.109 -8.448 -1.301
30 2HD PRO 5 2HD PRO 5 14.511 -9.840 -2.218
31 H THR 6 H THR 6 9.989 -6.709 -0.901
32 HA THR 6 HA THR 6 11.377 -4.366 0.021
33 HB THR 6 HB THR 6 8.403 -5.066 0.091
34 HG1 THR 6 HG1 THR 6 8.391 -4.135 -1.960
35 1HG2 THR 6 1HG2 THR 6 8.899 -2.937 1.277
36 2HG2 THR 6 2HG2 THR 6 8.088 -2.635 -0.240
37 3HG2 THR 6 3HG2 THR 6 9.843 -2.366 -0.123
38 H TYR 7 H TYR 7 10.793 -3.291 2.166
39 HA TYR 7 HA TYR 7 10.215 -5.060 4.392
40 1HB TYR 7 1HB TYR 7 12.347 -4.231 5.530
41 2HB TYR 7 2HB TYR 7 12.582 -5.409 4.261
42 HD1 TYR 7 HD1 TYR 7 12.995 -1.826 5.180
43 HD2 TYR 7 HD2 TYR 7 13.649 -4.824 2.142
44 HE1 TYR 7 HE1 TYR 7 14.554 -0.305 4.026
45 HE2 TYR 7 HE2 TYR 7 15.125 -3.285 0.927
46 HH TYR 7 HH TYR 7 16.290 -1.348 1.078
47 HA PRO 8 HA PRO 8 8.398 -1.245 5.586
48 1HB PRO 8 1HB PRO 8 8.439 -1.283 8.335
49 2HB PRO 8 2HB PRO 8 7.431 -2.379 7.339
50 1HG PRO 8 1HG PRO 8 10.137 -2.948 8.575
51 2HG PRO 8 2HG PRO 8 8.648 -3.945 8.650
52 1HD PRO 8 1HD PRO 8 10.607 -4.439 6.838
53 2HD PRO 8 2HD PRO 8 8.884 -4.634 6.404
54 H GLY 9 H GLY 9 8.795 0.856 6.202
55 1HA GLY 9 1HA GLY 9 10.090 2.488 7.557
56 2HA GLY 9 2HA GLY 9 11.548 1.605 7.109
57 HA PRO 11 HA PRO 11 12.821 6.495 -5.960
58 1HB PRO 11 1HB PRO 11 11.397 4.308 -6.905
59 2HB PRO 11 2HB PRO 11 13.182 4.417 -6.910
60 1HG PRO 11 1HG PRO 11 11.358 3.058 -4.931
61 2HG PRO 11 2HG PRO 11 12.864 2.431 -5.649
62 1HD PRO 11 1HD PRO 11 12.813 3.525 -3.158
63 2HD PRO 11 2HD PRO 11 14.212 3.745 -4.254
64 H VAL 12 H VAL 12 10.839 7.254 -6.911
65 HA VAL 12 HA VAL 12 8.841 7.955 -5.016
66 HB VAL 12 HB VAL 12 8.836 8.122 -8.050
67 1HG1 VAL 12 1HG1 VAL 12 6.529 8.311 -7.155
68 2HG1 VAL 12 2HG1 VAL 12 7.066 9.587 -6.043
69 3HG1 VAL 12 3HG1 VAL 12 7.090 9.839 -7.803
70 1HG2 VAL 12 1HG2 VAL 12 9.507 10.476 -7.677
71 2HG2 VAL 12 2HG2 VAL 12 9.561 10.190 -5.925
72 3HG2 VAL 12 3HG2 VAL 12 10.702 9.380 -7.016
73 H GLU 13 H GLU 13 9.095 5.210 -7.300
74 HA GLU 13 HA GLU 13 6.373 4.422 -7.151
75 1HB GLU 13 1HB GLU 13 8.088 3.477 -8.723
76 2HB GLU 13 2HB GLU 13 8.786 2.569 -7.396
77 1HG GLU 13 1HG GLU 13 5.837 2.180 -7.689
78 2HG GLU 13 2HG GLU 13 6.702 1.797 -9.153
79 H ASP 14 H ASP 14 9.150 3.742 -4.990
80 HA ASP 14 HA ASP 14 7.729 2.034 -3.184
81 1HB ASP 14 1HB ASP 14 10.141 1.890 -3.286
82 2HB ASP 14 2HB ASP 14 10.309 3.608 -2.905
83 H LEU 15 H LEU 15 8.593 5.461 -3.063
84 HA LEU 15 HA LEU 15 7.594 6.025 -0.498
85 1HB LEU 15 1HB LEU 15 9.060 7.551 -1.726
86 2HB LEU 15 2HB LEU 15 7.844 7.742 -3.000
87 HG LEU 15 HG LEU 15 6.304 8.761 -1.400
88 1HD1 LEU 15 1HD1 LEU 15 7.176 9.584 0.815
89 2HD1 LEU 15 2HD1 LEU 15 8.644 8.616 0.547
90 3HD1 LEU 15 3HD1 LEU 15 7.079 7.825 0.749
91 1HD2 LEU 15 1HD2 LEU 15 7.447 10.934 -1.204
92 2HD2 LEU 15 2HD2 LEU 15 7.696 10.181 -2.791
93 3HD2 LEU 15 3HD2 LEU 15 8.996 10.141 -1.585
94 H ILE 16 H ILE 16 5.965 6.075 -3.677
95 HA ILE 16 HA ILE 16 3.410 6.918 -2.525
96 HB ILE 16 HB ILE 16 4.212 5.920 -5.284
97 1HG1 ILE 16 1HG1 ILE 16 5.195 8.080 -4.930
98 2HG1 ILE 16 2HG1 ILE 16 3.803 8.293 -5.966
99 1HG2 ILE 16 1HG2 ILE 16 1.871 5.392 -4.941
100 2HG2 ILE 16 2HG2 ILE 16 1.544 7.001 -4.313
101 3HG2 ILE 16 3HG2 ILE 16 1.979 6.787 -6.025
102 1HD1 ILE 16 1HD1 ILE 16 3.836 10.112 -4.443
103 2HD1 ILE 16 2HD1 ILE 16 2.530 9.062 -3.859
104 3HD1 ILE 16 3HD1 ILE 16 4.120 9.065 -3.051
105 H ARG 17 H ARG 17 4.814 3.768 -3.649
106 HA ARG 17 HA ARG 17 2.486 2.260 -3.159
107 1HB ARG 17 1HB ARG 17 4.410 1.450 -4.421
108 2HB ARG 17 2HB ARG 17 5.382 1.383 -2.936
109 1HG ARG 17 1HG ARG 17 3.805 -0.291 -2.012
110 2HG ARG 17 2HG ARG 17 2.816 -0.191 -3.470
111 1HD ARG 17 1HD ARG 17 5.780 -0.916 -3.512
112 2HD ARG 17 2HD ARG 17 4.522 -2.134 -3.320
113 HE ARG 17 HE ARG 17 5.275 -0.737 -5.763
114 1HH1 ARG 17 1HH1 ARG 17 2.608 -2.501 -4.162
115 2HH1 ARG 17 2HH1 ARG 17 1.839 -2.974 -5.615
116 1HH2 ARG 17 1HH2 ARG 17 4.394 -1.390 -7.635
117 2HH2 ARG 17 2HH2 ARG 17 2.995 -2.450 -7.707
118 H PHE 18 H PHE 18 5.115 3.154 -0.872
119 HA PHE 18 HA PHE 18 4.122 1.609 1.248
120 1HB PHE 18 1HB PHE 18 6.438 2.601 0.967
121 2HB PHE 18 2HB PHE 18 5.785 4.126 1.550
122 HD1 PHE 18 HD1 PHE 18 5.530 4.461 3.938
123 HD2 PHE 18 HD2 PHE 18 6.249 0.491 2.421
124 HE1 PHE 18 HE1 PHE 18 5.766 3.626 6.248
125 HE2 PHE 18 HE2 PHE 18 6.483 -0.342 4.739
126 HZ PHE 18 HZ PHE 18 6.238 1.229 6.660
127 H TYR 19 H TYR 19 2.392 3.987 -0.126
128 HA TYR 19 HA TYR 19 0.938 4.697 2.381
129 1HB TYR 19 1HB TYR 19 2.330 6.518 0.970
130 2HB TYR 19 2HB TYR 19 0.894 6.514 -0.004
131 HD1 TYR 19 HD1 TYR 19 -1.426 6.610 1.439
132 HD2 TYR 19 HD2 TYR 19 2.416 8.025 2.805
133 HE1 TYR 19 HE1 TYR 19 -2.538 7.973 3.164
134 HE2 TYR 19 HE2 TYR 19 1.308 9.373 4.543
135 HH TYR 19 HH TYR 19 -0.737 9.679 5.701
136 H ASN 20 H ASN 20 0.918 4.032 -1.080
137 HA ASN 20 HA ASN 20 -1.923 3.906 -1.454
138 1HB ASN 20 1HB ASN 20 0.489 2.979 -3.020
139 2HB ASN 20 2HB ASN 20 -1.106 2.398 -3.447
140 1HD2 ASN 20 2HD2 ASN 20 -1.460 3.396 -5.337
141 2HD2 ASN 20 1HD2 ASN 20 -1.617 5.123 -5.528
142 H ASP 21 H ASP 21 0.425 1.534 -0.189
143 HA ASP 21 HA ASP 21 -1.095 -0.833 -0.671
144 1HB ASP 21 1HB ASP 21 1.285 -0.756 -0.051
145 2HB ASP 21 2HB ASP 21 0.870 -0.190 1.559
146 H LEU 22 H LEU 22 -1.020 1.443 2.125
147 HA LEU 22 HA LEU 22 -3.052 0.199 3.646
148 1HB LEU 22 1HB LEU 22 -2.069 3.059 3.427
149 2HB LEU 22 2HB LEU 22 -3.445 2.679 4.456
150 HG LEU 22 HG LEU 22 -0.776 1.238 4.741
151 1HD1 LEU 22 1HD1 LEU 22 -0.454 3.668 5.083
152 2HD1 LEU 22 2HD1 LEU 22 -0.276 2.762 6.585
153 3HD1 LEU 22 3HD1 LEU 22 -1.775 3.677 6.269
154 1HD2 LEU 22 1HD2 LEU 22 -2.614 0.035 5.767
155 2HD2 LEU 22 2HD2 LEU 22 -3.212 1.506 6.549
156 3HD2 LEU 22 3HD2 LEU 22 -1.656 0.788 7.035
157 H GLN 23 H GLN 23 -3.261 2.461 0.931
158 HA GLN 23 HA GLN 23 -6.137 2.823 1.141
159 1HB GLN 23 1HB GLN 23 -4.293 3.177 -1.270
160 2HB GLN 23 2HB GLN 23 -6.011 3.523 -1.235
161 1HG GLN 23 1HG GLN 23 -5.549 5.195 0.613
162 2HG GLN 23 2HG GLN 23 -3.817 4.978 0.274
163 1HE2 GLN 23 2HE2 GLN 23 -3.132 6.857 -1.043
164 2HE2 GLN 23 1HE2 GLN 23 -4.243 7.590 -2.174
165 H GLN 24 H GLN 24 -3.992 0.474 -0.504
166 HA GLN 24 HA GLN 24 -5.880 -0.699 -2.217
167 1HB GLN 24 1HB GLN 24 -3.282 -0.974 -2.051
168 2HB GLN 24 2HB GLN 24 -3.654 -2.271 -0.915
169 1HG GLN 24 1HG GLN 24 -4.992 -3.401 -2.699
170 2HG GLN 24 2HG GLN 24 -4.569 -2.090 -3.813
171 1HE2 GLN 24 2HE2 GLN 24 -2.682 -2.407 -5.070
172 2HE2 GLN 24 1HE2 GLN 24 -1.441 -3.569 -4.656
173 H TYR 25 H TYR 25 -5.006 -1.400 1.119
174 HA TYR 25 HA TYR 25 -6.868 -3.546 1.573
175 1HB TYR 25 1HB TYR 25 -4.760 -2.940 2.870
176 2HB TYR 25 2HB TYR 25 -5.652 -1.612 3.595
177 HD1 TYR 25 HD1 TYR 25 -7.212 -2.022 5.432
178 HD2 TYR 25 HD2 TYR 25 -5.383 -5.323 3.320
179 HE1 TYR 25 HE1 TYR 25 -8.001 -3.563 7.175
180 HE2 TYR 25 HE2 TYR 25 -6.159 -6.864 5.097
181 HH TYR 25 HH TYR 25 -7.794 -5.793 8.038
182 H LEU 26 H LEU 26 -7.500 -0.229 1.148
183 HA LEU 26 HA LEU 26 -10.159 -0.441 2.485
184 1HB LEU 26 1HB LEU 26 -8.338 1.900 1.823
185 2HB LEU 26 2HB LEU 26 -10.023 2.133 2.300
186 HG LEU 26 HG LEU 26 -7.986 0.669 3.965
187 1HD1 LEU 26 1HD1 LEU 26 -8.872 3.605 4.094
188 2HD1 LEU 26 2HD1 LEU 26 -7.243 2.994 3.679
189 3HD1 LEU 26 3HD1 LEU 26 -7.872 2.798 5.318
190 1HD2 LEU 26 1HD2 LEU 26 -10.332 0.147 4.582
191 2HD2 LEU 26 2HD2 LEU 26 -10.721 1.881 4.662
192 3HD2 LEU 26 3HD2 LEU 26 -9.608 1.150 5.834
193 H ASN 27 H ASN 27 -8.704 -0.627 -0.480
194 HA ASN 27 HA ASN 27 -11.073 0.374 -1.922
195 1HB ASN 27 1HB ASN 27 -8.079 0.253 -2.458
196 2HB ASN 27 2HB ASN 27 -9.112 -0.071 -3.774
197 1HD2 ASN 27 2HD2 ASN 27 -8.106 2.431 -1.501
198 2HD2 ASN 27 1HD2 ASN 27 -8.669 3.782 -2.463
199 H VAL 28 H VAL 28 -9.444 -2.465 -1.051
200 HA VAL 28 HA VAL 28 -10.874 -3.962 -3.197
201 HB VAL 28 HB VAL 28 -8.349 -4.520 -1.618
202 1HG1 VAL 28 1HG1 VAL 28 -8.058 -6.570 -3.006
203 2HG1 VAL 28 2HG1 VAL 28 -9.406 -6.703 -1.882
204 3HG1 VAL 28 3HG1 VAL 28 -9.720 -6.380 -3.604
205 1HG2 VAL 28 1HG2 VAL 28 -8.156 -2.939 -3.529
206 2HG2 VAL 28 2HG2 VAL 28 -7.299 -4.436 -3.859
207 3HG2 VAL 28 3HG2 VAL 28 -8.890 -4.152 -4.602
208 H VAL 29 H VAL 29 -10.757 -3.284 0.189
209 HA VAL 29 HA VAL 29 -11.918 -5.884 0.932
210 HB VAL 29 HB VAL 29 -11.187 -3.419 2.497
211 1HG1 VAL 29 1HG1 VAL 29 -12.544 -5.930 3.575
212 2HG1 VAL 29 2HG1 VAL 29 -11.773 -4.688 4.569
213 3HG1 VAL 29 3HG1 VAL 29 -13.204 -4.282 3.630
214 1HG2 VAL 29 1HG2 VAL 29 -10.237 -6.327 2.557
215 2HG2 VAL 29 2HG2 VAL 29 -9.377 -4.975 1.791
216 3HG2 VAL 29 3HG2 VAL 29 -9.593 -4.997 3.541
217 H THR 30 H THR 30 -13.195 -2.576 1.271
218 HA THR 30 HA THR 30 -15.843 -3.495 1.572
219 HB THR 30 HB THR 30 -16.110 -0.847 0.925
220 HG1 THR 30 HG1 THR 30 -14.238 0.122 1.982
221 1HG2 THR 30 1HG2 THR 30 -15.209 -2.107 3.536
222 2HG2 THR 30 2HG2 THR 30 -16.885 -1.908 2.980
223 3HG2 THR 30 3HG2 THR 30 -15.917 -0.488 3.392
224 H ARG 31 H ARG 31 -14.119 -2.521 -1.382
225 HA ARG 31 HA ARG 31 -16.476 -2.497 -2.976
226 1HB ARG 31 1HB ARG 31 -13.557 -2.852 -3.671
227 2HB ARG 31 2HB ARG 31 -14.799 -3.121 -4.892
228 1HG ARG 31 1HG ARG 31 -15.706 -0.809 -4.402
229 2HG ARG 31 2HG ARG 31 -14.272 -0.553 -3.400
230 1HD ARG 31 1HD ARG 31 -13.765 0.378 -5.547
231 2HD ARG 31 2HD ARG 31 -12.855 -1.119 -5.426
232 HE ARG 31 HE ARG 31 -14.026 -2.021 -7.136
233 1HH1 ARG 31 1HH1 ARG 31 -15.670 1.051 -6.292
234 2HH1 ARG 31 2HH1 ARG 31 -16.590 1.077 -7.750
235 1HH2 ARG 31 1HH2 ARG 31 -15.246 -1.861 -9.081
236 2HH2 ARG 31 2HH2 ARG 31 -16.305 -0.524 -9.354
237 H HIS 32 H HIS 32 -14.970 -5.232 -1.612
238 HA HIS 32 HA HIS 32 -16.426 -7.083 -3.432
239 1HB HIS 32 1HB HIS 32 -14.063 -7.407 -1.560
240 2HB HIS 32 2HB HIS 32 -14.992 -8.787 -2.084
241 HD1 HIS 32 HD1 HIS 32 -11.994 -8.569 -2.893
242 HD2 HIS 32 HD2 HIS 32 -15.280 -7.426 -5.262
243 HE1 HIS 32 HE1 HIS 32 -11.148 -8.481 -5.290
244 H ARG 33 H ARG 33 -17.230 -5.343 -0.866
245 HA ARG 33 HA ARG 33 -18.958 -7.449 0.318
246 1HB ARG 33 1HB ARG 33 -17.425 -5.321 1.876
247 2HB ARG 33 2HB ARG 33 -18.608 -6.448 2.544
248 1HG ARG 33 1HG ARG 33 -16.025 -7.395 1.231
249 2HG ARG 33 2HG ARG 33 -16.126 -6.910 2.916
250 1HD ARG 33 1HD ARG 33 -16.298 -9.278 2.812
251 2HD ARG 33 2HD ARG 33 -17.844 -8.614 3.340
252 HE ARG 33 HE ARG 33 -17.433 -9.284 0.461
253 1HH1 ARG 33 1HH1 ARG 33 -19.226 -9.957 3.488
254 2HH1 ARG 33 2HH1 ARG 33 -19.941 -11.407 2.841
255 1HH2 ARG 33 1HH2 ARG 33 -18.524 -11.118 -0.383
256 2HH2 ARG 33 2HH2 ARG 33 -19.768 -11.894 0.545
257 H TYR 34 H TYR 34 -18.735 -4.064 1.284
258 HA TYR 34 HA TYR 34 -21.429 -3.462 0.857
259 1HB TYR 34 1HB TYR 34 -19.746 -2.272 2.315
260 2HB TYR 34 2HB TYR 34 -19.005 -1.608 0.877
261 HD1 TYR 34 HD1 TYR 34 -19.395 0.693 0.783
262 HD2 TYR 34 HD2 TYR 34 -22.635 -1.874 2.016
263 HE1 TYR 34 HE1 TYR 34 -20.794 2.678 1.219
264 HE2 TYR 34 HE2 TYR 34 -24.035 0.108 2.436
265 HH TYR 34 HH TYR 34 -23.483 3.198 1.603
266 1HN NH2 35 1H NH2 35 -18.623 -3.177 -1.331
267 2HN NH2 35 2H NH2 35 -19.540 -2.638 -2.735
268 2HN ZAB 10 H AZO 10 10.667 1.155 4.304
269 2HA ZAB 10 2HA AZO 10 10.841 2.154 2.239
270 3HA ZAB 10 3HA AZO 10 10.014 3.570 2.927
271 HG2 ZAB 10 HG2 AZO 10 13.381 1.844 3.112
272 HD2 ZAB 10 HD2 AZO 10 15.519 3.091 3.234
273 HE ZAB 10 HE AZO 10 15.515 5.587 3.231
274 HG1 ZAB 10 HG1 AZO 10 11.225 5.568 2.992
275 HJ2 ZAB 10 HJ2 AZO 10 15.519 9.615 1.456
276 HK2 ZAB 10 HK2 AZO 10 16.452 9.562 -0.842
277 HL ZAB 10 HL AZO 10 15.755 7.777 -2.423
278 HJ1 ZAB 10 HJ1 AZO 10 13.134 6.131 0.558
279 2HM ZAB 10 2HM AZO 10 14.836 5.220 -2.306
280 3HM ZAB 10 3HM AZO 10 13.279 5.089 -1.473
Start of MODEL 12
1 1H GLY 1 H GLY 1 6.227 -18.808 14.322
2 1HA GLY 1 1HA GLY 1 3.817 -18.882 14.244
3 2HA GLY 1 2HA GLY 1 3.793 -17.535 15.418
4 HA PRO 2 HA PRO 2 3.544 -15.311 11.434
5 1HB PRO 2 1HB PRO 2 2.602 -12.938 12.372
6 2HB PRO 2 2HB PRO 2 1.549 -14.371 12.162
7 1HG PRO 2 1HG PRO 2 2.895 -13.404 14.696
8 2HG PRO 2 2HG PRO 2 1.195 -13.906 14.483
9 1HD PRO 2 1HD PRO 2 3.114 -15.575 15.476
10 2HD PRO 2 2HD PRO 2 1.801 -16.188 14.417
11 H SER 3 H SER 3 5.701 -15.032 10.875
12 HA SER 3 HA SER 3 7.587 -13.843 12.724
13 1HB SER 3 1HB SER 3 7.832 -14.442 9.739
14 2HB SER 3 2HB SER 3 9.162 -14.089 10.860
15 HG SER 3 HG SER 3 9.110 -16.210 10.651
16 H GLN 4 H GLN 4 8.760 -11.842 12.217
17 HA GLN 4 HA GLN 4 7.343 -9.965 10.357
18 1HB GLN 4 1HB GLN 4 6.612 -9.686 12.759
19 2HB GLN 4 2HB GLN 4 8.286 -9.303 13.147
20 1HG GLN 4 1HG GLN 4 7.857 -7.499 11.139
21 2HG GLN 4 2HG GLN 4 6.208 -7.665 11.741
22 1HE2 GLN 4 2HE2 GLN 4 5.704 -6.350 13.633
23 2HE2 GLN 4 1HE2 GLN 4 6.972 -5.664 14.607
24 HA PRO 5 HA PRO 5 11.976 -10.069 9.871
25 1HB PRO 5 1HB PRO 5 12.281 -11.088 7.396
26 2HB PRO 5 2HB PRO 5 11.994 -12.125 8.823
27 1HG PRO 5 1HG PRO 5 9.947 -11.172 6.805
28 2HG PRO 5 2HG PRO 5 10.208 -12.832 7.407
29 1HD PRO 5 1HD PRO 5 8.310 -11.183 8.510
30 2HD PRO 5 2HD PRO 5 9.240 -12.359 9.457
31 H THR 6 H THR 6 12.320 -7.891 9.769
32 HA THR 6 HA THR 6 11.127 -6.308 7.567
33 HB THR 6 HB THR 6 12.149 -4.407 8.741
34 HG1 THR 6 HG1 THR 6 13.028 -6.340 10.618
35 1HG2 THR 6 1HG2 THR 6 10.400 -6.148 10.514
36 2HG2 THR 6 2HG2 THR 6 9.896 -4.902 9.342
37 3HG2 THR 6 3HG2 THR 6 10.760 -4.440 10.805
38 H TYR 7 H TYR 7 12.559 -5.005 6.222
39 HA TYR 7 HA TYR 7 15.367 -5.903 5.978
40 1HB TYR 7 1HB TYR 7 13.224 -6.163 3.844
41 2HB TYR 7 2HB TYR 7 14.913 -5.937 3.443
42 HD1 TYR 7 HD1 TYR 7 12.536 -8.316 5.028
43 HD2 TYR 7 HD2 TYR 7 16.545 -7.648 3.670
44 HE1 TYR 7 HE1 TYR 7 12.945 -10.754 5.110
45 HE2 TYR 7 HE2 TYR 7 17.011 -10.062 3.794
46 HH TYR 7 HH TYR 7 14.595 -12.398 5.042
47 HA PRO 8 HA PRO 8 14.396 -1.335 5.690
48 1HB PRO 8 1HB PRO 8 16.117 -0.398 7.572
49 2HB PRO 8 2HB PRO 8 14.534 -1.108 8.027
50 1HG PRO 8 1HG PRO 8 17.245 -2.459 7.983
51 2HG PRO 8 2HG PRO 8 16.040 -2.462 9.316
52 1HD PRO 8 1HD PRO 8 16.266 -4.499 7.491
53 2HD PRO 8 2HD PRO 8 14.686 -4.017 8.189
54 H GLY 9 H GLY 9 15.962 0.361 4.928
55 1HA GLY 9 1HA GLY 9 18.689 0.173 4.524
56 2HA GLY 9 2HA GLY 9 18.020 -0.844 3.242
57 HA PRO 11 HA PRO 11 14.143 7.931 -1.816
58 1HB PRO 11 1HB PRO 11 13.437 5.328 -1.307
59 2HB PRO 11 2HB PRO 11 15.116 5.851 -1.623
60 1HG PRO 11 1HG PRO 11 13.813 5.314 1.047
61 2HG PRO 11 2HG PRO 11 15.435 4.833 0.465
62 1HD PRO 11 1HD PRO 11 15.016 7.032 2.065
63 2HD PRO 11 2HD PRO 11 16.318 6.963 0.843
64 H VAL 12 H VAL 12 12.329 9.237 -1.888
65 HA VAL 12 HA VAL 12 10.106 8.951 -0.036
66 HB VAL 12 HB VAL 12 10.551 10.511 -2.621
67 1HG1 VAL 12 1HG1 VAL 12 8.152 10.166 -2.529
68 2HG1 VAL 12 2HG1 VAL 12 8.128 10.551 -0.796
69 3HG1 VAL 12 3HG1 VAL 12 8.496 11.810 -1.993
70 1HG2 VAL 12 1HG2 VAL 12 10.509 12.431 -0.985
71 2HG2 VAL 12 2HG2 VAL 12 10.411 11.260 0.338
72 3HG2 VAL 12 3HG2 VAL 12 11.848 11.305 -0.694
73 H GLU 13 H GLU 13 11.004 7.433 -3.099
74 HA GLU 13 HA GLU 13 8.441 6.547 -3.917
75 1HB GLU 13 1HB GLU 13 11.107 5.090 -4.162
76 2HB GLU 13 2HB GLU 13 9.652 4.793 -5.131
77 1HG GLU 13 1HG GLU 13 9.811 7.174 -5.966
78 2HG GLU 13 2HG GLU 13 11.359 7.323 -5.124
79 H ASP 14 H ASP 14 10.644 5.336 -1.423
80 HA ASP 14 HA ASP 14 9.309 2.854 -0.972
81 1HB ASP 14 1HB ASP 14 11.481 4.439 0.325
82 2HB ASP 14 2HB ASP 14 10.513 3.548 1.482
83 H LEU 15 H LEU 15 8.463 6.115 -0.077
84 HA LEU 15 HA LEU 15 6.728 5.300 2.139
85 1HB LEU 15 1HB LEU 15 7.818 7.884 0.967
86 2HB LEU 15 2HB LEU 15 6.250 7.896 1.711
87 HG LEU 15 HG LEU 15 7.241 6.963 3.814
88 1HD1 LEU 15 1HD1 LEU 15 9.865 7.355 2.305
89 2HD1 LEU 15 2HD1 LEU 15 9.217 5.820 2.930
90 3HD1 LEU 15 3HD1 LEU 15 9.737 7.076 4.055
91 1HD2 LEU 15 1HD2 LEU 15 6.912 9.402 3.487
92 2HD2 LEU 15 2HD2 LEU 15 8.543 9.527 2.793
93 3HD2 LEU 15 3HD2 LEU 15 8.333 9.058 4.495
94 H ILE 16 H ILE 16 6.673 6.680 -1.190
95 HA ILE 16 HA ILE 16 3.925 7.060 -1.475
96 HB ILE 16 HB ILE 16 6.031 6.236 -3.511
97 1HG1 ILE 16 1HG1 ILE 16 6.495 8.426 -2.637
