Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
6403 | 1iyc RC | 5491 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 1HT GLU 1 -10.540 -3.672 -6.889
2 2H GLU 1 2HT GLU 1 -10.493 -1.970 -7.100
3 3H GLU 1 3HT GLU 1 -9.657 -2.698 -5.790
4 HA GLU 1 HA GLU 1 -9.074 -3.113 -8.644
5 1HB GLU 1 2HB GLU 1 -8.647 -0.819 -7.453
6 2HB GLU 1 1HB GLU 1 -7.327 -1.679 -6.672
7 1HG GLU 1 2HG GLU 1 -6.047 -1.509 -8.470
8 2HG GLU 1 1HG GLU 1 -7.321 -2.138 -9.515
9 H LEU 2 H LEU 2 -7.656 -4.717 -9.063
10 HA LEU 2 HA LEU 2 -7.067 -6.596 -6.997
11 1HB LEU 2 2HB LEU 2 -7.550 -7.423 -9.189
12 2HB LEU 2 1HB LEU 2 -6.271 -6.460 -9.897
13 HG LEU 2 HG LEU 2 -5.124 -8.164 -7.912
14 1HD1 LEU 2 1HD1 LEU 2 -7.119 -9.559 -8.241
15 2HD1 LEU 2 2HD1 LEU 2 -5.653 -10.342 -8.832
16 3HD1 LEU 2 3HD1 LEU 2 -6.781 -9.611 -9.972
17 1HD2 LEU 2 1HD2 LEU 2 -4.444 -9.063 -10.473
18 2HD2 LEU 2 2HD2 LEU 2 -3.551 -7.928 -9.460
19 3HD2 LEU 2 3HD2 LEU 2 -4.724 -7.328 -10.632
20 HA PRO 3 HA PRO 3 -2.606 -5.042 -7.512
21 1HB PRO 3 2HB PRO 3 -2.020 -3.058 -9.162
22 2HB PRO 3 1HB PRO 3 -2.399 -4.663 -9.803
23 1HG PRO 3 2HG PRO 3 -4.138 -2.232 -9.642
24 2HG PRO 3 1HG PRO 3 -3.954 -3.389 -10.972
25 1HD PRO 3 2HD PRO 3 -5.990 -3.440 -9.082
26 2HD PRO 3 1HD PRO 3 -5.486 -4.818 -10.079
27 H LYS 4 H LYS 4 -2.408 -4.215 -5.482
28 HA LYS 4 HA LYS 4 -3.673 -1.888 -4.543
29 1HB LYS 4 2HB LYS 4 -1.307 -3.459 -3.544
30 2HB LYS 4 1HB LYS 4 -1.953 -2.069 -2.682
31 1HG LYS 4 2HG LYS 4 -2.927 -3.922 -1.670
32 2HG LYS 4 1HG LYS 4 -4.180 -3.267 -2.724
33 1HD LYS 4 2HD LYS 4 -4.032 -5.729 -2.837
34 2HD LYS 4 1HD LYS 4 -3.724 -4.952 -4.390
35 1HE LYS 4 2HE LYS 4 -2.153 -6.787 -3.935
36 2HE LYS 4 1HE LYS 4 -1.337 -5.233 -4.093
37 1HZ LYS 4 1HZ LYS 4 -1.996 -6.607 -1.544
38 2HZ LYS 4 2HZ LYS 4 -1.261 -5.089 -1.668
39 3HZ LYS 4 3HZ LYS 4 -0.457 -6.467 -2.232
40 H LEU 5 H LEU 5 -3.312 0.001 -5.600
41 HA LEU 5 HA LEU 5 -0.668 1.147 -5.330
42 1HB LEU 5 2HB LEU 5 -0.845 1.979 -7.761
43 2HB LEU 5 1HB LEU 5 -0.284 0.345 -7.462
44 HG LEU 5 HG LEU 5 -2.946 -0.091 -7.766
45 1HD1 LEU 5 1HD1 LEU 5 -2.217 2.266 -9.486
46 2HD1 LEU 5 2HD1 LEU 5 -3.539 2.138 -8.325
47 3HD1 LEU 5 3HD1 LEU 5 -3.581 1.198 -9.816
48 1HD2 LEU 5 1HD2 LEU 5 -2.398 -0.991 -9.910
49 2HD2 LEU 5 2HD2 LEU 5 -1.007 -1.232 -8.853
50 3HD2 LEU 5 3HD2 LEU 5 -0.991 0.061 -10.052
51 HA PRO 6 HA PRO 6 -4.142 4.307 -5.271
52 1HB PRO 6 2HB PRO 6 -5.459 4.057 -2.977
53 2HB PRO 6 1HB PRO 6 -5.829 2.992 -4.340
54 1HG PRO 6 2HG PRO 6 -4.322 2.417 -1.844
55 2HG PRO 6 1HG PRO 6 -5.335 1.344 -2.821
56 1HD PRO 6 2HD PRO 6 -2.507 1.563 -2.880
57 2HD PRO 6 1HD PRO 6 -3.536 0.614 -3.956
58 H ASP 7 H ASP 7 -4.672 5.857 -3.118
59 HA ASP 7 HA ASP 7 -2.685 6.183 -1.201
60 1HB ASP 7 2HB ASP 7 -1.247 7.869 -2.069
61 2HB ASP 7 1HB ASP 7 -1.296 6.588 -3.274
62 H ASP 8 H ASP 8 -4.818 7.912 -3.416
63 HA ASP 8 HA ASP 8 -5.831 9.450 -1.119
64 1HB ASP 8 2HB ASP 8 -6.231 11.350 -2.623
65 2HB ASP 8 1HB ASP 8 -4.524 10.919 -2.585
66 H LYS 9 H LYS 9 -6.935 7.029 -1.777
67 HA LYS 9 HA LYS 9 -9.543 7.857 -2.830
68 1HB LYS 9 2HB LYS 9 -8.985 5.088 -3.457
69 2HB LYS 9 1HB LYS 9 -9.542 6.382 -4.509
70 1HG LYS 9 2HG LYS 9 -6.665 6.227 -3.722
71 2HG LYS 9 1HG LYS 9 -7.298 5.199 -5.010
72 1HD LYS 9 2HD LYS 9 -8.309 7.496 -5.849
73 2HD LYS 9 1HD LYS 9 -6.958 8.153 -4.922
74 1HE LYS 9 2HE LYS 9 -6.617 7.610 -7.428
75 2HE LYS 9 1HE LYS 9 -5.371 7.142 -6.272
76 1HZ LYS 9 1HZ LYS 9 -7.505 5.248 -7.004
77 2HZ LYS 9 2HZ LYS 9 -5.953 4.927 -6.415
78 3HZ LYS 9 3HZ LYS 9 -6.161 5.444 -8.012
79 H VAL 10 H VAL 10 -8.003 4.958 -1.465
80 HA VAL 10 HA VAL 10 -10.052 4.947 0.641
81 HB VAL 10 HB VAL 10 -9.107 2.561 -0.946
82 1HG1 VAL 10 1HG1 VAL 10 -9.361 1.764 1.237
83 2HG1 VAL 10 2HG1 VAL 10 -10.901 1.401 0.457
84 3HG1 VAL 10 3HG1 VAL 10 -10.767 2.785 1.542
85 1HG2 VAL 10 1HG2 VAL 10 -11.754 2.498 -1.200
86 2HG2 VAL 10 2HG2 VAL 10 -10.724 3.414 -2.302
87 3HG2 VAL 10 3HG2 VAL 10 -11.555 4.236 -0.982
88 H LEU 11 H LEU 11 -6.844 3.961 -0.409
89 HA LEU 11 HA LEU 11 -5.058 3.100 0.756
90 1HB LEU 11 2HB LEU 11 -4.671 4.695 2.848
91 2HB LEU 11 1HB LEU 11 -4.373 5.208 1.199
92 HG LEU 11 HG LEU 11 -7.053 5.700 2.442
93 1HD1 LEU 11 1HD1 LEU 11 -6.367 7.381 3.758
94 2HD1 LEU 11 2HD1 LEU 11 -5.125 7.900 2.620
95 3HD1 LEU 11 3HD1 LEU 11 -4.808 6.556 3.717
96 1HD2 LEU 11 1HD2 LEU 11 -7.311 6.503 0.370
97 2HD2 LEU 11 2HD2 LEU 11 -5.575 6.502 0.057
98 3HD2 LEU 11 3HD2 LEU 11 -6.315 7.854 0.913
99 H ILE 12 H ILE 12 -7.173 1.496 1.346
100 HA ILE 12 HA ILE 12 -7.690 1.263 4.133
101 HB ILE 12 HB ILE 12 -8.195 -1.234 3.360
102 1HG1 ILE 12 2HG1 ILE 12 -9.093 -0.078 0.834
103 2HG1 ILE 12 1HG1 ILE 12 -7.345 -0.188 0.959
104 1HG2 ILE 12 1HG2 ILE 12 -9.775 1.258 3.171
105 2HG2 ILE 12 2HG2 ILE 12 -9.985 -0.151 4.212
106 3HG2 ILE 12 3HG2 ILE 12 -10.471 -0.225 2.517
107 1HD1 ILE 12 1HD1 ILE 12 -8.893 -2.174 0.069
108 2HD1 ILE 12 2HD1 ILE 12 -8.828 -2.581 1.785
109 3HD1 ILE 12 3HD1 ILE 12 -7.336 -2.425 0.858
110 H ARG 13 H ARG 13 -6.236 0.731 5.611
111 HA ARG 13 HA ARG 13 -3.753 -0.486 5.060
112 1HB ARG 13 2HB ARG 13 -4.973 0.710 7.270
113 2HB ARG 13 1HB ARG 13 -4.674 -0.946 7.777
114 1HG ARG 13 2HG ARG 13 -2.594 -0.353 8.242
115 2HG ARG 13 1HG ARG 13 -2.325 -0.143 6.510
116 1HD ARG 13 2HD ARG 13 -1.800 1.963 7.102
117 2HD ARG 13 1HD ARG 13 -3.549 2.189 7.104
118 HE ARG 13 HE ARG 13 -2.999 1.349 9.629
119 1HH1 ARG 13 1HH1 ARG 13 -1.806 3.911 7.601
120 2HH1 ARG 13 2HH1 ARG 13 -1.440 4.967 8.924
121 1HH2 ARG 13 1HH2 ARG 13 -2.521 2.729 11.384
122 2HH2 ARG 13 2HH2 ARG 13 -1.846 4.294 11.077
123 H SER 14 H SER 14 -6.901 -1.692 5.479
124 HA SER 14 HA SER 14 -7.069 -4.048 6.538
125 1HB SER 14 2HB SER 14 -7.838 -3.240 3.770
126 2HB SER 14 1HB SER 14 -8.076 -4.917 4.262
127 HG SER 14 HG SER 14 -9.312 -2.587 5.190
128 H ARG 15 H ARG 15 -6.165 -4.443 3.186
129 HA ARG 15 HA ARG 15 -3.621 -5.559 3.579
130 1HB ARG 15 2HB ARG 15 -4.232 -7.976 3.150
131 2HB ARG 15 1HB ARG 15 -4.619 -7.374 4.756
132 1HG ARG 15 2HG ARG 15 -6.814 -7.685 4.474
133 2HG ARG 15 1HG ARG 15 -6.789 -7.066 2.822
134 1HD ARG 15 2HD ARG 15 -5.431 -9.453 2.621
135 2HD ARG 15 1HD ARG 15 -6.694 -9.809 3.798
136 HE ARG 15 HE ARG 15 -8.307 -9.456 2.157
137 1HH1 ARG 15 1HH1 ARG 15 -5.112 -8.783 0.933
138 2HH1 ARG 15 2HH1 ARG 15 -5.611 -8.794 -0.726
139 1HH2 ARG 15 1HH2 ARG 15 -8.966 -9.467 -0.019
140 2HH2 ARG 15 2HH2 ARG 15 -7.799 -9.183 -1.266
141 H SER 16 H SER 16 -5.014 -3.862 1.827
142 HA SER 16 HA SER 16 -4.045 -4.866 -0.667
143 1HB SER 16 2HB SER 16 -7.008 -4.401 -0.699
144 2HB SER 16 1HB SER 16 -6.007 -5.296 -1.842
145 HG SER 16 HG SER 16 -7.372 -6.526 -0.279
146 H ASN 17 H ASN 17 -3.281 -2.584 0.534
147 HA ASN 17 HA ASN 17 -3.966 -0.621 -1.400
148 1HB ASN 17 2HB ASN 17 -5.643 -0.770 0.865
149 2HB ASN 17 1HB ASN 17 -4.663 0.680 1.040
150 1HD2 ASN 17 1HD2 ASN 17 -6.372 -1.046 -1.547
151 2HD2 ASN 17 2HD2 ASN 17 -7.113 0.357 -2.229
152 H CYS 18 H CYS 18 -2.913 1.436 -1.063
153 HA CYS 18 HA CYS 18 -0.650 1.361 0.806
154 1HB CYS 18 2HB CYS 18 -0.124 2.679 -1.775
155 2HB CYS 18 1HB CYS 18 0.916 1.642 -0.830
156 HA PRO 19 HA PRO 19 -2.557 5.186 2.050
157 1HB PRO 19 2HB PRO 19 0.157 5.647 3.181
158 2HB PRO 19 1HB PRO 19 -1.424 5.750 3.965
159 1HG PRO 19 2HG PRO 19 0.159 3.670 4.420
160 2HG PRO 19 1HG PRO 19 -1.591 3.443 4.220
161 1HD PRO 19 2HD PRO 19 0.622 2.926 2.274
162 2HD PRO 19 1HD PRO 19 -0.840 1.973 2.593
163 H LYS 20 H LYS 20 -1.774 7.564 2.197
164 HA LYS 20 HA LYS 20 -1.326 8.549 -0.363
165 1HB LYS 20 2HB LYS 20 -0.852 10.708 0.781
166 2HB LYS 20 1HB LYS 20 -2.310 9.917 1.370
167 1HG LYS 20 2HG LYS 20 -0.914 8.971 3.232
168 2HG LYS 20 1HG LYS 20 0.376 10.053 2.701
169 1HD LYS 20 2HD LYS 20 -1.459 11.894 2.889
170 2HD LYS 20 1HD LYS 20 -2.278 10.716 3.918
171 1HE LYS 20 2HE LYS 20 0.459 10.859 4.693
172 2HE LYS 20 1HE LYS 20 -0.183 12.498 4.598
173 1HZ LYS 20 1HZ LYS 20 -2.158 11.339 5.892
174 2HZ LYS 20 2HZ LYS 20 -0.816 11.983 6.694
175 3HZ LYS 20 3HZ LYS 20 -0.906 10.320 6.400
176 H GLY 21 H GLY 21 0.483 9.102 -1.519
177 1HA GLY 21 2HA GLY 21 2.697 8.685 -2.159
178 2HA GLY 21 1HA GLY 21 2.963 9.833 -0.853
179 H LYS 22 H LYS 22 2.753 6.407 -1.646
180 HA LYS 22 HA LYS 22 4.545 5.862 0.595
181 1HB LYS 22 2HB LYS 22 3.233 4.099 1.411
182 2HB LYS 22 1HB LYS 22 2.105 5.397 1.127
183 1HG LYS 22 2HG LYS 22 2.541 2.960 -0.564
184 2HG LYS 22 1HG LYS 22 1.126 3.357 0.410
185 1HD LYS 22 2HD LYS 22 0.300 4.203 -1.490
186 2HD LYS 22 1HD LYS 22 1.345 5.560 -1.152
187 1HE LYS 22 2HE LYS 22 1.423 4.411 -3.486
188 2HE LYS 22 1HE LYS 22 2.913 4.931 -2.708
189 1HZ LYS 22 1HZ LYS 22 1.905 2.191 -2.326
190 2HZ LYS 22 2HZ LYS 22 3.479 2.776 -2.161
191 3HZ LYS 22 3HZ LYS 22 2.806 2.590 -3.700
192 H VAL 23 H VAL 23 4.649 3.097 0.266
193 HA VAL 23 HA VAL 23 5.277 2.439 -2.448
