Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21114 | 2h3t RC | 7232 | 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 13.558 0.292 -15.802
2 1HA GLY 1 1HA GLY 1 11.485 0.877 -13.769
3 2HA GLY 1 2HA GLY 1 12.380 -0.652 -13.837
4 HA PRO 2 HA PRO 2 14.681 2.411 -11.107
5 1HB PRO 2 1HB PRO 2 14.959 0.790 -8.901
6 2HB PRO 2 2HB PRO 2 13.513 1.810 -9.189
7 1HG PRO 2 1HG PRO 2 13.898 -1.124 -9.838
8 2HG PRO 2 2HG PRO 2 12.527 -0.355 -8.977
9 1HD PRO 2 1HD PRO 2 12.374 -0.934 -11.621
10 2HD PRO 2 2HD PRO 2 11.681 0.583 -10.981
11 H SER 3 H SER 3 16.981 2.272 -10.591
12 HA SER 3 HA SER 3 18.369 0.293 -12.249
13 1HB SER 3 1HB SER 3 20.349 1.723 -11.488
14 2HB SER 3 2HB SER 3 19.108 2.536 -12.457
15 HG SER 3 HG SER 3 19.917 3.012 -9.896
16 H GLN 4 H GLN 4 17.546 0.728 -8.902
17 HA GLN 4 HA GLN 4 19.165 -1.647 -8.148
18 1HB GLN 4 1HB GLN 4 19.732 -0.397 -5.995
19 2HB GLN 4 2HB GLN 4 20.637 -0.002 -7.452
20 1HG GLN 4 1HG GLN 4 19.369 2.062 -7.780
21 2HG GLN 4 2HG GLN 4 18.280 1.648 -6.461
22 1HE2 GLN 4 2HE2 GLN 4 21.683 2.475 -7.210
23 2HE2 GLN 4 1HE2 GLN 4 21.988 3.189 -5.639
24 HA PRO 5 HA PRO 5 14.713 -1.724 -6.805
25 1HB PRO 5 1HB PRO 5 14.248 -4.384 -7.393
26 2HB PRO 5 2HB PRO 5 14.050 -3.060 -8.577
27 1HG PRO 5 1HG PRO 5 16.383 -4.942 -8.215
28 2HG PRO 5 2HG PRO 5 15.607 -4.406 -9.731
29 1HD PRO 5 1HD PRO 5 17.920 -3.295 -8.781
30 2HD PRO 5 2HD PRO 5 16.712 -2.338 -9.690
31 H THR 6 H THR 6 14.143 -2.321 -4.709
32 HA THR 6 HA THR 6 16.245 -3.419 -3.042
33 HB THR 6 HB THR 6 14.601 -1.548 -2.479
34 HG1 THR 6 HG1 THR 6 14.444 -3.424 -0.433
35 1HG2 THR 6 1HG2 THR 6 12.727 -3.806 -1.694
36 2HG2 THR 6 2HG2 THR 6 12.509 -2.817 -3.135
37 3HG2 THR 6 3HG2 THR 6 12.456 -2.059 -1.530
38 H TYR 7 H TYR 7 16.080 -5.445 -1.841
39 HA TYR 7 HA TYR 7 14.069 -7.413 -2.840
40 1HB TYR 7 1HB TYR 7 16.154 -8.988 -2.764
41 2HB TYR 7 2HB TYR 7 15.913 -7.920 -4.130
42 HD1 TYR 7 HD1 TYR 7 17.615 -6.502 -4.828
43 HD2 TYR 7 HD2 TYR 7 17.739 -8.057 -0.808
44 HE1 TYR 7 HE1 TYR 7 19.892 -5.586 -4.553
45 HE2 TYR 7 HE2 TYR 7 20.002 -7.112 -0.509
46 HH TYR 7 HH TYR 7 21.849 -5.733 -3.195
47 HA PRO 8 HA PRO 8 13.826 -8.545 1.451
48 1HB PRO 8 1HB PRO 8 13.050 -11.139 1.402
49 2HB PRO 8 2HB PRO 8 12.040 -9.879 0.633
50 1HG PRO 8 1HG PRO 8 14.117 -11.665 -0.694
51 2HG PRO 8 2HG PRO 8 12.410 -11.457 -1.184
52 1HD PRO 8 1HD PRO 8 14.418 -10.049 -2.321
53 2HD PRO 8 2HD PRO 8 12.826 -9.297 -2.040
54 H GLY 9 H GLY 9 14.674 -10.568 2.978
55 1HA GLY 9 1HA GLY 9 16.473 -11.872 3.665
56 2HA GLY 9 2HA GLY 9 17.112 -11.808 2.033
57 HA PRO 11 HA PRO 11 13.036 3.247 1.950
58 1HB PRO 11 1HB PRO 11 11.026 2.385 0.278
59 2HB PRO 11 2HB PRO 11 12.758 2.340 -0.178
60 1HG PRO 11 1HG PRO 11 11.044 0.082 0.890
61 2HG PRO 11 2HG PRO 11 12.207 0.049 -0.476
62 1HD PRO 11 1HD PRO 11 12.839 -0.834 2.033
63 2HD PRO 11 2HD PRO 11 14.052 -0.066 0.972
64 H VAL 12 H VAL 12 11.204 4.521 2.711
65 HA VAL 12 HA VAL 12 9.174 2.991 4.212
66 HB VAL 12 HB VAL 12 9.625 5.435 5.524
67 1HG1 VAL 12 1HG1 VAL 12 8.845 3.289 6.470
68 2HG1 VAL 12 2HG1 VAL 12 10.462 2.596 6.245
69 3HG1 VAL 12 3HG1 VAL 12 10.214 3.928 7.407
70 1HG2 VAL 12 1HG2 VAL 12 11.918 5.254 6.391
71 2HG2 VAL 12 2HG2 VAL 12 12.305 4.055 5.153
72 3HG2 VAL 12 3HG2 VAL 12 11.885 5.713 4.682
73 H GLU 13 H GLU 13 9.965 6.054 2.473
74 HA GLU 13 HA GLU 13 7.299 7.003 2.697
75 1HB GLU 13 1HB GLU 13 9.409 8.324 2.045
76 2HB GLU 13 2HB GLU 13 9.279 7.604 0.445
77 1HG GLU 13 1HG GLU 13 8.221 9.713 0.264
78 2HG GLU 13 2HG GLU 13 6.879 8.581 0.382
79 H ASP 14 H ASP 14 8.975 5.363 -0.014
80 HA ASP 14 HA ASP 14 6.694 4.990 -1.640
81 1HB ASP 14 1HB ASP 14 9.287 3.406 -1.391
82 2HB ASP 14 2HB ASP 14 8.067 3.078 -2.625
83 H LEU 15 H LEU 15 7.763 3.272 1.201
84 HA LEU 15 HA LEU 15 6.327 0.797 0.749
85 1HB LEU 15 1HB LEU 15 8.424 1.096 2.148
86 2HB LEU 15 2HB LEU 15 7.446 1.980 3.319
87 HG LEU 15 HG LEU 15 6.032 -0.060 3.627
88 1HD1 LEU 15 1HD1 LEU 15 6.505 -1.237 1.508
89 2HD1 LEU 15 2HD1 LEU 15 6.992 -2.238 2.873
90 3HD1 LEU 15 3HD1 LEU 15 8.228 -1.369 1.941
91 1HD2 LEU 15 1HD2 LEU 15 9.025 -0.372 4.146
92 2HD2 LEU 15 2HD2 LEU 15 7.744 -1.259 4.985
93 3HD2 LEU 15 3HD2 LEU 15 7.880 0.504 5.178
94 H ILE 16 H ILE 16 5.784 3.577 3.045
95 HA ILE 16 HA ILE 16 3.146 2.587 3.668
96 HB ILE 16 HB ILE 16 2.828 4.616 4.909
97 1HG1 ILE 16 1HG1 ILE 16 5.298 5.648 3.467
98 2HG1 ILE 16 2HG1 ILE 16 3.674 6.301 3.434
99 1HG2 ILE 16 1HG2 ILE 16 4.256 2.722 5.766
100 2HG2 ILE 16 2HG2 ILE 16 5.696 3.654 5.312
101 3HG2 ILE 16 3HG2 ILE 16 4.571 4.277 6.535
102 1HD1 ILE 16 1HD1 ILE 16 5.548 6.271 5.823
103 2HD1 ILE 16 2HD1 ILE 16 5.119 7.656 4.825
104 3HD1 ILE 16 3HD1 ILE 16 3.872 6.894 5.833
105 H ARG 17 H ARG 17 4.373 4.798 1.157
106 HA ARG 17 HA ARG 17 1.810 5.833 0.438
107 1HB ARG 17 1HB ARG 17 3.975 6.889 -0.154
108 2HB ARG 17 2HB ARG 17 4.383 5.489 -1.167
109 1HG ARG 17 1HG ARG 17 2.484 5.996 -2.611
110 2HG ARG 17 2HG ARG 17 2.078 7.423 -1.652
111 1HD ARG 17 1HD ARG 17 4.172 8.505 -2.330
112 2HD ARG 17 2HD ARG 17 4.785 6.989 -2.997
113 HE ARG 17 HE ARG 17 3.466 7.141 -4.842
114 1HH1 ARG 17 1HH1 ARG 17 2.435 9.747 -2.628
115 2HH1 ARG 17 2HH1 ARG 17 1.325 10.408 -3.776
116 1HH2 ARG 17 1HH2 ARG 17 2.042 8.097 -6.336
117 2HH2 ARG 17 2HH2 ARG 17 1.094 9.460 -5.916
118 H PHE 18 H PHE 18 3.299 2.861 -0.210
119 HA PHE 18 HA PHE 18 1.520 2.053 -2.418
120 1HB PHE 18 1HB PHE 18 3.726 1.141 -2.370
121 2HB PHE 18 2HB PHE 18 3.586 0.628 -0.702
122 HD1 PHE 18 HD1 PHE 18 1.645 0.012 -3.902
123 HD2 PHE 18 HD2 PHE 18 3.546 -1.671 -0.403
124 HE1 PHE 18 HE1 PHE 18 1.051 -2.265 -4.663
125 HE2 PHE 18 HE2 PHE 18 2.945 -3.943 -1.182
126 HZ PHE 18 HZ PHE 18 1.700 -4.245 -3.308
127 H TYR 19 H TYR 19 1.792 1.635 1.088
128 HA TYR 19 HA TYR 19 -0.358 -0.200 1.399
129 1HB TYR 19 1HB TYR 19 1.666 0.706 2.978
130 2HB TYR 19 2HB TYR 19 0.342 1.630 3.658
131 HD1 TYR 19 HD1 TYR 19 -1.888 0.146 4.079
132 HD2 TYR 19 HD2 TYR 19 2.115 -1.426 3.803
133 HE1 TYR 19 HE1 TYR 19 -2.612 -1.900 5.286
134 HE2 TYR 19 HE2 TYR 19 1.416 -3.450 5.013
135 HH TYR 19 HH TYR 19 -0.312 -4.558 6.041
136 H ASN 20 H ASN 20 -0.166 3.336 1.984
137 HA ASN 20 HA ASN 20 -2.830 3.839 2.686
138 1HB ASN 20 1HB ASN 20 -0.668 5.541 1.404
139 2HB ASN 20 2HB ASN 20 -2.248 6.194 1.784
140 1HD2 ASN 20 2HD2 ASN 20 0.597 6.603 2.925
141 2HD2 ASN 20 1HD2 ASN 20 0.288 6.667 4.640
142 H ASP 21 H ASP 21 -1.391 3.702 -0.592
143 HA ASP 21 HA ASP 21 -3.587 4.803 -1.975
144 1HB ASP 21 1HB ASP 21 -1.285 4.483 -2.818
145 2HB ASP 21 2HB ASP 21 -1.574 2.747 -2.945
146 H LEU 22 H LEU 22 -3.195 1.621 -0.653
147 HA LEU 22 HA LEU 22 -5.648 0.756 -2.114
148 1HB LEU 22 1HB LEU 22 -3.584 -0.629 -2.469
149 2HB LEU 22 2HB LEU 22 -3.662 -1.063 -0.761
150 HG LEU 22 HG LEU 22 -5.966 -2.006 -1.143
151 1HD1 LEU 22 1HD1 LEU 22 -6.729 -2.445 -3.424
152 2HD1 LEU 22 2HD1 LEU 22 -5.335 -1.569 -4.099
153 3HD1 LEU 22 3HD1 LEU 22 -6.604 -0.714 -3.206
154 1HD2 LEU 22 1HD2 LEU 22 -3.938 -3.430 -1.233
155 2HD2 LEU 22 2HD2 LEU 22 -3.860 -3.178 -2.989
156 3HD2 LEU 22 3HD2 LEU 22 -5.249 -4.019 -2.273
157 H GLN 23 H GLN 23 -4.408 1.625 0.985
158 HA GLN 23 HA GLN 23 -6.196 0.375 2.699
159 1HB GLN 23 1HB GLN 23 -4.202 1.991 3.216
160 2HB GLN 23 2HB GLN 23 -5.338 3.303 2.943
161 1HG GLN 23 1HG GLN 23 -5.324 3.020 5.271
162 2HG GLN 23 2HG GLN 23 -6.806 2.207 4.777
163 1HE2 GLN 23 2HE2 GLN 23 -3.275 1.545 5.356
164 2HE2 GLN 23 1HE2 GLN 23 -3.568 -0.030 6.089
165 H GLN 24 H GLN 24 -6.623 3.297 0.769
166 HA GLN 24 HA GLN 24 -9.177 4.071 1.698
167 1HB GLN 24 1HB GLN 24 -9.342 5.222 -0.556
168 2HB GLN 24 2HB GLN 24 -7.886 5.544 0.364
169 1HG GLN 24 1HG GLN 24 -6.628 3.894 -1.046
170 2HG GLN 24 2HG GLN 24 -8.070 3.712 -2.047
171 1HE2 GLN 24 2HE2 GLN 24 -7.753 4.794 -3.915
172 2HE2 GLN 24 1HE2 GLN 24 -6.936 6.339 -4.084
173 H TYR 25 H TYR 25 -8.263 1.905 -0.941
174 HA TYR 25 HA TYR 25 -10.949 1.234 -1.756
175 1HB TYR 25 1HB TYR 25 -8.612 0.872 -2.930
176 2HB TYR 25 2HB TYR 25 -8.606 -0.645 -2.047
177 HD1 TYR 25 HD1 TYR 25 -10.685 1.419 -4.410
178 HD2 TYR 25 HD2 TYR 25 -9.668 -2.538 -3.033
179 HE1 TYR 25 HE1 TYR 25 -12.007 0.448 -6.252
180 HE2 TYR 25 HE2 TYR 25 -10.937 -3.516 -4.890
181 HH TYR 25 HH TYR 25 -11.679 -2.518 -7.402
182 H LEU 26 H LEU 26 -9.235 0.353 1.137
183 HA LEU 26 HA LEU 26 -11.101 -1.816 1.560
184 1HB LEU 26 1HB LEU 26 -8.898 -2.760 1.556
185 2HB LEU 26 2HB LEU 26 -8.176 -1.278 2.151
186 HG LEU 26 HG LEU 26 -9.103 -1.740 4.402
187 1HD1 LEU 26 1HD1 LEU 26 -9.330 -4.604 3.344
188 2HD1 LEU 26 2HD1 LEU 26 -10.748 -3.583 3.614
189 3HD1 LEU 26 3HD1 LEU 26 -9.710 -4.019 4.984
190 1HD2 LEU 26 1HD2 LEU 26 -6.757 -2.055 3.893
191 2HD2 LEU 26 2HD2 LEU 26 -7.080 -3.673 3.203
192 3HD2 LEU 26 3HD2 LEU 26 -7.304 -3.370 4.931
193 H ASN 27 H ASN 27 -10.791 1.307 2.326
194 HA ASN 27 HA ASN 27 -12.266 0.984 4.939
195 1HB ASN 27 1HB ASN 27 -10.075 2.151 5.152
196 2HB ASN 27 2HB ASN 27 -10.517 3.240 3.856
197 1HD2 ASN 27 2HD2 ASN 27 -10.852 5.252 4.744
198 2HD2 ASN 27 1HD2 ASN 27 -11.872 5.523 6.168
199 H VAL 28 H VAL 28 -12.096 2.678 1.843
200 HA VAL 28 HA VAL 28 -14.638 4.043 2.285
201 HB VAL 28 HB VAL 28 -12.749 4.097 -0.116
202 1HG1 VAL 28 1HG1 VAL 28 -14.959 4.975 -0.662
203 2HG1 VAL 28 2HG1 VAL 28 -14.911 6.037 0.780
204 3HG1 VAL 28 3HG1 VAL 28 -13.782 6.282 -0.573
205 1HG2 VAL 28 1HG2 VAL 28 -12.872 5.950 2.325
206 2HG2 VAL 28 2HG2 VAL 28 -11.520 4.886 1.882
207 3HG2 VAL 28 3HG2 VAL 28 -11.928 6.245 0.848
208 H VAL 29 H VAL 29 -13.392 1.146 0.374
209 HA VAL 29 HA VAL 29 -16.022 1.105 -1.004
210 HB VAL 29 HB VAL 29 -13.607 -0.698 -1.111
211 1HG1 VAL 29 1HG1 VAL 29 -14.674 -1.605 -3.196
212 2HG1 VAL 29 2HG1 VAL 29 -15.511 -2.047 -1.711
213 3HG1 VAL 29 3HG1 VAL 29 -16.171 -0.748 -2.725
214 1HG2 VAL 29 1HG2 VAL 29 -13.215 1.562 -2.103
215 2HG2 VAL 29 2HG2 VAL 29 -13.198 0.279 -3.311
216 3HG2 VAL 29 3HG2 VAL 29 -14.624 1.314 -3.156
217 H THR 30 H THR 30 -14.319 -0.583 1.595
218 HA THR 30 HA THR 30 -16.277 -2.551 2.059
219 HB THR 30 HB THR 30 -15.272 -2.520 4.309
220 HG1 THR 30 HG1 THR 30 -13.217 -1.115 4.190
221 1HG2 THR 30 1HG2 THR 30 -13.265 -2.572 1.978
222 2HG2 THR 30 2HG2 THR 30 -14.334 -3.913 2.436
223 3HG2 THR 30 3HG2 THR 30 -13.070 -3.394 3.542
224 H ARG 31 H ARG 31 -16.183 0.827 2.769
225 HA ARG 31 HA ARG 31 -18.125 0.978 4.785
226 1HB ARG 31 1HB ARG 31 -16.566 2.828 3.428
227 2HB ARG 31 2HB ARG 31 -18.135 3.157 2.717
228 1HG ARG 31 1HG ARG 31 -17.863 4.634 4.566
229 2HG ARG 31 2HG ARG 31 -19.050 3.420 5.085
230 1HD ARG 31 1HD ARG 31 -17.250 2.204 6.290
231 2HD ARG 31 2HD ARG 31 -16.052 3.368 5.702
232 HE ARG 31 HE ARG 31 -17.967 4.906 6.938
233 1HH1 ARG 31 1HH1 ARG 31 -15.801 2.257 7.910
234 2HH1 ARG 31 2HH1 ARG 31 -15.650 2.805 9.553
235 1HH2 ARG 31 1HH2 ARG 31 -17.738 5.623 9.182
236 2HH2 ARG 31 2HH2 ARG 31 -16.494 4.860 10.136
237 H HIS 32 H HIS 32 -18.524 0.101 1.598
238 HA HIS 32 HA HIS 32 -21.467 0.446 1.526
239 1HB HIS 32 1HB HIS 32 -19.282 0.051 -0.566
240 2HB HIS 32 2HB HIS 32 -20.947 -0.140 -0.918
241 HD1 HIS 32 HD1 HIS 32 -22.261 2.057 -1.487
242 HD2 HIS 32 HD2 HIS 32 -18.509 2.572 0.325
243 HE1 HIS 32 HE1 HIS 32 -21.794 4.559 -1.555
244 H ARG 33 H ARG 33 -20.660 -1.271 3.370
245 HA ARG 33 HA ARG 33 -20.473 -3.405 4.165
246 1HB ARG 33 1HB ARG 33 -22.754 -3.565 2.169
247 2HB ARG 33 2HB ARG 33 -22.445 -4.803 3.389
248 1HG ARG 33 1HG ARG 33 -22.781 -3.319 5.204
249 2HG ARG 33 2HG ARG 33 -22.793 -1.879 4.186
250 1HD ARG 33 1HD ARG 33 -24.914 -4.048 4.182
251 2HD ARG 33 2HD ARG 33 -25.044 -2.482 4.984
252 HE ARG 33 HE ARG 33 -24.985 -3.018 2.066
253 1HH1 ARG 33 1HH1 ARG 33 -25.527 -0.523 4.619
254 2HH1 ARG 33 2HH1 ARG 33 -26.245 0.576 3.517
255 1HH2 ARG 33 1HH2 ARG 33 -25.550 -1.431 0.664
256 2HH2 ARG 33 2HH2 ARG 33 -26.108 0.119 1.126
257 H TYR 34 H TYR 34 -18.587 -2.916 1.892
258 HA TYR 34 HA TYR 34 -18.532 -5.514 0.570
259 1HB TYR 34 1HB TYR 34 -17.821 -3.094 -0.314
260 2HB TYR 34 2HB TYR 34 -16.241 -3.640 0.252
261 HD1 TYR 34 HD1 TYR 34 -15.087 -5.496 -0.867
262 HD2 TYR 34 HD2 TYR 34 -19.038 -4.264 -2.099
263 HE1 TYR 34 HE1 TYR 34 -14.865 -6.852 -2.902
264 HE2 TYR 34 HE2 TYR 34 -18.824 -5.630 -4.152
265 HH TYR 34 HH TYR 34 -15.817 -7.394 -4.970
266 1HN NH2 35 1H NH2 35 -17.285 -4.198 3.556
267 2HN NH2 35 2H NH2 35 -16.191 -5.514 3.876
268 3HM EAB 10 3HM AZT 10 14.790 -0.679 3.213
269 2HM EAB 10 2HM AZT 10 15.542 0.274 4.467
270 HL EAB 10 HL AZT 10 12.239 0.407 5.642
271 HK2 EAB 10 HK2 AZT 10 11.466 -1.001 7.495
272 HJ2 EAB 10 HJ2 AZT 10 12.621 -3.140 8.052
273 HG1 EAB 10 HG1 AZT 10 16.923 -5.795 4.309
274 HG2 EAB 10 HG2 AZT 10 18.690 -8.826 6.801
275 HD2 EAB 10 HD2 AZT 10 17.604 -7.825 8.789
276 HE EAB 10 HE AZT 10 16.115 -5.837 8.542
277 2HA EAB 10 2HA AZT 10 19.410 -8.481 4.443
278 3HA EAB 10 3HA AZT 10 18.600 -7.271 3.413
279 1HN EAB 10 H AZT 10 16.527 -8.801 3.739
280 HJ1 EAB 10 HJ1 AZT 10 15.415 -2.394 4.854
Start of MODEL 2
1 1H GLY 1 H GLY 1 7.900 -4.195 -0.267
2 1HA GLY 1 1HA GLY 1 6.621 -6.551 -1.522
3 2HA GLY 1 2HA GLY 1 8.319 -6.428 -1.012
4 HA PRO 2 HA PRO 2 5.824 -8.419 2.374
5 1HB PRO 2 1HB PRO 2 7.504 -10.515 2.928
6 2HB PRO 2 2HB PRO 2 6.300 -10.549 1.603
7 1HG PRO 2 1HG PRO 2 9.251 -9.879 1.430
8 2HG PRO 2 2HG PRO 2 8.317 -11.004 0.397
9 1HD PRO 2 1HD PRO 2 8.850 -8.440 -0.363
10 2HD PRO 2 2HD PRO 2 7.284 -9.217 -0.761
11 H SER 3 H SER 3 6.095 -8.084 4.532
12 HA SER 3 HA SER 3 8.658 -7.541 5.805
13 1HB SER 3 1HB SER 3 6.429 -5.489 6.068
14 2HB SER 3 2HB SER 3 8.103 -5.370 6.601
15 HG SER 3 HG SER 3 7.910 -4.100 4.907
16 H GLN 4 H GLN 4 8.113 -7.174 8.259
17 HA GLN 4 HA GLN 4 5.513 -8.046 9.163
18 1HB GLN 4 1HB GLN 4 6.551 -10.211 8.545
19 2HB GLN 4 2HB GLN 4 7.936 -9.865 9.557
20 1HG GLN 4 1HG GLN 4 6.339 -11.469 10.554
21 2HG GLN 4 2HG GLN 4 6.573 -10.054 11.571
22 1HE2 GLN 4 2HE2 GLN 4 4.538 -10.471 12.660
23 2HE2 GLN 4 1HE2 GLN 4 3.024 -10.118 11.850
24 HA PRO 5 HA PRO 5 8.244 -5.174 11.642
25 1HB PRO 5 1HB PRO 5 6.575 -2.977 11.768
26 2HB PRO 5 2HB PRO 5 7.763 -3.258 10.468
27 1HG PRO 5 1HG PRO 5 4.804 -3.807 10.430
28 2HG PRO 5 2HG PRO 5 5.816 -3.102 9.142
29 1HD PRO 5 1HD PRO 5 5.045 -5.748 9.202
30 2HD PRO 5 2HD PRO 5 6.585 -5.192 8.487
31 H THR 6 H THR 6 8.147 -5.230 13.835
32 HA THR 6 HA THR 6 5.534 -5.540 15.193
33 HB THR 6 HB THR 6 6.757 -7.224 16.634
34 HG1 THR 6 HG1 THR 6 8.472 -8.289 15.666
35 1HG2 THR 6 1HG2 THR 6 6.236 -9.052 15.190
36 2HG2 THR 6 2HG2 THR 6 6.429 -8.065 13.729
37 3HG2 THR 6 3HG2 THR 6 5.083 -7.762 14.851
38 H TYR 7 H TYR 7 8.460 -3.784 15.028
39 HA TYR 7 HA TYR 7 7.911 -2.634 17.725
40 1HB TYR 7 1HB TYR 7 10.631 -3.211 16.528
41 2HB TYR 7 2HB TYR 7 10.324 -2.299 18.005
42 HD1 TYR 7 HD1 TYR 7 9.267 -3.441 19.994
43 HD2 TYR 7 HD2 TYR 7 10.535 -5.593 16.483
44 HE1 TYR 7 HE1 TYR 7 9.041 -5.577 21.224
45 HE2 TYR 7 HE2 TYR 7 10.335 -7.705 17.668
46 HH TYR 7 HH TYR 7 9.651 -8.758 19.643
47 HA PRO 8 HA PRO 8 7.855 0.710 14.515
48 1HB PRO 8 1HB PRO 8 5.831 2.202 15.609
49 2HB PRO 8 2HB PRO 8 5.541 0.803 14.535
50 1HG PRO 8 1HG PRO 8 5.388 0.908 17.550
51 2HG PRO 8 2HG PRO 8 4.295 0.081 16.406
52 1HD PRO 8 1HD PRO 8 6.332 -1.159 17.815
53 2HD PRO 8 2HD PRO 8 5.735 -1.743 16.233
54 H GLY 9 H GLY 9 9.789 1.745 15.039
55 1HA GLY 9 1HA GLY 9 10.316 3.861 16.412
56 2HA GLY 9 2HA GLY 9 10.287 2.738 17.788
57 HA PRO 11 HA PRO 11 12.126 6.485 2.678
58 1HB PRO 11 1HB PRO 11 11.657 4.370 1.010
59 2HB PRO 11 2HB PRO 11 13.298 4.749 1.594
60 1HG PRO 11 1HG PRO 11 11.337 2.726 2.761
61 2HG PRO 11 2HG PRO 11 13.052 2.459 2.301
62 1HD PRO 11 1HD PRO 11 12.404 3.006 4.859
63 2HD PRO 11 2HD PRO 11 13.848 3.721 4.111
64 H VAL 12 H VAL 12 10.370 6.381 4.782
65 HA VAL 12 HA VAL 12 7.977 4.977 4.740
66 HB VAL 12 HB VAL 12 8.650 7.680 5.961
67 1HG1 VAL 12 1HG1 VAL 12 6.954 7.229 7.605
68 2HG1 VAL 12 2HG1 VAL 12 6.187 7.084 6.029
69 3HG1 VAL 12 3HG1 VAL 12 6.631 5.624 6.941
70 1HG2 VAL 12 1HG2 VAL 12 9.079 6.307 8.046
71 2HG2 VAL 12 2HG2 VAL 12 9.001 4.842 7.044
72 3HG2 VAL 12 3HG2 VAL 12 10.265 6.059 6.793
73 H GLU 13 H GLU 13 8.808 8.068 3.052
74 HA GLU 13 HA GLU 13 5.994 8.500 2.508
75 1HB GLU 13 1HB GLU 13 8.534 9.861 1.491
76 2HB GLU 13 2HB GLU 13 6.905 10.394 1.069
77 1HG GLU 13 1HG GLU 13 6.348 10.835 3.384
78 2HG GLU 13 2HG GLU 13 7.835 10.092 3.969
79 H ASP 14 H ASP 14 7.728 6.146 1.445
80 HA ASP 14 HA ASP 14 6.392 5.929 -1.213
81 1HB ASP 14 1HB ASP 14 9.167 5.056 -0.310
82 2HB ASP 14 2HB ASP 14 8.275 4.230 -1.587
83 H LEU 15 H LEU 15 7.828 4.126 1.572
84 HA LEU 15 HA LEU 15 6.376 1.811 1.311
85 1HB LEU 15 1HB LEU 15 8.299 2.201 2.885
86 2HB LEU 15 2HB LEU 15 7.227 3.174 3.891
87 HG LEU 15 HG LEU 15 5.735 1.122 4.150
88 1HD1 LEU 15 1HD1 LEU 15 8.195 -0.305 3.031
89 2HD1 LEU 15 2HD1 LEU 15 6.602 -0.197 2.227
90 3HD1 LEU 15 3HD1 LEU 15 6.771 -1.077 3.740
91 1HD2 LEU 15 1HD2 LEU 15 8.560 0.927 5.228
92 2HD2 LEU 15 2HD2 LEU 15 7.113 0.145 5.895
93 3HD2 LEU 15 3HD2 LEU 15 7.248 1.910 5.916
94 H ILE 16 H ILE 16 5.284 4.757 3.276
95 HA ILE 16 HA ILE 16 2.858 3.217 3.902
96 HB ILE 16 HB ILE 16 2.038 4.959 5.131
97 1HG1 ILE 16 1HG1 ILE 16 3.995 6.893 3.868
98 2HG1 ILE 16 2HG1 ILE 16 2.250 6.871 3.745
99 1HG2 ILE 16 1HG2 ILE 16 3.797 5.239 6.802
100 2HG2 ILE 16 2HG2 ILE 16 3.917 3.639 6.062
101 3HG2 ILE 16 3HG2 ILE 16 5.039 4.915 5.570
102 1HD1 ILE 16 1HD1 ILE 16 3.850 7.475 6.256
103 2HD1 ILE 16 2HD1 ILE 16 2.866 8.592 5.302
104 3HD1 ILE 16 3HD1 ILE 16 2.089 7.275 6.203
105 H ARG 17 H ARG 17 3.904 5.454 1.392
106 HA ARG 17 HA ARG 17 1.246 6.071 0.518
107 1HB ARG 17 1HB ARG 17 3.418 7.304 0.005
108 2HB ARG 17 2HB ARG 17 3.818 5.995 -1.117
109 1HG ARG 17 1HG ARG 17 1.732 6.544 -2.416
110 2HG ARG 17 2HG ARG 17 1.460 7.922 -1.332
111 1HD ARG 17 1HD ARG 17 3.961 7.448 -3.011
112 2HD ARG 17 2HD ARG 17 2.634 8.510 -3.463
113 HE ARG 17 HE ARG 17 4.241 8.929 -0.960
114 1HH1 ARG 17 1HH1 ARG 17 3.494 10.097 -4.225
115 2HH1 ARG 17 2HH1 ARG 17 3.842 11.759 -3.829
116 1HH2 ARG 17 1HH2 ARG 17 4.766 11.265 -0.509
117 2HH2 ARG 17 2HH2 ARG 17 4.676 12.342 -1.841
118 H PHE 18 H PHE 18 3.380 3.515 -0.123
119 HA PHE 18 HA PHE 18 1.933 2.185 -2.177
120 1HB PHE 18 1HB PHE 18 4.244 1.581 -1.612
121 2HB PHE 18 2HB PHE 18 3.767 1.056 -0.009
122 HD1 PHE 18 HD1 PHE 18 4.016 0.098 -3.515
123 HD2 PHE 18 HD2 PHE 18 2.377 -1.016 0.317
124 HE1 PHE 18 HE1 PHE 18 3.508 -2.165 -4.388
125 HE2 PHE 18 HE2 PHE 18 1.867 -3.266 -0.554
126 HZ PHE 18 HZ PHE 18 2.390 -3.847 -2.919
127 H TYR 19 H TYR 19 1.780 1.922 1.368
128 HA TYR 19 HA TYR 19 -0.279 -0.100 1.359
129 1HB TYR 19 1HB TYR 19 1.431 0.650 3.244
130 2HB TYR 19 2HB TYR 19 0.164 1.775 3.697
131 HD1 TYR 19 HD1 TYR 19 -1.861 0.955 4.831
132 HD2 TYR 19 HD2 TYR 19 0.991 -1.803 3.157
133 HE1 TYR 19 HE1 TYR 19 -3.089 -0.935 5.862
134 HE2 TYR 19 HE2 TYR 19 -0.230 -3.708 4.185
135 HH TYR 19 HH TYR 19 -2.082 -4.349 5.428
136 H ASN 20 H ASN 20 -0.304 3.458 1.686
137 HA ASN 20 HA ASN 20 -3.069 3.756 2.223
138 1HB ASN 20 1HB ASN 20 -1.049 5.581 0.894
139 2HB ASN 20 2HB ASN 20 -2.682 6.072 1.352
140 1HD2 ASN 20 2HD2 ASN 20 -0.327 7.292 2.355
141 2HD2 ASN 20 1HD2 ASN 20 -0.347 7.074 4.103
142 H ASP 21 H ASP 21 -1.343 3.363 -0.868
143 HA ASP 21 HA ASP 21 -3.400 4.246 -2.607
144 1HB ASP 21 1HB ASP 21 -1.199 2.185 -3.004
145 2HB ASP 21 2HB ASP 21 -2.275 2.717 -4.279
146 H LEU 22 H LEU 22 -3.050 1.259 -0.795
147 HA LEU 22 HA LEU 22 -5.468 0.136 -2.135
148 1HB LEU 22 1HB LEU 22 -4.742 -2.061 -1.550
149 2HB LEU 22 2HB LEU 22 -3.486 -1.198 -2.414
150 HG LEU 22 HG LEU 22 -2.560 -0.708 0.032
151 1HD1 LEU 22 1HD1 LEU 22 -4.045 -3.345 0.451
152 2HD1 LEU 22 2HD1 LEU 22 -4.409 -1.838 1.296
153 3HD1 LEU 22 3HD1 LEU 22 -2.862 -2.608 1.570
154 1HD2 LEU 22 1HD2 LEU 22 -1.343 -1.859 -1.691
155 2HD2 LEU 22 2HD2 LEU 22 -2.232 -3.365 -1.349
156 3HD2 LEU 22 3HD2 LEU 22 -1.123 -2.657 -0.135
157 H GLN 23 H GLN 23 -4.152 0.977 1.076
158 HA GLN 23 HA GLN 23 -6.201 -0.186 2.618
159 1HB GLN 23 1HB GLN 23 -3.974 0.815 3.362
160 2HB GLN 23 2HB GLN 23 -4.727 2.403 3.212
161 1HG GLN 23 1HG GLN 23 -6.505 1.420 4.905
162 2HG GLN 23 2HG GLN 23 -5.306 0.130 5.153
163 1HE2 GLN 23 2HE2 GLN 23 -5.660 3.739 5.139
164 2HE2 GLN 23 1HE2 GLN 23 -4.412 4.040 6.325
165 H GLN 24 H GLN 24 -6.174 2.818 0.718
166 HA GLN 24 HA GLN 24 -8.399 4.065 1.974
167 1HB GLN 24 1HB GLN 24 -8.451 5.539 0.115
168 2HB GLN 24 2HB GLN 24 -6.784 5.173 0.534
169 1HG GLN 24 1HG GLN 24 -6.801 5.233 -1.799
170 2HG GLN 24 2HG GLN 24 -6.745 3.524 -1.401
171 1HE2 GLN 24 2HE2 GLN 24 -7.606 3.023 -3.531
172 2HE2 GLN 24 1HE2 GLN 24 -9.284 3.333 -3.898
173 H TYR 25 H TYR 25 -8.177 1.750 -0.623
174 HA TYR 25 HA TYR 25 -10.854 1.619 -1.527
175 1HB TYR 25 1HB TYR 25 -8.787 0.470 -2.509
176 2HB TYR 25 2HB TYR 25 -8.992 -0.769 -1.278
177 HD1 TYR 25 HD1 TYR 25 -10.310 0.662 -4.398
178 HD2 TYR 25 HD2 TYR 25 -10.984 -2.310 -1.327
179 HE1 TYR 25 HE1 TYR 25 -11.949 -0.477 -5.852
180 HE2 TYR 25 HE2 TYR 25 -12.668 -3.406 -2.772
181 HH TYR 25 HH TYR 25 -13.922 -1.969 -5.624
182 H LEU 26 H LEU 26 -9.440 -0.725 0.964
183 HA LEU 26 HA LEU 26 -11.889 -1.684 1.618
184 1HB LEU 26 1HB LEU 26 -10.596 -2.939 2.964
185 2HB LEU 26 2HB LEU 26 -9.282 -2.168 2.194
186 HG LEU 26 HG LEU 26 -9.360 -0.446 4.182
187 1HD1 LEU 26 1HD1 LEU 26 -10.772 -2.833 5.460
188 2HD1 LEU 26 2HD1 LEU 26 -11.449 -1.208 5.307
189 3HD1 LEU 26 3HD1 LEU 26 -10.042 -1.475 6.333
190 1HD2 LEU 26 1HD2 LEU 26 -7.852 -1.917 5.454
191 2HD2 LEU 26 2HD2 LEU 26 -7.532 -1.970 3.719
192 3HD2 LEU 26 3HD2 LEU 26 -8.403 -3.309 4.492
193 H ASN 27 H ASN 27 -10.333 1.175 2.917
194 HA ASN 27 HA ASN 27 -12.133 1.703 5.050
195 1HB ASN 27 1HB ASN 27 -9.810 2.536 4.640
196 2HB ASN 27 2HB ASN 27 -10.443 3.660 3.445
197 1HD2 ASN 27 2HD2 ASN 27 -10.409 5.715 4.363
198 2HD2 ASN 27 1HD2 ASN 27 -10.916 6.051 5.999
199 H VAL 28 H VAL 28 -12.472 2.351 1.689
200 HA VAL 28 HA VAL 28 -14.917 3.990 2.296
201 HB VAL 28 HB VAL 28 -12.977 4.409 -0.019
202 1HG1 VAL 28 1HG1 VAL 28 -15.258 5.116 -0.649
203 2HG1 VAL 28 2HG1 VAL 28 -15.378 6.097 0.832
204 3HG1 VAL 28 3HG1 VAL 28 -14.207 6.506 -0.444
205 1HG2 VAL 28 1HG2 VAL 28 -13.392 6.055 2.522
206 2HG2 VAL 28 2HG2 VAL 28 -11.917 5.180 2.043
207 3HG2 VAL 28 3HG2 VAL 28 -12.440 6.582 1.117
208 H VAL 29 H VAL 29 -13.657 1.468 0.129
209 HA VAL 29 HA VAL 29 -16.135 1.434 -1.345
210 HB VAL 29 HB VAL 29 -13.635 -0.250 -1.413
211 1HG1 VAL 29 1HG1 VAL 29 -14.807 -1.301 -3.451
212 2HG1 VAL 29 2HG1 VAL 29 -15.376 -1.857 -1.881
213 3HG1 VAL 29 3HG1 VAL 29 -16.320 -0.664 -2.802
214 1HG2 VAL 29 1HG2 VAL 29 -13.510 0.734 -3.659
215 2HG2 VAL 29 2HG2 VAL 29 -15.017 1.621 -3.385
216 3HG2 VAL 29 3HG2 VAL 29 -13.566 1.995 -2.425
217 H THR 30 H THR 30 -14.675 -1.086 0.667
218 HA THR 30 HA THR 30 -17.191 -2.339 1.064
219 HB THR 30 HB THR 30 -15.826 -3.519 2.872
220 HG1 THR 30 HG1 THR 30 -14.062 -1.947 2.922
221 1HG2 THR 30 1HG2 THR 30 -16.345 -4.487 0.662
222 2HG2 THR 30 2HG2 THR 30 -14.710 -4.927 1.175
223 3HG2 THR 30 3HG2 THR 30 -14.939 -3.654 -0.040
224 H ARG 31 H ARG 31 -15.604 0.257 2.857
225 HA ARG 31 HA ARG 31 -17.188 -0.138 5.208
226 1HB ARG 31 1HB ARG 31 -15.069 1.193 5.101
227 2HB ARG 31 2HB ARG 31 -15.948 2.445 4.201
228 1HG ARG 31 1HG ARG 31 -17.196 1.615 6.778
229 2HG ARG 31 2HG ARG 31 -15.613 2.333 6.950
230 1HD ARG 31 1HD ARG 31 -16.291 4.425 6.086
231 2HD ARG 31 2HD ARG 31 -17.676 3.733 5.234
232 HE ARG 31 HE ARG 31 -18.980 4.041 7.018
233 1HH1 ARG 31 1HH1 ARG 31 -15.631 4.135 8.260
234 2HH1 ARG 31 2HH1 ARG 31 -16.113 4.369 9.904
235 1HH2 ARG 31 1HH2 ARG 31 -19.602 4.192 9.237
236 2HH2 ARG 31 2HH2 ARG 31 -18.405 4.266 10.475
237 H HIS 32 H HIS 32 -17.948 1.128 2.220
238 HA HIS 32 HA HIS 32 -20.490 2.328 3.124
239 1HB HIS 32 1HB HIS 32 -18.801 2.491 0.648
240 2HB HIS 32 2HB HIS 32 -20.523 2.772 0.526
241 HD1 HIS 32 HD1 HIS 32 -21.601 4.770 1.973
242 HD2 HIS 32 HD2 HIS 32 -17.396 4.444 2.083
243 HE1 HIS 32 HE1 HIS 32 -20.719 6.896 3.045
244 H ARG 33 H ARG 33 -20.330 -0.169 3.743
245 HA ARG 33 HA ARG 33 -21.031 -2.350 3.516
246 1HB ARG 33 1HB ARG 33 -23.489 -0.738 2.788
247 2HB ARG 33 2HB ARG 33 -23.468 -2.360 3.496
248 1HG ARG 33 1HG ARG 33 -22.440 -1.524 5.564
249 2HG ARG 33 2HG ARG 33 -22.249 0.084 4.881
250 1HD ARG 33 1HD ARG 33 -24.150 0.134 6.324
251 2HD ARG 33 2HD ARG 33 -24.649 0.340 4.634
252 HE ARG 33 HE ARG 33 -24.735 -2.398 5.635
253 1HH1 ARG 33 1HH1 ARG 33 -26.582 0.622 5.217
254 2HH1 ARG 33 2HH1 ARG 33 -28.119 -0.163 5.020
255 1HH2 ARG 33 1HH2 ARG 33 -26.784 -3.428 5.566
256 2HH2 ARG 33 2HH2 ARG 33 -28.242 -2.518 5.324
257 H TYR 34 H TYR 34 -19.477 -2.243 1.461
258 HA TYR 34 HA TYR 34 -21.019 -3.297 -0.864
259 1HB TYR 34 1HB TYR 34 -19.652 -1.127 -1.081
260 2HB TYR 34 2HB TYR 34 -18.225 -2.131 -0.869
261 HD1 TYR 34 HD1 TYR 34 -17.254 -3.265 -2.722
262 HD2 TYR 34 HD2 TYR 34 -21.200 -1.543 -3.063
263 HE1 TYR 34 HE1 TYR 34 -17.177 -3.557 -5.160
264 HE2 TYR 34 HE2 TYR 34 -21.164 -1.927 -5.504
265 HH TYR 34 HH TYR 34 -19.788 -2.541 -7.361
266 1HN NH2 35 1H NH2 35 -19.457 -5.038 -2.089
267 2HN NH2 35 2H NH2 35 -18.805 -6.207 -0.965
268 3HM EAB 10 3HM AZT 10 14.230 4.800 5.894
269 2HM EAB 10 2HM AZT 10 14.042 6.415 6.539
270 HL EAB 10 HL AZT 10 11.494 3.596 6.675
271 HK2 EAB 10 HK2 AZT 10 10.722 2.668 8.793
272 HJ2 EAB 10 HJ2 AZT 10 11.736 3.408 10.945
273 HG1 EAB 10 HG1 AZT 10 13.175 3.343 14.251
274 HG2 EAB 10 HG2 AZT 10 16.486 4.760 16.628
275 HD2 EAB 10 HD2 AZT 10 17.208 6.183 14.726
276 HE EAB 10 HE AZT 10 15.919 6.182 12.594
277 2HA EAB 10 2HA AZT 10 14.852 3.325 17.627
278 3HA EAB 10 3HA AZT 10 14.546 2.000 16.468
279 1HN EAB 10 H AZT 10 12.622 4.093 17.390
280 HJ1 EAB 10 HJ1 AZT 10 14.295 6.127 8.806
Start of MODEL 3
1 1H GLY 1 H GLY 1 25.058 -19.431 7.503
2 1HA GLY 1 1HA GLY 1 23.786 -20.913 9.052
3 2HA GLY 1 2HA GLY 1 22.395 -19.846 8.735
4 HA PRO 2 HA PRO 2 23.493 -22.729 4.973
5 1HB PRO 2 1HB PRO 2 23.174 -25.345 5.599
6 2HB PRO 2 2HB PRO 2 24.676 -24.450 5.925
7 1HG PRO 2 1HG PRO 2 22.390 -24.967 7.852
8 2HG PRO 2 2HG PRO 2 24.131 -25.301 8.103
9 1HD PRO 2 1HD PRO 2 22.953 -23.005 8.997
10 2HD PRO 2 2HD PRO 2 24.626 -23.005 8.359
11 H SER 3 H SER 3 21.442 -21.283 4.979
12 HA SER 3 HA SER 3 19.089 -22.985 4.331
13 1HB SER 3 1HB SER 3 18.901 -21.777 6.551
14 2HB SER 3 2HB SER 3 19.072 -20.242 5.675
15 HG SER 3 HG SER 3 16.922 -20.508 5.719
16 H GLN 4 H GLN 4 17.535 -21.082 3.291
17 HA GLN 4 HA GLN 4 18.877 -19.457 1.298
18 1HB GLN 4 1HB GLN 4 17.674 -20.502 -0.630
19 2HB GLN 4 2HB GLN 4 19.046 -21.402 -0.004
20 1HG GLN 4 1HG GLN 4 17.678 -23.068 1.005
21 2HG GLN 4 2HG GLN 4 16.216 -22.097 0.842
22 1HE2 GLN 4 2HE2 GLN 4 15.271 -23.971 -0.180
23 2HE2 GLN 4 1HE2 GLN 4 15.571 -24.293 -1.898
24 HA PRO 5 HA PRO 5 14.721 -18.101 3.082
25 1HB PRO 5 1HB PRO 5 15.546 -15.538 3.767
26 2HB PRO 5 2HB PRO 5 15.604 -16.930 4.869
27 1HG PRO 5 1HG PRO 5 17.824 -15.772 3.168
28 2HG PRO 5 2HG PRO 5 17.892 -16.296 4.880
29 1HD PRO 5 1HD PRO 5 18.800 -17.851 2.839
30 2HD PRO 5 2HD PRO 5 17.972 -18.571 4.250
31 H THR 6 H THR 6 13.392 -17.550 1.263
32 HA THR 6 HA THR 6 14.616 -16.264 -1.000
33 HB THR 6 HB THR 6 11.625 -16.255 -0.635
34 HG1 THR 6 HG1 THR 6 11.477 -18.363 -1.181
35 1HG2 THR 6 1HG2 THR 6 11.659 -16.664 -2.979
36 2HG2 THR 6 2HG2 THR 6 13.355 -17.226 -2.949
37 3HG2 THR 6 3HG2 THR 6 12.976 -15.516 -2.710
38 H TYR 7 H TYR 7 15.145 -14.107 -0.939
39 HA TYR 7 HA TYR 7 15.160 -11.891 -0.469
40 1HB TYR 7 1HB TYR 7 12.212 -11.875 0.175
41 2HB TYR 7 2HB TYR 7 13.205 -10.657 -0.588
42 HD1 TYR 7 HD1 TYR 7 14.058 -11.147 -2.982
43 HD2 TYR 7 HD2 TYR 7 10.929 -13.416 -1.074
44 HE1 TYR 7 HE1 TYR 7 13.426 -12.103 -5.180
45 HE2 TYR 7 HE2 TYR 7 10.285 -14.371 -3.264
46 HH TYR 7 HH TYR 7 11.734 -13.357 -6.303
47 HA PRO 8 HA PRO 8 15.286 -13.116 4.045
48 1HB PRO 8 1HB PRO 8 17.793 -12.067 4.600
49 2HB PRO 8 2HB PRO 8 17.476 -13.730 4.045
50 1HG PRO 8 1HG PRO 8 18.327 -11.333 2.421
51 2HG PRO 8 2HG PRO 8 18.904 -13.031 2.314
52 1HD PRO 8 1HD PRO 8 17.070 -11.957 0.590
53 2HD PRO 8 2HD PRO 8 17.029 -13.679 1.066
54 H GLY 9 H GLY 9 15.229 -11.804 5.923
55 1HA GLY 9 1HA GLY 9 14.926 -8.872 5.456
56 2HA GLY 9 2HA GLY 9 13.778 -9.844 6.399
57 HA PRO 11 HA PRO 11 12.919 3.140 2.233
58 1HB PRO 11 1HB PRO 11 10.920 1.593 1.174
59 2HB PRO 11 2HB PRO 11 12.642 1.341 0.774
60 1HG PRO 11 1HG PRO 11 10.943 -0.179 2.762
61 2HG PRO 11 2HG PRO 11 12.125 -0.827 1.587
62 1HD PRO 11 1HD PRO 11 12.713 -0.423 4.245
63 2HD PRO 11 2HD PRO 11 13.936 -0.246 2.953
64 H VAL 12 H VAL 12 11.251 4.767 2.718
65 HA VAL 12 HA VAL 12 9.155 3.867 4.589
66 HB VAL 12 HB VAL 12 9.736 6.546 5.129
67 1HG1 VAL 12 1HG1 VAL 12 8.964 4.765 6.713
68 2HG1 VAL 12 2HG1 VAL 12 10.608 4.066 6.685
69 3HG1 VAL 12 3HG1 VAL 12 10.334 5.696 7.351
70 1HG2 VAL 12 1HG2 VAL 12 12.016 6.673 5.908
71 2HG2 VAL 12 2HG2 VAL 12 12.368 5.057 5.297
72 3HG2 VAL 12 3HG2 VAL 12 12.014 6.391 4.165
73 H GLU 13 H GLU 13 10.000 6.731 2.548
74 HA GLU 13 HA GLU 13 7.410 7.533 2.217
75 1HB GLU 13 1HB GLU 13 9.763 7.708 0.276
76 2HB GLU 13 2HB GLU 13 8.249 8.582 0.061
77 1HG GLU 13 1HG GLU 13 9.889 10.045 1.012
78 2HG GLU 13 2HG GLU 13 8.600 9.769 2.189
79 H ASP 14 H ASP 14 9.104 5.305 -0.058
80 HA ASP 14 HA ASP 14 6.705 5.001 -1.667
81 1HB ASP 14 1HB ASP 14 8.962 4.638 -2.602
82 2HB ASP 14 2HB ASP 14 9.195 3.249 -1.525
83 H LEU 15 H LEU 15 8.135 3.197 1.048
84 HA LEU 15 HA LEU 15 6.508 0.922 0.856
85 1HB LEU 15 1HB LEU 15 8.636 1.145 2.190
86 2HB LEU 15 2HB LEU 15 7.761 2.130 3.363
87 HG LEU 15 HG LEU 15 6.207 0.218 3.776
88 1HD1 LEU 15 1HD1 LEU 15 8.061 -1.215 1.819
89 2HD1 LEU 15 2HD1 LEU 15 6.299 -1.042 1.722
90 3HD1 LEU 15 3HD1 LEU 15 6.985 -2.065 2.960
91 1HD2 LEU 15 1HD2 LEU 15 8.153 0.577 5.226
92 2HD2 LEU 15 2HD2 LEU 15 9.153 -0.436 4.177
93 3HD2 LEU 15 3HD2 LEU 15 7.789 -1.147 5.066
94 H ILE 16 H ILE 16 6.012 3.967 2.761
95 HA ILE 16 HA ILE 16 3.511 2.957 3.878
96 HB ILE 16 HB ILE 16 3.142 5.158 4.739
97 1HG1 ILE 16 1HG1 ILE 16 5.381 6.115 2.941
98 2HG1 ILE 16 2HG1 ILE 16 3.685 6.593 2.917
99 1HG2 ILE 16 1HG2 ILE 16 4.728 3.681 5.907
100 2HG2 ILE 16 2HG2 ILE 16 6.086 4.455 5.074
101 3HG2 ILE 16 3HG2 ILE 16 5.082 5.389 6.181
102 1HD1 ILE 16 1HD1 ILE 16 4.865 8.390 3.864
103 2HD1 ILE 16 2HD1 ILE 16 4.038 7.595 5.215
104 3HD1 ILE 16 3HD1 ILE 16 5.770 7.330 4.942
105 H ARG 17 H ARG 17 4.468 4.962 1.017
106 HA ARG 17 HA ARG 17 1.764 5.543 0.372
107 1HB ARG 17 1HB ARG 17 3.662 6.832 -0.513
108 2HB ARG 17 2HB ARG 17 4.152 5.444 -1.500
109 1HG ARG 17 1HG ARG 17 2.016 5.568 -2.744
110 2HG ARG 17 2HG ARG 17 1.431 6.830 -1.669
111 1HD ARG 17 1HD ARG 17 2.158 7.842 -3.752
112 2HD ARG 17 2HD ARG 17 3.191 8.366 -2.428
113 HE ARG 17 HE ARG 17 4.992 7.474 -3.469
114 1HH1 ARG 17 1HH1 ARG 17 2.139 5.835 -4.830
115 2HH1 ARG 17 2HH1 ARG 17 3.067 4.666 -5.704
116 1HH2 ARG 17 1HH2 ARG 17 6.181 6.242 -5.010
117 2HH2 ARG 17 2HH2 ARG 17 5.414 4.934 -5.840
118 H PHE 18 H PHE 18 3.689 2.807 -0.186
119 HA PHE 18 HA PHE 18 1.797 1.534 -1.919
120 1HB PHE 18 1HB PHE 18 4.300 1.086 -1.952
121 2HB PHE 18 2HB PHE 18 4.118 0.168 -0.476
122 HD1 PHE 18 HD1 PHE 18 2.700 0.434 -3.944
123 HD2 PHE 18 HD2 PHE 18 3.841 -2.221 -0.748
124 HE1 PHE 18 HE1 PHE 18 2.219 -1.527 -5.393
125 HE2 PHE 18 HE2 PHE 18 3.345 -4.166 -2.182
126 HZ PHE 18 HZ PHE 18 2.586 -3.831 -4.533
127 H TYR 19 H TYR 19 1.046 2.285 0.940
128 HA TYR 19 HA TYR 19 -0.532 -0.139 1.423
129 1HB TYR 19 1HB TYR 19 1.479 0.011 3.041
130 2HB TYR 19 2HB TYR 19 0.671 1.399 3.758
131 HD1 TYR 19 HD1 TYR 19 -1.462 1.195 4.932
132 HD2 TYR 19 HD2 TYR 19 0.291 -2.269 3.040
133 HE1 TYR 19 HE1 TYR 19 -3.328 -0.183 5.732
134 HE2 TYR 19 HE2 TYR 19 -1.567 -3.663 3.864
135 HH TYR 19 HH TYR 19 -4.375 -2.231 5.632
136 H ASN 20 H ASN 20 0.111 3.281 2.208
137 HA ASN 20 HA ASN 20 -2.409 4.039 3.064
138 1HB ASN 20 1HB ASN 20 -0.289 5.631 1.551
139 2HB ASN 20 2HB ASN 20 -1.712 6.319 2.312
140 1HD2 ASN 20 2HD2 ASN 20 0.703 7.313 2.993
141 2HD2 ASN 20 1HD2 ASN 20 1.045 6.936 4.655
142 H ASP 21 H ASP 21 -1.156 3.912 -0.425
143 HA ASP 21 HA ASP 21 -3.619 5.230 -1.312
144 1HB ASP 21 1HB ASP 21 -1.493 5.488 -2.513