98 2HG1 ILE 16 2HG1 ILE 16 5.874 8.599 -4.259
99 1HG2 ILE 16 1HG2 ILE 16 3.936 5.561 -4.514
100 2HG2 ILE 16 2HG2 ILE 16 3.179 7.108 -4.097
101 3HG2 ILE 16 3HG2 ILE 16 4.496 7.032 -5.292
102 1HD1 ILE 16 1HD1 ILE 16 4.452 9.214 -1.640
103 2HD1 ILE 16 2HD1 ILE 16 4.907 10.318 -2.945
104 3HD1 ILE 16 3HD1 ILE 16 3.601 9.154 -3.200
105 H ARG 17 H ARG 17 5.654 4.067 -2.527
106 HA ARG 17 HA ARG 17 3.216 2.693 -3.097
107 1HB ARG 17 1HB ARG 17 5.908 1.506 -2.296
108 2HB ARG 17 2HB ARG 17 4.572 0.647 -3.082
109 1HG ARG 17 1HG ARG 17 4.755 2.388 -4.979
110 2HG ARG 17 2HG ARG 17 6.282 2.892 -4.236
111 1HD ARG 17 1HD ARG 17 5.575 0.195 -5.428
112 2HD ARG 17 2HD ARG 17 6.783 1.353 -5.980
113 HE ARG 17 HE ARG 17 6.972 -0.579 -3.787
114 1HH1 ARG 17 1HH1 ARG 17 8.672 2.078 -5.457
115 2HH1 ARG 17 2HH1 ARG 17 10.054 1.978 -4.393
116 1HH2 ARG 17 1HH2 ARG 17 8.818 -0.931 -2.756
117 2HH2 ARG 17 2HH2 ARG 17 10.251 0.020 -2.976
118 H PHE 18 H PHE 18 5.189 2.661 -0.139
119 HA PHE 18 HA PHE 18 3.712 0.865 1.366
120 1HB PHE 18 1HB PHE 18 5.946 1.776 1.823
121 2HB PHE 18 2HB PHE 18 5.253 3.343 2.222
122 HD1 PHE 18 HD1 PHE 18 4.467 3.787 4.442
123 HD2 PHE 18 HD2 PHE 18 5.480 -0.223 3.229
124 HE1 PHE 18 HE1 PHE 18 4.399 3.048 6.790
125 HE2 PHE 18 HE2 PHE 18 5.361 -0.963 5.608
126 HZ PHE 18 HZ PHE 18 4.856 0.666 7.388
127 H TYR 19 H TYR 19 2.986 4.246 0.690
128 HA TYR 19 HA TYR 19 0.832 4.413 2.661
129 1HB TYR 19 1HB TYR 19 2.505 6.248 1.614
130 2HB TYR 19 2HB TYR 19 1.232 6.420 0.439
131 HD1 TYR 19 HD1 TYR 19 -0.856 7.553 1.078
132 HD2 TYR 19 HD2 TYR 19 2.159 6.635 4.033
133 HE1 TYR 19 HE1 TYR 19 -1.906 9.150 2.638
134 HE2 TYR 19 HE2 TYR 19 1.123 8.237 5.608
135 HH TYR 19 HH TYR 19 -0.630 9.702 5.968
136 H ASN 20 H ASN 20 1.244 4.079 -0.848
137 HA ASN 20 HA ASN 20 -1.522 4.330 -1.561
138 1HB ASN 20 1HB ASN 20 0.552 4.501 -3.085
139 2HB ASN 20 2HB ASN 20 0.567 2.724 -3.101
140 1HD2 ASN 20 2HD2 ASN 20 0.192 2.997 -5.529
141 2HD2 ASN 20 1HD2 ASN 20 -1.359 3.604 -6.089
142 H ASP 21 H ASP 21 0.426 1.666 -0.385
143 HA ASP 21 HA ASP 21 -1.214 -0.565 -1.059
144 1HB ASP 21 1HB ASP 21 1.106 -0.745 -0.312
145 2HB ASP 21 2HB ASP 21 0.684 -0.085 1.270
146 H LEU 22 H LEU 22 -1.225 1.696 1.709
147 HA LEU 22 HA LEU 22 -3.225 0.460 3.293
148 1HB LEU 22 1HB LEU 22 -2.660 3.435 2.910
149 2HB LEU 22 2HB LEU 22 -3.663 2.793 4.170
150 HG LEU 22 HG LEU 22 -0.748 1.976 3.909
151 1HD1 LEU 22 1HD1 LEU 22 -0.874 4.438 4.111
152 2HD1 LEU 22 2HD1 LEU 22 -0.261 3.707 5.600
153 3HD1 LEU 22 3HD1 LEU 22 -1.945 4.275 5.515
154 1HD2 LEU 22 1HD2 LEU 22 -2.623 2.025 6.324
155 2HD2 LEU 22 2HD2 LEU 22 -0.978 1.369 6.259
156 3HD2 LEU 22 3HD2 LEU 22 -2.299 0.581 5.371
157 H GLN 23 H GLN 23 -3.512 2.828 0.620
158 HA GLN 23 HA GLN 23 -6.389 3.040 0.836
159 1HB GLN 23 1HB GLN 23 -4.471 3.708 -1.441
160 2HB GLN 23 2HB GLN 23 -6.219 3.959 -1.509
161 1HG GLN 23 1HG GLN 23 -6.017 5.418 0.543
162 2HG GLN 23 2HG GLN 23 -4.261 5.260 0.426
163 1HE2 GLN 23 2HE2 GLN 23 -3.824 7.521 -0.066
164 2HE2 GLN 23 1HE2 GLN 23 -4.331 8.207 -1.582
165 H GLN 24 H GLN 24 -4.232 0.742 -0.907
166 HA GLN 24 HA GLN 24 -6.427 -0.285 -2.457
167 1HB GLN 24 1HB GLN 24 -3.973 -0.503 -3.019
168 2HB GLN 24 2HB GLN 24 -3.904 -1.837 -1.855
169 1HG GLN 24 1HG GLN 24 -5.497 -3.134 -3.134
170 2HG GLN 24 2HG GLN 24 -6.033 -1.726 -4.037
171 1HE2 GLN 24 2HE2 GLN 24 -2.897 -3.600 -3.542
172 2HE2 GLN 24 1HE2 GLN 24 -2.456 -3.411 -5.216
173 H TYR 25 H TYR 25 -4.968 -1.147 0.620
174 HA TYR 25 HA TYR 25 -6.566 -3.425 1.277
175 1HB TYR 25 1HB TYR 25 -4.408 -2.588 2.371
176 2HB TYR 25 2HB TYR 25 -5.334 -1.316 3.109
177 HD1 TYR 25 HD1 TYR 25 -6.324 -1.628 5.214
178 HD2 TYR 25 HD2 TYR 25 -4.976 -5.058 2.958
179 HE1 TYR 25 HE1 TYR 25 -6.610 -3.028 7.193
180 HE2 TYR 25 HE2 TYR 25 -5.319 -6.495 4.943
181 HH TYR 25 HH TYR 25 -5.737 -6.471 7.354
182 H LEU 26 H LEU 26 -7.522 -0.177 0.949
183 HA LEU 26 HA LEU 26 -10.035 -0.634 2.456
184 1HB LEU 26 1HB LEU 26 -8.578 1.890 1.545
185 2HB LEU 26 2HB LEU 26 -10.183 1.924 2.264
186 HG LEU 26 HG LEU 26 -7.834 0.661 3.708
187 1HD1 LEU 26 1HD1 LEU 26 -7.123 2.897 3.259
188 2HD1 LEU 26 2HD1 LEU 26 -7.724 2.900 4.923
189 3HD1 LEU 26 3HD1 LEU 26 -8.731 3.549 3.591
190 1HD2 LEU 26 1HD2 LEU 26 -9.991 0.058 4.639
191 2HD2 LEU 26 2HD2 LEU 26 -10.576 1.724 4.543
192 3HD2 LEU 26 3HD2 LEU 26 -9.303 1.290 5.700
193 H ASN 27 H ASN 27 -8.833 -0.723 -0.642
194 HA ASN 27 HA ASN 27 -11.440 -0.077 -1.801
195 1HB ASN 27 1HB ASN 27 -8.573 0.318 -2.619
196 2HB ASN 27 2HB ASN 27 -9.730 -0.071 -3.826
197 1HD2 ASN 27 2HD2 ASN 27 -8.497 2.410 -1.880
198 2HD2 ASN 27 1HD2 ASN 27 -9.746 3.624 -2.072
199 H VAL 28 H VAL 28 -9.359 -2.700 -1.139
200 HA VAL 28 HA VAL 28 -10.881 -4.375 -3.085
201 HB VAL 28 HB VAL 28 -8.241 -4.842 -1.623
202 1HG1 VAL 28 1HG1 VAL 28 -8.044 -6.853 -3.153
203 2HG1 VAL 28 2HG1 VAL 28 -9.285 -7.016 -1.912
204 3HG1 VAL 28 3HG1 VAL 28 -9.747 -6.631 -3.590
205 1HG2 VAL 28 1HG2 VAL 28 -7.282 -4.734 -3.915
206 2HG2 VAL 28 2HG2 VAL 28 -8.910 -4.375 -4.555
207 3HG2 VAL 28 3HG2 VAL 28 -8.078 -3.217 -3.492
208 H VAL 29 H VAL 29 -10.529 -3.614 0.298
209 HA VAL 29 HA VAL 29 -11.799 -6.073 1.149
210 HB VAL 29 HB VAL 29 -10.809 -3.597 2.547
211 1HG1 VAL 29 1HG1 VAL 29 -12.767 -4.381 3.854
212 2HG1 VAL 29 2HG1 VAL 29 -12.157 -6.051 3.802
213 3HG1 VAL 29 3HG1 VAL 29 -11.277 -4.794 4.697
214 1HG2 VAL 29 1HG2 VAL 29 -9.109 -5.188 1.751
215 2HG2 VAL 29 2HG2 VAL 29 -9.193 -5.185 3.510
216 3HG2 VAL 29 3HG2 VAL 29 -9.932 -6.517 2.598
217 H THR 30 H THR 30 -12.812 -2.675 1.512
218 HA THR 30 HA THR 30 -15.487 -3.387 1.943
219 HB THR 30 HB THR 30 -15.433 -0.701 0.978
220 HG1 THR 30 HG1 THR 30 -13.692 0.114 1.680
221 1HG2 THR 30 1HG2 THR 30 -15.929 -0.131 3.294
222 2HG2 THR 30 2HG2 THR 30 -15.415 -1.750 3.835
223 3HG2 THR 30 3HG2 THR 30 -16.855 -1.555 2.802
224 H ARG 31 H ARG 31 -14.001 -2.497 -1.160
225 HA ARG 31 HA ARG 31 -16.396 -2.149 -2.572
226 1HB ARG 31 1HB ARG 31 -14.100 -1.667 -3.415
227 2HB ARG 31 2HB ARG 31 -13.841 -3.406 -3.664
228 1HG ARG 31 1HG ARG 31 -15.675 -3.424 -5.347
229 2HG ARG 31 2HG ARG 31 -15.996 -1.725 -5.005
230 1HD ARG 31 1HD ARG 31 -14.711 -1.639 -6.964
231 2HD ARG 31 2HD ARG 31 -13.576 -1.261 -5.670
232 HE ARG 31 HE ARG 31 -12.302 -2.972 -6.328
233 1HH1 ARG 31 1HH1 ARG 31 -15.566 -3.646 -7.531
234 2HH1 ARG 31 2HH1 ARG 31 -15.138 -5.135 -8.315
235 1HH2 ARG 31 1HH2 ARG 31 -11.646 -4.681 -7.726
236 2HH2 ARG 31 2HH2 ARG 31 -12.825 -5.427 -8.725
237 H HIS 32 H HIS 32 -15.084 -5.092 -1.467
238 HA HIS 32 HA HIS 32 -16.927 -6.728 -3.110
239 1HB HIS 32 1HB HIS 32 -14.323 -7.100 -2.605
240 2HB HIS 32 2HB HIS 32 -14.964 -7.911 -1.180
241 HD1 HIS 32 HD1 HIS 32 -16.698 -10.066 -1.821
242 HD2 HIS 32 HD2 HIS 32 -14.370 -8.330 -4.877
243 HE1 HIS 32 HE1 HIS 32 -16.686 -11.731 -3.742
244 H ARG 33 H ARG 33 -17.515 -5.008 -0.449
245 HA ARG 33 HA ARG 33 -19.268 -7.079 0.737
246 1HB ARG 33 1HB ARG 33 -17.436 -5.366 2.467
247 2HB ARG 33 2HB ARG 33 -18.682 -6.491 3.029
248 1HG ARG 33 1HG ARG 33 -17.424 -8.346 1.831
249 2HG ARG 33 2HG ARG 33 -16.136 -7.179 1.516
250 1HD ARG 33 1HD ARG 33 -15.930 -6.879 4.014
251 2HD ARG 33 2HD ARG 33 -17.088 -8.205 4.210
252 HE ARG 33 HE ARG 33 -14.585 -8.508 2.606
253 1HH1 ARG 33 1HH1 ARG 33 -16.618 -9.865 5.220
254 2HH1 ARG 33 2HH1 ARG 33 -15.437 -11.072 5.618
255 1HH2 ARG 33 1HH2 ARG 33 -13.141 -10.263 3.122
256 2HH2 ARG 33 2HH2 ARG 33 -13.497 -11.221 4.527
257 H TYR 34 H TYR 34 -18.447 -3.553 0.682
258 HA TYR 34 HA TYR 34 -19.667 -1.745 0.795
259 1HB TYR 34 1HB TYR 34 -20.759 -2.614 -1.238
260 2HB TYR 34 2HB TYR 34 -21.982 -3.377 -0.229
261 HD1 TYR 34 HD1 TYR 34 -23.954 -2.153 0.340
262 HD2 TYR 34 HD2 TYR 34 -20.407 -0.022 -0.885
263 HE1 TYR 34 HE1 TYR 34 -25.180 -0.016 0.530
264 HE2 TYR 34 HE2 TYR 34 -21.616 2.125 -0.635
265 HH TYR 34 HH TYR 34 -23.527 3.115 0.351
266 1HN NH2 35 1H NH2 35 -19.128 -2.788 3.235
267 2HN NH2 35 2H NH2 35 -20.566 -2.813 4.215
268 2HN ZAB 10 H AZO 10 16.113 1.926 4.213
269 2HA ZAB 10 2HA AZO 10 16.964 3.445 1.785
270 3HA ZAB 10 3HA AZO 10 15.276 3.272 2.311
271 HG2 ZAB 10 HG2 AZO 10 14.498 4.308 4.433
272 HD2 ZAB 10 HD2 AZO 10 14.794 6.198 6.009
273 HE ZAB 10 HE AZO 10 16.962 7.480 6.007
274 HG1 ZAB 10 HG1 AZO 10 18.499 4.923 2.937
275 HJ2 ZAB 10 HJ2 AZO 10 20.699 9.039 2.164
276 HK2 ZAB 10 HK2 AZO 10 19.791 10.351 0.218
277 HL ZAB 10 HL AZO 10 17.337 10.684 0.010
278 HJ1 ZAB 10 HJ1 AZO 10 16.712 8.411 3.604
279 2HM ZAB 10 2HM AZO 10 14.890 9.338 2.573
280 3HM ZAB 10 3HM AZO 10 15.209 10.893 1.815
Start of MODEL 13
1 1H GLY 1 H GLY 1 31.215 9.088 -14.713
2 1HA GLY 1 1HA GLY 1 33.253 10.753 -13.335
3 2HA GLY 1 2HA GLY 1 31.486 10.930 -13.175
4 HA PRO 2 HA PRO 2 32.825 8.116 -9.777
5 1HB PRO 2 1HB PRO 2 31.101 8.969 -7.840
6 2HB PRO 2 2HB PRO 2 32.584 9.880 -8.263
7 1HG PRO 2 1HG PRO 2 29.747 10.382 -9.226
8 2HG PRO 2 2HG PRO 2 30.931 11.570 -8.582
9 1HD PRO 2 1HD PRO 2 30.536 11.160 -11.264
10 2HD PRO 2 2HD PRO 2 32.135 11.602 -10.593
11 H SER 3 H SER 3 31.699 6.250 -8.842
12 HA SER 3 HA SER 3 29.337 5.445 -10.332
13 1HB SER 3 1HB SER 3 31.308 3.934 -8.575
14 2HB SER 3 2HB SER 3 29.933 3.213 -9.442
15 HG SER 3 HG SER 3 31.989 3.143 -10.591
16 H GLN 4 H GLN 4 27.328 5.243 -9.345
17 HA GLN 4 HA GLN 4 27.146 5.434 -6.391
18 1HB GLN 4 1HB GLN 4 25.600 7.156 -8.372
19 2HB GLN 4 2HB GLN 4 25.349 7.093 -6.625
20 1HG GLN 4 1HG GLN 4 27.661 7.955 -6.262
21 2HG GLN 4 2HG GLN 4 27.909 8.040 -8.009
22 1HE2 GLN 4 2HE2 GLN 4 26.778 9.799 -5.302
23 2HE2 GLN 4 1HE2 GLN 4 26.053 11.118 -6.202
24 HA PRO 5 HA PRO 5 24.713 2.124 -8.643
25 1HB PRO 5 1HB PRO 5 25.497 -0.038 -7.095
26 2HB PRO 5 2HB PRO 5 26.375 0.528 -8.552
27 1HG PRO 5 1HG PRO 5 26.933 1.181 -5.647
28 2HG PRO 5 2HG PRO 5 28.089 0.647 -6.903
29 1HD PRO 5 1HD PRO 5 27.804 3.262 -6.261
30 2HD PRO 5 2HD PRO 5 28.034 2.763 -7.963
31 H THR 6 H THR 6 22.947 0.792 -7.871
32 HA THR 6 HA THR 6 21.592 2.075 -5.612
33 HB THR 6 HB THR 6 20.423 1.671 -7.699
34 HG1 THR 6 HG1 THR 6 19.041 -0.048 -6.050
35 1HG2 THR 6 1HG2 THR 6 19.613 -0.560 -8.362
36 2HG2 THR 6 2HG2 THR 6 20.711 -1.297 -7.171
37 3HG2 THR 6 3HG2 THR 6 21.355 -0.393 -8.555
38 H TYR 7 H TYR 7 20.491 0.650 -4.010
39 HA TYR 7 HA TYR 7 21.795 -1.886 -3.356
40 1HB TYR 7 1HB TYR 7 22.143 0.665 -1.788
41 2HB TYR 7 2HB TYR 7 22.088 -0.839 -0.907
42 HD1 TYR 7 HD1 TYR 7 24.195 1.377 -2.760
43 HD2 TYR 7 HD2 TYR 7 23.623 -2.814 -1.864
44 HE1 TYR 7 HE1 TYR 7 26.478 0.896 -3.539
45 HE2 TYR 7 HE2 TYR 7 25.870 -3.308 -2.732
46 HH TYR 7 HH TYR 7 28.208 -1.692 -3.003
47 HA PRO 8 HA PRO 8 17.743 -2.797 -2.116
48 1HB PRO 8 1HB PRO 8 17.928 -4.620 -0.114
49 2HB PRO 8 2HB PRO 8 18.584 -4.935 -1.753
50 1HG PRO 8 1HG PRO 8 20.102 -3.977 0.687
51 2HG PRO 8 2HG PRO 8 20.522 -5.325 -0.420
52 1HD PRO 8 1HD PRO 8 21.555 -2.825 -0.666
53 2HD PRO 8 2HD PRO 8 21.245 -3.842 -2.091
54 H GLY 9 H GLY 9 16.027 -2.600 -0.642
55 1HA GLY 9 1HA GLY 9 15.042 -2.211 1.460
56 2HA GLY 9 2HA GLY 9 16.408 -1.193 1.943
57 HA PRO 11 HA PRO 11 14.288 7.561 -3.868
58 1HB PRO 11 1HB PRO 11 13.049 5.155 -3.531
59 2HB PRO 11 2HB PRO 11 14.744 5.276 -4.093
60 1HG PRO 11 1HG PRO 11 13.763 4.781 -1.262
61 2HG PRO 11 2HG PRO 11 14.991 3.868 -2.189
62 1HD PRO 11 1HD PRO 11 15.658 5.846 -0.418
63 2HD PRO 11 2HD PRO 11 16.603 5.574 -1.914
64 H VAL 12 H VAL 12 12.041 7.937 -4.110
65 HA VAL 12 HA VAL 12 10.465 8.215 -1.592
66 HB VAL 12 HB VAL 12 10.245 9.871 -4.127
67 1HG1 VAL 12 1HG1 VAL 12 8.921 11.417 -2.721
68 2HG1 VAL 12 2HG1 VAL 12 8.143 9.841 -2.764
69 3HG1 VAL 12 3HG1 VAL 12 9.076 10.319 -1.336
70 1HG2 VAL 12 1HG2 VAL 12 11.258 11.699 -2.712
71 2HG2 VAL 12 2HG2 VAL 12 11.641 10.479 -1.492
72 3HG2 VAL 12 3HG2 VAL 12 12.397 10.398 -3.097
73 H GLU 13 H GLU 13 10.700 6.463 -4.584
74 HA GLU 13 HA GLU 13 7.945 6.055 -5.087
75 1HB GLU 13 1HB GLU 13 10.275 4.143 -5.561
76 2HB GLU 13 2HB GLU 13 8.654 4.052 -6.290
77 1HG GLU 13 1HG GLU 13 9.031 6.314 -7.274
78 2HG GLU 13 2HG GLU 13 10.720 6.214 -6.783
79 H ASP 14 H ASP 14 10.098 4.685 -2.667
80 HA ASP 14 HA ASP 14 8.470 2.384 -2.056
81 1HB ASP 14 1HB ASP 14 10.866 2.491 -1.456
82 2HB ASP 14 2HB ASP 14 10.500 3.779 -0.295
83 H LEU 15 H LEU 15 8.620 5.732 -0.954
84 HA LEU 15 HA LEU 15 6.810 5.512 1.204
85 1HB LEU 15 1HB LEU 15 8.454 7.503 0.040
86 2HB LEU 15 2HB LEU 15 6.842 8.099 -0.293
87 HG LEU 15 HG LEU 15 7.662 9.016 1.718
88 1HD1 LEU 15 1HD1 LEU 15 5.912 8.509 3.309
89 2HD1 LEU 15 2HD1 LEU 15 5.611 6.908 2.551
90 3HD1 LEU 15 3HD1 LEU 15 5.229 8.408 1.680
91 1HD2 LEU 15 1HD2 LEU 15 8.340 7.724 3.686
92 2HD2 LEU 15 2HD2 LEU 15 9.313 7.313 2.265
93 3HD2 LEU 15 3HD2 LEU 15 8.050 6.201 2.829
94 H ILE 16 H ILE 16 6.397 6.463 -2.215
95 HA ILE 16 HA ILE 16 3.609 6.941 -2.070
96 HB ILE 16 HB ILE 16 5.259 5.992 -4.441
97 1HG1 ILE 16 1HG1 ILE 16 6.087 8.131 -3.595
98 2HG1 ILE 16 2HG1 ILE 16 5.350 8.294 -5.180
99 1HG2 ILE 16 1HG2 ILE 16 3.431 6.982 -5.846
100 2HG2 ILE 16 2HG2 ILE 16 2.925 5.564 -4.937
101 3HG2 ILE 16 3HG2 ILE 16 2.444 7.174 -4.385
102 1HD1 ILE 16 1HD1 ILE 16 4.051 9.084 -2.547
103 2HD1 ILE 16 2HD1 ILE 16 4.805 10.186 -3.710
104 3HD1 ILE 16 3HD1 ILE 16 3.335 9.303 -4.160
105 H ARG 17 H ARG 17 5.340 3.872 -3.023
106 HA ARG 17 HA ARG 17 2.831 2.528 -3.228
107 1HB ARG 17 1HB ARG 17 4.026 0.477 -3.535
108 2HB ARG 17 2HB ARG 17 4.996 1.722 -4.304
109 1HG ARG 17 1HG ARG 17 6.413 1.838 -2.262
110 2HG ARG 17 2HG ARG 17 5.459 0.547 -1.523
111 1HD ARG 17 1HD ARG 17 6.165 -0.912 -3.482
112 2HD ARG 17 2HD ARG 17 7.336 0.348 -3.883
113 HE ARG 17 HE ARG 17 8.406 0.042 -1.717
114 1HH1 ARG 17 1HH1 ARG 17 5.972 -2.510 -2.388
115 2HH1 ARG 17 2HH1 ARG 17 6.393 -3.365 -0.937
116 1HH2 ARG 17 1HH2 ARG 17 8.978 -1.138 -0.049
117 2HH2 ARG 17 2HH2 ARG 17 8.419 -2.785 0.209
118 H PHE 18 H PHE 18 4.865 3.064 -0.408
119 HA PHE 18 HA PHE 18 3.557 1.116 1.241
120 1HB PHE 18 1HB PHE 18 5.680 2.134 1.868
121 2HB PHE 18 2HB PHE 18 4.988 3.748 1.835
122 HD1 PHE 18 HD1 PHE 18 3.602 4.593 3.661
123 HD2 PHE 18 HD2 PHE 18 5.167 0.571 3.714
124 HE1 PHE 18 HE1 PHE 18 2.992 4.389 6.050
125 HE2 PHE 18 HE2 PHE 18 4.570 0.376 6.096
126 HZ PHE 18 HZ PHE 18 3.449 2.281 7.281
127 H TYR 19 H TYR 19 2.911 4.526 0.387
128 HA TYR 19 HA TYR 19 0.675 4.875 2.155
129 1HB TYR 19 1HB TYR 19 2.122 6.459 0.230
130 2HB TYR 19 2HB TYR 19 0.449 6.515 -0.238
131 HD1 TYR 19 HD1 TYR 19 -1.281 7.425 1.336
132 HD2 TYR 19 HD2 TYR 19 2.935 7.537 2.219
133 HE1 TYR 19 HE1 TYR 19 -1.710 9.124 3.083
134 HE2 TYR 19 HE2 TYR 19 2.542 9.244 3.958
135 HH TYR 19 HH TYR 19 -0.412 10.963 4.388
136 H ASN 20 H ASN 20 0.967 4.025 -1.271
137 HA ASN 20 HA ASN 20 -1.822 3.785 -1.784
138 1HB ASN 20 1HB ASN 20 0.663 2.900 -3.238
139 2HB ASN 20 2HB ASN 20 -0.886 2.199 -3.693
140 1HD2 ASN 20 2HD2 ASN 20 -0.910 3.304 -5.816
141 2HD2 ASN 20 1HD2 ASN 20 -1.209 5.037 -5.821
142 H ASP 21 H ASP 21 0.453 1.505 -0.265
143 HA ASP 21 HA ASP 21 -1.163 -0.822 -0.658
144 1HB ASP 21 1HB ASP 21 1.276 -0.760 0.071
145 2HB ASP 21 2HB ASP 21 0.701 -0.370 1.697
146 H LEU 22 H LEU 22 -0.950 1.539 2.062
147 HA LEU 22 HA LEU 22 -2.848 0.328 3.734
148 1HB LEU 22 1HB LEU 22 -2.047 3.251 3.368
149 2HB LEU 22 2HB LEU 22 -3.357 2.764 4.437
150 HG LEU 22 HG LEU 22 -1.715 1.204 5.605
151 1HD1 LEU 22 1HD1 LEU 22 0.129 1.273 3.989
152 2HD1 LEU 22 2HD1 LEU 22 0.645 1.887 5.563
153 3HD1 LEU 22 3HD1 LEU 22 0.307 3.027 4.240
154 1HD2 LEU 22 1HD2 LEU 22 -0.912 3.084 7.011
155 2HD2 LEU 22 2HD2 LEU 22 -2.613 3.293 6.578
156 3HD2 LEU 22 3HD2 LEU 22 -1.356 4.235 5.739
157 H GLN 23 H GLN 23 -3.380 2.749 1.112
158 HA GLN 23 HA GLN 23 -6.277 2.721 1.621
159 1HB GLN 23 1HB GLN 23 -6.519 4.053 -0.419
160 2HB GLN 23 2HB GLN 23 -5.447 4.791 0.756
161 1HG GLN 23 1HG GLN 23 -3.554 4.517 -0.564
162 2HG GLN 23 2HG GLN 23 -4.213 3.111 -1.405
163 1HE2 GLN 23 2HE2 GLN 23 -4.003 6.631 -1.507