194 HB VAL 23 HB VAL 23 7.737 1.930 -1.202
195 1HG1 VAL 23 1HG1 VAL 23 8.489 3.650 -2.938
196 2HG1 VAL 23 2HG1 VAL 23 6.781 3.770 -3.365
197 3HG1 VAL 23 3HG1 VAL 23 7.623 2.227 -3.517
198 1HG2 VAL 23 1HG2 VAL 23 7.273 4.877 -1.069
199 2HG2 VAL 23 2HG2 VAL 23 8.516 3.900 -0.289
200 3HG2 VAL 23 3HG2 VAL 23 6.860 3.862 0.313
201 H TRP 24 H TRP 24 4.906 0.333 -2.685
202 HA TRP 24 HA TRP 24 4.438 -1.342 -0.466
203 1HB TRP 24 2HB TRP 24 3.175 -1.831 -2.349
204 2HB TRP 24 1HB TRP 24 4.556 -1.714 -3.399
205 HD1 TRP 24 HD TRP 24 5.900 -3.918 -3.888
206 HE1 TRP 24 1HE TRP 24 5.456 -6.395 -3.384
207 HE3 TRP 24 3HE TRP 24 2.253 -3.359 -0.390
208 HZ2 TRP 24 2HZ TRP 24 3.769 -7.913 -1.719
209 HZ3 TRP 24 3HZ TRP 24 1.292 -5.379 0.631
210 HH2 TRP 24 HH TRP 24 2.023 -7.602 -0.022
211 H ASN 25 H ASN 25 5.390 -3.504 -0.322
212 HA ASN 25 HA ASN 25 8.228 -3.700 -0.940
213 1HB ASN 25 2HB ASN 25 8.005 -2.493 1.271
214 2HB ASN 25 1HB ASN 25 7.238 -3.941 1.912
215 1HD2 ASN 25 1HD2 ASN 25 8.467 -5.708 2.398
216 2HD2 ASN 25 2HD2 ASN 25 10.195 -5.698 2.379
217 H GLY 26 H GLY 26 9.013 -5.927 0.077
218 1HA GLY 26 2HA GLY 26 8.096 -8.034 -1.177
219 2HA GLY 26 1HA GLY 26 8.580 -8.188 0.500
220 H PHE 27 H PHE 27 6.280 -6.678 1.567
221 HA PHE 27 HA PHE 27 3.924 -8.000 0.679
222 1HB PHE 27 2HB PHE 27 3.651 -9.036 3.061
223 2HB PHE 27 1HB PHE 27 4.566 -9.893 1.825
224 HD1 PHE 27 1HD PHE 27 5.232 -7.230 4.354
225 HD2 PHE 27 2HD PHE 27 6.491 -10.879 2.563
226 HE1 PHE 27 1HE PHE 27 7.187 -7.283 5.846
227 HE2 PHE 27 2HE PHE 27 8.450 -10.939 4.052
228 HZ PHE 27 HZ PHE 27 8.798 -9.139 5.697
229 H ASP 28 H ASP 28 4.377 -5.268 0.926
230 HA ASP 28 HA ASP 28 2.263 -4.534 2.715
231 1HB ASP 28 2HB ASP 28 5.081 -4.100 3.591
232 2HB ASP 28 1HB ASP 28 3.840 -2.932 4.030
233 H CYS 29 H CYS 29 1.319 -2.743 1.978
234 HA CYS 29 HA CYS 29 2.792 -1.075 0.068
235 1HB CYS 29 2HB CYS 29 0.124 -2.070 0.175
236 2HB CYS 29 1HB CYS 29 0.067 -0.312 0.260
237 H LYS 30 H LYS 30 3.940 0.340 1.385
238 HA LYS 30 HA LYS 30 2.400 2.468 2.545
239 1HB LYS 30 2HB LYS 30 4.254 1.325 4.564
240 2HB LYS 30 1HB LYS 30 2.793 2.271 4.790
241 1HG LYS 30 2HG LYS 30 2.625 -0.525 3.784
242 2HG LYS 30 1HG LYS 30 2.863 -0.201 5.495
243 1HD LYS 30 2HD LYS 30 0.780 0.691 5.766
244 2HD LYS 30 1HD LYS 30 0.702 1.287 4.106
245 1HE LYS 30 2HE LYS 30 -0.554 -0.471 3.586
246 2HE LYS 30 1HE LYS 30 0.831 -1.510 3.921
247 1HZ LYS 30 1HZ LYS 30 -0.427 -0.757 6.339
248 2HZ LYS 30 2HZ LYS 30 -0.191 -2.306 5.701
249 3HZ LYS 30 3HZ LYS 30 -1.574 -1.424 5.289
250 H SER 31 H SER 31 3.759 4.090 3.608
251 HA SER 31 HA SER 31 5.625 5.095 1.887
252 1HB SER 31 2HB SER 31 4.506 5.914 4.298
253 2HB SER 31 1HB SER 31 6.242 5.897 4.614
254 HG SER 31 HG SER 31 4.926 7.234 2.483
255 HA PRO 32 HA PRO 32 9.431 3.044 2.583
256 1HB PRO 32 2HB PRO 32 11.229 4.989 2.072
257 2HB PRO 32 1HB PRO 32 10.216 4.292 0.802
258 1HG PRO 32 2HG PRO 32 9.892 6.867 2.284
259 2HG PRO 32 1HG PRO 32 9.646 6.526 0.563
260 1HD PRO 32 2HD PRO 32 7.614 6.696 2.394
261 2HD PRO 32 1HD PRO 32 7.520 5.744 0.901
262 H PHE 33 H PHE 33 8.597 5.784 4.467
263 HA PHE 33 HA PHE 33 10.781 6.004 6.181
264 1HB PHE 33 2HB PHE 33 8.002 6.228 7.257
265 2HB PHE 33 1HB PHE 33 9.398 7.255 7.557
266 HD1 PHE 33 1HD PHE 33 6.321 7.568 6.447
267 HD2 PHE 33 2HD PHE 33 10.261 8.022 4.906
268 HE1 PHE 33 1HE PHE 33 5.480 9.169 4.781
269 HE2 PHE 33 2HE PHE 33 9.427 9.624 3.236
270 HZ PHE 33 HZ PHE 33 7.035 10.202 3.172
271 H ALA 34 H ALA 34 8.292 3.612 5.922
272 HA ALA 34 HA ALA 34 9.279 2.292 8.361
273 1HB ALA 34 1HB ALA 34 7.184 1.679 8.876
274 2HB ALA 34 2HB ALA 34 6.785 1.284 7.203
275 3HB ALA 34 3HB ALA 34 6.711 2.957 7.757
276 H PHE 35 H PHE 35 10.720 2.097 5.979
277 HA PHE 35 HA PHE 35 10.960 -0.724 5.746
278 1HB PHE 35 2HB PHE 35 9.758 0.783 3.425
279 2HB PHE 35 1HB PHE 35 10.556 -0.774 3.236
280 HD1 PHE 35 1HD PHE 35 7.488 0.810 3.703
281 HD2 PHE 35 2HD PHE 35 9.666 -2.648 4.894
282 HE1 PHE 35 1HE PHE 35 5.376 -0.325 4.259
283 HE2 PHE 35 2HE PHE 35 7.557 -3.788 5.452
284 HZ PHE 35 HZ PHE 35 5.409 -2.625 5.135
285 H SER 36 H SER 36 11.665 2.416 4.322
286 HA SER 36 HA SER 36 14.117 1.623 3.112
287 1HB SER 36 2HB SER 36 12.697 4.193 3.608
288 2HB SER 36 1HB SER 36 14.428 4.269 3.278
289 HG SER 36 HG SER 36 14.071 3.243 1.320
Start of MODEL 2
1 1H GLU 1 1HT GLU 1 -4.181 -12.483 -6.171
2 2H GLU 1 2HT GLU 1 -4.810 -11.571 -7.483
3 3H GLU 1 3HT GLU 1 -5.643 -11.605 -5.983
4 HA GLU 1 HA GLU 1 -3.487 -10.676 -5.043
5 1HB GLU 1 2HB GLU 1 -2.363 -11.088 -7.286
6 2HB GLU 1 1HB GLU 1 -3.299 -9.734 -7.905
7 1HG GLU 1 2HG GLU 1 -1.272 -8.768 -7.373
8 2HG GLU 1 1HG GLU 1 -2.262 -8.409 -5.958
9 H LEU 2 H LEU 2 -3.634 -8.475 -4.435
10 HA LEU 2 HA LEU 2 -6.178 -7.213 -5.207
11 1HB LEU 2 2HB LEU 2 -4.688 -7.412 -2.651
12 2HB LEU 2 1HB LEU 2 -5.535 -5.908 -2.957
13 HG LEU 2 HG LEU 2 -6.836 -7.556 -1.620
14 1HD1 LEU 2 1HD1 LEU 2 -8.099 -6.970 -4.288
15 2HD1 LEU 2 2HD1 LEU 2 -7.878 -5.767 -3.018
16 3HD1 LEU 2 3HD1 LEU 2 -8.908 -7.169 -2.734
17 1HD2 LEU 2 1HD2 LEU 2 -6.069 -9.600 -2.684
18 2HD2 LEU 2 2HD2 LEU 2 -6.834 -9.119 -4.199
19 3HD2 LEU 2 3HD2 LEU 2 -7.825 -9.475 -2.785
20 HA PRO 3 HA PRO 3 -3.988 -3.854 -7.035
21 1HB PRO 3 2HB PRO 3 -5.817 -1.866 -6.690
22 2HB PRO 3 1HB PRO 3 -5.994 -3.146 -7.896
23 1HG PRO 3 2HG PRO 3 -7.230 -2.922 -5.179
24 2HG PRO 3 1HG PRO 3 -7.973 -3.431 -6.707
25 1HD PRO 3 2HD PRO 3 -7.172 -5.208 -4.842
26 2HD PRO 3 1HD PRO 3 -7.080 -5.558 -6.580
27 H LYS 4 H LYS 4 -2.810 -4.295 -4.700
28 HA LYS 4 HA LYS 4 -3.085 -2.343 -2.705
29 1HB LYS 4 2HB LYS 4 -1.042 -4.358 -3.454
30 2HB LYS 4 1HB LYS 4 -0.513 -3.049 -2.406
31 1HG LYS 4 2HG LYS 4 -1.151 -4.691 -0.912
32 2HG LYS 4 1HG LYS 4 -2.579 -3.657 -0.986
33 1HD LYS 4 2HD LYS 4 -3.773 -5.449 -1.527
34 2HD LYS 4 1HD LYS 4 -2.886 -5.527 -3.047
35 1HE LYS 4 2HE LYS 4 -2.843 -7.655 -1.785
36 2HE LYS 4 1HE LYS 4 -1.239 -6.983 -2.070
37 1HZ LYS 4 1HZ LYS 4 -1.868 -5.913 0.308
38 2HZ LYS 4 2HZ LYS 4 -0.982 -7.342 0.112
39 3HZ LYS 4 3HZ LYS 4 -2.644 -7.412 0.419
40 H LEU 5 H LEU 5 -3.285 -0.649 -4.670
41 HA LEU 5 HA LEU 5 -0.797 0.851 -4.554
42 1HB LEU 5 2HB LEU 5 -1.894 1.233 -7.160
43 2HB LEU 5 1HB LEU 5 -0.293 0.696 -6.703
44 HG LEU 5 HG LEU 5 -2.034 -1.534 -6.421
45 1HD1 LEU 5 1HD1 LEU 5 -3.653 -1.050 -7.896
46 2HD1 LEU 5 2HD1 LEU 5 -2.422 -1.441 -9.097
47 3HD1 LEU 5 3HD1 LEU 5 -2.719 0.240 -8.653
48 1HD2 LEU 5 1HD2 LEU 5 -0.609 -2.229 -8.490
49 2HD2 LEU 5 2HD2 LEU 5 0.162 -2.002 -6.920
50 3HD2 LEU 5 3HD2 LEU 5 0.265 -0.737 -8.144
51 HA PRO 6 HA PRO 6 -4.774 3.525 -4.742
52 1HB PRO 6 2HB PRO 6 -6.053 3.320 -2.421
53 2HB PRO 6 1HB PRO 6 -6.313 2.121 -3.696
54 1HG PRO 6 2HG PRO 6 -4.541 1.951 -1.280
55 2HG PRO 6 1HG PRO 6 -5.687 0.751 -1.907
56 1HD PRO 6 2HD PRO 6 -3.007 0.657 -2.406
57 2HD PRO 6 1HD PRO 6 -4.243 0.016 -3.504
58 H ASP 7 H ASP 7 -5.287 5.465 -3.330
59 HA ASP 7 HA ASP 7 -3.787 6.197 -1.107
60 1HB ASP 7 2HB ASP 7 -2.441 7.990 -2.699
61 2HB ASP 7 1HB ASP 7 -1.748 6.535 -1.990
62 H ASP 8 H ASP 8 -5.847 7.004 -0.617
63 HA ASP 8 HA ASP 8 -6.307 9.698 -1.625
64 1HB ASP 8 2HB ASP 8 -7.719 8.370 -3.084
65 2HB ASP 8 1HB ASP 8 -8.413 7.526 -1.703
66 H LYS 9 H LYS 9 -5.395 8.485 0.879
67 HA LYS 9 HA LYS 9 -5.660 8.682 3.116
68 1HB LYS 9 2HB LYS 9 -7.471 10.931 2.247
69 2HB LYS 9 1HB LYS 9 -6.850 10.704 3.876
70 1HG LYS 9 2HG LYS 9 -5.044 11.863 3.339
71 2HG LYS 9 1HG LYS 9 -4.643 10.663 2.110
72 1HD LYS 9 2HD LYS 9 -6.535 12.025 0.790
73 2HD LYS 9 1HD LYS 9 -5.933 13.312 1.834
74 1HE LYS 9 2HE LYS 9 -3.845 11.701 0.552
75 2HE LYS 9 1HE LYS 9 -4.856 12.613 -0.568
76 1HZ LYS 9 1HZ LYS 9 -3.216 14.116 -0.067
77 2HZ LYS 9 2HZ LYS 9 -3.063 13.607 1.539
78 3HZ LYS 9 3HZ LYS 9 -4.391 14.543 1.073
79 H VAL 10 H VAL 10 -7.684 7.159 1.402
80 HA VAL 10 HA VAL 10 -9.676 6.788 3.537
81 HB VAL 10 HB VAL 10 -10.134 6.803 0.556
82 1HG1 VAL 10 1HG1 VAL 10 -11.368 4.938 1.202
83 2HG1 VAL 10 2HG1 VAL 10 -12.543 6.250 1.292
84 3HG1 VAL 10 3HG1 VAL 10 -11.790 5.637 2.764
85 1HG2 VAL 10 1HG2 VAL 10 -10.547 8.701 2.661
86 2HG2 VAL 10 2HG2 VAL 10 -12.098 8.247 1.954
87 3HG2 VAL 10 3HG2 VAL 10 -10.813 8.883 0.927
88 H LEU 11 H LEU 11 -7.181 5.457 1.846
89 HA LEU 11 HA LEU 11 -7.880 2.928 1.094
90 1HB LEU 11 2HB LEU 11 -5.472 2.369 1.964
91 2HB LEU 11 1HB LEU 11 -5.709 3.415 0.581
92 HG LEU 11 HG LEU 11 -4.024 4.042 2.500
93 1HD1 LEU 11 1HD1 LEU 11 -3.898 5.721 1.059
94 2HD1 LEU 11 2HD1 LEU 11 -5.145 6.529 2.008
95 3HD1 LEU 11 3HD1 LEU 11 -5.595 5.553 0.609
96 1HD2 LEU 11 1HD2 LEU 11 -4.846 5.200 4.312
97 2HD2 LEU 11 2HD2 LEU 11 -6.034 3.909 4.145
98 3HD2 LEU 11 3HD2 LEU 11 -6.397 5.525 3.540
99 H ILE 12 H ILE 12 -6.627 1.026 2.455
100 HA ILE 12 HA ILE 12 -7.792 0.997 5.149
101 HB ILE 12 HB ILE 12 -7.961 -1.623 4.397