145 2HB ASP 21 2HB ASP 21 -1.513 3.775 -2.947
146 H LEU 22 H LEU 22 -2.380 1.891 -1.403
147 HA LEU 22 HA LEU 22 -4.676 0.708 -2.539
148 1HB LEU 22 1HB LEU 22 -2.323 -0.333 -0.944
149 2HB LEU 22 2HB LEU 22 -3.578 -1.424 -1.507
150 HG LEU 22 HG LEU 22 -2.097 0.398 -3.426
151 1HD1 LEU 22 1HD1 LEU 22 -1.471 -2.464 -2.601
152 2HD1 LEU 22 2HD1 LEU 22 -0.453 -1.035 -2.337
153 3HD1 LEU 22 3HD1 LEU 22 -0.733 -1.600 -3.987
154 1HD2 LEU 22 1HD2 LEU 22 -2.852 -1.329 -5.073
155 2HD2 LEU 22 2HD2 LEU 22 -4.169 -0.393 -4.364
156 3HD2 LEU 22 3HD2 LEU 22 -3.857 -2.048 -3.790
157 H GLN 23 H GLN 23 -4.563 2.133 0.442
158 HA GLN 23 HA GLN 23 -6.423 0.200 1.689
159 1HB GLN 23 1HB GLN 23 -4.604 0.795 3.121
160 2HB GLN 23 2HB GLN 23 -4.743 2.501 2.692
161 1HG GLN 23 1HG GLN 23 -6.918 2.603 3.976
162 2HG GLN 23 2HG GLN 23 -6.608 0.941 4.504
163 1HE2 GLN 23 2HE2 GLN 23 -5.378 0.759 6.407
164 2HE2 GLN 23 1HE2 GLN 23 -4.420 2.057 7.102
165 H GLN 24 H GLN 24 -6.511 3.309 0.004
166 HA GLN 24 HA GLN 24 -8.819 4.265 1.346
167 1HB GLN 24 1HB GLN 24 -9.108 5.836 -0.373
168 2HB GLN 24 2HB GLN 24 -7.374 5.591 -0.168
169 1HG GLN 24 1HG GLN 24 -7.404 4.121 -2.204
170 2HG GLN 24 2HG GLN 24 -9.112 4.511 -2.423
171 1HE2 GLN 24 2HE2 GLN 24 -9.379 6.047 -3.921
172 2HE2 GLN 24 1HE2 GLN 24 -8.304 7.417 -4.223
173 H TYR 25 H TYR 25 -8.646 2.228 -1.604
174 HA TYR 25 HA TYR 25 -11.558 1.906 -1.622
175 1HB TYR 25 1HB TYR 25 -10.169 1.976 -3.669
176 2HB TYR 25 2HB TYR 25 -9.503 0.409 -3.251
177 HD1 TYR 25 HD1 TYR 25 -12.994 1.916 -3.353
178 HD2 TYR 25 HD2 TYR 25 -10.384 -1.291 -4.600
179 HE1 TYR 25 HE1 TYR 25 -14.916 0.749 -4.358
180 HE2 TYR 25 HE2 TYR 25 -12.300 -2.429 -5.669
181 HH TYR 25 HH TYR 25 -15.654 -1.154 -5.500
182 H LEU 26 H LEU 26 -9.602 0.782 0.735
183 HA LEU 26 HA LEU 26 -11.039 -1.763 0.964
184 1HB LEU 26 1HB LEU 26 -8.710 -2.273 0.846
185 2HB LEU 26 2HB LEU 26 -8.262 -0.787 1.620
186 HG LEU 26 HG LEU 26 -9.113 -1.588 3.767
187 1HD1 LEU 26 1HD1 LEU 26 -9.473 -3.995 4.142
188 2HD1 LEU 26 2HD1 LEU 26 -9.155 -4.336 2.430
189 3HD1 LEU 26 3HD1 LEU 26 -10.615 -3.453 2.910
190 1HD2 LEU 26 1HD2 LEU 26 -6.722 -1.641 3.244
191 2HD2 LEU 26 2HD2 LEU 26 -6.908 -3.234 2.477
192 3HD2 LEU 26 3HD2 LEU 26 -7.157 -3.052 4.225
193 H ASN 27 H ASN 27 -10.778 1.462 1.939
194 HA ASN 27 HA ASN 27 -12.117 1.042 4.573
195 1HB ASN 27 1HB ASN 27 -10.077 2.338 4.640
196 2HB ASN 27 2HB ASN 27 -10.553 3.296 3.250
197 1HD2 ASN 27 2HD2 ASN 27 -11.221 5.315 3.741
198 2HD2 ASN 27 1HD2 ASN 27 -11.812 5.816 5.302
199 H VAL 28 H VAL 28 -12.353 2.619 1.413
200 HA VAL 28 HA VAL 28 -14.931 3.869 1.993
201 HB VAL 28 HB VAL 28 -13.335 3.548 -0.574
202 1HG1 VAL 28 1HG1 VAL 28 -14.824 5.343 -1.463
203 2HG1 VAL 28 2HG1 VAL 28 -15.696 3.842 -1.152
204 3HG1 VAL 28 3HG1 VAL 28 -15.838 5.196 -0.016
205 1HG2 VAL 28 1HG2 VAL 28 -12.835 5.948 -0.250
206 2HG2 VAL 28 2HG2 VAL 28 -13.774 5.965 1.255
207 3HG2 VAL 28 3HG2 VAL 28 -12.271 5.035 1.150
208 H VAL 29 H VAL 29 -13.814 0.892 0.200
209 HA VAL 29 HA VAL 29 -16.382 0.258 -0.720
210 HB VAL 29 HB VAL 29 -13.903 -0.470 -1.194
211 1HG1 VAL 29 1HG1 VAL 29 -13.414 -2.824 -0.809
212 2HG1 VAL 29 2HG1 VAL 29 -13.446 -1.907 0.695
213 3HG1 VAL 29 3HG1 VAL 29 -14.809 -2.966 0.259
214 1HG2 VAL 29 1HG2 VAL 29 -16.315 -2.260 -1.743
215 2HG2 VAL 29 2HG2 VAL 29 -15.878 -0.809 -2.669
216 3HG2 VAL 29 3HG2 VAL 29 -14.817 -2.228 -2.701
217 H THR 30 H THR 30 -14.653 -0.842 2.133
218 HA THR 30 HA THR 30 -16.483 -2.712 3.043
219 HB THR 30 HB THR 30 -15.429 -2.139 5.268
220 HG1 THR 30 HG1 THR 30 -14.744 -0.118 5.130
221 1HG2 THR 30 1HG2 THR 30 -14.489 -3.946 3.931
222 2HG2 THR 30 2HG2 THR 30 -13.184 -3.019 4.651
223 3HG2 THR 30 3HG2 THR 30 -13.591 -2.792 2.936
224 H ARG 31 H ARG 31 -16.462 0.784 3.547
225 HA ARG 31 HA ARG 31 -18.638 0.813 5.340
226 1HB ARG 31 1HB ARG 31 -16.842 2.632 4.618
227 2HB ARG 31 2HB ARG 31 -18.095 3.141 3.490
228 1HG ARG 31 1HG ARG 31 -18.219 4.499 5.463
229 2HG ARG 31 2HG ARG 31 -19.639 3.451 5.489
230 1HD ARG 31 1HD ARG 31 -18.587 1.984 7.146
231 2HD ARG 31 2HD ARG 31 -17.053 2.834 6.990
232 HE ARG 31 HE ARG 31 -19.520 3.744 8.356
233 1HH1 ARG 31 1HH1 ARG 31 -16.019 4.336 7.722
234 2HH1 ARG 31 2HH1 ARG 31 -15.968 5.655 8.824
235 1HH2 ARG 31 1HH2 ARG 31 -19.330 5.684 9.738
236 2HH2 ARG 31 2HH2 ARG 31 -17.761 6.349 9.961
237 H HIS 32 H HIS 32 -18.843 -0.218 2.202
238 HA HIS 32 HA HIS 32 -21.698 0.439 1.926
239 1HB HIS 32 1HB HIS 32 -19.407 0.268 -0.050
240 2HB HIS 32 2HB HIS 32 -21.039 -0.126 -0.526
241 HD1 HIS 32 HD1 HIS 32 -22.898 1.894 -0.347
242 HD2 HIS 32 HD2 HIS 32 -18.860 2.864 0.383
243 HE1 HIS 32 HE1 HIS 32 -22.799 4.434 -0.067
244 H ARG 33 H ARG 33 -20.471 -1.613 3.586
245 HA ARG 33 HA ARG 33 -20.843 -3.697 4.245
246 1HB ARG 33 1HB ARG 33 -23.030 -3.907 2.147
247 2HB ARG 33 2HB ARG 33 -22.811 -4.913 3.580
248 1HG ARG 33 1HG ARG 33 -23.181 -2.939 5.040
249 2HG ARG 33 2HG ARG 33 -23.379 -1.931 3.605
250 1HD ARG 33 1HD ARG 33 -25.359 -3.187 2.918
251 2HD ARG 33 2HD ARG 33 -25.163 -4.267 4.310
252 HE ARG 33 HE ARG 33 -26.106 -2.740 5.672
253 1HH1 ARG 33 1HH1 ARG 33 -25.110 -0.957 2.728
254 2HH1 ARG 33 2HH1 ARG 33 -25.605 0.562 3.371
255 1HH2 ARG 33 1HH2 ARG 33 -27.175 -0.763 6.230
256 2HH2 ARG 33 2HH2 ARG 33 -27.006 0.624 5.206
257 H TYR 34 H TYR 34 -18.595 -3.670 3.140
258 HA TYR 34 HA TYR 34 -18.460 -6.107 1.557
259 1HB TYR 34 1HB TYR 34 -18.594 -3.852 0.056
260 2HB TYR 34 2HB TYR 34 -16.886 -3.805 0.428
261 HD1 TYR 34 HD1 TYR 34 -15.374 -5.220 -0.898
262 HD2 TYR 34 HD2 TYR 34 -19.638 -5.942 -0.921
263 HE1 TYR 34 HE1 TYR 34 -15.102 -6.878 -2.726
264 HE2 TYR 34 HE2 TYR 34 -19.365 -7.578 -2.736
265 HH TYR 34 HH TYR 34 -17.888 -8.388 -4.351
266 1HN NH2 35 1H NH2 35 -15.719 -6.219 1.111
267 2HN NH2 35 2H NH2 35 -14.869 -5.961 2.596
268 3HM EAB 10 3HM AZT 10 15.434 0.578 4.686
269 2HM EAB 10 2HM AZT 10 15.632 1.901 5.826
270 HL EAB 10 HL AZT 10 12.208 1.091 6.259
271 HK2 EAB 10 HK2 AZT 10 11.338 -0.435 7.987
272 HJ2 EAB 10 HJ2 AZT 10 12.844 -1.986 9.183
273 HG1 EAB 10 HG1 AZT 10 14.859 -5.856 9.189
274 HG2 EAB 10 HG2 AZT 10 18.916 -7.202 8.982
275 HD2 EAB 10 HD2 AZT 10 19.711 -4.851 8.944
276 HE EAB 10 HE AZT 10 18.072 -2.989 9.016
277 2HA EAB 10 2HA AZT 10 15.704 -8.217 10.042
278 3HA EAB 10 3HA AZT 10 17.208 -8.747 9.246
279 1HN EAB 10 H AZT 10 14.941 -7.734 7.607
280 HJ1 EAB 10 HJ1 AZT 10 16.174 -0.468 6.911
Start of MODEL 4
1 1H GLY 1 H GLY 1 11.855 -21.812 -18.610
2 1HA GLY 1 1HA GLY 1 9.376 -21.816 -18.549
3 2HA GLY 1 2HA GLY 1 10.117 -21.517 -16.958
4 HA PRO 2 HA PRO 2 7.374 -17.897 -17.608
5 1HB PRO 2 1HB PRO 2 6.486 -17.622 -15.053
6 2HB PRO 2 2HB PRO 2 5.892 -18.949 -16.085
7 1HG PRO 2 1HG PRO 2 8.108 -19.056 -14.016
8 2HG PRO 2 2HG PRO 2 6.740 -20.185 -14.199
9 1HD PRO 2 1HD PRO 2 9.246 -20.621 -15.219
10 2HD PRO 2 2HD PRO 2 7.773 -21.248 -16.019
11 H SER 3 H SER 3 7.405 -15.685 -16.615
12 HA SER 3 HA SER 3 10.132 -14.873 -15.859
13 1HB SER 3 1HB SER 3 7.661 -13.151 -16.240
14 2HB SER 3 2HB SER 3 9.359 -12.676 -16.364
15 HG SER 3 HG SER 3 8.464 -12.841 -18.342
16 H GLN 4 H GLN 4 9.727 -12.747 -14.186
17 HA GLN 4 HA GLN 4 9.689 -12.349 -11.925
18 1HB GLN 4 1HB GLN 4 6.789 -12.753 -12.684
19 2HB GLN 4 2HB GLN 4 7.314 -11.981 -11.184
20 1HG GLN 4 1HG GLN 4 8.457 -10.201 -12.385
21 2HG GLN 4 2HG GLN 4 8.178 -11.002 -13.935
22 1HE2 GLN 4 2HE2 GLN 4 7.083 -8.358 -12.321
23 2HE2 GLN 4 1HE2 GLN 4 5.492 -8.349 -13.075
24 HA PRO 5 HA PRO 5 9.444 -16.775 -10.450
25 1HB PRO 5 1HB PRO 5 12.010 -17.010 -9.527
26 2HB PRO 5 2HB PRO 5 11.604 -17.191 -11.259
27 1HG PRO 5 1HG PRO 5 12.627 -14.724 -9.811
28 2HG PRO 5 2HG PRO 5 13.260 -15.461 -11.323
29 1HD PRO 5 1HD PRO 5 11.514 -13.377 -11.341
30 2HD PRO 5 2HD PRO 5 11.439 -14.669 -12.580
31 H THR 6 H THR 6 10.068 -17.558 -8.167
32 HA THR 6 HA THR 6 8.906 -15.696 -6.250
33 HB THR 6 HB THR 6 9.492 -17.506 -4.593
34 HG1 THR 6 HG1 THR 6 10.524 -18.749 -6.927
35 1HG2 THR 6 1HG2 THR 6 7.305 -17.514 -5.809
36 2HG2 THR 6 2HG2 THR 6 7.866 -19.124 -5.343
37 3HG2 THR 6 3HG2 THR 6 8.025 -18.591 -7.031
38 H TYR 7 H TYR 7 10.014 -14.619 -4.582
39 HA TYR 7 HA TYR 7 12.977 -14.487 -4.778
40 1HB TYR 7 1HB TYR 7 12.581 -12.052 -4.052
41 2HB TYR 7 2HB TYR 7 12.332 -12.496 -5.724
42 HD1 TYR 7 HD1 TYR 7 10.280 -12.039 -6.826
43 HD2 TYR 7 HD2 TYR 7 10.454 -11.916 -2.513
44 HE1 TYR 7 HE1 TYR 7 8.031 -10.998 -6.764
45 HE2 TYR 7 HE2 TYR 7 8.250 -10.852 -2.438
46 HH TYR 7 HH TYR 7 6.339 -10.115 -5.409
47 HA PRO 8 HA PRO 8 12.813 -15.505 -0.513
48 1HB PRO 8 1HB PRO 8 15.086 -14.422 0.521
49 2HB PRO 8 2HB PRO 8 15.139 -15.727 -0.704
50 1HG PRO 8 1HG PRO 8 15.363 -12.736 -1.178
51 2HG PRO 8 2HG PRO 8 16.469 -14.028 -1.755
52 1HD PRO 8 1HD PRO 8 14.464 -13.039 -3.311
53 2HD PRO 8 2HD PRO 8 14.896 -14.774 -3.359
54 H GLY 9 H GLY 9 12.834 -14.465 1.752
55 1HA GLY 9 1HA GLY 9 12.259 -11.613 1.852
56 2HA GLY 9 2HA GLY 9 10.868 -12.683 2.141
57 HA PRO 11 HA PRO 11 12.120 1.893 2.783
58 1HB PRO 11 1HB PRO 11 10.103 0.935 1.213
59 2HB PRO 11 2HB PRO 11 11.803 0.627 0.806
60 1HG PRO 11 1HG PRO 11 9.835 -1.266 2.072
61 2HG PRO 11 2HG PRO 11 11.116 -1.607 0.874
62 1HD PRO 11 1HD PRO 11 11.301 -2.007 3.639
63 2HD PRO 11 2HD PRO 11 12.698 -1.857 2.539
64 H VAL 12 H VAL 12 10.910 3.257 4.200
65 HA VAL 12 HA VAL 12 8.552 2.002 5.479
66 HB VAL 12 HB VAL 12 9.275 4.170 6.990
67 1HG1 VAL 12 1HG1 VAL 12 10.123 1.277 7.481
68 2HG1 VAL 12 2HG1 VAL 12 9.834 2.534 8.715
69 3HG1 VAL 12 3HG1 VAL 12 8.485 1.918 7.760
70 1HG2 VAL 12 1HG2 VAL 12 11.575 3.891 7.745
71 2HG2 VAL 12 2HG2 VAL 12 11.902 2.754 6.441
72 3HG2 VAL 12 3HG2 VAL 12 11.506 4.456 6.073
73 H GLU 13 H GLU 13 9.738 5.345 4.913
74 HA GLU 13 HA GLU 13 7.203 6.340 4.329
75 1HB GLU 13 1HB GLU 13 9.413 7.480 4.899
76 2HB GLU 13 2HB GLU 13 9.785 7.428 3.174
77 1HG GLU 13 1HG GLU 13 7.841 8.826 2.666
78 2HG GLU 13 2HG GLU 13 7.263 8.701 4.340
79 H ASP 14 H ASP 14 9.470 4.720 2.229
80 HA ASP 14 HA ASP 14 8.079 5.378 -0.230
81 1HB ASP 14 1HB ASP 14 10.527 5.077 -0.119
82 2HB ASP 14 2HB ASP 14 10.282 3.394 0.320
83 H LEU 15 H LEU 15 7.834 2.872 2.185
84 HA LEU 15 HA LEU 15 6.488 0.997 0.344
85 1HB LEU 15 1HB LEU 15 8.070 0.166 2.072
86 2HB LEU 15 2HB LEU 15 7.051 0.809 3.347
87 HG LEU 15 HG LEU 15 5.187 -0.690 2.535
88 1HD1 LEU 15 1HD1 LEU 15 7.385 -1.887 0.789
89 2HD1 LEU 15 2HD1 LEU 15 5.903 -1.106 0.204
90 3HD1 LEU 15 3HD1 LEU 15 5.801 -2.628 1.078
91 1HD2 LEU 15 1HD2 LEU 15 6.574 -1.313 4.424
92 2HD2 LEU 15 2HD2 LEU 15 7.736 -2.100 3.330
93 3HD2 LEU 15 3HD2 LEU 15 6.075 -2.729 3.489
94 H ILE 16 H ILE 16 5.724 3.032 3.210
95 HA ILE 16 HA ILE 16 3.054 2.165 3.502
96 HB ILE 16 HB ILE 16 2.650 4.166 4.790
97 1HG1 ILE 16 1HG1 ILE 16 5.372 5.130 3.822
98 2HG1 ILE 16 2HG1 ILE 16 3.814 5.854 3.460
99 1HG2 ILE 16 1HG2 ILE 16 3.836 2.189 5.722
100 2HG2 ILE 16 2HG2 ILE 16 5.386 2.995 5.447
101 3HG2 ILE 16 3HG2 ILE 16 4.200 3.697 6.555
102 1HD1 ILE 16 1HD1 ILE 16 4.921 7.165 5.162
103 2HD1 ILE 16 2HD1 ILE 16 3.498 6.375 5.874
104 3HD1 ILE 16 3HD1 ILE 16 5.138 5.751 6.195
105 H ARG 17 H ARG 17 4.366 4.525 1.167
106 HA ARG 17 HA ARG 17 1.812 5.588 0.528
107 1HB ARG 17 1HB ARG 17 2.893 6.203 -1.711
108 2HB ARG 17 2HB ARG 17 3.652 6.837 -0.256
109 1HG ARG 17 1HG ARG 17 5.486 5.344 -0.391
110 2HG ARG 17 2HG ARG 17 4.694 4.314 -1.598
111 1HD ARG 17 1HD ARG 17 5.240 5.670 -3.343
112 2HD ARG 17 2HD ARG 17 5.043 7.144 -2.423
113 HE ARG 17 HE ARG 17 7.478 5.431 -2.444
114 1HH1 ARG 17 1HH1 ARG 17 6.044 8.626 -1.584
115 2HH1 ARG 17 2HH1 ARG 17 7.600 9.369 -1.411
116 1HH2 ARG 17 1HH2 ARG 17 9.376 6.413 -2.303
117 2HH2 ARG 17 2HH2 ARG 17 9.585 8.117 -1.933
118 H PHE 18 H PHE 18 3.008 2.524 -0.239
119 HA PHE 18 HA PHE 18 1.088 2.172 -2.488
120 1HB PHE 18 1HB PHE 18 2.953 0.218 -1.083
121 2HB PHE 18 2HB PHE 18 1.893 -0.182 -2.431
122 HD1 PHE 18 HD1 PHE 18 5.110 1.262 -1.488
123 HD2 PHE 18 HD2 PHE 18 2.190 1.004 -4.651
124 HE1 PHE 18 HE1 PHE 18 6.804 2.037 -3.112
125 HE2 PHE 18 HE2 PHE 18 3.898 1.764 -6.275
126 HZ PHE 18 HZ PHE 18 6.211 2.284 -5.505
127 H TYR 19 H TYR 19 1.543 1.338 0.947
128 HA TYR 19 HA TYR 19 -0.828 -0.274 1.052
129 1HB TYR 19 1HB TYR 19 1.311 -0.123 2.694
130 2HB TYR 19 2HB TYR 19 0.220 0.911 3.596
131 HD1 TYR 19 HD1 TYR 19 -1.562 -0.103 4.909
132 HD2 TYR 19 HD2 TYR 19 0.463 -2.382 1.859
133 HE1 TYR 19 HE1 TYR 19 -2.850 -2.102 5.562
134 HE2 TYR 19 HE2 TYR 19 -0.778 -4.422 2.551
135 HH TYR 19 HH TYR 19 -3.346 -4.346 5.031
136 H ASN 20 H ASN 20 -0.126 3.015 2.237
137 HA ASN 20 HA ASN 20 -2.634 3.667 3.338
138 1HB ASN 20 1HB ASN 20 -0.431 5.320 2.026
139 2HB ASN 20 2HB ASN 20 -1.845 6.065 2.734
140 1HD2 ASN 20 2HD2 ASN 20 0.915 6.433 3.608
141 2HD2 ASN 20 1HD2 ASN 20 0.929 5.922 5.290
142 H ASP 21 H ASP 21 -1.509 3.636 0.001
143 HA ASP 21 HA ASP 21 -3.780 5.089 -1.077
144 1HB ASP 21 1HB ASP 21 -1.600 5.119 -2.178
145 2HB ASP 21 2HB ASP 21 -1.605 3.361 -2.320
146 H LEU 22 H LEU 22 -2.738 1.623 -1.036
147 HA LEU 22 HA LEU 22 -5.149 0.627 -2.206
148 1HB LEU 22 1HB LEU 22 -3.039 -0.599 -0.384
149 2HB LEU 22 2HB LEU 22 -4.418 -1.529 -0.952
150 HG LEU 22 HG LEU 22 -2.519 -0.149 -2.868
151 1HD1 LEU 22 1HD1 LEU 22 -1.379 -2.270 -3.155
152 2HD1 LEU 22 2HD1 LEU 22 -2.451 -3.054 -1.980
153 3HD1 LEU 22 3HD1 LEU 22 -1.294 -1.802 -1.455
154 1HD2 LEU 22 1HD2 LEU 22 -3.468 -1.780 -4.488
155 2HD2 LEU 22 2HD2 LEU 22 -4.743 -0.775 -3.807
156 3HD2 LEU 22 3HD2 LEU 22 -4.522 -2.435 -3.226
157 H GLN 23 H GLN 23 -4.404 1.730 1.009
158 HA GLN 23 HA GLN 23 -6.441 0.452 2.486
159 1HB GLN 23 1HB GLN 23 -4.368 1.853 3.257
160 2HB GLN 23 2HB GLN 23 -5.455 3.239 3.127
161 1HG GLN 23 1HG GLN 23 -6.982 2.121 4.749
162 2HG GLN 23 2HG GLN 23 -5.853 0.762 4.854
163 1HE2 GLN 23 2HE2 GLN 23 -6.726 2.732 6.979
164 2HE2 GLN 23 1HE2 GLN 23 -5.203 3.332 7.625
165 H GLN 24 H GLN 24 -6.462 3.356 0.367
166 HA GLN 24 HA GLN 24 -8.997 4.349 1.262
167 1HB GLN 24 1HB GLN 24 -7.757 4.555 -1.524
168 2HB GLN 24 2HB GLN 24 -9.112 5.504 -0.909
169 1HG GLN 24 1HG GLN 24 -7.562 6.422 0.881
170 2HG GLN 24 2HG GLN 24 -6.230 5.606 0.053
171 1HE2 GLN 24 2HE2 GLN 24 -8.696 8.156 -0.264
172 2HE2 GLN 24 1HE2 GLN 24 -7.902 8.997 -1.603
173 H TYR 25 H TYR 25 -8.038 2.022 -1.315
174 HA TYR 25 HA TYR 25 -10.773 1.429 -2.118
175 1HB TYR 25 1HB TYR 25 -8.551 1.207 -3.454
176 2HB TYR 25 2HB TYR 25 -8.320 -0.297 -2.576
177 HD1 TYR 25 HD1 TYR 25 -10.674 1.557 -4.832
178 HD2 TYR 25 HD2 TYR 25 -9.341 -2.304 -3.455
179 HE1 TYR 25 HE1 TYR 25 -12.067 0.457 -6.559
180 HE2 TYR 25 HE2 TYR 25 -10.746 -3.403 -5.126
181 HH TYR 25 HH TYR 25 -12.131 -3.084 -6.978
182 H LEU 26 H LEU 26 -9.038 0.601 0.775
183 HA LEU 26 HA LEU 26 -10.749 -1.697 1.153
184 1HB LEU 26 1HB LEU 26 -8.536 -2.500 1.217
185 2HB LEU 26 2HB LEU 26 -7.901 -1.005 1.820
186 HG LEU 26 HG LEU 26 -8.812 -1.499 4.036
187 1HD1 LEU 26 1HD1 LEU 26 -9.092 -4.349 2.910
188 2HD1 LEU 26 2HD1 LEU 26 -10.464 -3.338 3.384
189 3HD1 LEU 26 3HD1 LEU 26 -9.321 -3.882 4.607
190 1HD2 LEU 26 1HD2 LEU 26 -6.760 -3.429 2.888
191 2HD2 LEU 26 2HD2 LEU 26 -6.987 -3.071 4.620
192 3HD2 LEU 26 3HD2 LEU 26 -6.452 -1.791 3.517
193 H ASN 27 H ASN 27 -10.765 1.453 1.785
194 HA ASN 27 HA ASN 27 -12.176 1.089 4.420
195 1HB ASN 27 1HB ASN 27 -10.205 2.510 4.655
196 2HB ASN 27 2HB ASN 27 -10.688 3.479 3.261
197 1HD2 ASN 27 2HD2 ASN 27 -11.072 5.496 4.254
198 2HD2 ASN 27 1HD2 ASN 27 -12.229 5.681 5.574
199 H VAL 28 H VAL 28 -12.158 2.715 1.255
200 HA VAL 28 HA VAL 28 -14.802 3.894 1.676
201 HB VAL 28 HB VAL 28 -13.124 3.601 -0.849
202 1HG1 VAL 28 1HG1 VAL 28 -14.442 5.479 -1.754
203 2HG1 VAL 28 2HG1 VAL 28 -15.473 4.083 -1.444
204 3HG1 VAL 28 3HG1 VAL 28 -15.483 5.459 -0.326
205 1HG2 VAL 28 1HG2 VAL 28 -13.473 5.989 1.017
206 2HG2 VAL 28 2HG2 VAL 28 -12.013 4.991 0.947
207 3HG2 VAL 28 3HG2 VAL 28 -12.485 5.957 -0.454
208 H VAL 29 H VAL 29 -13.528 0.893 0.279
209 HA VAL 29 HA VAL 29 -15.974 0.202 -1.021
210 HB VAL 29 HB VAL 29 -13.416 -0.473 -1.308
211 1HG1 VAL 29 1HG1 VAL 29 -12.983 -2.822 -0.778
212 2HG1 VAL 29 2HG1 VAL 29 -13.091 -1.810 0.671
213 3HG1 VAL 29 3HG1 VAL 29 -14.455 -2.877 0.207
214 1HG2 VAL 29 1HG2 VAL 29 -15.730 -2.335 -1.967
215 2HG2 VAL 29 2HG2 VAL 29 -15.288 -0.894 -2.892
216 3HG2 VAL 29 3HG2 VAL 29 -14.168 -2.261 -2.813
217 H THR 30 H THR 30 -14.401 -0.910 1.936
218 HA THR 30 HA THR 30 -16.392 -2.565 2.904
219 HB THR 30 HB THR 30 -15.185 -2.114 5.101
220 HG1 THR 30 HG1 THR 30 -14.225 -0.256 4.987
221 1HG2 THR 30 1HG2 THR 30 -13.429 -2.867 2.717
222 2HG2 THR 30 2HG2 THR 30 -14.509 -3.979 3.579
223 3HG2 THR 30 3HG2 THR 30 -13.123 -3.256 4.412
224 H ARG 31 H ARG 31 -16.073 0.948 3.375
225 HA ARG 31 HA ARG 31 -18.067 1.121 5.368
226 1HB ARG 31 1HB ARG 31 -16.455 2.959 4.421
227 2HB ARG 31 2HB ARG 31 -17.757 3.274 3.280
228 1HG ARG 31 1HG ARG 31 -19.282 3.655 5.320
229 2HG ARG 31 2HG ARG 31 -17.834 3.506 6.333
230 1HD ARG 31 1HD ARG 31 -16.767 5.340 5.008
231 2HD ARG 31 2HD ARG 31 -18.254 5.417 4.026
232 HE ARG 31 HE ARG 31 -18.585 5.847 6.898
233 1HH1 ARG 31 1HH1 ARG 31 -18.032 7.388 3.729
234 2HH1 ARG 31 2HH1 ARG 31 -18.879 8.849 4.098
235 1HH2 ARG 31 1HH2 ARG 31 -19.707 7.805 7.415
236 2HH2 ARG 31 2HH2 ARG 31 -19.873 9.078 6.271
237 H HIS 32 H HIS 32 -18.496 0.054 2.259
238 HA HIS 32 HA HIS 32 -21.408 0.294 2.439
239 1HB HIS 32 1HB HIS 32 -19.582 1.396 0.365
240 2HB HIS 32 2HB HIS 32 -20.876 0.429 -0.269
241 HD1 HIS 32 HD1 HIS 32 -23.319 1.524 -0.281
242 HD2 HIS 32 HD2 HIS 32 -20.321 3.623 1.828
243 HE1 HIS 32 HE1 HIS 32 -24.375 3.702 0.469
244 H ARG 33 H ARG 33 -18.994 -1.829 2.574
245 HA ARG 33 HA ARG 33 -20.644 -4.110 1.942
246 1HB ARG 33 1HB ARG 33 -19.853 -3.276 -0.365
247 2HB ARG 33 2HB ARG 33 -18.253 -3.852 0.075
248 1HG ARG 33 1HG ARG 33 -19.226 -6.161 0.334
249 2HG ARG 33 2HG ARG 33 -20.823 -5.510 -0.066
250 1HD ARG 33 1HD ARG 33 -20.207 -5.092 -2.322
251 2HD ARG 33 2HD ARG 33 -18.480 -5.269 -1.967
252 HE ARG 33 HE ARG 33 -19.836 -7.682 -1.305
253 1HH1 ARG 33 1HH1 ARG 33 -18.844 -5.888 -4.254
254 2HH1 ARG 33 2HH1 ARG 33 -18.631 -7.329 -5.172
255 1HH2 ARG 33 1HH2 ARG 33 -19.281 -9.529 -2.483
256 2HH2 ARG 33 2HH2 ARG 33 -18.821 -9.437 -4.149
257 H TYR 34 H TYR 34 -19.048 -3.288 4.328
258 HA TYR 34 HA TYR 34 -16.592 -4.753 4.412
259 1HB TYR 34 1HB TYR 34 -17.119 -3.010 6.075
260 2HB TYR 34 2HB TYR 34 -18.486 -3.954 6.661
261 HD1 TYR 34 HD1 TYR 34 -18.152 -5.869 8.135
262 HD2 TYR 34 HD2 TYR 34 -14.743 -3.804 6.469
263 HE1 TYR 34 HE1 TYR 34 -16.630 -7.255 9.515
264 HE2 TYR 34 HE2 TYR 34 -13.235 -5.173 7.837
265 HH TYR 34 HH TYR 34 -13.081 -6.855 9.472
266 1HN NH2 35 1H NH2 35 -16.206 -6.870 5.393
267 2HN NH2 35 2H NH2 35 -17.510 -8.004 5.663
268 3HM EAB 10 3HM AZT 10 14.494 -1.543 4.114
269 2HM EAB 10 2HM AZT 10 14.685 -0.757 5.675
270 HL EAB 10 HL AZT 10 11.430 -1.049 6.251
271 HK2 EAB 10 HK2 AZT 10 10.291 -2.950 7.328
272 HJ2 EAB 10 HJ2 AZT 10 11.280 -5.217 7.269
273 HG1 EAB 10 HG1 AZT 10 12.106 -9.185 6.309
274 HG2 EAB 10 HG2 AZT 10 15.636 -11.509 5.504
275 HD2 EAB 10 HD2 AZT 10 17.007 -9.445 5.541
276 HE EAB 10 HE AZT 10 15.939 -7.249 5.953
277 2HA EAB 10 2HA AZT 10 12.061 -11.641 6.444
278 3HA EAB 10 3HA AZT 10 13.515 -12.591 6.017
279 1HN EAB 10 H AZT 10 12.289 -10.853 3.942
280 HJ1 EAB 10 HJ1 AZT 10 14.704 -3.676 5.160
Start of MODEL 5
1 1H GLY 1 H GLY 1 -9.836 -21.292 0.898
2 1HA GLY 1 1HA GLY 1 -12.687 -21.532 1.682
3 2HA GLY 1 2HA GLY 1 -11.433 -20.819 2.696
4 HA PRO 2 HA PRO 2 -13.175 -17.496 -0.125
5 1HB PRO 2 1HB PRO 2 -14.467 -15.891 1.656
6 2HB PRO 2 2HB PRO 2 -15.228 -17.344 0.937
7 1HG PRO 2 1HG PRO 2 -13.886 -17.094 3.648
8 2HG PRO 2 2HG PRO 2 -15.474 -17.822 3.250
9 1HD PRO 2 1HD PRO 2 -13.185 -19.312 3.533
10 2HD PRO 2 2HD PRO 2 -14.476 -19.765 2.394
11 H SER 3 H SER 3 -11.163 -17.699 2.741
12 HA SER 3 HA SER 3 -10.290 -14.924 2.710
13 1HB SER 3 1HB SER 3 -9.169 -17.343 4.197
14 2HB SER 3 2HB SER 3 -8.929 -15.639 4.589
15 HG SER 3 HG SER 3 -11.370 -15.628 4.662
16 H GLN 4 H GLN 4 -8.184 -14.219 2.304
17 HA GLN 4 HA GLN 4 -6.382 -16.029 0.749
18 1HB GLN 4 1HB GLN 4 -7.209 -13.176 0.061
19 2HB GLN 4 2HB GLN 4 -5.965 -14.095 -0.773
20 1HG GLN 4 1HG GLN 4 -8.896 -14.883 -0.666
21 2HG GLN 4 2HG GLN 4 -8.123 -13.995 -1.975
22 1HE2 GLN 4 2HE2 GLN 4 -9.182 -15.960 -3.073
23 2HE2 GLN 4 1HE2 GLN 4 -8.088 -17.297 -3.364
24 HA PRO 5 HA PRO 5 -4.249 -13.659 4.184
25 1HB PRO 5 1HB PRO 5 -3.156 -15.738 5.590
26 2HB PRO 5 2HB PRO 5 -4.839 -15.182 5.834
27 1HG PRO 5 1HG PRO 5 -3.892 -17.462 4.080
28 2HG PRO 5 2HG PRO 5 -5.178 -17.499 5.332
29 1HD PRO 5 1HD PRO 5 -5.771 -17.139 2.703
30 2HD PRO 5 2HD PRO 5 -6.649 -16.243 3.975
31 H THR 6 H THR 6 -1.760 -13.695 4.613
32 HA THR 6 HA THR 6 -0.166 -14.992 2.503
33 HB THR 6 HB THR 6 1.047 -12.772 2.364
34 HG1 THR 6 HG1 THR 6 0.074 -10.951 2.985
35 1HG2 THR 6 1HG2 THR 6 -0.465 -11.829 0.681
36 2HG2 THR 6 2HG2 THR 6 -1.787 -12.837 1.290
37 3HG2 THR 6 3HG2 THR 6 -0.375 -13.593 0.530
38 H TYR 7 H TYR 7 2.289 -14.497 3.081
39 HA TYR 7 HA TYR 7 2.761 -14.407 5.967
40 1HB TYR 7 1HB TYR 7 4.287 -16.400 5.658
41 2HB TYR 7 2HB TYR 7 2.582 -16.755 5.611
42 HD1 TYR 7 HD1 TYR 7 1.474 -17.525 3.511
43 HD2 TYR 7 HD2 TYR 7 5.684 -16.577 3.619
44 HE1 TYR 7 HE1 TYR 7 1.788 -18.677 1.348
45 HE2 TYR 7 HE2 TYR 7 6.002 -17.725 1.462
46 HH TYR 7 HH TYR 7 3.355 -19.341 -0.325
47 HA PRO 8 HA PRO 8 6.120 -11.948 4.383
48 1HB PRO 8 1HB PRO 8 7.915 -12.015 6.461
49 2HB PRO 8 2HB PRO 8 6.352 -11.144 6.551
50 1HG PRO 8 1HG PRO 8 6.982 -13.933 7.568
51 2HG PRO 8 2HG PRO 8 6.165 -12.599 8.441
52 1HD PRO 8 1HD PRO 8 4.774 -14.584 7.201
53 2HD PRO 8 2HD PRO 8 4.182 -12.900 7.190
54 H GLY 9 H GLY 9 8.465 -12.159 3.735
55 1HA GLY 9 1HA GLY 9 9.023 -14.908 2.858
56 2HA GLY 9 2HA GLY 9 9.812 -13.424 2.323
57 HA PRO 11 HA PRO 11 12.830 -0.264 1.139
58 1HB PRO 11 1HB PRO 11 11.184 -1.169 -0.791
59 2HB PRO 11 2HB PRO 11 12.945 -1.445 -0.889
60 1HG PRO 11 1HG PRO 11 10.788 -3.400 -0.106
61 2HG PRO 11 2HG PRO 11 12.271 -3.687 -1.048
62 1HD PRO 11 1HD PRO 11 11.972 -4.223 1.680
63 2HD PRO 11 2HD PRO 11 13.541 -3.971 0.868
64 H VAL 12 H VAL 12 11.699 0.451 3.107
65 HA VAL 12 HA VAL 12 8.996 -0.685 3.567
66 HB VAL 12 HB VAL 12 9.668 0.878 5.741
67 1HG1 VAL 12 1HG1 VAL 12 9.826 -1.287 6.949
68 2HG1 VAL 12 2HG1 VAL 12 8.506 -1.276 5.764
69 3HG1 VAL 12 3HG1 VAL 12 10.011 -2.131 5.402
70 1HG2 VAL 12 1HG2 VAL 12 11.752 0.273 6.656
71 2HG2 VAL 12 2HG2 VAL 12 12.144 -0.791 5.301
72 3HG2 VAL 12 3HG2 VAL 12 12.079 0.976 5.068
73 H GLU 13 H GLU 13 10.810 2.440 3.386
74 HA GLU 13 HA GLU 13 8.519 4.086 3.741
75 1HB GLU 13 1HB GLU 13 10.809 4.860 3.924
76 2HB GLU 13 2HB GLU 13 11.133 4.497 2.225
77 1HG GLU 13 1HG GLU 13 9.597 6.253 1.498
78 2HG GLU 13 2HG GLU 13 9.065 6.517 3.162
79 H ASP 14 H ASP 14 10.090 2.857 0.784
80 HA ASP 14 HA ASP 14 8.187 3.957 -1.031
81 1HB ASP 14 1HB ASP 14 10.481 3.250 -1.610
82 2HB ASP 14 2HB ASP 14 10.048 1.558 -1.316
83 H LEU 15 H LEU 15 8.143 1.035 0.930
84 HA LEU 15 HA LEU 15 6.101 -0.321 -0.639
85 1HB LEU 15 1HB LEU 15 7.748 -1.595 0.717
86 2HB LEU 15 2HB LEU 15 7.087 -0.909 2.199
87 HG LEU 15 HG LEU 15 5.072 -2.136 0.379
88 1HD1 LEU 15 1HD1 LEU 15 6.926 -3.706 0.036
89 2HD1 LEU 15 2HD1 LEU 15 5.582 -4.445 0.919
90 3HD1 LEU 15 3HD1 LEU 15 7.040 -3.943 1.795
91 1HD2 LEU 15 1HD2 LEU 15 4.201 -3.112 2.467
92 2HD2 LEU 15 2HD2 LEU 15 4.438 -1.380 2.654
93 3HD2 LEU 15 3HD2 LEU 15 5.613 -2.504 3.353
94 H ILE 16 H ILE 16 6.144 1.353 2.584
95 HA ILE 16 HA ILE 16 3.340 1.079 2.932
96 HB ILE 16 HB ILE 16 3.473 2.687 4.714
97 1HG1 ILE 16 1HG1 ILE 16 6.257 3.285 3.681
98 2HG1 ILE 16 2HG1 ILE 16 4.918 4.391 3.934
99 1HG2 ILE 16 1HG2 ILE 16 5.825 0.759 4.814
100 2HG2 ILE 16 2HG2 ILE 16 4.850 1.368 6.173
101 3HG2 ILE 16 3HG2 ILE 16 4.121 0.296 4.984
102 1HD1 ILE 16 1HD1 ILE 16 6.520 4.754 5.684
103 2HD1 ILE 16 2HD1 ILE 16 5.127 3.932 6.426
104 3HD1 ILE 16 3HD1 ILE 16 6.617 3.030 6.058
105 H ARG 17 H ARG 17 5.166 3.558 1.100
106 HA ARG 17 HA ARG 17 2.935 5.269 0.908
107 1HB ARG 17 1HB ARG 17 5.451 5.637 0.190
108 2HB ARG 17 2HB ARG 17 4.958 4.858 -1.319
109 1HG ARG 17 1HG ARG 17 3.041 6.844 -1.092
110 2HG ARG 17 2HG ARG 17 4.387 7.594 -0.245
111 1HD ARG 17 1HD ARG 17 4.226 6.642 -3.113
112 2HD ARG 17 2HD ARG 17 4.486 8.283 -2.540
113 HE ARG 17 HE ARG 17 6.699 7.730 -1.861
114 1HH1 ARG 17 1HH1 ARG 17 5.157 5.171 -3.881
115 2HH1 ARG 17 2HH1 ARG 17 6.646 4.585 -4.493
116 1HH2 ARG 17 1HH2 ARG 17 8.680 6.675 -2.446
117 2HH2 ARG 17 2HH2 ARG 17 8.639 5.216 -3.412
118 H PHE 18 H PHE 18 3.530 2.370 -0.724
119 HA PHE 18 HA PHE 18 1.413 2.790 -2.760
120 1HB PHE 18 1HB PHE 18 3.346 1.476 -3.424
121 2HB PHE 18 2HB PHE 18 3.203 0.429 -2.021
122 HD1 PHE 18 HD1 PHE 18 1.915 1.128 -5.395
123 HD2 PHE 18 HD2 PHE 18 1.403 -1.278 -1.849
124 HE1 PHE 18 HE1 PHE 18 0.464 -0.426 -6.654
125 HE2 PHE 18 HE2 PHE 18 -0.071 -2.819 -3.110
126 HZ PHE 18 HZ PHE 18 -0.547 -2.410 -5.502
127 H TYR 19 H TYR 19 2.017 1.124 0.295
128 HA TYR 19 HA TYR 19 -0.405 -0.403 0.340
129 1HB TYR 19 1HB TYR 19 1.786 -0.657 1.734
130 2HB TYR 19 2HB TYR 19 1.053 0.483 2.840
131 HD1 TYR 19 HD1 TYR 19 -0.822 -0.177 4.258
132 HD2 TYR 19 HD2 TYR 19 0.672 -2.851 1.222
133 HE1 TYR 19 HE1 TYR 19 -2.323 -1.967 5.088
134 HE2 TYR 19 HE2 TYR 19 -0.798 -4.637 2.050
135 HH TYR 19 HH TYR 19 -3.455 -4.049 3.898
136 H ASN 20 H ASN 20 0.451 2.744 1.630
137 HA ASN 20 HA ASN 20 -1.884 3.254 3.112
138 1HB ASN 20 1HB ASN 20 0.432 4.770 2.298
139 2HB ASN 20 2HB ASN 20 -0.966 5.728 1.838
140 1HD2 ASN 20 2HD2 ASN 20 1.140 5.495 4.266
141 2HD2 ASN 20 1HD2 ASN 20 0.125 5.794 5.644
142 H ASP 21 H ASP 21 -1.289 3.705 -0.382
143 HA ASP 21 HA ASP 21 -3.740 5.133 -0.890
144 1HB ASP 21 1HB ASP 21 -1.631 3.752 -2.529
145 2HB ASP 21 2HB ASP 21 -3.218 3.889 -3.261
146 H LEU 22 H LEU 22 -2.898 1.675 -0.861
147 HA LEU 22 HA LEU 22 -5.441 0.771 -1.794
148 1HB LEU 22 1HB LEU 22 -3.094 -0.482 -0.400
149 2HB LEU 22 2HB LEU 22 -4.642 -1.314 -0.285
150 HG LEU 22 HG LEU 22 -4.861 -1.386 -2.715
151 1HD1 LEU 22 1HD1 LEU 22 -2.968 -0.838 -4.198
152 2HD1 LEU 22 2HD1 LEU 22 -2.061 -0.173 -2.825
153 3HD1 LEU 22 3HD1 LEU 22 -3.551 0.616 -3.379
154 1HD2 LEU 22 1HD2 LEU 22 -3.120 -3.058 -3.096
155 2HD2 LEU 22 2HD2 LEU 22 -3.741 -3.189 -1.437
156 3HD2 LEU 22 3HD2 LEU 22 -2.166 -2.423 -1.731
157 H GLN 23 H GLN 23 -4.580 2.167 1.288
158 HA GLN 23 HA GLN 23 -6.591 0.877 2.891
159 1HB GLN 23 1HB GLN 23 -5.524 3.718 3.113
160 2HB GLN 23 2HB GLN 23 -6.450 2.889 4.330
161 1HG GLN 23 1HG GLN 23 -3.766 1.795 3.409
162 2HG GLN 23 2HG GLN 23 -3.916 3.013 4.673
163 1HE2 GLN 23 2HE2 GLN 23 -4.102 -0.396 4.039
164 2HE2 GLN 23 1HE2 GLN 23 -4.729 -0.835 5.618
165 H GLN 24 H GLN 24 -6.697 3.460 0.447
166 HA GLN 24 HA GLN 24 -9.133 4.669 1.132
167 1HB GLN 24 1HB GLN 24 -7.370 5.366 -0.605
168 2HB GLN 24 2HB GLN 24 -8.056 4.143 -1.671
169 1HG GLN 24 1HG GLN 24 -8.949 6.288 -2.279
170 2HG GLN 24 2HG GLN 24 -10.264 5.359 -1.569
171 1HE2 GLN 24 2HE2 GLN 24 -11.187 6.106 0.467
172 2HE2 GLN 24 1HE2 GLN 24 -10.604 7.598 1.216
173 H TYR 25 H TYR 25 -8.420 1.652 -0.596
174 HA TYR 25 HA TYR 25 -11.076 1.108 -1.621
175 1HB TYR 25 1HB TYR 25 -9.113 -0.091 -2.496
176 2HB TYR 25 2HB TYR 25 -8.758 -0.746 -0.906
177 HD1 TYR 25 HD1 TYR 25 -10.743 -1.205 -3.931
178 HD2 TYR 25 HD2 TYR 25 -10.284 -2.448 0.184
179 HE1 TYR 25 HE1 TYR 25 -12.160 -3.201 -4.343
180 HE2 TYR 25 HE2 TYR 25 -11.747 -4.363 -0.221
181 HH TYR 25 HH TYR 25 -13.155 -5.449 -1.760
182 H LEU 26 H LEU 26 -9.358 -0.268 1.365
183 HA LEU 26 HA LEU 26 -11.679 -1.303 2.201
184 1HB LEU 26 1HB LEU 26 -10.310 -2.165 3.764
185 2HB LEU 26 2HB LEU 26 -9.066 -1.436 2.849
186 HG LEU 26 HG LEU 26 -9.272 0.617 4.470
187 1HD1 LEU 26 1HD1 LEU 26 -9.898 -0.045 6.790
188 2HD1 LEU 26 2HD1 LEU 26 -10.550 -1.576 6.162
189 3HD1 LEU 26 3HD1 LEU 26 -11.302 -0.033 5.737
190 1HD2 LEU 26 1HD2 LEU 26 -7.660 -0.449 5.990
191 2HD2 LEU 26 2HD2 LEU 26 -7.342 -0.904 4.317
192 3HD2 LEU 26 3HD2 LEU 26 -8.146 -2.054 5.402
193 H ASN 27 H ASN 27 -10.567 1.934 2.836
194 HA ASN 27 HA ASN 27 -12.476 2.606 4.850
195 1HB ASN 27 1HB ASN 27 -10.225 3.698 3.949
196 2HB ASN 27 2HB ASN 27 -11.305 4.658 2.968
197 1HD2 ASN 27 2HD2 ASN 27 -9.514 5.543 5.037
198 2HD2 ASN 27 1HD2 ASN 27 -10.441 6.257 6.307
199 H VAL 28 H VAL 28 -12.957 2.171 1.501
200 HA VAL 28 HA VAL 28 -15.574 3.637 1.693
201 HB VAL 28 HB VAL 28 -13.713 3.730 -0.712
202 1HG1 VAL 28 1HG1 VAL 28 -15.256 5.496 -1.548
203 2HG1 VAL 28 2HG1 VAL 28 -16.090 3.958 -1.356
204 3HG1 VAL 28 3HG1 VAL 28 -16.314 5.231 -0.143
205 1HG2 VAL 28 1HG2 VAL 28 -13.435 6.154 -0.198
206 2HG2 VAL 28 2HG2 VAL 28 -14.325 5.926 1.320
207 3HG2 VAL 28 3HG2 VAL 28 -12.757 5.133 1.069
208 H VAL 29 H VAL 29 -13.795 1.047 -0.116
209 HA VAL 29 HA VAL 29 -16.151 0.225 -1.472
210 HB VAL 29 HB VAL 29 -13.481 -1.173 -1.142
211 1HG1 VAL 29 1HG1 VAL 29 -14.307 -2.386 -3.235
212 2HG1 VAL 29 2HG1 VAL 29 -15.218 -2.794 -1.781
213 3HG1 VAL 29 3HG1 VAL 29 -15.893 -1.664 -2.975
214 1HG2 VAL 29 1HG2 VAL 29 -14.619 0.666 -3.279
215 2HG2 VAL 29 2HG2 VAL 29 -13.208 0.963 -2.257
216 3HG2 VAL 29 3HG2 VAL 29 -13.154 -0.309 -3.481
217 H THR 30 H THR 30 -14.327 -1.496 1.030
218 HA THR 30 HA THR 30 -16.529 -3.152 1.667
219 HB THR 30 HB THR 30 -15.086 -3.348 3.873
220 HG1 THR 30 HG1 THR 30 -13.645 -1.639 3.513
221 1HG2 THR 30 1HG2 THR 30 -13.595 -4.977 2.759
222 2HG2 THR 30 2HG2 THR 30 -14.025 -4.294 1.180
223 3HG2 THR 30 3HG2 THR 30 -15.258 -5.134 2.153
224 H ARG 31 H ARG 31 -15.525 0.038 2.863
225 HA ARG 31 HA ARG 31 -17.288 0.034 5.068
226 1HB ARG 31 1HB ARG 31 -15.342 1.671 4.441
227 2HB ARG 31 2HB ARG 31 -16.615 2.602 3.623
228 1HG ARG 31 1HG ARG 31 -17.877 2.685 5.795
229 2HG ARG 31 2HG ARG 31 -16.621 1.708 6.547
230 1HD ARG 31 1HD ARG 31 -14.968 3.450 6.171
231 2HD ARG 31 2HD ARG 31 -16.146 4.406 5.248
232 HE ARG 31 HE ARG 31 -17.504 4.268 7.478
233 1HH1 ARG 31 1HH1 ARG 31 -14.012 4.932 7.079
234 2HH1 ARG 31 2HH1 ARG 31 -13.866 5.669 8.627
235 1HH2 ARG 31 1HH2 ARG 31 -17.380 5.543 9.275
236 2HH2 ARG 31 2HH2 ARG 31 -15.931 6.332 9.787
237 H HIS 32 H HIS 32 -18.231 -0.101 1.895
238 HA HIS 32 HA HIS 32 -20.973 0.626 2.638
239 1HB HIS 32 1HB HIS 32 -19.305 1.969 0.604
240 2HB HIS 32 2HB HIS 32 -20.774 1.295 -0.054
241 HD1 HIS 32 HD1 HIS 32 -23.124 2.228 1.022
242 HD2 HIS 32 HD2 HIS 32 -19.543 4.060 2.239
243 HE1 HIS 32 HE1 HIS 32 -23.801 4.316 2.312
244 H ARG 33 H ARG 33 -19.032 -1.823 1.875
245 HA ARG 33 HA ARG 33 -21.270 -3.375 0.907
246 1HB ARG 33 1HB ARG 33 -19.901 -2.200 -1.130
247 2HB ARG 33 2HB ARG 33 -18.918 -3.647 -0.937
248 1HG ARG 33 1HG ARG 33 -21.207 -4.944 -0.995
249 2HG ARG 33 2HG ARG 33 -21.898 -3.385 -1.511
250 1HD ARG 33 1HD ARG 33 -20.285 -3.351 -3.409
251 2HD ARG 33 2HD ARG 33 -19.696 -4.950 -2.899
252 HE ARG 33 HE ARG 33 -22.487 -5.052 -3.133
253 1HH1 ARG 33 1HH1 ARG 33 -19.649 -4.646 -5.270
254 2HH1 ARG 33 2HH1 ARG 33 -20.555 -4.883 -6.726
255 1HH2 ARG 33 1HH2 ARG 33 -23.587 -5.685 -4.997
256 2HH2 ARG 33 2HH2 ARG 33 -22.826 -5.662 -6.561
257 H TYR 34 H TYR 34 -19.121 -3.415 3.064
258 HA TYR 34 HA TYR 34 -17.630 -5.837 2.734
259 1HB TYR 34 1HB TYR 34 -17.157 -4.169 4.516
260 2HB TYR 34 2HB TYR 34 -18.673 -4.578 5.311
261 HD1 TYR 34 HD1 TYR 34 -18.918 -6.840 6.405
262 HD2 TYR 34 HD2 TYR 34 -15.191 -5.577 4.614
263 HE1 TYR 34 HE1 TYR 34 -17.707 -8.624 7.643
264 HE2 TYR 34 HE2 TYR 34 -13.986 -7.303 5.879
265 HH TYR 34 HH TYR 34 -15.624 -9.511 8.175
266 1HN NH2 35 1H NH2 35 -20.987 -5.158 3.724
267 2HN NH2 35 2H NH2 35 -21.503 -6.808 3.709
268 3HM EAB 10 3HM AZT 10 15.041 -3.688 2.689
269 2HM EAB 10 2HM AZT 10 14.979 -2.926 4.267
270 HL EAB 10 HL AZT 10 11.690 -3.190 4.333
271 HK2 EAB 10 HK2 AZT 10 10.397 -5.080 5.259
272 HJ2 EAB 10 HJ2 AZT 10 11.345 -7.363 5.312
273 HG1 EAB 10 HG1 AZT 10 12.233 -11.313 4.886
274 HG2 EAB 10 HG2 AZT 10 15.723 -13.768 4.188
275 HD2 EAB 10 HD2 AZT 10 17.133 -11.737 4.127
276 HE EAB 10 HE AZT 10 16.106 -9.493 4.345
277 2HA EAB 10 2HA AZT 10 12.770 -14.119 5.621
278 3HA EAB 10 3HA AZT 10 13.596 -14.759 4.190
279 1HN EAB 10 H AZT 10 11.871 -13.198 2.956