164 2HE2 GLN 23 1HE2 GLN 23 -4.824 6.760 -3.050
165 H GLN 24 H GLN 24 -4.080 0.696 -0.406
166 HA GLN 24 HA GLN 24 -5.989 -0.129 -2.262
167 1HB GLN 24 1HB GLN 24 -3.252 -0.751 -1.334
168 2HB GLN 24 2HB GLN 24 -4.121 -2.186 -1.652
169 1HG GLN 24 1HG GLN 24 -4.603 -1.554 -3.911
170 2HG GLN 24 2HG GLN 24 -4.115 0.122 -3.624
171 1HE2 GLN 24 2HE2 GLN 24 -3.008 -0.861 -5.786
172 2HE2 GLN 24 1HE2 GLN 24 -1.361 -1.441 -5.542
173 H TYR 25 H TYR 25 -5.037 -1.325 0.918
174 HA TYR 25 HA TYR 25 -6.807 -3.609 1.036
175 1HB TYR 25 1HB TYR 25 -4.900 -3.124 2.631
176 2HB TYR 25 2HB TYR 25 -5.836 -1.805 3.314
177 HD1 TYR 25 HD1 TYR 25 -7.615 -2.247 4.917
178 HD2 TYR 25 HD2 TYR 25 -5.664 -5.501 2.859
179 HE1 TYR 25 HE1 TYR 25 -8.737 -3.841 6.389
180 HE2 TYR 25 HE2 TYR 25 -6.780 -7.119 4.338
181 HH TYR 25 HH TYR 25 -9.179 -6.086 6.831
182 H LEU 26 H LEU 26 -7.325 -0.241 2.202
183 HA LEU 26 HA LEU 26 -10.026 -0.785 2.749
184 1HB LEU 26 1HB LEU 26 -8.648 1.852 2.077
185 2HB LEU 26 2HB LEU 26 -10.306 1.780 2.653
186 HG LEU 26 HG LEU 26 -7.938 0.700 4.220
187 1HD1 LEU 26 1HD1 LEU 26 -8.231 2.786 5.594
188 2HD1 LEU 26 2HD1 LEU 26 -9.375 3.393 4.372
189 3HD1 LEU 26 3HD1 LEU 26 -7.683 3.100 3.945
190 1HD2 LEU 26 1HD2 LEU 26 -10.845 1.261 5.007
191 2HD2 LEU 26 2HD2 LEU 26 -9.548 0.819 6.139
192 3HD2 LEU 26 3HD2 LEU 26 -10.048 -0.336 4.911
193 H ASN 27 H ASN 27 -8.719 -0.266 -0.277
194 HA ASN 27 HA ASN 27 -11.279 0.353 -1.543
195 1HB ASN 27 1HB ASN 27 -8.332 0.196 -2.282
196 2HB ASN 27 2HB ASN 27 -9.521 0.165 -3.517
197 1HD2 ASN 27 2HD2 ASN 27 -7.721 2.228 -3.511
198 2HD2 ASN 27 1HD2 ASN 27 -8.476 3.726 -2.949
199 H VAL 28 H VAL 28 -9.168 -2.415 -1.127
200 HA VAL 28 HA VAL 28 -10.684 -3.999 -3.129
201 HB VAL 28 HB VAL 28 -8.161 -4.547 -1.517
202 1HG1 VAL 28 1HG1 VAL 28 -9.514 -6.293 -3.628
203 2HG1 VAL 28 2HG1 VAL 28 -7.862 -6.526 -3.004
204 3HG1 VAL 28 3HG1 VAL 28 -9.237 -6.699 -1.924
205 1HG2 VAL 28 1HG2 VAL 28 -8.585 -4.104 -4.519
206 2HG2 VAL 28 2HG2 VAL 28 -7.919 -2.896 -3.411
207 3HG2 VAL 28 3HG2 VAL 28 -7.034 -4.391 -3.702
208 H VAL 29 H VAL 29 -10.548 -3.364 0.308
209 HA VAL 29 HA VAL 29 -11.976 -5.806 1.037
210 HB VAL 29 HB VAL 29 -10.985 -3.368 2.524
211 1HG1 VAL 29 1HG1 VAL 29 -11.928 -4.323 4.636
212 2HG1 VAL 29 2HG1 VAL 29 -13.212 -3.804 3.556
213 3HG1 VAL 29 3HG1 VAL 29 -12.825 -5.533 3.689
214 1HG2 VAL 29 1HG2 VAL 29 -10.511 -6.355 2.793
215 2HG2 VAL 29 2HG2 VAL 29 -9.376 -5.093 2.210
216 3HG2 VAL 29 3HG2 VAL 29 -9.884 -5.116 3.885
217 H THR 30 H THR 30 -12.851 -2.345 0.936
218 HA THR 30 HA THR 30 -15.522 -2.598 1.527
219 HB THR 30 HB THR 30 -15.636 -0.454 0.183
220 HG1 THR 30 HG1 THR 30 -12.899 -0.267 0.141
221 1HG2 THR 30 1HG2 THR 30 -13.630 -0.744 2.431
222 2HG2 THR 30 2HG2 THR 30 -15.336 -0.258 2.519
223 3HG2 THR 30 3HG2 THR 30 -14.151 0.819 1.771
224 H ARG 31 H ARG 31 -14.073 -2.444 -1.709
225 HA ARG 31 HA ARG 31 -16.441 -2.915 -3.165
226 1HB ARG 31 1HB ARG 31 -14.271 -1.890 -3.851
227 2HB ARG 31 2HB ARG 31 -13.546 -3.503 -3.917
228 1HG ARG 31 1HG ARG 31 -14.860 -4.109 -5.799
229 2HG ARG 31 2HG ARG 31 -16.016 -2.794 -5.543
230 1HD ARG 31 1HD ARG 31 -14.449 -2.312 -7.431
231 2HD ARG 31 2HD ARG 31 -14.364 -1.112 -6.136
232 HE ARG 31 HE ARG 31 -12.231 -1.762 -5.597
233 1HH1 ARG 31 1HH1 ARG 31 -13.599 -4.209 -7.807
234 2HH1 ARG 31 2HH1 ARG 31 -12.141 -5.112 -7.926
235 1HH2 ARG 31 1HH2 ARG 31 -10.239 -2.765 -6.021
236 2HH2 ARG 31 2HH2 ARG 31 -10.143 -4.181 -6.986
237 H HIS 32 H HIS 32 -14.984 -5.192 -1.185
238 HA HIS 32 HA HIS 32 -16.130 -7.515 -2.653
239 1HB HIS 32 1HB HIS 32 -13.594 -7.198 -2.580
240 2HB HIS 32 2HB HIS 32 -13.694 -7.367 -0.834
241 HD1 HIS 32 HD1 HIS 32 -15.407 -10.048 -0.628
242 HD2 HIS 32 HD2 HIS 32 -12.257 -9.218 -3.298
243 HE1 HIS 32 HE1 HIS 32 -14.324 -12.292 -1.180
244 H ARG 33 H ARG 33 -16.801 -5.436 -0.157
245 HA ARG 33 HA ARG 33 -18.143 -7.559 1.389
246 1HB ARG 33 1HB ARG 33 -15.744 -7.340 2.217
247 2HB ARG 33 2HB ARG 33 -16.117 -5.691 2.707
248 1HG ARG 33 1HG ARG 33 -17.888 -6.598 4.234
249 2HG ARG 33 2HG ARG 33 -17.438 -8.243 3.708
250 1HD ARG 33 1HD ARG 33 -15.096 -7.779 4.493
251 2HD ARG 33 2HD ARG 33 -15.638 -6.218 5.110
252 HE ARG 33 HE ARG 33 -17.168 -7.376 6.634
253 1HH1 ARG 33 1HH1 ARG 33 -14.670 -9.491 5.181
254 2HH1 ARG 33 2HH1 ARG 33 -14.685 -10.603 6.484
255 1HH2 ARG 33 1HH2 ARG 33 -17.184 -8.772 8.276
256 2HH2 ARG 33 2HH2 ARG 33 -16.099 -10.137 8.415
257 H TYR 34 H TYR 34 -17.426 -4.065 1.183
258 HA TYR 34 HA TYR 34 -19.620 -3.232 2.931
259 1HB TYR 34 1HB TYR 34 -17.431 -1.983 2.627
260 2HB TYR 34 2HB TYR 34 -17.887 -1.665 0.967
261 HD1 TYR 34 HD1 TYR 34 -19.661 -0.019 0.415
262 HD2 TYR 34 HD2 TYR 34 -18.391 -0.725 4.487
263 HE1 TYR 34 HE1 TYR 34 -20.493 2.208 1.055
264 HE2 TYR 34 HE2 TYR 34 -19.261 1.485 5.143
265 HH TYR 34 HH TYR 34 -20.445 3.434 4.411
266 1HN NH2 35 1H NH2 35 -21.414 -1.761 1.914
267 2HN NH2 35 2H NH2 35 -21.960 -2.191 0.318
268 2HN ZAB 10 H AZO 10 16.574 0.849 1.113
269 2HA ZAB 10 2HA AZO 10 15.939 2.641 -0.445
270 3HA ZAB 10 3HA AZO 10 14.260 2.044 -0.388
271 HG2 ZAB 10 HG2 AZO 10 12.869 2.354 1.612
272 HD2 ZAB 10 HD2 AZO 10 12.478 3.691 3.659
273 HE ZAB 10 HE AZO 10 14.282 5.109 4.598
274 HG1 ZAB 10 HG1 AZO 10 16.948 3.781 1.491
275 HJ2 ZAB 10 HJ2 AZO 10 15.459 8.521 4.471
276 HK2 ZAB 10 HK2 AZO 10 14.870 10.418 2.984
277 HL ZAB 10 HL AZO 10 15.535 10.379 0.595
278 HJ1 ZAB 10 HJ1 AZO 10 17.433 6.547 1.189
279 2HM ZAB 10 2HM AZO 10 17.456 9.357 -0.950
280 3HM ZAB 10 3HM AZO 10 17.588 7.600 -0.921
Start of MODEL 14
1 1H GLY 1 H GLY 1 7.396 -16.951 -10.780
2 1HA GLY 1 1HA GLY 1 7.323 -14.728 -8.826
3 2HA GLY 1 2HA GLY 1 8.511 -14.805 -10.145
4 HA PRO 2 HA PRO 2 4.134 -13.792 -11.856
5 1HB PRO 2 1HB PRO 2 3.022 -11.565 -10.705
6 2HB PRO 2 2HB PRO 2 2.765 -13.206 -10.049
7 1HG PRO 2 1HG PRO 2 4.800 -11.151 -9.129
8 2HG PRO 2 2HG PRO 2 3.654 -12.108 -8.132
9 1HD PRO 2 1HD PRO 2 6.250 -12.878 -8.486
10 2HD PRO 2 2HD PRO 2 4.914 -14.054 -8.371
11 H SER 3 H SER 3 3.696 -11.952 -13.383
12 HA SER 3 HA SER 3 6.152 -10.627 -14.145
13 1HB SER 3 1HB SER 3 3.340 -10.334 -15.293
14 2HB SER 3 2HB SER 3 4.872 -9.906 -16.085
15 HG SER 3 HG SER 3 5.450 -12.179 -15.799
16 H GLN 4 H GLN 4 6.809 -8.683 -13.256
17 HA GLN 4 HA GLN 4 4.753 -6.739 -12.304
18 1HB GLN 4 1HB GLN 4 7.344 -7.507 -10.906
19 2HB GLN 4 2HB GLN 4 6.259 -6.222 -10.417
20 1HG GLN 4 1HG GLN 4 5.569 -9.189 -10.486
21 2HG GLN 4 2HG GLN 4 6.012 -8.280 -9.058
22 1HE2 GLN 4 2HE2 GLN 4 3.395 -9.599 -10.420
23 2HE2 GLN 4 1HE2 GLN 4 2.167 -8.525 -9.868
24 HA PRO 5 HA PRO 5 7.833 -4.936 -15.275
25 1HB PRO 5 1HB PRO 5 6.119 -3.683 -16.999
26 2HB PRO 5 2HB PRO 5 6.529 -5.424 -17.125
27 1HG PRO 5 1HG PRO 5 4.097 -4.169 -15.815
28 2HG PRO 5 2HG PRO 5 4.140 -5.544 -16.951
29 1HD PRO 5 1HD PRO 5 4.004 -5.887 -14.249
30 2HD PRO 5 2HD PRO 5 4.909 -7.018 -15.300
31 H THR 6 H THR 6 8.766 -3.259 -14.211
32 HA THR 6 HA THR 6 7.882 -0.651 -14.146
33 HB THR 6 HB THR 6 6.275 -1.265 -12.433
34 HG1 THR 6 HG1 THR 6 7.030 0.240 -10.856
35 1HG2 THR 6 1HG2 THR 6 6.900 -2.062 -10.214
36 2HG2 THR 6 2HG2 THR 6 8.581 -2.283 -10.733
37 3HG2 THR 6 3HG2 THR 6 7.293 -3.274 -11.438
38 H TYR 7 H TYR 7 9.506 0.290 -12.102
39 HA TYR 7 HA TYR 7 12.082 -1.037 -12.173
40 1HB TYR 7 1HB TYR 7 12.364 0.053 -14.293
41 2HB TYR 7 2HB TYR 7 11.742 1.580 -13.651
42 HD1 TYR 7 HD1 TYR 7 14.278 -0.798 -12.150
43 HD2 TYR 7 HD2 TYR 7 13.536 3.109 -13.832
44 HE1 TYR 7 HE1 TYR 7 16.445 -0.034 -11.330
45 HE2 TYR 7 HE2 TYR 7 15.713 3.890 -12.985
46 HH TYR 7 HH TYR 7 17.798 1.725 -10.963
47 HA PRO 8 HA PRO 8 11.044 1.475 -8.465
48 1HB PRO 8 1HB PRO 8 11.069 -0.438 -6.573
49 2HB PRO 8 2HB PRO 8 9.740 -0.371 -7.773
50 1HG PRO 8 1HG PRO 8 12.194 -2.156 -7.781
51 2HG PRO 8 2HG PRO 8 10.478 -2.601 -8.085
52 1HD PRO 8 1HD PRO 8 12.372 -1.992 -10.069
53 2HD PRO 8 2HD PRO 8 10.605 -1.887 -10.286
54 H GLY 9 H GLY 9 12.390 2.124 -6.679
55 1HA GLY 9 1HA GLY 9 15.257 1.809 -7.091
56 2HA GLY 9 2HA GLY 9 14.438 2.879 -5.965
57 HA PRO 11 HA PRO 11 14.000 9.150 -2.931
58 1HB PRO 11 1HB PRO 11 12.644 7.133 -4.099
59 2HB PRO 11 2HB PRO 11 14.423 7.138 -4.010
60 1HG PRO 11 1HG PRO 11 12.472 5.652 -2.250
61 2HG PRO 11 2HG PRO 11 14.010 5.070 -2.971
62 1HD PRO 11 1HD PRO 11 13.671 6.060 -0.392
63 2HD PRO 11 2HD PRO 11 15.246 5.962 -1.255
64 H VAL 12 H VAL 12 11.405 8.891 -3.863
65 HA VAL 12 HA VAL 12 9.705 9.464 -1.478
66 HB VAL 12 HB VAL 12 9.687 10.810 -4.206
67 1HG1 VAL 12 1HG1 VAL 12 7.977 12.337 -3.177
68 2HG1 VAL 12 2HG1 VAL 12 7.375 10.692 -3.389
69 3HG1 VAL 12 3HG1 VAL 12 7.886 11.241 -1.791
70 1HG2 VAL 12 1HG2 VAL 12 10.260 11.989 -1.443
71 2HG2 VAL 12 2HG2 VAL 12 11.495 11.605 -2.647
72 3HG2 VAL 12 3HG2 VAL 12 10.299 12.848 -2.996
73 H GLU 13 H GLU 13 10.081 7.663 -4.461
74 HA GLU 13 HA GLU 13 7.391 6.902 -4.879
75 1HB GLU 13 1HB GLU 13 8.301 5.217 -6.323
76 2HB GLU 13 2HB GLU 13 9.316 6.652 -6.467
77 1HG GLU 13 1HG GLU 13 10.951 5.643 -4.865
78 2HG GLU 13 2HG GLU 13 9.952 4.185 -4.784
79 H ASP 14 H ASP 14 9.700 5.765 -2.481
80 HA ASP 14 HA ASP 14 8.561 3.196 -1.899
81 1HB ASP 14 1HB ASP 14 9.937 3.291 0.098
82 2HB ASP 14 2HB ASP 14 10.884 3.848 -1.276
83 H LEU 15 H LEU 15 8.311 6.422 -0.505
84 HA LEU 15 HA LEU 15 6.418 5.822 1.486
85 1HB LEU 15 1HB LEU 15 7.835 8.098 0.538
86 2HB LEU 15 2HB LEU 15 6.148 8.557 0.412
87 HG LEU 15 HG LEU 15 7.110 9.234 2.535
88 1HD1 LEU 15 1HD1 LEU 15 5.469 8.266 4.081
89 2HD1 LEU 15 2HD1 LEU 15 5.085 6.987 2.902
90 3HD1 LEU 15 3HD1 LEU 15 4.735 8.681 2.522
91 1HD2 LEU 15 1HD2 LEU 15 7.884 7.636 4.234
92 2HD2 LEU 15 2HD2 LEU 15 8.854 7.540 2.766
93 3HD2 LEU 15 3HD2 LEU 15 7.685 6.281 3.094
94 H ILE 16 H ILE 16 5.947 7.004 -1.839
95 HA ILE 16 HA ILE 16 3.099 7.100 -1.640
96 HB ILE 16 HB ILE 16 4.832 6.673 -4.110
97 1HG1 ILE 16 1HG1 ILE 16 5.329 8.810 -2.995
98 2HG1 ILE 16 2HG1 ILE 16 4.536 9.056 -4.539
99 1HG2 ILE 16 1HG2 ILE 16 2.801 7.578 -5.339
100 2HG2 ILE 16 2HG2 ILE 16 2.613 5.949 -4.678
101 3HG2 ILE 16 3HG2 ILE 16 1.864 7.323 -3.854
102 1HD1 ILE 16 1HD1 ILE 16 3.168 9.253 -1.814
103 2HD1 ILE 16 2HD1 ILE 16 3.717 10.607 -2.798
104 3HD1 ILE 16 3HD1 ILE 16 2.406 9.579 -3.394
105 H ARG 17 H ARG 17 5.292 4.330 -2.565
106 HA ARG 17 HA ARG 17 3.018 2.678 -3.089
107 1HB ARG 17 1HB ARG 17 5.414 2.162 -3.828
108 2HB ARG 17 2HB ARG 17 5.759 1.675 -2.163
109 1HG ARG 17 1HG ARG 17 3.845 -0.001 -2.363
110 2HG ARG 17 2HG ARG 17 3.695 0.453 -4.056
111 1HD ARG 17 1HD ARG 17 6.102 -0.837 -2.695
112 2HD ARG 17 2HD ARG 17 4.952 -1.652 -3.755
113 HE ARG 17 HE ARG 17 7.285 -0.245 -4.502
114 1HH1 ARG 17 1HH1 ARG 17 4.014 -0.971 -5.733
115 2HH1 ARG 17 2HH1 ARG 17 4.469 -0.627 -7.380
116 1HH2 ARG 17 1HH2 ARG 17 7.703 0.495 -6.605
117 2HH2 ARG 17 2HH2 ARG 17 6.572 0.208 -7.881
118 H PHE 18 H PHE 18 4.969 3.005 -0.107
119 HA PHE 18 HA PHE 18 3.606 1.052 1.383
120 1HB PHE 18 1HB PHE 18 5.707 2.288 1.993
121 2HB PHE 18 2HB PHE 18 4.740 3.705 2.366
122 HD1 PHE 18 HD1 PHE 18 3.173 3.668 4.346
123 HD2 PHE 18 HD2 PHE 18 5.839 0.389 3.495
124 HE1 PHE 18 HE1 PHE 18 2.909 2.850 6.669
125 HE2 PHE 18 HE2 PHE 18 5.558 -0.438 5.807
126 HZ PHE 18 HZ PHE 18 4.100 0.792 7.407
127 H TYR 19 H TYR 19 2.709 4.399 0.649
128 HA TYR 19 HA TYR 19 0.456 4.455 2.502
129 1HB TYR 19 1HB TYR 19 1.933 6.399 1.488
130 2HB TYR 19 2HB TYR 19 0.780 6.369 0.178
131 HD1 TYR 19 HD1 TYR 19 -1.813 6.477 0.974
132 HD2 TYR 19 HD2 TYR 19 1.574 7.777 3.317
133 HE1 TYR 19 HE1 TYR 19 -3.294 7.957 2.284
134 HE2 TYR 19 HE2 TYR 19 0.100 9.294 4.600
135 HH TYR 19 HH TYR 19 -3.292 9.796 3.685
136 H ASN 20 H ASN 20 0.866 4.182 -1.026
137 HA ASN 20 HA ASN 20 -1.852 4.025 -1.797
138 1HB ASN 20 1HB ASN 20 -0.093 4.296 -3.451
139 2HB ASN 20 2HB ASN 20 0.640 2.745 -3.007
140 1HD2 ASN 20 2HD2 ASN 20 0.104 1.054 -4.442
141 2HD2 ASN 20 1HD2 ASN 20 -1.411 0.989 -5.310
142 H ASP 21 H ASP 21 0.407 1.483 -0.724
143 HA ASP 21 HA ASP 21 -1.223 -0.768 -1.148
144 1HB ASP 21 1HB ASP 21 1.199 -0.743 -0.610
145 2HB ASP 21 2HB ASP 21 0.827 -0.226 1.036
146 H LEU 22 H LEU 22 -1.150 1.510 1.596
147 HA LEU 22 HA LEU 22 -2.901 -0.062 3.310
148 1HB LEU 22 1HB LEU 22 -2.034 2.860 3.318
149 2HB LEU 22 2HB LEU 22 -3.156 2.211 4.499
150 HG LEU 22 HG LEU 22 -0.454 0.892 4.065
151 1HD1 LEU 22 1HD1 LEU 22 0.036 3.238 4.553
152 2HD1 LEU 22 2HD1 LEU 22 0.454 2.213 5.928
153 3HD1 LEU 22 3HD1 LEU 22 -1.036 3.187 5.975
154 1HD2 LEU 22 1HD2 LEU 22 -2.187 -0.321 5.394
155 2HD2 LEU 22 2HD2 LEU 22 -2.288 1.068 6.495
156 3HD2 LEU 22 3HD2 LEU 22 -0.782 0.133 6.355
157 H GLN 23 H GLN 23 -3.274 2.673 1.047
158 HA GLN 23 HA GLN 23 -6.131 2.821 1.368
159 1HB GLN 23 1HB GLN 23 -4.381 3.777 -0.925
160 2HB GLN 23 2HB GLN 23 -6.089 4.193 -0.674
161 1HG GLN 23 1HG GLN 23 -5.464 5.137 1.583
162 2HG GLN 23 2HG GLN 23 -3.767 4.929 1.155
163 1HE2 GLN 23 2HE2 GLN 23 -3.614 5.816 -1.516
164 2HE2 GLN 23 1HE2 GLN 23 -4.129 7.479 -1.556
165 H GLN 24 H GLN 24 -4.063 0.718 -0.552
166 HA GLN 24 HA GLN 24 -6.002 -0.184 -2.416
167 1HB GLN 24 1HB GLN 24 -3.549 -0.595 -2.663
168 2HB GLN 24 2HB GLN 24 -3.658 -1.769 -1.342
169 1HG GLN 24 1HG GLN 24 -5.370 -3.048 -2.665
170 2HG GLN 24 2HG GLN 24 -5.148 -1.907 -3.988
171 1HE2 GLN 24 2HE2 GLN 24 -3.783 -4.589 -2.211
172 2HE2 GLN 24 1HE2 GLN 24 -2.889 -5.151 -3.603
173 H TYR 25 H TYR 25 -5.019 -1.329 0.777
174 HA TYR 25 HA TYR 25 -6.838 -3.569 1.005
175 1HB TYR 25 1HB TYR 25 -5.076 -3.424 2.572
176 2HB TYR 25 2HB TYR 25 -5.428 -1.765 2.984
177 HD1 TYR 25 HD1 TYR 25 -7.123 -1.144 4.590
178 HD2 TYR 25 HD2 TYR 25 -6.378 -5.282 3.598
179 HE1 TYR 25 HE1 TYR 25 -8.335 -1.848 6.627
180 HE2 TYR 25 HE2 TYR 25 -7.592 -5.994 5.627
181 HH TYR 25 HH TYR 25 -9.124 -5.226 7.386
182 H LEU 26 H LEU 26 -7.222 -0.122 1.923
183 HA LEU 26 HA LEU 26 -9.965 -0.423 2.545
184 1HB LEU 26 1HB LEU 26 -8.497 2.100 1.655
185 2HB LEU 26 2HB LEU 26 -10.068 2.084 2.446
186 HG LEU 26 HG LEU 26 -7.531 1.004 3.719
187 1HD1 LEU 26 1HD1 LEU 26 -8.855 3.738 4.016
188 2HD1 LEU 26 2HD1 LEU 26 -7.265 3.393 3.317
189 3HD1 LEU 26 3HD1 LEU 26 -7.513 3.116 5.038
190 1HD2 LEU 26 1HD2 LEU 26 -8.806 1.194 5.841
191 2HD2 LEU 26 2HD2 LEU 26 -9.553 0.052 4.725
192 3HD2 LEU 26 3HD2 LEU 26 -10.254 1.671 4.922
193 H ASN 27 H ASN 27 -8.644 -0.642 -0.501
194 HA ASN 27 HA ASN 27 -11.175 0.041 -1.830
195 1HB ASN 27 1HB ASN 27 -8.206 0.377 -2.452
196 2HB ASN 27 2HB ASN 27 -9.215 -0.035 -3.760
197 1HD2 ASN 27 2HD2 ASN 27 -8.396 2.438 -1.514
198 2HD2 ASN 27 1HD2 ASN 27 -9.458 3.702 -2.166
199 H VAL 28 H VAL 28 -9.576 -2.571 -0.820
200 HA VAL 28 HA VAL 28 -10.768 -4.244 -2.995
201 HB VAL 28 HB VAL 28 -8.230 -4.646 -1.382
202 1HG1 VAL 28 1HG1 VAL 28 -7.866 -6.741 -2.539
203 2HG1 VAL 28 2HG1 VAL 28 -9.449 -6.847 -1.763
204 3HG1 VAL 28 3HG1 VAL 28 -9.336 -6.541 -3.503
205 1HG2 VAL 28 1HG2 VAL 28 -7.126 -4.659 -3.601
206 2HG2 VAL 28 2HG2 VAL 28 -8.689 -4.366 -4.385
207 3HG2 VAL 28 3HG2 VAL 28 -7.969 -3.129 -3.343
208 H VAL 29 H VAL 29 -10.474 -3.449 0.456
209 HA VAL 29 HA VAL 29 -12.063 -5.778 1.250
210 HB VAL 29 HB VAL 29 -10.932 -3.367 2.691
211 1HG1 VAL 29 1HG1 VAL 29 -12.585 -5.573 4.015
212 2HG1 VAL 29 2HG1 VAL 29 -11.722 -4.266 4.837
213 3HG1 VAL 29 3HG1 VAL 29 -13.116 -3.883 3.829
214 1HG2 VAL 29 1HG2 VAL 29 -10.411 -6.341 2.963
215 2HG2 VAL 29 2HG2 VAL 29 -9.350 -5.125 2.218
216 3HG2 VAL 29 3HG2 VAL 29 -9.681 -5.063 3.942
217 H THR 30 H THR 30 -12.565 -2.297 0.772
218 HA THR 30 HA THR 30 -15.273 -2.239 1.558
219 HB THR 30 HB THR 30 -13.450 -0.486 1.141
220 HG1 THR 30 HG1 THR 30 -15.010 0.242 2.160
221 1HG2 THR 30 1HG2 THR 30 -13.369 -0.731 -1.361
222 2HG2 THR 30 2HG2 THR 30 -13.696 0.907 -0.809
223 3HG2 THR 30 3HG2 THR 30 -15.026 -0.068 -1.428
224 H ARG 31 H ARG 31 -13.823 -3.268 -1.429
225 HA ARG 31 HA ARG 31 -16.127 -2.962 -3.149
226 1HB ARG 31 1HB ARG 31 -13.947 -5.097 -3.141