102 1HG1 ILE 12 2HG1 ILE 12 -9.513 -0.626 2.177
103 2HG1 ILE 12 1HG1 ILE 12 -7.813 -0.246 1.957
104 1HG2 ILE 12 1HG2 ILE 12 -10.452 -0.311 3.853
105 2HG2 ILE 12 2HG2 ILE 12 -9.660 0.397 5.260
106 3HG2 ILE 12 3HG2 ILE 12 -9.987 -1.334 5.212
107 1HD1 ILE 12 1HD1 ILE 12 -7.210 -2.559 2.201
108 2HD1 ILE 12 2HD1 ILE 12 -8.449 -2.392 0.956
109 3HD1 ILE 12 3HD1 ILE 12 -8.883 -2.986 2.559
110 H ARG 13 H ARG 13 -6.275 0.553 6.612
111 HA ARG 13 HA ARG 13 -3.679 -0.361 5.921
112 1HB ARG 13 2HB ARG 13 -5.032 0.584 8.269
113 2HB ARG 13 1HB ARG 13 -4.172 -0.896 8.665
114 1HG ARG 13 2HG ARG 13 -2.648 0.809 9.118
115 2HG ARG 13 1HG ARG 13 -2.148 0.180 7.547
116 1HD ARG 13 2HD ARG 13 -2.262 2.262 6.774
117 2HD ARG 13 1HD ARG 13 -4.011 2.166 6.967
118 HE ARG 13 HE ARG 13 -2.505 2.953 9.319
119 1HH1 ARG 13 1HH1 ARG 13 -4.362 3.952 6.546
120 2HH1 ARG 13 2HH1 ARG 13 -4.731 5.514 7.195
121 1HH2 ARG 13 1HH2 ARG 13 -2.985 5.007 10.182
122 2HH2 ARG 13 2HH2 ARG 13 -3.949 6.114 9.262
123 H SER 14 H SER 14 -6.640 -1.900 6.358
124 HA SER 14 HA SER 14 -6.545 -4.228 7.500
125 1HB SER 14 2HB SER 14 -7.274 -3.822 4.605
126 2HB SER 14 1HB SER 14 -7.652 -5.288 5.510
127 HG SER 14 HG SER 14 -9.071 -4.196 6.727
128 H ARG 15 H ARG 15 -5.636 -4.630 4.155
129 HA ARG 15 HA ARG 15 -2.983 -5.459 4.541
130 1HB ARG 15 2HB ARG 15 -3.181 -7.878 4.441
131 2HB ARG 15 1HB ARG 15 -4.056 -7.278 5.844
132 1HG ARG 15 2HG ARG 15 -6.157 -7.534 4.720
133 2HG ARG 15 1HG ARG 15 -5.344 -7.955 3.211
134 1HD ARG 15 2HD ARG 15 -4.423 -9.961 4.290
135 2HD ARG 15 1HD ARG 15 -5.279 -9.543 5.774
136 HE ARG 15 HE ARG 15 -7.197 -9.634 3.799
137 1HH1 ARG 15 1HH1 ARG 15 -4.873 -11.839 5.167
138 2HH1 ARG 15 2HH1 ARG 15 -5.845 -13.244 4.884
139 1HH2 ARG 15 1HH2 ARG 15 -8.486 -11.481 3.424
140 2HH2 ARG 15 2HH2 ARG 15 -7.897 -13.041 3.896
141 H SER 16 H SER 16 -4.599 -4.020 2.727
142 HA SER 16 HA SER 16 -3.535 -4.989 0.263
143 1HB SER 16 2HB SER 16 -6.542 -4.979 0.277
144 2HB SER 16 1HB SER 16 -5.443 -5.756 -0.860
145 HG SER 16 HG SER 16 -5.008 -7.325 0.638
146 H ASN 17 H ASN 17 -3.154 -2.597 1.447
147 HA ASN 17 HA ASN 17 -4.108 -0.774 -0.529
148 1HB ASN 17 2HB ASN 17 -5.680 -1.132 1.820
149 2HB ASN 17 1HB ASN 17 -4.940 0.462 1.890
150 1HD2 ASN 17 1HD2 ASN 17 -6.848 -1.679 -0.157
151 2HD2 ASN 17 2HD2 ASN 17 -7.689 -0.424 -0.994
152 H CYS 18 H CYS 18 -2.977 1.161 -0.546
153 HA CYS 18 HA CYS 18 -0.821 1.402 1.453
154 1HB CYS 18 2HB CYS 18 -0.336 2.807 -1.057
155 2HB CYS 18 1HB CYS 18 0.699 1.698 -0.182
156 HA PRO 19 HA PRO 19 -2.596 5.332 2.414
157 1HB PRO 19 2HB PRO 19 -0.434 6.584 3.496
158 2HB PRO 19 1HB PRO 19 -1.332 5.316 4.332
159 1HG PRO 19 2HG PRO 19 1.247 5.151 2.847
160 2HG PRO 19 1HG PRO 19 0.774 4.367 4.363
161 1HD PRO 19 2HD PRO 19 0.790 3.095 1.950
162 2HD PRO 19 1HD PRO 19 -0.291 2.651 3.285
163 H LYS 20 H LYS 20 -1.118 7.787 2.371
164 HA LYS 20 HA LYS 20 -1.147 8.281 -0.488
165 1HB LYS 20 2HB LYS 20 -0.914 10.652 0.175
166 2HB LYS 20 1HB LYS 20 -2.274 9.867 0.972
167 1HG LYS 20 2HG LYS 20 -1.036 9.648 3.005
168 2HG LYS 20 1HG LYS 20 0.433 10.235 2.224
169 1HD LYS 20 2HD LYS 20 -0.834 12.377 1.751
170 2HD LYS 20 1HD LYS 20 -2.082 11.774 2.843
171 1HE LYS 20 2HE LYS 20 0.090 11.415 4.384
172 2HE LYS 20 1HE LYS 20 0.629 12.793 3.426
173 1HZ LYS 20 1HZ LYS 20 -0.533 13.375 5.531
174 2HZ LYS 20 2HZ LYS 20 -1.954 12.724 4.883
175 3HZ LYS 20 3HZ LYS 20 -1.226 14.062 4.148
176 H GLY 21 H GLY 21 0.608 8.810 -1.725
177 1HA GLY 21 2HA GLY 21 2.832 8.715 -2.348
178 2HA GLY 21 1HA GLY 21 3.055 9.793 -0.975
179 H LYS 22 H LYS 22 2.328 6.346 -1.425
180 HA LYS 22 HA LYS 22 4.352 5.733 0.610
181 1HB LYS 22 2HB LYS 22 2.982 3.482 0.569
182 2HB LYS 22 1HB LYS 22 2.408 4.876 1.461
183 1HG LYS 22 2HG LYS 22 0.632 3.806 0.167
184 2HG LYS 22 1HG LYS 22 0.916 5.472 -0.318
185 1HD LYS 22 2HD LYS 22 0.571 3.907 -2.229
186 2HD LYS 22 1HD LYS 22 2.093 4.785 -2.284
187 1HE LYS 22 2HE LYS 22 2.910 2.591 -0.992
188 2HE LYS 22 1HE LYS 22 1.578 1.899 -1.903
189 1HZ LYS 22 1HZ LYS 22 2.552 2.717 -3.932
190 2HZ LYS 22 2HZ LYS 22 3.677 1.766 -3.104
191 3HZ LYS 22 3HZ LYS 22 3.814 3.450 -3.079
192 H VAL 23 H VAL 23 4.675 3.078 0.179
193 HA VAL 23 HA VAL 23 5.315 2.466 -2.530
194 HB VAL 23 HB VAL 23 7.787 2.029 -1.506
195 1HG1 VAL 23 1HG1 VAL 23 6.841 3.200 -3.650
196 2HG1 VAL 23 2HG1 VAL 23 8.499 3.493 -3.125
197 3HG1 VAL 23 3HG1 VAL 23 7.236 4.669 -2.758
198 1HG2 VAL 23 1HG2 VAL 23 7.041 3.394 0.514
199 2HG2 VAL 23 2HG2 VAL 23 7.114 4.792 -0.558
200 3HG2 VAL 23 3HG2 VAL 23 8.568 3.845 -0.244
201 H TRP 24 H TRP 24 4.791 0.354 -2.639
202 HA TRP 24 HA TRP 24 4.528 -1.248 -0.339
203 1HB TRP 24 2HB TRP 24 3.080 -1.848 -2.034
204 2HB TRP 24 1HB TRP 24 4.304 -1.657 -3.262
205 HD1 TRP 24 HD TRP 24 5.889 -3.773 -3.763
206 HE1 TRP 24 1HE TRP 24 5.553 -6.280 -3.318
207 HE3 TRP 24 3HE TRP 24 2.208 -3.448 -0.288
208 HZ2 TRP 24 2HZ TRP 24 3.925 -7.910 -1.689
209 HZ3 TRP 24 3HZ TRP 24 1.333 -5.529 0.696
210 HH2 TRP 24 HH TRP 24 2.159 -7.708 0.005
211 H ASN 25 H ASN 25 5.489 -3.408 -0.221
212 HA ASN 25 HA ASN 25 8.270 -3.592 -1.078
213 1HB ASN 25 2HB ASN 25 8.025 -2.402 1.221
214 2HB ASN 25 1HB ASN 25 7.624 -4.004 1.830
215 1HD2 ASN 25 1HD2 ASN 25 9.370 -4.455 3.019
216 2HD2 ASN 25 2HD2 ASN 25 10.984 -4.536 2.409
217 H GLY 26 H GLY 26 9.147 -5.769 0.047
218 1HA GLY 26 2HA GLY 26 8.288 -7.919 -1.171
219 2HA GLY 26 1HA GLY 26 8.786 -8.026 0.505
220 H PHE 27 H PHE 27 6.419 -6.588 1.574
221 HA PHE 27 HA PHE 27 4.121 -8.010 0.678
222 1HB PHE 27 2HB PHE 27 5.799 -9.319 2.537
223 2HB PHE 27 1HB PHE 27 4.358 -8.816 3.410
224 HD1 PHE 27 1HD PHE 27 4.209 -9.621 -0.164
225 HD2 PHE 27 2HD PHE 27 3.657 -11.088 3.794
226 HE1 PHE 27 1HE PHE 27 2.996 -11.560 -1.058
227 HE2 PHE 27 2HE PHE 27 2.441 -13.032 2.904
228 HZ PHE 27 HZ PHE 27 2.110 -13.270 0.475
229 H ASP 28 H ASP 28 4.478 -5.274 0.988
230 HA ASP 28 HA ASP 28 2.291 -4.638 2.713
231 1HB ASP 28 2HB ASP 28 5.063 -4.105 3.688
232 2HB ASP 28 1HB ASP 28 3.754 -3.006 4.113
233 H CYS 29 H CYS 29 1.542 -2.505 2.460
234 HA CYS 29 HA CYS 29 2.888 -1.014 0.306
235 1HB CYS 29 2HB CYS 29 0.232 -1.933 0.529
236 2HB CYS 29 1HB CYS 29 0.177 -0.183 0.723
237 H LYS 30 H LYS 30 4.133 0.454 1.416
238 HA LYS 30 HA LYS 30 2.785 2.623 2.690
239 1HB LYS 30 2HB LYS 30 3.665 0.458 4.297
240 2HB LYS 30 1HB LYS 30 4.681 1.845 4.652
241 1HG LYS 30 2HG LYS 30 3.062 2.420 6.054
242 2HG LYS 30 1HG LYS 30 2.244 2.996 4.605
243 1HD LYS 30 2HD LYS 30 0.934 1.500 6.236
244 2HD LYS 30 1HD LYS 30 0.836 1.145 4.517
245 1HE LYS 30 2HE LYS 30 1.844 -0.849 4.752
246 2HE LYS 30 1HE LYS 30 3.034 -0.215 5.889
247 1HZ LYS 30 1HZ LYS 30 0.232 -0.938 6.561
248 2HZ LYS 30 2HZ LYS 30 1.389 -0.353 7.647
249 3HZ LYS 30 3HZ LYS 30 1.599 -1.867 6.921
250 H SER 31 H SER 31 4.040 4.476 2.861
251 HA SER 31 HA SER 31 6.080 4.939 1.125
252 1HB SER 31 2HB SER 31 4.811 6.430 3.070
253 2HB SER 31 1HB SER 31 6.484 6.411 3.626
254 HG SER 31 HG SER 31 5.811 8.122 2.078
255 HA PRO 32 HA PRO 32 9.874 3.261 2.553
256 1HB PRO 32 2HB PRO 32 11.225 5.864 2.760
257 2HB PRO 32 1HB PRO 32 11.553 4.516 1.668
258 1HG PRO 32 2HG PRO 32 10.445 6.817 0.809
259 2HG PRO 32 1HG PRO 32 10.039 5.246 0.094
260 1HD PRO 32 2HD PRO 32 8.492 6.897 2.052
261 2HD PRO 32 1HD PRO 32 7.908 5.938 0.676
262 H PHE 33 H PHE 33 8.359 5.645 4.430
263 HA PHE 33 HA PHE 33 10.113 5.746 6.639
264 1HB PHE 33 2HB PHE 33 7.163 5.961 7.016
265 2HB PHE 33 1HB PHE 33 8.454 6.944 7.698
266 HD1 PHE 33 1HD PHE 33 5.748 7.585 6.120
267 HD2 PHE 33 2HD PHE 33 9.896 7.648 5.173
268 HE1 PHE 33 1HE PHE 33 5.328 9.302 4.411
269 HE2 PHE 33 2HE PHE 33 9.484 9.367 3.463
270 HZ PHE 33 HZ PHE 33 7.197 10.197 3.079
271 H ALA 34 H ALA 34 8.049 3.319 5.445
272 HA ALA 34 HA ALA 34 8.289 1.822 7.970
273 1HB ALA 34 1HB ALA 34 5.950 2.566 7.234
274 2HB ALA 34 2HB ALA 34 6.174 0.872 7.674
275 3HB ALA 34 3HB ALA 34 6.104 1.341 5.975
276 H PHE 35 H PHE 35 10.309 1.762 6.088
277 HA PHE 35 HA PHE 35 10.485 -1.038 5.572
278 1HB PHE 35 2HB PHE 35 10.164 0.836 3.223
279 2HB PHE 35 1HB PHE 35 10.847 -0.780 3.083
280 HD1 PHE 35 1HD PHE 35 9.273 -2.585 4.427
281 HD2 PHE 35 2HD PHE 35 7.994 1.008 2.542
282 HE1 PHE 35 1HE PHE 35 7.009 -3.519 4.192
283 HE2 PHE 35 2HE PHE 35 5.728 0.078 2.304
284 HZ PHE 35 HZ PHE 35 5.233 -2.181 3.129
285 H SER 36 H SER 36 11.978 0.892 7.020
286 HA SER 36 HA SER 36 14.527 0.789 5.548
287 1HB SER 36 2HB SER 36 15.199 2.878 6.502
288 2HB SER 36 1HB SER 36 13.577 3.116 5.853
289 HG SER 36 HG SER 36 12.751 2.985 7.920
Start of MODEL 3
1 1H GLU 1 1HT GLU 1 -5.258 -6.608 -10.581
2 2H GLU 1 2HT GLU 1 -6.910 -6.143 -10.528
3 3H GLU 1 3HT GLU 1 -6.434 -7.697 -9.975
4 HA GLU 1 HA GLU 1 -5.705 -5.106 -8.784
5 1HB GLU 1 2HB GLU 1 -7.997 -5.600 -8.344
6 2HB GLU 1 1HB GLU 1 -7.645 -7.297 -8.047
7 1HG GLU 1 2HG GLU 1 -8.106 -5.715 -6.057