280 HJ1 EAB 10 HJ1 AZT 10 15.016 -5.889 3.619
Start of MODEL 6
1 1H GLY 1 H GLY 1 -1.610 -12.098 6.996
2 1HA GLY 1 1HA GLY 1 -2.239 -14.491 8.619
3 2HA GLY 1 2HA GLY 1 -2.253 -14.502 6.866
4 HA PRO 2 HA PRO 2 2.074 -15.490 8.382
5 1HB PRO 2 1HB PRO 2 2.422 -17.892 7.072
6 2HB PRO 2 2HB PRO 2 1.721 -17.711 8.709
7 1HG PRO 2 1HG PRO 2 0.279 -18.005 6.077
8 2HG PRO 2 2HG PRO 2 -0.077 -18.832 7.624
9 1HD PRO 2 1HD PRO 2 -1.474 -16.656 6.757
10 2HD PRO 2 2HD PRO 2 -1.144 -16.936 8.493
11 H SER 3 H SER 3 0.474 -14.953 5.320
12 HA SER 3 HA SER 3 2.784 -15.050 3.606
13 1HB SER 3 1HB SER 3 0.341 -15.123 2.932
14 2HB SER 3 2HB SER 3 0.253 -13.392 3.299
15 HG SER 3 HG SER 3 1.469 -12.948 1.570
16 H GLN 4 H GLN 4 4.080 -13.225 3.004
17 HA GLN 4 HA GLN 4 5.249 -11.373 3.187
18 1HB GLN 4 1HB GLN 4 3.150 -10.193 2.703
19 2HB GLN 4 2HB GLN 4 2.852 -10.019 4.439
20 1HG GLN 4 1HG GLN 4 3.841 -7.975 3.650
21 2HG GLN 4 2HG GLN 4 5.023 -8.794 4.644
22 1HE2 GLN 4 2HE2 GLN 4 4.142 -8.056 1.280
23 2HE2 GLN 4 1HE2 GLN 4 5.753 -8.221 0.630
24 HA PRO 5 HA PRO 5 6.428 -12.396 7.516
25 1HB PRO 5 1HB PRO 5 9.007 -13.129 7.041
26 2HB PRO 5 2HB PRO 5 7.634 -14.174 6.581
27 1HG PRO 5 1HG PRO 5 9.157 -12.189 4.866
28 2HG PRO 5 2HG PRO 5 8.843 -13.914 4.515
29 1HD PRO 5 1HD PRO 5 7.275 -11.879 3.558
30 2HD PRO 5 2HD PRO 5 6.588 -13.475 3.985
31 H THR 6 H THR 6 8.796 -11.635 8.585
32 HA THR 6 HA THR 6 8.639 -8.720 8.586
33 HB THR 6 HB THR 6 10.528 -8.904 10.190
34 HG1 THR 6 HG1 THR 6 10.278 -11.723 9.894
35 1HG2 THR 6 1HG2 THR 6 8.362 -10.899 10.916
36 2HG2 THR 6 2HG2 THR 6 8.178 -9.127 10.997
37 3HG2 THR 6 3HG2 THR 6 9.382 -9.948 12.009
38 H TYR 7 H TYR 7 10.702 -7.396 8.218
39 HA TYR 7 HA TYR 7 12.680 -8.495 6.409
40 1HB TYR 7 1HB TYR 7 10.811 -8.059 4.841
41 2HB TYR 7 2HB TYR 7 10.762 -6.388 5.348
42 HD1 TYR 7 HD1 TYR 7 12.173 -4.753 4.252
43 HD2 TYR 7 HD2 TYR 7 12.983 -8.971 3.807
44 HE1 TYR 7 HE1 TYR 7 13.812 -4.257 2.467
45 HE2 TYR 7 HE2 TYR 7 14.644 -8.469 2.054
46 HH TYR 7 HH TYR 7 14.940 -5.320 0.570
47 HA PRO 8 HA PRO 8 13.794 -4.799 9.107
48 1HB PRO 8 1HB PRO 8 15.355 -5.943 10.999
49 2HB PRO 8 2HB PRO 8 13.566 -6.034 11.112
50 1HG PRO 8 1HG PRO 8 15.477 -8.128 10.021
51 2HG PRO 8 2HG PRO 8 14.143 -8.347 11.199
52 1HD PRO 8 1HD PRO 8 13.843 -8.841 8.507
53 2HD PRO 8 2HD PRO 8 12.521 -8.256 9.556
54 H GLY 9 H GLY 9 16.064 -3.869 9.210
55 1HA GLY 9 1HA GLY 9 18.352 -5.298 8.281
56 2HA GLY 9 2HA GLY 9 17.580 -4.440 6.936
57 HA PRO 11 HA PRO 11 12.519 5.355 -2.056
58 1HB PRO 11 1HB PRO 11 11.112 3.581 -3.550
59 2HB PRO 11 2HB PRO 11 12.885 3.699 -3.726
60 1HG PRO 11 1HG PRO 11 11.351 1.707 -2.013
61 2HG PRO 11 2HG PRO 11 12.618 1.359 -3.241
62 1HD PRO 11 1HD PRO 11 13.259 1.545 -0.633
63 2HD PRO 11 2HD PRO 11 14.324 2.243 -1.890
64 H VAL 12 H VAL 12 11.938 4.925 0.615
65 HA VAL 12 HA VAL 12 9.630 3.771 1.532
66 HB VAL 12 HB VAL 12 11.033 6.279 2.555
67 1HG1 VAL 12 1HG1 VAL 12 8.911 5.845 3.745
68 2HG1 VAL 12 2HG1 VAL 12 9.430 4.163 4.041
69 3HG1 VAL 12 3HG1 VAL 12 10.320 5.512 4.773
70 1HG2 VAL 12 1HG2 VAL 12 12.317 4.710 4.015
71 2HG2 VAL 12 2HG2 VAL 12 11.603 3.340 3.147
72 3HG2 VAL 12 3HG2 VAL 12 12.691 4.479 2.328
73 H GLU 13 H GLU 13 9.992 7.241 0.498
74 HA GLU 13 HA GLU 13 7.313 7.884 0.978
75 1HB GLU 13 1HB GLU 13 9.196 9.047 -1.095
76 2HB GLU 13 2HB GLU 13 7.691 9.800 -0.543
77 1HG GLU 13 1HG GLU 13 8.586 9.925 1.758
78 2HG GLU 13 2HG GLU 13 10.104 9.208 1.233
79 H ASP 14 H ASP 14 8.503 6.010 -1.765
80 HA ASP 14 HA ASP 14 5.957 6.522 -3.239
81 1HB ASP 14 1HB ASP 14 7.970 6.384 -4.613
82 2HB ASP 14 2HB ASP 14 8.333 4.776 -3.967
83 H LEU 15 H LEU 15 7.750 3.918 -1.558
84 HA LEU 15 HA LEU 15 5.876 1.875 -1.929
85 1HB LEU 15 1HB LEU 15 8.258 1.659 -1.069
86 2HB LEU 15 2HB LEU 15 7.695 2.306 0.474
87 HG LEU 15 HG LEU 15 5.975 0.361 0.495
88 1HD1 LEU 15 1HD1 LEU 15 6.125 -0.305 -1.869
89 2HD1 LEU 15 2HD1 LEU 15 6.681 -1.636 -0.855
90 3HD1 LEU 15 3HD1 LEU 15 7.864 -0.622 -1.689
91 1HD2 LEU 15 1HD2 LEU 15 7.922 0.391 1.949
92 2HD2 LEU 15 2HD2 LEU 15 8.936 -0.282 0.634
93 3HD2 LEU 15 3HD2 LEU 15 7.628 -1.243 1.355
94 H ILE 16 H ILE 16 6.190 4.183 0.867
95 HA ILE 16 HA ILE 16 3.961 3.072 2.244
96 HB ILE 16 HB ILE 16 3.969 5.015 3.639
97 1HG1 ILE 16 1HG1 ILE 16 5.702 6.344 1.541
98 2HG1 ILE 16 2HG1 ILE 16 4.147 6.832 2.148
99 1HG2 ILE 16 1HG2 ILE 16 5.671 3.223 3.917
100 2HG2 ILE 16 2HG2 ILE 16 6.843 4.207 3.043
101 3HG2 ILE 16 3HG2 ILE 16 6.182 4.783 4.579
102 1HD1 ILE 16 1HD1 ILE 16 6.758 6.941 3.678
103 2HD1 ILE 16 2HD1 ILE 16 5.786 8.294 3.081
104 3HD1 ILE 16 3HD1 ILE 16 5.157 7.274 4.392
105 H ARG 17 H ARG 17 4.092 5.376 -0.477
106 HA ARG 17 HA ARG 17 1.338 6.214 -0.026
107 1HB ARG 17 1HB ARG 17 3.046 7.628 -1.202
108 2HB ARG 17 2HB ARG 17 3.180 6.396 -2.442
109 1HG ARG 17 1HG ARG 17 0.773 6.814 -3.080
110 2HG ARG 17 2HG ARG 17 0.717 8.070 -1.834
111 1HD ARG 17 1HD ARG 17 1.074 9.068 -4.001
112 2HD ARG 17 2HD ARG 17 2.505 9.315 -2.993
113 HE ARG 17 HE ARG 17 3.072 6.984 -4.342
114 1HH1 ARG 17 1HH1 ARG 17 1.898 10.032 -5.666
115 2HH1 ARG 17 2HH1 ARG 17 3.056 10.119 -6.936
116 1HH2 ARG 17 1HH2 ARG 17 4.665 7.048 -6.010
117 2HH2 ARG 17 2HH2 ARG 17 4.635 8.368 -7.136
118 H PHE 18 H PHE 18 2.855 3.753 -1.800
119 HA PHE 18 HA PHE 18 0.447 2.898 -3.204
120 1HB PHE 18 1HB PHE 18 2.660 2.309 -4.076
121 2HB PHE 18 2HB PHE 18 3.063 1.443 -2.605
122 HD1 PHE 18 HD1 PHE 18 0.494 1.428 -5.375
123 HD2 PHE 18 HD2 PHE 18 2.786 -0.901 -2.554
124 HE1 PHE 18 HE1 PHE 18 -0.392 -0.652 -6.371
125 HE2 PHE 18 HE2 PHE 18 1.893 -2.979 -3.560
126 HZ PHE 18 HZ PHE 18 0.294 -2.871 -5.453
127 H TYR 19 H TYR 19 2.071 2.000 -0.198
128 HA TYR 19 HA TYR 19 0.244 -0.120 0.418
129 1HB TYR 19 1HB TYR 19 2.722 0.556 1.317
130 2HB TYR 19 2HB TYR 19 1.753 1.130 2.660
131 HD1 TYR 19 HD1 TYR 19 0.689 -0.500 4.156
132 HD2 TYR 19 HD2 TYR 19 2.491 -1.789 0.458
133 HE1 TYR 19 HE1 TYR 19 0.516 -2.832 4.908
134 HE2 TYR 19 HE2 TYR 19 2.294 -4.132 1.161
135 HH TYR 19 HH TYR 19 1.326 -4.984 4.478
136 H ASN 20 H ASN 20 0.371 3.319 1.379
137 HA ASN 20 HA ASN 20 -1.785 3.107 3.293
138 1HB ASN 20 1HB ASN 20 -0.390 5.418 1.919
139 2HB ASN 20 2HB ASN 20 -1.927 5.677 2.692
140 1HD2 ASN 20 2HD2 ASN 20 1.319 4.303 3.402
141 2HD2 ASN 20 1HD2 ASN 20 1.254 4.628 5.124
142 H ASP 21 H ASP 21 -1.597 3.775 -0.246
143 HA ASP 21 HA ASP 21 -4.310 4.457 -0.586
144 1HB ASP 21 1HB ASP 21 -2.634 4.862 -2.289
145 2HB ASP 21 2HB ASP 21 -2.377 3.127 -2.492
146 H LEU 22 H LEU 22 -2.723 1.279 -0.362
147 HA LEU 22 HA LEU 22 -4.977 -0.307 -1.178
148 1HB LEU 22 1HB LEU 22 -2.735 -0.927 0.782
149 2HB LEU 22 2HB LEU 22 -3.950 -2.098 0.331
150 HG LEU 22 HG LEU 22 -2.149 -0.841 -1.752
151 1HD1 LEU 22 1HD1 LEU 22 -0.719 -2.816 -1.538
152 2HD1 LEU 22 2HD1 LEU 22 -1.743 -3.449 -0.226
153 3HD1 LEU 22 3HD1 LEU 22 -0.782 -1.983 0.017
154 1HD2 LEU 22 1HD2 LEU 22 -2.710 -2.968 -2.951
155 2HD2 LEU 22 2HD2 LEU 22 -4.142 -1.979 -2.631
156 3HD2 LEU 22 3HD2 LEU 22 -3.810 -3.407 -1.634
157 H GLN 23 H GLN 23 -4.201 1.374 1.865
158 HA GLN 23 HA GLN 23 -6.179 -0.039 3.477
159 1HB GLN 23 1HB GLN 23 -4.999 2.708 4.000
160 2HB GLN 23 2HB GLN 23 -5.865 1.683 5.131
161 1HG GLN 23 1HG GLN 23 -4.056 0.003 5.012
162 2HG GLN 23 2HG GLN 23 -3.142 1.065 3.924
163 1HE2 GLN 23 2HE2 GLN 23 -2.368 0.097 6.630
164 2HE2 GLN 23 1HE2 GLN 23 -2.278 1.505 7.656
165 H GLN 24 H GLN 24 -6.042 2.953 1.530
166 HA GLN 24 HA GLN 24 -8.547 4.039 2.288
167 1HB GLN 24 1HB GLN 24 -7.330 4.208 -0.502
168 2HB GLN 24 2HB GLN 24 -8.540 5.272 0.213
169 1HG GLN 24 1HG GLN 24 -6.850 5.901 1.959
170 2HG GLN 24 2HG GLN 24 -5.633 5.010 1.046
171 1HE2 GLN 24 2HE2 GLN 24 -5.931 5.711 -1.656
172 2HE2 GLN 24 1HE2 GLN 24 -5.996 7.444 -1.808
173 H TYR 25 H TYR 25 -7.702 1.599 -0.180
174 HA TYR 25 HA TYR 25 -10.213 1.382 -1.418
175 1HB TYR 25 1HB TYR 25 -7.926 0.270 -1.981
176 2HB TYR 25 2HB TYR 25 -8.455 -1.040 -0.941
177 HD1 TYR 25 HD1 TYR 25 -9.196 0.932 -3.986
178 HD2 TYR 25 HD2 TYR 25 -10.241 -2.598 -1.735
179 HE1 TYR 25 HE1 TYR 25 -10.586 0.152 -5.880
180 HE2 TYR 25 HE2 TYR 25 -11.611 -3.392 -3.640
181 HH TYR 25 HH TYR 25 -12.129 -1.418 -6.611
182 H LEU 26 H LEU 26 -9.042 -0.912 1.210
183 HA LEU 26 HA LEU 26 -11.554 -1.886 1.658
184 1HB LEU 26 1HB LEU 26 -10.363 -3.247 2.953
185 2HB LEU 26 2HB LEU 26 -8.985 -2.489 2.279
186 HG LEU 26 HG LEU 26 -9.423 -0.857 4.490
187 1HD1 LEU 26 1HD1 LEU 26 -11.212 -2.588 5.245
188 2HD1 LEU 26 2HD1 LEU 26 -9.919 -2.187 6.389
189 3HD1 LEU 26 3HD1 LEU 26 -9.868 -3.701 5.466
190 1HD2 LEU 26 1HD2 LEU 26 -7.748 -3.392 4.448
191 2HD2 LEU 26 2HD2 LEU 26 -7.523 -1.973 5.498
192 3HD2 LEU 26 3HD2 LEU 26 -7.285 -1.839 3.747
193 H ASN 27 H ASN 27 -10.617 1.265 2.499
194 HA ASN 27 HA ASN 27 -12.487 1.415 4.818
195 1HB ASN 27 1HB ASN 27 -10.033 2.284 4.733
196 2HB ASN 27 2HB ASN 27 -10.697 3.632 3.828
197 1HD2 ASN 27 2HD2 ASN 27 -9.586 4.538 5.902
198 2HD2 ASN 27 1HD2 ASN 27 -10.547 4.658 7.370
199 H VAL 28 H VAL 28 -12.366 2.019 1.526
200 HA VAL 28 HA VAL 28 -14.698 3.924 1.679
201 HB VAL 28 HB VAL 28 -12.509 3.727 -0.425
202 1HG1 VAL 28 1HG1 VAL 28 -13.446 5.761 -1.372
203 2HG1 VAL 28 2HG1 VAL 28 -14.684 4.505 -1.366
204 3HG1 VAL 28 3HG1 VAL 28 -14.740 5.786 -0.145
205 1HG2 VAL 28 1HG2 VAL 28 -11.717 4.810 1.732
206 2HG2 VAL 28 2HG2 VAL 28 -11.738 5.904 0.356
207 3HG2 VAL 28 3HG2 VAL 28 -13.023 5.982 1.567
208 H VAL 29 H VAL 29 -13.356 1.046 -0.001
209 HA VAL 29 HA VAL 29 -15.412 0.757 -1.824
210 HB VAL 29 HB VAL 29 -13.038 -0.372 -1.546
211 1HG1 VAL 29 1HG1 VAL 29 -13.525 -1.944 0.262
212 2HG1 VAL 29 2HG1 VAL 29 -14.703 -2.759 -0.819
213 3HG1 VAL 29 3HG1 VAL 29 -12.989 -2.703 -1.233
214 1HG2 VAL 29 1HG2 VAL 29 -13.741 -1.907 -3.399
215 2HG2 VAL 29 2HG2 VAL 29 -15.430 -1.518 -3.020
216 3HG2 VAL 29 3HG2 VAL 29 -14.321 -0.249 -3.595
217 H THR 30 H THR 30 -15.064 -1.296 1.031
218 HA THR 30 HA THR 30 -17.751 -2.147 0.993
219 HB THR 30 HB THR 30 -17.044 -2.914 3.375
220 HG1 THR 30 HG1 THR 30 -15.187 -1.578 3.583
221 1HG2 THR 30 1HG2 THR 30 -17.101 -4.508 1.512
222 2HG2 THR 30 2HG2 THR 30 -15.644 -4.760 2.460
223 3HG2 THR 30 3HG2 THR 30 -15.548 -3.914 0.910
224 H ARG 31 H ARG 31 -16.299 0.641 2.619
225 HA ARG 31 HA ARG 31 -18.300 1.041 4.538
226 1HB ARG 31 1HB ARG 31 -16.066 2.183 4.421
227 2HB ARG 31 2HB ARG 31 -16.672 3.172 3.086
228 1HG ARG 31 1HG ARG 31 -18.328 4.201 4.597
229 2HG ARG 31 2HG ARG 31 -17.866 3.085 5.884
230 1HD ARG 31 1HD ARG 31 -16.932 5.370 6.186
231 2HD ARG 31 2HD ARG 31 -15.717 4.092 6.136
232 HE ARG 31 HE ARG 31 -14.758 5.015 4.366
233 1HH1 ARG 31 1HH1 ARG 31 -18.133 6.170 4.233
234 2HH1 ARG 31 2HH1 ARG 31 -17.863 7.202 2.878
235 1HH2 ARG 31 1HH2 ARG 31 -14.361 6.723 2.890
236 2HH2 ARG 31 2HH2 ARG 31 -15.657 7.454 1.998
237 H HIS 32 H HIS 32 -18.517 1.544 1.255
238 HA HIS 32 HA HIS 32 -20.927 3.257 1.400
239 1HB HIS 32 1HB HIS 32 -18.758 2.828 -0.392
240 2HB HIS 32 2HB HIS 32 -20.180 2.384 -1.298
241 HD1 HIS 32 HD1 HIS 32 -21.244 4.505 -2.437
242 HD2 HIS 32 HD2 HIS 32 -18.943 5.285 1.007
243 HE1 HIS 32 HE1 HIS 32 -20.948 7.044 -2.325
244 H ARG 33 H ARG 33 -21.265 0.765 2.661
245 HA ARG 33 HA ARG 33 -22.576 -1.118 2.750
246 1HB ARG 33 1HB ARG 33 -24.348 0.466 0.859
247 2HB ARG 33 2HB ARG 33 -24.833 -0.977 1.744
248 1HG ARG 33 1HG ARG 33 -24.556 0.166 3.871
249 2HG ARG 33 2HG ARG 33 -23.949 1.624 3.056
250 1HD ARG 33 1HD ARG 33 -26.163 1.766 1.838
251 2HD ARG 33 2HD ARG 33 -26.753 0.445 2.851
252 HE ARG 33 HE ARG 33 -26.251 3.244 3.567
253 1HH1 ARG 33 1HH1 ARG 33 -27.270 0.075 4.799
254 2HH1 ARG 33 2HH1 ARG 33 -27.558 0.644 6.413
255 1HH2 ARG 33 1HH2 ARG 33 -26.327 3.904 5.762
256 2HH2 ARG 33 2HH2 ARG 33 -26.935 2.862 6.996
257 H TYR 34 H TYR 34 -20.406 -1.631 1.374
258 HA TYR 34 HA TYR 34 -21.345 -3.252 -0.899
259 1HB TYR 34 1HB TYR 34 -20.035 -0.771 -1.265
260 2HB TYR 34 2HB TYR 34 -18.776 -1.963 -1.478
261 HD1 TYR 34 HD1 TYR 34 -18.745 -3.402 -3.414
262 HD2 TYR 34 HD2 TYR 34 -22.177 -0.920 -2.611
263 HE1 TYR 34 HE1 TYR 34 -19.498 -3.737 -5.730
264 HE2 TYR 34 HE2 TYR 34 -22.970 -1.267 -4.938
265 HH TYR 34 HH TYR 34 -22.439 -2.119 -7.040
266 1HN NH2 35 1H NH2 35 -20.581 -3.778 1.856
267 2HN NH2 35 2H NH2 35 -19.356 -5.015 1.604
268 3HM EAB 10 3HM AZT 10 15.656 3.039 -0.373
269 2HM EAB 10 2HM AZT 10 15.954 4.453 0.607
270 HL EAB 10 HL AZT 10 13.042 2.159 1.423
271 HK2 EAB 10 HK2 AZT 10 13.041 0.741 3.407
272 HJ2 EAB 10 HJ2 AZT 10 15.107 0.416 4.741
273 HG1 EAB 10 HG1 AZT 10 18.184 -0.718 6.980
274 HG2 EAB 10 HG2 AZT 10 22.503 -0.602 6.818
275 HD2 EAB 10 HD2 AZT 10 22.379 1.012 4.946
276 HE EAB 10 HE AZT 10 20.179 1.723 4.050
277 2HA EAB 10 2HA AZT 10 20.112 -1.246 9.098
278 3HA EAB 10 3HA AZT 10 21.466 -2.083 8.305
279 1HN EAB 10 H AZT 10 19.996 -3.625 7.320
280 HJ1 EAB 10 HJ1 AZT 10 17.107 3.301 2.256
Start of MODEL 7
1 1H GLY 1 H GLY 1 -2.105 -14.972 -19.981
2 1HA GLY 1 1HA GLY 1 -3.158 -14.595 -17.813
3 2HA GLY 1 2HA GLY 1 -3.042 -16.348 -17.530
4 HA PRO 2 HA PRO 2 1.213 -14.024 -17.057
5 1HB PRO 2 1HB PRO 2 1.113 -12.560 -14.725
6 2HB PRO 2 2HB PRO 2 0.717 -11.888 -16.340
7 1HG PRO 2 1HG PRO 2 -1.200 -13.048 -14.288
8 2HG PRO 2 2HG PRO 2 -1.310 -11.452 -15.099
9 1HD PRO 2 1HD PRO 2 -2.693 -13.578 -15.992
10 2HD PRO 2 2HD PRO 2 -1.893 -12.491 -17.176
11 H SER 3 H SER 3 2.824 -14.582 -15.422
12 HA SER 3 HA SER 3 2.249 -16.272 -13.183
13 1HB SER 3 1HB SER 3 3.406 -17.454 -15.756
14 2HB SER 3 2HB SER 3 3.460 -18.264 -14.191
15 HG SER 3 HG SER 3 0.974 -17.314 -14.965
16 H GLN 4 H GLN 4 4.439 -17.015 -12.296
17 HA GLN 4 HA GLN 4 6.422 -16.627 -11.483
18 1HB GLN 4 1HB GLN 4 7.238 -15.541 -14.214
19 2HB GLN 4 2HB GLN 4 8.287 -16.198 -12.966
20 1HG GLN 4 1HG GLN 4 6.791 -18.324 -13.144
21 2HG GLN 4 2HG GLN 4 6.334 -17.680 -14.724
22 1HE2 GLN 4 2HE2 GLN 4 7.709 -20.170 -14.099
23 2HE2 GLN 4 1HE2 GLN 4 9.304 -20.100 -14.826
24 HA PRO 5 HA PRO 5 6.374 -12.559 -9.900
25 1HB PRO 5 1HB PRO 5 8.756 -12.158 -8.688
26 2HB PRO 5 2HB PRO 5 7.677 -13.499 -8.185
27 1HG PRO 5 1HG PRO 5 10.047 -13.609 -10.072
28 2HG PRO 5 2HG PRO 5 9.687 -14.691 -8.695
29 1HD PRO 5 1HD PRO 5 9.050 -15.253 -11.310
30 2HD PRO 5 2HD PRO 5 8.096 -15.892 -9.933
31 H THR 6 H THR 6 7.472 -10.355 -9.908
32 HA THR 6 HA THR 6 8.942 -9.872 -12.442
33 HB THR 6 HB THR 6 6.386 -9.274 -12.253
34 HG1 THR 6 HG1 THR 6 8.233 -7.418 -13.341
35 1HG2 THR 6 1HG2 THR 6 6.491 -7.867 -10.241
36 2HG2 THR 6 2HG2 THR 6 5.945 -6.955 -11.667
37 3HG2 THR 6 3HG2 THR 6 7.598 -6.739 -11.071
38 H TYR 7 H TYR 7 8.704 -9.375 -9.050
39 HA TYR 7 HA TYR 7 11.245 -7.854 -9.104
40 1HB TYR 7 1HB TYR 7 8.847 -6.582 -8.763
41 2HB TYR 7 2HB TYR 7 9.192 -6.958 -7.102
42 HD1 TYR 7 HD1 TYR 7 11.558 -6.226 -6.187
43 HD2 TYR 7 HD2 TYR 7 9.893 -4.858 -9.934
44 HE1 TYR 7 HE1 TYR 7 13.094 -4.293 -6.171
45 HE2 TYR 7 HE2 TYR 7 11.425 -2.960 -9.947
46 HH TYR 7 HH TYR 7 13.027 -1.780 -8.738
47 HA PRO 8 HA PRO 8 11.020 -11.282 -5.920
48 1HB PRO 8 1HB PRO 8 12.779 -13.103 -6.834
49 2HB PRO 8 2HB PRO 8 11.128 -13.006 -7.491
50 1HG PRO 8 1HG PRO 8 13.646 -11.766 -8.654
51 2HG PRO 8 2HG PRO 8 12.433 -12.779 -9.497
52 1HD PRO 8 1HD PRO 8 12.359 -10.033 -9.558
53 2HD PRO 8 2HD PRO 8 10.879 -11.037 -9.582
54 H GLY 9 H GLY 9 12.745 -11.628 -4.227
55 1HA GLY 9 1HA GLY 9 15.397 -10.809 -4.483
56 2HA GLY 9 2HA GLY 9 14.474 -9.367 -4.023
57 HA PRO 11 HA PRO 11 13.005 2.239 -2.956
58 1HB PRO 11 1HB PRO 11 11.045 1.079 -4.424
59 2HB PRO 11 2HB PRO 11 12.779 0.848 -4.820
60 1HG PRO 11 1HG PRO 11 10.999 -1.024 -3.220
61 2HG PRO 11 2HG PRO 11 12.037 -1.408 -4.637
62 1HD PRO 11 1HD PRO 11 12.901 -1.755 -2.071
63 2HD PRO 11 2HD PRO 11 14.006 -1.233 -3.376
64 H VAL 12 H VAL 12 12.619 2.282 -0.394
65 HA VAL 12 HA VAL 12 10.379 1.485 0.932
66 HB VAL 12 HB VAL 12 10.982 3.741 2.148
67 1HG1 VAL 12 1HG1 VAL 12 12.684 2.625 3.434
68 2HG1 VAL 12 2HG1 VAL 12 11.402 1.485 3.009
69 3HG1 VAL 12 3HG1 VAL 12 12.939 1.452 2.129
70 1HG2 VAL 12 1HG2 VAL 12 13.193 4.599 1.891
71 2HG2 VAL 12 2HG2 VAL 12 13.539 3.514 0.553
72 3HG2 VAL 12 3HG2 VAL 12 12.317 4.784 0.376
73 H GLU 13 H GLU 13 10.748 4.470 -1.078
74 HA GLU 13 HA GLU 13 8.272 5.603 -0.230
75 1HB GLU 13 1HB GLU 13 9.880 6.087 -2.756
76 2HB GLU 13 2HB GLU 13 8.539 7.089 -2.182
77 1HG GLU 13 1HG GLU 13 9.716 7.663 -0.136
78 2HG GLU 13 2HG GLU 13 11.066 6.596 -0.551
79 H ASP 14 H ASP 14 9.032 3.253 -2.790
80 HA ASP 14 HA ASP 14 6.359 3.506 -4.004
81 1HB ASP 14 1HB ASP 14 8.656 1.579 -4.480
82 2HB ASP 14 2HB ASP 14 7.100 1.489 -5.306
83 H LEU 15 H LEU 15 8.049 1.512 -1.668
84 HA LEU 15 HA LEU 15 6.101 -0.573 -1.449
85 1HB LEU 15 1HB LEU 15 8.445 -0.747 -0.678
86 2HB LEU 15 2HB LEU 15 8.146 0.487 0.538
87 HG LEU 15 HG LEU 15 6.490 -1.010 1.654
88 1HD1 LEU 15 1HD1 LEU 15 6.456 -3.416 1.082
89 2HD1 LEU 15 2HD1 LEU 15 7.489 -3.107 -0.328
90 3HD1 LEU 15 3HD1 LEU 15 5.854 -2.457 -0.273
91 1HD2 LEU 15 1HD2 LEU 15 8.867 -0.912 2.345
92 2HD2 LEU 15 2HD2 LEU 15 9.250 -2.232 1.230
93 3HD2 LEU 15 3HD2 LEU 15 8.164 -2.513 2.608
94 H ILE 16 H ILE 16 6.644 2.430 0.498
95 HA ILE 16 HA ILE 16 4.327 1.992 2.136
96 HB ILE 16 HB ILE 16 4.592 4.281 2.902
97 1HG1 ILE 16 1HG1 ILE 16 6.572 4.562 0.639
98 2HG1 ILE 16 2HG1 ILE 16 5.128 5.507 0.927
99 1HG2 ILE 16 1HG2 ILE 16 7.252 2.842 2.709
100 2HG2 ILE 16 2HG2 ILE 16 6.742 3.980 3.977
101 3HG2 ILE 16 3HG2 ILE 16 5.935 2.418 3.820
102 1HD1 ILE 16 1HD1 ILE 16 7.649 5.599 2.593
103 2HD1 ILE 16 2HD1 ILE 16 7.075 6.823 1.444
104 3HD1 ILE 16 3HD1 ILE 16 6.151 6.507 2.919
105 H ARG 17 H ARG 17 4.747 3.952 -0.922
106 HA ARG 17 HA ARG 17 2.107 4.984 -0.654
107 1HB ARG 17 1HB ARG 17 3.960 4.670 -3.035
108 2HB ARG 17 2HB ARG 17 2.300 5.252 -3.249
109 1HG ARG 17 1HG ARG 17 2.675 7.041 -1.605
110 2HG ARG 17 2HG ARG 17 4.370 6.571 -1.445
111 1HD ARG 17 1HD ARG 17 3.309 7.120 -4.229
112 2HD ARG 17 2HD ARG 17 3.460 8.484 -3.132
113 HE ARG 17 HE ARG 17 5.722 8.396 -3.168
114 1HH1 ARG 17 1HH1 ARG 17 4.679 5.379 -4.780
115 2HH1 ARG 17 2HH1 ARG 17 6.242 5.132 -5.492
116 1HH2 ARG 17 1HH2 ARG 17 7.622 8.093 -4.173
117 2HH2 ARG 17 2HH2 ARG 17 7.852 6.787 -5.323
118 H PHE 18 H PHE 18 3.122 1.989 -1.885
119 HA PHE 18 HA PHE 18 0.545 1.402 -3.082
120 1HB PHE 18 1HB PHE 18 2.736 0.200 -3.594
121 2HB PHE 18 2HB PHE 18 2.481 -0.714 -2.116
122 HD1 PHE 18 HD1 PHE 18 1.645 -0.379 -5.626
123 HD2 PHE 18 HD2 PHE 18 0.287 -2.118 -1.921
124 HE1 PHE 18 HE1 PHE 18 0.088 -1.836 -6.881
125 HE2 PHE 18 HE2 PHE 18 -1.271 -3.579 -3.188
126 HZ PHE 18 HZ PHE 18 -1.381 -3.435 -5.663
127 H TYR 19 H TYR 19 1.919 0.896 0.140
128 HA TYR 19 HA TYR 19 -0.288 -0.633 1.181
129 1HB TYR 19 1HB TYR 19 2.195 -0.550 1.909
130 2HB TYR 19 2HB TYR 19 1.818 0.944 2.722
131 HD1 TYR 19 HD1 TYR 19 1.384 0.733 5.046
132 HD2 TYR 19 HD2 TYR 19 0.342 -2.506 2.398
133 HE1 TYR 19 HE1 TYR 19 0.698 -0.603 6.975
134 HE2 TYR 19 HE2 TYR 19 -0.302 -3.889 4.341
135 HH TYR 19 HH TYR 19 -0.500 -3.995 6.634
136 H ASN 20 H ASN 20 0.731 2.761 1.431
137 HA ASN 20 HA ASN 20 -1.341 3.547 3.283
138 1HB ASN 20 1HB ASN 20 0.609 5.064 1.530
139 2HB ASN 20 2HB ASN 20 -0.550 5.865 2.584
140 1HD2 ASN 20 2HD2 ASN 20 2.384 5.975 2.726
141 2HD2 ASN 20 1HD2 ASN 20 2.826 5.365 4.312
142 H ASP 21 H ASP 21 -0.990 3.840 -0.319
143 HA ASP 21 HA ASP 21 -3.355 5.382 -0.699
144 1HB ASP 21 1HB ASP 21 -1.869 3.488 -2.566
145 2HB ASP 21 2HB ASP 21 -3.319 4.340 -3.016
146 H LEU 22 H LEU 22 -2.806 1.961 -0.122
147 HA LEU 22 HA LEU 22 -5.298 0.918 -1.067
148 1HB LEU 22 1HB LEU 22 -3.110 -0.301 -0.509
149 2HB LEU 22 2HB LEU 22 -3.534 -0.098 1.187
150 HG LEU 22 HG LEU 22 -5.629 -1.446 0.761
151 1HD1 LEU 22 1HD1 LEU 22 -4.261 -1.840 -1.942
152 2HD1 LEU 22 2HD1 LEU 22 -5.888 -1.190 -1.651
153 3HD1 LEU 22 3HD1 LEU 22 -5.529 -2.892 -1.306
154 1HD2 LEU 22 1HD2 LEU 22 -4.450 -3.557 0.784
155 2HD2 LEU 22 2HD2 LEU 22 -3.568 -2.380 1.749
156 3HD2 LEU 22 3HD2 LEU 22 -2.966 -2.772 0.124
157 H GLN 23 H GLN 23 -4.456 2.656 1.849
158 HA GLN 23 HA GLN 23 -6.351 1.634 3.664
159 1HB GLN 23 1HB GLN 23 -5.255 4.470 3.445
160 2HB GLN 23 2HB GLN 23 -6.169 3.851 4.823
161 1HG GLN 23 1HG GLN 23 -4.547 2.060 5.174
162 2HG GLN 23 2HG GLN 23 -3.606 2.576 3.776
163 1HE2 GLN 23 2HE2 GLN 23 -2.222 2.210 5.874
164 2HE2 GLN 23 1HE2 GLN 23 -1.766 3.681 6.735
165 H GLN 24 H GLN 24 -6.879 4.428 1.490
166 HA GLN 24 HA GLN 24 -9.514 4.972 2.087
167 1HB GLN 24 1HB GLN 24 -7.951 6.241 0.609
168 2HB GLN 24 2HB GLN 24 -8.180 5.040 -0.655
169 1HG GLN 24 1HG GLN 24 -10.597 5.641 -0.761
170 2HG GLN 24 2HG GLN 24 -10.340 6.844 0.520
171 1HE2 GLN 24 2HE2 GLN 24 -9.376 8.829 -0.042
172 2HE2 GLN 24 1HE2 GLN 24 -8.910 9.277 -1.675
173 H TYR 25 H TYR 25 -8.265 2.434 -0.040
174 HA TYR 25 HA TYR 25 -10.655 1.635 -1.403
175 1HB TYR 25 1HB TYR 25 -8.071 0.844 -1.536
176 2HB TYR 25 2HB TYR 25 -8.679 -0.461 -0.528
177 HD1 TYR 25 HD1 TYR 25 -9.024 1.323 -3.746
178 HD2 TYR 25 HD2 TYR 25 -10.198 -2.178 -1.525
179 HE1 TYR 25 HE1 TYR 25 -9.889 0.332 -5.815
180 HE2 TYR 25 HE2 TYR 25 -11.045 -3.203 -3.611
181 HH TYR 25 HH TYR 25 -10.633 -1.681 -6.817
182 H LEU 26 H LEU 26 -9.327 0.025 1.657
183 HA LEU 26 HA LEU 26 -11.761 -1.204 1.980
184 1HB LEU 26 1HB LEU 26 -10.530 -2.308 3.495
185 2HB LEU 26 2HB LEU 26 -9.209 -1.471 2.818
186 HG LEU 26 HG LEU 26 -9.789 0.360 4.722
187 1HD1 LEU 26 1HD1 LEU 26 -10.404 -0.749 6.825
188 2HD1 LEU 26 2HD1 LEU 26 -10.668 -2.295 5.953
189 3HD1 LEU 26 3HD1 LEU 26 -11.728 -0.905 5.670
190 1HD2 LEU 26 1HD2 LEU 26 -7.659 -0.772 4.325
191 2HD2 LEU 26 2HD2 LEU 26 -8.249 -2.221 5.172
192 3HD2 LEU 26 3HD2 LEU 26 -8.049 -0.680 6.043
193 H ASN 27 H ASN 27 -10.837 2.024 2.898
194 HA ASN 27 HA ASN 27 -12.948 2.308 4.882
195 1HB ASN 27 1HB ASN 27 -10.647 3.612 4.391
196 2HB ASN 27 2HB ASN 27 -11.741 4.724 3.583
197 1HD2 ASN 27 2HD2 ASN 27 -10.192 5.123 6.011
198 2HD2 ASN 27 1HD2 ASN 27 -11.297 5.470 7.336
199 H VAL 28 H VAL 28 -13.027 2.143 1.571
200 HA VAL 28 HA VAL 28 -15.671 3.510 1.490
201 HB VAL 28 HB VAL 28 -13.548 3.769 -0.679
202 1HG1 VAL 28 1HG1 VAL 28 -16.260 5.136 -0.366
203 2HG1 VAL 28 2HG1 VAL 28 -15.070 5.456 -1.649
204 3HG1 VAL 28 3HG1 VAL 28 -15.859 3.876 -1.546
205 1HG2 VAL 28 1HG2 VAL 28 -12.867 5.172 1.247
206 2HG2 VAL 28 2HG2 VAL 28 -13.424 6.174 -0.085
207 3HG2 VAL 28 3HG2 VAL 28 -14.481 5.890 1.312
208 H VAL 29 H VAL 29 -13.621 1.248 -0.435
209 HA VAL 29 HA VAL 29 -15.787 0.249 -1.936
210 HB VAL 29 HB VAL 29 -12.983 -0.785 -1.406
211 1HG1 VAL 29 1HG1 VAL 29 -14.392 -2.728 -2.064
212 2HG1 VAL 29 2HG1 VAL 29 -15.087 -1.786 -3.403
213 3HG1 VAL 29 3HG1 VAL 29 -13.375 -2.236 -3.417
214 1HG2 VAL 29 1HG2 VAL 29 -14.242 0.632 -3.776
215 2HG2 VAL 29 2HG2 VAL 29 -13.116 1.336 -2.591
216 3HG2 VAL 29 3HG2 VAL 29 -12.574 0.043 -3.662
217 H THR 30 H THR 30 -14.070 -1.501 0.624
218 HA THR 30 HA THR 30 -16.199 -3.345 0.894
219 HB THR 30 HB THR 30 -14.883 -4.057 2.846
220 HG1 THR 30 HG1 THR 30 -13.869 -2.402 3.655
221 1HG2 THR 30 1HG2 THR 30 -14.332 -4.918 0.566
222 2HG2 THR 30 2HG2 THR 30 -12.913 -4.824 1.612
223 3HG2 THR 30 3HG2 THR 30 -13.178 -3.582 0.383
224 H ARG 31 H ARG 31 -15.492 -0.324 2.504
225 HA ARG 31 HA ARG 31 -17.328 -0.711 4.606
226 1HB ARG 31 1HB ARG 31 -15.460 1.176 4.188
227 2HB ARG 31 2HB ARG 31 -16.843 2.085 3.562
228 1HG ARG 31 1HG ARG 31 -17.988 1.517 5.843
229 2HG ARG 31 2HG ARG 31 -16.404 0.929 6.349
230 1HD ARG 31 1HD ARG 31 -16.561 3.143 7.157
231 2HD ARG 31 2HD ARG 31 -15.468 3.216 5.766
232 HE ARG 31 HE ARG 31 -18.324 3.750 5.216
233 1HH1 ARG 31 1HH1 ARG 31 -15.185 5.213 6.033
234 2HH1 ARG 31 2HH1 ARG 31 -15.740 6.843 5.873
235 1HH2 ARG 31 1HH2 ARG 31 -18.960 5.932 4.651
236 2HH2 ARG 31 2HH2 ARG 31 -17.962 7.249 5.053
237 H HIS 32 H HIS 32 -17.989 -0.139 1.390
238 HA HIS 32 HA HIS 32 -20.773 0.779 1.865
239 1HB HIS 32 1HB HIS 32 -18.888 0.680 -0.497
240 2HB HIS 32 2HB HIS 32 -20.598 0.866 -0.720
241 HD1 HIS 32 HD1 HIS 32 -20.519 3.320 -1.611
242 HD2 HIS 32 HD2 HIS 32 -18.738 2.742 2.160
243 HE1 HIS 32 HE1 HIS 32 -20.091 5.625 -0.656
244 H ARG 33 H ARG 33 -19.367 -2.060 2.148
245 HA ARG 33 HA ARG 33 -20.057 -4.190 2.186
246 1HB ARG 33 1HB ARG 33 -22.730 -3.443 0.969
247 2HB ARG 33 2HB ARG 33 -22.288 -4.869 1.897
248 1HG ARG 33 1HG ARG 33 -21.871 -3.362 3.905
249 2HG ARG 33 2HG ARG 33 -22.454 -2.001 2.949
250 1HD ARG 33 1HD ARG 33 -24.350 -2.619 4.133
251 2HD ARG 33 2HD ARG 33 -24.612 -3.387 2.571
252 HE ARG 33 HE ARG 33 -24.036 -5.505 3.484
253 1HH1 ARG 33 1HH1 ARG 33 -24.837 -3.113 5.961
254 2HH1 ARG 33 2HH1 ARG 33 -24.412 -4.174 7.276
255 1HH2 ARG 33 1HH2 ARG 33 -23.733 -6.958 5.320
256 2HH2 ARG 33 2HH2 ARG 33 -23.938 -6.274 6.928
257 H TYR 34 H TYR 34 -18.375 -4.581 0.770
258 HA TYR 34 HA TYR 34 -18.312 -4.084 -1.957
259 1HB TYR 34 1HB TYR 34 -16.518 -5.742 -2.095
260 2HB TYR 34 2HB TYR 34 -16.302 -4.648 -0.762
261 HD1 TYR 34 HD1 TYR 34 -16.759 -5.476 1.640
262 HD2 TYR 34 HD2 TYR 34 -16.735 -8.125 -1.775
263 HE1 TYR 34 HE1 TYR 34 -16.511 -7.381 3.135
264 HE2 TYR 34 HE2 TYR 34 -16.436 -10.067 -0.253
265 HH TYR 34 HH TYR 34 -16.164 -9.618 3.316
266 1HN NH2 35 1H NH2 35 -18.352 -5.562 -3.760
267 2HN NH2 35 2H NH2 35 -19.349 -7.006 -3.764
268 3HM EAB 10 3HM AZT 10 15.717 -0.972 -1.792
269 2HM EAB 10 2HM AZT 10 16.117 -0.096 -0.325
270 HL EAB 10 HL AZT 10 12.963 -0.571 0.702
271 HK2 EAB 10 HK2 AZT 10 12.086 -2.469 2.002
272 HJ2 EAB 10 HJ2 AZT 10 13.309 -4.629 2.065
273 HG1 EAB 10 HG1 AZT 10 14.826 -8.397 -0.605
274 HG2 EAB 10 HG2 AZT 10 17.737 -10.786 1.528
275 HD2 EAB 10 HD2 AZT 10 18.345 -8.809 2.885
276 HE EAB 10 HE AZT 10 17.230 -6.635 2.509
277 2HA EAB 10 2HA AZT 10 15.009 -11.412 -0.002
278 3HA EAB 10 3HA AZT 10 16.708 -11.667 -0.409
279 1HN EAB 10 H AZT 10 16.386 -10.194 -2.373
280 HJ1 EAB 10 HJ1 AZT 10 16.277 -3.015 -0.589
Start of MODEL 8
1 1H GLY 1 H GLY 1 -2.419 -5.197 -11.588
2 1HA GLY 1 1HA GLY 1 -3.394 -7.381 -11.166
3 2HA GLY 1 2HA GLY 1 -2.583 -7.962 -12.634
4 HA PRO 2 HA PRO 2 0.262 -7.830 -8.684
5 1HB PRO 2 1HB PRO 2 -0.322 -10.188 -7.358
6 2HB PRO 2 2HB PRO 2 -1.050 -8.600 -6.985
7 1HG PRO 2 1HG PRO 2 -2.189 -10.792 -8.739
8 2HG PRO 2 2HG PRO 2 -3.017 -9.873 -7.439
9 1HD PRO 2 1HD PRO 2 -3.308 -9.223 -10.042
10 2HD PRO 2 2HD PRO 2 -3.152 -7.939 -8.799
11 H SER 3 H SER 3 2.165 -8.297 -9.470
12 HA SER 3 HA SER 3 2.847 -10.954 -10.593
13 1HB SER 3 1HB SER 3 4.314 -9.589 -12.210
14 2HB SER 3 2HB SER 3 2.583 -9.603 -12.515
15 HG SER 3 HG SER 3 3.751 -7.494 -10.997
16 H GLN 4 H GLN 4 5.325 -11.068 -10.739
17 HA GLN 4 HA GLN 4 7.435 -10.880 -10.059
18 1HB GLN 4 1HB GLN 4 6.685 -8.698 -8.093
19 2HB GLN 4 2HB GLN 4 8.287 -9.231 -8.545
20 1HG GLN 4 1HG GLN 4 7.971 -8.517 -10.859
21 2HG GLN 4 2HG GLN 4 6.319 -7.990 -10.502
22 1HE2 GLN 4 2HE2 GLN 4 8.867 -7.413 -8.063
23 2HE2 GLN 4 1HE2 GLN 4 9.173 -5.763 -8.481
24 HA PRO 5 HA PRO 5 7.189 -13.908 -6.922
25 1HB PRO 5 1HB PRO 5 9.634 -13.875 -5.632
26 2HB PRO 5 2HB PRO 5 9.364 -14.550 -7.265
27 1HG PRO 5 1HG PRO 5 10.401 -11.809 -6.510
28 2HG PRO 5 2HG PRO 5 11.053 -12.948 -7.736
29 1HD PRO 5 1HD PRO 5 9.466 -10.893 -8.434
30 2HD PRO 5 2HD PRO 5 9.292 -12.474 -9.239
31 H THR 6 H THR 6 6.536 -14.165 -4.800
32 HA THR 6 HA THR 6 5.882 -11.732 -3.413
33 HB THR 6 HB THR 6 4.418 -13.731 -3.531
34 HG1 THR 6 HG1 THR 6 3.809 -13.598 -1.321
35 1HG2 THR 6 1HG2 THR 6 4.709 -15.583 -1.932
36 2HG2 THR 6 2HG2 THR 6 6.333 -14.991 -1.523
37 3HG2 THR 6 3HG2 THR 6 5.974 -15.572 -3.165
38 H TYR 7 H TYR 7 6.428 -11.341 -1.169
39 HA TYR 7 HA TYR 7 8.010 -10.547 0.220
40 1HB TYR 7 1HB TYR 7 8.572 -13.488 0.576
41 2HB TYR 7 2HB TYR 7 8.731 -12.215 1.787
42 HD1 TYR 7 HD1 TYR 7 6.308 -10.688 1.737
43 HD2 TYR 7 HD2 TYR 7 6.777 -14.923 1.024
44 HE1 TYR 7 HE1 TYR 7 3.916 -11.002 2.108
45 HE2 TYR 7 HE2 TYR 7 4.377 -15.268 1.467
46 HH TYR 7 HH TYR 7 2.150 -12.504 2.093
47 HA PRO 8 HA PRO 8 11.491 -11.007 -2.866
48 1HB PRO 8 1HB PRO 8 11.754 -8.393 -3.589
49 2HB PRO 8 2HB PRO 8 10.563 -9.515 -4.314
50 1HG PRO 8 1HG PRO 8 10.116 -7.510 -2.074
51 2HG PRO 8 2HG PRO 8 9.124 -7.750 -3.546
52 1HD PRO 8 1HD PRO 8 8.446 -8.889 -1.190
53 2HD PRO 8 2HD PRO 8 8.217 -9.751 -2.737
54 H GLY 9 H GLY 9 13.314 -11.405 -1.780
55 1HA GLY 9 1HA GLY 9 14.200 -9.786 0.494
56 2HA GLY 9 2HA GLY 9 15.008 -11.198 -0.224
57 HA PRO 11 HA PRO 11 13.218 4.491 -1.219
58 1HB PRO 11 1HB PRO 11 12.019 2.944 -3.121
59 2HB PRO 11 2HB PRO 11 13.759 3.346 -3.184
60 1HG PRO 11 1HG PRO 11 12.428 0.791 -2.271
61 2HG PRO 11 2HG PRO 11 13.904 0.995 -3.263
62 1HD PRO 11 1HD PRO 11 13.869 0.520 -0.538
63 2HD PRO 11 2HD PRO 11 15.219 1.323 -1.378
64 H VAL 12 H VAL 12 11.684 5.108 0.402
65 HA VAL 12 HA VAL 12 9.524 3.162 0.951
66 HB VAL 12 HB VAL 12 9.597 5.100 3.013
67 1HG1 VAL 12 1HG1 VAL 12 8.721 2.794 3.159
68 2HG1 VAL 12 2HG1 VAL 12 10.369 2.151 3.010
69 3HG1 VAL 12 3HG1 VAL 12 9.905 3.107 4.442
70 1HG2 VAL 12 1HG2 VAL 12 11.712 4.719 4.134
71 2HG2 VAL 12 2HG2 VAL 12 12.307 3.762 2.774
72 3HG2 VAL 12 3HG2 VAL 12 11.980 5.511 2.582
73 H GLU 13 H GLU 13 10.207 6.457 -0.060
74 HA GLU 13 HA GLU 13 7.635 7.534 0.388
75 1HB GLU 13 1HB GLU 13 9.710 8.784 -0.209
76 2HB GLU 13 2HB GLU 13 9.594 8.182 -1.861
77 1HG GLU 13 1HG GLU 13 7.508 9.419 -2.212
78 2HG GLU 13 2HG GLU 13 7.450 9.864 -0.493
79 H ASP 14 H ASP 14 8.800 5.457 -2.195
80 HA ASP 14 HA ASP 14 6.349 5.649 -3.767
81 1HB ASP 14 1HB ASP 14 7.595 4.158 -5.284
82 2HB ASP 14 2HB ASP 14 8.513 5.603 -4.896
83 H LEU 15 H LEU 15 7.476 3.851 -1.101
84 HA LEU 15 HA LEU 15 5.955 1.393 -1.762
85 1HB LEU 15 1HB LEU 15 8.258 1.231 -0.772
86 2HB LEU 15 2HB LEU 15 7.688 2.102 0.637
87 HG LEU 15 HG LEU 15 6.109 0.284 1.184
88 1HD1 LEU 15 1HD1 LEU 15 5.636 -0.688 -1.014
89 2HD1 LEU 15 2HD1 LEU 15 6.349 -1.923 0.022
90 3HD1 LEU 15 3HD1 LEU 15 7.348 -1.137 -1.223
91 1HD2 LEU 15 1HD2 LEU 15 8.991 -0.591 0.742
92 2HD2 LEU 15 2HD2 LEU 15 7.829 -1.356 1.863
93 3HD2 LEU 15 3HD2 LEU 15 8.369 0.307 2.142
94 H ILE 16 H ILE 16 6.031 4.029 0.715
95 HA ILE 16 HA ILE 16 3.813 3.129 2.208
96 HB ILE 16 HB ILE 16 3.628 5.461 3.010
97 1HG1 ILE 16 1HG1 ILE 16 5.510 6.073 0.720
98 2HG1 ILE 16 2HG1 ILE 16 3.995 6.841 1.156
99 1HG2 ILE 16 1HG2 ILE 16 5.757 5.522 4.128
100 2HG2 ILE 16 2HG2 ILE 16 5.173 3.877 3.989
101 3HG2 ILE 16 3HG2 ILE 16 6.490 4.436 2.931
102 1HD1 ILE 16 1HD1 ILE 16 5.831 8.305 1.646
103 2HD1 ILE 16 2HD1 ILE 16 5.113 7.781 3.188
104 3HD1 ILE 16 3HD1 ILE 16 6.654 7.082 2.616
105 H ARG 17 H ARG 17 3.847 4.904 -0.866
106 HA ARG 17 HA ARG 17 1.108 5.730 -0.612
107 1HB ARG 17 1HB ARG 17 2.786 5.261 -3.117
108 2HB ARG 17 2HB ARG 17 1.244 6.121 -3.089
109 1HG ARG 17 1HG ARG 17 2.194 7.925 -1.754
110 2HG ARG 17 2HG ARG 17 3.688 7.038 -1.505
111 1HD ARG 17 1HD ARG 17 4.071 8.698 -3.214
112 2HD ARG 17 2HD ARG 17 4.147 7.089 -3.947
113 HE ARG 17 HE ARG 17 1.496 8.308 -4.028
114 1HH1 ARG 17 1HH1 ARG 17 4.571 7.960 -5.853
115 2HH1 ARG 17 2HH1 ARG 17 3.866 8.439 -7.347
116 1HH2 ARG 17 1HH2 ARG 17 0.631 9.043 -6.063
117 2HH2 ARG 17 2HH2 ARG 17 1.684 9.156 -7.431
118 H PHE 18 H PHE 18 2.531 2.852 -1.701
119 HA PHE 18 HA PHE 18 0.194 1.729 -2.928
120 1HB PHE 18 1HB PHE 18 2.742 0.938 -2.888
121 2HB PHE 18 2HB PHE 18 2.226 -0.040 -1.538
122 HD1 PHE 18 HD1 PHE 18 2.721 -0.009 -4.983
123 HD2 PHE 18 HD2 PHE 18 -0.100 -1.438 -2.057
124 HE1 PHE 18 HE1 PHE 18 1.899 -1.683 -6.603
125 HE2 PHE 18 HE2 PHE 18 -0.939 -3.109 -3.703
126 HZ PHE 18 HZ PHE 18 0.060 -3.233 -5.963
127 H TYR 19 H TYR 19 1.523 1.587 0.365
128 HA TYR 19 HA TYR 19 -0.550 -0.119 1.390
129 1HB TYR 19 1HB TYR 19 1.858 0.529 2.356
130 2HB TYR 19 2HB TYR 19 0.930 1.741 3.233
131 HD1 TYR 19 HD1 TYR 19 -0.860 0.984 4.873
132 HD2 TYR 19 HD2 TYR 19 1.574 -1.827 2.697
133 HE1 TYR 19 HE1 TYR 19 -1.752 -0.862 6.261
134 HE2 TYR 19 HE2 TYR 19 0.700 -3.670 4.067
135 HH TYR 19 HH TYR 19 -1.693 -3.148 6.687
136 H ASN 20 H ASN 20 -0.053 3.421 1.482
137 HA ASN 20 HA ASN 20 -2.326 4.078 3.052
138 1HB ASN 20 1HB ASN 20 -0.625 5.575 1.035
139 2HB ASN 20 2HB ASN 20 -2.129 6.279 1.608
140 1HD2 ASN 20 2HD2 ASN 20 1.126 5.348 2.595
141 2HD2 ASN 20 1HD2 ASN 20 1.055 6.210 4.144
142 H ASP 21 H ASP 21 -1.948 3.681 -0.497
143 HA ASP 21 HA ASP 21 -4.617 4.390 -1.173