227 2HB ARG 31 2HB ARG 31 -15.062 -4.853 -4.487
228 1HG ARG 31 1HG ARG 31 -13.348 -2.558 -3.468
229 2HG ARG 31 2HG ARG 31 -12.667 -3.754 -4.547
230 1HD ARG 31 1HD ARG 31 -15.292 -2.640 -5.418
231 2HD ARG 31 2HD ARG 31 -13.988 -1.472 -5.306
232 HE ARG 31 HE ARG 31 -14.192 -3.744 -7.157
233 1HH1 ARG 31 1HH1 ARG 31 -12.143 -1.100 -5.948
234 2HH1 ARG 31 2HH1 ARG 31 -11.083 -1.138 -7.303
235 1HH2 ARG 31 1HH2 ARG 31 -12.779 -3.887 -8.841
236 2HH2 ARG 31 2HH2 ARG 31 -11.335 -2.922 -8.936
237 H HIS 32 H HIS 32 -15.410 -5.159 -0.643
238 HA HIS 32 HA HIS 32 -17.761 -6.903 -1.187
239 1HB HIS 32 1HB HIS 32 -15.107 -7.219 0.161
240 2HB HIS 32 2HB HIS 32 -16.472 -7.985 0.973
241 HD1 HIS 32 HD1 HIS 32 -17.937 -9.687 -0.555
242 HD2 HIS 32 HD2 HIS 32 -14.185 -8.474 -2.031
243 HE1 HIS 32 HE1 HIS 32 -17.313 -11.336 -2.461
244 H ARG 33 H ARG 33 -16.187 -5.096 1.501
245 HA ARG 33 HA ARG 33 -18.448 -5.201 3.177
246 1HB ARG 33 1HB ARG 33 -15.999 -4.691 3.781
247 2HB ARG 33 2HB ARG 33 -16.338 -3.024 3.371
248 1HG ARG 33 1HG ARG 33 -17.663 -4.714 5.519
249 2HG ARG 33 2HG ARG 33 -16.525 -3.390 5.752
250 1HD ARG 33 1HD ARG 33 -18.323 -1.898 4.589
251 2HD ARG 33 2HD ARG 33 -19.443 -3.235 4.909
252 HE ARG 33 HE ARG 33 -18.435 -1.295 6.770
253 1HH1 ARG 33 1HH1 ARG 33 -19.860 -4.561 6.590
254 2HH1 ARG 33 2HH1 ARG 33 -19.800 -4.813 8.294
255 1HH2 ARG 33 1HH2 ARG 33 -18.534 -1.570 9.002
256 2HH2 ARG 33 2HH2 ARG 33 -18.888 -3.136 9.699
257 H TYR 34 H TYR 34 -17.311 -2.105 1.494
258 HA TYR 34 HA TYR 34 -19.907 -0.940 2.101
259 1HB TYR 34 1HB TYR 34 -17.714 0.274 1.927
260 2HB TYR 34 2HB TYR 34 -17.754 0.007 0.179
261 HD1 TYR 34 HD1 TYR 34 -19.350 1.281 -1.215
262 HD2 TYR 34 HD2 TYR 34 -19.230 1.769 3.058
263 HE1 TYR 34 HE1 TYR 34 -20.772 3.293 -1.404
264 HE2 TYR 34 HE2 TYR 34 -20.602 3.820 2.881
265 HH TYR 34 HH TYR 34 -21.995 5.046 1.428
266 1HN NH2 35 1H NH2 35 -21.268 -0.037 0.056
267 2HN NH2 35 2H NH2 35 -21.407 -1.247 -1.216
268 2HN ZAB 10 H AZO 10 14.412 2.283 -3.827
269 2HA ZAB 10 2HA AZO 10 14.635 -0.543 -2.959
270 3HA ZAB 10 3HA AZO 10 16.014 0.500 -2.553
271 HG2 ZAB 10 HG2 AZO 10 12.262 0.303 -2.301
272 HD2 ZAB 10 HD2 AZO 10 10.978 1.215 -0.398
273 HE ZAB 10 HE AZO 10 12.140 2.489 1.388
274 HG1 ZAB 10 HG1 AZO 10 15.919 1.803 -0.557
275 HJ2 ZAB 10 HJ2 AZO 10 13.031 4.797 4.229
276 HK2 ZAB 10 HK2 AZO 10 12.915 7.255 4.522
277 HL ZAB 10 HL AZO 10 14.097 8.762 2.959
278 HJ1 ZAB 10 HJ1 AZO 10 15.677 5.337 0.882
279 2HM ZAB 10 2HM AZO 10 16.052 8.908 1.357
280 3HM ZAB 10 3HM AZO 10 16.498 7.532 0.370
Start of MODEL 15
1 1H GLY 1 H GLY 1 2.228 -13.637 16.550
2 1HA GLY 1 1HA GLY 1 1.669 -12.312 14.544
3 2HA GLY 1 2HA GLY 1 2.862 -11.512 15.602
4 HA PRO 2 HA PRO 2 4.547 -12.380 11.247
5 1HB PRO 2 1HB PRO 2 4.215 -9.902 10.038
6 2HB PRO 2 2HB PRO 2 3.083 -11.275 9.906
7 1HG PRO 2 1HG PRO 2 2.911 -8.847 11.679
8 2HG PRO 2 2HG PRO 2 1.593 -9.718 10.840
9 1HD PRO 2 1HD PRO 2 2.166 -10.017 13.514
10 2HD PRO 2 2HD PRO 2 1.392 -11.283 12.510
11 H SER 3 H SER 3 6.487 -11.439 10.310
12 HA SER 3 HA SER 3 7.914 -9.383 11.795
13 1HB SER 3 1HB SER 3 9.320 -12.011 11.271
14 2HB SER 3 2HB SER 3 9.747 -10.728 12.417
15 HG SER 3 HG SER 3 8.129 -12.924 12.647
16 H GLN 4 H GLN 4 8.950 -8.088 10.226
17 HA GLN 4 HA GLN 4 9.897 -9.378 7.773
18 1HB GLN 4 1HB GLN 4 8.699 -7.924 6.279
19 2HB GLN 4 2HB GLN 4 7.559 -8.766 7.287
20 1HG GLN 4 1HG GLN 4 7.221 -6.740 8.666
21 2HG GLN 4 2HG GLN 4 8.450 -5.901 7.697
22 1HE2 GLN 4 2HE2 GLN 4 5.036 -6.512 7.897
23 2HE2 GLN 4 1HE2 GLN 4 4.684 -5.983 6.265
24 HA PRO 5 HA PRO 5 13.173 -6.538 8.525
25 1HB PRO 5 1HB PRO 5 14.356 -6.121 6.134
26 2HB PRO 5 2HB PRO 5 14.216 -7.762 6.833
27 1HG PRO 5 1HG PRO 5 12.399 -6.455 4.778
28 2HG PRO 5 2HG PRO 5 13.172 -8.074 4.698
29 1HD PRO 5 1HD PRO 5 10.611 -7.613 5.561
30 2HD PRO 5 2HD PRO 5 11.604 -8.971 6.182
31 H THR 6 H THR 6 11.253 -4.974 9.152
32 HA THR 6 HA THR 6 10.505 -2.870 7.393
33 HB THR 6 HB THR 6 9.765 -1.758 9.520
34 HG1 THR 6 HG1 THR 6 11.538 -2.804 10.704
35 1HG2 THR 6 1HG2 THR 6 8.042 -3.355 10.117
36 2HG2 THR 6 2HG2 THR 6 8.997 -4.714 9.507
37 3HG2 THR 6 3HG2 THR 6 8.323 -3.506 8.382
38 H TYR 7 H TYR 7 11.855 -1.315 6.563
39 HA TYR 7 HA TYR 7 13.652 0.087 8.369
40 1HB TYR 7 1HB TYR 7 14.980 -1.918 7.657
41 2HB TYR 7 2HB TYR 7 14.883 -1.354 5.996
42 HD1 TYR 7 HD1 TYR 7 15.916 -0.223 9.459
43 HD2 TYR 7 HD2 TYR 7 16.504 0.217 5.208
44 HE1 TYR 7 HE1 TYR 7 17.866 1.240 9.882
45 HE2 TYR 7 HE2 TYR 7 18.446 1.659 5.630
46 HH TYR 7 HH TYR 7 18.976 3.243 8.272
47 HA PRO 8 HA PRO 8 11.754 2.604 4.971
48 1HB PRO 8 1HB PRO 8 10.752 4.651 6.489
49 2HB PRO 8 2HB PRO 8 9.901 3.087 6.291
50 1HG PRO 8 1HG PRO 8 11.690 3.964 8.581
51 2HG PRO 8 2HG PRO 8 10.065 3.209 8.677
52 1HD PRO 8 1HD PRO 8 12.382 1.770 8.926
53 2HD PRO 8 2HD PRO 8 10.924 1.079 8.150
54 H GLY 9 H GLY 9 12.442 4.872 4.294
55 1HA GLY 9 1HA GLY 9 14.798 5.966 5.736
56 2HA GLY 9 2HA GLY 9 14.989 5.402 4.072
57 HA PRO 11 HA PRO 11 13.345 6.682 -4.526
58 1HB PRO 11 1HB PRO 11 12.102 4.390 -3.684
59 2HB PRO 11 2HB PRO 11 13.859 4.492 -4.008
60 1HG PRO 11 1HG PRO 11 12.473 4.699 -1.322
61 2HG PRO 11 2HG PRO 11 13.904 3.720 -1.775
62 1HD PRO 11 1HD PRO 11 14.127 6.133 -0.572
63 2HD PRO 11 2HD PRO 11 15.305 5.603 -1.811
64 H VAL 12 H VAL 12 11.634 7.930 -5.172
65 HA VAL 12 HA VAL 12 9.575 8.727 -3.282
66 HB VAL 12 HB VAL 12 9.873 9.265 -6.264
67 1HG1 VAL 12 1HG1 VAL 12 8.149 10.641 -4.147
68 2HG1 VAL 12 2HG1 VAL 12 8.367 11.197 -5.823
69 3HG1 VAL 12 3HG1 VAL 12 7.559 9.669 -5.504
70 1HG2 VAL 12 1HG2 VAL 12 11.778 10.200 -4.974
71 2HG2 VAL 12 2HG2 VAL 12 10.717 11.490 -5.544
72 3HG2 VAL 12 3HG2 VAL 12 10.636 10.961 -3.855
73 H GLU 13 H GLU 13 9.725 6.451 -6.134
74 HA GLU 13 HA GLU 13 6.901 6.019 -6.095
75 1HB GLU 13 1HB GLU 13 8.283 5.477 -8.016
76 2HB GLU 13 2HB GLU 13 9.147 4.245 -7.131
77 1HG GLU 13 1HG GLU 13 6.125 4.193 -7.527
78 2HG GLU 13 2HG GLU 13 7.244 3.502 -8.691
79 H ASP 14 H ASP 14 9.567 4.621 -4.251
80 HA ASP 14 HA ASP 14 8.162 2.410 -3.067
81 1HB ASP 14 1HB ASP 14 10.583 2.588 -2.938
82 2HB ASP 14 2HB ASP 14 10.460 4.150 -2.118
83 H LEU 15 H LEU 15 8.357 5.819 -2.298
84 HA LEU 15 HA LEU 15 7.119 5.761 0.304
85 1HB LEU 15 1HB LEU 15 8.664 7.522 -0.779
86 2HB LEU 15 2HB LEU 15 7.248 8.116 -1.653
87 HG LEU 15 HG LEU 15 7.448 7.907 1.371
88 1HD1 LEU 15 1HD1 LEU 15 9.126 9.467 0.476
89 2HD1 LEU 15 2HD1 LEU 15 7.848 10.343 1.327
90 3HD1 LEU 15 3HD1 LEU 15 7.855 10.320 -0.449
91 1HD2 LEU 15 1HD2 LEU 15 5.572 9.648 1.229
92 2HD2 LEU 15 2HD2 LEU 15 5.122 8.001 0.782
93 3HD2 LEU 15 3HD2 LEU 15 5.408 9.215 -0.483
94 H ILE 16 H ILE 16 5.982 6.793 -2.931
95 HA ILE 16 HA ILE 16 3.267 7.127 -2.401
96 HB ILE 16 HB ILE 16 4.755 6.201 -4.890
97 1HG1 ILE 16 1HG1 ILE 16 3.354 8.848 -4.424
98 2HG1 ILE 16 2HG1 ILE 16 5.006 8.589 -3.844
99 1HG2 ILE 16 1HG2 ILE 16 2.394 5.393 -5.112
100 2HG2 ILE 16 2HG2 ILE 16 1.827 7.045 -4.801
101 3HG2 ILE 16 3HG2 ILE 16 2.774 6.674 -6.250
102 1HD1 ILE 16 1HD1 ILE 16 4.112 8.424 -6.750
103 2HD1 ILE 16 2HD1 ILE 16 5.032 9.725 -5.986
104 3HD1 ILE 16 3HD1 ILE 16 5.754 8.113 -6.135
105 H ARG 17 H ARG 17 4.941 4.141 -3.469
106 HA ARG 17 HA ARG 17 2.649 2.500 -3.532
107 1HB ARG 17 1HB ARG 17 4.934 2.027 -4.572
108 2HB ARG 17 2HB ARG 17 5.555 1.732 -2.939
109 1HG ARG 17 1HG ARG 17 3.686 -0.080 -2.798
110 2HG ARG 17 2HG ARG 17 3.595 0.067 -4.558
111 1HD ARG 17 1HD ARG 17 5.990 -0.685 -2.851
112 2HD ARG 17 2HD ARG 17 5.044 -1.771 -3.883
113 HE ARG 17 HE ARG 17 6.081 0.324 -5.529
114 1HH1 ARG 17 1HH1 ARG 17 7.271 -2.393 -3.560
115 2HH1 ARG 17 2HH1 ARG 17 8.619 -2.711 -4.611
116 1HH2 ARG 17 1HH2 ARG 17 8.048 0.160 -6.546
117 2HH2 ARG 17 2HH2 ARG 17 9.129 -1.197 -6.319
118 H PHE 18 H PHE 18 4.996 2.958 -0.852
119 HA PHE 18 HA PHE 18 3.774 1.133 0.926
120 1HB PHE 18 1HB PHE 18 5.999 2.060 1.173
121 2HB PHE 18 2HB PHE 18 5.367 3.692 1.361
122 HD1 PHE 18 HD1 PHE 18 4.528 4.488 3.486
123 HD2 PHE 18 HD2 PHE 18 5.685 0.356 2.998
124 HE1 PHE 18 HE1 PHE 18 4.534 4.183 5.953
125 HE2 PHE 18 HE2 PHE 18 5.711 0.085 5.456
126 HZ PHE 18 HZ PHE 18 5.129 1.981 6.938
127 H TYR 19 H TYR 19 2.916 4.490 0.072
128 HA TYR 19 HA TYR 19 1.064 4.718 2.321
129 1HB TYR 19 1HB TYR 19 2.271 6.602 0.915
130 2HB TYR 19 2HB TYR 19 0.876 6.470 -0.136
131 HD1 TYR 19 HD1 TYR 19 -1.188 7.567 0.497
132 HD2 TYR 19 HD2 TYR 19 1.893 6.896 3.427
133 HE1 TYR 19 HE1 TYR 19 -2.481 8.890 2.169
134 HE2 TYR 19 HE2 TYR 19 0.643 8.207 5.077
135 HH TYR 19 HH TYR 19 -1.197 9.500 5.461
136 H ASN 20 H ASN 20 0.853 4.095 -1.111
137 HA ASN 20 HA ASN 20 -1.988 3.904 -1.370
138 1HB ASN 20 1HB ASN 20 -0.391 4.161 -3.264
139 2HB ASN 20 2HB ASN 20 0.162 2.500 -3.013
140 1HD2 ASN 20 2HD2 ASN 20 -0.835 1.030 -4.420
141 2HD2 ASN 20 1HD2 ASN 20 -2.515 1.200 -4.906
142 H ASP 21 H ASP 21 0.380 1.679 -0.130
143 HA ASP 21 HA ASP 21 -0.839 -0.834 -0.434
144 1HB ASP 21 1HB ASP 21 1.469 -0.178 0.541
145 2HB ASP 21 2HB ASP 21 0.648 0.036 2.070
146 H LEU 22 H LEU 22 -1.102 1.423 2.344
147 HA LEU 22 HA LEU 22 -3.128 0.074 3.742
148 1HB LEU 22 1HB LEU 22 -2.209 2.982 3.680
149 2HB LEU 22 2HB LEU 22 -3.591 2.472 4.638
150 HG LEU 22 HG LEU 22 -2.146 0.765 5.774
151 1HD1 LEU 22 1HD1 LEU 22 -0.266 0.519 4.274
152 2HD1 LEU 22 2HD1 LEU 22 0.315 1.185 5.789
153 3HD1 LEU 22 3HD1 LEU 22 0.118 2.256 4.383
154 1HD2 LEU 22 1HD2 LEU 22 -2.731 2.928 6.808
155 2HD2 LEU 22 2HD2 LEU 22 -1.308 3.683 6.064
156 3HD2 LEU 22 3HD2 LEU 22 -1.117 2.404 7.290
157 H GLN 23 H GLN 23 -3.334 2.518 1.153
158 HA GLN 23 HA GLN 23 -6.191 2.860 1.322
159 1HB GLN 23 1HB GLN 23 -4.364 3.297 -1.084
160 2HB GLN 23 2HB GLN 23 -6.029 3.842 -0.921
161 1HG GLN 23 1HG GLN 23 -5.348 5.241 1.055
162 2HG GLN 23 2HG GLN 23 -3.673 4.733 0.781
163 1HE2 GLN 23 2HE2 GLN 23 -6.428 6.155 -1.078
164 2HE2 GLN 23 1HE2 GLN 23 -5.424 7.251 -2.023
165 H GLN 24 H GLN 24 -4.106 0.518 -0.389
166 HA GLN 24 HA GLN 24 -6.163 -0.501 -2.057
167 1HB GLN 24 1HB GLN 24 -3.655 -0.745 -2.341
168 2HB GLN 24 2HB GLN 24 -3.744 -2.057 -1.142
169 1HG GLN 24 1HG GLN 24 -5.248 -3.326 -2.546
170 2HG GLN 24 2HG GLN 24 -5.469 -1.964 -3.654
171 1HE2 GLN 24 2HE2 GLN 24 -3.443 -1.164 -4.817
172 2HE2 GLN 24 1HE2 GLN 24 -2.346 -2.441 -5.349
173 H TYR 25 H TYR 25 -4.991 -1.446 1.137
174 HA TYR 25 HA TYR 25 -6.867 -3.597 1.558
175 1HB TYR 25 1HB TYR 25 -4.810 -3.349 2.891
176 2HB TYR 25 2HB TYR 25 -5.389 -1.825 3.545
177 HD1 TYR 25 HD1 TYR 25 -6.159 -1.933 5.771
178 HD2 TYR 25 HD2 TYR 25 -6.701 -5.360 3.227
179 HE1 TYR 25 HE1 TYR 25 -7.185 -3.145 7.649
180 HE2 TYR 25 HE2 TYR 25 -7.709 -6.608 5.112
181 HH TYR 25 HH TYR 25 -8.095 -6.591 7.468
182 H LEU 26 H LEU 26 -7.479 -0.296 1.221
183 HA LEU 26 HA LEU 26 -10.059 -0.558 2.631
184 1HB LEU 26 1HB LEU 26 -8.359 1.919 2.003
185 2HB LEU 26 2HB LEU 26 -9.958 2.012 2.715
186 HG LEU 26 HG LEU 26 -7.684 0.474 4.007
187 1HD1 LEU 26 1HD1 LEU 26 -7.357 2.431 5.487
188 2HD1 LEU 26 2HD1 LEU 26 -8.544 3.357 4.551
189 3HD1 LEU 26 3HD1 LEU 26 -7.015 2.845 3.808
190 1HD2 LEU 26 1HD2 LEU 26 -9.130 0.779 6.046
191 2HD2 LEU 26 2HD2 LEU 26 -9.911 -0.155 4.782
192 3HD2 LEU 26 3HD2 LEU 26 -10.349 1.548 5.037
193 H ASN 27 H ASN 27 -8.799 -0.663 -0.394
194 HA ASN 27 HA ASN 27 -11.324 0.333 -1.553
195 1HB ASN 27 1HB ASN 27 -8.414 0.331 -2.354
196 2HB ASN 27 2HB ASN 27 -9.550 -0.011 -3.606
197 1HD2 ASN 27 2HD2 ASN 27 -7.817 2.433 -2.527
198 2HD2 ASN 27 1HD2 ASN 27 -8.953 3.774 -2.646
199 H VAL 28 H VAL 28 -9.215 -2.369 -1.201
200 HA VAL 28 HA VAL 28 -10.714 -3.947 -3.241
201 HB VAL 28 HB VAL 28 -8.343 -4.614 -1.446
202 1HG1 VAL 28 1HG1 VAL 28 -8.096 -6.655 -2.861
203 2HG1 VAL 28 2HG1 VAL 28 -9.565 -6.684 -1.883
204 3HG1 VAL 28 3HG1 VAL 28 -9.670 -6.296 -3.614
205 1HG2 VAL 28 1HG2 VAL 28 -8.543 -4.102 -4.450
206 2HG2 VAL 28 2HG2 VAL 28 -7.792 -3.022 -3.261
207 3HG2 VAL 28 3HG2 VAL 28 -7.077 -4.604 -3.583
208 H VAL 29 H VAL 29 -10.423 -3.382 0.258
209 HA VAL 29 HA VAL 29 -12.084 -5.678 0.837
210 HB VAL 29 HB VAL 29 -11.151 -3.444 2.649
211 1HG1 VAL 29 1HG1 VAL 29 -12.402 -6.164 3.302
212 2HG1 VAL 29 2HG1 VAL 29 -11.775 -4.994 4.494
213 3HG1 VAL 29 3HG1 VAL 29 -13.196 -4.603 3.526
214 1HG2 VAL 29 1HG2 VAL 29 -9.290 -4.832 1.765
215 2HG2 VAL 29 2HG2 VAL 29 -9.556 -5.147 3.477
216 3HG2 VAL 29 3HG2 VAL 29 -10.141 -6.301 2.264
217 H THR 30 H THR 30 -12.746 -2.187 0.479
218 HA THR 30 HA THR 30 -15.439 -2.402 1.238
219 HB THR 30 HB THR 30 -15.528 -0.240 -0.110
220 HG1 THR 30 HG1 THR 30 -13.461 0.541 -0.742
221 1HG2 THR 30 1HG2 THR 30 -13.386 -0.542 2.055
222 2HG2 THR 30 2HG2 THR 30 -15.111 -0.245 2.318
223 3HG2 THR 30 3HG2 THR 30 -14.111 0.989 1.544
224 H ARG 31 H ARG 31 -13.826 -2.794 -1.908
225 HA ARG 31 HA ARG 31 -16.280 -3.116 -3.339
226 1HB ARG 31 1HB ARG 31 -13.984 -2.626 -4.338
227 2HB ARG 31 2HB ARG 31 -13.627 -4.356 -4.182
228 1HG ARG 31 1HG ARG 31 -15.593 -4.871 -5.636
229 2HG ARG 31 2HG ARG 31 -15.975 -3.152 -5.738
230 1HD ARG 31 1HD ARG 31 -13.484 -4.547 -6.805
231 2HD ARG 31 2HD ARG 31 -14.863 -4.012 -7.765
232 HE ARG 31 HE ARG 31 -12.607 -2.473 -6.996
233 1HH1 ARG 31 1HH1 ARG 31 -16.110 -2.077 -7.661
234 2HH1 ARG 31 2HH1 ARG 31 -15.904 -0.397 -8.067
235 1HH2 ARG 31 1HH2 ARG 31 -12.429 -0.380 -7.553
236 2HH2 ARG 31 2HH2 ARG 31 -13.780 0.597 -8.062
237 H HIS 32 H HIS 32 -14.688 -5.275 -1.236
238 HA HIS 32 HA HIS 32 -16.360 -7.558 -2.200
239 1HB HIS 32 1HB HIS 32 -13.606 -7.375 -1.381
240 2HB HIS 32 2HB HIS 32 -14.443 -8.364 -0.197
241 HD1 HIS 32 HD1 HIS 32 -15.040 -10.845 -0.984
242 HD2 HIS 32 HD2 HIS 32 -13.938 -8.140 -4.048
243 HE1 HIS 32 HE1 HIS 32 -14.802 -12.214 -3.096
244 H ARG 33 H ARG 33 -16.046 -5.419 0.571
245 HA ARG 33 HA ARG 33 -18.061 -7.125 2.004
246 1HB ARG 33 1HB ARG 33 -15.991 -5.295 3.249
247 2HB ARG 33 2HB ARG 33 -17.016 -6.453 4.074
248 1HG ARG 33 1HG ARG 33 -14.725 -7.145 2.175
249 2HG ARG 33 2HG ARG 33 -14.677 -7.147 3.932
250 1HD ARG 33 1HD ARG 33 -16.280 -8.997 4.049
251 2HD ARG 33 2HD ARG 33 -16.537 -8.942 2.302
252 HE ARG 33 HE ARG 33 -14.670 -10.193 1.988
253 1HH1 ARG 33 1HH1 ARG 33 -14.461 -8.938 5.334
254 2HH1 ARG 33 2HH1 ARG 33 -12.856 -9.546 5.569
255 1HH2 ARG 33 1HH2 ARG 33 -12.642 -11.073 2.375
256 2HH2 ARG 33 2HH2 ARG 33 -11.863 -10.924 3.938
257 H TYR 34 H TYR 34 -17.504 -3.789 0.808
258 HA TYR 34 HA TYR 34 -19.445 -2.757 2.740
259 1HB TYR 34 1HB TYR 34 -17.553 -1.360 2.057
260 2HB TYR 34 2HB TYR 34 -18.102 -1.402 0.386
261 HD1 TYR 34 HD1 TYR 34 -19.018 0.645 -0.302
262 HD2 TYR 34 HD2 TYR 34 -19.821 -0.792 3.695
263 HE1 TYR 34 HE1 TYR 34 -20.649 2.465 0.034
264 HE2 TYR 34 HE2 TYR 34 -21.501 0.980 3.996
265 HH TYR 34 HH TYR 34 -22.600 2.746 3.031
266 1HN NH2 35 1H NH2 35 -19.814 -4.558 -0.230
267 2HN NH2 35 2H NH2 35 -21.392 -3.908 -0.576
268 2HN ZAB 10 H AZO 10 13.318 7.658 6.194
269 2HA ZAB 10 2HA AZO 10 11.962 9.246 4.228
270 3HA ZAB 10 3HA AZO 10 12.381 9.742 5.885
271 HG2 ZAB 10 HG2 AZO 10 15.401 9.571 5.784
272 HD2 ZAB 10 HD2 AZO 10 17.147 11.021 4.806
273 HE ZAB 10 HE AZO 10 16.616 12.516 2.905
274 HG1 ZAB 10 HG1 AZO 10 12.535 11.119 2.937
275 HJ2 ZAB 10 HJ2 AZO 10 16.352 13.815 -1.074
276 HK2 ZAB 10 HK2 AZO 10 17.410 12.412 -2.815
277 HL ZAB 10 HL AZO 10 16.912 9.988 -2.938
278 HJ1 ZAB 10 HJ1 AZO 10 14.317 10.361 0.498
279 2HM ZAB 10 2HM AZO 10 16.156 7.992 -1.516
280 3HM ZAB 10 3HM AZO 10 14.867 8.228 -0.325
Start of MODEL 16
1 1H GLY 1 H GLY 1 19.197 -9.755 15.771
2 1HA GLY 1 1HA GLY 1 16.433 -10.233 16.719
3 2HA GLY 1 2HA GLY 1 17.080 -8.662 16.225
4 HA PRO 2 HA PRO 2 15.120 -11.129 12.629
5 1HB PRO 2 1HB PRO 2 12.712 -9.826 12.378
6 2HB PRO 2 2HB PRO 2 12.968 -11.237 13.445
7 1HG PRO 2 1HG PRO 2 13.040 -8.301 14.192
8 2HG PRO 2 2HG PRO 2 12.149 -9.623 15.012
9 1HD PRO 2 1HD PRO 2 14.564 -8.726 15.865
10 2HD PRO 2 2HD PRO 2 14.150 -10.471 15.957
11 H SER 3 H SER 3 14.562 -10.203 10.478