8 2HG GLU 1 1HG GLU 1 -6.803 -6.898 -5.945
9 H LEU 2 H LEU 2 -3.500 -6.185 -9.273
10 HA LEU 2 HA LEU 2 -2.819 -8.051 -7.104
11 1HB LEU 2 2HB LEU 2 -0.710 -7.773 -9.022
12 2HB LEU 2 1HB LEU 2 -1.591 -9.210 -8.543
13 HG LEU 2 HG LEU 2 -2.758 -7.302 -10.542
14 1HD1 LEU 2 1HD1 LEU 2 -0.714 -7.741 -11.574
15 2HD1 LEU 2 2HD1 LEU 2 -1.807 -8.947 -12.253
16 3HD1 LEU 2 3HD1 LEU 2 -0.668 -9.403 -10.986
17 1HD2 LEU 2 1HD2 LEU 2 -3.997 -9.252 -9.357
18 2HD2 LEU 2 2HD2 LEU 2 -3.076 -10.273 -10.461
19 3HD2 LEU 2 3HD2 LEU 2 -4.169 -9.046 -11.100
20 HA PRO 3 HA PRO 3 0.510 -4.737 -6.724
21 1HB PRO 3 2HB PRO 3 1.081 -3.054 -8.699
22 2HB PRO 3 1HB PRO 3 1.557 -4.753 -8.799
23 1HG PRO 3 2HG PRO 3 -0.685 -3.330 -10.151
24 2HG PRO 3 1HG PRO 3 0.345 -4.637 -10.757
25 1HD PRO 3 2HD PRO 3 -2.233 -4.912 -9.670
26 2HD PRO 3 1HD PRO 3 -1.077 -6.221 -9.977
27 H LYS 4 H LYS 4 -1.281 -4.014 -5.309
28 HA LYS 4 HA LYS 4 -3.049 -1.955 -5.919
29 1HB LYS 4 2HB LYS 4 -3.203 -1.599 -3.478
30 2HB LYS 4 1HB LYS 4 -3.320 -3.296 -3.930
31 1HG LYS 4 2HG LYS 4 -0.590 -2.502 -3.382
32 2HG LYS 4 1HG LYS 4 -1.664 -2.215 -2.010
33 1HD LYS 4 2HD LYS 4 -1.372 -4.375 -1.532
34 2HD LYS 4 1HD LYS 4 -2.443 -4.696 -2.896
35 1HE LYS 4 2HE LYS 4 -0.776 -5.494 -4.167
36 2HE LYS 4 1HE LYS 4 0.343 -4.230 -3.654
37 1HZ LYS 4 1HZ LYS 4 1.310 -6.064 -2.735
38 2HZ LYS 4 2HZ LYS 4 -0.155 -6.865 -2.469
39 3HZ LYS 4 3HZ LYS 4 0.315 -5.602 -1.447
40 H LEU 5 H LEU 5 -2.997 0.210 -5.816
41 HA LEU 5 HA LEU 5 -0.717 1.642 -4.781
42 1HB LEU 5 2HB LEU 5 -1.409 1.721 -7.716
43 2HB LEU 5 1HB LEU 5 -0.308 2.831 -6.920
44 HG LEU 5 HG LEU 5 0.102 -0.151 -7.083
45 1HD1 LEU 5 1HD1 LEU 5 1.244 2.100 -8.722
46 2HD1 LEU 5 2HD1 LEU 5 0.267 0.746 -9.289
47 3HD1 LEU 5 3HD1 LEU 5 1.901 0.464 -8.690
48 1HD2 LEU 5 1HD2 LEU 5 1.628 0.181 -5.512
49 2HD2 LEU 5 2HD2 LEU 5 1.288 1.911 -5.498
50 3HD2 LEU 5 3HD2 LEU 5 2.487 1.257 -6.613
51 HA PRO 6 HA PRO 6 -4.748 4.024 -5.064
52 1HB PRO 6 2HB PRO 6 -6.269 3.166 -3.112
53 2HB PRO 6 1HB PRO 6 -6.058 2.146 -4.545
54 1HG PRO 6 2HG PRO 6 -4.716 1.943 -1.869
55 2HG PRO 6 1HG PRO 6 -5.433 0.656 -2.859
56 1HD PRO 6 2HD PRO 6 -2.734 1.324 -2.822
57 2HD PRO 6 1HD PRO 6 -3.557 0.429 -4.110
58 H ASP 7 H ASP 7 -5.803 5.431 -3.274
59 HA ASP 7 HA ASP 7 -4.590 5.906 -0.820
60 1HB ASP 7 2HB ASP 7 -3.396 8.088 -1.449
61 2HB ASP 7 1HB ASP 7 -2.571 6.579 -1.827
62 H ASP 8 H ASP 8 -6.006 7.059 0.323
63 HA ASP 8 HA ASP 8 -7.275 9.408 -0.577
64 1HB ASP 8 2HB ASP 8 -9.541 8.675 -0.898
65 2HB ASP 8 1HB ASP 8 -8.512 7.719 -1.960
66 H LYS 9 H LYS 9 -5.919 9.023 1.669
67 HA LYS 9 HA LYS 9 -5.978 8.822 3.969
68 1HB LYS 9 2HB LYS 9 -8.418 10.540 3.786
69 2HB LYS 9 1HB LYS 9 -7.037 10.679 4.866
70 1HG LYS 9 2HG LYS 9 -6.093 12.150 3.514
71 2HG LYS 9 1HG LYS 9 -6.143 10.999 2.177
72 1HD LYS 9 2HD LYS 9 -8.675 11.731 2.094
73 2HD LYS 9 1HD LYS 9 -8.050 13.175 2.893
74 1HE LYS 9 2HE LYS 9 -6.754 13.778 1.078
75 2HE LYS 9 1HE LYS 9 -6.687 12.133 0.448
76 1HZ LYS 9 1HZ LYS 9 -9.285 13.488 0.548
77 2HZ LYS 9 2HZ LYS 9 -8.716 12.333 -0.548
78 3HZ LYS 9 3HZ LYS 9 -8.192 13.938 -0.662
79 H VAL 10 H VAL 10 -7.395 6.684 2.726
80 HA VAL 10 HA VAL 10 -9.108 5.931 4.943
81 HB VAL 10 HB VAL 10 -10.094 6.270 2.132
82 1HG1 VAL 10 1HG1 VAL 10 -12.092 4.873 2.840
83 2HG1 VAL 10 2HG1 VAL 10 -11.071 4.251 4.136
84 3HG1 VAL 10 3HG1 VAL 10 -10.614 3.993 2.453
85 1HG2 VAL 10 1HG2 VAL 10 -10.616 8.045 3.648
86 2HG2 VAL 10 2HG2 VAL 10 -11.206 6.906 4.858
87 3HG2 VAL 10 3HG2 VAL 10 -12.092 7.129 3.351
88 H LEU 11 H LEU 11 -8.535 4.755 1.643
89 HA LEU 11 HA LEU 11 -8.105 2.627 0.898
90 1HB LEU 11 2HB LEU 11 -5.784 1.893 2.009
91 2HB LEU 11 1HB LEU 11 -5.913 3.103 0.752
92 HG LEU 11 HG LEU 11 -6.134 4.258 3.418
93 1HD1 LEU 11 1HD1 LEU 11 -4.679 2.659 4.252
94 2HD1 LEU 11 2HD1 LEU 11 -3.606 3.969 3.759
95 3HD1 LEU 11 3HD1 LEU 11 -3.786 2.544 2.737
96 1HD2 LEU 11 1HD2 LEU 11 -5.761 5.457 1.262
97 2HD2 LEU 11 2HD2 LEU 11 -4.152 4.735 1.206
98 3HD2 LEU 11 3HD2 LEU 11 -4.580 5.833 2.518
99 H ILE 12 H ILE 12 -6.869 0.428 1.893
100 HA ILE 12 HA ILE 12 -8.433 -0.333 4.254
101 HB ILE 12 HB ILE 12 -8.366 -2.681 3.016
102 1HG1 ILE 12 2HG1 ILE 12 -9.228 -1.384 0.599
103 2HG1 ILE 12 1HG1 ILE 12 -7.562 -0.953 0.960
104 1HG2 ILE 12 1HG2 ILE 12 -10.484 -2.317 3.549
105 2HG2 ILE 12 2HG2 ILE 12 -10.666 -1.616 1.940
106 3HG2 ILE 12 3HG2 ILE 12 -10.318 -0.576 3.322
107 1HD1 ILE 12 1HD1 ILE 12 -8.269 -3.147 -0.399
108 2HD1 ILE 12 2HD1 ILE 12 -8.223 -3.799 1.239
109 3HD1 ILE 12 3HD1 ILE 12 -6.794 -3.021 0.559
110 H ARG 13 H ARG 13 -6.877 -0.585 5.749
111 HA ARG 13 HA ARG 13 -4.232 -1.340 5.306
112 1HB ARG 13 2HB ARG 13 -6.006 -1.034 7.597
113 2HB ARG 13 1HB ARG 13 -4.853 -2.340 7.828
114 1HG ARG 13 2HG ARG 13 -3.038 -0.725 7.223
115 2HG ARG 13 1HG ARG 13 -4.257 0.551 7.260
116 1HD ARG 13 2HD ARG 13 -4.627 0.291 9.557
117 2HD ARG 13 1HD ARG 13 -3.850 -1.292 9.591
118 HE ARG 13 HE ARG 13 -1.876 0.438 8.825
119 1HH1 ARG 13 1HH1 ARG 13 -4.047 0.202 11.537
120 2HH1 ARG 13 2HH1 ARG 13 -2.948 0.948 12.648
121 1HH2 ARG 13 1HH2 ARG 13 -0.421 1.421 10.278
122 2HH2 ARG 13 2HH2 ARG 13 -0.886 1.642 11.932
123 H SER 14 H SER 14 -7.112 -3.152 5.231
124 HA SER 14 HA SER 14 -6.851 -5.632 5.972
125 1HB SER 14 2HB SER 14 -7.815 -4.472 3.453
126 2HB SER 14 1HB SER 14 -7.447 -6.194 3.372
127 HG SER 14 HG SER 14 -9.586 -5.033 4.408
128 H ARG 15 H ARG 15 -5.736 -5.314 2.676
129 HA ARG 15 HA ARG 15 -3.044 -5.938 3.079
130 1HB ARG 15 2HB ARG 15 -3.173 -8.361 2.250
131 2HB ARG 15 1HB ARG 15 -3.584 -8.062 3.934
132 1HG ARG 15 2HG ARG 15 -5.448 -9.199 3.543
133 2HG ARG 15 1HG ARG 15 -5.996 -7.794 2.627
134 1HD ARG 15 2HD ARG 15 -4.677 -8.887 0.673
135 2HD ARG 15 1HD ARG 15 -4.812 -10.357 1.639
136 HE ARG 15 HE ARG 15 -7.290 -8.928 1.177
137 1HH1 ARG 15 1HH1 ARG 15 -5.142 -11.468 0.151
138 2HH1 ARG 15 2HH1 ARG 15 -6.363 -12.320 -0.735
139 1HH2 ARG 15 1HH2 ARG 15 -8.906 -10.040 0.015
140 2HH2 ARG 15 2HH2 ARG 15 -8.505 -11.509 -0.811
141 H SER 16 H SER 16 -4.743 -4.369 1.441
142 HA SER 16 HA SER 16 -3.482 -4.906 -1.084
143 1HB SER 16 2HB SER 16 -6.099 -4.687 -1.991
144 2HB SER 16 1HB SER 16 -5.118 -6.152 -1.976
145 HG SER 16 HG SER 16 -7.204 -6.308 -0.902
146 H ASN 17 H ASN 17 -3.230 -2.704 0.547
147 HA ASN 17 HA ASN 17 -4.048 -0.645 -1.281
148 1HB ASN 17 2HB ASN 17 -5.639 -1.162 1.037
149 2HB ASN 17 1HB ASN 17 -4.861 0.407 1.212
150 1HD2 ASN 17 1HD2 ASN 17 -6.248 -1.429 -1.489
151 2HD2 ASN 17 2HD2 ASN 17 -7.265 -0.155 -2.059
152 H CYS 18 H CYS 18 -2.990 1.327 -0.984
153 HA CYS 18 HA CYS 18 -0.789 1.317 0.971
154 1HB CYS 18 2HB CYS 18 -0.264 2.693 -1.579
155 2HB CYS 18 1HB CYS 18 0.792 1.667 -0.641
156 HA PRO 19 HA PRO 19 -2.636 5.145 2.261
157 1HB PRO 19 2HB PRO 19 0.144 5.739 3.136
158 2HB PRO 19 1HB PRO 19 -1.364 5.799 4.057
159 1HG PRO 19 2HG PRO 19 0.360 3.804 4.413
160 2HG PRO 19 1HG PRO 19 -1.389 3.510 4.420
161 1HD PRO 19 2HD PRO 19 0.616 2.954 2.277
162 2HD PRO 19 1HD PRO 19 -0.796 2.003 2.775
163 H LYS 20 H LYS 20 -1.715 7.574 2.286
164 HA LYS 20 HA LYS 20 -1.478 8.345 -0.427
165 1HB LYS 20 2HB LYS 20 -1.077 10.619 0.531
166 2HB LYS 20 1HB LYS 20 -2.511 9.826 1.177
167 1HG LYS 20 2HG LYS 20 -1.425 9.307 3.209
168 2HG LYS 20 1HG LYS 20 0.152 9.756 2.558
169 1HD LYS 20 2HD LYS 20 -0.539 12.081 2.422
170 2HD LYS 20 1HD LYS 20 -2.157 11.654 2.987
171 1HE LYS 20 2HE LYS 20 -0.827 10.636 5.011
172 2HE LYS 20 1HE LYS 20 0.416 11.772 4.489
173 1HZ LYS 20 1HZ LYS 20 -1.985 12.275 5.917
174 2HZ LYS 20 2HZ LYS 20 -1.934 13.201 4.505
175 3HZ LYS 20 3HZ LYS 20 -0.675 13.307 5.629
176 H GLY 21 H GLY 21 0.304 9.171 -1.567
177 1HA GLY 21 2HA GLY 21 2.526 8.822 -2.245
178 2HA GLY 21 1HA GLY 21 2.761 9.938 -0.907
179 H LYS 22 H LYS 22 2.468 6.476 -1.650
180 HA LYS 22 HA LYS 22 4.448 5.978 0.446
181 1HB LYS 22 2HB LYS 22 3.223 4.207 1.365
182 2HB LYS 22 1HB LYS 22 2.049 5.475 1.137
183 1HG LYS 22 2HG LYS 22 2.443 3.037 -0.566
184 2HG LYS 22 1HG LYS 22 1.086 3.393 0.503
185 1HD LYS 22 2HD LYS 22 0.108 4.215 -1.333
186 2HD LYS 22 1HD LYS 22 1.134 5.600 -1.063
187 1HE LYS 22 2HE LYS 22 1.081 4.450 -3.402
188 2HE LYS 22 1HE LYS 22 2.603 5.022 -2.732
189 1HZ LYS 22 1HZ LYS 22 1.712 2.248 -2.289
190 2HZ LYS 22 2HZ LYS 22 3.274 2.884 -2.216
191 3HZ LYS 22 3HZ LYS 22 2.517 2.679 -3.712
192 H VAL 23 H VAL 23 4.608 3.230 0.147
193 HA VAL 23 HA VAL 23 5.031 2.515 -2.589
194 HB VAL 23 HB VAL 23 7.599 2.110 -1.568
195 1HG1 VAL 23 1HG1 VAL 23 6.454 4.001 -3.602
196 2HG1 VAL 23 2HG1 VAL 23 7.168 2.411 -3.878
197 3HG1 VAL 23 3HG1 VAL 23 8.188 3.761 -3.376
198 1HG2 VAL 23 1HG2 VAL 23 6.936 5.026 -1.315
199 2HG2 VAL 23 2HG2 VAL 23 8.413 4.188 -0.839
200 3HG2 VAL 23 3HG2 VAL 23 6.924 3.938 0.072
201 H TRP 24 H TRP 24 4.706 0.373 -2.724
202 HA TRP 24 HA TRP 24 4.501 -1.215 -0.405