144 1HB ASP 21 1HB ASP 21 -2.519 2.723 -2.608
145 2HB ASP 21 2HB ASP 21 -4.085 3.147 -3.292
146 H LEU 22 H LEU 22 -3.090 1.184 -0.484
147 HA LEU 22 HA LEU 22 -5.475 -0.345 -1.037
148 1HB LEU 22 1HB LEU 22 -3.020 -0.868 0.686
149 2HB LEU 22 2HB LEU 22 -4.356 -2.008 0.615
150 HG LEU 22 HG LEU 22 -2.739 -1.145 -1.823
151 1HD1 LEU 22 1HD1 LEU 22 -1.371 -2.412 -0.230
152 2HD1 LEU 22 2HD1 LEU 22 -1.770 -3.455 -1.607
153 3HD1 LEU 22 3HD1 LEU 22 -2.635 -3.640 -0.071
154 1HD2 LEU 22 1HD2 LEU 22 -4.974 -1.876 -2.497
155 2HD2 LEU 22 2HD2 LEU 22 -4.855 -3.311 -1.459
156 3HD2 LEU 22 3HD2 LEU 22 -3.807 -3.137 -2.884
157 H GLN 23 H GLN 23 -4.215 1.199 1.929
158 HA GLN 23 HA GLN 23 -6.242 0.216 3.690
159 1HB GLN 23 1HB GLN 23 -4.515 2.713 3.711
160 2HB GLN 23 2HB GLN 23 -5.731 2.407 4.954
161 1HG GLN 23 1HG GLN 23 -4.663 0.284 5.535
162 2HG GLN 23 2HG GLN 23 -3.399 0.565 4.335
163 1HE2 GLN 23 2HE2 GLN 23 -3.270 3.555 5.010
164 2HE2 GLN 23 1HE2 GLN 23 -2.482 3.608 6.554
165 H GLN 24 H GLN 24 -6.123 3.278 1.737
166 HA GLN 24 HA GLN 24 -8.674 4.257 2.558
167 1HB GLN 24 1HB GLN 24 -7.134 4.564 -0.057
168 2HB GLN 24 2HB GLN 24 -8.664 5.379 0.243
169 1HG GLN 24 1HG GLN 24 -7.687 6.610 2.127
170 2HG GLN 24 2HG GLN 24 -6.132 5.817 1.864
171 1HE2 GLN 24 2HE2 GLN 24 -4.938 6.258 -0.144
172 2HE2 GLN 24 1HE2 GLN 24 -5.436 7.521 -1.243
173 H TYR 25 H TYR 25 -7.757 1.921 -0.028
174 HA TYR 25 HA TYR 25 -10.300 1.784 -1.355
175 1HB TYR 25 1HB TYR 25 -8.093 0.813 -2.155
176 2HB TYR 25 2HB TYR 25 -8.245 -0.444 -0.943
177 HD1 TYR 25 HD1 TYR 25 -9.284 0.696 -4.219
178 HD2 TYR 25 HD2 TYR 25 -10.165 -2.118 -1.061
179 HE1 TYR 25 HE1 TYR 25 -10.606 -0.679 -5.807
180 HE2 TYR 25 HE2 TYR 25 -11.508 -3.463 -2.633
181 HH TYR 25 HH TYR 25 -11.934 -3.835 -4.949
182 H LEU 26 H LEU 26 -8.957 -0.284 1.306
183 HA LEU 26 HA LEU 26 -11.502 -1.493 1.685
184 1HB LEU 26 1HB LEU 26 -10.061 -2.857 2.738
185 2HB LEU 26 2HB LEU 26 -8.831 -1.617 2.820
186 HG LEU 26 HG LEU 26 -9.898 -0.802 4.984
187 1HD1 LEU 26 1HD1 LEU 26 -11.312 -3.515 4.734
188 2HD1 LEU 26 2HD1 LEU 26 -12.099 -1.929 4.862
189 3HD1 LEU 26 3HD1 LEU 26 -11.188 -2.563 6.228
190 1HD2 LEU 26 1HD2 LEU 26 -8.710 -3.601 4.768
191 2HD2 LEU 26 2HD2 LEU 26 -8.797 -2.640 6.256
192 3HD2 LEU 26 3HD2 LEU 26 -7.822 -2.066 4.904
193 H ASN 27 H ASN 27 -10.080 1.384 3.180
194 HA ASN 27 HA ASN 27 -12.174 1.781 5.049
195 1HB ASN 27 1HB ASN 27 -9.726 3.112 4.338
196 2HB ASN 27 2HB ASN 27 -10.973 4.313 4.226
197 1HD2 ASN 27 2HD2 ASN 27 -11.328 5.388 6.113
198 2HD2 ASN 27 1HD2 ASN 27 -10.827 4.761 7.679
199 H VAL 28 H VAL 28 -12.395 2.271 1.654
200 HA VAL 28 HA VAL 28 -14.856 3.912 2.097
201 HB VAL 28 HB VAL 28 -12.760 4.411 -0.048
202 1HG1 VAL 28 1HG1 VAL 28 -14.090 6.507 -0.433
203 2HG1 VAL 28 2HG1 VAL 28 -15.012 5.049 -0.790
204 3HG1 VAL 28 3HG1 VAL 28 -15.302 5.903 0.727
205 1HG2 VAL 28 1HG2 VAL 28 -13.340 5.866 2.557
206 2HG2 VAL 28 2HG2 VAL 28 -11.786 5.219 2.004
207 3HG2 VAL 28 3HG2 VAL 28 -12.474 6.640 1.218
208 H VAL 29 H VAL 29 -13.181 1.572 -0.066
209 HA VAL 29 HA VAL 29 -15.442 1.418 -1.849
210 HB VAL 29 HB VAL 29 -12.924 -0.280 -1.651
211 1HG1 VAL 29 1HG1 VAL 29 -13.611 -1.002 -3.960
212 2HG1 VAL 29 2HG1 VAL 29 -14.714 -1.579 -2.707
213 3HG1 VAL 29 3HG1 VAL 29 -15.162 -0.178 -3.703
214 1HG2 VAL 29 1HG2 VAL 29 -12.293 0.979 -3.697
215 2HG2 VAL 29 2HG2 VAL 29 -13.745 1.985 -3.525
216 3HG2 VAL 29 3HG2 VAL 29 -12.460 2.044 -2.300
217 H THR 30 H THR 30 -14.005 -1.016 0.294
218 HA THR 30 HA THR 30 -16.364 -2.533 0.295
219 HB THR 30 HB THR 30 -15.262 -3.697 2.134
220 HG1 THR 30 HG1 THR 30 -13.982 -2.225 3.110
221 1HG2 THR 30 1HG2 THR 30 -14.789 -4.327 -0.246
222 2HG2 THR 30 2HG2 THR 30 -13.367 -4.571 0.783
223 3HG2 THR 30 3HG2 THR 30 -13.452 -3.159 -0.277
224 H ARG 31 H ARG 31 -15.269 0.099 2.300
225 HA ARG 31 HA ARG 31 -17.148 -0.124 4.367
226 1HB ARG 31 1HB ARG 31 -15.152 1.439 4.224
227 2HB ARG 31 2HB ARG 31 -16.094 2.454 3.130
228 1HG ARG 31 1HG ARG 31 -16.012 3.375 5.381
229 2HG ARG 31 2HG ARG 31 -17.675 2.996 4.950
230 1HD ARG 31 1HD ARG 31 -17.634 0.967 6.297
231 2HD ARG 31 2HD ARG 31 -15.867 1.118 6.473
232 HE ARG 31 HE ARG 31 -17.425 3.359 7.508
233 1HH1 ARG 31 1HH1 ARG 31 -15.675 0.357 8.212
234 2HH1 ARG 31 2HH1 ARG 31 -15.288 0.750 9.851
235 1HH2 ARG 31 1HH2 ARG 31 -17.225 3.775 9.814
236 2HH2 ARG 31 2HH2 ARG 31 -16.244 2.720 10.786
237 H HIS 32 H HIS 32 -17.852 0.390 1.162
238 HA HIS 32 HA HIS 32 -20.595 1.257 1.860
239 1HB HIS 32 1HB HIS 32 -18.733 2.831 0.453
240 2HB HIS 32 2HB HIS 32 -19.692 2.106 -0.828
241 HD1 HIS 32 HD1 HIS 32 -21.871 3.451 -1.347
242 HD2 HIS 32 HD2 HIS 32 -20.261 4.090 2.511
243 HE1 HIS 32 HE1 HIS 32 -23.135 5.405 -0.355
244 H ARG 33 H ARG 33 -18.751 -1.001 0.470
245 HA ARG 33 HA ARG 33 -20.861 -2.837 -0.146
246 1HB ARG 33 1HB ARG 33 -20.451 -3.081 -2.593
247 2HB ARG 33 2HB ARG 33 -21.364 -1.663 -2.138
248 1HG ARG 33 1HG ARG 33 -19.596 -0.174 -2.644
249 2HG ARG 33 2HG ARG 33 -18.372 -1.435 -2.557
250 1HD ARG 33 1HD ARG 33 -19.509 -2.547 -4.571
251 2HD ARG 33 2HD ARG 33 -20.475 -1.079 -4.722
252 HE ARG 33 HE ARG 33 -18.675 0.027 -5.576
253 1HH1 ARG 33 1HH1 ARG 33 -17.511 -2.981 -4.078
254 2HH1 ARG 33 2HH1 ARG 33 -15.921 -2.906 -4.696
255 1HH2 ARG 33 1HH2 ARG 33 -16.529 0.230 -6.408
256 2HH2 ARG 33 2HH2 ARG 33 -15.403 -1.092 -6.225
257 H TYR 34 H TYR 34 -19.326 -3.752 1.441
258 HA TYR 34 HA TYR 34 -16.707 -4.600 0.750
259 1HB TYR 34 1HB TYR 34 -17.025 -5.989 2.838
260 2HB TYR 34 2HB TYR 34 -17.292 -4.280 3.065
261 HD1 TYR 34 HD1 TYR 34 -19.554 -3.349 3.431
262 HD2 TYR 34 HD2 TYR 34 -18.932 -7.582 2.882
263 HE1 TYR 34 HE1 TYR 34 -21.924 -3.792 4.094
264 HE2 TYR 34 HE2 TYR 34 -21.258 -8.026 3.588
265 HH TYR 34 HH TYR 34 -23.370 -5.735 4.995
266 1HN NH2 35 1H NH2 35 -19.856 -5.955 -0.053
267 2HN NH2 35 2H NH2 35 -19.204 -7.505 -0.567
268 3HM EAB 10 3HM AZT 10 16.419 2.184 0.829
269 2HM EAB 10 2HM AZT 10 15.729 2.690 2.369
270 HL EAB 10 HL AZT 10 12.971 1.261 2.176
271 HK2 EAB 10 HK2 AZT 10 12.324 -1.076 2.523
272 HJ2 EAB 10 HJ2 AZT 10 13.943 -2.908 2.155
273 HG1 EAB 10 HG1 AZT 10 15.911 -5.826 -0.206
274 HG2 EAB 10 HG2 AZT 10 19.901 -7.444 0.031
275 HD2 EAB 10 HD2 AZT 10 20.604 -5.501 1.401
276 HE EAB 10 HE AZT 10 19.018 -3.709 1.928
277 2HA EAB 10 2HA AZT 10 18.337 -8.478 -1.341
278 3HA EAB 10 3HA AZT 10 17.071 -7.437 -2.009
279 1HN EAB 10 H AZT 10 16.466 -8.875 0.503
280 HJ1 EAB 10 HJ1 AZT 10 16.979 -0.007 1.172
Start of MODEL 9
1 1H GLY 1 H GLY 1 2.509 -16.082 -14.217
2 1HA GLY 1 1HA GLY 1 0.332 -16.461 -13.118
3 2HA GLY 1 2HA GLY 1 1.249 -16.754 -11.617
4 HA PRO 2 HA PRO 2 1.234 -12.064 -12.950
5 1HB PRO 2 1HB PRO 2 -1.296 -11.079 -12.948
6 2HB PRO 2 2HB PRO 2 -0.509 -11.771 -14.379
7 1HG PRO 2 1HG PRO 2 -2.453 -13.118 -12.488
8 2HG PRO 2 2HG PRO 2 -2.452 -13.115 -14.283
9 1HD PRO 2 1HD PRO 2 -1.398 -15.165 -12.809
10 2HD PRO 2 2HD PRO 2 -0.710 -14.673 -14.385
11 H SER 3 H SER 3 2.264 -12.041 -11.015
12 HA SER 3 HA SER 3 0.709 -11.248 -8.621
13 1HB SER 3 1HB SER 3 3.058 -13.211 -8.802
14 2HB SER 3 2HB SER 3 2.311 -12.661 -7.300
15 HG SER 3 HG SER 3 0.315 -13.550 -8.127
16 H GLN 4 H GLN 4 1.774 -9.881 -7.235
17 HA GLN 4 HA GLN 4 4.361 -8.679 -8.110
18 1HB GLN 4 1HB GLN 4 1.726 -7.297 -7.496
19 2HB GLN 4 2HB GLN 4 3.257 -6.476 -7.255
20 1HG GLN 4 1HG GLN 4 2.354 -7.689 -9.893
21 2HG GLN 4 2HG GLN 4 2.144 -6.001 -9.444
22 1HE2 GLN 4 2HE2 GLN 4 4.494 -5.172 -8.346
23 2HE2 GLN 4 1HE2 GLN 4 5.809 -5.403 -9.486
24 HA PRO 5 HA PRO 5 4.123 -9.983 -3.602
25 1HB PRO 5 1HB PRO 5 6.249 -11.651 -3.483
26 2HB PRO 5 2HB PRO 5 4.698 -12.208 -4.194
27 1HG PRO 5 1HG PRO 5 7.138 -11.133 -5.657
28 2HG PRO 5 2HG PRO 5 6.242 -12.648 -5.992
29 1HD PRO 5 1HD PRO 5 5.745 -10.322 -7.350
30 2HD PRO 5 2HD PRO 5 4.458 -11.500 -6.967
31 H THR 6 H THR 6 6.083 -9.438 -1.913
32 HA THR 6 HA THR 6 7.999 -7.627 -3.202
33 HB THR 6 HB THR 6 7.656 -6.096 -1.434
34 HG1 THR 6 HG1 THR 6 5.341 -7.438 -0.578
35 1HG2 THR 6 1HG2 THR 6 5.516 -5.097 -2.065
36 2HG2 THR 6 2HG2 THR 6 4.934 -6.640 -2.708
37 3HG2 THR 6 3HG2 THR 6 6.274 -5.803 -3.497
38 H TYR 7 H TYR 7 9.983 -7.460 -2.138
39 HA TYR 7 HA TYR 7 10.500 -9.403 0.054
40 1HB TYR 7 1HB TYR 7 12.150 -9.196 -2.475
41 2HB TYR 7 2HB TYR 7 12.484 -10.204 -1.071
42 HD1 TYR 7 HD1 TYR 7 10.508 -11.856 -0.360
43 HD2 TYR 7 HD2 TYR 7 10.972 -10.150 -4.298
44 HE1 TYR 7 HE1 TYR 7 9.041 -13.617 -1.291
45 HE2 TYR 7 HE2 TYR 7 9.523 -11.898 -5.235
46 HH TYR 7 HH TYR 7 8.489 -13.925 -4.802
47 HA PRO 8 HA PRO 8 12.279 -5.233 0.900
48 1HB PRO 8 1HB PRO 8 11.802 -5.123 3.581
49 2HB PRO 8 2HB PRO 8 10.497 -4.889 2.378
50 1HG PRO 8 1HG PRO 8 11.198 -7.423 3.861
51 2HG PRO 8 2HG PRO 8 9.584 -6.656 3.688
52 1HD PRO 8 1HD PRO 8 10.453 -8.687 2.065
53 2HD PRO 8 2HD PRO 8 9.369 -7.395 1.466
54 H GLY 9 H GLY 9 14.159 -4.619 2.327
55 1HA GLY 9 1HA GLY 9 15.638 -6.091 4.052
56 2HA GLY 9 2HA GLY 9 16.063 -6.835 2.508
57 HA PRO 11 HA PRO 11 12.211 5.590 -0.345
58 1HB PRO 11 1HB PRO 11 10.708 3.480 -1.242
59 2HB PRO 11 2HB PRO 11 12.288 3.887 -1.965
60 1HG PRO 11 1HG PRO 11 11.654 1.695 0.005
61 2HG PRO 11 2HG PRO 11 12.761 1.667 -1.389
62 1HD PRO 11 1HD PRO 11 13.537 2.072 1.262
63 2HD PRO 11 2HD PRO 11 14.477 2.615 -0.156
64 H VAL 12 H VAL 12 10.750 6.612 1.239
65 HA VAL 12 HA VAL 12 9.260 4.742 2.960
66 HB VAL 12 HB VAL 12 9.652 7.092 4.379
67 1HG1 VAL 12 1HG1 VAL 12 10.853 4.304 4.726
68 2HG1 VAL 12 2HG1 VAL 12 10.818 5.537 6.006
69 3HG1 VAL 12 3HG1 VAL 12 9.301 4.880 5.364
70 1HG2 VAL 12 1HG2 VAL 12 11.694 7.647 3.123
71 2HG2 VAL 12 2HG2 VAL 12 11.945 7.376 4.851
72 3HG2 VAL 12 3HG2 VAL 12 12.414 6.125 3.701
73 H GLU 13 H GLU 13 9.353 8.177 1.759
74 HA GLU 13 HA GLU 13 6.616 8.556 2.455
75 1HB GLU 13 1HB GLU 13 8.569 9.976 0.615
76 2HB GLU 13 2HB GLU 13 6.908 10.553 0.846
77 1HG GLU 13 1HG GLU 13 7.245 11.156 3.052
78 2HG GLU 13 2HG GLU 13 8.462 9.932 3.357
79 H ASP 14 H ASP 14 8.130 7.724 -0.702
80 HA ASP 14 HA ASP 14 5.517 7.490 -1.979
81 1HB ASP 14 1HB ASP 14 8.158 6.275 -2.859
82 2HB ASP 14 2HB ASP 14 6.701 6.429 -3.842
83 H LEU 15 H LEU 15 7.548 5.404 -0.095
84 HA LEU 15 HA LEU 15 6.544 2.833 -0.931
85 1HB LEU 15 1HB LEU 15 8.700 3.146 0.249
86 2HB LEU 15 2HB LEU 15 7.856 3.741 1.658
87 HG LEU 15 HG LEU 15 6.692 1.176 0.996
88 1HD1 LEU 15 1HD1 LEU 15 8.706 -0.237 1.312
89 2HD1 LEU 15 2HD1 LEU 15 9.722 1.203 1.123
90 3HD1 LEU 15 3HD1 LEU 15 8.714 0.671 -0.218
91 1HD2 LEU 15 1HD2 LEU 15 7.496 0.589 3.254
92 2HD2 LEU 15 2HD2 LEU 15 6.703 2.157 3.239
93 3HD2 LEU 15 3HD2 LEU 15 8.476 2.075 3.302
94 H ILE 16 H ILE 16 5.915 4.784 2.087
95 HA ILE 16 HA ILE 16 3.674 3.151 2.788
96 HB ILE 16 HB ILE 16 3.146 4.752 4.470
97 1HG1 ILE 16 1HG1 ILE 16 4.925 6.686 2.969
98 2HG1 ILE 16 2HG1 ILE 16 3.226 6.847 3.391
99 1HG2 ILE 16 1HG2 ILE 16 5.165 4.659 5.768
100 2HG2 ILE 16 2HG2 ILE 16 5.060 3.213 4.788
101 3HG2 ILE 16 3HG2 ILE 16 6.171 4.508 4.321
102 1HD1 ILE 16 1HD1 ILE 16 4.514 8.301 4.788
103 2HD1 ILE 16 2HD1 ILE 16 3.878 6.985 5.811
104 3HD1 ILE 16 3HD1 ILE 16 5.591 6.991 5.279
105 H ARG 17 H ARG 17 3.945 6.114 0.722
106 HA ARG 17 HA ARG 17 1.120 6.423 0.698
107 1HB ARG 17 1HB ARG 17 2.858 8.139 0.091
108 2HB ARG 17 2HB ARG 17 3.034 7.356 -1.482
109 1HG ARG 17 1HG ARG 17 0.859 7.986 -2.160
110 2HG ARG 17 2HG ARG 17 0.283 8.224 -0.513
111 1HD ARG 17 1HD ARG 17 2.361 9.983 -1.865
112 2HD ARG 17 2HD ARG 17 0.638 10.355 -1.749
113 HE ARG 17 HE ARG 17 1.827 9.758 0.826
114 1HH1 ARG 17 1HH1 ARG 17 1.507 12.334 -1.565
115 2HH1 ARG 17 2HH1 ARG 17 1.769 13.612 -0.475
116 1HH2 ARG 17 1HH2 ARG 17 2.412 11.493 2.305
117 2HH2 ARG 17 2HH2 ARG 17 2.308 13.120 1.789
118 H PHE 18 H PHE 18 3.096 4.277 -1.014
119 HA PHE 18 HA PHE 18 1.044 3.551 -3.011
120 1HB PHE 18 1HB PHE 18 3.483 3.404 -3.475
121 2HB PHE 18 2HB PHE 18 3.657 2.183 -2.219
122 HD1 PHE 18 HD1 PHE 18 2.786 2.836 -5.690
123 HD2 PHE 18 HD2 PHE 18 2.519 -0.090 -2.529
124 HE1 PHE 18 HE1 PHE 18 2.314 1.073 -7.359
125 HE2 PHE 18 HE2 PHE 18 2.025 -1.840 -4.197
126 HZ PHE 18 HZ PHE 18 1.920 -1.275 -6.619
127 H TYR 19 H TYR 19 2.324 2.369 0.120
128 HA TYR 19 HA TYR 19 0.696 -0.002 0.128
129 1HB TYR 19 1HB TYR 19 2.889 0.473 1.404
130 2HB TYR 19 2HB TYR 19 1.878 1.229 2.621
131 HD1 TYR 19 HD1 TYR 19 0.476 -0.127 4.072
132 HD2 TYR 19 HD2 TYR 19 2.447 -1.930 0.688
133 HE1 TYR 19 HE1 TYR 19 -0.417 -2.328 4.738
134 HE2 TYR 19 HE2 TYR 19 1.561 -4.138 1.331
135 HH TYR 19 HH TYR 19 -0.926 -4.467 3.836
136 H ASN 20 H ASN 20 0.384 3.090 1.845
137 HA ASN 20 HA ASN 20 -1.902 2.653 3.393
138 1HB ASN 20 1HB ASN 20 -0.828 5.152 2.021
139 2HB ASN 20 2HB ASN 20 -2.213 5.175 3.078
140 1HD2 ASN 20 2HD2 ASN 20 0.434 6.500 3.368
141 2HD2 ASN 20 1HD2 ASN 20 0.917 6.104 4.999
142 H ASP 21 H ASP 21 -1.656 3.378 -0.049
143 HA ASP 21 HA ASP 21 -4.326 4.234 -0.529
144 1HB ASP 21 1HB ASP 21 -2.073 4.236 -1.961
145 2HB ASP 21 2HB ASP 21 -2.742 2.757 -2.624
146 H LEU 22 H LEU 22 -2.828 0.979 -0.441
147 HA LEU 22 HA LEU 22 -4.986 -0.430 -1.615
148 1HB LEU 22 1HB LEU 22 -2.728 -1.374 -1.244
149 2HB LEU 22 2HB LEU 22 -2.989 -1.328 0.497
150 HG LEU 22 HG LEU 22 -4.830 -2.975 0.287
151 1HD1 LEU 22 1HD1 LEU 22 -5.606 -2.547 -2.016
152 2HD1 LEU 22 2HD1 LEU 22 -5.101 -4.228 -1.855
153 3HD1 LEU 22 3HD1 LEU 22 -4.031 -3.056 -2.666
154 1HD2 LEU 22 1HD2 LEU 22 -2.544 -3.693 0.753
155 2HD2 LEU 22 2HD2 LEU 22 -2.207 -3.834 -0.997
156 3HD2 LEU 22 3HD2 LEU 22 -3.410 -4.904 -0.222
157 H GLN 23 H GLN 23 -4.450 0.745 1.662
158 HA GLN 23 HA GLN 23 -6.753 -0.602 2.789
159 1HB GLN 23 1HB GLN 23 -4.963 1.596 3.866
160 2HB GLN 23 2HB GLN 23 -6.394 1.023 4.721
161 1HG GLN 23 1HG GLN 23 -4.503 -0.159 5.594
162 2HG GLN 23 2HG GLN 23 -5.517 -1.294 4.708
163 1HE2 GLN 23 2HE2 GLN 23 -2.534 0.741 4.359
164 2HE2 GLN 23 1HE2 GLN 23 -1.909 -0.220 3.014
165 H GLN 24 H GLN 24 -6.326 2.338 0.905
166 HA GLN 24 HA GLN 24 -8.733 3.658 1.903
167 1HB GLN 24 1HB GLN 24 -6.866 4.895 0.757
168 2HB GLN 24 2HB GLN 24 -7.288 4.074 -0.750
169 1HG GLN 24 1HG GLN 24 -9.585 5.002 -0.615
170 2HG GLN 24 2HG GLN 24 -9.145 5.859 0.867
171 1HE2 GLN 24 2HE2 GLN 24 -7.345 7.531 0.672
172 2HE2 GLN 24 1HE2 GLN 24 -7.173 8.354 -0.852
173 H TYR 25 H TYR 25 -7.820 1.593 -0.906
174 HA TYR 25 HA TYR 25 -10.521 1.245 -1.907
175 1HB TYR 25 1HB TYR 25 -8.402 1.020 -3.239
176 2HB TYR 25 2HB TYR 25 -7.946 -0.373 -2.267
177 HD1 TYR 25 HD1 TYR 25 -10.604 0.865 -4.660
178 HD2 TYR 25 HD2 TYR 25 -8.537 -2.520 -2.972
179 HE1 TYR 25 HE1 TYR 25 -11.856 -0.663 -6.173
180 HE2 TYR 25 HE2 TYR 25 -9.758 -4.035 -4.502
181 HH TYR 25 HH TYR 25 -11.169 -4.174 -6.307
182 H LEU 26 H LEU 26 -9.513 0.331 1.052
183 HA LEU 26 HA LEU 26 -11.270 -2.002 1.102
184 1HB LEU 26 1HB LEU 26 -9.179 -2.728 1.867
185 2HB LEU 26 2HB LEU 26 -8.772 -1.179 2.555
186 HG LEU 26 HG LEU 26 -10.327 -1.486 4.380
187 1HD1 LEU 26 1HD1 LEU 26 -11.959 -3.034 3.287
188 2HD1 LEU 26 2HD1 LEU 26 -11.373 -3.694 4.803
189 3HD1 LEU 26 3HD1 LEU 26 -10.725 -4.306 3.256
190 1HD2 LEU 26 1HD2 LEU 26 -8.997 -3.187 5.582
191 2HD2 LEU 26 2HD2 LEU 26 -7.966 -2.128 4.607
192 3HD2 LEU 26 3HD2 LEU 26 -8.341 -3.763 4.036
193 H ASN 27 H ASN 27 -10.235 0.752 3.180
194 HA ASN 27 HA ASN 27 -12.548 0.964 4.667
195 1HB ASN 27 1HB ASN 27 -10.536 2.219 5.211
196 2HB ASN 27 2HB ASN 27 -10.648 3.151 3.706
197 1HD2 ASN 27 2HD2 ASN 27 -11.615 5.214 3.940
198 2HD2 ASN 27 1HD2 ASN 27 -13.003 5.470 4.953
199 H VAL 28 H VAL 28 -11.953 2.556 1.543
200 HA VAL 28 HA VAL 28 -14.435 4.100 1.623
201 HB VAL 28 HB VAL 28 -12.516 3.455 -0.657
202 1HG1 VAL 28 1HG1 VAL 28 -13.545 5.281 -1.917
203 2HG1 VAL 28 2HG1 VAL 28 -14.733 4.009 -1.606
204 3HG1 VAL 28 3HG1 VAL 28 -14.766 5.495 -0.651
205 1HG2 VAL 28 1HG2 VAL 28 -11.545 4.865 1.149
206 2HG2 VAL 28 2HG2 VAL 28 -11.810 5.817 -0.312
207 3HG2 VAL 28 3HG2 VAL 28 -12.934 5.960 1.048
208 H VAL 29 H VAL 29 -13.408 1.003 0.212
209 HA VAL 29 HA VAL 29 -15.842 0.556 -1.136
210 HB VAL 29 HB VAL 29 -13.286 -0.493 -1.085
211 1HG1 VAL 29 1HG1 VAL 29 -15.179 -2.794 -0.322
212 2HG1 VAL 29 2HG1 VAL 29 -13.512 -2.941 -0.885
213 3HG1 VAL 29 3HG1 VAL 29 -13.832 -2.209 0.671
214 1HG2 VAL 29 1HG2 VAL 29 -14.013 -1.793 -3.005
215 2HG2 VAL 29 2HG2 VAL 29 -15.718 -1.709 -2.469
216 3HG2 VAL 29 3HG2 VAL 29 -14.886 -0.249 -3.000
217 H THR 30 H THR 30 -14.722 -0.641 2.007
218 HA THR 30 HA THR 30 -17.114 -1.940 2.613
219 HB THR 30 HB THR 30 -16.373 -1.671 4.905
220 HG1 THR 30 HG1 THR 30 -15.088 0.065 5.161
221 1HG2 THR 30 1HG2 THR 30 -14.350 -3.129 4.735
222 2HG2 THR 30 2HG2 THR 30 -14.228 -2.709 3.014
223 3HG2 THR 30 3HG2 THR 30 -15.621 -3.622 3.601
224 H ARG 31 H ARG 31 -16.334 1.469 2.777
225 HA ARG 31 HA ARG 31 -18.335 2.224 4.596
226 1HB ARG 31 1HB ARG 31 -16.383 3.630 3.669
227 2HB ARG 31 2HB ARG 31 -17.345 3.843 2.216
228 1HG ARG 31 1HG ARG 31 -17.461 5.794 3.548
229 2HG ARG 31 2HG ARG 31 -19.059 5.052 3.557
230 1HD ARG 31 1HD ARG 31 -17.030 4.521 5.757
231 2HD ARG 31 2HD ARG 31 -18.046 5.964 5.769
232 HE ARG 31 HE ARG 31 -19.843 3.928 5.357
233 1HH1 ARG 31 1HH1 ARG 31 -17.568 4.921 7.873
234 2HH1 ARG 31 2HH1 ARG 31 -18.343 4.089 9.166
235 1HH2 ARG 31 1HH2 ARG 31 -20.973 2.871 7.029
236 2HH2 ARG 31 2HH2 ARG 31 -20.542 3.094 8.690
237 H HIS 32 H HIS 32 -18.635 1.091 1.482
238 HA HIS 32 HA HIS 32 -21.551 1.545 1.420
239 1HB HIS 32 1HB HIS 32 -19.414 2.362 -0.500
240 2HB HIS 32 2HB HIS 32 -20.788 1.596 -1.227
241 HD1 HIS 32 HD1 HIS 32 -22.871 3.125 -1.651
242 HD2 HIS 32 HD2 HIS 32 -20.054 4.665 1.085
243 HE1 HIS 32 HE1 HIS 32 -23.634 5.463 -1.093
244 H ARG 33 H ARG 33 -19.387 -0.788 1.843
245 HA ARG 33 HA ARG 33 -21.118 -2.803 0.560
246 1HB ARG 33 1HB ARG 33 -18.978 -2.069 -0.885
247 2HB ARG 33 2HB ARG 33 -18.102 -3.040 0.290
248 1HG ARG 33 1HG ARG 33 -20.029 -4.854 -0.505
249 2HG ARG 33 2HG ARG 33 -19.961 -3.812 -1.907
250 1HD ARG 33 1HD ARG 33 -18.338 -5.461 -2.396
251 2HD ARG 33 2HD ARG 33 -17.369 -4.124 -1.802
252 HE ARG 33 HE ARG 33 -16.765 -5.385 0.038
253 1HH1 ARG 33 1HH1 ARG 33 -19.259 -7.157 -1.747
254 2HH1 ARG 33 2HH1 ARG 33 -19.186 -8.549 -0.729
255 1HH2 ARG 33 1HH2 ARG 33 -16.637 -7.165 1.308
256 2HH2 ARG 33 2HH2 ARG 33 -17.548 -8.632 0.991
257 H TYR 34 H TYR 34 -20.183 -1.962 3.339
258 HA TYR 34 HA TYR 34 -20.140 -4.746 4.325
259 1HB TYR 34 1HB TYR 34 -17.778 -3.387 4.096
260 2HB TYR 34 2HB TYR 34 -18.220 -2.951 5.736
261 HD1 TYR 34 HD1 TYR 34 -17.250 -4.387 7.367
262 HD2 TYR 34 HD2 TYR 34 -18.198 -5.975 3.458
263 HE1 TYR 34 HE1 TYR 34 -16.149 -6.513 7.963
264 HE2 TYR 34 HE2 TYR 34 -17.099 -8.096 4.043
265 HH TYR 34 HH TYR 34 -15.798 -9.199 5.601
266 1HN NH2 35 1H NH2 35 -20.129 -4.639 6.908
267 2HN NH2 35 2H NH2 35 -21.317 -3.518 7.540
268 3HM EAB 10 3HM AZT 10 15.935 3.842 1.454
269 2HM EAB 10 2HM AZT 10 15.788 5.093 2.678
270 HL EAB 10 HL AZT 10 12.954 3.981 3.753
271 HK2 EAB 10 HK2 AZT 10 12.639 2.376 5.610
272 HJ2 EAB 10 HJ2 AZT 10 14.376 0.705 6.128
273 HG1 EAB 10 HG1 AZT 10 17.413 -1.904 3.503
274 HG2 EAB 10 HG2 AZT 10 20.576 -4.145 5.391
275 HD2 EAB 10 HD2 AZT 10 20.365 -2.728 7.422
276 HE EAB 10 HE AZT 10 18.683 -0.896 7.496
277 2HA EAB 10 2HA AZT 10 19.985 -4.569 3.090
278 3HA EAB 10 3HA AZT 10 18.944 -3.423 2.201
279 1HN EAB 10 H AZT 10 18.065 -5.819 3.760
280 HJ1 EAB 10 HJ1 AZT 10 16.805 2.221 2.905
Start of MODEL 10
1 1H GLY 1 H GLY 1 12.687 3.760 -12.629
2 1HA GLY 1 1HA GLY 1 14.539 5.018 -13.732
3 2HA GLY 1 2HA GLY 1 13.700 6.489 -13.185
4 HA PRO 2 HA PRO 2 16.537 4.544 -9.853
5 1HB PRO 2 1HB PRO 2 18.625 6.371 -9.843
6 2HB PRO 2 2HB PRO 2 18.595 4.854 -10.790
7 1HG PRO 2 1HG PRO 2 17.892 7.649 -11.706
8 2HG PRO 2 2HG PRO 2 18.907 6.435 -12.541
9 1HD PRO 2 1HD PRO 2 16.301 6.821 -13.214
10 2HD PRO 2 2HD PRO 2 17.006 5.181 -13.204
11 H SER 3 H SER 3 15.059 7.558 -10.578
12 HA SER 3 HA SER 3 15.359 8.919 -8.079
13 1HB SER 3 1HB SER 3 13.080 9.910 -9.360
14 2HB SER 3 2HB SER 3 14.734 10.492 -9.559
15 HG SER 3 HG SER 3 13.273 8.750 -11.244
16 H GLN 4 H GLN 4 13.184 6.402 -9.339
17 HA GLN 4 HA GLN 4 11.963 6.106 -6.740
18 1HB GLN 4 1HB GLN 4 10.501 7.819 -7.953
19 2HB GLN 4 2HB GLN 4 10.130 6.559 -9.127
20 1HG GLN 4 1HG GLN 4 8.342 6.635 -7.525
21 2HG GLN 4 2HG GLN 4 9.221 5.151 -7.252
22 1HE2 GLN 4 2HE2 GLN 4 8.210 8.217 -5.872
23 2HE2 GLN 4 1HE2 GLN 4 9.055 8.059 -4.345
24 HA PRO 5 HA PRO 5 13.049 2.385 -9.288
25 1HB PRO 5 1HB PRO 5 14.626 1.089 -7.553
26 2HB PRO 5 2HB PRO 5 15.195 2.555 -8.401
27 1HG PRO 5 1HG PRO 5 14.066 2.391 -5.577
28 2HG PRO 5 2HG PRO 5 15.577 3.190 -6.123
29 1HD PRO 5 1HD PRO 5 13.174 4.511 -5.818
30 2HD PRO 5 2HD PRO 5 14.404 5.000 -7.011
31 H THR 6 H THR 6 10.615 2.366 -8.881
32 HA THR 6 HA THR 6 9.311 1.168 -6.832
33 HB THR 6 HB THR 6 8.608 1.093 -9.780
34 HG1 THR 6 HG1 THR 6 7.467 3.105 -8.590
35 1HG2 THR 6 1HG2 THR 6 6.735 1.185 -7.384
36 2HG2 THR 6 2HG2 THR 6 6.947 -0.177 -8.499
37 3HG2 THR 6 3HG2 THR 6 6.288 1.343 -9.084
38 H TYR 7 H TYR 7 11.483 -0.477 -8.846
39 HA TYR 7 HA TYR 7 10.489 -3.109 -7.864
40 1HB TYR 7 1HB TYR 7 10.050 -2.875 -10.304
41 2HB TYR 7 2HB TYR 7 11.767 -2.626 -10.574
42 HD1 TYR 7 HD1 TYR 7 13.328 -4.522 -10.469
43 HD2 TYR 7 HD2 TYR 7 9.220 -5.005 -9.215
44 HE1 TYR 7 HE1 TYR 7 13.644 -6.964 -10.405
45 HE2 TYR 7 HE2 TYR 7 9.500 -7.467 -9.227
46 HH TYR 7 HH TYR 7 10.932 -9.244 -9.763
47 HA PRO 8 HA PRO 8 14.632 -1.741 -6.354
48 1HB PRO 8 1HB PRO 8 14.325 -2.293 -3.706
49 2HB PRO 8 2HB PRO 8 13.632 -0.828 -4.465
50 1HG PRO 8 1HG PRO 8 12.228 -3.437 -3.827
51 2HG PRO 8 2HG PRO 8 11.675 -1.756 -3.546
52 1HD PRO 8 1HD PRO 8 10.914 -3.244 -5.725
53 2HD PRO 8 2HD PRO 8 11.048 -1.460 -5.730
54 H GLY 9 H GLY 9 15.587 -3.401 -7.572
55 1HA GLY 9 1HA GLY 9 15.444 -6.195 -6.678
56 2HA GLY 9 2HA GLY 9 16.435 -5.547 -8.005
57 HA PRO 11 HA PRO 11 12.520 4.854 -1.622
58 1HB PRO 11 1HB PRO 11 10.696 3.729 -3.210
59 2HB PRO 11 2HB PRO 11 12.393 3.893 -3.730
60 1HG PRO 11 1HG PRO 11 11.053 1.429 -2.549
61 2HG PRO 11 2HG PRO 11 12.060 1.542 -4.024
62 1HD PRO 11 1HD PRO 11 13.064 0.812 -1.577
63 2HD PRO 11 2HD PRO 11 14.045 1.696 -2.785
64 H VAL 12 H VAL 12 12.276 4.481 0.917
65 HA VAL 12 HA VAL 12 10.261 3.115 2.132
66 HB VAL 12 HB VAL 12 10.465 5.316 3.617
67 1HG1 VAL 12 1HG1 VAL 12 11.316 3.032 4.177
68 2HG1 VAL 12 2HG1 VAL 12 12.826 3.457 3.343
69 3HG1 VAL 12 3HG1 VAL 12 12.326 4.349 4.793
70 1HG2 VAL 12 1HG2 VAL 12 11.705 6.701 1.946
71 2HG2 VAL 12 2HG2 VAL 12 12.475 6.544 3.529
72 3HG2 VAL 12 3HG2 VAL 12 13.100 5.607 2.170
73 H GLU 13 H GLU 13 10.165 6.272 0.555
74 HA GLU 13 HA GLU 13 7.530 7.051 1.236
75 1HB GLU 13 1HB GLU 13 7.929 8.721 -0.569
76 2HB GLU 13 2HB GLU 13 9.249 8.626 0.596
77 1HG GLU 13 1HG GLU 13 10.682 7.448 -0.933
78 2HG GLU 13 2HG GLU 13 9.354 7.110 -2.050
79 H ASP 14 H ASP 14 8.616 4.782 -1.242
80 HA ASP 14 HA ASP 14 6.079 5.079 -2.802
81 1HB ASP 14 1HB ASP 14 8.254 4.979 -3.960
82 2HB ASP 14 2HB ASP 14 8.515 3.348 -3.289
83 H LEU 15 H LEU 15 7.962 2.943 -0.712
84 HA LEU 15 HA LEU 15 6.399 0.606 -0.840
85 1HB LEU 15 1HB LEU 15 8.694 1.484 0.538
86 2HB LEU 15 2HB LEU 15 7.544 1.261 1.833
87 HG LEU 15 HG LEU 15 8.868 -0.713 1.548
88 1HD1 LEU 15 1HD1 LEU 15 6.119 -1.343 0.407
89 2HD1 LEU 15 2HD1 LEU 15 6.458 -1.024 2.127
90 3HD1 LEU 15 3HD1 LEU 15 7.185 -2.415 1.317
91 1HD2 LEU 15 1HD2 LEU 15 7.887 -0.934 -1.334
92 2HD2 LEU 15 2HD2 LEU 15 8.968 -2.041 -0.480
93 3HD2 LEU 15 3HD2 LEU 15 9.505 -0.399 -0.828
94 H ILE 16 H ILE 16 6.231 3.432 1.352
95 HA ILE 16 HA ILE 16 3.741 2.498 2.560
96 HB ILE 16 HB ILE 16 3.767 4.553 3.824
97 1HG1 ILE 16 1HG1 ILE 16 5.938 5.503 1.935
98 2HG1 ILE 16 2HG1 ILE 16 4.359 6.202 2.215
99 1HG2 ILE 16 1HG2 ILE 16 6.464 3.186 3.601
100 2HG2 ILE 16 2HG2 ILE 16 5.971 4.194 4.965
101 3HG2 ILE 16 3HG2 ILE 16 5.095 2.703 4.594
102 1HD1 ILE 16 1HD1 ILE 16 6.687 6.207 4.159
103 2HD1 ILE 16 2HD1 ILE 16 5.968 7.579 3.312
104 3HD1 ILE 16 3HD1 ILE 16 5.039 6.746 4.569
105 H ARG 17 H ARG 17 4.473 4.379 -0.349
106 HA ARG 17 HA ARG 17 1.902 5.763 -0.294
107 1HB ARG 17 1HB ARG 17 3.633 6.816 -1.586
108 2HB ARG 17 2HB ARG 17 4.087 5.284 -2.327
109 1HG ARG 17 1HG ARG 17 3.164 6.721 -3.963
110 2HG ARG 17 2HG ARG 17 2.137 5.308 -3.780
111 1HD ARG 17 1HD ARG 17 0.391 6.510 -2.844
112 2HD ARG 17 2HD ARG 17 1.470 7.754 -2.163
113 HE ARG 17 HE ARG 17 1.850 8.143 -4.779
114 1HH1 ARG 17 1HH1 ARG 17 -1.292 7.627 -3.126
115 2HH1 ARG 17 2HH1 ARG 17 -2.079 8.887 -3.964
116 1HH2 ARG 17 1HH2 ARG 17 0.695 9.921 -5.902
117 2HH2 ARG 17 2HH2 ARG 17 -0.910 10.303 -5.366
118 H PHE 18 H PHE 18 3.093 2.844 -1.542
119 HA PHE 18 HA PHE 18 0.750 2.127 -2.988
120 1HB PHE 18 1HB PHE 18 3.087 1.093 -3.068
121 2HB PHE 18 2HB PHE 18 2.654 0.161 -1.639
122 HD1 PHE 18 HD1 PHE 18 1.698 0.922 -5.170
123 HD2 PHE 18 HD2 PHE 18 1.488 -1.941 -1.944
124 HE1 PHE 18 HE1 PHE 18 0.867 -0.816 -6.756
125 HE2 PHE 18 HE2 PHE 18 0.689 -3.664 -3.551
126 HZ PHE 18 HZ PHE 18 0.379 -3.091 -5.946
127 H TYR 19 H TYR 19 1.778 1.537 0.359
128 HA TYR 19 HA TYR 19 -0.542 0.029 1.071
129 1HB TYR 19 1HB TYR 19 1.875 0.260 2.190
130 2HB TYR 19 2HB TYR 19 1.036 1.428 3.203
131 HD1 TYR 19 HD1 TYR 19 -0.849 0.673 4.684
132 HD2 TYR 19 HD2 TYR 19 1.222 -2.097 2.092
133 HE1 TYR 19 HE1 TYR 19 -2.017 -1.206 5.765
134 HE2 TYR 19 HE2 TYR 19 0.076 -3.980 3.186
135 HH TYR 19 HH TYR 19 -2.251 -3.506 5.864
136 H ASN 20 H ASN 20 0.299 3.480 1.562
137 HA ASN 20 HA ASN 20 -1.988 4.113 3.162
138 1HB ASN 20 1HB ASN 20 -0.018 5.751 1.549
139 2HB ASN 20 2HB ASN 20 -1.459 6.485 2.229
140 1HD2 ASN 20 2HD2 ASN 20 1.743 5.620 3.003
141 2HD2 ASN 20 1HD2 ASN 20 1.573 6.124 4.710
142 H ASP 21 H ASP 21 -1.626 3.559 -0.245
143 HA ASP 21 HA ASP 21 -4.155 4.911 -0.982
144 1HB ASP 21 1HB ASP 21 -1.916 3.511 -2.470
145 2HB ASP 21 2HB ASP 21 -3.505 3.682 -3.201
146 H LEU 22 H LEU 22 -2.714 1.624 -0.807
147 HA LEU 22 HA LEU 22 -4.854 0.048 -1.507
148 1HB LEU 22 1HB LEU 22 -2.611 -0.801 -1.170
149 2HB LEU 22 2HB LEU 22 -2.651 -0.367 0.538
150 HG LEU 22 HG LEU 22 -4.400 -2.078 0.953
151 1HD1 LEU 22 1HD1 LEU 22 -5.466 -2.251 -1.228
152 2HD1 LEU 22 2HD1 LEU 22 -4.743 -3.810 -0.819
153 3HD1 LEU 22 3HD1 LEU 22 -3.934 -2.750 -1.986
154 1HD2 LEU 22 1HD2 LEU 22 -2.881 -4.014 0.689
155 2HD2 LEU 22 2HD2 LEU 22 -2.037 -2.587 1.307
156 3HD2 LEU 22 3HD2 LEU 22 -1.856 -3.049 -0.396
157 H GLN 23 H GLN 23 -4.093 1.162 1.844
158 HA GLN 23 HA GLN 23 -6.257 -0.102 3.141
159 1HB GLN 23 1HB GLN 23 -5.957 1.578 4.914
160 2HB GLN 23 2HB GLN 23 -4.400 0.971 4.345
161 1HG GLN 23 1HG GLN 23 -4.080 3.002 2.989
162 2HG GLN 23 2HG GLN 23 -5.651 3.623 3.475
163 1HE2 GLN 23 2HE2 GLN 23 -4.211 5.558 4.090
164 2HE2 GLN 23 1HE2 GLN 23 -3.596 5.520 5.720
165 H GLN 24 H GLN 24 -6.296 2.890 1.234
166 HA GLN 24 HA GLN 24 -8.812 3.807 2.186
167 1HB GLN 24 1HB GLN 24 -6.817 4.865 0.715
168 2HB GLN 24 2HB GLN 24 -7.925 4.461 -0.595
169 1HG GLN 24 1HG GLN 24 -9.747 5.747 0.507
170 2HG GLN 24 2HG GLN 24 -8.705 6.061 1.893
171 1HE2 GLN 24 2HE2 GLN 24 -7.805 6.217 -1.597
172 2HE2 GLN 24 1HE2 GLN 24 -7.362 7.912 -1.545
173 H TYR 25 H TYR 25 -8.025 1.213 0.180
174 HA TYR 25 HA TYR 25 -10.406 1.143 -1.556
175 1HB TYR 25 1HB TYR 25 -8.211 -0.159 -1.906
176 2HB TYR 25 2HB TYR 25 -8.731 -1.229 -0.615
177 HD1 TYR 25 HD1 TYR 25 -9.450 0.032 -4.020
178 HD2 TYR 25 HD2 TYR 25 -10.563 -2.843 -0.993
179 HE1 TYR 25 HE1 TYR 25 -10.763 -1.198 -5.692
180 HE2 TYR 25 HE2 TYR 25 -11.881 -4.097 -2.673
181 HH TYR 25 HH TYR 25 -11.908 -3.172 -6.141
182 H LEU 26 H LEU 26 -9.629 -1.039 1.313
183 HA LEU 26 HA LEU 26 -12.297 -1.474 1.730
184 1HB LEU 26 1HB LEU 26 -11.395 -2.976 3.141
185 2HB LEU 26 2HB LEU 26 -9.856 -2.396 2.643
186 HG LEU 26 HG LEU 26 -9.928 -0.748 4.641
187 1HD1 LEU 26 1HD1 LEU 26 -12.326 -1.116 5.349
188 2HD1 LEU 26 2HD1 LEU 26 -11.204 -1.606 6.607
189 3HD1 LEU 26 3HD1 LEU 26 -11.985 -2.828 5.585
190 1HD2 LEU 26 1HD2 LEU 26 -8.427 -2.670 4.456
191 2HD2 LEU 26 2HD2 LEU 26 -9.691 -3.756 5.071
192 3HD2 LEU 26 3HD2 LEU 26 -9.001 -2.486 6.112
193 H ASN 27 H ASN 27 -10.341 1.165 3.146
194 HA ASN 27 HA ASN 27 -12.308 1.951 5.017
195 1HB ASN 27 1HB ASN 27 -9.784 2.826 4.401
196 2HB ASN 27 2HB ASN 27 -10.728 4.153 3.722
197 1HD2 ASN 27 2HD2 ASN 27 -8.875 4.273 5.922
198 2HD2 ASN 27 1HD2 ASN 27 -9.744 4.513 7.438
199 H VAL 28 H VAL 28 -12.519 2.145 1.616
200 HA VAL 28 HA VAL 28 -14.836 4.009 1.861
201 HB VAL 28 HB VAL 28 -12.805 3.813 -0.400
202 1HG1 VAL 28 1HG1 VAL 28 -15.428 5.316 -0.196
203 2HG1 VAL 28 2HG1 VAL 28 -14.138 5.739 -1.374
204 3HG1 VAL 28 3HG1 VAL 28 -14.928 4.154 -1.448
205 1HG2 VAL 28 1HG2 VAL 28 -12.362 6.201 0.133
206 2HG2 VAL 28 2HG2 VAL 28 -13.506 6.102 1.503
207 3HG2 VAL 28 3HG2 VAL 28 -11.992 5.159 1.521
208 H VAL 29 H VAL 29 -13.464 1.589 -0.413
209 HA VAL 29 HA VAL 29 -15.784 0.992 -1.743
210 HB VAL 29 HB VAL 29 -13.252 -0.623 -1.358
211 1HG1 VAL 29 1HG1 VAL 29 -15.496 -0.947 -3.400
212 2HG1 VAL 29 2HG1 VAL 29 -13.927 -1.785 -3.430
213 3HG1 VAL 29 3HG1 VAL 29 -15.076 -2.124 -2.130
214 1HG2 VAL 29 1HG2 VAL 29 -14.188 1.260 -3.556
215 2HG2 VAL 29 2HG2 VAL 29 -12.878 1.565 -2.396
216 3HG2 VAL 29 3HG2 VAL 29 -12.709 0.274 -3.584
217 H THR 30 H THR 30 -14.541 -1.186 0.768
218 HA THR 30 HA THR 30 -17.043 -2.532 0.798
219 HB THR 30 HB THR 30 -16.076 -3.676 2.660
220 HG1 THR 30 HG1 THR 30 -14.153 -3.253 3.476
221 1HG2 THR 30 1HG2 THR 30 -15.580 -4.515 0.402
222 2HG2 THR 30 2HG2 THR 30 -14.150 -4.744 1.423
223 3HG2 THR 30 3HG2 THR 30 -14.190 -3.410 0.267
224 H ARG 31 H ARG 31 -15.649 0.102 2.682
225 HA ARG 31 HA ARG 31 -17.679 0.135 4.655
226 1HB ARG 31 1HB ARG 31 -15.356 1.342 4.564
227 2HB ARG 31 2HB ARG 31 -16.227 2.645 3.735
228 1HG ARG 31 1HG ARG 31 -17.744 2.854 5.720
229 2HG ARG 31 2HG ARG 31 -16.929 1.469 6.457
230 1HD ARG 31 1HD ARG 31 -16.017 3.359 7.499
231 2HD ARG 31 2HD ARG 31 -14.769 2.796 6.377
232 HE ARG 31 HE ARG 31 -15.749 4.579 4.799
233 1HH1 ARG 31 1HH1 ARG 31 -14.708 4.845 8.131
234 2HH1 ARG 31 2HH1 ARG 31 -14.671 6.594 8.112
235 1HH2 ARG 31 1HH2 ARG 31 -15.658 6.921 4.767
236 2HH2 ARG 31 2HH2 ARG 31 -15.137 7.722 6.222
237 H HIS 32 H HIS 32 -17.837 1.045 1.460
238 HA HIS 32 HA HIS 32 -20.273 2.696 1.588
239 1HB HIS 32 1HB HIS 32 -18.243 1.967 -0.562
240 2HB HIS 32 2HB HIS 32 -19.824 2.470 -1.028
241 HD1 HIS 32 HD1 HIS 32 -18.972 4.790 -2.083
242 HD2 HIS 32 HD2 HIS 32 -17.977 4.154 1.954
243 HE1 HIS 32 HE1 HIS 32 -18.650 7.101 -1.041
244 H ARG 33 H ARG 33 -19.873 -0.415 2.105
245 HA ARG 33 HA ARG 33 -21.158 -2.271 1.975
246 1HB ARG 33 1HB ARG 33 -23.399 -0.709 0.688
247 2HB ARG 33 2HB ARG 33 -23.491 -2.149 1.699
248 1HG ARG 33 1HG ARG 33 -22.655 -0.678 3.612
249 2HG ARG 33 2HG ARG 33 -22.800 0.704 2.536
250 1HD ARG 33 1HD ARG 33 -25.032 -1.136 3.424
251 2HD ARG 33 2HD ARG 33 -24.798 0.523 3.955
252 HE ARG 33 HE ARG 33 -26.136 -0.419 1.618
253 1HH1 ARG 33 1HH1 ARG 33 -24.169 2.337 2.817
254 2HH1 ARG 33 2HH1 ARG 33 -24.780 3.417 1.607
255 1HH2 ARG 33 1HH2 ARG 33 -26.803 1.093 -0.092
256 2HH2 ARG 33 2HH2 ARG 33 -26.298 2.739 0.019
257 H TYR 34 H TYR 34 -19.285 -2.527 0.343
258 HA TYR 34 HA TYR 34 -20.436 -3.543 -2.085
259 1HB TYR 34 1HB TYR 34 -19.816 -1.002 -2.446
260 2HB TYR 34 2HB TYR 34 -18.154 -1.582 -2.432
261 HD1 TYR 34 HD1 TYR 34 -17.238 -1.989 -4.570
262 HD2 TYR 34 HD2 TYR 34 -21.476 -2.534 -3.958
263 HE1 TYR 34 HE1 TYR 34 -17.516 -2.622 -6.952
264 HE2 TYR 34 HE2 TYR 34 -21.735 -3.234 -6.307
265 HH TYR 34 HH TYR 34 -20.638 -3.740 -8.303
266 1HN NH2 35 1H NH2 35 -18.153 -4.304 -3.436
267 2HN NH2 35 2H NH2 35 -17.163 -5.254 -2.347
268 3HM EAB 10 3HM AZT 10 15.635 1.696 -0.747
269 2HM EAB 10 2HM AZT 10 15.729 2.336 0.890
270 HL EAB 10 HL AZT 10 12.899 1.766 1.889
271 HK2 EAB 10 HK2 AZT 10 11.847 -0.302 2.723
272 HJ2 EAB 10 HJ2 AZT 10 12.706 -2.523 2.018
273 HG1 EAB 10 HG1 AZT 10 16.493 -3.714 -2.817
274 HG2 EAB 10 HG2 AZT 10 18.291 -7.456 -1.647
275 HD2 EAB 10 HD2 AZT 10 17.313 -7.215 0.618
276 HE EAB 10 HE AZT 10 15.966 -5.210 1.183
277 2HA EAB 10 2HA AZT 10 18.678 -6.620 -3.773
278 3HA EAB 10 3HA AZT 10 18.805 -4.850 -3.861
279 1HN EAB 10 H AZT 10 16.232 -6.141 -4.552
280 HJ1 EAB 10 HJ1 AZT 10 15.693 -0.570 -0.397