12 HA SER 3 HA SER 3 16.415 -8.241 9.685
13 1HB SER 3 1HB SER 3 15.510 -10.104 8.279
14 2HB SER 3 2HB SER 3 13.970 -9.256 8.170
15 HG SER 3 HG SER 3 16.503 -8.288 7.295
16 H GLN 4 H GLN 4 12.828 -8.036 9.654
17 HA GLN 4 HA GLN 4 11.397 -6.316 9.445
18 1HB GLN 4 1HB GLN 4 13.039 -5.341 11.805
19 2HB GLN 4 2HB GLN 4 11.433 -4.741 11.340
20 1HG GLN 4 1HG GLN 4 10.566 -7.104 11.489
21 2HG GLN 4 2HG GLN 4 12.125 -7.590 12.156
22 1HE2 GLN 4 2HE2 GLN 4 12.792 -5.690 14.055
23 2HE2 GLN 4 1HE2 GLN 4 11.489 -5.525 15.203
24 HA PRO 5 HA PRO 5 14.320 -3.578 7.046
25 1HB PRO 5 1HB PRO 5 13.401 -4.086 4.537
26 2HB PRO 5 2HB PRO 5 14.565 -5.143 5.366
27 1HG PRO 5 1HG PRO 5 11.581 -5.512 5.086
28 2HG PRO 5 2HG PRO 5 12.892 -6.719 4.876
29 1HD PRO 5 1HD PRO 5 11.412 -6.419 7.186
30 2HD PRO 5 2HD PRO 5 13.093 -7.045 7.140
31 H THR 6 H THR 6 13.734 -1.472 7.032
32 HA THR 6 HA THR 6 11.111 -0.621 6.145
33 HB THR 6 HB THR 6 10.609 -1.165 8.394
34 HG1 THR 6 HG1 THR 6 10.958 1.500 8.907
35 1HG2 THR 6 1HG2 THR 6 12.732 -1.292 9.529
36 2HG2 THR 6 2HG2 THR 6 11.769 -0.083 10.364
37 3HG2 THR 6 3HG2 THR 6 13.073 0.421 9.263
38 H TYR 7 H TYR 7 11.164 1.970 6.528
39 HA TYR 7 HA TYR 7 13.851 2.980 5.737
40 1HB TYR 7 1HB TYR 7 11.217 3.489 4.327
41 2HB TYR 7 2HB TYR 7 12.678 4.431 4.077
42 HD1 TYR 7 HD1 TYR 7 11.112 1.111 3.540
43 HD2 TYR 7 HD2 TYR 7 14.581 3.578 2.844
44 HE1 TYR 7 HE1 TYR 7 11.894 -0.486 1.820
45 HE2 TYR 7 HE2 TYR 7 15.364 1.991 1.124
46 HH TYR 7 HH TYR 7 14.669 0.233 -0.247
47 HA PRO 8 HA PRO 8 11.926 5.594 9.082
48 1HB PRO 8 1HB PRO 8 13.954 5.589 10.908
49 2HB PRO 8 2HB PRO 8 12.821 4.217 10.730
50 1HG PRO 8 1HG PRO 8 15.559 4.512 9.447
51 2HG PRO 8 2HG PRO 8 14.948 3.147 10.456
52 1HD PRO 8 1HD PRO 8 14.840 3.036 7.748
53 2HD PRO 8 2HD PRO 8 13.483 2.430 8.740
54 H GLY 9 H GLY 9 13.668 6.171 6.549
55 1HA GLY 9 1HA GLY 9 14.339 8.917 7.194
56 2HA GLY 9 2HA GLY 9 15.734 7.932 6.695
57 HA PRO 11 HA PRO 11 11.789 10.609 -3.889
58 1HB PRO 11 1HB PRO 11 11.779 7.884 -3.508
59 2HB PRO 11 2HB PRO 11 13.268 8.863 -3.617
60 1HG PRO 11 1HG PRO 11 11.863 7.922 -1.096
61 2HG PRO 11 2HG PRO 11 13.600 7.827 -1.493
62 1HD PRO 11 1HD PRO 11 12.538 9.799 0.048
63 2HD PRO 11 2HD PRO 11 13.886 10.123 -1.066
64 H VAL 12 H VAL 12 9.687 11.502 -3.986
65 HA VAL 12 HA VAL 12 7.505 10.633 -2.480
66 HB VAL 12 HB VAL 12 7.248 11.807 -5.267
67 1HG1 VAL 12 1HG1 VAL 12 5.253 12.915 -4.284
68 2HG1 VAL 12 2HG1 VAL 12 5.121 11.161 -4.299
69 3HG1 VAL 12 3HG1 VAL 12 5.511 11.988 -2.779
70 1HG2 VAL 12 1HG2 VAL 12 7.815 13.267 -2.648
71 2HG2 VAL 12 2HG2 VAL 12 8.863 13.217 -4.076
72 3HG2 VAL 12 3HG2 VAL 12 7.308 14.047 -4.160
73 H GLU 13 H GLU 13 8.911 9.057 -5.313
74 HA GLU 13 HA GLU 13 6.641 7.446 -5.993
75 1HB GLU 13 1HB GLU 13 8.744 7.857 -7.363
76 2HB GLU 13 2HB GLU 13 9.590 6.726 -6.294
77 1HG GLU 13 1HG GLU 13 7.917 4.966 -6.910
78 2HG GLU 13 2HG GLU 13 7.117 6.118 -7.982
79 H ASP 14 H ASP 14 9.231 7.107 -3.564
80 HA ASP 14 HA ASP 14 8.535 4.406 -2.750
81 1HB ASP 14 1HB ASP 14 10.841 5.302 -2.603
82 2HB ASP 14 2HB ASP 14 10.264 6.570 -1.515
83 H LEU 15 H LEU 15 7.592 7.670 -1.923
84 HA LEU 15 HA LEU 15 6.436 7.027 0.612
85 1HB LEU 15 1HB LEU 15 7.406 9.289 -0.304
86 2HB LEU 15 2HB LEU 15 5.854 9.448 -1.140
87 HG LEU 15 HG LEU 15 4.792 8.958 1.138
88 1HD1 LEU 15 1HD1 LEU 15 6.827 8.184 2.353
89 2HD1 LEU 15 2HD1 LEU 15 6.160 9.628 3.107
90 3HD1 LEU 15 3HD1 LEU 15 7.594 9.754 2.077
91 1HD2 LEU 15 1HD2 LEU 15 4.749 11.197 0.077
92 2HD2 LEU 15 2HD2 LEU 15 6.311 11.565 0.844
93 3HD2 LEU 15 3HD2 LEU 15 4.875 11.302 1.842
94 H ILE 16 H ILE 16 5.168 7.608 -2.704
95 HA ILE 16 HA ILE 16 2.412 7.243 -1.958
96 HB ILE 16 HB ILE 16 3.817 7.117 -4.649
97 1HG1 ILE 16 1HG1 ILE 16 3.830 9.347 -3.729
98 2HG1 ILE 16 2HG1 ILE 16 2.666 9.285 -5.038
99 1HG2 ILE 16 1HG2 ILE 16 0.815 6.997 -4.127
100 2HG2 ILE 16 2HG2 ILE 16 1.567 7.315 -5.707
101 3HG2 ILE 16 3HG2 ILE 16 1.820 5.765 -4.917
102 1HD1 ILE 16 1HD1 ILE 16 2.022 9.335 -2.066
103 2HD1 ILE 16 2HD1 ILE 16 1.860 10.646 -3.226
104 3HD1 ILE 16 3HD1 ILE 16 0.816 9.221 -3.376
105 H ARG 17 H ARG 17 4.901 4.888 -3.160
106 HA ARG 17 HA ARG 17 2.985 2.790 -3.357
107 1HB ARG 17 1HB ARG 17 5.192 2.542 -4.357
108 2HB ARG 17 2HB ARG 17 5.981 2.757 -2.799
109 1HG ARG 17 1HG ARG 17 4.843 0.581 -2.032
110 2HG ARG 17 2HG ARG 17 4.318 0.364 -3.712
111 1HD ARG 17 1HD ARG 17 7.189 0.584 -2.707
112 2HD ARG 17 2HD ARG 17 6.380 -0.904 -3.109
113 HE ARG 17 HE ARG 17 7.382 1.185 -4.939
114 1HH1 ARG 17 1HH1 ARG 17 5.577 -1.863 -4.612
115 2HH1 ARG 17 2HH1 ARG 17 5.849 -2.341 -6.257
116 1HH2 ARG 17 1HH2 ARG 17 7.718 0.549 -7.123
117 2HH2 ARG 17 2HH2 ARG 17 7.151 -0.996 -7.678
118 H PHE 18 H PHE 18 4.976 3.781 -0.578
119 HA PHE 18 HA PHE 18 4.050 1.819 1.236
120 1HB PHE 18 1HB PHE 18 5.996 3.306 1.545
121 2HB PHE 18 2HB PHE 18 4.943 4.706 1.676
122 HD1 PHE 18 HD1 PHE 18 3.802 5.233 3.771
123 HD2 PHE 18 HD2 PHE 18 6.039 1.573 3.331
124 HE1 PHE 18 HE1 PHE 18 3.766 4.906 6.222
125 HE2 PHE 18 HE2 PHE 18 6.029 1.278 5.788
126 HZ PHE 18 HZ PHE 18 4.905 2.949 7.242
127 H TYR 19 H TYR 19 2.608 4.879 0.172
128 HA TYR 19 HA TYR 19 0.572 4.987 2.223
129 1HB TYR 19 1HB TYR 19 1.540 6.861 0.722
130 2HB TYR 19 2HB TYR 19 0.480 6.289 -0.536
131 HD1 TYR 19 HD1 TYR 19 -1.872 6.812 -0.526
132 HD2 TYR 19 HD2 TYR 19 0.592 7.767 2.883
133 HE1 TYR 19 HE1 TYR 19 -3.702 8.206 0.412
134 HE2 TYR 19 HE2 TYR 19 -1.205 9.192 3.792
135 HH TYR 19 HH TYR 19 -3.320 10.180 3.351
136 H ASN 20 H ASN 20 0.691 3.980 -1.127
137 HA ASN 20 HA ASN 20 -2.010 3.324 -1.582
138 1HB ASN 20 1HB ASN 20 -0.297 3.586 -3.353
139 2HB ASN 20 2HB ASN 20 0.415 2.036 -2.883
140 1HD2 ASN 20 2HD2 ASN 20 -0.131 0.624 -4.606
141 2HD2 ASN 20 1HD2 ASN 20 -1.725 0.580 -5.316
142 H ASP 21 H ASP 21 0.529 1.317 -0.066
143 HA ASP 21 HA ASP 21 -0.774 -1.201 -0.355
144 1HB ASP 21 1HB ASP 21 1.556 -0.826 0.588
145 2HB ASP 21 2HB ASP 21 0.800 -0.365 2.116
146 H LEU 22 H LEU 22 -1.161 1.310 2.138
147 HA LEU 22 HA LEU 22 -3.245 -0.065 3.603
148 1HB LEU 22 1HB LEU 22 -2.426 2.862 3.532
149 2HB LEU 22 2HB LEU 22 -3.575 2.174 4.679
150 HG LEU 22 HG LEU 22 -0.685 1.213 4.433
151 1HD1 LEU 22 1HD1 LEU 22 -0.205 2.531 6.420
152 2HD1 LEU 22 2HD1 LEU 22 -1.861 3.194 6.411
153 3HD1 LEU 22 3HD1 LEU 22 -0.728 3.577 5.084
154 1HD2 LEU 22 1HD2 LEU 22 -2.784 0.812 6.620
155 2HD2 LEU 22 2HD2 LEU 22 -1.088 0.286 6.703
156 3HD2 LEU 22 3HD2 LEU 22 -2.166 -0.432 5.513
157 H GLN 23 H GLN 23 -3.219 2.334 0.944
158 HA GLN 23 HA GLN 23 -6.064 2.773 0.999
159 1HB GLN 23 1HB GLN 23 -4.143 3.057 -1.353
160 2HB GLN 23 2HB GLN 23 -5.813 3.600 -1.318
161 1HG GLN 23 1HG GLN 23 -5.191 5.038 0.711
162 2HG GLN 23 2HG GLN 23 -3.503 4.711 0.297
163 1HE2 GLN 23 2HE2 GLN 23 -5.991 6.944 -0.197
164 2HE2 GLN 23 1HE2 GLN 23 -5.541 7.555 -1.751
165 H GLN 24 H GLN 24 -4.050 0.277 -0.571
166 HA GLN 24 HA GLN 24 -6.028 -0.814 -2.281
167 1HB GLN 24 1HB GLN 24 -3.584 -1.256 -2.444
168 2HB GLN 24 2HB GLN 24 -3.694 -2.238 -0.977
169 1HG GLN 24 1HG GLN 24 -5.292 -3.762 -2.087
170 2HG GLN 24 2HG GLN 24 -5.257 -2.762 -3.544
171 1HE2 GLN 24 2HE2 GLN 24 -2.953 -2.508 -4.559
172 2HE2 GLN 24 1HE2 GLN 24 -2.074 -4.034 -4.610
173 H TYR 25 H TYR 25 -5.101 -1.490 1.047
174 HA TYR 25 HA TYR 25 -6.873 -3.613 1.618
175 1HB TYR 25 1HB TYR 25 -4.957 -1.994 2.981
176 2HB TYR 25 2HB TYR 25 -6.439 -1.748 3.858
177 HD1 TYR 25 HD1 TYR 25 -7.285 -3.462 5.330
178 HD2 TYR 25 HD2 TYR 25 -3.996 -4.283 2.664
179 HE1 TYR 25 HE1 TYR 25 -6.768 -5.527 6.601
180 HE2 TYR 25 HE2 TYR 25 -3.433 -6.297 3.952
181 HH TYR 25 HH TYR 25 -4.965 -6.965 7.069
182 H LEU 26 H LEU 26 -7.607 -0.321 1.062
183 HA LEU 26 HA LEU 26 -10.332 -0.577 2.221
184 1HB LEU 26 1HB LEU 26 -8.663 1.874 1.544
185 2HB LEU 26 2HB LEU 26 -10.313 1.936 2.148
186 HG LEU 26 HG LEU 26 -8.039 0.613 3.706
187 1HD1 LEU 26 1HD1 LEU 26 -7.919 2.672 5.042
188 2HD1 LEU 26 2HD1 LEU 26 -9.033 3.474 3.913
189 3HD1 LEU 26 3HD1 LEU 26 -7.430 2.912 3.359
190 1HD2 LEU 26 1HD2 LEU 26 -9.524 0.924 5.643
191 2HD2 LEU 26 2HD2 LEU 26 -10.294 -0.076 4.414
192 3HD2 LEU 26 3HD2 LEU 26 -10.774 1.629 4.600
193 H ASN 27 H ASN 27 -8.650 -0.813 -0.626
194 HA ASN 27 HA ASN 27 -10.979 -0.080 -2.270
195 1HB ASN 27 1HB ASN 27 -8.047 0.227 -2.604
196 2HB ASN 27 2HB ASN 27 -8.707 -0.680 -3.935
197 1HD2 ASN 27 2HD2 ASN 27 -7.532 1.962 -3.974
198 2HD2 ASN 27 1HD2 ASN 27 -8.743 2.779 -4.895
199 H VAL 28 H VAL 28 -9.546 -2.795 -1.046
200 HA VAL 28 HA VAL 28 -10.826 -4.459 -3.163
201 HB VAL 28 HB VAL 28 -8.352 -4.958 -1.434
202 1HG1 VAL 28 1HG1 VAL 28 -9.432 -7.115 -1.838
203 2HG1 VAL 28 2HG1 VAL 28 -9.596 -6.754 -3.572
204 3HG1 VAL 28 3HG1 VAL 28 -7.994 -6.997 -2.837
205 1HG2 VAL 28 1HG2 VAL 28 -7.136 -4.940 -3.612
206 2HG2 VAL 28 2HG2 VAL 28 -8.643 -4.498 -4.439
207 3HG2 VAL 28 3HG2 VAL 28 -7.882 -3.385 -3.282
208 H VAL 29 H VAL 29 -10.854 -3.572 0.117
209 HA VAL 29 HA VAL 29 -12.379 -6.030 0.846
210 HB VAL 29 HB VAL 29 -11.195 -3.812 2.527
211 1HG1 VAL 29 1HG1 VAL 29 -12.490 -6.440 3.378
212 2HG1 VAL 29 2HG1 VAL 29 -11.587 -5.342 4.422
213 3HG1 VAL 29 3HG1 VAL 29 -13.111 -4.802 3.707
214 1HG2 VAL 29 1HG2 VAL 29 -9.563 -5.546 3.217
215 2HG2 VAL 29 2HG2 VAL 29 -10.264 -6.675 2.039
216 3HG2 VAL 29 3HG2 VAL 29 -9.437 -5.199 1.499
217 H THR 30 H THR 30 -12.689 -2.529 1.379
218 HA THR 30 HA THR 30 -15.504 -2.727 1.878
219 HB THR 30 HB THR 30 -14.858 -0.058 1.140
220 HG1 THR 30 HG1 THR 30 -13.039 0.364 2.315
221 1HG2 THR 30 1HG2 THR 30 -16.435 -0.760 2.894
222 2HG2 THR 30 2HG2 THR 30 -15.251 0.400 3.510
223 3HG2 THR 30 3HG2 THR 30 -15.092 -1.338 3.888
224 H ARG 31 H ARG 31 -13.651 -2.455 -1.044
225 HA ARG 31 HA ARG 31 -15.774 -1.513 -2.735
226 1HB ARG 31 1HB ARG 31 -13.188 -1.531 -3.013
227 2HB ARG 31 2HB ARG 31 -13.373 -3.196 -3.567
228 1HG ARG 31 1HG ARG 31 -13.168 -1.711 -5.460
229 2HG ARG 31 2HG ARG 31 -14.795 -2.365 -5.466
230 1HD ARG 31 1HD ARG 31 -14.787 0.028 -5.991
231 2HD ARG 31 2HD ARG 31 -15.663 -0.257 -4.490
232 HE ARG 31 HE ARG 31 -12.871 0.327 -4.047
233 1HH1 ARG 31 1HH1 ARG 31 -15.844 1.922 -5.069
234 2HH1 ARG 31 2HH1 ARG 31 -15.423 3.495 -4.507
235 1HH2 ARG 31 1HH2 ARG 31 -12.220 2.374 -3.340
236 2HH2 ARG 31 2HH2 ARG 31 -13.312 3.738 -3.380
237 H HIS 32 H HIS 32 -15.900 -4.232 -1.008
238 HA HIS 32 HA HIS 32 -17.363 -5.777 -3.068
239 1HB HIS 32 1HB HIS 32 -14.973 -6.568 -2.404
240 2HB HIS 32 2HB HIS 32 -15.672 -6.999 -0.856
241 HD1 HIS 32 HD1 HIS 32 -18.417 -8.330 -2.129
242 HD2 HIS 32 HD2 HIS 32 -14.386 -8.935 -3.259
243 HE1 HIS 32 HE1 HIS 32 -18.320 -10.596 -3.313
244 H ARG 33 H ARG 33 -17.966 -3.759 -0.777
245 HA ARG 33 HA ARG 33 -20.234 -5.212 0.366
246 1HB ARG 33 1HB ARG 33 -18.423 -5.890 1.909
247 2HB ARG 33 2HB ARG 33 -17.943 -4.213 2.115
248 1HG ARG 33 1HG ARG 33 -19.107 -4.923 4.067
249 2HG ARG 33 2HG ARG 33 -20.087 -3.718 3.266
250 1HD ARG 33 1HD ARG 33 -21.559 -5.450 4.025
251 2HD ARG 33 2HD ARG 33 -21.480 -5.581 2.268
252 HE ARG 33 HE ARG 33 -20.617 -7.653 2.459
253 1HH1 ARG 33 1HH1 ARG 33 -20.146 -6.012 5.613
254 2HH1 ARG 33 2HH1 ARG 33 -19.629 -7.418 6.439
255 1HH2 ARG 33 1HH2 ARG 33 -19.813 -9.554 3.597
256 2HH2 ARG 33 2HH2 ARG 33 -19.296 -9.429 5.236
257 H TYR 34 H TYR 34 -18.358 -2.143 0.189
258 HA TYR 34 HA TYR 34 -20.756 -0.660 1.062
259 1HB TYR 34 1HB TYR 34 -18.692 -0.462 2.383
260 2HB TYR 34 2HB TYR 34 -17.808 0.049 0.939
261 HD1 TYR 34 HD1 TYR 34 -17.004 2.120 1.772
262 HD2 TYR 34 HD2 TYR 34 -21.253 1.271 1.895
263 HE1 TYR 34 HE1 TYR 34 -17.462 4.484 2.292
264 HE2 TYR 34 HE2 TYR 34 -21.705 3.616 2.406
265 HH TYR 34 HH TYR 34 -20.693 5.762 2.227
266 1HN NH2 35 1H NH2 35 -20.790 -1.786 -1.576
267 2HN NH2 35 2H NH2 35 -20.684 -0.451 -2.697
268 2HN ZAB 10 H AZO 10 15.328 6.562 4.649
269 2HA ZAB 10 2HA AZO 10 14.301 6.228 2.560
270 3HA ZAB 10 3HA AZO 10 13.423 7.764 2.705
271 HG2 ZAB 10 HG2 AZO 10 16.057 6.199 1.054
272 HD2 ZAB 10 HD2 AZO 10 17.947 7.331 -0.121
273 HE ZAB 10 HE AZO 10 18.382 9.749 0.264
274 HG1 ZAB 10 HG1 AZO 10 15.122 9.881 3.078
275 HJ2 ZAB 10 HJ2 AZO 10 17.453 13.828 -0.698
276 HK2 ZAB 10 HK2 AZO 10 15.763 14.819 -2.226
277 HL ZAB 10 HL AZO 10 13.377 14.222 -1.997
278 HJ1 ZAB 10 HJ1 AZO 10 14.324 11.686 1.358
279 2HM ZAB 10 2HM AZO 10 12.064 11.853 0.629
280 3HM ZAB 10 3HM AZO 10 11.658 13.472 0.036
Start of MODEL 17
1 1H GLY 1 H GLY 1 -2.668 -14.952 1.981
2 1HA GLY 1 1HA GLY 1 -1.104 -15.249 3.958
3 2HA GLY 1 2HA GLY 1 -0.038 -14.145 3.063
4 HA PRO 2 HA PRO 2 -4.102 -11.744 4.144
5 1HB PRO 2 1HB PRO 2 -5.610 -12.656 6.260
6 2HB PRO 2 2HB PRO 2 -5.833 -13.163 4.564
7 1HG PRO 2 1HG PRO 2 -4.245 -14.606 6.701
8 2HG PRO 2 2HG PRO 2 -5.508 -15.276 5.624
9 1HD PRO 2 1HD PRO 2 -2.904 -15.534 4.994
10 2HD PRO 2 2HD PRO 2 -4.090 -15.118 3.726
11 H SER 3 H SER 3 -1.737 -12.910 6.450
12 HA SER 3 HA SER 3 -2.191 -11.234 8.599
13 1HB SER 3 1HB SER 3 0.354 -11.278 8.859
14 2HB SER 3 2HB SER 3 -0.509 -12.820 8.863
15 HG SER 3 HG SER 3 1.525 -12.346 7.489
16 H GLN 4 H GLN 4 -0.896 -10.284 5.497
17 HA GLN 4 HA GLN 4 0.292 -8.376 4.854
18 1HB GLN 4 1HB GLN 4 -2.641 -7.828 5.248
19 2HB GLN 4 2HB GLN 4 -1.571 -6.618 4.498
20 1HG GLN 4 1HG GLN 4 -0.876 -8.137 2.766
21 2HG GLN 4 2HG GLN 4 -1.596 -9.520 3.581
22 1HE2 GLN 4 2HE2 GLN 4 -2.860 -10.128 1.697
23 2HE2 GLN 4 1HE2 GLN 4 -4.254 -9.190 1.275
24 HA PRO 5 HA PRO 5 1.145 -6.667 9.025
25 1HB PRO 5 1HB PRO 5 3.837 -7.077 9.107
26 2HB PRO 5 2HB PRO 5 2.628 -8.351 9.484
27 1HG PRO 5 1HG PRO 5 4.080 -7.898 6.867
28 2HG PRO 5 2HG PRO 5 3.874 -9.426 7.766
29 1HD PRO 5 1HD PRO 5 2.241 -8.728 5.704
30 2HD PRO 5 2HD PRO 5 1.638 -9.624 7.132
31 H THR 6 H THR 6 0.774 -4.514 8.717
32 HA THR 6 HA THR 6 1.991 -2.894 6.722
33 HB THR 6 HB THR 6 1.022 -1.129 8.451
34 HG1 THR 6 HG1 THR 6 -0.231 -1.915 9.951
35 1HG2 THR 6 1HG2 THR 6 -1.268 -1.552 7.546
36 2HG2 THR 6 2HG2 THR 6 -0.713 -3.132 6.948
37 3HG2 THR 6 3HG2 THR 6 -0.023 -1.640 6.287
38 H TYR 7 H TYR 7 3.537 -1.134 7.155
39 HA TYR 7 HA TYR 7 5.268 -1.555 9.550
40 1HB TYR 7 1HB TYR 7 6.203 -2.605 7.452
41 2HB TYR 7 2HB TYR 7 6.317 -0.998 6.766
42 HD1 TYR 7 HD1 TYR 7 7.691 -3.396 9.189
43 HD2 TYR 7 HD2 TYR 7 7.906 0.700 7.838
44 HE1 TYR 7 HE1 TYR 7 9.831 -3.120 10.375
45 HE2 TYR 7 HE2 TYR 7 10.050 0.984 9.039
46 HH TYR 7 HH TYR 7 11.299 -1.355 11.278
47 HA PRO 8 HA PRO 8 3.773 2.803 9.108
48 1HB PRO 8 1HB PRO 8 3.226 3.324 11.735
49 2HB PRO 8 2HB PRO 8 2.114 2.388 10.700
50 1HG PRO 8 1HG PRO 8 4.215 1.317 12.611
51 2HG PRO 8 2HG PRO 8 2.482 0.866 12.509
52 1HD PRO 8 1HD PRO 8 4.422 -0.596 11.276
53 2HD PRO 8 2HD PRO 8 2.820 -0.357 10.513
54 H GLY 9 H GLY 9 4.661 4.827 10.189
55 1HA GLY 9 1HA GLY 9 6.312 5.958 11.466
56 2HA GLY 9 2HA GLY 9 7.357 4.538 11.412
57 HA PRO 11 HA PRO 11 13.286 7.178 -0.175
58 1HB PRO 11 1HB PRO 11 11.230 5.464 -0.726
59 2HB PRO 11 2HB PRO 11 12.598 5.026 0.338
60 1HG PRO 11 1HG PRO 11 9.849 5.962 1.162
61 2HG PRO 11 2HG PRO 11 10.797 4.602 1.803
62 1HD PRO 11 1HD PRO 11 10.726 7.061 3.010
63 2HD PRO 11 2HD PRO 11 12.181 6.025 3.044
64 H VAL 12 H VAL 12 12.084 7.090 -2.301
65 HA VAL 12 HA VAL 12 10.142 9.340 -2.540
66 HB VAL 12 HB VAL 12 12.507 8.501 -4.229
67 1HG1 VAL 12 1HG1 VAL 12 10.277 10.373 -5.065
68 2HG1 VAL 12 2HG1 VAL 12 11.846 10.209 -5.896
69 3HG1 VAL 12 3HG1 VAL 12 10.729 8.849 -5.857
70 1HG2 VAL 12 1HG2 VAL 12 13.175 10.839 -3.961
71 2HG2 VAL 12 2HG2 VAL 12 11.697 11.169 -3.026
72 3HG2 VAL 12 3HG2 VAL 12 12.944 10.079 -2.381
73 H GLU 13 H GLU 13 11.112 6.482 -4.603
74 HA GLU 13 HA GLU 13 8.321 6.229 -5.407
75 1HB GLU 13 1HB GLU 13 10.838 4.580 -5.870
76 2HB GLU 13 2HB GLU 13 9.248 3.992 -6.359
77 1HG GLU 13 1HG GLU 13 10.378 6.679 -7.251
78 2HG GLU 13 2HG GLU 13 10.501 5.198 -8.187
79 H ASP 14 H ASP 14 10.442 4.389 -3.176
80 HA ASP 14 HA ASP 14 8.473 2.491 -2.517
81 1HB ASP 14 1HB ASP 14 11.058 2.654 -1.921