203 1HB TRP 24 2HB TRP 24 3.107 -1.872 -2.133
204 2HB TRP 24 1HB TRP 24 4.374 -1.720 -3.314
205 HD1 TRP 24 HD TRP 24 5.940 -3.840 -3.720
206 HE1 TRP 24 1HE TRP 24 5.663 -6.321 -3.118
207 HE3 TRP 24 3HE TRP 24 2.296 -3.383 -0.205
208 HZ2 TRP 24 2HZ TRP 24 4.092 -7.881 -1.376
209 HZ3 TRP 24 3HZ TRP 24 1.479 -5.422 0.904
210 HH2 TRP 24 HH TRP 24 2.345 -7.618 0.328
211 H ASN 25 H ASN 25 5.556 -3.290 -0.191
212 HA ASN 25 HA ASN 25 8.308 -3.446 -1.120
213 1HB ASN 25 2HB ASN 25 8.074 -2.121 1.135
214 2HB ASN 25 1HB ASN 25 7.865 -3.725 1.830
215 1HD2 ASN 25 1HD2 ASN 25 9.640 -4.680 2.487
216 2HD2 ASN 25 2HD2 ASN 25 11.241 -4.370 1.916
217 H GLY 26 H GLY 26 9.278 -5.510 0.166
218 1HA GLY 26 2HA GLY 26 8.472 -7.762 -0.886
219 2HA GLY 26 1HA GLY 26 8.974 -7.742 0.791
220 H PHE 27 H PHE 27 6.579 -6.309 1.778
221 HA PHE 27 HA PHE 27 4.317 -7.852 0.983
222 1HB PHE 27 2HB PHE 27 6.005 -8.812 3.146
223 2HB PHE 27 1HB PHE 27 4.340 -8.562 3.658
224 HD1 PHE 27 1HD PHE 27 6.609 -10.721 1.972
225 HD2 PHE 27 2HD PHE 27 2.498 -9.662 2.275
226 HE1 PHE 27 1HE PHE 27 5.984 -12.877 0.965
227 HE2 PHE 27 2HE PHE 27 1.866 -11.819 1.268
228 HZ PHE 27 HZ PHE 27 3.610 -13.429 0.613
229 H ASP 28 H ASP 28 4.650 -5.068 1.145
230 HA ASP 28 HA ASP 28 2.415 -4.395 2.798
231 1HB ASP 28 2HB ASP 28 5.153 -3.757 3.801
232 2HB ASP 28 1HB ASP 28 3.804 -2.681 4.154
233 H CYS 29 H CYS 29 1.466 -2.562 2.149
234 HA CYS 29 HA CYS 29 2.851 -0.945 0.130
235 1HB CYS 29 2HB CYS 29 0.201 -1.963 0.375
236 2HB CYS 29 1HB CYS 29 0.122 -0.206 0.415
237 H LYS 30 H LYS 30 4.039 0.512 1.379
238 HA LYS 30 HA LYS 30 2.539 2.668 2.535
239 1HB LYS 30 2HB LYS 30 4.468 1.624 4.526
240 2HB LYS 30 1HB LYS 30 2.976 2.517 4.764
241 1HG LYS 30 2HG LYS 30 2.876 -0.302 3.826
242 2HG LYS 30 1HG LYS 30 3.173 0.060 5.522
243 1HD LYS 30 2HD LYS 30 1.070 0.865 5.867
244 2HD LYS 30 1HD LYS 30 0.910 1.458 4.212
245 1HE LYS 30 2HE LYS 30 -0.497 -0.308 4.043
246 2HE LYS 30 1HE LYS 30 1.008 -1.165 3.711
247 1HZ LYS 30 1HZ LYS 30 -0.441 -2.260 5.377
248 2HZ LYS 30 2HZ LYS 30 -0.206 -0.942 6.412
249 3HZ LYS 30 3HZ LYS 30 1.108 -1.906 5.960
250 H SER 31 H SER 31 3.942 4.335 3.462
251 HA SER 31 HA SER 31 5.701 5.306 1.644
252 1HB SER 31 2HB SER 31 4.726 6.243 3.992
253 2HB SER 31 1HB SER 31 6.414 5.985 4.436
254 HG SER 31 HG SER 31 5.591 7.424 2.135
255 HA PRO 32 HA PRO 32 9.629 3.385 2.093
256 1HB PRO 32 2HB PRO 32 11.128 5.861 2.086
257 2HB PRO 32 1HB PRO 32 10.895 4.714 0.767
258 1HG PRO 32 2HG PRO 32 9.825 7.226 0.783
259 2HG PRO 32 1HG PRO 32 9.103 5.858 -0.083
260 1HD PRO 32 2HD PRO 32 8.354 7.028 2.572
261 2HD PRO 32 1HD PRO 32 7.305 6.454 1.257
262 H PHE 33 H PHE 33 8.681 5.668 4.424
263 HA PHE 33 HA PHE 33 10.937 5.621 6.126
264 1HB PHE 33 2HB PHE 33 8.188 5.846 7.255
265 2HB PHE 33 1HB PHE 33 9.630 6.786 7.622
266 HD1 PHE 33 1HD PHE 33 6.732 7.719 7.030
267 HD2 PHE 33 2HD PHE 33 10.256 7.419 4.663
268 HE1 PHE 33 1HE PHE 33 5.908 9.529 5.582
269 HE2 PHE 33 2HE PHE 33 9.438 9.230 3.211
270 HZ PHE 33 HZ PHE 33 7.263 10.287 3.669
271 H ALA 34 H ALA 34 8.203 3.543 5.633
272 HA ALA 34 HA ALA 34 8.492 1.933 7.958
273 1HB ALA 34 1HB ALA 34 6.807 0.595 7.046
274 2HB ALA 34 2HB ALA 34 7.227 1.044 5.393
275 3HB ALA 34 3HB ALA 34 6.447 2.218 6.453
276 H PHE 35 H PHE 35 8.257 -0.553 6.422
277 HA PHE 35 HA PHE 35 10.288 -2.053 6.767
278 1HB PHE 35 2HB PHE 35 10.055 -2.345 3.950
279 2HB PHE 35 1HB PHE 35 9.289 -3.311 5.207
280 HD1 PHE 35 1HD PHE 35 7.039 -2.565 6.092
281 HD2 PHE 35 2HD PHE 35 8.820 -0.903 2.605
282 HE1 PHE 35 1HE PHE 35 4.847 -1.702 5.386
283 HE2 PHE 35 2HE PHE 35 6.633 -0.038 1.892
284 HZ PHE 35 HZ PHE 35 4.643 -0.436 3.285
285 H SER 36 H SER 36 12.279 -1.114 7.134
286 HA SER 36 HA SER 36 13.675 -0.058 4.763
287 1HB SER 36 2HB SER 36 14.810 1.466 6.074
288 2HB SER 36 1HB SER 36 13.288 1.370 6.959
289 HG SER 36 HG SER 36 14.611 -0.504 8.024
Start of MODEL 4
1 1H GLU 1 1HT GLU 1 -2.535 -9.986 -3.197
2 2H GLU 1 2HT GLU 1 -2.852 -10.416 -4.829
3 3H GLU 1 3HT GLU 1 -3.977 -10.821 -3.598
4 HA GLU 1 HA GLU 1 -4.865 -9.012 -4.691
5 1HB GLU 1 2HB GLU 1 -3.449 -7.786 -2.335
6 2HB GLU 1 1HB GLU 1 -5.094 -7.506 -2.891
7 1HG GLU 1 2HG GLU 1 -4.119 -10.098 -1.718
8 2HG GLU 1 1HG GLU 1 -4.940 -8.833 -0.805
9 H LEU 2 H LEU 2 -4.383 -7.822 -6.411
10 HA LEU 2 HA LEU 2 -1.729 -6.707 -6.723
11 1HB LEU 2 2HB LEU 2 -4.117 -6.869 -8.541
12 2HB LEU 2 1HB LEU 2 -2.669 -5.981 -8.972
13 HG LEU 2 HG LEU 2 -1.849 -8.571 -8.165
14 1HD1 LEU 2 1HD1 LEU 2 -4.103 -9.355 -8.545
15 2HD1 LEU 2 2HD1 LEU 2 -3.040 -9.946 -9.823
16 3HD1 LEU 2 3HD1 LEU 2 -4.129 -8.593 -10.136
17 1HD2 LEU 2 1HD2 LEU 2 -2.050 -7.441 -10.949
18 2HD2 LEU 2 2HD2 LEU 2 -0.921 -8.663 -10.361
19 3HD2 LEU 2 3HD2 LEU 2 -0.794 -6.998 -9.794
20 HA PRO 3 HA PRO 3 -4.794 -2.784 -6.888
21 1HB PRO 3 2HB PRO 3 -6.375 -3.833 -4.587
22 2HB PRO 3 1HB PRO 3 -6.888 -2.804 -5.929
23 1HG PRO 3 2HG PRO 3 -7.528 -5.379 -5.892
24 2HG PRO 3 1HG PRO 3 -7.048 -4.589 -7.407
25 1HD PRO 3 2HD PRO 3 -5.503 -6.455 -5.668
26 2HD PRO 3 1HD PRO 3 -5.487 -6.275 -7.435
27 H LYS 4 H LYS 4 -2.545 -2.405 -6.065
28 HA LYS 4 HA LYS 4 -2.635 -1.643 -3.231
29 1HB LYS 4 2HB LYS 4 -1.031 -3.656 -4.292
30 2HB LYS 4 1HB LYS 4 0.048 -2.275 -4.144
31 1HG LYS 4 2HG LYS 4 0.315 -3.210 -2.086
32 2HG LYS 4 1HG LYS 4 -1.031 -2.118 -1.749
33 1HD LYS 4 2HD LYS 4 -2.289 -3.832 -1.138
34 2HD LYS 4 1HD LYS 4 -2.094 -4.560 -2.734
35 1HE LYS 4 2HE LYS 4 -0.011 -4.829 -0.595
36 2HE LYS 4 1HE LYS 4 -1.380 -5.934 -0.699
37 1HZ LYS 4 1HZ LYS 4 -0.131 -7.083 -2.115
38 2HZ LYS 4 2HZ LYS 4 0.997 -5.834 -2.290
39 3HZ LYS 4 3HZ LYS 4 -0.402 -5.848 -3.240
40 H LEU 5 H LEU 5 -3.325 0.226 -5.014
41 HA LEU 5 HA LEU 5 -1.055 2.046 -4.881
42 1HB LEU 5 2HB LEU 5 -2.621 2.091 -7.409
43 2HB LEU 5 1HB LEU 5 -0.971 2.599 -7.106
44 HG LEU 5 HG LEU 5 -1.497 -0.305 -6.868
45 1HD1 LEU 5 1HD1 LEU 5 -2.617 -0.379 -8.810
46 2HD1 LEU 5 2HD1 LEU 5 -1.022 -0.147 -9.524
47 3HD1 LEU 5 3HD1 LEU 5 -2.095 1.233 -9.295
48 1HD2 LEU 5 1HD2 LEU 5 0.662 -0.075 -8.399
49 2HD2 LEU 5 2HD2 LEU 5 0.730 0.091 -6.645
50 3HD2 LEU 5 3HD2 LEU 5 0.690 1.529 -7.666
51 HA PRO 6 HA PRO 6 -5.140 4.274 -4.343
52 1HB PRO 6 2HB PRO 6 -6.360 3.416 -2.162
53 2HB PRO 6 1HB PRO 6 -6.411 2.443 -3.638
54 1HG PRO 6 2HG PRO 6 -4.872 2.005 -1.144
55 2HG PRO 6 1HG PRO 6 -5.483 0.822 -2.310
56 1HD PRO 6 2HD PRO 6 -2.837 1.959 -2.152
57 2HD PRO 6 1HD PRO 6 -3.457 0.761 -3.293
58 H ASP 7 H ASP 7 -5.947 5.704 -2.434
59 HA ASP 7 HA ASP 7 -4.428 6.176 -0.153
60 1HB ASP 7 2HB ASP 7 -3.430 8.447 -1.116
61 2HB ASP 7 1HB ASP 7 -2.533 6.934 -1.202
62 H ASP 8 H ASP 8 -5.844 7.184 1.130
63 HA ASP 8 HA ASP 8 -7.157 9.599 0.356
64 1HB ASP 8 2HB ASP 8 -8.709 7.030 0.356
65 2HB ASP 8 1HB ASP 8 -9.499 8.545 0.784
66 H LYS 9 H LYS 9 -5.551 8.345 2.556
67 HA LYS 9 HA LYS 9 -5.317 8.597 4.791
68 1HB LYS 9 2HB LYS 9 -7.830 10.240 4.568
69 2HB LYS 9 1HB LYS 9 -6.706 10.237 5.920
70 1HG LYS 9 2HG LYS 9 -5.433 11.766 4.942
71 2HG LYS 9 1HG LYS 9 -5.329 10.809 3.463
72 1HD LYS 9 2HD LYS 9 -6.745 12.171 2.421
73 2HD LYS 9 1HD LYS 9 -7.944 11.969 3.701
74 1HE LYS 9 2HE LYS 9 -7.103 14.337 3.234
75 2HE LYS 9 1HE LYS 9 -7.129 13.797 4.912
76 1HZ LYS 9 1HZ LYS 9 -5.031 14.956 3.853
77 2HZ LYS 9 2HZ LYS 9 -4.669 13.369 3.395
78 3HZ LYS 9 3HZ LYS 9 -4.879 13.750 5.029
79 H VAL 10 H VAL 10 -7.517 6.762 3.405
80 HA VAL 10 HA VAL 10 -8.572 5.751 5.958
81 HB VAL 10 HB VAL 10 -9.991 6.062 3.325
82 1HG1 VAL 10 1HG1 VAL 10 -10.757 4.270 5.626
83 2HG1 VAL 10 2HG1 VAL 10 -10.406 3.785 3.967
84 3HG1 VAL 10 3HG1 VAL 10 -11.848 4.737 4.322
85 1HG2 VAL 10 1HG2 VAL 10 -9.947 7.616 5.585
86 2HG2 VAL 10 2HG2 VAL 10 -11.402 6.644 5.810
87 3HG2 VAL 10 3HG2 VAL 10 -11.213 7.625 4.357
88 H LEU 11 H LEU 11 -8.436 4.753 2.554
89 HA LEU 11 HA LEU 11 -8.065 2.668 1.647
90 1HB LEU 11 2HB LEU 11 -5.602 1.983 2.449
91 2HB LEU 11 1HB LEU 11 -5.920 3.250 1.285
92 HG LEU 11 HG LEU 11 -5.809 4.059 4.138
93 1HD1 LEU 11 1HD1 LEU 11 -3.954 2.443 3.890
94 2HD1 LEU 11 2HD1 LEU 11 -3.424 4.095 4.213
95 3HD1 LEU 11 3HD1 LEU 11 -3.321 3.439 2.583
96 1HD2 LEU 11 1HD2 LEU 11 -4.682 6.003 3.152
97 2HD2 LEU 11 2HD2 LEU 11 -6.243 5.697 2.393
98 3HD2 LEU 11 3HD2 LEU 11 -4.755 5.233 1.568
99 H ILE 12 H ILE 12 -6.627 0.489 2.380
100 HA ILE 12 HA ILE 12 -7.804 -0.467 4.887
101 HB ILE 12 HB ILE 12 -7.882 -2.725 3.440
102 1HG1 ILE 12 2HG1 ILE 12 -9.328 -1.339 1.411
103 2HG1 ILE 12 1HG1 ILE 12 -7.690 -0.701 1.458
104 1HG2 ILE 12 1HG2 ILE 12 -10.037 -2.696 3.990
105 2HG2 ILE 12 2HG2 ILE 12 -10.337 -1.192 3.120
106 3HG2 ILE 12 3HG2 ILE 12 -9.662 -1.148 4.748
107 1HD1 ILE 12 1HD1 ILE 12 -6.934 -2.476 0.392
108 2HD1 ILE 12 2HD1 ILE 12 -8.589 -3.074 0.266
109 3HD1 ILE 12 3HD1 ILE 12 -7.584 -3.541 1.638
110 H ARG 13 H ARG 13 -6.210 -1.178 6.144