Start of MODEL 11
1 1H GLY 1 H GLY 1 12.079 -9.490 -3.377
2 1HA GLY 1 1HA GLY 1 10.671 -7.513 -3.431
3 2HA GLY 1 2HA GLY 1 9.723 -8.216 -2.109
4 HA PRO 2 HA PRO 2 12.551 -5.678 0.298
5 1HB PRO 2 1HB PRO 2 11.549 -6.108 2.793
6 2HB PRO 2 2HB PRO 2 10.680 -5.140 1.565
7 1HG PRO 2 1HG PRO 2 10.253 -8.043 2.302
8 2HG PRO 2 2HG PRO 2 9.017 -6.755 2.109
9 1HD PRO 2 1HD PRO 2 9.678 -8.549 0.128
10 2HD PRO 2 2HD PRO 2 9.144 -6.874 -0.236
11 H SER 3 H SER 3 13.900 -6.226 2.517
12 HA SER 3 HA SER 3 14.899 -9.013 2.266
13 1HB SER 3 1HB SER 3 16.417 -6.378 2.439
14 2HB SER 3 2HB SER 3 17.165 -7.948 2.800
15 HG SER 3 HG SER 3 17.229 -7.020 0.558
16 H GLN 4 H GLN 4 15.048 -10.091 4.046
17 HA GLN 4 HA GLN 4 15.025 -10.749 6.155
18 1HB GLN 4 1HB GLN 4 15.997 -7.961 6.896
19 2HB GLN 4 2HB GLN 4 16.204 -9.431 7.829
20 1HG GLN 4 1HG GLN 4 17.664 -10.397 6.112
21 2HG GLN 4 2HG GLN 4 17.489 -8.952 5.108
22 1HE2 GLN 4 2HE2 GLN 4 20.027 -10.066 6.236
23 2HE2 GLN 4 1HE2 GLN 4 20.614 -8.763 7.250
24 HA PRO 5 HA PRO 5 11.075 -9.618 7.755
25 1HB PRO 5 1HB PRO 5 11.066 -10.401 10.370
26 2HB PRO 5 2HB PRO 5 11.189 -11.564 9.013
27 1HG PRO 5 1HG PRO 5 13.451 -10.342 10.627
28 2HG PRO 5 2HG PRO 5 13.162 -12.086 10.310
29 1HD PRO 5 1HD PRO 5 14.888 -10.632 8.838
30 2HD PRO 5 2HD PRO 5 13.857 -11.866 8.060
31 H THR 6 H THR 6 10.069 -8.372 9.940
32 HA THR 6 HA THR 6 11.830 -6.166 10.679
33 HB THR 6 HB THR 6 10.683 -5.651 8.474
34 HG1 THR 6 HG1 THR 6 11.439 -4.030 9.768
35 1HG2 THR 6 1HG2 THR 6 8.146 -5.502 10.162
36 2HG2 THR 6 2HG2 THR 6 8.493 -6.733 8.948
37 3HG2 THR 6 3HG2 THR 6 8.311 -5.051 8.457
38 H TYR 7 H TYR 7 11.187 -5.077 12.576
39 HA TYR 7 HA TYR 7 8.978 -6.237 14.146
40 1HB TYR 7 1HB TYR 7 11.919 -6.527 14.621
41 2HB TYR 7 2HB TYR 7 11.015 -5.945 15.988
42 HD1 TYR 7 HD1 TYR 7 10.116 -7.488 17.505
43 HD2 TYR 7 HD2 TYR 7 10.795 -8.680 13.408
44 HE1 TYR 7 HE1 TYR 7 9.350 -9.754 18.023
45 HE2 TYR 7 HE2 TYR 7 9.977 -10.946 13.922
46 HH TYR 7 HH TYR 7 8.839 -11.866 17.209
47 HA PRO 8 HA PRO 8 8.512 -2.032 15.380
48 1HB PRO 8 1HB PRO 8 7.487 -2.105 17.890
49 2HB PRO 8 2HB PRO 8 6.633 -2.799 16.480
50 1HG PRO 8 1HG PRO 8 8.367 -4.274 18.491
51 2HG PRO 8 2HG PRO 8 6.723 -4.704 17.926
52 1HD PRO 8 1HD PRO 8 8.965 -5.793 16.861
53 2HD PRO 8 2HD PRO 8 7.512 -5.481 15.874
54 H GLY 9 H GLY 9 10.909 -1.648 15.192
55 1HA GLY 9 1HA GLY 9 12.125 0.059 16.581
56 2HA GLY 9 2HA GLY 9 12.237 -1.164 17.833
57 HA PRO 11 HA PRO 11 12.095 8.014 5.076
58 1HB PRO 11 1HB PRO 11 12.283 7.032 2.539
59 2HB PRO 11 2HB PRO 11 13.760 7.406 3.469
60 1HG PRO 11 1HG PRO 11 12.422 4.702 3.208
61 2HG PRO 11 2HG PRO 11 14.140 5.116 2.870
62 1HD PRO 11 1HD PRO 11 13.358 4.085 5.256
63 2HD PRO 11 2HD PRO 11 14.590 5.380 5.163
64 H VAL 12 H VAL 12 10.509 6.464 6.604
65 HA VAL 12 HA VAL 12 8.599 4.679 5.572
66 HB VAL 12 HB VAL 12 8.696 6.297 8.142
67 1HG1 VAL 12 1HG1 VAL 12 6.456 5.304 7.838
68 2HG1 VAL 12 2HG1 VAL 12 7.209 3.703 7.612
69 3HG1 VAL 12 3HG1 VAL 12 7.355 4.555 9.165
70 1HG2 VAL 12 1HG2 VAL 12 10.667 4.982 8.052
71 2HG2 VAL 12 2HG2 VAL 12 9.590 4.169 9.134
72 3HG2 VAL 12 3HG2 VAL 12 9.793 3.541 7.480
73 H GLU 13 H GLU 13 8.408 8.240 6.187
74 HA GLU 13 HA GLU 13 5.691 8.475 5.893
75 1HB GLU 13 1HB GLU 13 6.145 10.873 5.375
76 2HB GLU 13 2HB GLU 13 7.215 10.294 6.632
77 1HG GLU 13 1HG GLU 13 8.964 9.869 4.809
78 2HG GLU 13 2HG GLU 13 7.897 10.725 3.702
79 H ASP 14 H ASP 14 7.922 7.962 3.251
80 HA ASP 14 HA ASP 14 5.703 8.370 1.287
81 1HB ASP 14 1HB ASP 14 8.708 8.160 0.964
82 2HB ASP 14 2HB ASP 14 7.569 8.211 -0.390
83 H LEU 15 H LEU 15 7.109 5.926 3.075
84 HA LEU 15 HA LEU 15 6.822 3.785 1.075
85 1HB LEU 15 1HB LEU 15 8.738 3.900 2.753
86 2HB LEU 15 2HB LEU 15 7.540 3.699 4.029
87 HG LEU 15 HG LEU 15 6.977 1.482 3.239
88 1HD1 LEU 15 1HD1 LEU 15 8.356 0.349 1.496
89 2HD1 LEU 15 2HD1 LEU 15 9.081 1.915 1.082
90 3HD1 LEU 15 3HD1 LEU 15 7.343 1.633 0.823
91 1HD2 LEU 15 1HD2 LEU 15 9.040 0.385 3.882
92 2HD2 LEU 15 2HD2 LEU 15 8.889 1.902 4.802
93 3HD2 LEU 15 3HD2 LEU 15 9.992 1.817 3.425
94 H ILE 16 H ILE 16 5.320 5.032 4.133
95 HA ILE 16 HA ILE 16 3.337 2.940 4.098
96 HB ILE 16 HB ILE 16 2.198 4.149 5.834
97 1HG1 ILE 16 1HG1 ILE 16 4.154 6.435 5.400
98 2HG1 ILE 16 2HG1 ILE 16 2.406 6.467 5.138
99 1HG2 ILE 16 1HG2 ILE 16 5.197 4.101 6.269
100 2HG2 ILE 16 2HG2 ILE 16 3.940 3.900 7.509
101 3HG2 ILE 16 3HG2 ILE 16 4.146 2.677 6.253
102 1HD1 ILE 16 1HD1 ILE 16 3.825 6.167 7.809
103 2HD1 ILE 16 2HD1 ILE 16 2.876 7.541 7.238
104 3HD1 ILE 16 3HD1 ILE 16 2.067 6.003 7.578
105 H ARG 17 H ARG 17 3.310 6.353 2.854
106 HA ARG 17 HA ARG 17 0.628 6.230 2.056
107 1HB ARG 17 1HB ARG 17 2.034 8.278 2.199
108 2HB ARG 17 2HB ARG 17 2.907 7.786 0.739
109 1HG ARG 17 1HG ARG 17 0.936 8.023 -0.630
110 2HG ARG 17 2HG ARG 17 -0.121 8.212 0.779
111 1HD ARG 17 1HD ARG 17 2.055 10.165 -0.085
112 2HD ARG 17 2HD ARG 17 0.321 10.356 -0.388
113 HE ARG 17 HE ARG 17 0.478 9.925 2.332
114 1HH1 ARG 17 1HH1 ARG 17 2.278 12.283 0.337
115 2HH1 ARG 17 2HH1 ARG 17 2.253 13.475 1.570
116 1HH2 ARG 17 1HH2 ARG 17 0.618 11.445 3.941
117 2HH2 ARG 17 2HH2 ARG 17 1.211 13.044 3.613
118 H PHE 18 H PHE 18 3.295 4.822 0.517
119 HA PHE 18 HA PHE 18 2.014 4.410 -2.064
120 1HB PHE 18 1HB PHE 18 4.470 4.379 -1.788
121 2HB PHE 18 2HB PHE 18 4.362 2.970 -0.738
122 HD1 PHE 18 HD1 PHE 18 3.402 4.136 -4.177
123 HD2 PHE 18 HD2 PHE 18 4.464 0.779 -1.688
124 HE1 PHE 18 HE1 PHE 18 3.545 2.704 -6.177
125 HE2 PHE 18 HE2 PHE 18 4.494 -0.681 -3.690
126 HZ PHE 18 HZ PHE 18 4.065 0.280 -5.952
127 H TYR 19 H TYR 19 2.361 2.504 0.906
128 HA TYR 19 HA TYR 19 1.013 0.170 -0.231
129 1HB TYR 19 1HB TYR 19 2.878 0.345 1.587
130 2HB TYR 19 2HB TYR 19 1.585 0.688 2.705
131 HD1 TYR 19 HD1 TYR 19 0.976 -1.178 3.990
132 HD2 TYR 19 HD2 TYR 19 2.197 -1.805 -0.109
133 HE1 TYR 19 HE1 TYR 19 0.646 -3.619 4.252
134 HE2 TYR 19 HE2 TYR 19 1.849 -4.227 0.159
135 HH TYR 19 HH TYR 19 1.105 -5.952 1.582
136 H ASN 20 H ASN 20 0.204 2.816 1.957
137 HA ASN 20 HA ASN 20 -2.330 1.800 2.819
138 1HB ASN 20 1HB ASN 20 -1.048 4.549 2.935
139 2HB ASN 20 2HB ASN 20 -2.700 4.269 3.416
140 1HD2 ASN 20 2HD2 ASN 20 0.565 2.993 4.046
141 2HD2 ASN 20 1HD2 ASN 20 0.112 2.172 5.521
142 H ASP 21 H ASP 21 -1.358 3.338 -0.185
143 HA ASP 21 HA ASP 21 -3.890 4.452 -0.923
144 1HB ASP 21 1HB ASP 21 -1.983 5.085 -2.203
145 2HB ASP 21 2HB ASP 21 -1.524 3.411 -2.500
146 H LEU 22 H LEU 22 -2.473 1.157 -1.408
147 HA LEU 22 HA LEU 22 -4.700 0.154 -2.870
148 1HB LEU 22 1HB LEU 22 -2.713 -1.311 -1.098
149 2HB LEU 22 2HB LEU 22 -3.880 -2.110 -2.159
150 HG LEU 22 HG LEU 22 -1.671 -0.243 -3.106
151 1HD1 LEU 22 1HD1 LEU 22 -0.782 -2.352 -2.232
152 2HD1 LEU 22 2HD1 LEU 22 -0.629 -2.278 -3.983
153 3HD1 LEU 22 3HD1 LEU 22 -1.920 -3.275 -3.278
154 1HD2 LEU 22 1HD2 LEU 22 -3.649 -1.954 -4.678
155 2HD2 LEU 22 2HD2 LEU 22 -2.237 -1.134 -5.377
156 3HD2 LEU 22 3HD2 LEU 22 -3.546 -0.178 -4.682
157 H GLN 23 H GLN 23 -4.356 0.732 0.553
158 HA GLN 23 HA GLN 23 -6.562 -1.054 1.354
159 1HB GLN 23 1HB GLN 23 -5.306 1.296 2.790
160 2HB GLN 23 2HB GLN 23 -6.412 0.143 3.510
161 1HG GLN 23 1HG GLN 23 -4.764 -1.663 3.287
162 2HG GLN 23 2HG GLN 23 -3.619 -0.546 2.513
163 1HE2 GLN 23 2HE2 GLN 23 -4.250 1.771 4.202
164 2HE2 GLN 23 1HE2 GLN 23 -3.356 1.497 5.652
165 H GLN 24 H GLN 24 -6.483 1.901 -0.451
166 HA GLN 24 HA GLN 24 -8.655 3.260 0.842
167 1HB GLN 24 1HB GLN 24 -6.995 4.235 -0.789
168 2HB GLN 24 2HB GLN 24 -7.882 3.439 -2.089
169 1HG GLN 24 1HG GLN 24 -9.900 4.674 -1.577
170 2HG GLN 24 2HG GLN 24 -9.217 5.272 -0.057
171 1HE2 GLN 24 2HE2 GLN 24 -9.925 7.387 -0.871
172 2HE2 GLN 24 1HE2 GLN 24 -8.949 8.264 -2.007
173 H TYR 25 H TYR 25 -8.387 0.709 -1.598
174 HA TYR 25 HA TYR 25 -11.216 0.564 -2.195
175 1HB TYR 25 1HB TYR 25 -9.099 -0.449 -3.461
176 2HB TYR 25 2HB TYR 25 -9.431 -1.844 -2.449
177 HD1 TYR 25 HD1 TYR 25 -10.477 0.150 -5.322
178 HD2 TYR 25 HD2 TYR 25 -11.682 -3.048 -2.698
179 HE1 TYR 25 HE1 TYR 25 -12.308 -0.423 -6.882
180 HE2 TYR 25 HE2 TYR 25 -13.569 -3.581 -4.216
181 HH TYR 25 HH TYR 25 -14.009 -1.969 -7.373
182 H LEU 26 H LEU 26 -9.690 -0.146 0.814
183 HA LEU 26 HA LEU 26 -11.794 -2.087 1.446
184 1HB LEU 26 1HB LEU 26 -8.976 -1.499 2.310
185 2HB LEU 26 2HB LEU 26 -10.101 -1.661 3.606
186 HG LEU 26 HG LEU 26 -9.580 -3.714 1.452
187 1HD1 LEU 26 1HD1 LEU 26 -7.761 -3.248 3.140
188 2HD1 LEU 26 2HD1 LEU 26 -8.292 -4.914 3.065
189 3HD1 LEU 26 3HD1 LEU 26 -8.847 -3.855 4.402
190 1HD2 LEU 26 1HD2 LEU 26 -11.270 -3.983 3.999
191 2HD2 LEU 26 2HD2 LEU 26 -10.896 -5.302 2.868
192 3HD2 LEU 26 3HD2 LEU 26 -11.909 -3.977 2.346
193 H ASN 27 H ASN 27 -10.076 0.672 2.911
194 HA ASN 27 HA ASN 27 -11.915 1.590 4.674
195 1HB ASN 27 1HB ASN 27 -9.618 2.412 4.312
196 2HB ASN 27 2HB ASN 27 -10.117 3.226 2.833
197 1HD2 ASN 27 2HD2 ASN 27 -9.864 5.350 3.370
198 2HD2 ASN 27 1HD2 ASN 27 -10.344 6.060 4.863
199 H VAL 28 H VAL 28 -12.018 2.510 1.182
200 HA VAL 28 HA VAL 28 -14.337 4.221 1.669
201 HB VAL 28 HB VAL 28 -13.021 3.296 -0.904
202 1HG1 VAL 28 1HG1 VAL 28 -15.129 5.436 -0.464
203 2HG1 VAL 28 2HG1 VAL 28 -14.209 5.214 -1.961
204 3HG1 VAL 28 3HG1 VAL 28 -15.320 3.949 -1.419
205 1HG2 VAL 28 1HG2 VAL 28 -12.847 5.899 0.674
206 2HG2 VAL 28 2HG2 VAL 28 -11.543 4.711 0.499
207 3HG2 VAL 28 3HG2 VAL 28 -12.103 5.620 -0.915
208 H VAL 29 H VAL 29 -13.851 0.965 0.160
209 HA VAL 29 HA VAL 29 -16.566 0.668 -0.542
210 HB VAL 29 HB VAL 29 -14.145 -0.552 -1.002
211 1HG1 VAL 29 1HG1 VAL 29 -14.329 -2.156 0.835
212 2HG1 VAL 29 2HG1 VAL 29 -15.918 -2.713 0.222
213 3HG1 VAL 29 3HG1 VAL 29 -14.442 -2.966 -0.731
214 1HG2 VAL 29 1HG2 VAL 29 -15.974 -0.214 -2.618
215 2HG2 VAL 29 2HG2 VAL 29 -15.306 -1.846 -2.705
216 3HG2 VAL 29 3HG2 VAL 29 -16.857 -1.580 -1.894
217 H THR 30 H THR 30 -14.810 -0.349 2.344
218 HA THR 30 HA THR 30 -16.918 -1.748 3.544
219 HB THR 30 HB THR 30 -15.667 -1.287 5.591
220 HG1 THR 30 HG1 THR 30 -13.755 -0.058 3.953
221 1HG2 THR 30 1HG2 THR 30 -14.031 -2.322 3.250
222 2HG2 THR 30 2HG2 THR 30 -15.110 -3.240 4.275
223 3HG2 THR 30 3HG2 THR 30 -13.620 -2.557 4.955
224 H ARG 31 H ARG 31 -16.243 1.736 3.514
225 HA ARG 31 HA ARG 31 -18.265 2.367 5.399
226 1HB ARG 31 1HB ARG 31 -16.457 3.905 4.737
227 2HB ARG 31 2HB ARG 31 -17.225 4.139 3.160
228 1HG ARG 31 1HG ARG 31 -19.192 5.176 4.234
229 2HG ARG 31 2HG ARG 31 -18.530 4.839 5.846
230 1HD ARG 31 1HD ARG 31 -17.298 6.677 3.738
231 2HD ARG 31 2HD ARG 31 -18.226 7.208 5.140
232 HE ARG 31 HE ARG 31 -15.511 6.022 5.110
233 1HH1 ARG 31 1HH1 ARG 31 -18.121 7.255 7.256
234 2HH1 ARG 31 2HH1 ARG 31 -16.992 7.490 8.554
235 1HH2 ARG 31 1HH2 ARG 31 -14.232 6.167 6.857
236 2HH2 ARG 31 2HH2 ARG 31 -14.790 6.824 8.370
237 H HIS 32 H HIS 32 -18.638 1.353 2.251
238 HA HIS 32 HA HIS 32 -21.443 2.224 1.999
239 1HB HIS 32 1HB HIS 32 -19.412 0.936 0.179
240 2HB HIS 32 2HB HIS 32 -21.100 0.688 -0.138
241 HD1 HIS 32 HD1 HIS 32 -22.564 2.850 -0.827
242 HD2 HIS 32 HD2 HIS 32 -18.455 3.432 -0.075
243 HE1 HIS 32 HE1 HIS 32 -21.951 5.020 -2.006
244 H ARG 33 H ARG 33 -20.105 0.002 3.886
245 HA ARG 33 HA ARG 33 -20.873 -1.784 5.012
246 1HB ARG 33 1HB ARG 33 -23.062 -0.713 5.069
247 2HB ARG 33 2HB ARG 33 -23.492 -1.417 3.516
248 1HG ARG 33 1HG ARG 33 -23.253 -3.692 4.417
249 2HG ARG 33 2HG ARG 33 -22.899 -3.012 6.023
250 1HD ARG 33 1HD ARG 33 -25.428 -2.508 4.374
251 2HD ARG 33 2HD ARG 33 -25.271 -3.671 5.706
252 HE ARG 33 HE ARG 33 -24.413 -1.218 6.735
253 1HH1 ARG 33 1HH1 ARG 33 -27.482 -2.386 5.414
254 2HH1 ARG 33 2HH1 ARG 33 -28.449 -1.346 6.423
255 1HH2 ARG 33 1HH2 ARG 33 -25.553 0.169 7.870
256 2HH2 ARG 33 2HH2 ARG 33 -27.309 0.223 7.873
257 H TYR 34 H TYR 34 -19.150 -2.731 3.955
258 HA TYR 34 HA TYR 34 -18.042 -4.172 2.646
259 1HB TYR 34 1HB TYR 34 -19.614 -5.630 3.918
260 2HB TYR 34 2HB TYR 34 -20.731 -5.591 2.569
261 HD1 TYR 34 HD1 TYR 34 -20.810 -7.992 2.336
262 HD2 TYR 34 HD2 TYR 34 -17.024 -5.921 2.025
263 HE1 TYR 34 HE1 TYR 34 -19.741 -10.030 1.409
264 HE2 TYR 34 HE2 TYR 34 -15.984 -7.958 1.141
265 HH TYR 34 HH TYR 34 -17.728 -11.012 0.512
266 1HN NH2 35 1H NH2 35 -18.829 -1.873 1.137
267 2HN NH2 35 2H NH2 35 -19.300 -2.362 -0.453
268 3HM EAB 10 3HM AZT 10 14.695 5.507 7.248
269 2HM EAB 10 2HM AZT 10 14.085 6.399 8.606
270 HL EAB 10 HL AZT 10 12.202 3.479 7.062
271 HK2 EAB 10 HK2 AZT 10 11.929 1.351 8.294
272 HJ2 EAB 10 HJ2 AZT 10 13.183 0.933 10.393
273 HG1 EAB 10 HG1 AZT 10 15.023 -0.335 13.554
274 HG2 EAB 10 HG2 AZT 10 17.541 1.168 16.721
275 HD2 EAB 10 HD2 AZT 10 17.904 3.257 15.440
276 HE EAB 10 HE AZT 10 16.747 3.607 13.279
277 2HA EAB 10 2HA AZT 10 16.586 -1.019 16.888
278 3HA EAB 10 3HA AZT 10 16.054 -1.848 15.382
279 1HN EAB 10 H AZT 10 14.399 0.057 16.974
280 HJ1 EAB 10 HJ1 AZT 10 14.745 4.948 10.221
Start of MODEL 12
1 1H GLY 1 H GLY 1 5.377 10.201 -10.378
2 1HA GLY 1 1HA GLY 1 3.933 11.974 -8.482
3 2HA GLY 1 2HA GLY 1 4.037 10.214 -8.331
4 HA PRO 2 HA PRO 2 7.572 11.567 -5.831
5 1HB PRO 2 1HB PRO 2 7.554 9.560 -4.015
6 2HB PRO 2 2HB PRO 2 6.249 10.769 -4.099
7 1HG PRO 2 1HG PRO 2 6.272 7.999 -5.347
8 2HG PRO 2 2HG PRO 2 5.033 8.699 -4.253
9 1HD PRO 2 1HD PRO 2 4.824 8.777 -6.992
10 2HD PRO 2 2HD PRO 2 4.182 10.078 -5.950
11 H SER 3 H SER 3 9.480 10.150 -4.820
12 HA SER 3 HA SER 3 11.032 9.145 -7.052
13 1HB SER 3 1HB SER 3 11.488 9.551 -4.064
14 2HB SER 3 2HB SER 3 12.718 8.874 -5.124
15 HG SER 3 HG SER 3 12.858 11.134 -4.816
16 H GLN 4 H GLN 4 12.497 7.056 -6.164
17 HA GLN 4 HA GLN 4 10.690 4.969 -5.137
18 1HB GLN 4 1HB GLN 4 10.540 5.028 -7.629
19 2HB GLN 4 2HB GLN 4 12.272 4.742 -7.729
20 1HG GLN 4 1HG GLN 4 10.941 2.699 -8.102
21 2HG GLN 4 2HG GLN 4 11.997 2.531 -6.702
22 1HE2 GLN 4 2HE2 GLN 4 10.880 1.164 -5.335
23 2HE2 GLN 4 1HE2 GLN 4 9.289 1.456 -4.731
24 HA PRO 5 HA PRO 5 15.021 5.147 -3.386
25 1HB PRO 5 1HB PRO 5 14.416 5.288 -0.725
26 2HB PRO 5 2HB PRO 5 14.508 6.728 -1.793
27 1HG PRO 5 1HG PRO 5 12.031 5.185 -0.955
28 2HG PRO 5 2HG PRO 5 12.287 6.960 -0.941
29 1HD PRO 5 1HD PRO 5 11.000 5.692 -2.984
30 2HD PRO 5 2HD PRO 5 12.053 7.104 -3.268
31 H THR 6 H THR 6 16.106 3.281 -2.613
32 HA THR 6 HA THR 6 14.472 1.042 -1.558
33 HB THR 6 HB THR 6 16.426 0.659 -3.823
34 HG1 THR 6 HG1 THR 6 14.836 1.808 -4.788
35 1HG2 THR 6 1HG2 THR 6 14.146 -1.054 -2.779
36 2HG2 THR 6 2HG2 THR 6 15.875 -1.349 -2.504
37 3HG2 THR 6 3HG2 THR 6 15.214 -1.463 -4.141
38 H TYR 7 H TYR 7 15.446 0.719 0.315
39 HA TYR 7 HA TYR 7 18.433 0.634 0.488
40 1HB TYR 7 1HB TYR 7 16.451 1.694 2.508
41 2HB TYR 7 2HB TYR 7 18.141 1.369 2.849
42 HD1 TYR 7 HD1 TYR 7 19.933 2.465 1.351
43 HD2 TYR 7 HD2 TYR 7 15.848 3.860 1.554
44 HE1 TYR 7 HE1 TYR 7 20.626 4.647 0.426
45 HE2 TYR 7 HE2 TYR 7 16.547 6.049 0.666
46 HH TYR 7 HH TYR 7 18.339 7.273 -0.327
47 HA PRO 8 HA PRO 8 16.803 -3.517 1.696
48 1HB PRO 8 1HB PRO 8 18.425 -5.080 0.190
49 2HB PRO 8 2HB PRO 8 17.060 -4.194 -0.560
50 1HG PRO 8 1HG PRO 8 19.969 -3.335 -0.386
51 2HG PRO 8 2HG PRO 8 18.950 -3.450 -1.848
52 1HD PRO 8 1HD PRO 8 19.273 -1.106 -0.491
53 2HD PRO 8 2HD PRO 8 17.705 -1.535 -1.243
54 H GLY 9 H GLY 9 18.222 -5.428 2.573
55 1HA GLY 9 1HA GLY 9 19.915 -6.234 3.918
56 2HA GLY 9 2HA GLY 9 20.913 -4.842 3.435
57 HA PRO 11 HA PRO 11 12.428 5.328 4.097
58 1HB PRO 11 1HB PRO 11 11.149 4.149 1.951
59 2HB PRO 11 2HB PRO 11 12.860 4.670 1.921
60 1HG PRO 11 1HG PRO 11 11.785 1.884 2.437
61 2HG PRO 11 2HG PRO 11 13.115 2.381 1.341
62 1HD PRO 11 1HD PRO 11 13.611 1.429 3.834
63 2HD PRO 11 2HD PRO 11 14.581 2.764 3.160
64 H VAL 12 H VAL 12 10.786 5.809 5.573
65 HA VAL 12 HA VAL 12 8.709 3.778 6.088
66 HB VAL 12 HB VAL 12 8.241 5.963 7.739
67 1HG1 VAL 12 1HG1 VAL 12 8.140 3.537 8.276
68 2HG1 VAL 12 2HG1 VAL 12 9.901 3.526 8.400
69 3HG1 VAL 12 3HG1 VAL 12 8.935 4.501 9.531
70 1HG2 VAL 12 1HG2 VAL 12 11.248 5.517 7.847
71 2HG2 VAL 12 2HG2 VAL 12 10.433 7.007 7.308
72 3HG2 VAL 12 3HG2 VAL 12 10.251 6.452 8.969
73 H GLU 13 H GLU 13 8.965 7.304 5.445
74 HA GLU 13 HA GLU 13 6.268 7.824 4.990
75 1HB GLU 13 1HB GLU 13 8.737 9.028 3.686
76 2HB GLU 13 2HB GLU 13 7.132 9.749 3.599
77 1HG GLU 13 1HG GLU 13 7.162 10.474 5.793
78 2HG GLU 13 2HG GLU 13 8.169 9.150 6.360
79 H ASP 14 H ASP 14 8.745 6.987 2.566
80 HA ASP 14 HA ASP 14 6.910 6.804 0.407
81 1HB ASP 14 1HB ASP 14 9.782 5.939 0.808
82 2HB ASP 14 2HB ASP 14 8.904 5.525 -0.671
83 H LEU 15 H LEU 15 7.443 4.467 2.962
84 HA LEU 15 HA LEU 15 6.460 2.274 1.237
85 1HB LEU 15 1HB LEU 15 8.281 1.720 2.816
86 2HB LEU 15 2HB LEU 15 7.270 2.226 4.167
87 HG LEU 15 HG LEU 15 5.673 0.446 3.756
88 1HD1 LEU 15 1HD1 LEU 15 7.347 -0.275 1.320
89 2HD1 LEU 15 2HD1 LEU 15 5.644 0.221 1.316
90 3HD1 LEU 15 3HD1 LEU 15 6.088 -1.324 2.014
91 1HD2 LEU 15 1HD2 LEU 15 7.045 -1.550 4.145
92 2HD2 LEU 15 2HD2 LEU 15 7.643 -0.185 5.073
93 3HD2 LEU 15 3HD2 LEU 15 8.490 -0.671 3.592
94 H ILE 16 H ILE 16 5.445 4.232 4.110
95 HA ILE 16 HA ILE 16 2.983 2.823 4.368
96 HB ILE 16 HB ILE 16 2.217 4.612 5.812
97 1HG1 ILE 16 1HG1 ILE 16 4.713 6.140 5.000
98 2HG1 ILE 16 2HG1 ILE 16 3.057 6.568 4.578
99 1HG2 ILE 16 1HG2 ILE 16 5.150 3.925 6.330
100 2HG2 ILE 16 2HG2 ILE 16 3.929 4.336 7.535
101 3HG2 ILE 16 3HG2 ILE 16 3.782 2.844 6.607
102 1HD1 ILE 16 1HD1 ILE 16 4.261 6.595 7.367
103 2HD1 ILE 16 2HD1 ILE 16 3.802 7.983 6.370
104 3HD1 ILE 16 3HD1 ILE 16 2.546 6.897 6.985
105 H ARG 17 H ARG 17 3.938 5.579 2.405
106 HA ARG 17 HA ARG 17 1.313 6.106 1.379
107 1HB ARG 17 1HB ARG 17 4.101 6.814 0.381
108 2HB ARG 17 2HB ARG 17 2.624 7.433 -0.357
109 1HG ARG 17 1HG ARG 17 1.955 8.560 1.673
110 2HG ARG 17 2HG ARG 17 3.205 7.771 2.623
111 1HD ARG 17 1HD ARG 17 3.916 10.021 2.245
112 2HD ARG 17 2HD ARG 17 4.980 8.926 1.362
113 HE ARG 17 HE ARG 17 4.448 9.979 -0.536
114 1HH1 ARG 17 1HH1 ARG 17 1.770 10.594 1.710
115 2HH1 ARG 17 2HH1 ARG 17 0.995 11.776 0.729
116 1HH2 ARG 17 1HH2 ARG 17 3.493 11.565 -1.820
117 2HH2 ARG 17 2HH2 ARG 17 1.967 12.292 -1.436
118 H PHE 18 H PHE 18 3.399 3.521 0.784
119 HA PHE 18 HA PHE 18 2.212 2.909 -1.858
120 1HB PHE 18 1HB PHE 18 4.754 2.147 -0.434
121 2HB PHE 18 2HB PHE 18 4.005 0.873 -1.368
122 HD1 PHE 18 HD1 PHE 18 4.665 4.573 -1.877
123 HD2 PHE 18 HD2 PHE 18 4.894 0.574 -3.492
124 HE1 PHE 18 HE1 PHE 18 5.645 5.459 -3.967
125 HE2 PHE 18 HE2 PHE 18 5.889 1.470 -5.567
126 HZ PHE 18 HZ PHE 18 6.278 3.920 -5.806
127 H TYR 19 H TYR 19 1.242 2.542 1.167
128 HA TYR 19 HA TYR 19 -0.093 -0.076 0.580
129 1HB TYR 19 1HB TYR 19 1.568 0.020 2.503
130 2HB TYR 19 2HB TYR 19 0.462 1.119 3.322
131 HD1 TYR 19 HD1 TYR 19 -1.763 0.304 4.121
132 HD2 TYR 19 HD2 TYR 19 0.998 -2.327 2.079
133 HE1 TYR 19 HE1 TYR 19 -3.146 -1.647 4.760
134 HE2 TYR 19 HE2 TYR 19 -0.361 -4.265 2.746
135 HH TYR 19 HH TYR 19 -3.520 -3.887 4.341
136 H ASN 20 H ASN 20 -0.323 3.104 2.114
137 HA ASN 20 HA ASN 20 -3.076 3.101 2.631
138 1HB ASN 20 1HB ASN 20 -1.003 5.289 2.429
139 2HB ASN 20 2HB ASN 20 -2.704 5.685 2.593
140 1HD2 ASN 20 2HD2 ASN 20 -0.083 3.781 4.232
141 2HD2 ASN 20 1HD2 ASN 20 -1.063 3.437 5.619
142 H ASP 21 H ASP 21 -1.618 3.568 -0.648
143 HA ASP 21 HA ASP 21 -4.086 4.965 -1.464
144 1HB ASP 21 1HB ASP 21 -1.676 5.221 -2.513
145 2HB ASP 21 2HB ASP 21 -2.164 3.818 -3.463
146 H LEU 22 H LEU 22 -2.911 1.695 -1.223
147 HA LEU 22 HA LEU 22 -4.998 0.562 -2.991
148 1HB LEU 22 1HB LEU 22 -2.891 -0.708 -1.176
149 2HB LEU 22 2HB LEU 22 -4.173 -1.635 -1.919
150 HG LEU 22 HG LEU 22 -2.194 -1.938 -3.166
151 1HD1 LEU 22 1HD1 LEU 22 -4.335 -1.831 -4.448
152 2HD1 LEU 22 2HD1 LEU 22 -2.910 -1.424 -5.411
153 3HD1 LEU 22 3HD1 LEU 22 -3.985 -0.133 -4.848
154 1HD2 LEU 22 1HD2 LEU 22 -2.101 1.024 -3.785
155 2HD2 LEU 22 2HD2 LEU 22 -0.925 -0.235 -4.225
156 3HD2 LEU 22 3HD2 LEU 22 -1.118 0.266 -2.530
157 H GLN 23 H GLN 23 -4.173 0.654 0.492
158 HA GLN 23 HA GLN 23 -6.392 -0.771 1.497
159 1HB GLN 23 1HB GLN 23 -4.435 -0.370 2.844
160 2HB GLN 23 2HB GLN 23 -4.541 1.362 2.595
161 1HG GLN 23 1HG GLN 23 -6.650 1.384 4.023
162 2HG GLN 23 2HG GLN 23 -6.313 -0.311 4.394
163 1HE2 GLN 23 2HE2 GLN 23 -4.990 2.997 4.500
164 2HE2 GLN 23 1HE2 GLN 23 -3.810 2.731 5.780
165 H GLN 24 H GLN 24 -6.299 2.398 0.051
166 HA GLN 24 HA GLN 24 -8.479 3.667 1.325
167 1HB GLN 24 1HB GLN 24 -6.828 4.668 -0.285
168 2HB GLN 24 2HB GLN 24 -7.619 3.780 -1.591
169 1HG GLN 24 1HG GLN 24 -9.734 5.049 -1.124
170 2HG GLN 24 2HG GLN 24 -8.890 5.930 0.165
171 1HE2 GLN 24 2HE2 GLN 24 -8.710 5.161 -3.331
172 2HE2 GLN 24 1HE2 GLN 24 -7.663 6.522 -3.763
173 H TYR 25 H TYR 25 -8.350 1.346 -1.440
174 HA TYR 25 HA TYR 25 -11.228 1.185 -1.783
175 1HB TYR 25 1HB TYR 25 -9.441 0.711 -3.529
176 2HB TYR 25 2HB TYR 25 -9.063 -0.755 -2.639
177 HD1 TYR 25 HD1 TYR 25 -11.785 0.995 -4.540
178 HD2 TYR 25 HD2 TYR 25 -10.274 -2.757 -3.058
179 HE1 TYR 25 HE1 TYR 25 -13.546 -0.201 -5.796
180 HE2 TYR 25 HE2 TYR 25 -12.040 -3.962 -4.313
181 HH TYR 25 HH TYR 25 -14.147 -2.375 -6.645
182 H LEU 26 H LEU 26 -9.383 0.101 0.891
183 HA LEU 26 HA LEU 26 -11.244 -2.121 1.350
184 1HB LEU 26 1HB LEU 26 -8.350 -1.539 1.814
185 2HB LEU 26 2HB LEU 26 -9.163 -2.038 3.260
186 HG LEU 26 HG LEU 26 -9.269 -3.447 0.594
187 1HD1 LEU 26 1HD1 LEU 26 -7.657 -5.085 1.527
188 2HD1 LEU 26 2HD1 LEU 26 -7.500 -4.049 2.971
189 3HD1 LEU 26 3HD1 LEU 26 -7.010 -3.451 1.363
190 1HD2 LEU 26 1HD2 LEU 26 -10.081 -4.420 3.388
191 2HD2 LEU 26 2HD2 LEU 26 -9.990 -5.468 1.956
192 3HD2 LEU 26 3HD2 LEU 26 -11.177 -4.165 2.011
193 H ASN 27 H ASN 27 -10.490 1.072 2.038
194 HA ASN 27 HA ASN 27 -11.870 1.124 4.670
195 1HB ASN 27 1HB ASN 27 -9.622 2.251 4.346
196 2HB ASN 27 2HB ASN 27 -10.384 3.344 3.181
197 1HD2 ASN 27 2HD2 ASN 27 -10.537 5.374 4.272
198 2HD2 ASN 27 1HD2 ASN 27 -10.893 5.485 5.968
199 H VAL 28 H VAL 28 -12.150 2.363 1.348
200 HA VAL 28 HA VAL 28 -14.595 3.845 1.989
201 HB VAL 28 HB VAL 28 -12.970 3.436 -0.549
202 1HG1 VAL 28 1HG1 VAL 28 -15.467 5.126 -0.111
203 2HG1 VAL 28 2HG1 VAL 28 -14.328 5.324 -1.481
204 3HG1 VAL 28 3HG1 VAL 28 -15.227 3.830 -1.291
205 1HG2 VAL 28 1HG2 VAL 28 -11.839 4.835 1.128
206 2HG2 VAL 28 2HG2 VAL 28 -12.390 5.841 -0.200
207 3HG2 VAL 28 3HG2 VAL 28 -13.290 5.820 1.344
208 H VAL 29 H VAL 29 -13.714 0.735 0.335
209 HA VAL 29 HA VAL 29 -16.275 0.371 -0.772
210 HB VAL 29 HB VAL 29 -13.894 -0.701 -1.005
211 1HG1 VAL 29 1HG1 VAL 29 -15.297 -2.923 0.526
212 2HG1 VAL 29 2HG1 VAL 29 -13.826 -3.090 -0.430
213 3HG1 VAL 29 3HG1 VAL 29 -13.797 -2.057 0.984
214 1HG2 VAL 29 1HG2 VAL 29 -15.645 -0.865 -2.684
215 2HG2 VAL 29 2HG2 VAL 29 -14.810 -2.406 -2.511
216 3HG2 VAL 29 3HG2 VAL 29 -16.420 -2.194 -1.783
217 H THR 30 H THR 30 -14.874 -0.705 2.274
218 HA THR 30 HA THR 30 -17.139 -2.062 3.282
219 HB THR 30 HB THR 30 -15.889 -1.788 5.422
220 HG1 THR 30 HG1 THR 30 -13.765 -0.911 5.154
221 1HG2 THR 30 1HG2 THR 30 -14.039 -3.200 4.818
222 2HG2 THR 30 2HG2 THR 30 -14.065 -2.654 3.142
223 3HG2 THR 30 3HG2 THR 30 -15.391 -3.643 3.784
224 H ARG 31 H ARG 31 -16.136 1.331 3.338
225 HA ARG 31 HA ARG 31 -18.069 2.184 5.208
226 1HB ARG 31 1HB ARG 31 -16.054 3.509 4.514
227 2HB ARG 31 2HB ARG 31 -16.816 3.832 2.961
228 1HG ARG 31 1HG ARG 31 -16.948 5.751 4.451
229 2HG ARG 31 2HG ARG 31 -18.551 5.157 4.061
230 1HD ARG 31 1HD ARG 31 -18.403 3.843 6.329
231 2HD ARG 31 2HD ARG 31 -16.999 4.845 6.653
232 HE ARG 31 HE ARG 31 -18.372 6.771 6.709
233 1HH1 ARG 31 1HH1 ARG 31 -20.384 3.790 6.256
234 2HH1 ARG 31 2HH1 ARG 31 -21.848 4.668 6.417
235 1HH2 ARG 31 1HH2 ARG 31 -20.304 7.764 7.151
236 2HH2 ARG 31 2HH2 ARG 31 -21.783 6.855 7.382
237 H HIS 32 H HIS 32 -18.606 0.894 2.218
238 HA HIS 32 HA HIS 32 -21.245 2.211 1.847
239 1HB HIS 32 1HB HIS 32 -19.162 1.371 -0.049
240 2HB HIS 32 2HB HIS 32 -20.718 0.627 -0.409
241 HD1 HIS 32 HD1 HIS 32 -22.612 2.169 -1.405
242 HD2 HIS 32 HD2 HIS 32 -19.218 4.166 0.148
243 HE1 HIS 32 HE1 HIS 32 -22.848 4.589 -2.069
244 H ARG 33 H ARG 33 -20.376 0.167 3.863
245 HA ARG 33 HA ARG 33 -21.275 -1.485 5.003
246 1HB ARG 33 1HB ARG 33 -23.585 -1.627 3.049
247 2HB ARG 33 2HB ARG 33 -23.522 -2.241 4.695
248 1HG ARG 33 1HG ARG 33 -23.355 0.096 5.559
249 2HG ARG 33 2HG ARG 33 -23.403 0.706 3.893
250 1HD ARG 33 1HD ARG 33 -25.597 -0.591 3.608
251 2HD ARG 33 2HD ARG 33 -25.536 -0.839 5.365
252 HE ARG 33 HE ARG 33 -25.402 1.907 4.229
253 1HH1 ARG 33 1HH1 ARG 33 -27.337 -0.545 5.892
254 2HH1 ARG 33 2HH1 ARG 33 -28.428 0.571 6.632
255 1HH2 ARG 33 1HH2 ARG 33 -27.102 3.360 4.853
256 2HH2 ARG 33 2HH2 ARG 33 -28.340 2.852 5.927
257 H TYR 34 H TYR 34 -19.237 -2.431 4.026
258 HA TYR 34 HA TYR 34 -19.928 -5.049 2.946
259 1HB TYR 34 1HB TYR 34 -19.285 -3.388 0.998
260 2HB TYR 34 2HB TYR 34 -17.649 -3.563 1.602
261 HD1 TYR 34 HD1 TYR 34 -16.352 -5.268 0.503
262 HD2 TYR 34 HD2 TYR 34 -20.636 -5.727 0.806
263 HE1 TYR 34 HE1 TYR 34 -16.225 -7.343 -0.832
264 HE2 TYR 34 HE2 TYR 34 -20.513 -7.805 -0.519
265 HH TYR 34 HH TYR 34 -17.626 -8.868 -2.210
266 1HN NH2 35 1H NH2 35 -17.611 -6.328 2.897
267 2HN NH2 35 2H NH2 35 -16.650 -6.046 4.311
268 3HM EAB 10 3HM AZT 10 15.289 2.206 5.403
269 2HM EAB 10 2HM AZT 10 15.201 2.921 7.002
270 HL EAB 10 HL AZT 10 12.001 1.446 6.648
271 HK2 EAB 10 HK2 AZT 10 11.373 -0.713 7.647
272 HJ2 EAB 10 HJ2 AZT 10 13.109 -2.323 8.359
273 HG1 EAB 10 HG1 AZT 10 18.258 -2.673 7.697
274 HG2 EAB 10 HG2 AZT 10 19.561 -6.662 8.662
275 HD2 EAB 10 HD2 AZT 10 17.269 -7.212 9.455
276 HE EAB 10 HE AZT 10 15.453 -5.526 9.287
277 2HA EAB 10 2HA AZT 10 21.179 -4.758 8.138
278 3HA EAB 10 3HA AZT 10 20.544 -3.230 7.498
279 1HN EAB 10 H AZT 10 21.163 -5.571 5.976
280 HJ1 EAB 10 HJ1 AZT 10 16.167 0.392 7.036
Start of MODEL 13
1 1H GLY 1 H GLY 1 36.974 7.296 -17.581
2 1HA GLY 1 1HA GLY 1 38.056 9.551 -15.962
3 2HA GLY 1 2HA GLY 1 36.525 9.602 -16.881
4 HA PRO 2 HA PRO 2 35.368 8.029 -12.714
5 1HB PRO 2 1HB PRO 2 32.838 9.042 -12.569
6 2HB PRO 2 2HB PRO 2 34.276 10.078 -12.322
7 1HG PRO 2 1HG PRO 2 32.658 9.712 -14.867
8 2HG PRO 2 2HG PRO 2 33.161 11.248 -14.090
9 1HD PRO 2 1HD PRO 2 34.564 10.110 -16.151
10 2HD PRO 2 2HD PRO 2 35.385 11.002 -14.833
11 H SER 3 H SER 3 33.207 6.657 -12.170
12 HA SER 3 HA SER 3 32.005 5.299 -14.417
13 1HB SER 3 1HB SER 3 33.839 3.799 -12.488
14 2HB SER 3 2HB SER 3 32.761 3.056 -13.689
15 HG SER 3 HG SER 3 34.270 4.960 -14.852
16 H GLN 4 H GLN 4 30.168 4.092 -13.634
17 HA GLN 4 HA GLN 4 29.295 4.850 -10.884
18 1HB GLN 4 1HB GLN 4 28.252 6.034 -12.813
19 2HB GLN 4 2HB GLN 4 27.652 4.484 -13.402
20 1HG GLN 4 1HG GLN 4 26.313 4.244 -11.310
21 2HG GLN 4 2HG GLN 4 26.964 5.782 -10.726
22 1HE2 GLN 4 2HE2 GLN 4 24.804 6.835 -10.674
23 2HE2 GLN 4 1HE2 GLN 4 24.074 7.283 -12.202
24 HA PRO 5 HA PRO 5 29.478 0.215 -11.115
25 1HB PRO 5 1HB PRO 5 30.295 -0.313 -8.590
26 2HB PRO 5 2HB PRO 5 31.437 0.301 -9.820
27 1HG PRO 5 1HG PRO 5 29.958 1.889 -7.693
28 2HG PRO 5 2HG PRO 5 31.708 1.929 -8.082
29 1HD PRO 5 1HD PRO 5 29.900 3.732 -9.099
30 2HD PRO 5 2HD PRO 5 31.341 3.205 -10.019
31 H THR 6 H THR 6 28.258 -1.395 -9.482
32 HA THR 6 HA THR 6 26.137 -0.159 -7.970
33 HB THR 6 HB THR 6 25.607 -0.251 -10.596
34 HG1 THR 6 HG1 THR 6 23.397 -0.419 -9.967
35 1HG2 THR 6 1HG2 THR 6 24.445 -2.922 -9.775
36 2HG2 THR 6 2HG2 THR 6 25.916 -2.744 -10.757
37 3HG2 THR 6 3HG2 THR 6 24.384 -2.114 -11.356
38 H TYR 7 H TYR 7 24.722 -1.808 -6.996
39 HA TYR 7 HA TYR 7 25.731 -4.532 -6.785
40 1HB TYR 7 1HB TYR 7 25.842 -4.273 -4.237
41 2HB TYR 7 2HB TYR 7 27.188 -3.639 -5.164
42 HD1 TYR 7 HD1 TYR 7 27.663 -1.247 -5.298
43 HD2 TYR 7 HD2 TYR 7 24.220 -2.708 -3.126
44 HE1 TYR 7 HE1 TYR 7 27.409 0.966 -4.211
45 HE2 TYR 7 HE2 TYR 7 23.942 -0.493 -2.073
46 HH TYR 7 HH TYR 7 24.623 1.951 -2.499
47 HA PRO 8 HA PRO 8 21.341 -4.859 -6.346
48 1HB PRO 8 1HB PRO 8 20.990 -7.329 -5.260
49 2HB PRO 8 2HB PRO 8 21.597 -7.070 -6.918
50 1HG PRO 8 1HG PRO 8 23.229 -7.578 -4.407
51 2HG PRO 8 2HG PRO 8 23.360 -8.397 -6.001
52 1HD PRO 8 1HD PRO 8 24.979 -6.308 -5.295
53 2HD PRO 8 2HD PRO 8 24.422 -6.522 -6.974
54 H GLY 9 H GLY 9 19.574 -5.033 -4.765
55 1HA GLY 9 1HA GLY 9 20.012 -3.482 -2.473
56 2HA GLY 9 2HA GLY 9 18.559 -4.437 -2.805
57 HA PRO 11 HA PRO 11 12.783 5.489 0.737
58 1HB PRO 11 1HB PRO 11 11.182 4.504 -1.200
59 2HB PRO 11 2HB PRO 11 12.923 4.741 -1.468
60 1HG PRO 11 1HG PRO 11 11.545 2.159 -0.623
61 2HG PRO 11 2HG PRO 11 12.645 2.397 -2.018
62 1HD PRO 11 1HD PRO 11 13.574 1.485 0.334
63 2HD PRO 11 2HD PRO 11 14.530 2.651 -0.622
64 H VAL 12 H VAL 12 12.245 4.121 3.233
65 HA VAL 12 HA VAL 12 9.895 2.795 3.561
66 HB VAL 12 HB VAL 12 10.093 4.162 5.817
67 1HG1 VAL 12 1HG1 VAL 12 10.463 1.763 5.536
68 2HG1 VAL 12 2HG1 VAL 12 12.146 2.083 5.070
69 3HG1 VAL 12 3HG1 VAL 12 11.576 2.479 6.704
70 1HG2 VAL 12 1HG2 VAL 12 12.987 4.450 5.067
71 2HG2 VAL 12 2HG2 VAL 12 11.818 5.793 4.927
72 3HG2 VAL 12 3HG2 VAL 12 12.115 5.048 6.481
73 H GLU 13 H GLU 13 10.421 6.291 3.272
74 HA GLU 13 HA GLU 13 7.895 7.185 4.184
75 1HB GLU 13 1HB GLU 13 10.137 8.260 2.450
76 2HB GLU 13 2HB GLU 13 8.603 9.100 2.424
77 1HG GLU 13 1HG GLU 13 9.908 10.214 4.040
78 2HG GLU 13 2HG GLU 13 8.676 9.317 4.912
79 H ASP 14 H ASP 14 8.955 6.417 0.808
80 HA ASP 14 HA ASP 14 6.280 7.182 -0.168
81 1HB ASP 14 1HB ASP 14 8.376 7.536 -1.509
82 2HB ASP 14 2HB ASP 14 8.497 5.775 -1.678
83 H LEU 15 H LEU 15 8.135 4.242 0.618
84 HA LEU 15 HA LEU 15 6.389 2.343 -0.431
85 1HB LEU 15 1HB LEU 15 8.638 1.855 0.355
86 2HB LEU 15 2HB LEU 15 8.174 2.225 2.015
87 HG LEU 15 HG LEU 15 6.625 0.287 2.032
88 1HD1 LEU 15 1HD1 LEU 15 6.047 0.112 -0.365
89 2HD1 LEU 15 2HD1 LEU 15 6.754 -1.403 0.205
90 3HD1 LEU 15 3HD1 LEU 15 7.742 -0.275 -0.755
91 1HD2 LEU 15 1HD2 LEU 15 8.355 -1.441 2.048
92 2HD2 LEU 15 2HD2 LEU 15 8.980 0.060 2.767
93 3HD2 LEU 15 3HD2 LEU 15 9.453 -0.401 1.120
94 H ILE 16 H ILE 16 6.184 3.992 2.822
95 HA ILE 16 HA ILE 16 3.933 2.339 3.579
96 HB ILE 16 HB ILE 16 3.378 4.103 5.231
97 1HG1 ILE 16 1HG1 ILE 16 5.836 5.562 4.196
98 2HG1 ILE 16 2HG1 ILE 16 4.172 6.111 4.035
99 1HG2 ILE 16 1HG2 ILE 16 6.311 3.477 5.504
100 2HG2 ILE 16 2HG2 ILE 16 5.057 3.519 6.734
101 3HG2 ILE 16 3HG2 ILE 16 5.065 2.193 5.582
102 1HD1 ILE 16 1HD1 ILE 16 3.999 6.259 6.504
103 2HD1 ILE 16 2HD1 ILE 16 5.724 5.836 6.619
104 3HD1 ILE 16 3HD1 ILE 16 5.233 7.326 5.802
105 H ARG 17 H ARG 17 4.139 5.467 1.809
106 HA ARG 17 HA ARG 17 1.282 5.794 1.753
107 1HB ARG 17 1HB ARG 17 3.428 6.911 -0.092
108 2HB ARG 17 2HB ARG 17 1.763 7.486 -0.004
109 1HG ARG 17 1HG ARG 17 2.080 8.300 2.269
110 2HG ARG 17 2HG ARG 17 3.726 7.637 2.325
111 1HD ARG 17 1HD ARG 17 4.408 8.961 0.433
112 2HD ARG 17 2HD ARG 17 2.776 9.645 0.242
113 HE ARG 17 HE ARG 17 3.580 10.279 2.840
114 1HH1 ARG 17 1HH1 ARG 17 4.918 10.797 -0.417
115 2HH1 ARG 17 2HH1 ARG 17 5.870 12.154 0.023
116 1HH2 ARG 17 1HH2 ARG 17 4.692 12.094 3.435
117 2HH2 ARG 17 2HH2 ARG 17 5.664 13.014 2.311
118 H PHE 18 H PHE 18 3.499 4.172 -0.228
119 HA PHE 18 HA PHE 18 1.857 3.738 -2.534
120 1HB PHE 18 1HB PHE 18 4.316 3.476 -2.484
121 2HB PHE 18 2HB PHE 18 4.166 2.088 -1.411
122 HD1 PHE 18 HD1 PHE 18 2.975 3.316 -4.767
123 HD2 PHE 18 HD2 PHE 18 4.249 -0.049 -2.379
124 HE1 PHE 18 HE1 PHE 18 2.804 1.836 -6.744
125 HE2 PHE 18 HE2 PHE 18 4.109 -1.518 -4.394
126 HZ PHE 18 HZ PHE 18 3.356 -0.560 -6.561
127 H TYR 19 H TYR 19 2.394 1.880 0.472
128 HA TYR 19 HA TYR 19 0.511 -0.209 -0.278
129 1HB TYR 19 1HB TYR 19 2.521 -0.274 1.411
130 2HB TYR 19 2HB TYR 19 1.390 0.406 2.557
131 HD1 TYR 19 HD1 TYR 19 -0.440 -0.939 3.496
132 HD2 TYR 19 HD2 TYR 19 2.039 -2.541 0.342
133 HE1 TYR 19 HE1 TYR 19 -1.461 -3.157 3.819
134 HE2 TYR 19 HE2 TYR 19 0.980 -4.743 0.626
135 HH TYR 19 HH TYR 19 -1.631 -5.339 3.047
136 H ASN 20 H ASN 20 0.422 2.684 1.836
137 HA ASN 20 HA ASN 20 -2.171 2.276 2.914
138 1HB ASN 20 1HB ASN 20 -0.384 4.676 2.695
139 2HB ASN 20 2HB ASN 20 -2.080 4.882 3.071
140 1HD2 ASN 20 2HD2 ASN 20 0.871 3.349 4.221
141 2HD2 ASN 20 1HD2 ASN 20 0.283 2.979 5.838
142 H ASP 21 H ASP 21 -1.195 3.471 -0.290
143 HA ASP 21 HA ASP 21 -3.691 4.775 -0.824
144 1HB ASP 21 1HB ASP 21 -1.550 5.032 -2.174
145 2HB ASP 21 2HB ASP 21 -1.919 3.457 -2.909
146 H LEU 22 H LEU 22 -2.558 1.427 -1.158
147 HA LEU 22 HA LEU 22 -4.836 0.400 -2.535