82 2HB ASP 14 2HB ASP 14 10.434 3.301 -0.397
83 H LEU 15 H LEU 15 8.749 5.823 -1.472
84 HA LEU 15 HA LEU 15 7.120 5.641 0.873
85 1HB LEU 15 1HB LEU 15 8.561 7.573 0.535
86 2HB LEU 15 2HB LEU 15 7.801 7.933 -1.016
87 HG LEU 15 HG LEU 15 5.719 8.512 0.060
88 1HD1 LEU 15 1HD1 LEU 15 5.702 7.058 2.044
89 2HD1 LEU 15 2HD1 LEU 15 5.639 8.728 2.574
90 3HD1 LEU 15 3HD1 LEU 15 7.178 7.832 2.663
91 1HD2 LEU 15 1HD2 LEU 15 6.471 10.547 1.250
92 2HD2 LEU 15 2HD2 LEU 15 7.352 10.248 -0.248
93 3HD2 LEU 15 3HD2 LEU 15 8.120 9.888 1.313
94 H ILE 16 H ILE 16 6.469 6.265 -2.604
95 HA ILE 16 HA ILE 16 3.651 6.760 -2.223
96 HB ILE 16 HB ILE 16 5.188 5.846 -4.698
97 1HG1 ILE 16 1HG1 ILE 16 6.017 7.983 -3.978
98 2HG1 ILE 16 2HG1 ILE 16 5.039 8.206 -5.410
99 1HG2 ILE 16 1HG2 ILE 16 3.228 6.740 -5.975
100 2HG2 ILE 16 2HG2 ILE 16 2.842 5.311 -5.013
101 3HG2 ILE 16 3HG2 ILE 16 2.342 6.915 -4.443
102 1HD1 ILE 16 1HD1 ILE 16 3.164 9.039 -3.956
103 2HD1 ILE 16 2HD1 ILE 16 4.254 8.902 -2.551
104 3HD1 ILE 16 3HD1 ILE 16 4.636 10.019 -3.869
105 H ARG 17 H ARG 17 5.619 3.837 -2.844
106 HA ARG 17 HA ARG 17 3.407 2.014 -3.063
107 1HB ARG 17 1HB ARG 17 6.320 1.644 -2.236
108 2HB ARG 17 2HB ARG 17 5.154 0.334 -2.115
109 1HG ARG 17 1HG ARG 17 6.350 0.113 -4.169
110 2HG ARG 17 2HG ARG 17 4.650 0.440 -4.470
111 1HD ARG 17 1HD ARG 17 5.339 2.892 -4.928
112 2HD ARG 17 2HD ARG 17 7.010 2.340 -4.760
113 HE ARG 17 HE ARG 17 6.948 1.498 -6.846
114 1HH1 ARG 17 1HH1 ARG 17 3.641 1.951 -5.766
115 2HH1 ARG 17 2HH1 ARG 17 2.976 0.905 -6.963
116 1HH2 ARG 17 1HH2 ARG 17 5.987 0.755 -8.841
117 2HH2 ARG 17 2HH2 ARG 17 4.255 0.530 -8.941
118 H PHE 18 H PHE 18 5.234 3.157 -0.230
119 HA PHE 18 HA PHE 18 3.824 1.681 1.718
120 1HB PHE 18 1HB PHE 18 6.047 2.623 2.077
121 2HB PHE 18 2HB PHE 18 5.475 4.233 1.740
122 HD1 PHE 18 HD1 PHE 18 6.232 5.367 3.630
123 HD2 PHE 18 HD2 PHE 18 3.865 1.795 4.140
124 HE1 PHE 18 HE1 PHE 18 6.025 5.846 6.053
125 HE2 PHE 18 HE2 PHE 18 3.620 2.310 6.533
126 HZ PHE 18 HZ PHE 18 4.719 4.322 7.512
127 H TYR 19 H TYR 19 2.641 4.311 -0.127
128 HA TYR 19 HA TYR 19 0.619 4.970 1.960
129 1HB TYR 19 1HB TYR 19 2.118 6.509 0.108
130 2HB TYR 19 2HB TYR 19 0.506 6.457 -0.569
131 HD1 TYR 19 HD1 TYR 19 -1.373 6.613 1.551
132 HD2 TYR 19 HD2 TYR 19 2.531 8.440 1.318
133 HE1 TYR 19 HE1 TYR 19 -2.153 8.433 2.980
134 HE2 TYR 19 HE2 TYR 19 1.747 10.293 2.764
135 HH TYR 19 HH TYR 19 -1.695 10.598 3.650
136 H ASN 20 H ASN 20 1.030 3.949 -1.355
137 HA ASN 20 HA ASN 20 -1.538 3.621 -2.281
138 1HB ASN 20 1HB ASN 20 0.552 3.734 -3.525
139 2HB ASN 20 2HB ASN 20 1.041 2.159 -2.933
140 1HD2 ASN 20 2HD2 ASN 20 0.248 0.321 -3.923
141 2HD2 ASN 20 1HD2 ASN 20 -0.665 0.357 -5.401
142 H ASP 21 H ASP 21 0.296 1.240 -0.299
143 HA ASP 21 HA ASP 21 -1.632 -0.872 -1.003
144 1HB ASP 21 1HB ASP 21 0.796 -1.365 -0.481
145 2HB ASP 21 2HB ASP 21 0.409 -1.089 1.225
146 H LEU 22 H LEU 22 -1.180 1.351 1.683
147 HA LEU 22 HA LEU 22 -3.038 0.221 3.536
148 1HB LEU 22 1HB LEU 22 -2.118 3.083 3.026
149 2HB LEU 22 2HB LEU 22 -3.295 2.714 4.271
150 HG LEU 22 HG LEU 22 -0.542 1.419 4.221
151 1HD1 LEU 22 1HD1 LEU 22 -1.440 3.926 5.721
152 2HD1 LEU 22 2HD1 LEU 22 -0.332 3.888 4.329
153 3HD1 LEU 22 3HD1 LEU 22 0.146 3.129 5.839
154 1HD2 LEU 22 1HD2 LEU 22 -2.216 0.248 5.612
155 2HD2 LEU 22 2HD2 LEU 22 -2.616 1.770 6.440
156 3HD2 LEU 22 3HD2 LEU 22 -1.011 1.039 6.627
157 H GLN 23 H GLN 23 -3.458 2.777 1.048
158 HA GLN 23 HA GLN 23 -6.321 2.910 1.462
159 1HB GLN 23 1HB GLN 23 -6.397 4.178 -0.652
160 2HB GLN 23 2HB GLN 23 -5.167 4.795 0.454
161 1HG GLN 23 1HG GLN 23 -3.391 3.724 -0.823
162 2HG GLN 23 2HG GLN 23 -4.576 2.898 -1.838
163 1HE2 GLN 23 2HE2 GLN 23 -4.107 3.736 -3.831
164 2HE2 GLN 23 1HE2 GLN 23 -4.080 5.449 -4.203
165 H GLN 24 H GLN 24 -4.324 0.702 -0.424
166 HA GLN 24 HA GLN 24 -6.449 -0.260 -2.093
167 1HB GLN 24 1HB GLN 24 -4.020 -0.529 -2.547
168 2HB GLN 24 2HB GLN 24 -3.920 -1.683 -1.230
169 1HG GLN 24 1HG GLN 24 -5.580 -3.134 -2.411
170 2HG GLN 24 2HG GLN 24 -5.550 -1.996 -3.771
171 1HE2 GLN 24 2HE2 GLN 24 -2.862 -1.390 -4.090
172 2HE2 GLN 24 1HE2 GLN 24 -1.899 -2.844 -4.205
173 H TYR 25 H TYR 25 -5.156 -1.205 1.043
174 HA TYR 25 HA TYR 25 -6.826 -3.441 1.547
175 1HB TYR 25 1HB TYR 25 -4.748 -2.434 2.826
176 2HB TYR 25 2HB TYR 25 -5.931 -1.488 3.708
177 HD1 TYR 25 HD1 TYR 25 -7.443 -2.592 5.354
178 HD2 TYR 25 HD2 TYR 25 -4.603 -4.853 3.012
179 HE1 TYR 25 HE1 TYR 25 -7.652 -4.488 6.936
180 HE2 TYR 25 HE2 TYR 25 -4.773 -6.723 4.631
181 HH TYR 25 HH TYR 25 -6.550 -6.606 7.628
182 H LEU 26 H LEU 26 -7.714 -0.217 1.240
183 HA LEU 26 HA LEU 26 -10.314 -0.641 2.568
184 1HB LEU 26 1HB LEU 26 -8.765 1.947 2.059
185 2HB LEU 26 2HB LEU 26 -10.346 1.874 2.826
186 HG LEU 26 HG LEU 26 -7.868 0.519 3.977
187 1HD1 LEU 26 1HD1 LEU 26 -7.751 2.423 5.539
188 2HD1 LEU 26 2HD1 LEU 26 -9.043 3.246 4.628
189 3HD1 LEU 26 3HD1 LEU 26 -7.471 2.912 3.868
190 1HD2 LEU 26 1HD2 LEU 26 -9.167 0.492 6.072
191 2HD2 LEU 26 2HD2 LEU 26 -9.971 -0.436 4.806
192 3HD2 LEU 26 3HD2 LEU 26 -10.571 1.181 5.229
193 H ASN 27 H ASN 27 -8.898 -0.586 -0.429
194 HA ASN 27 HA ASN 27 -11.401 0.289 -1.716
195 1HB ASN 27 1HB ASN 27 -8.493 0.812 -2.282
196 2HB ASN 27 2HB ASN 27 -9.405 0.295 -3.634
197 1HD2 ASN 27 2HD2 ASN 27 -8.909 2.863 -1.345
198 2HD2 ASN 27 1HD2 ASN 27 -9.993 4.025 -2.124
199 H VAL 28 H VAL 28 -9.465 -2.386 -1.080
200 HA VAL 28 HA VAL 28 -10.729 -3.895 -3.307
201 HB VAL 28 HB VAL 28 -8.106 -4.204 -1.783
202 1HG1 VAL 28 1HG1 VAL 28 -8.910 -6.472 -2.267
203 2HG1 VAL 28 2HG1 VAL 28 -9.151 -6.027 -3.976
204 3HG1 VAL 28 3HG1 VAL 28 -7.520 -6.067 -3.262
205 1HG2 VAL 28 1HG2 VAL 28 -8.763 -3.567 -4.707
206 2HG2 VAL 28 2HG2 VAL 28 -7.996 -2.478 -3.534
207 3HG2 VAL 28 3HG2 VAL 28 -7.131 -3.905 -4.117
208 H VAL 29 H VAL 29 -10.646 -3.438 0.132
209 HA VAL 29 HA VAL 29 -11.735 -6.164 0.539
210 HB VAL 29 HB VAL 29 -11.099 -3.978 2.521
211 1HG1 VAL 29 1HG1 VAL 29 -12.812 -5.580 3.378
212 2HG1 VAL 29 2HG1 VAL 29 -11.769 -6.939 2.918
213 3HG1 VAL 29 3HG1 VAL 29 -11.260 -5.826 4.199
214 1HG2 VAL 29 1HG2 VAL 29 -9.139 -5.389 3.088
215 2HG2 VAL 29 2HG2 VAL 29 -9.580 -6.520 1.798
216 3HG2 VAL 29 3HG2 VAL 29 -9.055 -4.866 1.407
217 H THR 30 H THR 30 -12.842 -2.886 1.414
218 HA THR 30 HA THR 30 -15.527 -3.677 1.781
219 HB THR 30 HB THR 30 -15.796 -1.114 1.535
220 HG1 THR 30 HG1 THR 30 -13.712 -0.070 1.873
221 1HG2 THR 30 1HG2 THR 30 -13.893 -2.209 3.655
222 2HG2 THR 30 2HG2 THR 30 -15.668 -2.288 3.729
223 3HG2 THR 30 3HG2 THR 30 -14.848 -0.721 3.785
224 H ARG 31 H ARG 31 -13.740 -2.685 -1.112
225 HA ARG 31 HA ARG 31 -16.070 -2.139 -2.642
226 1HB ARG 31 1HB ARG 31 -13.676 -1.529 -3.112
227 2HB ARG 31 2HB ARG 31 -13.404 -3.175 -3.696
228 1HG ARG 31 1HG ARG 31 -13.706 -1.655 -5.531
229 2HG ARG 31 2HG ARG 31 -15.110 -2.730 -5.506
230 1HD ARG 31 1HD ARG 31 -16.557 -1.040 -4.802
231 2HD ARG 31 2HD ARG 31 -15.294 -0.129 -3.971
232 HE ARG 31 HE ARG 31 -15.950 -0.127 -6.840
233 1HH1 ARG 31 1HH1 ARG 31 -13.875 1.224 -4.259
234 2HH1 ARG 31 2HH1 ARG 31 -13.357 2.573 -5.205
235 1HH2 ARG 31 1HH2 ARG 31 -15.021 1.462 -8.134
236 2HH2 ARG 31 2HH2 ARG 31 -13.956 2.687 -7.483
237 H HIS 32 H HIS 32 -14.940 -5.145 -1.505
238 HA HIS 32 HA HIS 32 -16.649 -6.679 -3.400
239 1HB HIS 32 1HB HIS 32 -14.192 -7.375 -1.750
240 2HB HIS 32 2HB HIS 32 -15.243 -8.593 -2.444
241 HD1 HIS 32 HD1 HIS 32 -14.123 -9.557 -4.568
242 HD2 HIS 32 HD2 HIS 32 -13.500 -5.420 -4.000
243 HE1 HIS 32 HE1 HIS 32 -12.805 -8.747 -6.567
244 H ARG 33 H ARG 33 -16.695 -5.373 -0.272
245 HA ARG 33 HA ARG 33 -18.655 -7.442 0.641
246 1HB ARG 33 1HB ARG 33 -16.553 -7.699 1.806
247 2HB ARG 33 2HB ARG 33 -16.550 -5.993 2.286
248 1HG ARG 33 1HG ARG 33 -18.376 -6.287 3.768
249 2HG ARG 33 2HG ARG 33 -18.824 -7.845 3.057
250 1HD ARG 33 1HD ARG 33 -16.912 -8.940 3.995
251 2HD ARG 33 2HD ARG 33 -16.192 -7.412 4.523
252 HE ARG 33 HE ARG 33 -18.501 -8.851 5.700
253 1HH1 ARG 33 1HH1 ARG 33 -16.620 -5.857 5.709
254 2HH1 ARG 33 2HH1 ARG 33 -17.376 -5.214 7.127
255 1HH2 ARG 33 1HH2 ARG 33 -19.148 -8.250 7.760
256 2HH2 ARG 33 2HH2 ARG 33 -18.662 -6.739 8.478
257 H TYR 34 H TYR 34 -18.207 -4.138 -0.052
258 HA TYR 34 HA TYR 34 -20.757 -3.383 1.243
259 1HB TYR 34 1HB TYR 34 -18.582 -2.401 2.240
260 2HB TYR 34 2HB TYR 34 -18.389 -1.542 0.719
261 HD1 TYR 34 HD1 TYR 34 -20.123 0.182 0.008
262 HD2 TYR 34 HD2 TYR 34 -20.223 -1.760 3.871
263 HE1 TYR 34 HE1 TYR 34 -21.648 1.926 0.856
264 HE2 TYR 34 HE2 TYR 34 -21.748 -0.032 4.699
265 HH TYR 34 HH TYR 34 -23.014 1.825 4.182
266 1HN NH2 35 1H NH2 35 -18.374 -2.893 -1.440
267 2HN NH2 35 2H NH2 35 -19.613 -2.816 -2.676
268 2HN ZAB 10 H AZO 10 7.124 7.562 10.235
269 2HA ZAB 10 2HA AZO 10 7.873 7.167 7.446
270 3HA ZAB 10 3HA AZO 10 7.811 8.692 8.363
271 HG2 ZAB 10 HG2 AZO 10 9.709 9.369 9.806
272 HD2 ZAB 10 HD2 AZO 10 12.181 9.236 10.150
273 HE ZAB 10 HE AZO 10 13.477 7.375 9.131
274 HG1 ZAB 10 HG1 AZO 10 9.852 5.804 7.415
275 HJ2 ZAB 10 HJ2 AZO 10 15.891 5.892 6.871
276 HK2 ZAB 10 HK2 AZO 10 16.927 7.639 5.457
277 HL ZAB 10 HL AZO 10 15.502 9.091 4.028
278 HJ1 ZAB 10 HJ1 AZO 10 12.006 6.944 5.341
279 2HM ZAB 10 2HM AZO 10 11.773 8.852 3.913
280 3HM ZAB 10 3HM AZO 10 13.109 9.976 3.739
Start of MODEL 18
1 1H GLY 1 H GLY 1 1.658 -2.093 12.028
2 1HA GLY 1 1HA GLY 1 3.955 -2.439 11.184
3 2HA GLY 1 2HA GLY 1 3.548 -0.714 11.355
4 HA PRO 2 HA PRO 2 7.358 -1.340 13.836
5 1HB PRO 2 1HB PRO 2 8.389 1.202 13.458
6 2HB PRO 2 2HB PRO 2 8.690 -0.206 12.422
7 1HG PRO 2 1HG PRO 2 6.949 2.137 11.859
8 2HG PRO 2 2HG PRO 2 7.740 1.010 10.739
9 1HD PRO 2 1HD PRO 2 5.011 1.030 11.618
10 2HD PRO 2 2HD PRO 2 5.809 -0.197 10.592
11 H SER 3 H SER 3 7.930 -0.481 15.858
12 HA SER 3 HA SER 3 5.875 0.363 17.611
13 1HB SER 3 1HB SER 3 8.051 -1.069 17.874
14 2HB SER 3 2HB SER 3 8.872 0.474 18.118
15 HG SER 3 HG SER 3 8.284 -0.547 20.021
16 H GLN 4 H GLN 4 7.708 2.193 15.490
17 HA GLN 4 HA GLN 4 7.239 4.802 16.774
18 1HB GLN 4 1HB GLN 4 9.431 5.447 15.547
19 2HB GLN 4 2HB GLN 4 9.603 4.585 17.073
20 1HG GLN 4 1HG GLN 4 10.406 2.653 16.080
21 2HG GLN 4 2HG GLN 4 9.513 2.889 14.593
22 1HE2 GLN 4 2HE2 GLN 4 11.070 2.653 13.084
23 2HE2 GLN 4 1HE2 GLN 4 12.399 3.783 12.901
24 HA PRO 5 HA PRO 5 5.523 5.218 12.673
25 1HB PRO 5 1HB PRO 5 5.484 7.927 12.288
26 2HB PRO 5 2HB PRO 5 4.450 7.128 13.511
27 1HG PRO 5 1HG PRO 5 7.130 8.489 13.914
28 2HG PRO 5 2HG PRO 5 5.622 8.711 14.866
29 1HD PRO 5 1HD PRO 5 7.635 7.041 15.669
30 2HD PRO 5 2HD PRO 5 5.916 6.639 15.958
31 H THR 6 H THR 6 6.100 5.946 10.403
32 HA THR 6 HA THR 6 9.017 6.488 10.076
33 HB THR 6 HB THR 6 7.486 4.664 8.216
34 HG1 THR 6 HG1 THR 6 7.306 3.510 9.971
35 1HG2 THR 6 1HG2 THR 6 9.774 5.499 7.533
36 2HG2 THR 6 2HG2 THR 6 9.690 3.743 7.718
37 3HG2 THR 6 3HG2 THR 6 10.436 4.724 8.989
38 H TYR 7 H TYR 7 9.576 7.718 8.265
39 HA TYR 7 HA TYR 7 9.395 9.480 6.906
40 1HB TYR 7 1HB TYR 7 6.860 8.415 5.751
41 2HB TYR 7 2HB TYR 7 8.187 9.238 4.961
42 HD1 TYR 7 HD1 TYR 7 6.726 6.072 5.940
43 HD2 TYR 7 HD2 TYR 7 10.428 7.930 4.713
44 HE1 TYR 7 HE1 TYR 7 7.583 3.881 5.292
45 HE2 TYR 7 HE2 TYR 7 11.324 5.724 4.079
46 HH TYR 7 HH TYR 7 10.952 3.491 4.038
47 HA PRO 8 HA PRO 8 6.299 11.690 9.551
48 1HB PRO 8 1HB PRO 8 7.962 13.608 10.592
49 2HB PRO 8 2HB PRO 8 7.862 11.945 11.218
50 1HG PRO 8 1HG PRO 8 9.879 13.049 9.239
51 2HG PRO 8 2HG PRO 8 10.203 12.120 10.732
52 1HD PRO 8 1HD PRO 8 10.097 10.915 8.311
53 2HD PRO 8 2HD PRO 8 9.448 10.110 9.770
54 H GLY 9 H GLY 9 7.165 12.016 6.533
55 1HA GLY 9 1HA GLY 9 5.660 14.134 5.753
56 2HA GLY 9 2HA GLY 9 7.309 14.773 5.862
57 HA PRO 11 HA PRO 11 12.246 9.165 -4.479
58 1HB PRO 11 1HB PRO 11 11.575 6.803 -3.212
59 2HB PRO 11 2HB PRO 11 13.229 7.300 -3.648
60 1HG PRO 11 1HG PRO 11 11.848 7.553 -0.965
61 2HG PRO 11 2HG PRO 11 13.511 6.989 -1.293
62 1HD PRO 11 1HD PRO 11 12.873 9.519 -0.473
63 2HD PRO 11 2HD PRO 11 14.250 9.206 -1.570
64 H VAL 12 H VAL 12 10.322 9.465 -5.400
65 HA VAL 12 HA VAL 12 7.976 10.114 -3.868
66 HB VAL 12 HB VAL 12 8.211 9.503 -6.846
67 1HG1 VAL 12 1HG1 VAL 12 5.889 9.582 -6.097
68 2HG1 VAL 12 2HG1 VAL 12 6.183 11.098 -5.216
69 3HG1 VAL 12 3HG1 VAL 12 6.231 11.063 -6.985
70 1HG2 VAL 12 1HG2 VAL 12 8.585 12.155 -5.404
71 2HG2 VAL 12 2HG2 VAL 12 9.836 11.272 -6.306
72 3HG2 VAL 12 3HG2 VAL 12 8.463 11.951 -7.166
73 H GLU 13 H GLU 13 8.981 7.257 -5.879
74 HA GLU 13 HA GLU 13 6.523 5.880 -5.473
75 1HB GLU 13 1HB GLU 13 9.273 5.131 -6.444
76 2HB GLU 13 2HB GLU 13 8.190 3.836 -5.991
77 1HG GLU 13 1HG GLU 13 7.502 6.052 -7.971
78 2HG GLU 13 2HG GLU 13 8.037 4.426 -8.399
79 H ASP 14 H ASP 14 9.271 6.187 -3.313
80 HA ASP 14 HA ASP 14 8.557 3.833 -1.733
81 1HB ASP 14 1HB ASP 14 10.845 4.812 -1.750
82 2HB ASP 14 2HB ASP 14 10.172 6.282 -1.020
83 H LEU 15 H LEU 15 7.558 7.189 -1.888
84 HA LEU 15 HA LEU 15 6.217 7.232 0.693
85 1HB LEU 15 1HB LEU 15 7.376 9.194 -0.241
86 2HB LEU 15 2HB LEU 15 6.327 9.165 -1.659
87 HG LEU 15 HG LEU 15 4.373 9.644 -0.280
88 1HD1 LEU 15 1HD1 LEU 15 4.709 10.407 2.106
89 2HD1 LEU 15 2HD1 LEU 15 6.356 9.760 2.046
90 3HD1 LEU 15 3HD1 LEU 15 4.959 8.683 1.874
91 1HD2 LEU 15 1HD2 LEU 15 6.745 11.521 0.117
92 2HD2 LEU 15 2HD2 LEU 15 5.050 11.992 0.348
93 3HD2 LEU 15 3HD2 LEU 15 5.626 11.496 -1.247
94 H ILE 16 H ILE 16 5.302 7.425 -2.751
95 HA ILE 16 HA ILE 16 2.546 7.102 -2.431
96 HB ILE 16 HB ILE 16 4.386 6.432 -4.760
97 1HG1 ILE 16 1HG1 ILE 16 4.468 8.794 -4.293
98 2HG1 ILE 16 2HG1 ILE 16 3.540 8.536 -5.745
99 1HG2 ILE 16 1HG2 ILE 16 2.372 5.161 -5.163
100 2HG2 ILE 16 2HG2 ILE 16 1.353 6.560 -4.787
101 3HG2 ILE 16 3HG2 ILE 16 2.395 6.556 -6.232
102 1HD1 ILE 16 1HD1 ILE 16 2.429 10.227 -4.545
103 2HD1 ILE 16 2HD1 ILE 16 1.439 8.795 -4.216
104 3HD1 ILE 16 3HD1 ILE 16 2.592 9.382 -3.002
105 H ARG 17 H ARG 17 4.947 4.402 -3.151
106 HA ARG 17 HA ARG 17 2.874 2.466 -3.249
107 1HB ARG 17 1HB ARG 17 5.167 2.031 -4.073
108 2HB ARG 17 2HB ARG 17 5.771 2.018 -2.402
109 1HG ARG 17 1HG ARG 17 4.438 0.060 -1.856
110 2HG ARG 17 2HG ARG 17 3.613 0.120 -3.408
111 1HD ARG 17 1HD ARG 17 6.580 -0.429 -3.011
112 2HD ARG 17 2HD ARG 17 5.360 -1.665 -3.263
113 HE ARG 17 HE ARG 17 6.605 0.005 -5.247
114 1HH1 ARG 17 1HH1 ARG 17 3.630 -1.895 -4.703
115 2HH1 ARG 17 2HH1 ARG 17 3.028 -1.639 -6.297
116 1HH2 ARG 17 1HH2 ARG 17 5.871 0.281 -7.292
117 2HH2 ARG 17 2HH2 ARG 17 4.319 -0.340 -7.812
118 H PHE 18 H PHE 18 4.814 3.495 -0.405
119 HA PHE 18 HA PHE 18 3.641 1.620 1.354
120 1HB PHE 18 1HB PHE 18 5.714 3.049 1.683
121 2HB PHE 18 2HB PHE 18 4.668 4.400 2.033
122 HD1 PHE 18 HD1 PHE 18 4.256 4.812 4.354
123 HD2 PHE 18 HD2 PHE 18 5.133 0.800 3.032
124 HE1 PHE 18 HE1 PHE 18 4.289 4.034 6.709
125 HE2 PHE 18 HE2 PHE 18 5.171 0.037 5.390
126 HZ PHE 18 HZ PHE 18 4.754 1.645 7.223
127 H TYR 19 H TYR 19 2.422 4.731 0.151
128 HA TYR 19 HA TYR 19 0.315 4.836 2.184
129 1HB TYR 19 1HB TYR 19 1.437 6.828 0.909
130 2HB TYR 19 2HB TYR 19 0.415 6.409 -0.423
131 HD1 TYR 19 HD1 TYR 19 -1.411 7.832 -0.588
132 HD2 TYR 19 HD2 TYR 19 -0.085 6.666 3.349
133 HE1 TYR 19 HE1 TYR 19 -3.402 8.886 0.386
134 HE2 TYR 19 HE2 TYR 19 -2.010 7.790 4.346
135 HH TYR 19 HH TYR 19 -3.956 8.922 3.964
136 H ASN 20 H ASN 20 0.587 4.168 -1.248
137 HA ASN 20 HA ASN 20 -2.158 3.639 -1.832
138 1HB ASN 20 1HB ASN 20 -0.514 3.989 -3.612
139 2HB ASN 20 2HB ASN 20 0.347 2.509 -3.143
140 1HD2 ASN 20 2HD2 ASN 20 -0.393 0.530 -3.987
141 2HD2 ASN 20 1HD2 ASN 20 -1.964 0.363 -4.785
142 H ASP 21 H ASP 21 0.417 1.590 -0.469
143 HA ASP 21 HA ASP 21 -0.911 -0.906 -0.667
144 1HB ASP 21 1HB ASP 21 1.491 -0.633 -0.101
145 2HB ASP 21 2HB ASP 21 1.045 0.048 1.473
146 H LEU 22 H LEU 22 -1.024 1.625 1.862
147 HA LEU 22 HA LEU 22 -2.762 0.173 3.651
148 1HB LEU 22 1HB LEU 22 -2.266 3.165 3.284
149 2HB LEU 22 2HB LEU 22 -3.261 2.502 4.559
150 HG LEU 22 HG LEU 22 -0.327 1.807 4.209