111 HA ARG 13 HA ARG 13 -3.590 -1.683 5.210
112 1HB ARG 13 2HB ARG 13 -5.019 -1.775 7.765
113 2HB ARG 13 1HB ARG 13 -3.755 -2.988 7.632
114 1HG ARG 13 2HG ARG 13 -2.081 -1.358 7.326
115 2HG ARG 13 1HG ARG 13 -3.269 -0.090 7.024
116 1HD ARG 13 2HD ARG 13 -3.949 -1.056 9.524
117 2HD ARG 13 1HD ARG 13 -2.186 -1.069 9.535
118 HE ARG 13 HE ARG 13 -2.212 1.215 9.591
119 1HH1 ARG 13 1HH1 ARG 13 -5.339 0.078 8.562
120 2HH1 ARG 13 2HH1 ARG 13 -6.067 1.649 8.600
121 1HH2 ARG 13 1HH2 ARG 13 -3.162 3.289 9.646
122 2HH2 ARG 13 2HH2 ARG 13 -4.830 3.473 9.216
123 H SER 14 H SER 14 -6.426 -3.544 5.329
124 HA SER 14 HA SER 14 -6.063 -6.090 5.696
125 1HB SER 14 2HB SER 14 -8.017 -5.366 4.508
126 2HB SER 14 1HB SER 14 -7.053 -4.907 3.105
127 HG SER 14 HG SER 14 -7.302 -7.554 4.098
128 H ARG 15 H ARG 15 -5.420 -5.391 2.349
129 HA ARG 15 HA ARG 15 -2.691 -5.939 2.260
130 1HB ARG 15 2HB ARG 15 -3.061 -8.317 1.144
131 2HB ARG 15 1HB ARG 15 -2.809 -8.146 2.875
132 1HG ARG 15 2HG ARG 15 -5.103 -8.436 3.337
133 2HG ARG 15 1HG ARG 15 -5.546 -8.232 1.641
134 1HD ARG 15 2HD ARG 15 -3.778 -10.330 1.558
135 2HD ARG 15 1HD ARG 15 -4.635 -10.607 3.074
136 HE ARG 15 HE ARG 15 -6.323 -10.049 0.793
137 1HH1 ARG 15 1HH1 ARG 15 -4.757 -12.479 2.733
138 2HH1 ARG 15 2HH1 ARG 15 -5.829 -13.749 2.242
139 1HH2 ARG 15 1HH2 ARG 15 -7.743 -11.711 0.137
140 2HH2 ARG 15 2HH2 ARG 15 -7.529 -13.311 0.765
141 H SER 16 H SER 16 -4.637 -4.302 1.079
142 HA SER 16 HA SER 16 -3.861 -4.592 -1.682
143 1HB SER 16 2HB SER 16 -6.557 -4.250 -2.104
144 2HB SER 16 1HB SER 16 -5.684 -5.770 -2.298
145 HG SER 16 HG SER 16 -6.232 -6.274 -0.140
146 H ASN 17 H ASN 17 -3.342 -2.650 0.273
147 HA ASN 17 HA ASN 17 -4.221 -0.323 -1.157
148 1HB ASN 17 2HB ASN 17 -5.633 -1.161 1.197
149 2HB ASN 17 1HB ASN 17 -4.840 0.381 1.490
150 1HD2 ASN 17 1HD2 ASN 17 -6.585 -1.197 -1.165
151 2HD2 ASN 17 2HD2 ASN 17 -7.599 0.152 -1.531
152 H CYS 18 H CYS 18 -3.240 1.652 -0.388
153 HA CYS 18 HA CYS 18 -0.941 1.413 1.404
154 1HB CYS 18 2HB CYS 18 -0.301 2.935 -1.008
155 2HB CYS 18 1HB CYS 18 0.659 1.732 -0.170
156 HA PRO 19 HA PRO 19 -2.470 5.384 2.606
157 1HB PRO 19 2HB PRO 19 -0.172 6.525 3.565
158 2HB PRO 19 1HB PRO 19 -1.125 5.336 4.456
159 1HG PRO 19 2HG PRO 19 1.369 4.959 2.864
160 2HG PRO 19 1HG PRO 19 0.902 4.228 4.408
161 1HD PRO 19 2HD PRO 19 0.730 2.909 2.051
162 2HD PRO 19 1HD PRO 19 -0.391 2.619 3.396
163 H LYS 20 H LYS 20 -1.043 7.785 2.567
164 HA LYS 20 HA LYS 20 -1.171 8.412 -0.250
165 1HB LYS 20 2HB LYS 20 -0.826 10.733 0.514
166 2HB LYS 20 1HB LYS 20 -2.143 9.945 1.378
167 1HG LYS 20 2HG LYS 20 -0.757 9.581 3.290
168 2HG LYS 20 1HG LYS 20 0.663 10.174 2.424
169 1HD LYS 20 2HD LYS 20 -0.508 12.378 2.190
170 2HD LYS 20 1HD LYS 20 -1.766 11.756 3.260
171 1HE LYS 20 2HE LYS 20 -0.217 11.514 5.058
172 2HE LYS 20 1HE LYS 20 1.151 11.858 4.000
173 1HZ LYS 20 1HZ LYS 20 -0.872 13.922 4.082
174 2HZ LYS 20 2HZ LYS 20 0.813 14.054 4.149
175 3HZ LYS 20 3HZ LYS 20 -0.062 13.678 5.547
176 H GLY 21 H GLY 21 0.536 8.861 -1.575
177 1HA GLY 21 2HA GLY 21 2.723 8.651 -2.310
178 2HA GLY 21 1HA GLY 21 3.035 9.784 -1.001
179 H LYS 22 H LYS 22 2.477 6.331 -1.545
180 HA LYS 22 HA LYS 22 4.475 5.751 0.527
181 1HB LYS 22 2HB LYS 22 3.082 3.513 0.577
182 2HB LYS 22 1HB LYS 22 2.552 4.932 1.464
183 1HG LYS 22 2HG LYS 22 0.740 3.828 0.223
184 2HG LYS 22 1HG LYS 22 0.992 5.504 -0.249
185 1HD LYS 22 2HD LYS 22 0.605 4.001 -2.185
186 2HD LYS 22 1HD LYS 22 2.153 4.829 -2.255
187 1HE LYS 22 2HE LYS 22 2.933 2.601 -1.011
188 2HE LYS 22 1HE LYS 22 1.557 1.958 -1.890
189 1HZ LYS 22 1HZ LYS 22 3.811 3.436 -3.116
190 2HZ LYS 22 2HZ LYS 22 2.496 2.769 -3.939
191 3HZ LYS 22 3HZ LYS 22 3.602 1.758 -3.156
192 H VAL 23 H VAL 23 4.752 3.072 0.144
193 HA VAL 23 HA VAL 23 5.247 2.397 -2.581
194 HB VAL 23 HB VAL 23 7.777 1.955 -1.574
195 1HG1 VAL 23 1HG1 VAL 23 7.415 4.389 -3.169
196 2HG1 VAL 23 2HG1 VAL 23 6.617 2.949 -3.804
197 3HG1 VAL 23 3HG1 VAL 23 8.357 2.937 -3.511
198 1HG2 VAL 23 1HG2 VAL 23 8.591 3.816 -0.509
199 2HG2 VAL 23 2HG2 VAL 23 6.963 3.741 0.168
200 3HG2 VAL 23 3HG2 VAL 23 7.323 4.864 -1.144
201 H TRP 24 H TRP 24 4.809 0.294 -2.701
202 HA TRP 24 HA TRP 24 4.544 -1.318 -0.419
203 1HB TRP 24 2HB TRP 24 3.147 -1.932 -2.149
204 2HB TRP 24 1HB TRP 24 4.405 -1.733 -3.343
205 HD1 TRP 24 HD TRP 24 6.055 -3.818 -3.763
206 HE1 TRP 24 1HE TRP 24 5.731 -6.329 -3.334
207 HE3 TRP 24 3HE TRP 24 2.209 -3.550 -0.451
208 HZ2 TRP 24 2HZ TRP 24 4.052 -7.983 -1.791
209 HZ3 TRP 24 3HZ TRP 24 1.318 -5.651 0.480
210 HH2 TRP 24 HH TRP 24 2.207 -7.813 -0.181
211 H ASN 25 H ASN 25 5.529 -3.418 -0.201
212 HA ASN 25 HA ASN 25 8.337 -3.587 -0.990
213 1HB ASN 25 2HB ASN 25 7.933 -2.441 1.338
214 2HB ASN 25 1HB ASN 25 7.638 -4.089 1.880
215 1HD2 ASN 25 1HD2 ASN 25 9.368 -4.704 2.960
216 2HD2 ASN 25 2HD2 ASN 25 11.004 -4.551 2.424
217 H GLY 26 H GLY 26 9.171 -5.759 0.243
218 1HA GLY 26 2HA GLY 26 8.420 -7.917 -1.052
219 2HA GLY 26 1HA GLY 26 8.814 -8.026 0.651
220 H PHE 27 H PHE 27 6.370 -6.622 1.580
221 HA PHE 27 HA PHE 27 4.157 -8.069 0.530
222 1HB PHE 27 2HB PHE 27 5.671 -9.198 2.752
223 2HB PHE 27 1HB PHE 27 3.953 -9.025 3.097
224 HD1 PHE 27 1HD PHE 27 2.320 -9.980 1.344
225 HD2 PHE 27 2HD PHE 27 6.441 -11.021 1.556
226 HE1 PHE 27 1HE PHE 27 1.862 -12.036 0.072
227 HE2 PHE 27 2HE PHE 27 5.990 -13.079 0.283
228 HZ PHE 27 HZ PHE 27 3.699 -13.588 -0.461
229 H ASP 28 H ASP 28 4.489 -5.324 0.913
230 HA ASP 28 HA ASP 28 2.163 -4.721 2.455
231 1HB ASP 28 2HB ASP 28 4.836 -4.201 3.678
232 2HB ASP 28 1HB ASP 28 3.486 -3.124 4.013
233 H CYS 29 H CYS 29 1.339 -2.726 2.003
234 HA CYS 29 HA CYS 29 2.855 -1.106 0.080
235 1HB CYS 29 2HB CYS 29 0.284 -2.091 -0.026
236 2HB CYS 29 1HB CYS 29 0.058 -0.422 0.485
237 H LYS 30 H LYS 30 4.023 0.317 1.299
238 HA LYS 30 HA LYS 30 2.615 2.428 2.601
239 1HB LYS 30 2HB LYS 30 3.553 0.204 4.157
240 2HB LYS 30 1HB LYS 30 4.408 1.663 4.621
241 1HG LYS 30 2HG LYS 30 2.660 1.958 5.972
242 2HG LYS 30 1HG LYS 30 1.930 2.636 4.524
243 1HD LYS 30 2HD LYS 30 0.688 0.829 6.008
244 2HD LYS 30 1HD LYS 30 0.497 0.886 4.259
245 1HE LYS 30 2HE LYS 30 1.870 -0.967 3.931
246 2HE LYS 30 1HE LYS 30 2.630 -0.802 5.512
247 1HZ LYS 30 1HZ LYS 30 1.029 -1.995 6.486
248 2HZ LYS 30 2HZ LYS 30 0.659 -2.535 4.927
249 3HZ LYS 30 3HZ LYS 30 -0.216 -1.258 5.609
250 H SER 31 H SER 31 3.864 4.258 2.929
251 HA SER 31 HA SER 31 5.891 4.907 1.278
252 1HB SER 31 2HB SER 31 6.546 6.250 3.666
253 2HB SER 31 1HB SER 31 5.543 6.847 2.343
254 HG SER 31 HG SER 31 4.314 6.919 4.185
255 HA PRO 32 HA PRO 32 9.659 3.058 2.553
256 1HB PRO 32 2HB PRO 32 11.503 5.003 2.249
257 2HB PRO 32 1HB PRO 32 10.673 4.272 0.870
258 1HG PRO 32 2HG PRO 32 10.152 6.881 2.232
259 2HG PRO 32 1HG PRO 32 10.127 6.494 0.503
260 1HD PRO 32 2HD PRO 32 7.880 6.700 2.066
261 2HD PRO 32 1HD PRO 32 7.974 5.729 0.587
262 H PHE 33 H PHE 33 8.521 5.764 4.286
263 HA PHE 33 HA PHE 33 10.498 5.974 6.277
264 1HB PHE 33 2HB PHE 33 7.615 6.398 6.928
265 2HB PHE 33 1HB PHE 33 9.016 7.364 7.379
266 HD1 PHE 33 1HD PHE 33 6.129 7.557 5.648
267 HD2 PHE 33 2HD PHE 33 10.292 8.187 5.037
268 HE1 PHE 33 1HE PHE 33 5.619 9.120 3.819
269 HE2 PHE 33 2HE PHE 33 9.792 9.752 3.206
270 HZ PHE 33 HZ PHE 33 7.452 10.221 2.595
271 H ALA 34 H ALA 34 8.133 3.607 5.595
272 HA ALA 34 HA ALA 34 8.605 2.329 8.209
273 1HB ALA 34 1HB ALA 34 6.243 1.384 6.818
274 2HB ALA 34 2HB ALA 34 6.178 3.115 7.151
275 3HB ALA 34 3HB ALA 34 6.422 1.973 8.470
276 H PHE 35 H PHE 35 10.417 1.921 6.196
277 HA PHE 35 HA PHE 35 10.255 -0.924 5.879
278 1HB PHE 35 2HB PHE 35 9.957 0.874 3.481
279 2HB PHE 35 1HB PHE 35 10.624 -0.749 3.337
280 HD1 PHE 35 1HD PHE 35 7.909 0.774 2.418
281 HD2 PHE 35 2HD PHE 35 8.950 -2.244 5.231
282 HE1 PHE 35 1HE PHE 35 5.630 -0.142 2.273
283 HE2 PHE 35 2HE PHE 35 6.673 -3.168 5.089
284 HZ PHE 35 HZ PHE 35 5.010 -2.115 3.610
285 H SER 36 H SER 36 12.062 0.570 7.266
286 HA SER 36 HA SER 36 14.475 0.490 5.577
287 1HB SER 36 2HB SER 36 14.023 2.740 6.418
288 2HB SER 36 1HB SER 36 13.963 2.128 8.070
289 HG SER 36 HG SER 36 16.143 1.607 7.919
Start of MODEL 5
1 1H GLU 1 1HT GLU 1 -3.122 -10.879 -5.117
2 2H GLU 1 2HT GLU 1 -4.344 -10.044 -5.987
3 3H GLU 1 3HT GLU 1 -4.757 -10.988 -4.615
4 HA GLU 1 HA GLU 1 -4.744 -9.053 -3.598
5 1HB GLU 1 2HB GLU 1 -1.757 -9.156 -3.721
6 2HB GLU 1 1HB GLU 1 -2.808 -8.883 -2.338
7 1HG GLU 1 2HG GLU 1 -3.443 -11.444 -3.099
8 2HG GLU 1 1HG GLU 1 -1.706 -11.355 -3.393
9 H LEU 2 H LEU 2 -5.327 -8.155 -5.954
10 HA LEU 2 HA LEU 2 -3.402 -6.421 -7.137
11 1HB LEU 2 2HB LEU 2 -5.943 -7.393 -7.810
12 2HB LEU 2 1HB LEU 2 -6.126 -5.654 -7.696
13 HG LEU 2 HG LEU 2 -4.201 -7.146 -9.480
14 1HD1 LEU 2 1HD1 LEU 2 -6.884 -6.035 -9.818
15 2HD1 LEU 2 2HD1 LEU 2 -6.013 -7.226 -10.786
16 3HD1 LEU 2 3HD1 LEU 2 -5.727 -5.505 -11.039