148 1HB LEU 22 1HB LEU 22 -3.064 -1.110 -0.577
149 2HB LEU 22 2HB LEU 22 -4.034 -1.793 -1.868
150 HG LEU 22 HG LEU 22 -1.622 0.034 -2.275
151 1HD1 LEU 22 1HD1 LEU 22 -0.365 -1.885 -2.920
152 2HD1 LEU 22 2HD1 LEU 22 -1.780 -2.942 -2.818
153 3HD1 LEU 22 3HD1 LEU 22 -1.076 -2.242 -1.342
154 1HD2 LEU 22 1HD2 LEU 22 -3.162 0.238 -4.146
155 2HD2 LEU 22 2HD2 LEU 22 -3.322 -1.530 -4.272
156 3HD2 LEU 22 3HD2 LEU 22 -1.785 -0.727 -4.659
157 H GLN 23 H GLN 23 -4.244 1.213 0.816
158 HA GLN 23 HA GLN 23 -6.441 -0.282 1.933
159 1HB GLN 23 1HB GLN 23 -5.059 2.145 3.167
160 2HB GLN 23 2HB GLN 23 -6.001 0.926 3.996
161 1HG GLN 23 1HG GLN 23 -3.297 0.530 2.669
162 2HG GLN 23 2HG GLN 23 -3.645 0.520 4.392
163 1HE2 GLN 23 2HE2 GLN 23 -3.079 -1.465 1.730
164 2HE2 GLN 23 1HE2 GLN 23 -3.938 -2.900 2.234
165 H GLN 24 H GLN 24 -6.398 2.563 0.038
166 HA GLN 24 HA GLN 24 -8.537 4.101 1.190
167 1HB GLN 24 1HB GLN 24 -6.775 4.705 -0.556
168 2HB GLN 24 2HB GLN 24 -7.710 3.766 -1.728
169 1HG GLN 24 1HG GLN 24 -9.613 5.344 -1.363
170 2HG GLN 24 2HG GLN 24 -8.568 6.305 -0.303
171 1HE2 GLN 24 2HE2 GLN 24 -6.037 5.991 -1.951
172 2HE2 GLN 24 1HE2 GLN 24 -6.332 6.836 -3.418
173 H TYR 25 H TYR 25 -8.398 1.554 -1.349
174 HA TYR 25 HA TYR 25 -11.225 1.155 -1.629
175 1HB TYR 25 1HB TYR 25 -9.309 0.598 -3.229
176 2HB TYR 25 2HB TYR 25 -8.955 -0.784 -2.203
177 HD1 TYR 25 HD1 TYR 25 -11.459 0.782 -4.463
178 HD2 TYR 25 HD2 TYR 25 -10.391 -2.777 -2.265
179 HE1 TYR 25 HE1 TYR 25 -13.275 -0.450 -5.592
180 HE2 TYR 25 HE2 TYR 25 -12.201 -4.026 -3.401
181 HH TYR 25 HH TYR 25 -14.576 -2.371 -5.489
182 H LEU 26 H LEU 26 -9.349 0.404 1.210
183 HA LEU 26 HA LEU 26 -11.157 -1.845 1.753
184 1HB LEU 26 1HB LEU 26 -8.321 -1.079 2.315
185 2HB LEU 26 2HB LEU 26 -9.150 -1.502 3.771
186 HG LEU 26 HG LEU 26 -9.159 -3.172 1.259
187 1HD1 LEU 26 1HD1 LEU 26 -7.260 -3.352 3.626
188 2HD1 LEU 26 2HD1 LEU 26 -6.846 -2.960 1.948
189 3HD1 LEU 26 3HD1 LEU 26 -7.390 -4.591 2.352
190 1HD2 LEU 26 1HD2 LEU 26 -9.754 -5.060 2.825
191 2HD2 LEU 26 2HD2 LEU 26 -10.963 -3.778 2.862
192 3HD2 LEU 26 3HD2 LEU 26 -9.769 -3.905 4.168
193 H ASN 27 H ASN 27 -11.021 1.291 2.041
194 HA ASN 27 HA ASN 27 -12.387 1.514 4.711
195 1HB ASN 27 1HB ASN 27 -10.271 2.764 4.588
196 2HB ASN 27 2HB ASN 27 -10.753 3.512 3.069
197 1HD2 ASN 27 2HD2 ASN 27 -11.968 5.422 3.124
198 2HD2 ASN 27 1HD2 ASN 27 -12.385 6.142 4.664
199 H VAL 28 H VAL 28 -12.345 2.574 1.282
200 HA VAL 28 HA VAL 28 -14.929 3.888 1.501
201 HB VAL 28 HB VAL 28 -13.083 3.151 -0.811
202 1HG1 VAL 28 1HG1 VAL 28 -15.308 3.234 -1.782
203 2HG1 VAL 28 2HG1 VAL 28 -15.680 4.741 -0.909
204 3HG1 VAL 28 3HG1 VAL 28 -14.461 4.716 -2.191
205 1HG2 VAL 28 1HG2 VAL 28 -12.704 5.590 -0.878
206 2HG2 VAL 28 2HG2 VAL 28 -13.778 5.814 0.517
207 3HG2 VAL 28 3HG2 VAL 28 -12.238 4.931 0.691
208 H VAL 29 H VAL 29 -13.764 0.647 0.243
209 HA VAL 29 HA VAL 29 -16.282 0.013 -0.850
210 HB VAL 29 HB VAL 29 -13.761 -0.927 -0.926
211 1HG1 VAL 29 1HG1 VAL 29 -15.231 -3.164 0.474
212 2HG1 VAL 29 2HG1 VAL 29 -13.661 -3.285 -0.342
213 3HG1 VAL 29 3HG1 VAL 29 -13.818 -2.267 1.088
214 1HG2 VAL 29 1HG2 VAL 29 -14.674 -2.721 -2.433
215 2HG2 VAL 29 2HG2 VAL 29 -16.299 -2.252 -1.912
216 3HG2 VAL 29 3HG2 VAL 29 -15.269 -1.084 -2.761
217 H THR 30 H THR 30 -14.907 -0.856 2.287
218 HA THR 30 HA THR 30 -17.081 -2.227 3.299
219 HB THR 30 HB THR 30 -16.107 -1.458 5.496
220 HG1 THR 30 HG1 THR 30 -14.318 -0.254 5.502
221 1HG2 THR 30 1HG2 THR 30 -14.130 -2.662 3.519
222 2HG2 THR 30 2HG2 THR 30 -15.347 -3.555 4.449
223 3HG2 THR 30 3HG2 THR 30 -14.012 -2.745 5.285
224 H ARG 31 H ARG 31 -16.559 1.265 3.104
225 HA ARG 31 HA ARG 31 -18.626 2.048 4.813
226 1HB ARG 31 1HB ARG 31 -16.705 3.383 3.463
227 2HB ARG 31 2HB ARG 31 -18.055 3.769 2.397
228 1HG ARG 31 1HG ARG 31 -19.277 4.770 4.292
229 2HG ARG 31 2HG ARG 31 -18.028 4.192 5.420
230 1HD ARG 31 1HD ARG 31 -16.341 5.552 4.080
231 2HD ARG 31 2HD ARG 31 -17.705 6.298 3.244
232 HE ARG 31 HE ARG 31 -16.770 6.696 5.981
233 1HH1 ARG 31 1HH1 ARG 31 -19.552 7.271 3.807
234 2HH1 ARG 31 2HH1 ARG 31 -20.246 8.463 4.873
235 1HH2 ARG 31 1HH2 ARG 31 -17.563 8.363 7.186
236 2HH2 ARG 31 2HH2 ARG 31 -18.930 9.302 6.652
237 H HIS 32 H HIS 32 -18.993 0.575 1.853
238 HA HIS 32 HA HIS 32 -21.781 1.545 1.454
239 1HB HIS 32 1HB HIS 32 -19.687 0.314 -0.316
240 2HB HIS 32 2HB HIS 32 -21.343 -0.095 -0.642
241 HD1 HIS 32 HD1 HIS 32 -21.268 1.348 -2.980
242 HD2 HIS 32 HD2 HIS 32 -20.679 3.478 0.639
243 HE1 HIS 32 HE1 HIS 32 -21.376 3.784 -3.558
244 H ARG 33 H ARG 33 -21.198 0.234 3.783
245 HA ARG 33 HA ARG 33 -21.688 -1.520 5.123
246 1HB ARG 33 1HB ARG 33 -24.094 -1.396 3.261
247 2HB ARG 33 2HB ARG 33 -24.058 -2.427 4.694
248 1HG ARG 33 1HG ARG 33 -23.537 -0.504 6.126
249 2HG ARG 33 2HG ARG 33 -23.533 0.571 4.735
250 1HD ARG 33 1HD ARG 33 -25.907 0.203 4.357
251 2HD ARG 33 2HD ARG 33 -25.965 -1.027 5.630
252 HE ARG 33 HE ARG 33 -25.621 1.905 5.945
253 1HH1 ARG 33 1HH1 ARG 33 -25.504 -1.239 7.600
254 2HH1 ARG 33 2HH1 ARG 33 -25.673 -0.593 9.171
255 1HH2 ARG 33 1HH2 ARG 33 -25.652 2.803 8.046
256 2HH2 ARG 33 2HH2 ARG 33 -25.529 1.773 9.415
257 H TYR 34 H TYR 34 -19.707 -2.253 3.679
258 HA TYR 34 HA TYR 34 -18.486 -3.975 2.920
259 1HB TYR 34 1HB TYR 34 -19.173 -5.020 4.961
260 2HB TYR 34 2HB TYR 34 -20.682 -5.573 4.268
261 HD1 TYR 34 HD1 TYR 34 -20.867 -7.729 3.403
262 HD2 TYR 34 HD2 TYR 34 -16.958 -5.941 3.775
263 HE1 TYR 34 HE1 TYR 34 -19.857 -9.825 2.674
264 HE2 TYR 34 HE2 TYR 34 -15.928 -8.027 2.972
265 HH TYR 34 HH TYR 34 -16.315 -10.331 2.559
266 1HN NH2 35 1H NH2 35 -21.221 -3.065 1.208
267 2HN NH2 35 2H NH2 35 -21.023 -4.232 -0.069
268 3HM EAB 10 3HM AZT 10 16.031 2.553 1.475
269 2HM EAB 10 2HM AZT 10 15.922 2.885 3.195
270 HL EAB 10 HL AZT 10 12.783 1.557 2.893
271 HK2 EAB 10 HK2 AZT 10 12.128 -0.787 3.184
272 HJ2 EAB 10 HJ2 AZT 10 13.809 -2.599 3.055
273 HG1 EAB 10 HG1 AZT 10 18.093 -3.930 1.234
274 HG2 EAB 10 HG2 AZT 10 21.668 -5.378 3.201
275 HD2 EAB 10 HD2 AZT 10 21.148 -3.960 5.159
276 HE EAB 10 HE AZT 10 19.158 -2.485 5.150
277 2HA EAB 10 2HA AZT 10 19.679 -6.539 0.918
278 3HA EAB 10 3HA AZT 10 21.330 -5.862 0.904
279 1HN EAB 10 H AZT 10 19.752 -3.925 -0.277
280 HJ1 EAB 10 HJ1 AZT 10 16.896 0.327 2.351
Start of MODEL 14
1 1H GLY 1 H GLY 1 5.942 -8.615 -21.506
2 1HA GLY 1 1HA GLY 1 8.135 -7.768 -20.886
3 2HA GLY 1 2HA GLY 1 6.871 -6.972 -19.929
4 HA PRO 2 HA PRO 2 9.964 -8.703 -16.962
5 1HB PRO 2 1HB PRO 2 9.994 -6.663 -15.166
6 2HB PRO 2 2HB PRO 2 10.860 -6.578 -16.727
7 1HG PRO 2 1HG PRO 2 8.109 -5.467 -16.077
8 2HG PRO 2 2HG PRO 2 9.480 -4.605 -16.828
9 1HD PRO 2 1HD PRO 2 7.485 -5.744 -18.311
10 2HD PRO 2 2HD PRO 2 9.178 -5.766 -18.890
11 H SER 3 H SER 3 9.454 -9.941 -15.156
12 HA SER 3 HA SER 3 6.633 -9.997 -14.361
13 1HB SER 3 1HB SER 3 7.990 -12.047 -14.812
14 2HB SER 3 2HB SER 3 8.976 -11.677 -13.377
15 HG SER 3 HG SER 3 6.889 -11.671 -12.219
16 H GLN 4 H GLN 4 9.589 -8.625 -13.032
17 HA GLN 4 HA GLN 4 10.187 -7.938 -10.913
18 1HB GLN 4 1HB GLN 4 7.607 -6.526 -11.604
19 2HB GLN 4 2HB GLN 4 8.548 -6.106 -10.158
20 1HG GLN 4 1HG GLN 4 10.465 -5.508 -11.476
21 2HG GLN 4 2HG GLN 4 9.722 -6.132 -12.957
22 1HE2 GLN 4 2HE2 GLN 4 9.102 -3.676 -10.319
23 2HE2 GLN 4 1HE2 GLN 4 8.499 -2.470 -11.432
24 HA PRO 5 HA PRO 5 7.436 -10.936 -8.596
25 1HB PRO 5 1HB PRO 5 9.247 -12.851 -7.947
26 2HB PRO 5 2HB PRO 5 8.521 -12.782 -9.580
27 1HG PRO 5 1HG PRO 5 11.196 -11.647 -8.682
28 2HG PRO 5 2HG PRO 5 10.867 -12.689 -10.100
29 1HD PRO 5 1HD PRO 5 11.004 -9.959 -10.259
30 2HD PRO 5 2HD PRO 5 9.916 -10.924 -11.306
31 H THR 6 H THR 6 7.614 -11.482 -6.278
32 HA THR 6 HA THR 6 9.532 -9.733 -4.799
33 HB THR 6 HB THR 6 6.718 -10.428 -4.145
34 HG1 THR 6 HG1 THR 6 6.169 -8.487 -4.896
35 1HG2 THR 6 1HG2 THR 6 6.909 -8.533 -2.513
36 2HG2 THR 6 2HG2 THR 6 8.641 -8.437 -2.921
37 3HG2 THR 6 3HG2 THR 6 7.984 -9.896 -2.151
38 H TYR 7 H TYR 7 10.872 -11.247 -4.636
39 HA TYR 7 HA TYR 7 10.456 -13.676 -2.938
40 1HB TYR 7 1HB TYR 7 11.088 -14.172 -5.216
41 2HB TYR 7 2HB TYR 7 12.445 -13.063 -5.138
42 HD1 TYR 7 HD1 TYR 7 14.510 -14.101 -5.048
43 HD2 TYR 7 HD2 TYR 7 11.146 -15.992 -3.117
44 HE1 TYR 7 HE1 TYR 7 15.951 -15.992 -4.407
45 HE2 TYR 7 HE2 TYR 7 12.597 -17.862 -2.407
46 HH TYR 7 HH TYR 7 14.708 -18.765 -2.471
47 HA PRO 8 HA PRO 8 13.056 -10.709 -0.475
48 1HB PRO 8 1HB PRO 8 12.021 -11.186 2.005
49 2HB PRO 8 2HB PRO 8 11.176 -10.161 0.806
50 1HG PRO 8 1HG PRO 8 10.722 -13.108 1.378
51 2HG PRO 8 2HG PRO 8 9.489 -11.810 1.317
52 1HD PRO 8 1HD PRO 8 10.005 -13.418 -0.827
53 2HD PRO 8 2HD PRO 8 9.634 -11.681 -1.042
54 H GLY 9 H GLY 9 14.665 -11.138 1.199
55 1HA GLY 9 1HA GLY 9 15.185 -13.905 2.045
56 2HA GLY 9 2HA GLY 9 16.361 -13.175 0.958
57 HA PRO 11 HA PRO 11 12.764 1.427 3.736
58 1HB PRO 11 1HB PRO 11 10.956 0.504 1.873
59 2HB PRO 11 2HB PRO 11 12.729 0.499 1.615
60 1HG PRO 11 1HG PRO 11 10.957 -1.782 2.524
61 2HG PRO 11 2HG PRO 11 12.274 -1.803 1.313
62 1HD PRO 11 1HD PRO 11 12.635 -2.641 3.899
63 2HD PRO 11 2HD PRO 11 13.938 -1.852 2.966
64 H VAL 12 H VAL 12 11.088 2.727 4.497
65 HA VAL 12 HA VAL 12 8.715 1.444 5.639
66 HB VAL 12 HB VAL 12 9.202 3.729 7.090
67 1HG1 VAL 12 1HG1 VAL 12 8.274 1.518 7.837
68 2HG1 VAL 12 2HG1 VAL 12 9.925 0.856 7.840
69 3HG1 VAL 12 3HG1 VAL 12 9.456 2.170 8.969
70 1HG2 VAL 12 1HG2 VAL 12 11.365 3.614 8.126
71 2HG2 VAL 12 2HG2 VAL 12 11.845 2.242 7.110
72 3HG2 VAL 12 3HG2 VAL 12 11.585 3.852 6.397
73 H GLU 13 H GLU 13 10.097 4.648 4.547
74 HA GLU 13 HA GLU 13 7.611 5.844 4.073
75 1HB GLU 13 1HB GLU 13 9.767 7.001 4.163
76 2HB GLU 13 2HB GLU 13 10.277 6.228 2.655
77 1HG GLU 13 1HG GLU 13 8.457 7.436 1.453
78 2HG GLU 13 2HG GLU 13 7.990 8.226 2.974
79 H ASP 14 H ASP 14 9.666 4.006 1.850
80 HA ASP 14 HA ASP 14 7.997 4.083 -0.462
81 1HB ASP 14 1HB ASP 14 10.373 2.518 0.501
82 2HB ASP 14 2HB ASP 14 9.389 1.697 -0.689
83 H LEU 15 H LEU 15 7.928 2.078 2.368
84 HA LEU 15 HA LEU 15 6.320 -0.114 1.282
85 1HB LEU 15 1HB LEU 15 8.117 -0.529 2.895
86 2HB LEU 15 2HB LEU 15 7.427 0.593 4.029
87 HG LEU 15 HG LEU 15 5.313 -1.055 3.878
88 1HD1 LEU 15 1HD1 LEU 15 6.053 -3.395 3.739
89 2HD1 LEU 15 2HD1 LEU 15 7.678 -2.863 3.251
90 3HD1 LEU 15 3HD1 LEU 15 6.295 -2.544 2.213
91 1HD2 LEU 15 1HD2 LEU 15 6.272 -2.193 5.890
92 2HD2 LEU 15 2HD2 LEU 15 6.316 -0.430 5.914
93 3HD2 LEU 15 3HD2 LEU 15 7.794 -1.318 5.587
94 H ILE 16 H ILE 16 5.860 2.443 3.796
95 HA ILE 16 HA ILE 16 3.132 1.746 4.276
96 HB ILE 16 HB ILE 16 3.022 3.728 5.650
97 1HG1 ILE 16 1HG1 ILE 16 5.479 4.589 4.190
98 2HG1 ILE 16 2HG1 ILE 16 4.085 5.501 4.705
99 1HG2 ILE 16 1HG2 ILE 16 5.600 2.202 6.094
100 2HG2 ILE 16 2HG2 ILE 16 4.601 3.018 7.306
101 3HG2 ILE 16 3HG2 ILE 16 3.959 1.618 6.459
102 1HD1 ILE 16 1HD1 ILE 16 5.995 6.247 5.956
103 2HD1 ILE 16 2HD1 ILE 16 4.955 5.349 7.078
104 3HD1 ILE 16 3HD1 ILE 16 6.421 4.601 6.433
105 H ARG 17 H ARG 17 4.582 4.304 2.137
106 HA ARG 17 HA ARG 17 2.000 5.425 1.666
107 1HB ARG 17 1HB ARG 17 3.035 6.780 0.001
108 2HB ARG 17 2HB ARG 17 4.224 6.539 1.283
109 1HG ARG 17 1HG ARG 17 5.195 4.629 -0.153
110 2HG ARG 17 2HG ARG 17 4.145 5.203 -1.462
111 1HD ARG 17 1HD ARG 17 5.175 7.434 -1.333
112 2HD ARG 17 2HD ARG 17 6.178 6.891 0.038
113 HE ARG 17 HE ARG 17 6.571 5.154 -2.205
114 1HH1 ARG 17 1HH1 ARG 17 7.369 8.405 -1.079
115 2HH1 ARG 17 2HH1 ARG 17 8.873 8.510 -1.912
116 1HH2 ARG 17 1HH2 ARG 17 8.498 5.179 -3.290
117 2HH2 ARG 17 2HH2 ARG 17 9.477 6.597 -3.384
118 H PHE 18 H PHE 18 3.532 2.754 0.270
119 HA PHE 18 HA PHE 18 1.901 2.556 -2.114
120 1HB PHE 18 1HB PHE 18 4.066 1.425 -1.905
121 2HB PHE 18 2HB PHE 18 3.495 0.501 -0.525
122 HD1 PHE 18 HD1 PHE 18 2.175 1.181 -4.024
123 HD2 PHE 18 HD2 PHE 18 3.211 -1.761 -1.032
124 HE1 PHE 18 HE1 PHE 18 1.625 -0.645 -5.580
125 HE2 PHE 18 HE2 PHE 18 2.603 -3.568 -2.590
126 HZ PHE 18 HZ PHE 18 1.843 -3.017 -4.894
127 H TYR 19 H TYR 19 1.742 1.181 1.183
128 HA TYR 19 HA TYR 19 -0.711 -0.231 0.685
129 1HB TYR 19 1HB TYR 19 1.051 -0.609 2.529
130 2HB TYR 19 2HB TYR 19 0.223 0.637 3.436
131 HD1 TYR 19 HD1 TYR 19 -1.781 0.080 4.687
132 HD2 TYR 19 HD2 TYR 19 -0.350 -2.582 1.613
133 HE1 TYR 19 HE1 TYR 19 -3.558 -1.541 5.261
134 HE2 TYR 19 HE2 TYR 19 -2.162 -4.196 2.165
135 HH TYR 19 HH TYR 19 -4.419 -3.790 4.852
136 H ASN 20 H ASN 20 0.048 2.893 2.163
137 HA ASN 20 HA ASN 20 -2.560 3.605 3.028
138 1HB ASN 20 1HB ASN 20 -0.075 5.171 2.304
139 2HB ASN 20 2HB ASN 20 -1.594 6.024 2.467
140 1HD2 ASN 20 2HD2 ASN 20 0.177 6.890 4.235
141 2HD2 ASN 20 1HD2 ASN 20 -0.436 6.361 5.784
142 H ASP 21 H ASP 21 -1.084 3.899 -0.210
143 HA ASP 21 HA ASP 21 -3.323 5.386 -1.325
144 1HB ASP 21 1HB ASP 21 -1.173 5.580 -2.402
145 2HB ASP 21 2HB ASP 21 -1.036 3.823 -2.579
146 H LEU 22 H LEU 22 -2.248 1.979 -1.373
147 HA LEU 22 HA LEU 22 -4.267 0.861 -2.969
148 1HB LEU 22 1HB LEU 22 -2.123 -0.177 -2.322
149 2HB LEU 22 2HB LEU 22 -2.674 -0.270 -0.652
150 HG LEU 22 HG LEU 22 -4.515 -1.817 -1.405
151 1HD1 LEU 22 1HD1 LEU 22 -2.874 -1.929 -3.980
152 2HD1 LEU 22 2HD1 LEU 22 -4.497 -1.244 -3.846
153 3HD1 LEU 22 3HD1 LEU 22 -4.251 -2.971 -3.569
154 1HD2 LEU 22 1HD2 LEU 22 -2.446 -2.592 -0.344
155 2HD2 LEU 22 2HD2 LEU 22 -1.627 -2.658 -1.926
156 3HD2 LEU 22 3HD2 LEU 22 -2.989 -3.752 -1.570
157 H GLN 23 H GLN 23 -4.157 1.445 0.497
158 HA GLN 23 HA GLN 23 -6.398 0.177 1.438
159 1HB GLN 23 1HB GLN 23 -4.761 0.844 2.917
160 2HB GLN 23 2HB GLN 23 -4.657 2.476 2.311
161 1HG GLN 23 1HG GLN 23 -6.970 1.468 4.001
162 2HG GLN 23 2HG GLN 23 -5.512 2.221 4.633
163 1HE2 GLN 23 2HE2 GLN 23 -5.388 4.285 2.299
164 2HE2 GLN 23 1HE2 GLN 23 -6.717 5.350 2.684
165 H GLN 24 H GLN 24 -6.642 3.148 -0.514
166 HA GLN 24 HA GLN 24 -9.032 4.155 0.724
167 1HB GLN 24 1HB GLN 24 -7.767 4.385 -2.002
168 2HB GLN 24 2HB GLN 24 -9.497 4.707 -1.913
169 1HG GLN 24 1HG GLN 24 -8.174 6.773 -1.669
170 2HG GLN 24 2HG GLN 24 -9.221 6.447 -0.287
171 1HE2 GLN 24 2HE2 GLN 24 -5.846 5.702 -1.338
172 2HE2 GLN 24 1HE2 GLN 24 -5.133 5.763 0.269
173 H TYR 25 H TYR 25 -8.618 1.702 -1.871
174 HA TYR 25 HA TYR 25 -11.378 1.042 -2.128
175 1HB TYR 25 1HB TYR 25 -9.239 0.475 -3.563
176 2HB TYR 25 2HB TYR 25 -9.119 -0.942 -2.528
177 HD1 TYR 25 HD1 TYR 25 -10.972 0.777 -5.189
178 HD2 TYR 25 HD2 TYR 25 -10.911 -2.725 -2.677
179 HE1 TYR 25 HE1 TYR 25 -12.652 -0.274 -6.641
180 HE2 TYR 25 HE2 TYR 25 -12.623 -3.785 -4.107
181 HH TYR 25 HH TYR 25 -13.671 -2.340 -7.173
182 H LEU 26 H LEU 26 -9.388 0.499 0.683
183 HA LEU 26 HA LEU 26 -11.039 -1.773 1.420
184 1HB LEU 26 1HB LEU 26 -8.169 -0.909 1.707
185 2HB LEU 26 2HB LEU 26 -8.837 -1.333 3.243
186 HG LEU 26 HG LEU 26 -8.815 -2.975 0.751
187 1HD1 LEU 26 1HD1 LEU 26 -6.573 -2.656 1.728
188 2HD1 LEU 26 2HD1 LEU 26 -7.068 -4.355 1.850
189 3HD1 LEU 26 3HD1 LEU 26 -7.143 -3.311 3.282
190 1HD2 LEU 26 1HD2 LEU 26 -10.707 -3.744 2.174
191 2HD2 LEU 26 2HD2 LEU 26 -9.619 -3.864 3.571
192 3HD2 LEU 26 3HD2 LEU 26 -9.426 -4.956 2.181
193 H ASN 27 H ASN 27 -11.021 1.305 1.699
194 HA ASN 27 HA ASN 27 -12.135 1.362 4.510
195 1HB ASN 27 1HB ASN 27 -10.056 2.638 4.306
196 2HB ASN 27 2HB ASN 27 -10.711 3.549 2.944
197 1HD2 ASN 27 2HD2 ASN 27 -11.075 5.620 3.678
198 2HD2 ASN 27 1HD2 ASN 27 -11.731 5.993 5.241
199 H VAL 28 H VAL 28 -12.405 2.639 1.178
200 HA VAL 28 HA VAL 28 -14.981 3.900 1.722
201 HB VAL 28 HB VAL 28 -13.698 3.247 -0.968
202 1HG1 VAL 28 1HG1 VAL 28 -16.143 3.933 -1.029
203 2HG1 VAL 28 2HG1 VAL 28 -15.701 5.453 -0.248
204 3HG1 VAL 28 3HG1 VAL 28 -15.071 5.056 -1.862
205 1HG2 VAL 28 1HG2 VAL 28 -12.827 5.540 -0.993
206 2HG2 VAL 28 2HG2 VAL 28 -13.506 5.852 0.615
207 3HG2 VAL 28 3HG2 VAL 28 -12.176 4.708 0.411
208 H VAL 29 H VAL 29 -13.863 0.731 0.378
209 HA VAL 29 HA VAL 29 -16.427 -0.023 -0.524
210 HB VAL 29 HB VAL 29 -13.911 -0.790 -0.930
211 1HG1 VAL 29 1HG1 VAL 29 -13.447 -3.074 -0.253
212 2HG1 VAL 29 2HG1 VAL 29 -13.456 -1.973 1.117
213 3HG1 VAL 29 3HG1 VAL 29 -14.841 -3.062 0.838
214 1HG2 VAL 29 1HG2 VAL 29 -14.781 -2.634 -2.257
215 2HG2 VAL 29 2HG2 VAL 29 -16.244 -2.730 -1.242
216 3HG2 VAL 29 3HG2 VAL 29 -15.956 -1.308 -2.266
217 H THR 30 H THR 30 -14.636 -0.791 2.412
218 HA THR 30 HA THR 30 -16.541 -2.468 3.549
219 HB THR 30 HB THR 30 -15.347 -1.935 5.618
220 HG1 THR 30 HG1 THR 30 -14.491 0.000 5.468
221 1HG2 THR 30 1HG2 THR 30 -13.346 -3.162 5.017
222 2HG2 THR 30 2HG2 THR 30 -13.429 -2.592 3.347
223 3HG2 THR 30 3HG2 THR 30 -14.632 -3.743 3.952
224 H ARG 31 H ARG 31 -16.433 1.007 3.460
225 HA ARG 31 HA ARG 31 -18.283 1.557 5.497
226 1HB ARG 31 1HB ARG 31 -16.843 3.051 3.683
227 2HB ARG 31 2HB ARG 31 -18.453 3.209 3.004
228 1HG ARG 31 1HG ARG 31 -17.627 3.939 5.842
229 2HG ARG 31 2HG ARG 31 -17.735 5.054 4.490
230 1HD ARG 31 1HD ARG 31 -20.232 4.401 4.332
231 2HD ARG 31 2HD ARG 31 -20.003 3.597 5.887
232 HE ARG 31 HE ARG 31 -20.081 5.617 6.942
233 1HH1 ARG 31 1HH1 ARG 31 -19.548 6.357 3.482
234 2HH1 ARG 31 2HH1 ARG 31 -19.417 8.061 3.801
235 1HH2 ARG 31 1HH2 ARG 31 -20.025 7.799 7.235
236 2HH2 ARG 31 2HH2 ARG 31 -19.686 8.900 5.918
237 H HIS 32 H HIS 32 -18.835 -0.180 2.717
238 HA HIS 32 HA HIS 32 -21.754 -0.057 2.966
239 1HB HIS 32 1HB HIS 32 -19.912 0.292 0.597
240 2HB HIS 32 2HB HIS 32 -21.373 -0.605 0.333
241 HD1 HIS 32 HD1 HIS 32 -23.681 0.863 1.426
242 HD2 HIS 32 HD2 HIS 32 -20.099 2.857 0.427
243 HE1 HIS 32 HE1 HIS 32 -24.277 3.324 1.126
244 H ARG 33 H ARG 33 -19.119 -1.888 3.318
245 HA ARG 33 HA ARG 33 -20.474 -4.347 3.636
246 1HB ARG 33 1HB ARG 33 -20.612 -4.431 1.203
247 2HB ARG 33 2HB ARG 33 -18.869 -4.229 1.048
248 1HG ARG 33 1HG ARG 33 -18.463 -6.425 1.927
249 2HG ARG 33 2HG ARG 33 -20.099 -6.555 2.590
250 1HD ARG 33 1HD ARG 33 -21.046 -6.845 0.434
251 2HD ARG 33 2HD ARG 33 -19.612 -6.230 -0.380
252 HE ARG 33 HE ARG 33 -19.757 -8.795 1.150
253 1HH1 ARG 33 1HH1 ARG 33 -18.346 -6.940 -1.565
254 2HH1 ARG 33 2HH1 ARG 33 -17.459 -8.273 -2.188
255 1HH2 ARG 33 1HH2 ARG 33 -18.374 -10.435 0.526
256 2HH2 ARG 33 2HH2 ARG 33 -17.467 -10.367 -0.935
257 H TYR 34 H TYR 34 -19.081 -3.686 5.636
258 HA TYR 34 HA TYR 34 -16.203 -4.199 5.410
259 1HB TYR 34 1HB TYR 34 -16.838 -2.556 7.062
260 2HB TYR 34 2HB TYR 34 -18.142 -3.563 7.668
261 HD1 TYR 34 HD1 TYR 34 -17.806 -5.285 9.243
262 HD2 TYR 34 HD2 TYR 34 -14.378 -3.323 7.509
263 HE1 TYR 34 HE1 TYR 34 -16.363 -6.509 10.774
264 HE2 TYR 34 HE2 TYR 34 -12.893 -4.553 9.072
265 HH TYR 34 HH TYR 34 -14.215 -6.931 11.430
266 1HN NH2 35 1H NH2 35 -19.259 -5.826 6.361
267 2HN NH2 35 2H NH2 35 -18.521 -7.412 6.556
268 3HM EAB 10 3HM AZT 10 14.758 -2.168 5.357
269 2HM EAB 10 2HM AZT 10 14.740 -1.396 6.933
270 HL EAB 10 HL AZT 10 11.497 -1.522 7.193
271 HK2 EAB 10 HK2 AZT 10 10.181 -3.370 8.170
272 HJ2 EAB 10 HJ2 AZT 10 11.030 -5.704 8.110
273 HG1 EAB 10 HG1 AZT 10 15.635 -7.764 4.350
274 HG2 EAB 10 HG2 AZT 10 16.409 -11.652 6.048
275 HD2 EAB 10 HD2 AZT 10 15.016 -11.082 7.998
276 HE EAB 10 HE AZT 10 13.981 -8.834 8.178
277 2HA EAB 10 2HA AZT 10 17.901 -10.638 4.319
278 3HA EAB 10 3HA AZT 10 17.381 -9.192 3.446
279 1HN EAB 10 H AZT 10 16.170 -10.478 2.014
280 HJ1 EAB 10 HJ1 AZT 10 14.622 -4.296 6.190
Start of MODEL 15
1 1H GLY 1 H GLY 1 -0.477 -6.421 -16.291
2 1HA GLY 1 1HA GLY 1 -0.655 -6.041 -13.891
3 2HA GLY 1 2HA GLY 1 -0.855 -7.770 -14.285
4 HA PRO 2 HA PRO 2 2.936 -6.798 -11.560
5 1HB PRO 2 1HB PRO 2 1.993 -7.218 -9.018
6 2HB PRO 2 2HB PRO 2 1.963 -5.641 -9.876
7 1HG PRO 2 1HG PRO 2 -0.259 -7.662 -9.621
8 2HG PRO 2 2HG PRO 2 -0.333 -5.905 -9.318
9 1HD PRO 2 1HD PRO 2 -1.122 -7.020 -11.681
10 2HD PRO 2 2HD PRO 2 -0.306 -5.422 -11.632
11 H SER 3 H SER 3 4.295 -8.397 -11.148
12 HA SER 3 HA SER 3 3.599 -11.038 -10.295
13 1HB SER 3 1HB SER 3 3.154 -11.099 -12.798
14 2HB SER 3 2HB SER 3 4.830 -10.603 -13.066
15 HG SER 3 HG SER 3 4.364 -12.900 -13.167
16 H GLN 4 H GLN 4 5.697 -12.129 -9.944
17 HA GLN 4 HA GLN 4 7.688 -12.204 -8.891
18 1HB GLN 4 1HB GLN 4 8.698 -10.480 -11.174
19 2HB GLN 4 2HB GLN 4 9.569 -11.692 -10.225
20 1HG GLN 4 1HG GLN 4 7.930 -13.430 -11.152
21 2HG GLN 4 2HG GLN 4 7.324 -12.170 -12.227
22 1HE2 GLN 4 2HE2 GLN 4 10.376 -13.781 -11.264
23 2HE2 GLN 4 1HE2 GLN 4 11.096 -13.777 -12.867
24 HA PRO 5 HA PRO 5 7.182 -7.956 -6.980
25 1HB PRO 5 1HB PRO 5 6.468 -8.720 -4.462
26 2HB PRO 5 2HB PRO 5 5.282 -8.595 -5.796
27 1HG PRO 5 1HG PRO 5 6.723 -11.071 -4.793
28 2HG PRO 5 2HG PRO 5 4.970 -10.873 -5.107
29 1HD PRO 5 1HD PRO 5 6.635 -12.005 -6.934
30 2HD PRO 5 2HD PRO 5 5.286 -10.947 -7.441
31 H THR 6 H THR 6 8.564 -6.995 -5.356
32 HA THR 6 HA THR 6 10.916 -8.684 -4.594
33 HB THR 6 HB THR 6 12.133 -6.512 -4.520
34 HG1 THR 6 HG1 THR 6 9.627 -5.551 -5.050
35 1HG2 THR 6 1HG2 THR 6 12.248 -7.962 -6.494
36 2HG2 THR 6 2HG2 THR 6 12.363 -6.251 -6.928
37 3HG2 THR 6 3HG2 THR 6 10.847 -7.133 -7.215
38 H TYR 7 H TYR 7 11.990 -8.157 -2.574
39 HA TYR 7 HA TYR 7 10.119 -7.175 -0.475
40 1HB TYR 7 1HB TYR 7 11.330 -8.786 1.010
41 2HB TYR 7 2HB TYR 7 10.315 -9.502 -0.219
42 HD1 TYR 7 HD1 TYR 7 11.179 -11.185 -1.634
43 HD2 TYR 7 HD2 TYR 7 13.889 -8.678 0.586
44 HE1 TYR 7 HE1 TYR 7 13.054 -12.638 -2.296
45 HE2 TYR 7 HE2 TYR 7 15.767 -10.116 -0.052
46 HH TYR 7 HH TYR 7 16.439 -12.007 -1.240
47 HA PRO 8 HA PRO 8 13.241 -4.251 0.462
48 1HB PRO 8 1HB PRO 8 12.922 -3.714 3.118
49 2HB PRO 8 2HB PRO 8 11.674 -3.315 1.901
50 1HG PRO 8 1HG PRO 8 11.802 -5.732 3.727
51 2HG PRO 8 2HG PRO 8 10.396 -4.669 3.383
52 1HD PRO 8 1HD PRO 8 10.855 -7.066 2.126
53 2HD PRO 8 2HD PRO 8 9.996 -5.706 1.335
54 H GLY 9 H GLY 9 15.277 -3.860 1.748
55 1HA GLY 9 1HA GLY 9 16.334 -5.880 3.439
56 2HA GLY 9 2HA GLY 9 16.991 -6.040 1.791
57 HA PRO 11 HA PRO 11 12.075 6.545 4.682
58 1HB PRO 11 1HB PRO 11 10.642 5.315 2.716
59 2HB PRO 11 2HB PRO 11 12.325 5.865 2.460
60 1HG PRO 11 1HG PRO 11 11.388 3.065 3.131
61 2HG PRO 11 2HG PRO 11 12.564 3.571 1.882
62 1HD PRO 11 1HD PRO 11 13.303 2.670 4.382
63 2HD PRO 11 2HD PRO 11 14.260 3.879 3.474
64 H VAL 12 H VAL 12 10.021 6.951 5.740
65 HA VAL 12 HA VAL 12 8.593 4.559 6.726
66 HB VAL 12 HB VAL 12 8.458 6.618 8.688
67 1HG1 VAL 12 1HG1 VAL 12 9.281 4.843 10.181
68 2HG1 VAL 12 2HG1 VAL 12 8.161 4.133 9.021
69 3HG1 VAL 12 3HG1 VAL 12 9.904 3.931 8.793
70 1HG2 VAL 12 1HG2 VAL 12 10.636 6.809 9.619
71 2HG2 VAL 12 2HG2 VAL 12 11.345 5.815 8.335
72 3HG2 VAL 12 3HG2 VAL 12 10.704 7.431 7.965
73 H GLU 13 H GLU 13 8.196 8.174 6.762
74 HA GLU 13 HA GLU 13 5.345 7.862 6.507
75 1HB GLU 13 1HB GLU 13 6.680 9.884 7.387
76 2HB GLU 13 2HB GLU 13 7.032 10.287 5.704
77 1HG GLU 13 1HG GLU 13 4.445 10.198 5.409
78 2HG GLU 13 2HG GLU 13 4.382 10.217 7.178
79 H ASP 14 H ASP 14 7.922 8.709 4.297
80 HA ASP 14 HA ASP 14 6.418 8.845 1.889
81 1HB ASP 14 1HB ASP 14 9.402 8.452 2.207
82 2HB ASP 14 2HB ASP 14 8.561 9.238 0.869
83 H LEU 15 H LEU 15 6.696 6.200 3.603
84 HA LEU 15 HA LEU 15 7.207 4.306 1.354
85 1HB LEU 15 1HB LEU 15 8.892 3.986 3.043
86 2HB LEU 15 2HB LEU 15 7.702 4.010 4.340
87 HG LEU 15 HG LEU 15 6.737 1.883 3.565
88 1HD1 LEU 15 1HD1 LEU 15 8.017 0.593 1.801
89 2HD1 LEU 15 2HD1 LEU 15 8.879 2.096 1.409
90 3HD1 LEU 15 3HD1 LEU 15 7.114 1.977 1.177
91 1HD2 LEU 15 1HD2 LEU 15 9.763 1.652 3.777
92 2HD2 LEU 15 2HD2 LEU 15 8.539 0.448 4.233
93 3HD2 LEU 15 3HD2 LEU 15 8.678 1.963 5.139
94 H ILE 16 H ILE 16 5.388 4.561 4.492
95 HA ILE 16 HA ILE 16 3.473 2.625 3.905
96 HB ILE 16 HB ILE 16 2.095 3.742 5.639
97 1HG1 ILE 16 1HG1 ILE 16 4.135 5.972 5.732
98 2HG1 ILE 16 2HG1 ILE 16 2.554 6.107 4.979
99 1HG2 ILE 16 1HG2 ILE 16 3.959 2.209 6.192
100 2HG2 ILE 16 2HG2 ILE 16 5.067 3.568 6.331
101 3HG2 ILE 16 3HG2 ILE 16 3.700 3.411 7.458
102 1HD1 ILE 16 1HD1 ILE 16 1.467 5.590 7.152
103 2HD1 ILE 16 2HD1 ILE 16 3.068 5.566 7.925
104 3HD1 ILE 16 3HD1 ILE 16 2.460 7.058 7.189
105 H ARG 17 H ARG 17 3.519 5.844 2.534
106 HA ARG 17 HA ARG 17 0.795 5.999 1.772
107 1HB ARG 17 1HB ARG 17 3.261 6.953 0.271
108 2HB ARG 17 2HB ARG 17 1.615 7.479 -0.076
109 1HG ARG 17 1HG ARG 17 1.443 8.739 1.929
110 2HG ARG 17 2HG ARG 17 2.873 7.971 2.635
111 1HD ARG 17 1HD ARG 17 4.255 8.940 0.757
112 2HD ARG 17 2HD ARG 17 2.833 9.855 0.235
113 HE ARG 17 HE ARG 17 3.044 10.504 2.876
114 1HH1 ARG 17 1HH1 ARG 17 5.479 10.616 0.213
115 2HH1 ARG 17 2HH1 ARG 17 6.554 11.550 1.197
116 1HH2 ARG 17 1HH2 ARG 17 4.441 12.124 3.912
117 2HH2 ARG 17 2HH2 ARG 17 5.851 12.632 3.040
118 H PHE 18 H PHE 18 3.348 4.178 0.481
119 HA PHE 18 HA PHE 18 2.107 3.500 -2.036
120 1HB PHE 18 1HB PHE 18 4.647 3.502 -1.322
121 2HB PHE 18 2HB PHE 18 4.320 1.867 -0.758
122 HD1 PHE 18 HD1 PHE 18 3.596 4.030 -3.780
123 HD2 PHE 18 HD2 PHE 18 4.936 0.180 -2.345
124 HE1 PHE 18 HE1 PHE 18 3.982 3.306 -6.089
125 HE2 PHE 18 HE2 PHE 18 5.408 -0.508 -4.670
126 HZ PHE 18 HZ PHE 18 4.906 1.057 -6.569
127 H TYR 19 H TYR 19 1.398 2.439 1.045
128 HA TYR 19 HA TYR 19 0.160 -0.072 -0.017
129 1HB TYR 19 1HB TYR 19 2.057 -0.084 1.854
130 2HB TYR 19 2HB TYR 19 0.752 0.345 2.906
131 HD1 TYR 19 HD1 TYR 19 -0.716 -1.412 3.756
132 HD2 TYR 19 HD2 TYR 19 1.668 -2.124 0.236
133 HE1 TYR 19 HE1 TYR 19 -1.279 -3.825 3.856
134 HE2 TYR 19 HE2 TYR 19 1.067 -4.518 0.304
135 HH TYR 19 HH TYR 19 -0.623 -5.994 3.055
136 H ASN 20 H ASN 20 -0.155 2.813 1.955
137 HA ASN 20 HA ASN 20 -2.825 2.488 2.864
138 1HB ASN 20 1HB ASN 20 -1.010 4.876 2.410
139 2HB ASN 20 2HB ASN 20 -2.669 5.100 2.909
140 1HD2 ASN 20 2HD2 ASN 20 -0.391 5.845 4.468
141 2HD2 ASN 20 1HD2 ASN 20 -0.476 4.914 5.959
142 H ASP 21 H ASP 21 -1.482 3.798 -0.188
143 HA ASP 21 HA ASP 21 -3.841 4.962 -1.257
144 1HB ASP 21 1HB ASP 21 -1.697 5.334 -2.274
145 2HB ASP 21 2HB ASP 21 -1.400 3.596 -2.456
146 H LEU 22 H LEU 22 -2.569 1.653 -1.299
147 HA LEU 22 HA LEU 22 -4.617 0.543 -2.993
148 1HB LEU 22 1HB LEU 22 -2.729 -0.850 -1.100
149 2HB LEU 22 2HB LEU 22 -3.669 -1.622 -2.374
150 HG LEU 22 HG LEU 22 -1.468 0.466 -2.779
151 1HD1 LEU 22 1HD1 LEU 22 -1.407 -2.512 -3.366
152 2HD1 LEU 22 2HD1 LEU 22 -0.638 -1.726 -1.972
153 3HD1 LEU 22 3HD1 LEU 22 -0.101 -1.320 -3.601
154 1HD2 LEU 22 1HD2 LEU 22 -3.038 -1.163 -4.823
155 2HD2 LEU 22 2HD2 LEU 22 -1.603 -0.180 -5.184
156 3HD2 LEU 22 3HD2 LEU 22 -3.081 0.603 -4.622
157 H GLN 23 H GLN 23 -4.057 0.651 0.552
158 HA GLN 23 HA GLN 23 -6.386 -0.766 1.355
159 1HB GLN 23 1HB GLN 23 -4.799 1.438 2.742
160 2HB GLN 23 2HB GLN 23 -6.150 0.613 3.497
161 1HG GLN 23 1HG GLN 23 -4.970 -1.552 3.336
162 2HG GLN 23 2HG GLN 23 -3.576 -0.735 2.614
163 1HE2 GLN 23 2HE2 GLN 23 -5.731 -0.580 5.532
164 2HE2 GLN 23 1HE2 GLN 23 -4.501 0.049 6.611
165 H GLN 24 H GLN 24 -6.311 2.292 -0.226
166 HA GLN 24 HA GLN 24 -8.451 3.686 1.011
167 1HB GLN 24 1HB GLN 24 -6.824 4.487 -0.688
168 2HB GLN 24 2HB GLN 24 -7.644 3.502 -1.917
169 1HG GLN 24 1HG GLN 24 -9.619 4.891 -1.798
170 2HG GLN 24 2HG GLN 24 -8.958 5.788 -0.423
171 1HE2 GLN 24 2HE2 GLN 24 -6.413 5.066 -2.684
172 2HE2 GLN 24 1HE2 GLN 24 -6.291 6.685 -3.290
173 H TYR 25 H TYR 25 -8.380 1.161 -1.539
174 HA TYR 25 HA TYR 25 -11.188 0.899 -1.938
175 1HB TYR 25 1HB TYR 25 -9.178 0.081 -3.362
176 2HB TYR 25 2HB TYR 25 -9.082 -1.269 -2.255
177 HD1 TYR 25 HD1 TYR 25 -11.117 0.456 -4.829
178 HD2 TYR 25 HD2 TYR 25 -10.698 -3.126 -2.453
179 HE1 TYR 25 HE1 TYR 25 -12.764 -0.674 -6.258
180 HE2 TYR 25 HE2 TYR 25 -12.403 -4.255 -3.858
181 HH TYR 25 HH TYR 25 -13.748 -2.707 -6.765
182 H LEU 26 H LEU 26 -9.423 0.118 0.983
183 HA LEU 26 HA LEU 26 -11.360 -1.978 1.625
184 1HB LEU 26 1HB LEU 26 -8.413 -1.475 2.058
185 2HB LEU 26 2HB LEU 26 -9.236 -1.796 3.540
186 HG LEU 26 HG LEU 26 -9.362 -3.459 1.048
187 1HD1 LEU 26 1HD1 LEU 26 -7.805 -5.044 2.140
188 2HD1 LEU 26 2HD1 LEU 26 -7.734 -3.993 3.572
189 3HD1 LEU 26 3HD1 LEU 26 -7.079 -3.440 2.014
190 1HD2 LEU 26 1HD2 LEU 26 -10.384 -4.028 3.872
191 2HD2 LEU 26 2HD2 LEU 26 -10.156 -5.310 2.686
192 3HD2 LEU 26 3HD2 LEU 26 -11.326 -4.020 2.368
193 H ASN 27 H ASN 27 -10.771 1.157 1.928
194 HA ASN 27 HA ASN 27 -12.017 1.469 4.657
195 1HB ASN 27 1HB ASN 27 -9.793 2.510 4.387
196 2HB ASN 27 2HB ASN 27 -10.388 3.438 3.002
197 1HD2 ASN 27 2HD2 ASN 27 -10.226 5.565 3.888
198 2HD2 ASN 27 1HD2 ASN 27 -10.905 5.998 5.429
199 H VAL 28 H VAL 28 -12.163 2.538 1.257
200 HA VAL 28 HA VAL 28 -14.638 4.021 1.708
201 HB VAL 28 HB VAL 28 -13.041 3.320 -0.792
202 1HG1 VAL 28 1HG1 VAL 28 -15.342 3.754 -1.461
203 2HG1 VAL 28 2HG1 VAL 28 -15.400 5.216 -0.458
204 3HG1 VAL 28 3HG1 VAL 28 -14.347 5.151 -1.888
205 1HG2 VAL 28 1HG2 VAL 28 -13.254 5.911 0.811
206 2HG2 VAL 28 2HG2 VAL 28 -11.835 4.837 0.765
207 3HG2 VAL 28 3HG2 VAL 28 -12.334 5.683 -0.697
208 H VAL 29 H VAL 29 -13.729 0.799 0.218
209 HA VAL 29 HA VAL 29 -16.369 0.348 -0.707
210 HB VAL 29 HB VAL 29 -13.914 -0.789 -0.990
211 1HG1 VAL 29 1HG1 VAL 29 -15.463 -2.954 0.456
212 2HG1 VAL 29 2HG1 VAL 29 -13.988 -3.171 -0.502
213 3HG1 VAL 29 3HG1 VAL 29 -13.927 -2.205 0.970
214 1HG2 VAL 29 1HG2 VAL 29 -15.788 -0.759 -2.599
215 2HG2 VAL 29 2HG2 VAL 29 -14.956 -2.317 -2.565
216 3HG2 VAL 29 3HG2 VAL 29 -16.533 -2.129 -1.754
217 H THR 30 H THR 30 -14.757 -0.508 2.304
218 HA THR 30 HA THR 30 -16.882 -1.980 3.440
219 HB THR 30 HB THR 30 -15.605 -1.322 5.566
220 HG1 THR 30 HG1 THR 30 -13.347 -0.637 4.674
221 1HG2 THR 30 1HG2 THR 30 -13.689 -2.798 5.047
222 2HG2 THR 30 2HG2 THR 30 -14.032 -2.667 3.310
223 3HG2 THR 30 3HG2 THR 30 -15.187 -3.465 4.400
224 H ARG 31 H ARG 31 -16.232 1.499 3.222
225 HA ARG 31 HA ARG 31 -18.028 2.268 5.205
226 1HB ARG 31 1HB ARG 31 -16.321 3.659 3.649
227 2HB ARG 31 2HB ARG 31 -17.741 3.902 2.667
228 1HG ARG 31 1HG ARG 31 -17.664 5.802 3.991
229 2HG ARG 31 2HG ARG 31 -18.862 4.841 4.850
230 1HD ARG 31 1HD ARG 31 -15.889 4.811 5.505
231 2HD ARG 31 2HD ARG 31 -16.990 6.009 6.204
232 HE ARG 31 HE ARG 31 -18.091 3.461 6.701
233 1HH1 ARG 31 1HH1 ARG 31 -15.141 5.199 7.640
234 2HH1 ARG 31 2HH1 ARG 31 -15.310 4.852 9.335
235 1HH2 ARG 31 1HH2 ARG 31 -18.059 2.639 8.750
236 2HH2 ARG 31 2HH2 ARG 31 -16.958 3.216 9.986
237 H HIS 32 H HIS 32 -18.748 0.972 2.222
238 HA HIS 32 HA HIS 32 -21.650 1.483 2.563
239 1HB HIS 32 1HB HIS 32 -19.752 1.827 0.245
240 2HB HIS 32 2HB HIS 32 -21.324 1.215 -0.137
241 HD1 HIS 32 HD1 HIS 32 -22.904 3.201 -0.848
242 HD2 HIS 32 HD2 HIS 32 -19.990 4.212 2.035
243 HE1 HIS 32 HE1 HIS 32 -23.259 5.632 -0.280
244 H ARG 33 H ARG 33 -19.481 -0.895 2.737
245 HA ARG 33 HA ARG 33 -21.473 -2.951 2.437
246 1HB ARG 33 1HB ARG 33 -20.487 -2.350 -0.013
247 2HB ARG 33 2HB ARG 33 -19.220 -3.455 0.481
248 1HG ARG 33 1HG ARG 33 -21.100 -5.123 1.081
249 2HG ARG 33 2HG ARG 33 -22.230 -3.964 0.378
250 1HD ARG 33 1HD ARG 33 -20.944 -4.146 -1.792
251 2HD ARG 33 2HD ARG 33 -19.928 -5.373 -1.043
252 HE ARG 33 HE ARG 33 -21.603 -6.912 -1.086
253 1HH1 ARG 33 1HH1 ARG 33 -22.925 -3.822 -2.258
254 2HH1 ARG 33 2HH1 ARG 33 -24.408 -4.525 -2.821
255 1HH2 ARG 33 1HH2 ARG 33 -23.732 -7.699 -1.402
256 2HH2 ARG 33 2HH2 ARG 33 -24.906 -6.751 -2.273
257 H TYR 34 H TYR 34 -19.521 -2.162 4.592
258 HA TYR 34 HA TYR 34 -17.374 -3.990 4.670
259 1HB TYR 34 1HB TYR 34 -17.213 -3.584 6.989
260 2HB TYR 34 2HB TYR 34 -17.599 -2.072 6.238
261 HD1 TYR 34 HD1 TYR 34 -19.898 -1.051 6.542
262 HD2 TYR 34 HD2 TYR 34 -18.711 -4.695 8.520
263 HE1 TYR 34 HE1 TYR 34 -21.779 -0.790 8.117
264 HE2 TYR 34 HE2 TYR 34 -20.620 -4.458 10.069
265 HH TYR 34 HH TYR 34 -22.738 -1.597 10.121
266 1HN NH2 35 1H NH2 35 -20.808 -4.433 5.710
267 2HN NH2 35 2H NH2 35 -20.643 -6.155 5.912
268 3HM EAB 10 3HM AZT 10 15.487 3.902 5.615
269 2HM EAB 10 2HM AZT 10 15.369 4.525 7.262
270 HL EAB 10 HL AZT 10 12.291 3.027 7.293
271 HK2 EAB 10 HK2 AZT 10 11.811 0.761 8.067
272 HJ2 EAB 10 HJ2 AZT 10 13.594 -0.947 8.221
273 HG1 EAB 10 HG1 AZT 10 18.002 -1.603 4.611
274 HG2 EAB 10 HG2 AZT 10 20.323 -4.802 6.344
275 HD2 EAB 10 HD2 AZT 10 19.550 -4.144 8.592
276 HE EAB 10 HE AZT 10 17.996 -2.223 8.873
277 2HA EAB 10 2HA AZT 10 20.585 -4.180 4.000
278 3HA EAB 10 3HA AZT 10 19.706 -2.808 3.285
279 1HN EAB 10 H AZT 10 18.587 -5.517 3.891
280 HJ1 EAB 10 HJ1 AZT 10 16.463 1.937 6.796
Start of MODEL 16
1 1H GLY 1 H GLY 1 -4.423 -13.581 -0.278
2 1HA GLY 1 1HA GLY 1 -5.907 -13.860 2.279
3 2HA GLY 1 2HA GLY 1 -4.152 -14.043 2.166
4 HA PRO 2 HA PRO 2 -5.391 -9.396 1.398