151 1HD1 LEU 22 1HD1 LEU 22 0.086 3.371 6.070
152 2HD1 LEU 22 2HD1 LEU 22 -1.629 3.847 6.066
153 3HD1 LEU 22 3HD1 LEU 22 -0.587 4.205 4.667
154 1HD2 LEU 22 1HD2 LEU 22 -0.519 1.048 6.577
155 2HD2 LEU 22 2HD2 LEU 22 -1.567 0.117 5.511
156 3HD2 LEU 22 3HD2 LEU 22 -2.266 1.387 6.540
157 H GLN 23 H GLN 23 -3.288 2.464 0.970
158 HA GLN 23 HA GLN 23 -6.159 2.588 1.275
159 1HB GLN 23 1HB GLN 23 -4.371 3.173 -1.125
160 2HB GLN 23 2HB GLN 23 -6.107 3.485 -1.064
161 1HG GLN 23 1HG GLN 23 -5.794 5.011 0.846
162 2HG GLN 23 2HG GLN 23 -4.056 4.739 0.815
163 1HE2 GLN 23 2HE2 GLN 23 -2.835 5.907 -0.635
164 2HE2 GLN 23 1HE2 GLN 23 -3.464 7.048 -1.803
165 H GLN 24 H GLN 24 -4.007 0.261 -0.321
166 HA GLN 24 HA GLN 24 -5.891 -0.900 -2.071
167 1HB GLN 24 1HB GLN 24 -3.407 -1.236 -2.064
168 2HB GLN 24 2HB GLN 24 -3.606 -2.345 -0.706
169 1HG GLN 24 1HG GLN 24 -4.895 -3.887 -2.024
170 2HG GLN 24 2HG GLN 24 -5.109 -2.720 -3.329
171 1HE2 GLN 24 2HE2 GLN 24 -3.013 -1.939 -4.437
172 2HE2 GLN 24 1HE2 GLN 24 -1.762 -3.147 -4.657
173 H TYR 25 H TYR 25 -5.161 -1.510 1.316
174 HA TYR 25 HA TYR 25 -6.884 -3.717 1.715
175 1HB TYR 25 1HB TYR 25 -5.124 -2.689 3.283
176 2HB TYR 25 2HB TYR 25 -6.341 -1.529 3.761
177 HD1 TYR 25 HD1 TYR 25 -7.724 -2.088 5.640
178 HD2 TYR 25 HD2 TYR 25 -5.749 -5.224 3.433
179 HE1 TYR 25 HE1 TYR 25 -8.397 -3.722 7.366
180 HE2 TYR 25 HE2 TYR 25 -6.419 -6.868 5.142
181 HH TYR 25 HH TYR 25 -8.349 -5.953 8.030
182 H LEU 26 H LEU 26 -7.628 -0.213 1.526
183 HA LEU 26 HA LEU 26 -10.403 -0.747 2.250
184 1HB LEU 26 1HB LEU 26 -9.063 1.814 1.343
185 2HB LEU 26 2HB LEU 26 -10.698 1.713 1.958
186 HG LEU 26 HG LEU 26 -8.241 0.950 3.580
187 1HD1 LEU 26 1HD1 LEU 26 -8.506 3.099 4.715
188 2HD1 LEU 26 2HD1 LEU 26 -9.856 3.528 3.643
189 3HD1 LEU 26 3HD1 LEU 26 -8.215 3.349 2.995
190 1HD2 LEU 26 1HD2 LEU 26 -10.293 -0.138 4.392
191 2HD2 LEU 26 2HD2 LEU 26 -11.125 1.433 4.418
192 3HD2 LEU 26 3HD2 LEU 26 -9.769 1.113 5.518
193 H ASN 27 H ASN 27 -8.646 -0.564 -0.583
194 HA ASN 27 HA ASN 27 -10.981 -0.217 -2.261
195 1HB ASN 27 1HB ASN 27 -7.967 -0.099 -2.536
196 2HB ASN 27 2HB ASN 27 -8.901 -0.397 -3.937
197 1HD2 ASN 27 2HD2 ASN 27 -7.840 1.980 -1.775
198 2HD2 ASN 27 1HD2 ASN 27 -8.632 3.378 -2.473
199 H VAL 28 H VAL 28 -9.486 -2.873 -0.991
200 HA VAL 28 HA VAL 28 -10.669 -4.550 -3.164
201 HB VAL 28 HB VAL 28 -8.194 -5.013 -1.409
202 1HG1 VAL 28 1HG1 VAL 28 -9.512 -6.871 -3.432
203 2HG1 VAL 28 2HG1 VAL 28 -7.875 -7.077 -2.789
204 3HG1 VAL 28 3HG1 VAL 28 -9.249 -7.164 -1.699
205 1HG2 VAL 28 1HG2 VAL 28 -8.440 -4.659 -4.439
206 2HG2 VAL 28 2HG2 VAL 28 -7.753 -3.472 -3.306
207 3HG2 VAL 28 3HG2 VAL 28 -6.944 -5.013 -3.545
208 H VAL 29 H VAL 29 -10.699 -3.679 0.155
209 HA VAL 29 HA VAL 29 -12.286 -6.115 0.768
210 HB VAL 29 HB VAL 29 -11.187 -4.050 2.659
211 1HG1 VAL 29 1HG1 VAL 29 -12.429 -6.767 3.072
212 2HG1 VAL 29 2HG1 VAL 29 -11.591 -5.834 4.336
213 3HG1 VAL 29 3HG1 VAL 29 -13.064 -5.176 3.586
214 1HG2 VAL 29 1HG2 VAL 29 -9.323 -5.332 1.521
215 2HG2 VAL 29 2HG2 VAL 29 -9.470 -5.754 3.222
216 3HG2 VAL 29 3HG2 VAL 29 -10.128 -6.839 1.983
217 H THR 30 H THR 30 -12.557 -2.612 1.356
218 HA THR 30 HA THR 30 -15.398 -2.907 1.711
219 HB THR 30 HB THR 30 -14.948 -0.183 1.426
220 HG1 THR 30 HG1 THR 30 -12.735 -0.336 1.454
221 1HG2 THR 30 1HG2 THR 30 -16.244 -1.388 3.204
222 2HG2 THR 30 2HG2 THR 30 -15.169 -0.144 3.845
223 3HG2 THR 30 3HG2 THR 30 -14.709 -1.857 3.955
224 H ARG 31 H ARG 31 -13.411 -2.008 -1.095
225 HA ARG 31 HA ARG 31 -15.555 -0.950 -2.606
226 1HB ARG 31 1HB ARG 31 -13.030 -0.973 -3.123
227 2HB ARG 31 2HB ARG 31 -13.287 -2.606 -3.753
228 1HG ARG 31 1HG ARG 31 -14.931 -1.561 -5.434
229 2HG ARG 31 2HG ARG 31 -14.381 0.023 -4.834
230 1HD ARG 31 1HD ARG 31 -11.980 -0.849 -5.306
231 2HD ARG 31 2HD ARG 31 -12.750 -2.173 -6.180
232 HE ARG 31 HE ARG 31 -13.324 -0.766 -7.900
233 1HH1 ARG 31 1HH1 ARG 31 -11.563 1.067 -5.353
234 2HH1 ARG 31 2HH1 ARG 31 -11.215 2.383 -6.379
235 1HH2 ARG 31 1HH2 ARG 31 -12.732 1.060 -9.291
236 2HH2 ARG 31 2HH2 ARG 31 -11.653 2.238 -8.649
237 H HIS 32 H HIS 32 -14.806 -4.187 -1.828
238 HA HIS 32 HA HIS 32 -16.613 -5.416 -3.800
239 1HB HIS 32 1HB HIS 32 -14.585 -6.365 -1.780
240 2HB HIS 32 2HB HIS 32 -15.876 -7.461 -2.195
241 HD1 HIS 32 HD1 HIS 32 -15.033 -9.134 -3.880
242 HD2 HIS 32 HD2 HIS 32 -13.603 -5.223 -4.517
243 HE1 HIS 32 HE1 HIS 32 -13.565 -9.230 -5.979
244 H ARG 33 H ARG 33 -17.268 -3.778 -0.901
245 HA ARG 33 HA ARG 33 -19.736 -5.383 -0.556
246 1HB ARG 33 1HB ARG 33 -17.815 -4.761 1.731
247 2HB ARG 33 2HB ARG 33 -19.488 -5.275 1.912
248 1HG ARG 33 1HG ARG 33 -18.868 -7.348 0.502
249 2HG ARG 33 2HG ARG 33 -17.187 -6.869 0.761
250 1HD ARG 33 1HD ARG 33 -17.717 -8.467 2.455
251 2HD ARG 33 2HD ARG 33 -17.691 -6.895 3.270
252 HE ARG 33 HE ARG 33 -20.294 -7.844 2.234
253 1HH1 ARG 33 1HH1 ARG 33 -18.275 -7.738 5.198
254 2HH1 ARG 33 2HH1 ARG 33 -19.657 -7.807 6.215
255 1HH2 ARG 33 1HH2 ARG 33 -21.977 -8.038 3.560
256 2HH2 ARG 33 2HH2 ARG 33 -21.862 -7.920 5.298
257 H TYR 34 H TYR 34 -18.284 -2.684 1.319
258 HA TYR 34 HA TYR 34 -20.657 -1.246 1.660
259 1HB TYR 34 1HB TYR 34 -18.707 -0.851 3.031
260 2HB TYR 34 2HB TYR 34 -17.732 -0.449 1.625
261 HD1 TYR 34 HD1 TYR 34 -17.990 1.668 0.431
262 HD2 TYR 34 HD2 TYR 34 -20.128 0.876 4.094
263 HE1 TYR 34 HE1 TYR 34 -18.398 4.066 0.686
264 HE2 TYR 34 HE2 TYR 34 -20.516 3.305 4.394
265 HH TYR 34 HH TYR 34 -20.268 5.457 3.442
266 1HN NH2 35 1H NH2 35 -21.587 0.573 0.532
267 2HN NH2 35 2H NH2 35 -21.177 0.839 -1.159
268 2HN ZAB 10 H AZO 10 8.272 14.712 3.942
269 2HA ZAB 10 2HA AZO 10 9.229 12.670 2.509
270 3HA ZAB 10 3HA AZO 10 7.553 12.666 1.930
271 HG2 ZAB 10 HG2 AZO 10 6.964 14.025 0.114
272 HD2 ZAB 10 HD2 AZO 10 7.664 15.629 -1.628
273 HE ZAB 10 HE AZO 10 9.806 16.854 -1.407
274 HG1 ZAB 10 HG1 AZO 10 10.528 14.922 2.382
275 HJ2 ZAB 10 HJ2 AZO 10 14.195 17.270 -1.766
276 HK2 ZAB 10 HK2 AZO 10 15.284 15.696 -3.355
277 HL ZAB 10 HL AZO 10 14.748 13.289 -3.272
278 HJ1 ZAB 10 HJ1 AZO 10 11.958 14.017 -0.064
279 2HM ZAB 10 2HM AZO 10 14.064 11.600 -1.251
280 3HM ZAB 10 3HM AZO 10 12.440 11.868 -0.624
Start of MODEL 19
1 1H GLY 1 H GLY 1 24.405 3.996 -2.753
2 1HA GLY 1 1HA GLY 1 25.979 1.544 -3.296
3 2HA GLY 1 2HA GLY 1 26.465 2.780 -2.131
4 HA PRO 2 HA PRO 2 23.775 -0.528 -0.146
5 1HB PRO 2 1HB PRO 2 25.573 -1.499 1.682
6 2HB PRO 2 2HB PRO 2 25.431 -2.119 0.010
7 1HG PRO 2 1HG PRO 2 27.400 -0.090 1.111
8 2HG PRO 2 2HG PRO 2 27.740 -1.506 0.067
9 1HD PRO 2 1HD PRO 2 27.467 1.006 -0.945
10 2HD PRO 2 2HD PRO 2 26.867 -0.420 -1.840
11 H SER 3 H SER 3 25.792 2.154 1.066
12 HA SER 3 HA SER 3 24.661 2.123 3.696
13 1HB SER 3 1HB SER 3 26.880 3.162 3.013
14 2HB SER 3 2HB SER 3 25.952 4.482 2.282
15 HG SER 3 HG SER 3 26.199 5.208 4.284
16 H GLN 4 H GLN 4 22.610 2.576 4.150
17 HA GLN 4 HA GLN 4 21.235 4.805 2.777
18 1HB GLN 4 1HB GLN 4 20.280 1.917 2.907
19 2HB GLN 4 2HB GLN 4 19.124 3.238 2.870
20 1HG GLN 4 1HG GLN 4 21.241 2.723 0.757
21 2HG GLN 4 2HG GLN 4 19.517 2.397 0.615
22 1HE2 GLN 4 2HE2 GLN 4 18.292 4.723 1.633
23 2HE2 GLN 4 1HE2 GLN 4 18.851 6.140 0.800
24 HA PRO 5 HA PRO 5 20.838 4.707 7.420
25 1HB PRO 5 1HB PRO 5 22.044 7.070 8.034
26 2HB PRO 5 2HB PRO 5 22.984 5.568 7.747
27 1HG PRO 5 1HG PRO 5 22.406 7.806 5.813
28 2HG PRO 5 2HG PRO 5 23.995 7.066 6.180
29 1HD PRO 5 1HD PRO 5 22.488 6.308 4.027
30 2HD PRO 5 2HD PRO 5 23.476 5.141 4.953
31 H THR 6 H THR 6 19.370 6.226 8.648
32 HA THR 6 HA THR 6 18.056 8.367 7.146
33 HB THR 6 HB THR 6 16.681 5.824 7.964
34 HG1 THR 6 HG1 THR 6 17.715 6.297 5.789
35 1HG2 THR 6 1HG2 THR 6 15.134 7.546 8.658
36 2HG2 THR 6 2HG2 THR 6 14.547 6.714 7.233
37 3HG2 THR 6 3HG2 THR 6 15.258 8.334 7.070
38 H TYR 7 H TYR 7 16.809 9.633 8.506
39 HA TYR 7 HA TYR 7 17.958 10.066 11.118
40 1HB TYR 7 1HB TYR 7 15.771 11.335 9.499
41 2HB TYR 7 2HB TYR 7 15.688 11.581 11.222
42 HD1 TYR 7 HD1 TYR 7 18.294 11.748 8.493
43 HD2 TYR 7 HD2 TYR 7 16.732 13.491 12.117
44 HE1 TYR 7 HE1 TYR 7 20.025 13.491 8.397
45 HE2 TYR 7 HE2 TYR 7 18.469 15.232 12.030
46 HH TYR 7 HH TYR 7 20.437 15.932 11.005
47 HA PRO 8 HA PRO 8 15.250 7.516 13.517
48 1HB PRO 8 1HB PRO 8 15.378 8.582 16.009
49 2HB PRO 8 2HB PRO 8 16.838 7.990 15.183
50 1HG PRO 8 1HG PRO 8 15.831 10.852 15.284
51 2HG PRO 8 2HG PRO 8 17.466 10.245 15.703
52 1HD PRO 8 1HD PRO 8 16.885 11.245 13.232
53 2HD PRO 8 2HD PRO 8 18.026 9.884 13.454
54 H GLY 9 H GLY 9 13.977 10.080 12.126
55 1HA GLY 9 1HA GLY 9 11.458 9.854 12.093
56 2HA GLY 9 2HA GLY 9 11.558 10.417 13.778
57 HA PRO 11 HA PRO 11 12.079 11.270 0.799
58 1HB PRO 11 1HB PRO 11 11.628 8.599 0.473
59 2HB PRO 11 2HB PRO 11 13.221 9.228 1.004
60 1HG PRO 11 1HG PRO 11 10.997 8.116 2.733
61 2HG PRO 11 2HG PRO 11 12.746 7.716 2.765
62 1HD PRO 11 1HD PRO 11 11.558 9.551 4.453
63 2HD PRO 11 2HD PRO 11 13.255 9.716 3.918
64 H VAL 12 H VAL 12 10.342 10.663 -0.769
65 HA VAL 12 HA VAL 12 7.639 10.511 0.490
66 HB VAL 12 HB VAL 12 8.373 12.205 -1.909
67 1HG1 VAL 12 1HG1 VAL 12 6.140 13.195 -1.529
68 2HG1 VAL 12 2HG1 VAL 12 6.033 11.476 -1.911
69 3HG1 VAL 12 3HG1 VAL 12 5.853 12.008 -0.232
70 1HG2 VAL 12 1HG2 VAL 12 7.956 14.159 -0.356
71 2HG2 VAL 12 2HG2 VAL 12 7.902 13.025 1.003
72 3HG2 VAL 12 3HG2 VAL 12 9.401 13.248 0.083
73 H GLU 13 H GLU 13 9.794 9.437 -2.141
74 HA GLU 13 HA GLU 13 7.766 8.185 -3.683
75 1HB GLU 13 1HB GLU 13 9.507 7.148 -4.861
76 2HB GLU 13 2HB GLU 13 10.141 8.685 -4.333
77 1HG GLU 13 1HG GLU 13 11.943 7.346 -3.867
78 2HG GLU 13 2HG GLU 13 11.159 7.343 -2.298
79 H ASP 14 H ASP 14 9.553 7.148 -0.866
80 HA ASP 14 HA ASP 14 8.729 4.465 -0.611
81 1HB ASP 14 1HB ASP 14 10.602 5.559 0.623
82 2HB ASP 14 2HB ASP 14 9.461 6.566 1.477
83 H LEU 15 H LEU 15 7.403 7.498 0.607
84 HA LEU 15 HA LEU 15 5.295 6.585 2.181
85 1HB LEU 15 1HB LEU 15 6.452 8.978 1.622
86 2HB LEU 15 2HB LEU 15 5.086 9.107 0.523
87 HG LEU 15 HG LEU 15 4.561 10.208 2.467
88 1HD1 LEU 15 1HD1 LEU 15 3.081 7.571 2.743
89 2HD1 LEU 15 2HD1 LEU 15 2.696 8.825 1.548
90 3HD1 LEU 15 3HD1 LEU 15 2.533 9.149 3.300
91 1HD2 LEU 15 1HD2 LEU 15 6.102 9.486 4.082
92 2HD2 LEU 15 2HD2 LEU 15 5.557 7.806 4.004
93 3HD2 LEU 15 3HD2 LEU 15 4.520 9.024 4.741
94 H ILE 16 H ILE 16 5.362 7.512 -1.324
95 HA ILE 16 HA ILE 16 2.633 6.915 -1.773
96 HB ILE 16 HB ILE 16 4.897 6.736 -3.788
97 1HG1 ILE 16 1HG1 ILE 16 4.933 8.956 -2.870
98 2HG1 ILE 16 2HG1 ILE 16 4.248 9.029 -4.467
99 1HG2 ILE 16 1HG2 ILE 16 2.935 5.704 -4.769
100 2HG2 ILE 16 2HG2 ILE 16 1.887 7.012 -4.216
101 3HG2 ILE 16 3HG2 ILE 16 3.110 7.289 -5.480
102 1HD1 ILE 16 1HD1 ILE 16 2.691 9.175 -1.845
103 2HD1 ILE 16 2HD1 ILE 16 3.058 10.513 -2.937
104 3HD1 ILE 16 3HD1 ILE 16 1.960 9.232 -3.471
105 H ARG 17 H ARG 17 5.284 4.600 -1.314
106 HA ARG 17 HA ARG 17 3.700 2.442 -2.581
107 1HB ARG 17 1HB ARG 17 6.139 2.279 -0.707
108 2HB ARG 17 2HB ARG 17 5.464 0.930 -1.603
109 1HG ARG 17 1HG ARG 17 6.640 3.398 -2.956
110 2HG ARG 17 2HG ARG 17 7.584 1.981 -2.516
111 1HD ARG 17 1HD ARG 17 6.201 0.536 -3.937
112 2HD ARG 17 2HD ARG 17 5.139 1.904 -4.310
113 HE ARG 17 HE ARG 17 8.026 2.169 -4.953
114 1HH1 ARG 17 1HH1 ARG 17 4.828 1.360 -6.303
115 2HH1 ARG 17 2HH1 ARG 17 5.150 2.078 -7.840
116 1HH2 ARG 17 1HH2 ARG 17 8.531 2.848 -6.944
117 2HH2 ARG 17 2HH2 ARG 17 7.397 2.880 -8.272
118 H PHE 18 H PHE 18 4.640 3.254 0.760
119 HA PHE 18 HA PHE 18 2.989 1.293 1.957
120 1HB PHE 18 1HB PHE 18 4.875 2.801 2.880
121 2HB PHE 18 2HB PHE 18 3.654 4.042 3.061
122 HD1 PHE 18 HD1 PHE 18 2.129 3.967 4.967
123 HD2 PHE 18 HD2 PHE 18 4.734 0.635 4.117
124 HE1 PHE 18 HE1 PHE 18 1.733 3.069 7.238
125 HE2 PHE 18 HE2 PHE 18 4.282 -0.285 6.367
126 HZ PHE 18 HZ PHE 18 2.804 0.933 7.949
127 H TYR 19 H TYR 19 2.293 4.516 0.707
128 HA TYR 19 HA TYR 19 -0.315 4.786 1.946
129 1HB TYR 19 1HB TYR 19 1.134 6.655 0.955
130 2HB TYR 19 2HB TYR 19 0.561 6.181 -0.630
131 HD1 TYR 19 HD1 TYR 19 -2.235 5.904 -0.684
132 HD2 TYR 19 HD2 TYR 19 0.062 8.366 2.027
133 HE1 TYR 19 HE1 TYR 19 -4.281 7.111 -0.042
134 HE2 TYR 19 HE2 TYR 19 -1.951 9.686 2.524
135 HH TYR 19 HH TYR 19 -4.222 9.828 2.283
136 H ASN 20 H ASN 20 0.839 3.968 -1.301
137 HA ASN 20 HA ASN 20 -1.630 3.450 -2.551
138 1HB ASN 20 1HB ASN 20 0.477 3.684 -3.731
139 2HB ASN 20 2HB ASN 20 1.075 2.154 -3.051
140 1HD2 ASN 20 2HD2 ASN 20 0.207 0.135 -3.981
141 2HD2 ASN 20 1HD2 ASN 20 -0.487 0.303 -5.580
142 H ASP 21 H ASP 21 0.441 1.321 -0.550
143 HA ASP 21 HA ASP 21 -1.156 -1.036 -0.941
144 1HB ASP 21 1HB ASP 21 1.231 -1.020 -0.199
145 2HB ASP 21 2HB ASP 21 0.729 -0.331 1.351
146 H LEU 22 H LEU 22 -0.994 1.332 1.776
147 HA LEU 22 HA LEU 22 -3.015 0.266 3.380
148 1HB LEU 22 1HB LEU 22 -2.103 3.118 2.856
149 2HB LEU 22 2HB LEU 22 -3.419 2.795 3.966
150 HG LEU 22 HG LEU 22 -0.701 1.493 4.336
151 1HD1 LEU 22 1HD1 LEU 22 -1.746 4.119 5.495
152 2HD1 LEU 22 2HD1 LEU 22 -0.398 3.941 4.344
153 3HD1 LEU 22 3HD1 LEU 22 -0.256 3.302 5.983
154 1HD2 LEU 22 1HD2 LEU 22 -2.598 0.495 5.591
155 2HD2 LEU 22 2HD2 LEU 22 -2.985 2.087 6.275
156 3HD2 LEU 22 3HD2 LEU 22 -1.439 1.306 6.660
157 H GLN 23 H GLN 23 -3.393 2.682 0.724
158 HA GLN 23 HA GLN 23 -6.273 2.677 1.061
159 1HB GLN 23 1HB GLN 23 -6.455 4.098 -0.796
160 2HB GLN 23 2HB GLN 23 -5.055 4.600 0.136
161 1HG GLN 23 1HG GLN 23 -4.388 4.802 -2.091
162 2HG GLN 23 2HG GLN 23 -3.620 3.334 -1.531
163 1HE2 GLN 23 2HE2 GLN 23 -3.588 1.849 -3.157
164 2HE2 GLN 23 1HE2 GLN 23 -4.723 1.700 -4.467
165 H GLN 24 H GLN 24 -4.063 0.589 -0.819
166 HA GLN 24 HA GLN 24 -6.116 -0.385 -2.559
167 1HB GLN 24 1HB GLN 24 -3.657 -0.614 -2.937
168 2HB GLN 24 2HB GLN 24 -3.633 -1.909 -1.733
169 1HG GLN 24 1HG GLN 24 -5.080 -3.276 -3.108
170 2HG GLN 24 2HG GLN 24 -5.472 -1.915 -4.169
171 1HE2 GLN 24 2HE2 GLN 24 -3.311 -0.811 -5.172
172 2HE2 GLN 24 1HE2 GLN 24 -2.220 -1.969 -5.862
173 H TYR 25 H TYR 25 -4.889 -1.321 0.608
174 HA TYR 25 HA TYR 25 -6.591 -3.577 0.983
175 1HB TYR 25 1HB TYR 25 -4.562 -2.820 2.392
176 2HB TYR 25 2HB TYR 25 -5.666 -1.714 3.202
177 HD1 TYR 25 HD1 TYR 25 -6.647 -2.537 5.212
178 HD2 TYR 25 HD2 TYR 25 -5.437 -5.316 2.146
179 HE1 TYR 25 HE1 TYR 25 -7.454 -4.446 6.607
180 HE2 TYR 25 HE2 TYR 25 -6.234 -7.202 3.529
181 HH TYR 25 HH TYR 25 -7.463 -7.821 5.415
182 H LEU 26 H LEU 26 -7.311 -0.151 1.035
183 HA LEU 26 HA LEU 26 -9.947 -0.663 2.254
184 1HB LEU 26 1HB LEU 26 -8.580 1.926 1.403
185 2HB LEU 26 2HB LEU 26 -10.183 1.853 2.123
186 HG LEU 26 HG LEU 26 -7.660 0.888 3.528
187 1HD1 LEU 26 1HD1 LEU 26 -7.601 3.313 3.087
188 2HD1 LEU 26 2HD1 LEU 26 -7.820 2.971 4.810
189 3HD1 LEU 26 3HD1 LEU 26 -9.204 3.503 3.828
190 1HD2 LEU 26 1HD2 LEU 26 -9.096 1.036 5.568
191 2HD2 LEU 26 2HD2 LEU 26 -9.638 -0.198 4.437
192 3HD2 LEU 26 3HD2 LEU 26 -10.501 1.359 4.534
193 H ASN 27 H ASN 27 -8.590 -0.605 -0.777
194 HA ASN 27 HA ASN 27 -11.181 0.065 -2.067
195 1HB ASN 27 1HB ASN 27 -8.380 0.490 -2.832
196 2HB ASN 27 2HB ASN 27 -9.191 -0.462 -4.053
197 1HD2 ASN 27 2HD2 ASN 27 -8.279 2.552 -3.707
198 2HD2 ASN 27 1HD2 ASN 27 -9.685 3.391 -4.344
199 H VAL 28 H VAL 28 -9.112 -2.659 -1.466
200 HA VAL 28 HA VAL 28 -10.832 -4.262 -3.292
201 HB VAL 28 HB VAL 28 -8.260 -5.006 -1.853
202 1HG1 VAL 28 1HG1 VAL 28 -9.877 -6.407 -4.036
203 2HG1 VAL 28 2HG1 VAL 28 -8.197 -6.800 -3.704
204 3HG1 VAL 28 3HG1 VAL 28 -9.416 -7.045 -2.446
205 1HG2 VAL 28 1HG2 VAL 28 -8.781 -4.078 -4.699
206 2HG2 VAL 28 2HG2 VAL 28 -7.803 -3.222 -3.490
207 3HG2 VAL 28 3HG2 VAL 28 -7.225 -4.755 -4.143
208 H VAL 29 H VAL 29 -10.527 -3.555 0.017
209 HA VAL 29 HA VAL 29 -12.047 -6.048 0.712
210 HB VAL 29 HB VAL 29 -10.697 -4.067 2.544
211 1HG1 VAL 29 1HG1 VAL 29 -11.954 -6.780 3.085
212 2HG1 VAL 29 2HG1 VAL 29 -10.971 -5.858 4.250
213 3HG1 VAL 29 3HG1 VAL 29 -12.516 -5.208 3.698
214 1HG2 VAL 29 1HG2 VAL 29 -9.799 -6.768 1.470
215 2HG2 VAL 29 2HG2 VAL 29 -8.978 -5.217 1.261