17 1HD2 LEU 2 1HD2 LEU 2 -4.622 -4.169 -9.341
18 2HD2 LEU 2 2HD2 LEU 2 -3.412 -5.054 -10.269
19 3HD2 LEU 2 3HD2 LEU 2 -3.308 -5.001 -8.510
20 HA PRO 3 HA PRO 3 -6.259 -3.140 -4.755
21 1HB PRO 3 2HB PRO 3 -6.521 -4.905 -2.366
22 2HB PRO 3 1HB PRO 3 -7.652 -3.708 -3.012
23 1HG PRO 3 2HG PRO 3 -8.106 -6.288 -3.388
24 2HG PRO 3 1HG PRO 3 -8.387 -5.131 -4.705
25 1HD PRO 3 2HD PRO 3 -6.117 -7.035 -4.308
26 2HD PRO 3 1HD PRO 3 -6.945 -6.562 -5.806
27 H LYS 4 H LYS 4 -3.904 -2.608 -4.966
28 HA LYS 4 HA LYS 4 -2.800 -2.152 -2.334
29 1HB LYS 4 2HB LYS 4 -1.821 -4.246 -3.965
30 2HB LYS 4 1HB LYS 4 -0.617 -2.965 -4.008
31 1HG LYS 4 2HG LYS 4 0.072 -4.197 -2.199
32 2HG LYS 4 1HG LYS 4 -0.925 -2.962 -1.425
33 1HD LYS 4 2HD LYS 4 -2.061 -4.627 -0.481
34 2HD LYS 4 1HD LYS 4 -2.714 -4.979 -2.084
35 1HE LYS 4 2HE LYS 4 -1.695 -6.950 -2.052
36 2HE LYS 4 1HE LYS 4 -0.136 -6.132 -1.948
37 1HZ LYS 4 1HZ LYS 4 -1.225 -7.762 -0.054
38 2HZ LYS 4 2HZ LYS 4 -1.490 -6.211 0.569
39 3HZ LYS 4 3HZ LYS 4 0.078 -6.708 0.173
40 H LEU 5 H LEU 5 -3.970 -0.428 -4.243
41 HA LEU 5 HA LEU 5 -1.748 1.419 -4.551
42 1HB LEU 5 2HB LEU 5 -2.913 1.902 -6.925
43 2HB LEU 5 1HB LEU 5 -1.518 0.864 -6.711
44 HG LEU 5 HG LEU 5 -3.815 -0.751 -6.326
45 1HD1 LEU 5 1HD1 LEU 5 -5.333 -0.194 -7.862
46 2HD1 LEU 5 2HD1 LEU 5 -4.102 0.191 -9.067
47 3HD1 LEU 5 3HD1 LEU 5 -4.567 1.394 -7.864
48 1HD2 LEU 5 1HD2 LEU 5 -2.707 -2.126 -7.739
49 2HD2 LEU 5 2HD2 LEU 5 -1.385 -0.999 -7.438
50 3HD2 LEU 5 3HD2 LEU 5 -2.364 -0.840 -8.896
51 HA PRO 6 HA PRO 6 -5.837 3.614 -3.847
52 1HB PRO 6 2HB PRO 6 -6.717 3.092 -1.428
53 2HB PRO 6 1HB PRO 6 -6.884 1.852 -2.682
54 1HG PRO 6 2HG PRO 6 -4.913 2.040 -0.450
55 2HG PRO 6 1HG PRO 6 -5.722 0.608 -1.110
56 1HD PRO 6 2HD PRO 6 -3.130 1.540 -1.779
57 2HD PRO 6 1HD PRO 6 -4.056 0.276 -2.602
58 H ASP 7 H ASP 7 -6.394 5.300 -2.040
59 HA ASP 7 HA ASP 7 -4.546 6.107 -0.131
60 1HB ASP 7 2HB ASP 7 -3.553 8.103 -1.320
61 2HB ASP 7 1HB ASP 7 -2.935 6.536 -1.832
62 H ASP 8 H ASP 8 -5.723 7.299 1.207
63 HA ASP 8 HA ASP 8 -7.174 9.595 0.414
64 1HB ASP 8 2HB ASP 8 -8.627 7.036 0.500
65 2HB ASP 8 1HB ASP 8 -9.384 8.339 1.412
66 H LYS 9 H LYS 9 -5.259 8.663 2.430
67 HA LYS 9 HA LYS 9 -4.757 8.931 4.615
68 1HB LYS 9 2HB LYS 9 -7.073 10.675 5.131
69 2HB LYS 9 1HB LYS 9 -5.368 10.939 5.454
70 1HG LYS 9 2HG LYS 9 -5.593 10.979 2.676
71 2HG LYS 9 1HG LYS 9 -6.990 11.875 3.272
72 1HD LYS 9 2HD LYS 9 -4.204 12.393 4.273
73 2HD LYS 9 1HD LYS 9 -4.858 13.200 2.846
74 1HE LYS 9 2HE LYS 9 -5.805 14.701 4.177
75 2HE LYS 9 1HE LYS 9 -6.817 13.423 4.847
76 1HZ LYS 9 1HZ LYS 9 -4.365 13.176 6.086
77 2HZ LYS 9 2HZ LYS 9 -5.797 13.765 6.767
78 3HZ LYS 9 3HZ LYS 9 -4.690 14.837 6.070
79 H VAL 10 H VAL 10 -6.989 7.017 3.722
80 HA VAL 10 HA VAL 10 -7.974 6.426 6.433
81 HB VAL 10 HB VAL 10 -9.506 6.350 3.841
82 1HG1 VAL 10 1HG1 VAL 10 -11.340 5.273 5.197
83 2HG1 VAL 10 2HG1 VAL 10 -10.118 4.923 6.420
84 3HG1 VAL 10 3HG1 VAL 10 -9.972 4.232 4.804
85 1HG2 VAL 10 1HG2 VAL 10 -9.479 8.025 6.203
86 2HG2 VAL 10 2HG2 VAL 10 -11.084 7.369 5.878
87 3HG2 VAL 10 3HG2 VAL 10 -10.243 8.295 4.636
88 H LEU 11 H LEU 11 -8.260 4.858 3.285
89 HA LEU 11 HA LEU 11 -8.023 2.639 2.720
90 1HB LEU 11 2HB LEU 11 -5.566 2.032 2.773
91 2HB LEU 11 1HB LEU 11 -5.991 3.515 1.948
92 HG LEU 11 HG LEU 11 -5.361 4.101 4.683
93 1HD1 LEU 11 1HD1 LEU 11 -3.608 2.152 3.328
94 2HD1 LEU 11 2HD1 LEU 11 -3.894 2.424 5.048
95 3HD1 LEU 11 3HD1 LEU 11 -2.824 3.501 4.151
96 1HD2 LEU 11 1HD2 LEU 11 -3.855 5.659 3.696
97 2HD2 LEU 11 2HD2 LEU 11 -5.306 5.609 2.695
98 3HD2 LEU 11 3HD2 LEU 11 -3.846 4.769 2.173
99 H ILE 12 H ILE 12 -6.418 0.616 3.490
100 HA ILE 12 HA ILE 12 -7.136 0.069 6.292
101 HB ILE 12 HB ILE 12 -7.089 -2.423 5.161
102 1HG1 ILE 12 2HG1 ILE 12 -9.011 -1.121 3.347
103 2HG1 ILE 12 1HG1 ILE 12 -7.316 -0.865 2.953
104 1HG2 ILE 12 1HG2 ILE 12 -8.996 -2.557 6.261
105 2HG2 ILE 12 2HG2 ILE 12 -9.777 -1.409 5.174
106 3HG2 ILE 12 3HG2 ILE 12 -8.868 -0.825 6.569
107 1HD1 ILE 12 1HD1 ILE 12 -8.074 -2.774 1.757
108 2HD1 ILE 12 2HD1 ILE 12 -8.744 -3.492 3.223
109 3HD1 ILE 12 3HD1 ILE 12 -6.997 -3.331 3.039
110 H ARG 13 H ARG 13 -5.824 -1.575 7.309
111 HA ARG 13 HA ARG 13 -3.079 -1.555 6.266
112 1HB ARG 13 2HB ARG 13 -4.242 -1.300 8.894
113 2HB ARG 13 1HB ARG 13 -3.142 -2.670 8.859
114 1HG ARG 13 2HG ARG 13 -1.365 -1.343 8.885
115 2HG ARG 13 1HG ARG 13 -1.987 -0.373 7.550
116 1HD ARG 13 2HD ARG 13 -3.588 0.400 9.631
117 2HD ARG 13 1HD ARG 13 -2.039 0.135 10.429
118 HE ARG 13 HE ARG 13 -2.699 2.225 8.561
119 1HH1 ARG 13 1HH1 ARG 13 -0.140 0.366 10.016
120 2HH1 ARG 13 2HH1 ARG 13 1.074 1.568 9.728
121 1HH2 ARG 13 1HH2 ARG 13 -1.110 3.816 8.175
122 2HH2 ARG 13 2HH2 ARG 13 0.522 3.530 8.680
123 H SER 14 H SER 14 -5.804 -3.512 6.680
124 HA SER 14 HA SER 14 -5.188 -5.998 7.288
125 1HB SER 14 2HB SER 14 -7.014 -4.814 5.440
126 2HB SER 14 1HB SER 14 -6.374 -6.297 4.736
127 HG SER 14 HG SER 14 -6.998 -7.380 6.656
128 H ARG 15 H ARG 15 -4.984 -5.450 3.837
129 HA ARG 15 HA ARG 15 -2.256 -5.870 3.486
130 1HB ARG 15 2HB ARG 15 -2.182 -8.223 2.770
131 2HB ARG 15 1HB ARG 15 -2.616 -8.077 4.467
132 1HG ARG 15 2HG ARG 15 -4.682 -8.923 4.153
133 2HG ARG 15 1HG ARG 15 -4.864 -8.177 2.565
134 1HD ARG 15 2HD ARG 15 -2.801 -10.243 2.666
135 2HD ARG 15 1HD ARG 15 -4.416 -10.840 3.040
136 HE ARG 15 HE ARG 15 -3.450 -10.180 0.492
137 1HH1 ARG 15 1HH1 ARG 15 -6.276 -9.737 2.478
138 2HH1 ARG 15 2HH1 ARG 15 -7.365 -9.634 1.134
139 1HH2 ARG 15 1HH2 ARG 15 -4.873 -10.048 -1.287
140 2HH2 ARG 15 2HH2 ARG 15 -6.566 -9.812 -1.007
141 H SER 16 H SER 16 -4.406 -4.392 2.427
142 HA SER 16 HA SER 16 -3.891 -4.830 -0.383
143 1HB SER 16 2HB SER 16 -6.730 -4.582 -0.248
144 2HB SER 16 1HB SER 16 -5.776 -5.896 -0.935
145 HG SER 16 HG SER 16 -7.283 -6.407 0.861
146 H ASN 17 H ASN 17 -3.249 -2.705 1.324
147 HA ASN 17 HA ASN 17 -4.401 -0.559 -0.187
148 1HB ASN 17 2HB ASN 17 -5.478 -1.229 2.399
149 2HB ASN 17 1HB ASN 17 -4.769 0.380 2.423
150 1HD2 ASN 17 1HD2 ASN 17 -6.830 -1.647 0.371
151 2HD2 ASN 17 2HD2 ASN 17 -7.926 -0.388 -0.071
152 H CYS 18 H CYS 18 -3.292 1.394 0.020
153 HA CYS 18 HA CYS 18 -0.859 1.402 1.652
154 1HB CYS 18 2HB CYS 18 -0.480 2.655 -0.957
155 2HB CYS 18 1HB CYS 18 0.545 1.525 -0.100
156 HA PRO 19 HA PRO 19 -2.192 5.495 2.645
157 1HB PRO 19 2HB PRO 19 0.633 6.259 2.938
158 2HB PRO 19 1HB PRO 19 -0.648 6.208 4.153
159 1HG PRO 19 2HG PRO 19 1.339 4.414 4.149
160 2HG PRO 19 1HG PRO 19 -0.316 3.962 4.601
161 1HD PRO 19 2HD PRO 19 1.119 3.547 2.002
162 2HD PRO 19 1HD PRO 19 0.091 2.416 2.905
163 H LYS 20 H LYS 20 -0.613 7.799 2.311
164 HA LYS 20 HA LYS 20 -1.120 8.351 -0.485
165 1HB LYS 20 2HB LYS 20 -0.583 10.688 0.157
166 2HB LYS 20 1HB LYS 20 -1.846 9.975 1.154
167 1HG LYS 20 2HG LYS 20 0.252 9.366 2.675
168 2HG LYS 20 1HG LYS 20 0.903 10.794 1.872
169 1HD LYS 20 2HD LYS 20 -0.364 12.160 3.103
170 2HD LYS 20 1HD LYS 20 -1.820 11.226 2.755
171 1HE LYS 20 2HE LYS 20 -1.476 11.212 5.123
172 2HE LYS 20 1HE LYS 20 -1.115 9.600 4.508
173 1HZ LYS 20 1HZ LYS 20 1.201 10.016 4.685
174 2HZ LYS 20 2HZ LYS 20 0.508 10.482 6.156
175 3HZ LYS 20 3HZ LYS 20 0.959 11.656 5.025
176 H GLY 21 H GLY 21 0.394 8.766 -2.044
177 1HA GLY 21 2HA GLY 21 2.453 8.398 -3.061
178 2HA GLY 21 1HA GLY 21 2.934 9.654 -1.927
179 H LYS 22 H LYS 22 1.893 6.395 -1.156
180 HA LYS 22 HA LYS 22 4.235 5.961 0.453
181 1HB LYS 22 2HB LYS 22 3.043 4.270 1.418
182 2HB LYS 22 1HB LYS 22 1.731 5.267 0.822
183 1HG LYS 22 2HG LYS 22 2.745 2.665 -0.227
184 2HG LYS 22 1HG LYS 22 1.118 3.142 0.238
185 1HD LYS 22 2HD LYS 22 0.635 3.810 -1.837
186 2HD LYS 22 1HD LYS 22 2.086 4.795 -1.914
187 1HE LYS 22 2HE LYS 22 1.914 2.992 -3.649
188 2HE LYS 22 1HE LYS 22 3.395 3.002 -2.698
189 1HZ LYS 22 1HZ LYS 22 2.896 0.820 -2.548
190 2HZ LYS 22 2HZ LYS 22 1.235 1.051 -2.748
191 3HZ LYS 22 3HZ LYS 22 1.955 1.342 -1.247
192 H VAL 23 H VAL 23 4.503 3.201 0.188
193 HA VAL 23 HA VAL 23 5.166 2.541 -2.523
194 HB VAL 23 HB VAL 23 7.599 2.110 -1.675
195 1HG1 VAL 23 1HG1 VAL 23 8.032 3.588 -3.283
196 2HG1 VAL 23 2HG1 VAL 23 7.481 4.916 -2.261
197 3HG1 VAL 23 3HG1 VAL 23 6.325 4.029 -3.255
198 1HG2 VAL 23 1HG2 VAL 23 8.233 3.089 0.211
199 2HG2 VAL 23 2HG2 VAL 23 6.550 3.527 0.496
200 3HG2 VAL 23 3HG2 VAL 23 7.621 4.646 -0.347
201 H TRP 24 H TRP 24 4.696 0.424 -2.676
202 HA TRP 24 HA TRP 24 4.409 -1.216 -0.400
203 1HB TRP 24 2HB TRP 24 2.996 -1.807 -2.124
204 2HB TRP 24 1HB TRP 24 4.239 -1.592 -3.329
205 HD1 TRP 24 HD TRP 24 5.753 -3.693 -3.920
206 HE1 TRP 24 1HE TRP 24 5.475 -6.203 -3.469
207 HE3 TRP 24 3HE TRP 24 2.259 -3.431 -0.249
208 HZ2 TRP 24 2HZ TRP 24 3.962 -7.861 -1.769
209 HZ3 TRP 24 3HZ TRP 24 1.462 -5.533 0.763
210 HH2 TRP 24 HH TRP 24 2.285 -7.694 0.016
211 H ASN 25 H ASN 25 5.419 -3.387 -0.344