5 1HB PRO 2 1HB PRO 2 -7.028 -8.447 3.410
6 2HB PRO 2 2HB PRO 2 -7.580 -8.973 1.797
7 1HG PRO 2 1HG PRO 2 -7.540 -10.566 4.358
8 2HG PRO 2 2HG PRO 2 -8.882 -10.410 3.178
9 1HD PRO 2 1HD PRO 2 -7.243 -12.562 3.147
10 2HD PRO 2 2HD PRO 2 -7.757 -11.801 1.615
11 H SER 3 H SER 3 -5.203 -10.803 4.799
12 HA SER 3 HA SER 3 -3.634 -8.612 5.759
13 1HB SER 3 1HB SER 3 -4.044 -11.458 6.732
14 2HB SER 3 2HB SER 3 -2.971 -10.317 7.555
15 HG SER 3 HG SER 3 -5.535 -10.485 7.914
16 H GLN 4 H GLN 4 -1.518 -8.188 5.605
17 HA GLN 4 HA GLN 4 0.412 -10.165 4.575
18 1HB GLN 4 1HB GLN 4 -0.473 -8.962 2.637
19 2HB GLN 4 2HB GLN 4 -0.145 -7.409 3.406
20 1HG GLN 4 1HG GLN 4 1.540 -7.948 1.710
21 2HG GLN 4 2HG GLN 4 2.264 -7.833 3.312
22 1HE2 GLN 4 2HE2 GLN 4 1.527 -10.013 0.629
23 2HE2 GLN 4 1HE2 GLN 4 2.488 -11.348 1.260
24 HA PRO 5 HA PRO 5 1.864 -7.783 8.298
25 1HB PRO 5 1HB PRO 5 3.097 -9.811 9.622
26 2HB PRO 5 2HB PRO 5 1.325 -9.569 9.626
27 1HG PRO 5 1HG PRO 5 2.937 -11.457 7.895
28 2HG PRO 5 2HG PRO 5 1.464 -11.825 8.821
29 1HD PRO 5 1HD PRO 5 1.472 -11.215 6.150
30 2HD PRO 5 2HD PRO 5 0.106 -10.760 7.215
31 H THR 6 H THR 6 3.481 -6.444 7.532
32 HA THR 6 HA THR 6 5.806 -7.475 6.096
33 HB THR 6 HB THR 6 6.469 -5.052 6.165
34 HG1 THR 6 HG1 THR 6 5.088 -4.856 8.194
35 1HG2 THR 6 1HG2 THR 6 3.603 -5.527 5.224
36 2HG2 THR 6 2HG2 THR 6 5.078 -5.927 4.324
37 3HG2 THR 6 3HG2 THR 6 4.698 -4.229 4.690
38 H TYR 7 H TYR 7 7.918 -7.789 6.949
39 HA TYR 7 HA TYR 7 8.361 -6.837 9.725
40 1HB TYR 7 1HB TYR 7 7.611 -9.209 9.665
41 2HB TYR 7 2HB TYR 7 9.045 -9.608 8.727
42 HD1 TYR 7 HD1 TYR 7 11.021 -10.182 9.922
43 HD2 TYR 7 HD2 TYR 7 8.007 -7.798 11.863
44 HE1 TYR 7 HE1 TYR 7 12.188 -10.482 12.101
45 HE2 TYR 7 HE2 TYR 7 9.222 -7.980 14.006
46 HH TYR 7 HH TYR 7 10.889 -9.096 15.146
47 HA PRO 8 HA PRO 8 11.911 -5.649 7.005
48 1HB PRO 8 1HB PRO 8 12.240 -3.083 7.864
49 2HB PRO 8 2HB PRO 8 10.910 -3.523 6.748
50 1HG PRO 8 1HG PRO 8 10.782 -3.252 9.774
51 2HG PRO 8 2HG PRO 8 9.708 -2.496 8.557
52 1HD PRO 8 1HD PRO 8 9.057 -4.815 9.823
53 2HD PRO 8 2HD PRO 8 8.612 -4.533 8.111
54 H GLY 9 H GLY 9 14.159 -4.843 7.732
55 1HA GLY 9 1HA GLY 9 14.910 -4.500 10.379
56 2HA GLY 9 2HA GLY 9 14.911 -6.244 10.164
57 HA PRO 11 HA PRO 11 13.058 4.291 -2.186
58 1HB PRO 11 1HB PRO 11 11.422 4.281 -4.367
59 2HB PRO 11 2HB PRO 11 13.198 4.106 -4.495
60 1HG PRO 11 1HG PRO 11 11.109 1.911 -4.498
61 2HG PRO 11 2HG PRO 11 12.491 2.134 -5.624
62 1HD PRO 11 1HD PRO 11 12.621 0.448 -3.467
63 2HD PRO 11 2HD PRO 11 14.036 1.378 -4.025
64 H VAL 12 H VAL 12 12.117 3.971 -0.180
65 HA VAL 12 HA VAL 12 9.834 2.962 0.693
66 HB VAL 12 HB VAL 12 10.598 5.782 1.533
67 1HG1 VAL 12 1HG1 VAL 12 8.688 4.734 2.691
68 2HG1 VAL 12 2HG1 VAL 12 9.694 3.322 3.088
69 3HG1 VAL 12 3HG1 VAL 12 10.061 4.914 3.790
70 1HG2 VAL 12 1HG2 VAL 12 12.301 4.808 3.037
71 2HG2 VAL 12 2HG2 VAL 12 12.118 3.247 2.199
72 3HG2 VAL 12 3HG2 VAL 12 12.751 4.670 1.346
73 H GLU 13 H GLU 13 9.913 6.321 -0.604
74 HA GLU 13 HA GLU 13 7.243 6.884 -0.414
75 1HB GLU 13 1HB GLU 13 9.464 8.193 -1.182
76 2HB GLU 13 2HB GLU 13 8.827 7.905 -2.793
77 1HG GLU 13 1HG GLU 13 7.328 9.245 -0.496
78 2HG GLU 13 2HG GLU 13 8.267 10.120 -1.700
79 H ASP 14 H ASP 14 8.726 4.942 -2.985
80 HA ASP 14 HA ASP 14 6.385 5.056 -4.724
81 1HB ASP 14 1HB ASP 14 8.665 4.803 -5.594
82 2HB ASP 14 2HB ASP 14 8.838 3.268 -4.732
83 H LEU 15 H LEU 15 7.775 2.824 -2.337
84 HA LEU 15 HA LEU 15 5.874 0.710 -2.846
85 1HB LEU 15 1HB LEU 15 8.373 0.745 -1.895
86 2HB LEU 15 2HB LEU 15 7.559 0.901 -0.356
87 HG LEU 15 HG LEU 15 8.123 -1.368 -0.798
88 1HD1 LEU 15 1HD1 LEU 15 6.073 -2.556 -0.462
89 2HD1 LEU 15 2HD1 LEU 15 5.119 -1.292 -1.251
90 3HD1 LEU 15 3HD1 LEU 15 5.891 -0.973 0.313
91 1HD2 LEU 15 1HD2 LEU 15 6.442 -1.356 -3.320
92 2HD2 LEU 15 2HD2 LEU 15 7.407 -2.697 -2.669
93 3HD2 LEU 15 3HD2 LEU 15 8.205 -1.247 -3.275
94 H ILE 16 H ILE 16 6.280 3.138 -0.168
95 HA ILE 16 HA ILE 16 4.114 2.072 1.312
96 HB ILE 16 HB ILE 16 4.154 4.042 2.659
97 1HG1 ILE 16 1HG1 ILE 16 5.897 5.322 0.524
98 2HG1 ILE 16 2HG1 ILE 16 4.273 5.776 0.973
99 1HG2 ILE 16 1HG2 ILE 16 6.984 3.151 1.930
100 2HG2 ILE 16 2HG2 ILE 16 6.453 3.855 3.467
101 3HG2 ILE 16 3HG2 ILE 16 5.853 2.276 2.950
102 1HD1 ILE 16 1HD1 ILE 16 6.714 6.055 2.749
103 2HD1 ILE 16 2HD1 ILE 16 5.828 7.343 1.924
104 3HD1 ILE 16 3HD1 ILE 16 5.038 6.432 3.224
105 H ARG 17 H ARG 17 3.993 4.269 -1.459
106 HA ARG 17 HA ARG 17 1.355 5.184 -0.827
107 1HB ARG 17 1HB ARG 17 2.924 6.284 -2.404
108 2HB ARG 17 2HB ARG 17 2.686 4.954 -3.552
109 1HG ARG 17 1HG ARG 17 0.355 5.513 -3.826
110 2HG ARG 17 2HG ARG 17 0.404 6.699 -2.528
111 1HD ARG 17 1HD ARG 17 1.840 6.893 -5.201
112 2HD ARG 17 2HD ARG 17 0.400 7.798 -4.727
113 HE ARG 17 HE ARG 17 3.174 8.221 -3.931
114 1HH1 ARG 17 1HH1 ARG 17 -0.247 9.148 -3.236
115 2HH1 ARG 17 2HH1 ARG 17 0.230 10.462 -2.201
116 1HH2 ARG 17 1HH2 ARG 17 3.716 9.957 -2.433
117 2HH2 ARG 17 2HH2 ARG 17 2.419 10.947 -1.827
118 H PHE 18 H PHE 18 2.451 2.341 -2.319
119 HA PHE 18 HA PHE 18 -0.183 1.488 -3.173
120 1HB PHE 18 1HB PHE 18 2.023 0.809 -4.238
121 2HB PHE 18 2HB PHE 18 2.273 -0.283 -2.879
122 HD1 PHE 18 HD1 PHE 18 -0.303 0.598 -5.505
123 HD2 PHE 18 HD2 PHE 18 1.474 -2.521 -3.110
124 HE1 PHE 18 HE1 PHE 18 -1.741 -1.083 -6.614
125 HE2 PHE 18 HE2 PHE 18 -0.013 -4.182 -4.181
126 HZ PHE 18 HZ PHE 18 -1.622 -3.480 -5.944
127 H TYR 19 H TYR 19 0.806 1.881 -0.132
128 HA TYR 19 HA TYR 19 -0.869 -0.350 0.898
129 1HB TYR 19 1HB TYR 19 1.781 -0.297 1.355
130 2HB TYR 19 2HB TYR 19 1.259 0.739 2.680
131 HD1 TYR 19 HD1 TYR 19 -1.157 -0.354 3.758
132 HD2 TYR 19 HD2 TYR 19 2.129 -2.509 1.980
133 HE1 TYR 19 HE1 TYR 19 -1.880 -2.384 4.918
134 HE2 TYR 19 HE2 TYR 19 1.407 -4.575 3.143
135 HH TYR 19 HH TYR 19 -1.218 -4.555 5.543
136 H ASN 20 H ASN 20 0.386 3.006 1.428
137 HA ASN 20 HA ASN 20 -1.518 3.758 3.359
138 1HB ASN 20 1HB ASN 20 0.112 5.278 1.292
139 2HB ASN 20 2HB ASN 20 -1.112 6.109 2.246
140 1HD2 ASN 20 2HD2 ASN 20 2.008 6.108 2.261
141 2HD2 ASN 20 1HD2 ASN 20 2.286 6.083 4.012
142 H ASP 21 H ASP 21 -1.695 3.879 -0.276
143 HA ASP 21 HA ASP 21 -4.332 5.065 -0.249
144 1HB ASP 21 1HB ASP 21 -2.932 3.454 -2.383
145 2HB ASP 21 2HB ASP 21 -4.382 4.422 -2.619
146 H LEU 22 H LEU 22 -3.104 1.805 0.199
147 HA LEU 22 HA LEU 22 -5.467 0.409 -0.729
148 1HB LEU 22 1HB LEU 22 -3.227 -0.639 -0.644
149 2HB LEU 22 2HB LEU 22 -3.247 -0.538 1.117
150 HG LEU 22 HG LEU 22 -5.085 -2.095 1.291
151 1HD1 LEU 22 1HD1 LEU 22 -5.097 -2.087 -1.744
152 2HD1 LEU 22 2HD1 LEU 22 -6.428 -1.641 -0.659
153 3HD1 LEU 22 3HD1 LEU 22 -5.902 -3.319 -0.742
154 1HD2 LEU 22 1HD2 LEU 22 -3.897 -4.084 0.403
155 2HD2 LEU 22 2HD2 LEU 22 -2.796 -2.941 1.170
156 3HD2 LEU 22 3HD2 LEU 22 -2.872 -3.018 -0.597
157 H GLN 23 H GLN 23 -4.415 2.002 2.252
158 HA GLN 23 HA GLN 23 -6.427 0.887 3.996
159 1HB GLN 23 1HB GLN 23 -5.232 3.674 4.103
160 2HB GLN 23 2HB GLN 23 -5.976 2.801 5.434
161 1HG GLN 23 1HG GLN 23 -3.294 2.222 4.126
162 2HG GLN 23 2HG GLN 23 -3.569 2.944 5.695
163 1HE2 GLN 23 2HE2 GLN 23 -1.882 0.818 5.712
164 2HE2 GLN 23 1HE2 GLN 23 -2.695 -0.535 6.483
165 H GLN 24 H GLN 24 -6.321 3.745 1.837
166 HA GLN 24 HA GLN 24 -8.939 4.659 2.461
167 1HB GLN 24 1HB GLN 24 -7.103 5.125 0.096
168 2HB GLN 24 2HB GLN 24 -8.769 5.698 0.086
169 1HG GLN 24 1HG GLN 24 -7.305 7.483 0.849
170 2HG GLN 24 2HG GLN 24 -8.428 6.989 2.117
171 1HE2 GLN 24 2HE2 GLN 24 -5.020 7.083 1.133
172 2HE2 GLN 24 1HE2 GLN 24 -4.446 6.078 2.444
173 H TYR 25 H TYR 25 -7.787 2.314 0.020
174 HA TYR 25 HA TYR 25 -10.346 1.760 -1.202
175 1HB TYR 25 1HB TYR 25 -7.794 0.963 -1.687
176 2HB TYR 25 2HB TYR 25 -8.333 -0.432 -0.775
177 HD1 TYR 25 HD1 TYR 25 -9.114 1.706 -3.756
178 HD2 TYR 25 HD2 TYR 25 -9.556 -2.181 -1.931
179 HE1 TYR 25 HE1 TYR 25 -10.105 0.853 -5.841
180 HE2 TYR 25 HE2 TYR 25 -10.587 -3.035 -4.004
181 HH TYR 25 HH TYR 25 -11.255 -2.530 -6.204
182 H LEU 26 H LEU 26 -8.705 0.205 1.747
183 HA LEU 26 HA LEU 26 -11.013 -1.299 2.163
184 1HB LEU 26 1HB LEU 26 -8.883 -2.204 2.878
185 2HB LEU 26 2HB LEU 26 -8.335 -0.641 3.454
186 HG LEU 26 HG LEU 26 -9.816 -0.786 5.346
187 1HD1 LEU 26 1HD1 LEU 26 -11.368 -2.646 4.482
188 2HD1 LEU 26 2HD1 LEU 26 -10.659 -3.053 6.050
189 3HD1 LEU 26 3HD1 LEU 26 -10.003 -3.763 4.568
190 1HD2 LEU 26 1HD2 LEU 26 -7.683 -2.933 5.095
191 2HD2 LEU 26 2HD2 LEU 26 -8.368 -2.357 6.632
192 3HD2 LEU 26 3HD2 LEU 26 -7.469 -1.238 5.604
193 H ASN 27 H ASN 27 -10.577 1.987 2.753
194 HA ASN 27 HA ASN 27 -12.642 1.964 4.894
195 1HB ASN 27 1HB ASN 27 -10.446 3.222 5.082
196 2HB ASN 27 2HB ASN 27 -11.003 4.283 3.798
197 1HD2 ASN 27 2HD2 ASN 27 -11.431 6.234 4.904
198 2HD2 ASN 27 1HD2 ASN 27 -12.452 6.335 6.318
199 H VAL 28 H VAL 28 -12.269 2.699 1.588
200 HA VAL 28 HA VAL 28 -15.013 3.892 1.499
201 HB VAL 28 HB VAL 28 -12.690 4.288 -0.432
202 1HG1 VAL 28 1HG1 VAL 28 -14.801 4.695 -1.591
203 2HG1 VAL 28 2HG1 VAL 28 -15.377 5.714 -0.255
204 3HG1 VAL 28 3HG1 VAL 28 -14.013 6.233 -1.270
205 1HG2 VAL 28 1HG2 VAL 28 -13.744 6.108 1.778
206 2HG2 VAL 28 2HG2 VAL 28 -12.134 5.364 1.703
207 3HG2 VAL 28 3HG2 VAL 28 -12.567 6.595 0.534
208 H VAL 29 H VAL 29 -13.122 1.202 0.009
209 HA VAL 29 HA VAL 29 -15.196 0.819 -1.980
210 HB VAL 29 HB VAL 29 -12.648 -0.680 -1.266
211 1HG1 VAL 29 1HG1 VAL 29 -13.011 -1.928 -3.401
212 2HG1 VAL 29 2HG1 VAL 29 -14.235 -2.354 -2.209
213 3HG1 VAL 29 3HG1 VAL 29 -14.640 -1.241 -3.536
214 1HG2 VAL 29 1HG2 VAL 29 -12.045 0.257 -3.496
215 2HG2 VAL 29 2HG2 VAL 29 -13.578 1.105 -3.575
216 3HG2 VAL 29 3HG2 VAL 29 -12.380 1.526 -2.331
217 H THR 30 H THR 30 -14.088 -1.284 0.635
218 HA THR 30 HA THR 30 -16.313 -3.086 0.424
219 HB THR 30 HB THR 30 -15.214 -3.895 2.625
220 HG1 THR 30 HG1 THR 30 -13.802 -2.365 3.170
221 1HG2 THR 30 1HG2 THR 30 -15.011 -4.998 0.394
222 2HG2 THR 30 2HG2 THR 30 -13.507 -5.096 1.301
223 3HG2 THR 30 3HG2 THR 30 -13.689 -3.922 -0.029
224 H ARG 31 H ARG 31 -15.635 -0.210 2.357
225 HA ARG 31 HA ARG 31 -17.792 -0.438 4.119
226 1HB ARG 31 1HB ARG 31 -15.725 1.147 3.991
227 2HB ARG 31 2HB ARG 31 -16.735 2.195 3.010
228 1HG ARG 31 1HG ARG 31 -17.361 1.284 5.858
229 2HG ARG 31 2HG ARG 31 -16.468 2.744 5.446
230 1HD ARG 31 1HD ARG 31 -18.596 3.387 4.058
231 2HD ARG 31 2HD ARG 31 -19.399 2.164 5.079
232 HE ARG 31 HE ARG 31 -17.850 3.931 6.702
233 1HH1 ARG 31 1HH1 ARG 31 -20.956 3.812 4.917
234 2HH1 ARG 31 2HH1 ARG 31 -21.618 5.148 5.803
235 1HH2 ARG 31 1HH2 ARG 31 -18.778 5.570 7.870
236 2HH2 ARG 31 2HH2 ARG 31 -20.455 6.032 7.671
237 H HIS 32 H HIS 32 -17.852 0.051 0.832
238 HA HIS 32 HA HIS 32 -20.635 1.086 0.809
239 1HB HIS 32 1HB HIS 32 -18.308 1.766 -0.748
240 2HB HIS 32 2HB HIS 32 -19.498 1.101 -1.836
241 HD1 HIS 32 HD1 HIS 32 -21.717 2.521 -2.195
242 HD2 HIS 32 HD2 HIS 32 -19.161 3.866 0.871
243 HE1 HIS 32 HE1 HIS 32 -22.650 4.774 -1.424
244 H ARG 33 H ARG 33 -20.428 -1.306 1.768
245 HA ARG 33 HA ARG 33 -20.928 -3.483 1.658
246 1HB ARG 33 1HB ARG 33 -23.079 -4.007 0.607
247 2HB ARG 33 2HB ARG 33 -23.140 -2.557 1.602
248 1HG ARG 33 1HG ARG 33 -23.242 -1.103 -0.295
249 2HG ARG 33 2HG ARG 33 -22.740 -2.375 -1.414
250 1HD ARG 33 1HD ARG 33 -24.854 -3.627 -0.793
251 2HD ARG 33 2HD ARG 33 -25.375 -2.121 0.003
252 HE ARG 33 HE ARG 33 -24.438 -1.671 -2.700
253 1HH1 ARG 33 1HH1 ARG 33 -27.235 -2.992 -0.968
254 2HH1 ARG 33 2HH1 ARG 33 -28.374 -2.433 -2.159
255 1HH2 ARG 33 1HH2 ARG 33 -25.833 -1.214 -4.337
256 2HH2 ARG 33 2HH2 ARG 33 -27.540 -1.406 -4.200
257 H TYR 34 H TYR 34 -18.731 -3.594 0.550
258 HA TYR 34 HA TYR 34 -19.113 -5.201 -1.936
259 1HB TYR 34 1HB TYR 34 -18.082 -2.704 -1.935
260 2HB TYR 34 2HB TYR 34 -16.615 -3.591 -1.548
261 HD1 TYR 34 HD1 TYR 34 -15.345 -4.571 -3.301
262 HD2 TYR 34 HD2 TYR 34 -19.474 -3.450 -3.944
263 HE1 TYR 34 HE1 TYR 34 -15.061 -4.933 -5.711
264 HE2 TYR 34 HE2 TYR 34 -19.177 -3.761 -6.375
265 HH TYR 34 HH TYR 34 -16.186 -5.091 -7.744
266 1HN NH2 35 1H NH2 35 -17.118 -6.576 -2.349
267 2HN NH2 35 2H NH2 35 -16.334 -7.313 -0.955
268 3HM EAB 10 3HM AZT 10 14.039 -0.194 -2.012
269 2HM EAB 10 2HM AZT 10 15.368 0.730 -1.329
270 HL EAB 10 HL AZT 10 12.340 -1.294 -0.493
271 HK2 EAB 10 HK2 AZT 10 12.316 -2.904 1.381
272 HJ2 EAB 10 HJ2 AZT 10 14.144 -2.911 3.029
273 HG1 EAB 10 HG1 AZT 10 16.542 -4.140 5.210
274 HG2 EAB 10 HG2 AZT 10 20.005 -3.103 7.538
275 HD2 EAB 10 HD2 AZT 10 20.236 -0.996 6.220
276 HE EAB 10 HE AZT 10 18.578 -0.435 4.465
277 2HA EAB 10 2HA AZT 10 18.804 -5.093 8.036
278 3HA EAB 10 3HA AZT 10 18.198 -5.876 6.564
279 1HN EAB 10 H AZT 10 15.919 -5.097 7.185
280 HJ1 EAB 10 HJ1 AZT 10 16.070 0.333 0.897
Start of MODEL 17
1 1H GLY 1 H GLY 1 12.165 9.594 -11.130
2 1HA GLY 1 1HA GLY 1 14.057 8.298 -12.058
3 2HA GLY 1 2HA GLY 1 13.162 7.411 -10.823
4 HA PRO 2 HA PRO 2 13.030 4.180 -13.847
5 1HB PRO 2 1HB PRO 2 10.908 2.676 -12.806
6 2HB PRO 2 2HB PRO 2 12.594 2.626 -12.230
7 1HG PRO 2 1HG PRO 2 10.310 4.209 -11.113
8 2HG PRO 2 2HG PRO 2 11.530 3.242 -10.223
9 1HD PRO 2 1HD PRO 2 11.747 5.918 -10.433
10 2HD PRO 2 2HD PRO 2 13.212 4.904 -10.582
11 H SER 3 H SER 3 12.139 4.062 -15.821
12 HA SER 3 HA SER 3 9.407 5.141 -16.291
13 1HB SER 3 1HB SER 3 10.276 5.740 -18.510
14 2HB SER 3 2HB SER 3 11.226 6.488 -17.219
15 HG SER 3 HG SER 3 12.261 5.229 -19.111
16 H GLN 4 H GLN 4 10.924 2.157 -16.132
17 HA GLN 4 HA GLN 4 8.791 0.864 -17.559
18 1HB GLN 4 1HB GLN 4 10.135 -0.397 -19.195
19 2HB GLN 4 2HB GLN 4 9.926 1.289 -19.594
20 1HG GLN 4 1HG GLN 4 12.186 1.835 -19.121
21 2HG GLN 4 2HG GLN 4 12.471 0.349 -18.235
22 1HE2 GLN 4 2HE2 GLN 4 11.965 -1.790 -19.719
23 2HE2 GLN 4 1HE2 GLN 4 12.658 -1.673 -21.315
24 HA PRO 5 HA PRO 5 11.087 -1.389 -14.113
25 1HB PRO 5 1HB PRO 5 9.008 -1.707 -12.357
26 2HB PRO 5 2HB PRO 5 9.990 -0.211 -12.416
27 1HG PRO 5 1HG PRO 5 7.354 -0.753 -13.811
28 2HG PRO 5 2HG PRO 5 7.740 0.633 -12.770
29 1HD PRO 5 1HD PRO 5 7.927 0.848 -15.445
30 2HD PRO 5 2HD PRO 5 9.197 1.568 -14.410
31 H THR 6 H THR 6 10.976 -3.589 -13.698
32 HA THR 6 HA THR 6 8.798 -5.194 -14.897
33 HB THR 6 HB THR 6 11.623 -6.124 -15.164
34 HG1 THR 6 HG1 THR 6 11.922 -4.202 -15.978
35 1HG2 THR 6 1HG2 THR 6 9.704 -7.548 -15.893
36 2HG2 THR 6 2HG2 THR 6 10.773 -7.125 -17.244
37 3HG2 THR 6 3HG2 THR 6 9.218 -6.285 -17.043
38 H TYR 7 H TYR 7 8.856 -4.479 -12.397
39 HA TYR 7 HA TYR 7 9.231 -4.850 -10.186
40 1HB TYR 7 1HB TYR 7 7.169 -5.897 -10.779
41 2HB TYR 7 2HB TYR 7 7.984 -7.416 -11.158
42 HD1 TYR 7 HD1 TYR 7 7.116 -8.945 -9.592
43 HD2 TYR 7 HD2 TYR 7 8.472 -5.113 -8.200
44 HE1 TYR 7 HE1 TYR 7 6.634 -9.615 -7.252
45 HE2 TYR 7 HE2 TYR 7 8.052 -5.794 -5.855
46 HH TYR 7 HH TYR 7 6.324 -8.795 -5.124
47 HA PRO 8 HA PRO 8 13.110 -7.396 -10.219
48 1HB PRO 8 1HB PRO 8 14.891 -5.510 -9.362
49 2HB PRO 8 2HB PRO 8 14.388 -5.644 -11.075
50 1HG PRO 8 1HG PRO 8 13.263 -3.780 -8.959
51 2HG PRO 8 2HG PRO 8 13.859 -3.350 -10.585
52 1HD PRO 8 1HD PRO 8 11.213 -3.765 -10.069
53 2HD PRO 8 2HD PRO 8 11.946 -4.288 -11.619
54 H GLY 9 H GLY 9 14.494 -7.809 -8.236
55 1HA GLY 9 1HA GLY 9 13.450 -6.917 -5.631
56 2HA GLY 9 2HA GLY 9 13.366 -8.646 -6.052
57 HA PRO 11 HA PRO 11 13.099 2.844 -0.456
58 1HB PRO 11 1HB PRO 11 10.814 2.131 -1.771
59 2HB PRO 11 2HB PRO 11 12.352 2.432 -2.638
60 1HG PRO 11 1HG PRO 11 11.120 -0.222 -1.867
61 2HG PRO 11 2HG PRO 11 11.930 0.250 -3.394
62 1HD PRO 11 1HD PRO 11 13.171 -1.142 -1.335
63 2HD PRO 11 2HD PRO 11 14.042 -0.094 -2.497
64 H VAL 12 H VAL 12 11.813 3.433 1.442
65 HA VAL 12 HA VAL 12 10.098 1.361 2.593
66 HB VAL 12 HB VAL 12 10.940 2.893 4.650
67 1HG1 VAL 12 1HG1 VAL 12 12.145 0.880 5.455
68 2HG1 VAL 12 2HG1 VAL 12 10.654 0.418 4.623
69 3HG1 VAL 12 3HG1 VAL 12 12.221 0.268 3.791
70 1HG2 VAL 12 1HG2 VAL 12 13.543 2.362 3.244
71 2HG2 VAL 12 2HG2 VAL 12 12.790 3.963 3.507
72 3HG2 VAL 12 3HG2 VAL 12 13.308 2.988 4.884
73 H GLU 13 H GLU 13 11.098 4.843 2.773
74 HA GLU 13 HA GLU 13 8.540 5.749 3.446
75 1HB GLU 13 1HB GLU 13 11.033 6.762 3.426
76 2HB GLU 13 2HB GLU 13 10.510 7.456 1.888
77 1HG GLU 13 1HG GLU 13 8.673 8.595 3.000
78 2HG GLU 13 2HG GLU 13 8.991 7.755 4.516
79 H ASP 14 H ASP 14 10.047 5.188 0.321
80 HA ASP 14 HA ASP 14 7.887 6.274 -1.301
81 1HB ASP 14 1HB ASP 14 10.218 4.415 -1.956
82 2HB ASP 14 2HB ASP 14 9.145 5.141 -3.154
83 H LEU 15 H LEU 15 8.592 3.190 0.182
84 HA LEU 15 HA LEU 15 6.854 1.599 -1.571
85 1HB LEU 15 1HB LEU 15 8.967 0.710 -0.754
86 2HB LEU 15 2HB LEU 15 8.491 0.938 0.916
87 HG LEU 15 HG LEU 15 6.622 -0.704 -0.761
88 1HD1 LEU 15 1HD1 LEU 15 8.024 -2.738 -0.535
89 2HD1 LEU 15 2HD1 LEU 15 9.371 -1.720 0.030
90 3HD1 LEU 15 3HD1 LEU 15 8.728 -1.524 -1.614
91 1HD2 LEU 15 1HD2 LEU 15 6.678 -2.125 1.354
92 2HD2 LEU 15 2HD2 LEU 15 6.105 -0.478 1.599
93 3HD2 LEU 15 3HD2 LEU 15 7.762 -0.922 2.055
94 H ILE 16 H ILE 16 6.862 2.621 1.910
95 HA ILE 16 HA ILE 16 4.381 1.384 2.498
96 HB ILE 16 HB ILE 16 4.323 2.781 4.489
97 1HG1 ILE 16 1HG1 ILE 16 6.434 4.415 3.060
98 2HG1 ILE 16 2HG1 ILE 16 4.928 4.929 3.779
99 1HG2 ILE 16 1HG2 ILE 16 7.143 1.752 3.983
100 2HG2 ILE 16 2HG2 ILE 16 6.302 1.929 5.541
101 3HG2 ILE 16 3HG2 ILE 16 5.736 0.747 4.358
102 1HD1 ILE 16 1HD1 ILE 16 5.862 4.508 6.034
103 2HD1 ILE 16 2HD1 ILE 16 7.413 4.033 5.285
104 3HD1 ILE 16 3HD1 ILE 16 6.815 5.679 5.086
105 H ARG 17 H ARG 17 5.033 4.498 0.915
106 HA ARG 17 HA ARG 17 2.282 5.362 1.305
107 1HB ARG 17 1HB ARG 17 2.873 7.306 0.104
108 2HB ARG 17 2HB ARG 17 4.274 6.891 1.069
109 1HG ARG 17 1HG ARG 17 5.307 5.826 -0.949
110 2HG ARG 17 2HG ARG 17 3.899 6.292 -1.922
111 1HD ARG 17 1HD ARG 17 5.681 7.830 -2.319
112 2HD ARG 17 2HD ARG 17 4.384 8.672 -1.483
113 HE ARG 17 HE ARG 17 5.990 7.887 0.595
114 1HH1 ARG 17 1HH1 ARG 17 7.168 9.129 -2.495
115 2HH1 ARG 17 2HH1 ARG 17 8.386 10.106 -1.816
116 1HH2 ARG 17 1HH2 ARG 17 7.527 9.194 1.537
117 2HH2 ARG 17 2HH2 ARG 17 8.694 10.041 0.519
118 H PHE 18 H PHE 18 3.908 3.605 -1.097
119 HA PHE 18 HA PHE 18 1.795 3.671 -3.051
120 1HB PHE 18 1HB PHE 18 4.133 3.073 -3.631
121 2HB PHE 18 2HB PHE 18 4.009 1.609 -2.669
122 HD1 PHE 18 HD1 PHE 18 1.889 3.215 -5.384
123 HD2 PHE 18 HD2 PHE 18 3.952 -0.301 -4.019
124 HE1 PHE 18 HE1 PHE 18 0.978 1.962 -7.288
125 HE2 PHE 18 HE2 PHE 18 3.001 -1.580 -5.923
126 HZ PHE 18 HZ PHE 18 1.497 -0.468 -7.550
127 H TYR 19 H TYR 19 2.388 1.776 -0.195
128 HA TYR 19 HA TYR 19 0.219 -0.130 -0.715
129 1HB TYR 19 1HB TYR 19 2.525 -0.448 0.512
130 2HB TYR 19 2HB TYR 19 1.707 0.229 1.897
131 HD1 TYR 19 HD1 TYR 19 0.428 -1.212 3.296
132 HD2 TYR 19 HD2 TYR 19 1.276 -2.420 -0.752
133 HE1 TYR 19 HE1 TYR 19 -0.379 -3.502 3.798
134 HE2 TYR 19 HE2 TYR 19 0.351 -4.658 -0.292
135 HH TYR 19 HH TYR 19 -0.539 -6.056 1.336
136 H ASN 20 H ASN 20 0.841 2.671 1.405
137 HA ASN 20 HA ASN 20 -1.517 2.390 2.999
138 1HB ASN 20 1HB ASN 20 0.432 4.623 2.504
139 2HB ASN 20 2HB ASN 20 -1.154 5.060 3.103
140 1HD2 ASN 20 2HD2 ASN 20 1.601 2.925 3.804
141 2HD2 ASN 20 1HD2 ASN 20 1.139 2.584 5.466
142 H ASP 21 H ASP 21 -1.078 3.811 -0.229
143 HA ASP 21 HA ASP 21 -3.643 5.092 -0.201
144 1HB ASP 21 1HB ASP 21 -1.785 4.266 -2.435
145 2HB ASP 21 2HB ASP 21 -3.369 4.972 -2.750
146 H LEU 22 H LEU 22 -2.813 1.742 -0.383
147 HA LEU 22 HA LEU 22 -5.235 0.852 -1.717
148 1HB LEU 22 1HB LEU 22 -3.460 -0.761 0.141
149 2HB LEU 22 2HB LEU 22 -4.599 -1.361 -1.050
150 HG LEU 22 HG LEU 22 -2.016 0.122 -1.716
151 1HD1 LEU 22 1HD1 LEU 22 -1.590 -2.055 -0.742
152 2HD1 LEU 22 2HD1 LEU 22 -1.294 -2.153 -2.486
153 3HD1 LEU 22 3HD1 LEU 22 -2.788 -2.819 -1.785
154 1HD2 LEU 22 1HD2 LEU 22 -2.432 -0.617 -4.030
155 2HD2 LEU 22 2HD2 LEU 22 -3.702 0.462 -3.466
156 3HD2 LEU 22 3HD2 LEU 22 -4.020 -1.276 -3.551
157 H GLN 23 H GLN 23 -4.544 2.065 1.445
158 HA GLN 23 HA GLN 23 -6.418 0.521 3.053
159 1HB GLN 23 1HB GLN 23 -5.415 3.380 3.359
160 2HB GLN 23 2HB GLN 23 -6.250 2.459 4.598
161 1HG GLN 23 1HG GLN 23 -3.649 1.383 3.430
162 2HG GLN 23 2HG GLN 23 -3.643 2.638 4.649
163 1HE2 GLN 23 2HE2 GLN 23 -4.947 -0.771 4.088
164 2HE2 GLN 23 1HE2 GLN 23 -4.802 -1.105 5.819
165 H GLN 24 H GLN 24 -6.659 3.213 0.805
166 HA GLN 24 HA GLN 24 -9.221 4.191 1.454
167 1HB GLN 24 1HB GLN 24 -7.730 3.955 -1.192
168 2HB GLN 24 2HB GLN 24 -9.243 4.823 -1.002
169 1HG GLN 24 1HG GLN 24 -6.713 5.477 0.580
170 2HG GLN 24 2HG GLN 24 -7.202 6.285 -0.912
171 1HE2 GLN 24 2HE2 GLN 24 -7.452 6.529 2.485
172 2HE2 GLN 24 1HE2 GLN 24 -9.042 7.296 2.560
173 H TYR 25 H TYR 25 -8.230 1.371 -0.580
174 HA TYR 25 HA TYR 25 -10.872 0.809 -1.543
175 1HB TYR 25 1HB TYR 25 -8.589 -0.132 -2.331
176 2HB TYR 25 2HB TYR 25 -8.714 -1.274 -1.004
177 HD1 TYR 25 HD1 TYR 25 -10.771 0.140 -3.796
178 HD2 TYR 25 HD2 TYR 25 -9.765 -3.384 -1.534
179 HE1 TYR 25 HE1 TYR 25 -12.108 -1.221 -5.359
180 HE2 TYR 25 HE2 TYR 25 -11.202 -4.752 -3.046
181 HH TYR 25 HH TYR 25 -12.692 -3.362 -5.986
182 H LEU 26 H LEU 26 -9.079 -0.727 1.207
183 HA LEU 26 HA LEU 26 -11.390 -2.040 2.102
184 1HB LEU 26 1HB LEU 26 -9.599 -3.016 3.186
185 2HB LEU 26 2HB LEU 26 -8.607 -1.610 2.924
186 HG LEU 26 HG LEU 26 -9.756 -0.582 5.004
187 1HD1 LEU 26 1HD1 LEU 26 -10.136 -3.567 5.617
188 2HD1 LEU 26 2HD1 LEU 26 -11.486 -2.497 5.246
189 3HD1 LEU 26 3HD1 LEU 26 -10.503 -2.203 6.692
190 1HD2 LEU 26 1HD2 LEU 26 -7.811 -2.883 5.274
191 2HD2 LEU 26 2HD2 LEU 26 -8.093 -1.595 6.464
192 3HD2 LEU 26 3HD2 LEU 26 -7.411 -1.193 4.880
193 H ASN 27 H ASN 27 -10.666 1.331 2.488
194 HA ASN 27 HA ASN 27 -12.637 1.617 4.682
195 1HB ASN 27 1HB ASN 27 -10.340 2.798 4.484
196 2HB ASN 27 2HB ASN 27 -11.048 3.755 3.179
197 1HD2 ASN 27 2HD2 ASN 27 -11.282 5.808 4.129
198 2HD2 ASN 27 1HD2 ASN 27 -11.887 6.076 5.729
199 H VAL 28 H VAL 28 -12.507 2.292 1.230
200 HA VAL 28 HA VAL 28 -15.110 3.698 1.355
201 HB VAL 28 HB VAL 28 -13.077 3.255 -0.866
202 1HG1 VAL 28 1HG1 VAL 28 -15.268 3.489 -1.913
203 2HG1 VAL 28 2HG1 VAL 28 -15.596 4.941 -0.945
204 3HG1 VAL 28 3HG1 VAL 28 -14.310 4.950 -2.162
205 1HG2 VAL 28 1HG2 VAL 28 -12.310 4.845 0.902
206 2HG2 VAL 28 2HG2 VAL 28 -12.643 5.691 -0.607
207 3HG2 VAL 28 3HG2 VAL 28 -13.812 5.762 0.728
208 H VAL 29 H VAL 29 -13.705 0.533 0.314
209 HA VAL 29 HA VAL 29 -16.063 -0.191 -1.167
210 HB VAL 29 HB VAL 29 -13.512 -1.177 -0.990
211 1HG1 VAL 29 1HG1 VAL 29 -15.092 -3.292 0.457
212 2HG1 VAL 29 2HG1 VAL 29 -13.505 -3.473 -0.292
213 3HG1 VAL 29 3HG1 VAL 29 -13.692 -2.368 1.072
214 1HG2 VAL 29 1HG2 VAL 29 -15.072 -1.441 -2.870
215 2HG2 VAL 29 2HG2 VAL 29 -14.265 -2.970 -2.496
216 3HG2 VAL 29 3HG2 VAL 29 -15.946 -2.700 -1.973
217 H THR 30 H THR 30 -14.951 -0.940 2.101
218 HA THR 30 HA THR 30 -17.151 -2.417 2.925
219 HB THR 30 HB THR 30 -16.435 -1.731 5.150
220 HG1 THR 30 HG1 THR 30 -14.114 -0.593 4.618
221 1HG2 THR 30 1HG2 THR 30 -14.246 -2.857 5.100
222 2HG2 THR 30 2HG2 THR 30 -14.159 -2.641 3.341
223 3HG2 THR 30 3HG2 THR 30 -15.411 -3.669 4.049
224 H ARG 31 H ARG 31 -16.726 1.084 2.893
225 HA ARG 31 HA ARG 31 -19.023 1.796 4.268
226 1HB ARG 31 1HB ARG 31 -17.400 3.123 2.098
227 2HB ARG 31 2HB ARG 31 -18.923 3.874 2.514
228 1HG ARG 31 1HG ARG 31 -16.824 3.197 4.611
229 2HG ARG 31 2HG ARG 31 -16.872 4.742 3.723
230 1HD ARG 31 1HD ARG 31 -19.232 5.050 4.473
231 2HD ARG 31 2HD ARG 31 -19.072 3.591 5.482
232 HE ARG 31 HE ARG 31 -16.968 5.222 6.217
233 1HH1 ARG 31 1HH1 ARG 31 -20.511 5.532 6.072
234 2HH1 ARG 31 2HH1 ARG 31 -20.605 6.604 7.453
235 1HH2 ARG 31 1HH2 ARG 31 -17.149 6.632 8.127
236 2HH2 ARG 31 2HH2 ARG 31 -18.703 7.276 8.555
237 H HIS 32 H HIS 32 -19.021 0.268 1.311
238 HA HIS 32 HA HIS 32 -21.954 0.451 1.069
239 1HB HIS 32 1HB HIS 32 -19.695 1.225 -0.798
240 2HB HIS 32 2HB HIS 32 -21.078 0.521 -1.518
241 HD1 HIS 32 HD1 HIS 32 -23.554 1.986 -0.663
242 HD2 HIS 32 HD2 HIS 32 -19.741 3.775 -0.386
243 HE1 HIS 32 HE1 HIS 32 -23.957 4.417 -0.524
244 H ARG 33 H ARG 33 -19.531 -1.599 1.623
245 HA ARG 33 HA ARG 33 -21.016 -3.858 0.557
246 1HB ARG 33 1HB ARG 33 -19.329 -2.713 -1.285
247 2HB ARG 33 2HB ARG 33 -18.193 -3.811 -0.536
248 1HG ARG 33 1HG ARG 33 -19.771 -5.716 -1.069
249 2HG ARG 33 2HG ARG 33 -20.881 -4.532 -1.794
250 1HD ARG 33 1HD ARG 33 -19.086 -3.864 -3.400
251 2HD ARG 33 2HD ARG 33 -18.041 -5.119 -2.715
252 HE ARG 33 HE ARG 33 -20.613 -6.131 -3.608
253 1HH1 ARG 33 1HH1 ARG 33 -17.406 -5.183 -4.833
254 2HH1 ARG 33 2HH1 ARG 33 -17.472 -6.304 -6.171
255 1HH2 ARG 33 1HH2 ARG 33 -20.723 -7.425 -5.466
256 2HH2 ARG 33 2HH2 ARG 33 -19.352 -7.569 -6.537
257 H TYR 34 H TYR 34 -19.847 -3.053 3.245
258 HA TYR 34 HA TYR 34 -17.727 -4.859 3.876
259 1HB TYR 34 1HB TYR 34 -18.434 -2.912 5.286
260 2HB TYR 34 2HB TYR 34 -19.920 -3.763 5.673
261 HD1 TYR 34 HD1 TYR 34 -19.785 -4.163 7.991
262 HD2 TYR 34 HD2 TYR 34 -16.320 -5.031 5.556
263 HE1 TYR 34 HE1 TYR 34 -18.607 -5.053 9.968
264 HE2 TYR 34 HE2 TYR 34 -15.165 -5.945 7.491
265 HH TYR 34 HH TYR 34 -15.273 -6.397 9.752
266 1HN NH2 35 1H NH2 35 -18.030 -6.879 5.355
267 2HN NH2 35 2H NH2 35 -19.317 -7.936 4.801
268 3HM EAB 10 3HM AZT 10 15.878 -0.592 -1.067
269 2HM EAB 10 2HM AZT 10 16.591 -0.125 0.475
270 HL EAB 10 HL AZT 10 13.621 -0.813 1.891
271 HK2 EAB 10 HK2 AZT 10 13.021 -2.948 2.956
272 HJ2 EAB 10 HJ2 AZT 10 14.168 -5.046 2.345
273 HG1 EAB 10 HG1 AZT 10 16.467 -6.333 -3.017
274 HG2 EAB 10 HG2 AZT 10 17.949 -10.323 -2.295
275 HD2 EAB 10 HD2 AZT 10 18.080 -9.829 0.133
276 HE EAB 10 HE AZT 10 17.357 -7.621 0.993
277 2HA EAB 10 2HA AZT 10 17.371 -9.679 -4.494
278 3HA EAB 10 3HA AZT 10 17.748 -7.972 -4.814
279 1HN EAB 10 H AZT 10 14.943 -8.748 -4.135
280 HJ1 EAB 10 HJ1 AZT 10 16.568 -2.892 -0.513
Start of MODEL 18
1 1H GLY 1 H GLY 1 15.410 -8.615 -17.698
2 1HA GLY 1 1HA GLY 1 15.940 -6.363 -18.492
3 2HA GLY 1 2HA GLY 1 14.401 -6.936 -19.134
4 HA PRO 2 HA PRO 2 13.451 -2.895 -17.264
5 1HB PRO 2 1HB PRO 2 11.442 -2.150 -18.939
6 2HB PRO 2 2HB PRO 2 13.170 -2.095 -19.412
7 1HG PRO 2 1HG PRO 2 11.142 -4.281 -19.991
8 2HG PRO 2 2HG PRO 2 12.257 -3.466 -21.142
9 1HD PRO 2 1HD PRO 2 12.853 -5.864 -19.996
10 2HD PRO 2 2HD PRO 2 14.121 -4.644 -20.314
11 H SER 3 H SER 3 11.653 -5.773 -17.287
12 HA SER 3 HA SER 3 9.107 -4.951 -16.320
13 1HB SER 3 1HB SER 3 9.451 -7.103 -17.301
14 2HB SER 3 2HB SER 3 10.751 -7.510 -16.170
15 HG SER 3 HG SER 3 8.212 -8.059 -15.991
16 H GLN 4 H GLN 4 11.832 -6.435 -14.509
17 HA GLN 4 HA GLN 4 11.244 -4.722 -12.171
18 1HB GLN 4 1HB GLN 4 11.521 -6.745 -10.721
19 2HB GLN 4 2HB GLN 4 10.035 -6.691 -11.654
20 1HG GLN 4 1HG GLN 4 10.930 -8.309 -13.279
21 2HG GLN 4 2HG GLN 4 12.465 -8.349 -12.419
22 1HE2 GLN 4 2HE2 GLN 4 10.563 -10.565 -13.005
23 2HE2 GLN 4 1HE2 GLN 4 10.255 -11.297 -11.442
24 HA PRO 5 HA PRO 5 15.784 -5.121 -13.285
25 1HB PRO 5 1HB PRO 5 16.402 -2.519 -13.785
26 2HB PRO 5 2HB PRO 5 15.707 -3.583 -15.029
27 1HG PRO 5 1HG PRO 5 14.286 -1.526 -13.341
28 2HG PRO 5 2HG PRO 5 14.093 -1.877 -15.081
29 1HD PRO 5 1HD PRO 5 12.417 -2.836 -13.067
30 2HD PRO 5 2HD PRO 5 12.670 -3.648 -14.637
31 H THR 6 H THR 6 16.005 -5.702 -11.085
32 HA THR 6 HA THR 6 15.358 -3.941 -8.924
33 HB THR 6 HB THR 6 16.652 -5.692 -7.609
34 HG1 THR 6 HG1 THR 6 16.664 -7.637 -9.324
35 1HG2 THR 6 1HG2 THR 6 14.196 -5.822 -8.017
36 2HG2 THR 6 2HG2 THR 6 14.957 -7.425 -7.932
37 3HG2 THR 6 3HG2 THR 6 14.493 -6.747 -9.498
38 H TYR 7 H TYR 7 16.844 -2.950 -7.418
39 HA TYR 7 HA TYR 7 19.515 -2.321 -8.548
40 1HB TYR 7 1HB TYR 7 17.933 -0.642 -9.382
41 2HB TYR 7 2HB TYR 7 17.402 -0.291 -7.744
42 HD1 TYR 7 HD1 TYR 7 18.298 1.708 -6.848
43 HD2 TYR 7 HD2 TYR 7 20.668 -0.606 -9.619
44 HE1 TYR 7 HE1 TYR 7 20.150 3.310 -6.586
45 HE2 TYR 7 HE2 TYR 7 22.527 0.994 -9.353
46 HH TYR 7 HH TYR 7 22.388 3.757 -7.071
47 HA PRO 8 HA PRO 8 19.460 -3.220 -3.961
48 1HB PRO 8 1HB PRO 8 21.330 -5.205 -3.897
49 2HB PRO 8 2HB PRO 8 19.613 -5.517 -4.305
50 1HG PRO 8 1HG PRO 8 21.936 -5.136 -6.221
51 2HG PRO 8 2HG PRO 8 20.695 -6.430 -6.227
52 1HD PRO 8 1HD PRO 8 20.482 -4.197 -7.796
53 2HD PRO 8 2HD PRO 8 19.051 -4.977 -7.070
54 H GLY 9 H GLY 9 20.886 -2.184 -2.593
55 1HA GLY 9 1HA GLY 9 23.698 -1.660 -3.320
56 2HA GLY 9 2HA GLY 9 22.630 -0.261 -3.302
57 HA PRO 11 HA PRO 11 11.598 5.164 -2.920
58 1HB PRO 11 1HB PRO 11 9.533 3.352 -2.873
59 2HB PRO 11 2HB PRO 11 10.819 3.359 -4.117
60 1HG PRO 11 1HG PRO 11 10.633 1.616 -1.649
61 2HG PRO 11 2HG PRO 11 11.031 1.126 -3.326
62 1HD PRO 11 1HD PRO 11 12.954 1.602 -1.432
63 2HD PRO 11 2HD PRO 11 13.215 1.988 -3.159
64 H VAL 12 H VAL 12 10.252 6.565 -1.614
65 HA VAL 12 HA VAL 12 9.399 5.519 0.981
66 HB VAL 12 HB VAL 12 9.852 8.226 1.281
67 1HG1 VAL 12 1HG1 VAL 12 11.361 7.504 3.054
68 2HG1 VAL 12 2HG1 VAL 12 10.096 6.292 2.924
69 3HG1 VAL 12 3HG1 VAL 12 11.696 5.971 2.204
70 1HG2 VAL 12 1HG2 VAL 12 11.443 8.305 -0.609
71 2HG2 VAL 12 2HG2 VAL 12 12.158 8.730 0.945
72 3HG2 VAL 12 3HG2 VAL 12 12.473 7.136 0.245
73 H GLU 13 H GLU 13 9.005 8.368 -1.294
74 HA GLU 13 HA GLU 13 6.394 8.868 -0.542
75 1HB GLU 13 1HB GLU 13 7.480 10.447 -1.937
76 2HB GLU 13 2HB GLU 13 7.921 9.233 -3.152
77 1HG GLU 13 1HG GLU 13 5.643 9.030 -3.920
78 2HG GLU 13 2HG GLU 13 5.048 10.011 -2.583
79 H ASP 14 H ASP 14 7.439 6.674 -3.161
80 HA ASP 14 HA ASP 14 4.764 5.843 -3.833
81 1HB ASP 14 1HB ASP 14 6.817 5.713 -5.287
82 2HB ASP 14 2HB ASP 14 7.376 4.356 -4.306
83 H LEU 15 H LEU 15 7.190 4.633 -1.580
84 HA LEU 15 HA LEU 15 6.012 2.083 -1.069
85 1HB LEU 15 1HB LEU 15 8.346 2.711 -0.464
86 2HB LEU 15 2HB LEU 15 7.724 3.874 0.708
87 HG LEU 15 HG LEU 15 6.577 1.928 1.907
88 1HD1 LEU 15 1HD1 LEU 15 6.627 0.267 0.086
89 2HD1 LEU 15 2HD1 LEU 15 7.543 -0.317 1.476
90 3HD1 LEU 15 3HD1 LEU 15 8.406 0.325 0.062
91 1HD2 LEU 15 1HD2 LEU 15 8.551 2.921 2.818
92 2HD2 LEU 15 2HD2 LEU 15 9.592 2.095 1.645
93 3HD2 LEU 15 3HD2 LEU 15 8.743 1.159 2.897
94 H ILE 16 H ILE 16 5.762 5.250 0.688
95 HA ILE 16 HA ILE 16 3.782 4.167 2.470
96 HB ILE 16 HB ILE 16 3.476 6.380 3.294
97 1HG1 ILE 16 1HG1 ILE 16 5.108 7.431 0.965
98 2HG1 ILE 16 2HG1 ILE 16 3.384 7.690 1.223
99 1HG2 ILE 16 1HG2 ILE 16 6.452 6.081 2.706
100 2HG2 ILE 16 2HG2 ILE 16 5.666 6.728 4.156
101 3HG2 ILE 16 3HG2 ILE 16 5.569 5.003 3.788
102 1HD1 ILE 16 1HD1 ILE 16 4.609 9.655 1.860
103 2HD1 ILE 16 2HD1 ILE 16 3.902 8.925 3.319
104 3HD1 ILE 16 3HD1 ILE 16 5.643 8.745 2.968
105 H ARG 17 H ARG 17 3.598 5.881 -0.667
106 HA ARG 17 HA ARG 17 0.785 6.166 -0.631
107 1HB ARG 17 1HB ARG 17 2.092 7.509 -2.087
108 2HB ARG 17 2HB ARG 17 2.885 6.120 -2.813
109 1HG ARG 17 1HG ARG 17 -0.077 6.462 -3.172
110 2HG ARG 17 2HG ARG 17 1.032 7.455 -4.112
111 1HD ARG 17 1HD ARG 17 1.802 5.735 -5.410
112 2HD ARG 17 2HD ARG 17 1.697 4.545 -4.120
113 HE ARG 17 HE ARG 17 -0.413 3.981 -4.729
114 1HH1 ARG 17 1HH1 ARG 17 0.316 7.022 -6.451
115 2HH1 ARG 17 2HH1 ARG 17 -1.310 7.168 -7.063
116 1HH2 ARG 17 1HH2 ARG 17 -2.348 4.097 -5.642
117 2HH2 ARG 17 2HH2 ARG 17 -2.824 5.337 -6.795
118 H PHE 18 H PHE 18 2.692 3.503 -1.526
119 HA PHE 18 HA PHE 18 0.452 2.035 -2.649
120 1HB PHE 18 1HB PHE 18 2.780 1.723 -3.442
121 2HB PHE 18 2HB PHE 18 3.174 0.944 -1.912
122 HD1 PHE 18 HD1 PHE 18 0.026 0.473 -4.010
123 HD2 PHE 18 HD2 PHE 18 3.740 -1.242 -2.623
124 HE1 PHE 18 HE1 PHE 18 -0.612 -1.681 -4.976
125 HE2 PHE 18 HE2 PHE 18 3.093 -3.418 -3.623
126 HZ PHE 18 HZ PHE 18 0.910 -3.650 -4.799
127 H TYR 19 H TYR 19 1.349 2.635 0.527
128 HA TYR 19 HA TYR 19 0.045 0.132 1.514
129 1HB TYR 19 1HB TYR 19 2.309 1.150 2.490
130 2HB TYR 19 2HB TYR 19 1.194 2.153 3.413
131 HD1 TYR 19 HD1 TYR 19 -0.299 1.099 5.137
132 HD2 TYR 19 HD2 TYR 19 2.273 -1.310 2.640
133 HE1 TYR 19 HE1 TYR 19 -0.766 -0.873 6.552
134 HE2 TYR 19 HE2 TYR 19 1.808 -3.272 4.046
135 HH TYR 19 HH TYR 19 -0.496 -3.275 6.763
136 H ASN 20 H ASN 20 -0.072 3.675 1.419
137 HA ASN 20 HA ASN 20 -2.404 4.154 2.949
138 1HB ASN 20 1HB ASN 20 -1.115 5.643 0.615
139 2HB ASN 20 2HB ASN 20 -2.546 6.221 1.437
140 1HD2 ASN 20 2HD2 ASN 20 -0.091 7.609 1.262
141 2HD2 ASN 20 1HD2 ASN 20 0.362 7.978 2.885
142 H ASP 21 H ASP 21 -1.981 3.842 -0.643
143 HA ASP 21 HA ASP 21 -4.745 4.084 -1.189
144 1HB ASP 21 1HB ASP 21 -4.252 3.480 -3.408
145 2HB ASP 21 2HB ASP 21 -3.027 4.590 -2.828
146 H LEU 22 H LEU 22 -2.750 1.244 -0.632
147 HA LEU 22 HA LEU 22 -4.647 -0.725 -1.228