216 3HG2 VAL 29 3HG2 VAL 29 -9.038 -5.958 2.860
217 H THR 30 H THR 30 -12.196 -2.582 1.509
218 HA THR 30 HA THR 30 -14.866 -2.805 2.453
219 HB THR 30 HB THR 30 -14.411 -0.155 1.505
220 HG1 THR 30 HG1 THR 30 -12.292 -0.162 1.705
221 1HG2 THR 30 1HG2 THR 30 -14.341 0.373 3.979
222 2HG2 THR 30 2HG2 THR 30 -14.544 -1.371 4.275
223 3HG2 THR 30 3HG2 THR 30 -15.782 -0.441 3.406
224 H ARG 31 H ARG 31 -13.658 -2.450 -0.859
225 HA ARG 31 HA ARG 31 -16.178 -1.660 -1.966
226 1HB ARG 31 1HB ARG 31 -13.888 -1.456 -2.994
227 2HB ARG 31 2HB ARG 31 -13.941 -3.192 -3.326
228 1HG ARG 31 1HG ARG 31 -14.481 -2.040 -5.345
229 2HG ARG 31 2HG ARG 31 -15.973 -2.765 -4.778
230 1HD ARG 31 1HD ARG 31 -16.409 -0.515 -5.569
231 2HD ARG 31 2HD ARG 31 -16.666 -0.563 -3.825
232 HE ARG 31 HE ARG 31 -14.152 0.404 -5.142
233 1HH1 ARG 31 1HH1 ARG 31 -16.843 1.224 -2.955
234 2HH1 ARG 31 2HH1 ARG 31 -16.007 2.564 -2.239
235 1HH2 ARG 31 1HH2 ARG 31 -12.977 2.028 -4.020
236 2HH2 ARG 31 2HH2 ARG 31 -13.872 3.175 -3.078
237 H HIS 32 H HIS 32 -15.200 -4.608 -0.582
238 HA HIS 32 HA HIS 32 -17.256 -6.162 -2.057
239 1HB HIS 32 1HB HIS 32 -14.640 -6.743 -1.821
240 2HB HIS 32 2HB HIS 32 -15.192 -7.469 -0.314
241 HD1 HIS 32 HD1 HIS 32 -17.955 -8.736 -1.384
242 HD2 HIS 32 HD2 HIS 32 -14.270 -8.693 -3.430
243 HE1 HIS 32 HE1 HIS 32 -18.086 -10.560 -3.144
244 H ARG 33 H ARG 33 -16.419 -4.925 1.126
245 HA ARG 33 HA ARG 33 -18.891 -6.261 2.167
246 1HB ARG 33 1HB ARG 33 -17.878 -6.835 4.212
247 2HB ARG 33 2HB ARG 33 -16.863 -7.455 2.916
248 1HG ARG 33 1HG ARG 33 -15.218 -5.657 3.283
249 2HG ARG 33 2HG ARG 33 -16.292 -4.870 4.431
250 1HD ARG 33 1HD ARG 33 -14.827 -5.912 5.845
251 2HD ARG 33 2HD ARG 33 -16.153 -7.064 5.813
252 HE ARG 33 HE ARG 33 -13.416 -7.346 4.790
253 1HH1 ARG 33 1HH1 ARG 33 -16.595 -8.954 5.038
254 2HH1 ARG 33 2HH1 ARG 33 -16.030 -10.401 4.292
255 1HH2 ARG 33 1HH2 ARG 33 -12.661 -9.319 4.191
256 2HH2 ARG 33 2HH2 ARG 33 -13.705 -10.673 3.918
257 H TYR 34 H TYR 34 -17.331 -3.153 1.858
258 HA TYR 34 HA TYR 34 -17.569 -1.253 2.796
259 1HB TYR 34 1HB TYR 34 -19.599 -1.664 1.321
260 2HB TYR 34 2HB TYR 34 -20.529 -1.708 2.806
261 HD1 TYR 34 HD1 TYR 34 -21.436 0.396 3.478
262 HD2 TYR 34 HD2 TYR 34 -17.754 0.343 1.213
263 HE1 TYR 34 HE1 TYR 34 -21.320 2.864 3.595
264 HE2 TYR 34 HE2 TYR 34 -17.618 2.794 1.356
265 HH TYR 34 HH TYR 34 -19.948 4.719 3.260
266 1HN NH2 35 1H NH2 35 -16.683 -2.734 4.887
267 2HN NH2 35 2H NH2 35 -17.405 -1.964 6.277
268 2HN ZAB 10 H AZO 10 10.528 11.703 11.261
269 2HA ZAB 10 2HA AZO 10 11.500 14.398 11.814
270 3HA ZAB 10 3HA AZO 10 12.020 13.789 10.241
271 HG2 ZAB 10 HG2 AZO 10 8.722 13.385 12.057
272 HD2 ZAB 10 HD2 AZO 10 6.583 14.175 11.076
273 HE ZAB 10 HE AZO 10 6.571 15.359 8.886
274 HG1 ZAB 10 HG1 AZO 10 10.833 14.943 8.642
275 HJ2 ZAB 10 HJ2 AZO 10 11.440 17.271 6.945
276 HK2 ZAB 10 HK2 AZO 10 13.733 16.373 6.384
277 HL ZAB 10 HL AZO 10 13.953 14.100 5.431
278 HJ1 ZAB 10 HJ1 AZO 10 9.657 13.663 5.464
279 2HM ZAB 10 2HM AZO 10 12.937 11.941 5.127
280 3HM ZAB 10 3HM AZO 10 11.212 11.703 5.431
Start of MODEL 20
1 1H GLY 1 H GLY 1 9.215 -15.953 -0.326
2 1HA GLY 1 1HA GLY 1 7.926 -17.544 1.027
3 2HA GLY 1 2HA GLY 1 9.431 -17.969 1.846
4 HA PRO 2 HA PRO 2 7.767 -14.734 4.539
5 1HB PRO 2 1HB PRO 2 9.488 -14.985 6.642
6 2HB PRO 2 2HB PRO 2 8.116 -16.096 6.328
7 1HG PRO 2 1HG PRO 2 11.028 -16.517 5.700
8 2HG PRO 2 2HG PRO 2 9.856 -17.674 6.370
9 1HD PRO 2 1HD PRO 2 10.535 -17.597 3.686
10 2HD PRO 2 2HD PRO 2 8.934 -18.132 4.268
11 H SER 3 H SER 3 8.196 -12.939 3.374
12 HA SER 3 HA SER 3 10.857 -12.018 2.701
13 1HB SER 3 1HB SER 3 8.245 -10.531 2.216
14 2HB SER 3 2HB SER 3 9.752 -10.479 1.290
15 HG SER 3 HG SER 3 9.338 -12.647 0.696
16 H GLN 4 H GLN 4 8.014 -10.363 4.041
17 HA GLN 4 HA GLN 4 7.902 -8.538 5.392
18 1HB GLN 4 1HB GLN 4 8.605 -10.856 7.239
19 2HB GLN 4 2HB GLN 4 7.789 -9.380 7.712
20 1HG GLN 4 1HG GLN 4 5.943 -10.651 7.367
21 2HG GLN 4 2HG GLN 4 6.103 -10.038 5.734
22 1HE2 GLN 4 2HE2 GLN 4 6.704 -12.785 7.889
23 2HE2 GLN 4 1HE2 GLN 4 6.561 -14.018 6.668
24 HA PRO 5 HA PRO 5 12.428 -7.611 6.022
25 1HB PRO 5 1HB PRO 5 12.768 -5.512 4.327
26 2HB PRO 5 2HB PRO 5 12.763 -7.197 3.730
27 1HG PRO 5 1HG PRO 5 10.445 -5.232 3.768
28 2HG PRO 5 2HG PRO 5 11.042 -6.205 2.385
29 1HD PRO 5 1HD PRO 5 8.946 -7.013 3.960
30 2HD PRO 5 2HD PRO 5 10.108 -8.176 3.250
31 H THR 6 H THR 6 13.294 -5.264 6.646
32 HA THR 6 HA THR 6 11.147 -3.689 7.953
33 HB THR 6 HB THR 6 12.298 -5.340 9.423
34 HG1 THR 6 HG1 THR 6 12.604 -2.910 10.682
35 1HG2 THR 6 1HG2 THR 6 14.570 -3.322 9.491
36 2HG2 THR 6 2HG2 THR 6 14.652 -4.931 8.740
37 3HG2 THR 6 3HG2 THR 6 14.407 -4.778 10.489
38 H TYR 7 H TYR 7 11.862 -1.611 8.584
39 HA TYR 7 HA TYR 7 13.922 -0.382 6.778
40 1HB TYR 7 1HB TYR 7 12.340 1.457 6.303
41 2HB TYR 7 2HB TYR 7 11.829 -0.084 5.672
42 HD1 TYR 7 HD1 TYR 7 10.899 2.744 7.720
43 HD2 TYR 7 HD2 TYR 7 9.944 -1.386 6.839
44 HE1 TYR 7 HE1 TYR 7 8.654 3.045 8.704
45 HE2 TYR 7 HE2 TYR 7 7.714 -1.088 7.811
46 HH TYR 7 HH TYR 7 6.266 0.372 8.929
47 HA PRO 8 HA PRO 8 15.197 1.666 10.465
48 1HB PRO 8 1HB PRO 8 16.224 4.084 9.602
49 2HB PRO 8 2HB PRO 8 16.965 2.491 9.280
50 1HG PRO 8 1HG PRO 8 15.097 4.071 7.471
51 2HG PRO 8 2HG PRO 8 16.698 3.360 7.064
52 1HD PRO 8 1HD PRO 8 14.427 2.042 6.478
53 2HD PRO 8 2HD PRO 8 15.834 1.150 7.124
54 H GLY 9 H GLY 9 12.267 2.269 9.504
55 1HA GLY 9 1HA GLY 9 10.519 3.241 10.665
56 2HA GLY 9 2HA GLY 9 11.648 4.236 11.581
57 HA PRO 11 HA PRO 11 13.243 7.946 -1.095
58 1HB PRO 11 1HB PRO 11 11.547 5.919 -0.381
59 2HB PRO 11 2HB PRO 11 13.308 5.915 -0.129
60 1HG PRO 11 1HG PRO 11 11.183 6.683 1.911
61 2HG PRO 11 2HG PRO 11 12.575 5.578 2.117
62 1HD PRO 11 1HD PRO 11 12.653 8.161 2.905
63 2HD PRO 11 2HD PRO 11 14.087 7.406 2.154
64 H VAL 12 H VAL 12 12.148 9.102 -2.482
65 HA VAL 12 HA VAL 12 9.676 10.490 -1.975
66 HB VAL 12 HB VAL 12 11.221 9.896 -4.551
67 1HG1 VAL 12 1HG1 VAL 12 8.933 10.698 -5.053
68 2HG1 VAL 12 2HG1 VAL 12 9.192 12.094 -3.979
69 3HG1 VAL 12 3HG1 VAL 12 10.142 11.912 -5.469
70 1HG2 VAL 12 1HG2 VAL 12 12.644 11.116 -2.930
71 2HG2 VAL 12 2HG2 VAL 12 12.183 12.160 -4.261
72 3HG2 VAL 12 3HG2 VAL 12 11.352 12.320 -2.706
73 H GLU 13 H GLU 13 10.600 7.381 -3.417
74 HA GLU 13 HA GLU 13 7.960 6.808 -4.517
75 1HB GLU 13 1HB GLU 13 10.468 5.141 -4.122
76 2HB GLU 13 2HB GLU 13 9.004 4.602 -4.960
77 1HG GLU 13 1HG GLU 13 9.223 6.487 -6.577
78 2HG GLU 13 2HG GLU 13 10.692 7.030 -5.770
79 H ASP 14 H ASP 14 9.803 5.678 -1.639
80 HA ASP 14 HA ASP 14 7.971 3.762 -0.747
81 1HB ASP 14 1HB ASP 14 10.204 4.133 0.246
82 2HB ASP 14 2HB ASP 14 9.626 5.672 0.887
83 H LEU 15 H LEU 15 7.933 7.255 -0.291
84 HA LEU 15 HA LEU 15 5.893 7.378 1.636
85 1HB LEU 15 1HB LEU 15 7.374 9.242 -0.056
86 2HB LEU 15 2HB LEU 15 5.692 9.715 0.026
87 HG LEU 15 HG LEU 15 7.420 9.086 2.464
88 1HD1 LEU 15 1HD1 LEU 15 7.559 11.499 2.820
89 2HD1 LEU 15 2HD1 LEU 15 6.607 11.797 1.343
90 3HD1 LEU 15 3HD1 LEU 15 8.228 11.064 1.235
91 1HD2 LEU 15 1HD2 LEU 15 5.652 10.270 3.748
92 2HD2 LEU 15 2HD2 LEU 15 5.013 8.836 2.979
93 3HD2 LEU 15 3HD2 LEU 15 4.674 10.424 2.271
94 H ILE 16 H ILE 16 5.746 6.860 -1.825
95 HA ILE 16 HA ILE 16 2.821 7.218 -1.954
96 HB ILE 16 HB ILE 16 4.778 6.372 -4.127
97 1HG1 ILE 16 1HG1 ILE 16 5.477 8.557 -3.543
98 2HG1 ILE 16 2HG1 ILE 16 4.581 8.643 -5.049
99 1HG2 ILE 16 1HG2 ILE 16 2.501 5.693 -4.656
100 2HG2 ILE 16 2HG2 ILE 16 1.882 7.312 -4.266
101 3HG2 ILE 16 3HG2 ILE 16 2.943 7.069 -5.668
102 1HD1 ILE 16 1HD1 ILE 16 2.590 9.500 -3.740
103 2HD1 ILE 16 2HD1 ILE 16 3.644 9.529 -2.300
104 3HD1 ILE 16 3HD1 ILE 16 4.020 10.550 -3.691
105 H ARG 17 H ARG 17 5.345 4.667 -2.296
106 HA ARG 17 HA ARG 17 3.582 2.583 -2.889
107 1HB ARG 17 1HB ARG 17 6.219 2.456 -1.348
108 2HB ARG 17 2HB ARG 17 5.394 1.032 -1.938
109 1HG ARG 17 1HG ARG 17 6.427 3.203 -3.804
110 2HG ARG 17 2HG ARG 17 7.388 1.831 -3.251
111 1HD ARG 17 1HD ARG 17 5.573 0.310 -4.207
112 2HD ARG 17 2HD ARG 17 4.882 1.757 -4.956
113 HE ARG 17 HE ARG 17 7.692 0.796 -5.404
114 1HH1 ARG 17 1HH1 ARG 17 4.567 1.352 -6.867
115 2HH1 ARG 17 2HH1 ARG 17 5.140 1.598 -8.461
116 1HH2 ARG 17 1HH2 ARG 17 8.573 1.133 -7.493
117 2HH2 ARG 17 2HH2 ARG 17 7.526 1.381 -8.841
118 H PHE 18 H PHE 18 4.721 3.420 0.420
119 HA PHE 18 HA PHE 18 3.130 1.323 1.570
120 1HB PHE 18 1HB PHE 18 4.991 2.381 2.734
121 2HB PHE 18 2HB PHE 18 4.185 3.929 2.691
122 HD1 PHE 18 HD1 PHE 18 4.207 4.412 5.016
123 HD2 PHE 18 HD2 PHE 18 2.525 0.663 3.655
124 HE1 PHE 18 HE1 PHE 18 3.260 4.003 7.263
125 HE2 PHE 18 HE2 PHE 18 1.565 0.292 5.885
126 HZ PHE 18 HZ PHE 18 1.913 1.985 7.701
127 H TYR 19 H TYR 19 2.348 4.622 0.489
128 HA TYR 19 HA TYR 19 -0.187 4.689 1.877
129 1HB TYR 19 1HB TYR 19 1.319 6.527 0.376
130 2HB TYR 19 2HB TYR 19 -0.145 6.331 -0.557
131 HD1 TYR 19 HD1 TYR 19 -2.357 6.119 1.253
132 HD2 TYR 19 HD2 TYR 19 1.279 8.404 1.741
133 HE1 TYR 19 HE1 TYR 19 -3.512 7.614 2.849
134 HE2 TYR 19 HE2 TYR 19 0.130 9.918 3.290
135 HH TYR 19 HH TYR 19 -3.090 9.316 4.608
136 H ASN 20 H ASN 20 0.850 3.852 -1.352
137 HA ASN 20 HA ASN 20 -1.612 3.271 -2.642
138 1HB ASN 20 1HB ASN 20 0.440 3.585 -3.853
139 2HB ASN 20 2HB ASN 20 1.227 2.255 -3.022
140 1HD2 ASN 20 2HD2 ASN 20 1.077 0.149 -3.880
141 2HD2 ASN 20 1HD2 ASN 20 0.127 -0.119 -5.332
142 H ASP 21 H ASP 21 0.383 1.464 -0.374
143 HA ASP 21 HA ASP 21 -0.933 -1.095 -0.857
144 1HB ASP 21 1HB ASP 21 1.440 -0.883 0.024
145 2HB ASP 21 2HB ASP 21 0.777 -0.315 1.552
146 H LEU 22 H LEU 22 -0.906 1.318 1.805
147 HA LEU 22 HA LEU 22 -2.882 0.166 3.427
148 1HB LEU 22 1HB LEU 22 -2.153 3.092 2.944
149 2HB LEU 22 2HB LEU 22 -3.278 2.574 4.193
150 HG LEU 22 HG LEU 22 -0.361 1.729 4.064
151 1HD1 LEU 22 1HD1 LEU 22 -1.792 3.784 5.807
152 2HD1 LEU 22 2HD1 LEU 22 -0.624 4.137 4.515
153 3HD1 LEU 22 3HD1 LEU 22 -0.090 3.294 5.966
154 1HD2 LEU 22 1HD2 LEU 22 -0.730 0.981 6.360
155 2HD2 LEU 22 2HD2 LEU 22 -1.665 0.042 5.212
156 3HD2 LEU 22 3HD2 LEU 22 -2.482 1.287 6.189
157 H GLN 23 H GLN 23 -3.283 2.666 0.880
158 HA GLN 23 HA GLN 23 -6.077 2.807 1.210
159 1HB GLN 23 1HB GLN 23 -6.181 4.048 -0.829
160 2HB GLN 23 2HB GLN 23 -4.694 4.504 0.012
161 1HG GLN 23 1HG GLN 23 -3.449 2.900 -1.487
162 2HG GLN 23 2HG GLN 23 -4.932 2.614 -2.376
163 1HE2 GLN 23 2HE2 GLN 23 -5.647 4.154 -3.868
164 2HE2 GLN 23 1HE2 GLN 23 -4.832 5.705 -4.143
165 H GLN 24 H GLN 24 -4.145 0.435 -0.700
166 HA GLN 24 HA GLN 24 -6.282 -0.509 -2.275
167 1HB GLN 24 1HB GLN 24 -3.457 -1.079 -1.660
168 2HB GLN 24 2HB GLN 24 -4.364 -2.539 -1.677
169 1HG GLN 24 1HG GLN 24 -5.220 -2.030 -3.946
170 2HG GLN 24 2HG GLN 24 -4.311 -0.505 -3.943
171 1HE2 GLN 24 2HE2 GLN 24 -1.900 -0.816 -3.290
172 2HE2 GLN 24 1HE2 GLN 24 -1.066 -2.264 -3.820
173 H TYR 25 H TYR 25 -4.830 -1.466 0.799
174 HA TYR 25 HA TYR 25 -6.594 -3.646 1.358
175 1HB TYR 25 1HB TYR 25 -4.331 -3.265 2.370
176 2HB TYR 25 2HB TYR 25 -4.994 -1.926 3.296
177 HD1 TYR 25 HD1 TYR 25 -5.536 -2.401 5.520
178 HD2 TYR 25 HD2 TYR 25 -5.756 -5.579 2.608
179 HE1 TYR 25 HE1 TYR 25 -6.225 -3.959 7.294
180 HE2 TYR 25 HE2 TYR 25 -6.475 -7.160 4.392
181 HH TYR 25 HH TYR 25 -6.436 -6.322 7.790
182 H LEU 26 H LEU 26 -7.381 -0.431 1.118
183 HA LEU 26 HA LEU 26 -9.789 -0.817 2.790
184 1HB LEU 26 1HB LEU 26 -8.219 1.740 2.243
185 2HB LEU 26 2HB LEU 26 -9.745 1.665 3.143
186 HG LEU 26 HG LEU 26 -7.208 0.221 4.020
187 1HD1 LEU 26 1HD1 LEU 26 -6.771 2.624 4.005
188 2HD1 LEU 26 2HD1 LEU 26 -6.947 2.031 5.668
189 3HD1 LEU 26 3HD1 LEU 26 -8.275 2.932 4.909
190 1HD2 LEU 26 1HD2 LEU 26 -8.385 0.196 6.219
191 2HD2 LEU 26 2HD2 LEU 26 -9.232 -0.738 4.978
192 3HD2 LEU 26 3HD2 LEU 26 -9.812 0.878 5.432
193 H ASN 27 H ASN 27 -8.719 -0.609 -0.316
194 HA ASN 27 HA ASN 27 -11.322 0.418 -1.295
195 1HB ASN 27 1HB ASN 27 -8.522 0.668 -2.283
196 2HB ASN 27 2HB ASN 27 -9.559 -0.011 -3.493
197 1HD2 ASN 27 2HD2 ASN 27 -8.228 2.692 -3.387
198 2HD2 ASN 27 1HD2 ASN 27 -9.582 3.774 -3.626
199 H VAL 28 H VAL 28 -9.226 -2.347 -1.208
200 HA VAL 28 HA VAL 28 -10.891 -3.782 -3.219
201 HB VAL 28 HB VAL 28 -8.472 -4.662 -1.584
202 1HG1 VAL 28 1HG1 VAL 28 -9.932 -6.031 -3.894
203 2HG1 VAL 28 2HG1 VAL 28 -8.358 -6.543 -3.253
204 3HG1 VAL 28 3HG1 VAL 28 -9.785 -6.624 -2.229
205 1HG2 VAL 28 1HG2 VAL 28 -8.646 -3.893 -4.534
206 2HG2 VAL 28 2HG2 VAL 28 -7.891 -2.906 -3.269
207 3HG2 VAL 28 3HG2 VAL 28 -7.205 -4.473 -3.678
208 H VAL 29 H VAL 29 -10.339 -3.407 0.223
209 HA VAL 29 HA VAL 29 -11.762 -5.722 1.059
210 HB VAL 29 HB VAL 29 -10.853 -3.177 2.418
211 1HG1 VAL 29 1HG1 VAL 29 -11.462 -4.135 4.598
212 2HG1 VAL 29 2HG1 VAL 29 -12.915 -3.819 3.660
213 3HG1 VAL 29 3HG1 VAL 29 -12.296 -5.484 3.797
214 1HG2 VAL 29 1HG2 VAL 29 -9.384 -4.807 3.607
215 2HG2 VAL 29 2HG2 VAL 29 -10.138 -6.133 2.720
216 3HG2 VAL 29 3HG2 VAL 29 -9.182 -4.904 1.848
217 H THR 30 H THR 30 -12.789 -2.315 1.094
218 HA THR 30 HA THR 30 -15.467 -2.795 1.691
219 HB THR 30 HB THR 30 -15.671 -0.461 0.863
220 HG1 THR 30 HG1 THR 30 -13.109 0.196 0.677
221 1HG2 THR 30 1HG2 THR 30 -14.212 0.551 2.627
222 2HG2 THR 30 2HG2 THR 30 -13.311 -0.970 2.768
223 3HG2 THR 30 3HG2 THR 30 -15.030 -0.907 3.224
224 H ARG 31 H ARG 31 -13.880 -2.372 -1.464
225 HA ARG 31 HA ARG 31 -16.263 -2.388 -2.967
226 1HB ARG 31 1HB ARG 31 -14.049 -1.639 -3.683
227 2HB ARG 31 2HB ARG 31 -13.497 -3.322 -3.836
228 1HG ARG 31 1HG ARG 31 -14.991 -3.636 -5.750
229 2HG ARG 31 2HG ARG 31 -15.776 -2.075 -5.428
230 1HD ARG 31 1HD ARG 31 -14.204 -1.708 -7.217
231 2HD ARG 31 2HD ARG 31 -13.581 -0.922 -5.775
232 HE ARG 31 HE ARG 31 -12.698 -3.657 -6.581
233 1HH1 ARG 31 1HH1 ARG 31 -11.767 -0.234 -6.105
234 2HH1 ARG 31 2HH1 ARG 31 -10.100 -0.534 -6.456
235 1HH2 ARG 31 1HH2 ARG 31 -10.408 -4.050 -6.658
236 2HH2 ARG 31 2HH2 ARG 31 -9.313 -2.701 -6.676
237 H HIS 32 H HIS 32 -14.917 -5.052 -1.325
238 HA HIS 32 HA HIS 32 -16.633 -6.952 -2.825
239 1HB HIS 32 1HB HIS 32 -13.946 -7.250 -1.467
240 2HB HIS 32 2HB HIS 32 -15.008 -8.626 -1.709
241 HD1 HIS 32 HD1 HIS 32 -15.661 -9.251 -4.309
242 HD2 HIS 32 HD2 HIS 32 -12.742 -6.256 -3.707
243 HE1 HIS 32 HE1 HIS 32 -14.584 -8.826 -6.565
244 H ARG 33 H ARG 33 -16.704 -5.117 -0.050
245 HA ARG 33 HA ARG 33 -18.355 -7.192 1.314
246 1HB ARG 33 1HB ARG 33 -16.182 -6.837 2.452
247 2HB ARG 33 2HB ARG 33 -16.566 -5.131 2.654
248 1HG ARG 33 1HG ARG 33 -16.951 -6.467 4.710
249 2HG ARG 33 2HG ARG 33 -18.391 -5.638 4.160
250 1HD ARG 33 1HD ARG 33 -18.894 -7.922 4.933
251 2HD ARG 33 2HD ARG 33 -19.303 -7.712 3.239
252 HE ARG 33 HE ARG 33 -16.696 -8.909 4.068
253 1HH1 ARG 33 1HH1 ARG 33 -19.902 -9.410 2.497
254 2HH1 ARG 33 2HH1 ARG 33 -19.473 -10.966 1.913
255 1HH2 ARG 33 1HH2 ARG 33 -16.248 -11.083 3.335
256 2HH2 ARG 33 2HH2 ARG 33 -17.506 -11.942 2.494
257 H TYR 34 H TYR 34 -18.162 -3.786 0.268
258 HA TYR 34 HA TYR 34 -20.821 -3.272 1.451
259 1HB TYR 34 1HB TYR 34 -18.712 -1.835 1.888
260 2HB TYR 34 2HB TYR 34 -18.869 -1.313 0.212
261 HD1 TYR 34 HD1 TYR 34 -20.461 0.424 -0.353
262 HD2 TYR 34 HD2 TYR 34 -20.564 -1.433 3.539
263 HE1 TYR 34 HE1 TYR 34 -21.938 2.222 0.456
264 HE2 TYR 34 HE2 TYR 34 -22.063 0.365 4.357
265 HH TYR 34 HH TYR 34 -23.498 2.814 2.270
266 1HN NH2 35 1H NH2 35 -19.718 -4.684 -1.329
267 2HN NH2 35 2H NH2 35 -20.708 -3.905 -2.520
268 2HN ZAB 10 H AZO 10 12.748 4.877 8.668
269 2HA ZAB 10 2HA AZO 10 10.757 6.390 7.281
270 3HA ZAB 10 3HA AZO 10 11.727 7.447 8.346
271 HG2 ZAB 10 HG2 AZO 10 11.908 4.903 5.600
272 HD2 ZAB 10 HD2 AZO 10 13.806 4.746 4.017
273 HE ZAB 10 HE AZO 10 15.795 6.203 4.306
274 HG1 ZAB 10 HG1 AZO 10 14.016 7.927 7.834
275 HJ2 ZAB 10 HJ2 AZO 10 18.549 8.197 3.564
276 HK2 ZAB 10 HK2 AZO 10 18.201 8.831 1.201
277 HL ZAB 10 HL AZO 10 16.108 9.948 0.494
278 HJ1 ZAB 10 HJ1 AZO 10 14.611 9.648 4.540
279 2HM ZAB 10 2HM AZO 10 13.204 10.442 2.915
280 3HM ZAB 10 3HM AZO 10 14.077 11.593 1.896