148 1HB LEU 22 1HB LEU 22 -2.256 -1.132 -1.003
149 2HB LEU 22 2HB LEU 22 -2.310 -0.733 0.711
150 HG LEU 22 HG LEU 22 -3.746 -2.731 1.125
151 1HD1 LEU 22 1HD1 LEU 22 -4.767 -2.987 -1.150
152 2HD1 LEU 22 2HD1 LEU 22 -3.942 -4.466 -0.647
153 3HD1 LEU 22 3HD1 LEU 22 -3.166 -3.375 -1.807
154 1HD2 LEU 22 1HD2 LEU 22 -1.165 -3.357 -0.352
155 2HD2 LEU 22 2HD2 LEU 22 -1.969 -4.385 0.851
156 3HD2 LEU 22 3HD2 LEU 22 -1.278 -2.833 1.347
157 H GLN 23 H GLN 23 -4.241 1.170 1.754
158 HA GLN 23 HA GLN 23 -6.319 -0.489 3.083
159 1HB GLN 23 1HB GLN 23 -5.937 0.751 5.084
160 2HB GLN 23 2HB GLN 23 -4.415 0.133 4.471
161 1HG GLN 23 1HG GLN 23 -3.778 2.359 3.673
162 2HG GLN 23 2HG GLN 23 -5.347 3.018 4.119
163 1HE2 GLN 23 2HE2 GLN 23 -5.961 3.056 6.384
164 2HE2 GLN 23 1HE2 GLN 23 -4.689 3.315 7.567
165 H GLN 24 H GLN 24 -5.915 2.825 1.796
166 HA GLN 24 HA GLN 24 -8.328 3.880 2.718
167 1HB GLN 24 1HB GLN 24 -6.436 5.133 1.687
168 2HB GLN 24 2HB GLN 24 -6.924 4.530 0.096
169 1HG GLN 24 1HG GLN 24 -9.079 5.698 0.292
170 2HG GLN 24 2HG GLN 24 -8.719 6.145 1.958
171 1HE2 GLN 24 2HE2 GLN 24 -7.735 6.719 -1.458
172 2HE2 GLN 24 1HE2 GLN 24 -7.013 8.284 -1.129
173 H TYR 25 H TYR 25 -7.673 2.051 -0.302
174 HA TYR 25 HA TYR 25 -10.418 2.289 -1.250
175 1HB TYR 25 1HB TYR 25 -8.231 1.616 -2.533
176 2HB TYR 25 2HB TYR 25 -8.645 -0.022 -2.025
177 HD1 TYR 25 HD1 TYR 25 -10.131 3.093 -3.528
178 HD2 TYR 25 HD2 TYR 25 -10.184 -1.230 -3.470
179 HE1 TYR 25 HE1 TYR 25 -11.872 3.106 -5.265
180 HE2 TYR 25 HE2 TYR 25 -11.911 -1.221 -5.238
181 HH TYR 25 HH TYR 25 -13.327 1.861 -6.466
182 H LEU 26 H LEU 26 -8.743 -0.430 0.551
183 HA LEU 26 HA LEU 26 -11.126 -1.796 0.854
184 1HB LEU 26 1HB LEU 26 -9.273 -3.160 1.223
185 2HB LEU 26 2HB LEU 26 -8.309 -1.824 1.789
186 HG LEU 26 HG LEU 26 -9.476 -2.008 4.021
187 1HD1 LEU 26 1HD1 LEU 26 -11.242 -3.754 3.217
188 2HD1 LEU 26 2HD1 LEU 26 -10.328 -4.229 4.648
189 3HD1 LEU 26 3HD1 LEU 26 -9.918 -4.897 3.055
190 1HD2 LEU 26 1HD2 LEU 26 -7.123 -2.616 3.605
191 2HD2 LEU 26 2HD2 LEU 26 -7.656 -4.290 3.237
192 3HD2 LEU 26 3HD2 LEU 26 -7.899 -3.596 4.844
193 H ASN 27 H ASN 27 -10.551 1.174 2.262
194 HA ASN 27 HA ASN 27 -12.263 0.553 4.654
195 1HB ASN 27 1HB ASN 27 -10.020 1.565 5.029
196 2HB ASN 27 2HB ASN 27 -10.498 2.956 4.057
197 1HD2 ASN 27 2HD2 ASN 27 -10.601 4.574 5.626
198 2HD2 ASN 27 1HD2 ASN 27 -11.551 4.427 7.094
199 H VAL 28 H VAL 28 -12.034 2.411 1.719
200 HA VAL 28 HA VAL 28 -14.557 3.882 2.321
201 HB VAL 28 HB VAL 28 -12.509 4.197 0.092
202 1HG1 VAL 28 1HG1 VAL 28 -13.653 6.366 -0.376
203 2HG1 VAL 28 2HG1 VAL 28 -14.671 4.977 -0.736
204 3HG1 VAL 28 3HG1 VAL 28 -14.950 5.907 0.753
205 1HG2 VAL 28 1HG2 VAL 28 -11.936 6.302 1.273
206 2HG2 VAL 28 2HG2 VAL 28 -13.120 5.914 2.543
207 3HG2 VAL 28 3HG2 VAL 28 -11.675 4.919 2.334
208 H VAL 29 H VAL 29 -13.266 1.365 0.077
209 HA VAL 29 HA VAL 29 -15.586 1.288 -1.569
210 HB VAL 29 HB VAL 29 -13.062 0.284 -1.744
211 1HG1 VAL 29 1HG1 VAL 29 -12.987 -2.109 -1.829
212 2HG1 VAL 29 2HG1 VAL 29 -13.252 -1.541 -0.191
213 3HG1 VAL 29 3HG1 VAL 29 -14.603 -2.241 -1.123
214 1HG2 VAL 29 1HG2 VAL 29 -14.631 0.618 -3.617
215 2HG2 VAL 29 2HG2 VAL 29 -13.920 -1.000 -3.735
216 3HG2 VAL 29 3HG2 VAL 29 -15.574 -0.808 -3.118
217 H THR 30 H THR 30 -14.521 -0.606 1.208
218 HA THR 30 HA THR 30 -16.699 -2.279 1.457
219 HB THR 30 HB THR 30 -15.913 -2.361 3.860
220 HG1 THR 30 HG1 THR 30 -15.048 -0.512 4.369
221 1HG2 THR 30 1HG2 THR 30 -13.763 -3.388 3.377
222 2HG2 THR 30 2HG2 THR 30 -13.697 -2.605 1.792
223 3HG2 THR 30 3HG2 THR 30 -14.931 -3.843 2.123
224 H ARG 31 H ARG 31 -16.260 0.983 2.713
225 HA ARG 31 HA ARG 31 -18.464 1.055 4.390
226 1HB ARG 31 1HB ARG 31 -16.454 2.621 4.111
227 2HB ARG 31 2HB ARG 31 -17.371 3.455 2.856
228 1HG ARG 31 1HG ARG 31 -19.045 4.130 4.506
229 2HG ARG 31 2HG ARG 31 -18.303 3.075 5.738
230 1HD ARG 31 1HD ARG 31 -16.199 4.387 5.608
231 2HD ARG 31 2HD ARG 31 -16.936 5.447 4.389
232 HE ARG 31 HE ARG 31 -18.647 5.411 6.613
233 1HH1 ARG 31 1HH1 ARG 31 -15.477 6.818 5.706
234 2HH1 ARG 31 2HH1 ARG 31 -15.502 7.973 6.984
235 1HH2 ARG 31 1HH2 ARG 31 -18.756 7.001 8.087
236 2HH2 ARG 31 2HH2 ARG 31 -17.502 8.229 8.221
237 H HIS 32 H HIS 32 -18.533 0.986 1.062
238 HA HIS 32 HA HIS 32 -21.307 1.983 0.810
239 1HB HIS 32 1HB HIS 32 -19.012 1.407 -1.109
240 2HB HIS 32 2HB HIS 32 -20.641 1.627 -1.660
241 HD1 HIS 32 HD1 HIS 32 -20.836 4.021 -2.610
242 HD2 HIS 32 HD2 HIS 32 -18.473 3.707 0.873
243 HE1 HIS 32 HE1 HIS 32 -19.972 6.365 -2.095
244 H ARG 33 H ARG 33 -20.649 -0.502 2.271
245 HA ARG 33 HA ARG 33 -21.290 -2.647 2.502
246 1HB ARG 33 1HB ARG 33 -23.471 -1.509 2.140
247 2HB ARG 33 2HB ARG 33 -23.368 -1.911 0.433
248 1HG ARG 33 1HG ARG 33 -23.390 -4.359 1.068
249 2HG ARG 33 2HG ARG 33 -23.573 -3.883 2.750
250 1HD ARG 33 1HD ARG 33 -25.752 -4.467 1.694
251 2HD ARG 33 2HD ARG 33 -25.709 -2.789 2.232
252 HE ARG 33 HE ARG 33 -25.612 -2.017 0.028
253 1HH1 ARG 33 1HH1 ARG 33 -25.702 -5.619 -0.056
254 2HH1 ARG 33 2HH1 ARG 33 -25.928 -5.601 -1.791
255 1HH2 ARG 33 1HH2 ARG 33 -25.669 -2.156 -2.197
256 2HH2 ARG 33 2HH2 ARG 33 -25.914 -3.719 -2.977
257 H TYR 34 H TYR 34 -19.054 -2.626 1.233
258 HA TYR 34 HA TYR 34 -19.341 -4.614 -0.932
259 1HB TYR 34 1HB TYR 34 -18.706 -2.002 -1.524
260 2HB TYR 34 2HB TYR 34 -17.105 -2.664 -1.233
261 HD1 TYR 34 HD1 TYR 34 -16.048 -3.989 -2.966
262 HD2 TYR 34 HD2 TYR 34 -20.274 -3.142 -3.164
263 HE1 TYR 34 HE1 TYR 34 -16.163 -5.055 -5.192
264 HE2 TYR 34 HE2 TYR 34 -20.394 -4.194 -5.391
265 HH TYR 34 HH TYR 34 -19.196 -5.248 -7.113
266 1HN NH2 35 1H NH2 35 -17.039 -5.683 -1.293
267 2HN NH2 35 2H NH2 35 -16.172 -6.011 0.183
268 3HM EAB 10 3HM AZT 10 15.267 2.897 -1.973
269 2HM EAB 10 2HM AZT 10 15.811 4.289 -1.032
270 HL EAB 10 HL AZT 10 13.199 3.687 1.024
271 HK2 EAB 10 HK2 AZT 10 13.292 2.346 3.076
272 HJ2 EAB 10 HJ2 AZT 10 15.011 0.610 3.400
273 HG1 EAB 10 HG1 AZT 10 20.344 -0.372 0.383
274 HG2 EAB 10 HG2 AZT 10 21.421 -3.963 2.495
275 HD2 EAB 10 HD2 AZT 10 19.079 -4.164 3.327
276 HE EAB 10 HE AZT 10 17.407 -2.448 2.755
277 2HA EAB 10 2HA AZT 10 23.030 -2.893 1.165
278 3HA EAB 10 3HA AZT 10 22.858 -1.117 1.227
279 1HN EAB 10 H AZT 10 21.825 -2.743 -1.062
280 HJ1 EAB 10 HJ1 AZT 10 16.710 1.602 -0.439
Start of MODEL 19
1 1H GLY 1 H GLY 1 2.943 -26.361 -24.053
2 1HA GLY 1 1HA GLY 1 0.686 -24.658 -23.127
3 2HA GLY 1 2HA GLY 1 1.002 -26.328 -22.608
4 HA PRO 2 HA PRO 2 4.460 -23.468 -20.796
5 1HB PRO 2 1HB PRO 2 3.634 -21.006 -19.974
6 2HB PRO 2 2HB PRO 2 4.214 -21.309 -21.639
7 1HG PRO 2 1HG PRO 2 1.340 -21.259 -20.641
8 2HG PRO 2 2HG PRO 2 2.034 -20.374 -22.030
9 1HD PRO 2 1HD PRO 2 0.750 -22.753 -22.338
10 2HD PRO 2 2HD PRO 2 2.188 -22.375 -23.312
11 H SER 3 H SER 3 4.819 -22.843 -18.564
12 HA SER 3 HA SER 3 2.868 -24.019 -16.654
13 1HB SER 3 1HB SER 3 5.898 -23.619 -16.533
14 2HB SER 3 2HB SER 3 4.919 -24.447 -15.322
15 HG SER 3 HG SER 3 5.979 -25.867 -16.672
16 H GLN 4 H GLN 4 3.687 -22.961 -14.335
17 HA GLN 4 HA GLN 4 3.856 -20.011 -14.656
18 1HB GLN 4 1HB GLN 4 1.530 -20.861 -14.051
19 2HB GLN 4 2HB GLN 4 2.224 -21.486 -12.556
20 1HG GLN 4 1HG GLN 4 1.311 -19.335 -12.029
21 2HG GLN 4 2HG GLN 4 3.044 -19.099 -12.065
22 1HE2 GLN 4 2HE2 GLN 4 3.806 -17.410 -13.416
23 2HE2 GLN 4 1HE2 GLN 4 2.897 -16.792 -14.773
24 HA PRO 5 HA PRO 5 7.212 -21.935 -12.055
25 1HB PRO 5 1HB PRO 5 9.417 -20.857 -13.287
26 2HB PRO 5 2HB PRO 5 8.621 -22.368 -13.821
27 1HG PRO 5 1HG PRO 5 8.367 -19.609 -14.983
28 2HG PRO 5 2HG PRO 5 8.472 -21.180 -15.821
29 1HD PRO 5 1HD PRO 5 6.096 -19.812 -15.331
30 2HD PRO 5 2HD PRO 5 6.231 -21.578 -15.572
31 H THR 6 H THR 6 9.082 -20.556 -10.901
32 HA THR 6 HA THR 6 7.679 -18.306 -9.720
33 HB THR 6 HB THR 6 9.968 -18.343 -8.359
34 HG1 THR 6 HG1 THR 6 9.905 -21.072 -8.809
35 1HG2 THR 6 1HG2 THR 6 7.710 -20.388 -8.264
36 2HG2 THR 6 2HG2 THR 6 7.773 -18.815 -7.448
37 3HG2 THR 6 3HG2 THR 6 8.852 -20.114 -6.943
38 H TYR 7 H TYR 7 8.944 -16.265 -9.234
39 HA TYR 7 HA TYR 7 10.170 -15.219 -11.736
40 1HB TYR 7 1HB TYR 7 7.979 -14.338 -9.853
41 2HB TYR 7 2HB TYR 7 9.019 -13.074 -10.375
42 HD1 TYR 7 HD1 TYR 7 6.294 -12.749 -10.799
43 HD2 TYR 7 HD2 TYR 7 9.088 -14.821 -13.379
44 HE1 TYR 7 HE1 TYR 7 4.891 -12.241 -12.756
45 HE2 TYR 7 HE2 TYR 7 7.683 -14.358 -15.286
46 HH TYR 7 HH TYR 7 4.588 -12.559 -15.033
47 HA PRO 8 HA PRO 8 13.587 -13.577 -9.511
48 1HB PRO 8 1HB PRO 8 13.904 -10.981 -10.303
49 2HB PRO 8 2HB PRO 8 14.162 -12.367 -11.395
50 1HG PRO 8 1HG PRO 8 11.637 -10.707 -11.082
51 2HG PRO 8 2HG PRO 8 12.514 -11.101 -12.603
52 1HD PRO 8 1HD PRO 8 10.392 -12.526 -11.849
53 2HD PRO 8 2HD PRO 8 11.827 -13.347 -12.502
54 H GLY 9 H GLY 9 14.240 -11.563 -8.023
55 1HA GLY 9 1HA GLY 9 13.482 -9.824 -6.513
56 2HA GLY 9 2HA GLY 9 11.903 -10.606 -6.423
57 HA PRO 11 HA PRO 11 13.163 0.774 -1.477
58 1HB PRO 11 1HB PRO 11 10.702 0.464 -2.610
59 2HB PRO 11 2HB PRO 11 12.205 0.215 -3.550
60 1HG PRO 11 1HG PRO 11 10.464 -1.898 -2.244
61 2HG PRO 11 2HG PRO 11 11.129 -1.893 -3.896
62 1HD PRO 11 1HD PRO 11 12.310 -3.189 -1.785
63 2HD PRO 11 2HD PRO 11 13.281 -2.496 -3.125
64 H VAL 12 H VAL 12 12.107 1.915 0.227
65 HA VAL 12 HA VAL 12 10.107 0.428 1.819
66 HB VAL 12 HB VAL 12 11.501 2.227 3.508
67 1HG1 VAL 12 1HG1 VAL 12 10.248 0.157 4.147
68 2HG1 VAL 12 2HG1 VAL 12 11.514 -0.831 3.383
69 3HG1 VAL 12 3HG1 VAL 12 11.891 0.149 4.818
70 1HG2 VAL 12 1HG2 VAL 12 13.727 1.314 3.708
71 2HG2 VAL 12 2HG2 VAL 12 13.453 0.220 2.338
72 3HG2 VAL 12 3HG2 VAL 12 13.546 1.975 2.086
73 H GLU 13 H GLU 13 11.491 3.785 1.397
74 HA GLU 13 HA GLU 13 9.066 5.015 1.993
75 1HB GLU 13 1HB GLU 13 11.274 6.151 1.892
76 2HB GLU 13 2HB GLU 13 11.368 5.861 0.146
77 1HG GLU 13 1HG GLU 13 9.420 7.392 -0.181
78 2HG GLU 13 2HG GLU 13 9.369 7.631 1.572
79 H ASP 14 H ASP 14 10.123 3.766 -1.166
80 HA ASP 14 HA ASP 14 7.580 4.695 -2.318
81 1HB ASP 14 1HB ASP 14 10.090 3.749 -3.663
82 2HB ASP 14 2HB ASP 14 8.571 4.029 -4.511
83 H LEU 15 H LEU 15 7.959 2.387 -0.415
84 HA LEU 15 HA LEU 15 6.518 0.292 -1.994
85 1HB LEU 15 1HB LEU 15 8.735 -0.516 -1.275
86 2HB LEU 15 2HB LEU 15 8.359 -0.066 0.390
87 HG LEU 15 HG LEU 15 6.427 -1.701 0.346
88 1HD1 LEU 15 1HD1 LEU 15 6.442 -3.462 -1.383
89 2HD1 LEU 15 2HD1 LEU 15 7.725 -2.606 -2.265
90 3HD1 LEU 15 3HD1 LEU 15 6.108 -1.887 -2.104
91 1HD2 LEU 15 1HD2 LEU 15 9.161 -2.914 -0.183
92 2HD2 LEU 15 2HD2 LEU 15 7.806 -3.678 0.670
93 3HD2 LEU 15 3HD2 LEU 15 8.607 -2.260 1.369
94 H ILE 16 H ILE 16 6.939 1.845 1.262
95 HA ILE 16 HA ILE 16 4.535 0.739 2.308
96 HB ILE 16 HB ILE 16 4.778 2.413 4.071
97 1HG1 ILE 16 1HG1 ILE 16 6.726 3.760 2.161
98 2HG1 ILE 16 2HG1 ILE 16 5.295 4.418 2.937
99 1HG2 ILE 16 1HG2 ILE 16 6.780 1.585 4.983
100 2HG2 ILE 16 2HG2 ILE 16 6.230 0.328 3.882
101 3HG2 ILE 16 3HG2 ILE 16 7.558 1.384 3.400
102 1HD1 ILE 16 1HD1 ILE 16 6.462 4.209 5.134
103 2HD1 ILE 16 2HD1 ILE 16 7.953 3.777 4.243
104 3HD1 ILE 16 3HD1 ILE 16 7.162 5.345 3.991
105 H ARG 17 H ARG 17 5.158 3.634 0.402
106 HA ARG 17 HA ARG 17 2.642 4.850 0.845
107 1HB ARG 17 1HB ARG 17 3.248 6.288 -1.090
108 2HB ARG 17 2HB ARG 17 4.663 6.054 -0.066
109 1HG ARG 17 1HG ARG 17 5.528 4.321 -1.568
110 2HG ARG 17 2HG ARG 17 4.105 4.420 -2.597
111 1HD ARG 17 1HD ARG 17 6.028 6.733 -2.165
112 2HD ARG 17 2HD ARG 17 6.087 5.568 -3.502
113 HE ARG 17 HE ARG 17 3.476 6.647 -3.367
114 1HH1 ARG 17 1HH1 ARG 17 6.783 7.231 -4.637
115 2HH1 ARG 17 2HH1 ARG 17 6.169 8.249 -5.916
116 1HH2 ARG 17 1HH2 ARG 17 2.741 7.898 -5.081
117 2HH2 ARG 17 2HH2 ARG 17 3.805 8.472 -6.291
118 H PHE 18 H PHE 18 3.451 2.285 -1.213
119 HA PHE 18 HA PHE 18 1.125 2.599 -2.965
120 1HB PHE 18 1HB PHE 18 3.059 1.337 -3.758
121 2HB PHE 18 2HB PHE 18 2.942 0.208 -2.416
122 HD1 PHE 18 HD1 PHE 18 1.290 1.356 -5.550
123 HD2 PHE 18 HD2 PHE 18 1.325 -1.623 -2.422
124 HE1 PHE 18 HE1 PHE 18 -0.244 -0.075 -6.874
125 HE2 PHE 18 HE2 PHE 18 -0.205 -3.039 -3.756
126 HZ PHE 18 HZ PHE 18 -1.004 -2.262 -5.980
127 H TYR 19 H TYR 19 1.972 0.720 -0.058
128 HA TYR 19 HA TYR 19 -0.553 -0.639 0.053
129 1HB TYR 19 1HB TYR 19 1.746 -1.202 1.204
130 2HB TYR 19 2HB TYR 19 1.129 -0.224 2.516
131 HD1 TYR 19 HD1 TYR 19 -1.018 -0.861 3.677
132 HD2 TYR 19 HD2 TYR 19 0.758 -3.385 0.652
133 HE1 TYR 19 HE1 TYR 19 -2.505 -2.694 4.342
134 HE2 TYR 19 HE2 TYR 19 -0.715 -5.255 1.353
135 HH TYR 19 HH TYR 19 -3.024 -4.886 4.087
136 H ASN 20 H ASN 20 0.729 2.272 1.714
137 HA ASN 20 HA ASN 20 -1.674 2.640 3.240
138 1HB ASN 20 1HB ASN 20 0.726 4.360 2.643
139 2HB ASN 20 2HB ASN 20 -0.748 5.153 3.175
140 1HD2 ASN 20 2HD2 ASN 20 1.929 4.670 4.657
141 2HD2 ASN 20 1HD2 ASN 20 1.332 3.992 6.166
142 H ASP 21 H ASP 21 -0.896 3.511 -0.135
143 HA ASP 21 HA ASP 21 -3.133 5.277 -0.298
144 1HB ASP 21 1HB ASP 21 -1.088 5.024 -1.889
145 2HB ASP 21 2HB ASP 21 -2.051 3.793 -2.691
146 H LEU 22 H LEU 22 -2.965 1.869 -0.120
147 HA LEU 22 HA LEU 22 -5.448 1.329 -1.613
148 1HB LEU 22 1HB LEU 22 -3.798 -0.420 0.260
149 2HB LEU 22 2HB LEU 22 -5.257 -0.954 -0.543
150 HG LEU 22 HG LEU 22 -2.861 0.055 -2.117
151 1HD1 LEU 22 1HD1 LEU 22 -2.195 -1.910 -0.738
152 2HD1 LEU 22 2HD1 LEU 22 -2.251 -2.300 -2.462
153 3HD1 LEU 22 3HD1 LEU 22 -3.568 -2.821 -1.390
154 1HD2 LEU 22 1HD2 LEU 22 -5.202 -1.740 -2.886
155 2HD2 LEU 22 2HD2 LEU 22 -3.906 -1.167 -3.960
156 3HD2 LEU 22 3HD2 LEU 22 -5.064 -0.013 -3.285
157 H GLN 23 H GLN 23 -4.683 2.632 1.487
158 HA GLN 23 HA GLN 23 -6.717 1.521 3.107
159 1HB GLN 23 1HB GLN 23 -5.487 4.293 3.054
160 2HB GLN 23 2HB GLN 23 -6.614 3.743 4.290
161 1HG GLN 23 1HG GLN 23 -5.094 1.949 4.973
162 2HG GLN 23 2HG GLN 23 -3.908 2.461 3.769
163 1HE2 GLN 23 2HE2 GLN 23 -3.508 2.405 6.685
164 2HE2 GLN 23 1HE2 GLN 23 -3.266 4.051 7.210
165 H GLN 24 H GLN 24 -6.891 4.152 0.663
166 HA GLN 24 HA GLN 24 -9.459 5.085 1.450
167 1HB GLN 24 1HB GLN 24 -9.553 6.220 -0.642
168 2HB GLN 24 2HB GLN 24 -7.887 6.259 -0.032
169 1HG GLN 24 1HG GLN 24 -7.389 4.337 -1.580
170 2HG GLN 24 2HG GLN 24 -8.981 4.576 -2.304
171 1HE2 GLN 24 2HE2 GLN 24 -6.894 4.712 -3.902
172 2HE2 GLN 24 1HE2 GLN 24 -6.670 6.327 -4.530
173 H TYR 25 H TYR 25 -8.464 2.514 -0.731
174 HA TYR 25 HA TYR 25 -11.105 1.650 -1.667
175 1HB TYR 25 1HB TYR 25 -8.766 1.246 -2.705
176 2HB TYR 25 2HB TYR 25 -8.509 0.056 -1.439
177 HD1 TYR 25 HD1 TYR 25 -9.958 0.710 -4.659
178 HD2 TYR 25 HD2 TYR 25 -10.186 -1.897 -1.218
179 HE1 TYR 25 HE1 TYR 25 -11.214 -0.937 -6.001
180 HE2 TYR 25 HE2 TYR 25 -11.405 -3.563 -2.571
181 HH TYR 25 HH TYR 25 -12.066 -3.084 -6.045
182 H LEU 26 H LEU 26 -8.847 0.442 0.993
183 HA LEU 26 HA LEU 26 -10.785 -1.325 1.874
184 1HB LEU 26 1HB LEU 26 -8.508 -1.813 2.283
185 2HB LEU 26 2HB LEU 26 -8.120 -0.140 2.653
186 HG LEU 26 HG LEU 26 -9.258 -0.338 4.785
187 1HD1 LEU 26 1HD1 LEU 26 -9.627 -2.584 5.772
188 2HD1 LEU 26 2HD1 LEU 26 -9.011 -3.365 4.296
189 3HD1 LEU 26 3HD1 LEU 26 -10.548 -2.505 4.266
190 1HD2 LEU 26 1HD2 LEU 26 -6.841 -0.372 4.614
191 2HD2 LEU 26 2HD2 LEU 26 -6.851 -2.130 4.325
192 3HD2 LEU 26 3HD2 LEU 26 -7.381 -1.465 5.890
193 H ASN 27 H ASN 27 -11.026 1.951 2.020
194 HA ASN 27 HA ASN 27 -12.654 2.039 4.526
195 1HB ASN 27 1HB ASN 27 -10.839 3.685 4.349
196 2HB ASN 27 2HB ASN 27 -11.412 4.213 2.778
197 1HD2 ASN 27 2HD2 ASN 27 -12.416 6.211 2.931
198 2HD2 ASN 27 1HD2 ASN 27 -13.506 6.635 4.225
199 H VAL 28 H VAL 28 -12.725 2.574 1.041
200 HA VAL 28 HA VAL 28 -15.559 3.404 1.013
201 HB VAL 28 HB VAL 28 -13.356 3.072 -1.053
202 1HG1 VAL 28 1HG1 VAL 28 -16.296 3.533 -1.665
203 2HG1 VAL 28 2HG1 VAL 28 -14.970 3.943 -2.780
204 3HG1 VAL 28 3HG1 VAL 28 -15.236 2.265 -2.305
205 1HG2 VAL 28 1HG2 VAL 28 -15.154 5.439 -0.393
206 2HG2 VAL 28 2HG2 VAL 28 -13.599 5.146 0.396
207 3HG2 VAL 28 3HG2 VAL 28 -13.655 5.449 -1.356
208 H VAL 29 H VAL 29 -13.583 0.567 -0.096
209 HA VAL 29 HA VAL 29 -15.779 -0.791 -1.187
210 HB VAL 29 HB VAL 29 -13.048 -1.060 -1.218
211 1HG1 VAL 29 1HG1 VAL 29 -12.413 -3.294 -0.467
212 2HG1 VAL 29 2HG1 VAL 29 -12.814 -2.248 0.880
213 3HG1 VAL 29 3HG1 VAL 29 -13.969 -3.504 0.349
214 1HG2 VAL 29 1HG2 VAL 29 -13.637 -3.241 -2.519
215 2HG2 VAL 29 2HG2 VAL 29 -15.303 -2.973 -1.991
216 3HG2 VAL 29 3HG2 VAL 29 -14.473 -1.761 -2.993
217 H THR 30 H THR 30 -14.239 -1.034 1.981
218 HA THR 30 HA THR 30 -15.945 -2.983 3.020
219 HB THR 30 HB THR 30 -15.185 -2.104 5.156
220 HG1 THR 30 HG1 THR 30 -13.266 -0.461 4.395
221 1HG2 THR 30 1HG2 THR 30 -12.872 -2.455 3.195
222 2HG2 THR 30 2HG2 THR 30 -13.817 -3.788 3.871
223 3HG2 THR 30 3HG2 THR 30 -12.847 -2.769 4.943
224 H ARG 31 H ARG 31 -16.436 0.499 2.685
225 HA ARG 31 HA ARG 31 -18.512 0.706 4.600
226 1HB ARG 31 1HB ARG 31 -17.292 2.595 3.265
227 2HB ARG 31 2HB ARG 31 -18.415 2.234 1.965
228 1HG ARG 31 1HG ARG 31 -19.290 4.098 3.009
229 2HG ARG 31 2HG ARG 31 -20.320 2.815 3.623
230 1HD ARG 31 1HD ARG 31 -17.879 3.905 5.072
231 2HD ARG 31 2HD ARG 31 -19.481 4.568 5.297
232 HE ARG 31 HE ARG 31 -20.113 2.176 5.996
233 1HH1 ARG 31 1HH1 ARG 31 -16.967 3.710 6.654
234 2HH1 ARG 31 2HH1 ARG 31 -16.754 2.959 8.191
235 1HH2 ARG 31 1HH2 ARG 31 -19.731 1.055 8.019
236 2HH2 ARG 31 2HH2 ARG 31 -18.347 1.457 8.972
237 H HIS 32 H HIS 32 -18.499 -0.818 1.640
238 HA HIS 32 HA HIS 32 -21.414 -1.338 1.678
239 1HB HIS 32 1HB HIS 32 -19.391 -0.720 -0.515
240 2HB HIS 32 2HB HIS 32 -20.726 -1.745 -0.899
241 HD1 HIS 32 HD1 HIS 32 -21.905 -0.090 -2.576
242 HD2 HIS 32 HD2 HIS 32 -21.071 1.556 1.234
243 HE1 HIS 32 HE1 HIS 32 -22.966 2.213 -2.498
244 H ARG 33 H ARG 33 -18.527 -2.687 2.211
245 HA ARG 33 HA ARG 33 -19.515 -5.428 2.165
246 1HB ARG 33 1HB ARG 33 -18.932 -4.841 -0.320
247 2HB ARG 33 2HB ARG 33 -17.260 -4.844 0.188
248 1HG ARG 33 1HG ARG 33 -17.805 -7.262 1.100
249 2HG ARG 33 2HG ARG 33 -19.286 -7.101 0.131
250 1HD ARG 33 1HD ARG 33 -17.933 -6.679 -1.884
251 2HD ARG 33 2HD ARG 33 -16.447 -6.801 -0.920
252 HE ARG 33 HE ARG 33 -17.901 -9.175 -0.511
253 1HH1 ARG 33 1HH1 ARG 33 -16.034 -7.560 -3.089
254 2HH1 ARG 33 2HH1 ARG 33 -15.793 -9.025 -3.989
255 1HH2 ARG 33 1HH2 ARG 33 -17.753 -11.024 -1.818
256 2HH2 ARG 33 2HH2 ARG 33 -16.839 -11.015 -3.287
257 H TYR 34 H TYR 34 -18.535 -4.419 4.502
258 HA TYR 34 HA TYR 34 -15.666 -4.596 4.747
259 1HB TYR 34 1HB TYR 34 -16.211 -4.602 7.214
260 2HB TYR 34 2HB TYR 34 -16.788 -3.218 6.318
261 HD1 TYR 34 HD1 TYR 34 -19.154 -2.715 6.085
262 HD2 TYR 34 HD2 TYR 34 -17.847 -6.385 7.957
263 HE1 TYR 34 HE1 TYR 34 -21.462 -3.195 6.724
264 HE2 TYR 34 HE2 TYR 34 -20.186 -6.832 8.675
265 HH TYR 34 HH TYR 34 -22.861 -5.003 7.299
266 1HN NH2 35 1H NH2 35 -14.755 -6.357 6.476
267 2HN NH2 35 2H NH2 35 -15.283 -7.957 6.081
268 3HM EAB 10 3HM AZT 10 15.115 -3.286 -1.393
269 2HM EAB 10 2HM AZT 10 15.664 -2.891 0.238
270 HL EAB 10 HL AZT 10 12.625 -2.618 1.357
271 HK2 EAB 10 HK2 AZT 10 11.111 -4.370 2.189
272 HJ2 EAB 10 HJ2 AZT 10 11.463 -6.747 1.566
273 HG1 EAB 10 HG1 AZT 10 13.843 -9.649 -3.020
274 HG2 EAB 10 HG2 AZT 10 16.798 -12.424 -1.533
275 HD2 EAB 10 HD2 AZT 10 16.934 -11.110 0.577
276 HE EAB 10 HE AZT 10 15.586 -9.074 0.870
277 2HA EAB 10 2HA AZT 10 14.705 -12.898 -3.424
278 3HA EAB 10 3HA AZT 10 16.271 -12.274 -3.964
279 1HN EAB 10 H AZT 10 15.135 -10.545 -5.215
280 HJ1 EAB 10 HJ1 AZT 10 14.869 -5.593 -0.813
Start of MODEL 20
1 1H GLY 1 H GLY 1 8.248 -13.491 -20.939
2 1HA GLY 1 1HA GLY 1 7.969 -14.240 -18.665
3 2HA GLY 1 2HA GLY 1 9.415 -13.298 -18.227
4 HA PRO 2 HA PRO 2 5.371 -10.652 -18.219
5 1HB PRO 2 1HB PRO 2 4.731 -10.623 -15.541
6 2HB PRO 2 2HB PRO 2 4.044 -11.781 -16.720
7 1HG PRO 2 1HG PRO 2 6.379 -12.177 -14.815
8 2HG PRO 2 2HG PRO 2 5.001 -13.275 -15.115
9 1HD PRO 2 1HD PRO 2 7.416 -13.638 -16.314
10 2HD PRO 2 2HD PRO 2 5.902 -13.970 -17.206
11 H SER 3 H SER 3 8.205 -11.037 -16.124
12 HA SER 3 HA SER 3 8.518 -8.119 -15.868
13 1HB SER 3 1HB SER 3 9.790 -8.874 -13.767
14 2HB SER 3 2HB SER 3 8.026 -8.991 -13.746
15 HG SER 3 HG SER 3 8.917 -10.850 -12.956
16 H GLN 4 H GLN 4 10.419 -7.250 -16.335
17 HA GLN 4 HA GLN 4 12.795 -8.863 -16.865
18 1HB GLN 4 1HB GLN 4 13.067 -7.943 -19.153
19 2HB GLN 4 2HB GLN 4 11.722 -9.048 -18.995
20 1HG GLN 4 1HG GLN 4 10.097 -7.245 -18.986
21 2HG GLN 4 2HG GLN 4 11.376 -6.024 -19.028
22 1HE2 GLN 4 2HE2 GLN 4 10.374 -5.177 -20.991
23 2HE2 GLN 4 1HE2 GLN 4 10.372 -6.106 -22.479
24 HA PRO 5 HA PRO 5 13.076 -4.553 -14.961
25 1HB PRO 5 1HB PRO 5 14.080 -5.180 -12.487
26 2HB PRO 5 2HB PRO 5 12.334 -5.100 -12.874
27 1HG PRO 5 1HG PRO 5 14.107 -7.557 -12.773
28 2HG PRO 5 2HG PRO 5 12.482 -7.339 -12.060
29 1HD PRO 5 1HD PRO 5 12.828 -8.569 -14.462
30 2HD PRO 5 2HD PRO 5 11.430 -7.496 -14.137
31 H THR 6 H THR 6 14.777 -3.750 -16.060
32 HA THR 6 HA THR 6 17.282 -5.192 -16.350
33 HB THR 6 HB THR 6 16.778 -2.300 -17.113
34 HG1 THR 6 HG1 THR 6 15.764 -4.628 -18.377
35 1HG2 THR 6 1HG2 THR 6 18.996 -3.110 -17.613
36 2HG2 THR 6 2HG2 THR 6 18.122 -3.027 -19.130
37 3HG2 THR 6 3HG2 THR 6 18.356 -4.595 -18.321
38 H TYR 7 H TYR 7 16.052 -3.256 -13.844
39 HA TYR 7 HA TYR 7 18.735 -2.313 -13.005
40 1HB TYR 7 1HB TYR 7 16.746 -0.756 -13.389
41 2HB TYR 7 2HB TYR 7 16.043 -1.438 -11.937
42 HD1 TYR 7 HD1 TYR 7 16.767 -0.619 -9.789
43 HD2 TYR 7 HD2 TYR 7 18.992 0.353 -13.350
44 HE1 TYR 7 HE1 TYR 7 18.099 1.046 -8.509
45 HE2 TYR 7 HE2 TYR 7 20.327 2.011 -12.083
46 HH TYR 7 HH TYR 7 20.686 3.004 -10.009
47 HA PRO 8 HA PRO 8 17.840 -6.014 -10.373
48 1HB PRO 8 1HB PRO 8 20.394 -6.823 -9.902
49 2HB PRO 8 2HB PRO 8 19.552 -7.127 -11.451
50 1HG PRO 8 1HG PRO 8 21.506 -4.899 -10.829
51 2HG PRO 8 2HG PRO 8 21.495 -6.002 -12.235
52 1HD PRO 8 1HD PRO 8 20.390 -3.512 -12.338
53 2HD PRO 8 2HD PRO 8 19.692 -4.899 -13.221
54 H GLY 9 H GLY 9 17.118 -5.334 -8.407
55 1HA GLY 9 1HA GLY 9 18.442 -3.307 -6.846
56 2HA GLY 9 2HA GLY 9 17.027 -4.269 -6.377
57 HA PRO 11 HA PRO 11 13.251 5.325 -0.701
58 1HB PRO 11 1HB PRO 11 11.371 3.884 -2.064
59 2HB PRO 11 2HB PRO 11 12.772 4.617 -2.879
60 1HG PRO 11 1HG PRO 11 12.379 1.745 -2.066
61 2HG PRO 11 2HG PRO 11 13.153 2.421 -3.537
62 1HD PRO 11 1HD PRO 11 14.542 1.504 -1.289
63 2HD PRO 11 2HD PRO 11 15.181 2.675 -2.476
64 H VAL 12 H VAL 12 11.771 5.583 1.049
65 HA VAL 12 HA VAL 12 10.680 3.200 2.347
66 HB VAL 12 HB VAL 12 11.075 4.979 4.287
67 1HG1 VAL 12 1HG1 VAL 12 13.029 3.664 4.998
68 2HG1 VAL 12 2HG1 VAL 12 11.887 2.586 4.168
69 3HG1 VAL 12 3HG1 VAL 12 13.321 3.160 3.320
70 1HG2 VAL 12 1HG2 VAL 12 13.217 6.059 4.355
71 2HG2 VAL 12 2HG2 VAL 12 13.612 5.518 2.718
72 3HG2 VAL 12 3HG2 VAL 12 12.307 6.696 2.988
73 H GLU 13 H GLU 13 10.442 6.789 2.667
74 HA GLU 13 HA GLU 13 7.609 6.740 2.871
75 1HB GLU 13 1HB GLU 13 8.717 8.554 3.809
76 2HB GLU 13 2HB GLU 13 9.745 8.781 2.404
77 1HG GLU 13 1HG GLU 13 7.670 9.560 1.131
78 2HG GLU 13 2HG GLU 13 6.790 9.494 2.667
79 H ASP 14 H ASP 14 9.828 6.723 0.160
80 HA ASP 14 HA ASP 14 7.731 7.163 -1.860
81 1HB ASP 14 1HB ASP 14 10.041 8.278 -1.819
82 2HB ASP 14 2HB ASP 14 10.674 6.720 -2.335
83 H LEU 15 H LEU 15 7.889 4.718 -0.120
84 HA LEU 15 HA LEU 15 7.785 2.691 -2.265
85 1HB LEU 15 1HB LEU 15 9.949 2.279 -1.207
86 2HB LEU 15 2HB LEU 15 9.238 2.342 0.397
87 HG LEU 15 HG LEU 15 7.860 0.314 -0.112
88 1HD1 LEU 15 1HD1 LEU 15 8.521 -1.039 -2.153
89 2HD1 LEU 15 2HD1 LEU 15 9.366 0.396 -2.775
90 3HD1 LEU 15 3HD1 LEU 15 7.601 0.412 -2.523
91 1HD2 LEU 15 1HD2 LEU 15 9.660 -1.265 -0.006
92 2HD2 LEU 15 2HD2 LEU 15 10.119 0.182 0.915
93 3HD2 LEU 15 3HD2 LEU 15 10.780 -0.060 -0.721
94 H ILE 16 H ILE 16 7.032 3.408 1.235
95 HA ILE 16 HA ILE 16 4.907 1.473 1.216
96 HB ILE 16 HB ILE 16 4.392 1.893 3.275
97 1HG1 ILE 16 1HG1 ILE 16 3.742 4.188 3.259
98 2HG1 ILE 16 2HG1 ILE 16 4.735 3.746 4.622
99 1HG2 ILE 16 1HG2 ILE 16 7.327 2.686 3.161
100 2HG2 ILE 16 2HG2 ILE 16 6.474 1.953 4.504
101 3HG2 ILE 16 3HG2 ILE 16 6.676 1.043 3.003
102 1HD1 ILE 16 1HD1 ILE 16 5.713 5.290 2.187
103 2HD1 ILE 16 2HD1 ILE 16 5.277 5.998 3.755
104 3HD1 ILE 16 3HD1 ILE 16 6.666 4.906 3.643
105 H ARG 17 H ARG 17 5.032 4.569 -0.141
106 HA ARG 17 HA ARG 17 2.357 5.389 0.157
107 1HB ARG 17 1HB ARG 17 2.807 6.789 -1.886
108 2HB ARG 17 2HB ARG 17 4.032 6.965 -0.627
109 1HG ARG 17 1HG ARG 17 5.663 5.754 -1.852
110 2HG ARG 17 2HG ARG 17 4.437 4.942 -2.828
111 1HD ARG 17 1HD ARG 17 5.453 6.407 -4.284
112 2HD ARG 17 2HD ARG 17 3.878 7.133 -3.893
113 HE ARG 17 HE ARG 17 5.768 8.290 -2.169
114 1HH1 ARG 17 1HH1 ARG 17 5.053 8.152 -5.636
115 2HH1 ARG 17 2HH1 ARG 17 5.996 9.553 -6.041
116 1HH2 ARG 17 1HH2 ARG 17 7.210 10.009 -2.729
117 2HH2 ARG 17 2HH2 ARG 17 7.395 10.444 -4.377
118 H PHE 18 H PHE 18 3.385 2.649 -1.527
119 HA PHE 18 HA PHE 18 0.981 2.703 -3.311
120 1HB PHE 18 1HB PHE 18 3.064 2.268 -4.461
121 2HB PHE 18 2HB PHE 18 3.436 0.934 -3.372
122 HD1 PHE 18 HD1 PHE 18 0.562 2.065 -5.577
123 HD2 PHE 18 HD2 PHE 18 3.002 -1.216 -4.199
124 HE1 PHE 18 HE1 PHE 18 -0.710 0.516 -7.025
125 HE2 PHE 18 HE2 PHE 18 1.675 -2.773 -5.581
126 HZ PHE 18 HZ PHE 18 -0.174 -1.908 -7.027
127 H TYR 19 H TYR 19 1.972 1.552 -0.272
128 HA TYR 19 HA TYR 19 0.011 -0.690 -0.265
129 1HB TYR 19 1HB TYR 19 2.536 -0.696 0.536
130 2HB TYR 19 2HB TYR 19 1.899 0.036 1.986
131 HD1 TYR 19 HD1 TYR 19 -0.263 -1.334 2.998
132 HD2 TYR 19 HD2 TYR 19 2.817 -2.965 0.442
133 HE1 TYR 19 HE1 TYR 19 -0.766 -3.589 3.830
134 HE2 TYR 19 HE2 TYR 19 2.342 -5.233 1.324
135 HH TYR 19 HH TYR 19 -0.003 -5.840 3.909
136 H ASN 20 H ASN 20 0.931 2.373 1.334
137 HA ASN 20 HA ASN 20 -1.118 2.384 3.303
138 1HB ASN 20 1HB ASN 20 0.644 4.500 2.047
139 2HB ASN 20 2HB ASN 20 -0.637 4.938 3.181
140 1HD2 ASN 20 2HD2 ASN 20 1.196 5.734 4.539
141 2HD2 ASN 20 1HD2 ASN 20 1.887 4.547 5.642
142 H ASP 21 H ASP 21 -1.184 3.300 -0.099
143 HA ASP 21 HA ASP 21 -3.538 4.848 -0.086
144 1HB ASP 21 1HB ASP 21 -2.020 3.275 -2.166
145 2HB ASP 21 2HB ASP 21 -3.674 3.788 -2.526
146 H LEU 22 H LEU 22 -3.097 1.345 0.136
147 HA LEU 22 HA LEU 22 -5.673 0.458 -0.629
148 1HB LEU 22 1HB LEU 22 -3.878 -0.625 1.581
149 2HB LEU 22 2HB LEU 22 -5.220 -1.496 0.857
150 HG LEU 22 HG LEU 22 -2.777 -0.589 -0.735
151 1HD1 LEU 22 1HD1 LEU 22 -1.914 -2.818 -0.501
152 2HD1 LEU 22 2HD1 LEU 22 -3.336 -3.351 0.433
153 3HD1 LEU 22 3HD1 LEU 22 -2.191 -2.177 1.115
154 1HD2 LEU 22 1HD2 LEU 22 -4.960 -2.644 -1.346
155 2HD2 LEU 22 2HD2 LEU 22 -3.561 -2.243 -2.362
156 3HD2 LEU 22 3HD2 LEU 22 -4.812 -1.038 -2.090
157 H GLN 23 H GLN 23 -4.648 2.274 2.142
158 HA GLN 23 HA GLN 23 -6.687 1.430 3.991
159 1HB GLN 23 1HB GLN 23 -5.284 4.137 3.796
160 2HB GLN 23 2HB GLN 23 -6.262 3.577 5.127
161 1HG GLN 23 1HG GLN 23 -3.428 3.081 4.644
162 2HG GLN 23 2HG GLN 23 -4.371 2.960 6.090
163 1HE2 GLN 23 2HE2 GLN 23 -2.920 1.069 3.464
164 2HE2 GLN 23 1HE2 GLN 23 -3.416 -0.471 4.080
165 H GLN 24 H GLN 24 -6.654 3.929 1.401
166 HA GLN 24 HA GLN 24 -9.254 4.906 2.094
167 1HB GLN 24 1HB GLN 24 -7.405 6.052 0.679
168 2HB GLN 24 2HB GLN 24 -8.074 5.141 -0.684
169 1HG GLN 24 1HG GLN 24 -10.336 6.102 -0.159
170 2HG GLN 24 2HG GLN 24 -9.635 7.010 1.175
171 1HE2 GLN 24 2HE2 GLN 24 -8.504 8.953 0.731
172 2HE2 GLN 24 1HE2 GLN 24 -8.458 9.636 -0.878
173 H TYR 25 H TYR 25 -8.126 2.322 -0.036
174 HA TYR 25 HA TYR 25 -10.544 1.778 -1.485
175 1HB TYR 25 1HB TYR 25 -8.245 0.835 -1.949
176 2HB TYR 25 2HB TYR 25 -8.403 -0.179 -0.534
177 HD1 TYR 25 HD1 TYR 25 -10.355 0.679 -3.662
178 HD2 TYR 25 HD2 TYR 25 -9.001 -2.400 -0.943
179 HE1 TYR 25 HE1 TYR 25 -11.329 -1.039 -5.129
180 HE2 TYR 25 HE2 TYR 25 -10.000 -4.115 -2.415
181 HH TYR 25 HH TYR 25 -11.379 -4.493 -4.160
182 H LEU 26 H LEU 26 -9.381 0.123 1.605
183 HA LEU 26 HA LEU 26 -11.820 -1.093 1.963
184 1HB LEU 26 1HB LEU 26 -10.633 -1.981 3.668
185 2HB LEU 26 2HB LEU 26 -9.294 -1.142 3.023
186 HG LEU 26 HG LEU 26 -10.007 0.796 4.709
187 1HD1 LEU 26 1HD1 LEU 26 -10.847 -0.115 6.858
188 2HD1 LEU 26 2HD1 LEU 26 -11.142 -1.682 6.081
189 3HD1 LEU 26 3HD1 LEU 26 -12.078 -0.258 5.606
190 1HD2 LEU 26 1HD2 LEU 26 -7.886 -0.429 4.725
191 2HD2 LEU 26 2HD2 LEU 26 -8.652 -1.779 5.585
192 3HD2 LEU 26 3HD2 LEU 26 -8.494 -0.190 6.368
193 H ASN 27 H ASN 27 -10.910 2.190 2.643
194 HA ASN 27 HA ASN 27 -12.968 2.831 4.518
195 1HB ASN 27 1HB ASN 27 -10.733 4.070 3.697
196 2HB ASN 27 2HB ASN 27 -11.864 4.927 2.662
197 1HD2 ASN 27 2HD2 ASN 27 -10.369 6.268 4.573
198 2HD2 ASN 27 1HD2 ASN 27 -11.341 6.624 5.980
199 H VAL 28 H VAL 28 -13.165 2.181 1.193
200 HA VAL 28 HA VAL 28 -15.876 3.451 1.103
201 HB VAL 28 HB VAL 28 -13.958 3.492 -1.253
202 1HG1 VAL 28 1HG1 VAL 28 -16.473 3.522 -1.720
203 2HG1 VAL 28 2HG1 VAL 28 -16.586 4.996 -0.759
204 3HG1 VAL 28 3HG1 VAL 28 -15.629 4.975 -2.254
205 1HG2 VAL 28 1HG2 VAL 28 -14.715 5.740 0.673
206 2HG2 VAL 28 2HG2 VAL 28 -13.079 5.084 0.381
207 3HG2 VAL 28 3HG2 VAL 28 -13.918 5.963 -0.895
208 H VAL 29 H VAL 29 -13.749 1.081 -0.643
209 HA VAL 29 HA VAL 29 -15.808 -0.196 -1.900
210 HB VAL 29 HB VAL 29 -12.972 -0.529 -1.650
211 1HG1 VAL 29 1HG1 VAL 29 -13.183 -2.612 -0.439
212 2HG1 VAL 29 2HG1 VAL 29 -14.460 -3.194 -1.551
213 3HG1 VAL 29 3HG1 VAL 29 -12.803 -2.971 -2.111
214 1HG2 VAL 29 1HG2 VAL 29 -13.408 -1.606 -3.910
215 2HG2 VAL 29 2HG2 VAL 29 -15.133 -1.509 -3.563
216 3HG2 VAL 29 3HG2 VAL 29 -14.165 -0.025 -3.691
217 H THR 30 H THR 30 -14.342 -1.636 0.982
218 HA THR 30 HA THR 30 -16.678 -3.298 1.341
219 HB THR 30 HB THR 30 -15.405 -3.721 3.546
220 HG1 THR 30 HG1 THR 30 -13.516 -2.908 3.731
221 1HG2 THR 30 1HG2 THR 30 -15.530 -5.359 1.747
222 2HG2 THR 30 2HG2 THR 30 -13.894 -5.336 2.412
223 3HG2 THR 30 3HG2 THR 30 -14.228 -4.536 0.854
224 H ARG 31 H ARG 31 -15.602 -0.183 2.600
225 HA ARG 31 HA ARG 31 -17.337 -0.044 4.799
226 1HB ARG 31 1HB ARG 31 -15.435 1.549 4.208
227 2HB ARG 31 2HB ARG 31 -16.465 2.188 2.925
228 1HG ARG 31 1HG ARG 31 -16.499 3.764 4.696
229 2HG ARG 31 2HG ARG 31 -18.076 2.997 4.706
230 1HD ARG 31 1HD ARG 31 -17.333 1.549 6.546
231 2HD ARG 31 2HD ARG 31 -15.718 2.271 6.496
232 HE ARG 31 HE ARG 31 -18.199 3.383 7.564
233 1HH1 ARG 31 1HH1 ARG 31 -14.848 4.313 6.576
234 2HH1 ARG 31 2HH1 ARG 31 -14.728 5.526 7.756
235 1HH2 ARG 31 1HH2 ARG 31 -18.008 5.126 9.023
236 2HH2 ARG 31 2HH2 ARG 31 -16.461 5.761 9.435
237 H HIS 32 H HIS 32 -18.126 0.085 1.567
238 HA HIS 32 HA HIS 32 -20.948 0.800 2.217
239 1HB HIS 32 1HB HIS 32 -19.163 2.158 0.449
240 2HB HIS 32 2HB HIS 32 -20.402 1.411 -0.536
241 HD1 HIS 32 HD1 HIS 32 -21.760 3.597 -1.071
242 HD2 HIS 32 HD2 HIS 32 -20.954 3.020 3.024
243 HE1 HIS 32 HE1 HIS 32 -23.284 5.180 0.179
244 H ARG 33 H ARG 33 -20.619 -1.481 2.785
245 HA ARG 33 HA ARG 33 -21.158 -3.673 2.562
246 1HB ARG 33 1HB ARG 33 -23.075 -2.677 0.439
247 2HB ARG 33 2HB ARG 33 -23.256 -4.096 1.472
248 1HG ARG 33 1HG ARG 33 -23.516 -2.664 3.449
249 2HG ARG 33 2HG ARG 33 -23.349 -1.205 2.454
250 1HD ARG 33 1HD ARG 33 -25.530 -3.306 2.168
251 2HD ARG 33 2HD ARG 33 -25.709 -1.711 2.919
252 HE ARG 33 HE ARG 33 -24.670 -1.462 0.251
253 1HH1 ARG 33 1HH1 ARG 33 -27.734 -2.381 1.724
254 2HH1 ARG 33 2HH1 ARG 33 -28.707 -1.448 0.621
255 1HH2 ARG 33 1HH2 ARG 33 -25.865 -0.574 -1.343
256 2HH2 ARG 33 2HH2 ARG 33 -27.591 -0.480 -1.329
257 H TYR 34 H TYR 34 -18.803 -3.454 1.239
258 HA TYR 34 HA TYR 34 -17.489 -4.311 -0.402
259 1HB TYR 34 1HB TYR 34 -18.251 -6.399 0.679
260 2HB TYR 34 2HB TYR 34 -19.552 -6.521 -0.498
261 HD1 TYR 34 HD1 TYR 34 -19.150 -7.741 -2.499
262 HD2 TYR 34 HD2 TYR 34 -15.793 -6.181 -0.307
263 HE1 TYR 34 HE1 TYR 34 -17.612 -8.891 -4.060
264 HE2 TYR 34 HE2 TYR 34 -14.247 -7.314 -1.854
265 HH TYR 34 HH TYR 34 -15.358 -9.562 -4.362
266 1HN NH2 35 1H NH2 35 -18.357 -2.300 -1.404
267 2HN NH2 35 2H NH2 35 -19.111 -2.414 -2.984
268 3HM EAB 10 3HM AZT 10 16.981 2.845 -0.950
269 2HM EAB 10 2HM AZT 10 17.440 3.572 0.587
270 HL EAB 10 HL AZT 10 14.615 2.226 1.825
271 HK2 EAB 10 HK2 AZT 10 14.408 0.072 2.962
272 HJ2 EAB 10 HJ2 AZT 10 15.950 -1.782 2.439
273 HG1 EAB 10 HG1 AZT 10 18.522 -3.126 -2.602
274 HG2 EAB 10 HG2 AZT 10 21.418 -6.157 -1.542
275 HD2 EAB 10 HD2 AZT 10 21.439 -5.316 0.775
276 HE EAB 10 HE AZT 10 20.025 -3.364 1.416
277 2HA EAB 10 2HA AZT 10 19.677 -6.317 -3.592
278 3HA EAB 10 3HA AZT 10 21.045 -5.290 -4.023
279 1HN EAB 10 H AZT 10 18.784 -3.712 -4.472
280 HJ1 EAB 10 HJ1 AZT 10 18.174 0.817 -0.188