212 HA ASN 25 HA ASN 25 8.216 -3.479 -1.147
213 1HB ASN 25 2HB ASN 25 8.845 -2.612 0.853
214 2HB ASN 25 1HB ASN 25 7.274 -2.908 1.583
215 1HD2 ASN 25 1HD2 ASN 25 10.496 -3.838 1.441
216 2HD2 ASN 25 2HD2 ASN 25 10.385 -5.285 2.378
217 H GLY 26 H GLY 26 9.155 -5.663 -0.196
218 1HA GLY 26 2HA GLY 26 8.263 -7.802 -1.420
219 2HA GLY 26 1HA GLY 26 8.864 -7.945 0.219
220 H PHE 27 H PHE 27 6.552 -6.545 1.432
221 HA PHE 27 HA PHE 27 4.219 -7.995 0.678
222 1HB PHE 27 2HB PHE 27 5.985 -9.063 2.764
223 2HB PHE 27 1HB PHE 27 4.295 -8.930 3.238
224 HD1 PHE 27 1HD PHE 27 2.592 -9.841 1.428
225 HD2 PHE 27 2HD PHE 27 6.677 -10.994 1.746
226 HE1 PHE 27 1HE PHE 27 2.092 -11.927 0.226
227 HE2 PHE 27 2HE PHE 27 6.183 -13.083 0.543
228 HZ PHE 27 HZ PHE 27 3.889 -13.552 -0.218
229 H ASP 28 H ASP 28 4.551 -5.256 0.925
230 HA ASP 28 HA ASP 28 2.483 -4.636 2.796
231 1HB ASP 28 2HB ASP 28 5.302 -4.118 3.596
232 2HB ASP 28 1HB ASP 28 4.056 -2.961 4.053
233 H CYS 29 H CYS 29 1.561 -2.675 2.413
234 HA CYS 29 HA CYS 29 2.763 -1.069 0.263
235 1HB CYS 29 2HB CYS 29 0.156 -2.085 0.684
236 2HB CYS 29 1HB CYS 29 0.065 -0.340 0.877
237 H LYS 30 H LYS 30 4.066 0.385 1.438
238 HA LYS 30 HA LYS 30 2.659 2.468 2.804
239 1HB LYS 30 2HB LYS 30 3.613 0.277 4.312
240 2HB LYS 30 1HB LYS 30 4.614 1.666 4.707
241 1HG LYS 30 2HG LYS 30 3.006 2.145 6.159
242 2HG LYS 30 1HG LYS 30 2.172 2.789 4.748
243 1HD LYS 30 2HD LYS 30 0.895 1.198 6.328
244 2HD LYS 30 1HD LYS 30 0.755 0.957 4.590
245 1HE LYS 30 2HE LYS 30 1.805 -1.037 4.658
246 2HE LYS 30 1HE LYS 30 2.966 -0.496 5.871
247 1HZ LYS 30 1HZ LYS 30 0.190 -0.882 6.712
248 2HZ LYS 30 2HZ LYS 30 1.623 -1.130 7.575
249 3HZ LYS 30 3HZ LYS 30 1.123 -2.265 6.425
250 H SER 31 H SER 31 3.857 4.329 3.179
251 HA SER 31 HA SER 31 5.778 5.065 1.401
252 1HB SER 31 2HB SER 31 4.700 6.149 3.862
253 2HB SER 31 1HB SER 31 6.399 6.578 3.660
254 HG SER 31 HG SER 31 5.894 7.817 2.029
255 HA PRO 32 HA PRO 32 9.778 3.696 2.576
256 1HB PRO 32 2HB PRO 32 10.903 6.389 2.770
257 2HB PRO 32 1HB PRO 32 11.211 5.138 1.563
258 1HG PRO 32 2HG PRO 32 9.841 7.395 0.993
259 2HG PRO 32 1HG PRO 32 9.499 5.846 0.201
260 1HD PRO 32 2HD PRO 32 8.036 7.195 2.441
261 2HD PRO 32 1HD PRO 32 7.388 6.322 1.035
262 H PHE 33 H PHE 33 8.060 5.675 4.660
263 HA PHE 33 HA PHE 33 9.942 6.076 6.734
264 1HB PHE 33 2HB PHE 33 7.048 5.665 7.348
265 2HB PHE 33 1HB PHE 33 8.166 6.870 7.981
266 HD1 PHE 33 1HD PHE 33 5.299 7.233 6.873
267 HD2 PHE 33 2HD PHE 33 9.171 7.714 5.171
268 HE1 PHE 33 1HE PHE 33 4.394 8.887 5.292
269 HE2 PHE 33 2HE PHE 33 8.272 9.369 3.587
270 HZ PHE 33 HZ PHE 33 5.881 9.957 3.646
271 H ALA 34 H ALA 34 8.088 3.420 5.626
272 HA ALA 34 HA ALA 34 8.480 1.818 8.028
273 1HB ALA 34 1HB ALA 34 7.296 0.933 5.413
274 2HB ALA 34 2HB ALA 34 6.368 1.796 6.639
275 3HB ALA 34 3HB ALA 34 7.069 0.222 7.013
276 H PHE 35 H PHE 35 8.666 -0.594 6.385
277 HA PHE 35 HA PHE 35 10.986 -1.664 6.585
278 1HB PHE 35 2HB PHE 35 10.623 -1.906 3.769
279 2HB PHE 35 1HB PHE 35 10.191 -3.059 5.025
280 HD1 PHE 35 1HD PHE 35 8.990 -0.689 2.609
281 HD2 PHE 35 2HD PHE 35 7.918 -2.898 6.085
282 HE1 PHE 35 1HE PHE 35 6.611 -0.326 2.103
283 HE2 PHE 35 2HE PHE 35 5.537 -2.540 5.584
284 HZ PHE 35 HZ PHE 35 4.881 -1.252 3.590
285 H SER 36 H SER 36 12.668 -0.166 6.932
286 HA SER 36 HA SER 36 13.544 1.762 5.111
287 1HB SER 36 2HB SER 36 14.244 1.296 7.596
288 2HB SER 36 1HB SER 36 15.501 0.306 6.856
289 HG SER 36 HG SER 36 16.299 2.099 5.830
Start of MODEL 6
1 1H GLU 1 1HT GLU 1 0.572 -11.614 -5.675
2 2H GLU 1 2HT GLU 1 -0.099 -12.606 -6.905
3 3H GLU 1 3HT GLU 1 -0.439 -12.932 -5.254
4 HA GLU 1 HA GLU 1 -2.261 -11.871 -6.426
5 1HB GLU 1 2HB GLU 1 -2.580 -10.119 -4.670
6 2HB GLU 1 1HB GLU 1 -2.100 -11.686 -4.034
7 1HG GLU 1 2HG GLU 1 -0.193 -10.892 -3.188
8 2HG GLU 1 1HG GLU 1 0.148 -9.921 -4.621
9 H LEU 2 H LEU 2 -2.897 -9.267 -6.366
10 HA LEU 2 HA LEU 2 -1.155 -8.108 -8.436
11 1HB LEU 2 2HB LEU 2 -3.444 -8.613 -9.154
12 2HB LEU 2 1HB LEU 2 -4.077 -7.605 -7.868
13 HG LEU 2 HG LEU 2 -3.033 -5.631 -8.909
14 1HD1 LEU 2 1HD1 LEU 2 -1.286 -7.198 -10.075
15 2HD1 LEU 2 2HD1 LEU 2 -1.782 -5.682 -10.827
16 3HD1 LEU 2 3HD1 LEU 2 -2.479 -7.207 -11.374
17 1HD2 LEU 2 1HD2 LEU 2 -5.195 -7.203 -9.977
18 2HD2 LEU 2 2HD2 LEU 2 -4.420 -6.258 -11.248
19 3HD2 LEU 2 3HD2 LEU 2 -5.053 -5.453 -9.813
20 HA PRO 3 HA PRO 3 0.050 -5.222 -5.195
21 1HB PRO 3 2HB PRO 3 1.150 -3.873 -7.614
22 2HB PRO 3 1HB PRO 3 1.938 -4.241 -6.075
23 1HG PRO 3 2HG PRO 3 2.470 -5.685 -8.244
24 2HG PRO 3 1HG PRO 3 2.325 -6.456 -6.654
25 1HD PRO 3 2HD PRO 3 0.386 -6.416 -8.927
26 2HD PRO 3 1HD PRO 3 0.753 -7.718 -7.778
27 H LYS 4 H LYS 4 -1.357 -3.789 -4.429
28 HA LYS 4 HA LYS 4 -3.251 -2.463 -6.125
29 1HB LYS 4 2HB LYS 4 -3.579 -1.199 -3.760
30 2HB LYS 4 1HB LYS 4 -4.312 -2.747 -4.147
31 1HG LYS 4 2HG LYS 4 -1.610 -2.676 -2.890
32 2HG LYS 4 1HG LYS 4 -3.048 -2.410 -1.900
33 1HD LYS 4 2HD LYS 4 -3.644 -4.570 -1.988
34 2HD LYS 4 1HD LYS 4 -3.291 -4.687 -3.712
35 1HE LYS 4 2HE LYS 4 -1.883 -5.949 -1.778
36 2HE LYS 4 1HE LYS 4 -1.236 -5.525 -3.361
37 1HZ LYS 4 1HZ LYS 4 -0.019 -3.814 -2.508
38 2HZ LYS 4 2HZ LYS 4 0.000 -4.854 -1.175
39 3HZ LYS 4 3HZ LYS 4 -1.068 -3.543 -1.207
40 H LEU 5 H LEU 5 -3.608 0.026 -5.456
41 HA LEU 5 HA LEU 5 -1.235 1.568 -5.143
42 1HB LEU 5 2HB LEU 5 -2.081 2.541 -7.634
43 2HB LEU 5 1HB LEU 5 -0.558 1.767 -7.246
44 HG LEU 5 HG LEU 5 -2.555 -0.254 -7.682
45 1HD1 LEU 5 1HD1 LEU 5 -3.722 0.434 -9.431
46 2HD1 LEU 5 2HD1 LEU 5 -2.243 0.862 -10.292
47 3HD1 LEU 5 3HD1 LEU 5 -3.021 2.042 -9.234
48 1HD2 LEU 5 1HD2 LEU 5 -0.599 -0.018 -9.765
49 2HD2 LEU 5 2HD2 LEU 5 -0.744 -1.241 -8.502
50 3HD2 LEU 5 3HD2 LEU 5 0.156 0.244 -8.192
51 HA PRO 6 HA PRO 6 -5.169 3.938 -4.509
52 1HB PRO 6 2HB PRO 6 -5.956 3.153 -2.078
53 2HB PRO 6 1HB PRO 6 -6.294 2.169 -3.506
54 1HG PRO 6 2HG PRO 6 -4.410 1.671 -1.305
55 2HG PRO 6 1HG PRO 6 -5.089 0.535 -2.480
56 1HD PRO 6 2HD PRO 6 -2.515 1.908 -2.531
57 2HD PRO 6 1HD PRO 6 -3.096 0.586 -3.558
58 H ASP 7 H ASP 7 -5.747 5.013 -2.051
59 HA ASP 7 HA ASP 7 -3.612 5.784 -0.447
60 1HB ASP 7 2HB ASP 7 -3.479 8.223 -1.333
61 2HB ASP 7 1HB ASP 7 -2.528 6.965 -2.117
62 H ASP 8 H ASP 8 -6.141 7.774 -1.978
63 HA ASP 8 HA ASP 8 -7.371 8.046 0.686
64 1HB ASP 8 2HB ASP 8 -6.735 10.099 -1.384
65 2HB ASP 8 1HB ASP 8 -8.172 10.327 -0.392
66 H LYS 9 H LYS 9 -8.310 6.000 -0.688
67 HA LYS 9 HA LYS 9 -10.951 6.924 -1.557
68 1HB LYS 9 2HB LYS 9 -10.077 4.575 -3.039
69 2HB LYS 9 1HB LYS 9 -10.829 6.052 -3.623
70 1HG LYS 9 2HG LYS 9 -8.731 7.157 -3.783
71 2HG LYS 9 1HG LYS 9 -7.911 5.846 -2.931
72 1HD LYS 9 2HD LYS 9 -7.609 4.722 -4.827
73 2HD LYS 9 1HD LYS 9 -9.325 4.833 -5.225
74 1HE LYS 9 2HE LYS 9 -7.536 7.195 -5.623
75 2HE LYS 9 1HE LYS 9 -7.550 5.892 -6.811
76 1HZ LYS 9 1HZ LYS 9 -9.819 7.611 -5.984
77 2HZ LYS 9 2HZ LYS 9 -10.020 6.203 -6.900
78 3HZ LYS 9 3HZ LYS 9 -9.114 7.491 -7.519
79 H VAL 10 H VAL 10 -9.145 3.897 -1.167
80 HA VAL 10 HA VAL 10 -11.231 2.953 0.684
81 HB VAL 10 HB VAL 10 -9.772 1.322 -1.392
82 1HG1 VAL 10 1HG1 VAL 10 -11.831 -0.209 -0.413
83 2HG1 VAL 10 2HG1 VAL 10 -11.210 0.590 1.030
84 3HG1 VAL 10 3HG1 VAL 10 -10.129 -0.369 0.020
85 1HG2 VAL 10 1HG2 VAL 10 -11.414 1.931 -2.764
86 2HG2 VAL 10 2HG2 VAL 10 -12.235 2.807 -1.473
87 3HG2 VAL 10 3HG2 VAL 10 -12.543 1.087 -1.705
88 H LEU 11 H LEU 11 -8.154 3.916 0.450
89 HA LEU 11 HA LEU 11 -6.234 2.422 1.294
90 1HB LEU 11 2HB LEU 11 -5.947 4.114 3.327
91 2HB LEU 11 1HB LEU 11 -5.650 4.570 1.661
92 HG LEU 11 HG LEU 11 -7.783 5.661 1.500
93 1HD1 LEU 11 1HD1 LEU 11 -8.302 4.565 4.257
94 2HD1 LEU 11 2HD1 LEU 11 -9.151 4.149 2.769
95 3HD1 LEU 11 3HD1 LEU 11 -9.306 5.769 3.449
96 1HD2 LEU 11 1HD2 LEU 11 -7.366 6.911 3.991
97 2HD2 LEU 11 2HD2 LEU 11 -6.799 7.432 2.404
98 3HD2 LEU 11 3HD2 LEU 11 -5.784 6.395 3.406
99 H ILE 12 H ILE 12 -6.262 0.543 2.301
100 HA ILE 12 HA ILE 12 -7.531 0.384 4.947
101 HB ILE 12 HB ILE 12 -7.435 -2.224 4.160
102 1HG1 ILE 12 2HG1 ILE 12 -8.937 -1.677 1.889
103 2HG1 ILE 12 1HG1 ILE 12 -7.532 -0.637 1.717
104 1HG2 ILE 12 1HG2 ILE 12 -9.820 -0.458 3.734
105 2HG2 ILE 12 2HG2 ILE 12 -9.234 -0.953 5.323
106 3HG2 ILE 12 3HG2 ILE 12 -9.794 -2.166 4.172
107 1HD1 ILE 12 1HD1 ILE 12 -6.141 -2.702 2.217
108 2HD1 ILE 12 2HD1 ILE 12 -6.955 -2.630 0.653
109 3HD1 ILE 12 3HD1 ILE 12 -7.624 -3.618 1.952
110 H ARG 13 H ARG 13 -5.806 0.499 6.301
111 HA ARG 13 HA ARG 13 -3.211 -0.301 5.856
112 1HB ARG 13 2HB ARG 13 -4.549 0.692 8.004
113 2HB ARG 13 1HB ARG 13 -4.266 -0.955 8.544
114 1HG ARG 13 2HG ARG 13 -1.942 -0.709 8.462
115 2HG ARG 13 1HG ARG 13 -2.044 0.748 7.473
116 1HD ARG 13 2HD ARG 13 -2.095 2.027 9.288
117 2HD ARG 13 1HD ARG 13 -3.492 1.147 9.909
118 HE ARG 13 HE ARG 13 -1.218 -0.396 10.396
119 1HH1 ARG 13 1HH1 ARG 13 -2.596 2.648 11.381
120 2HH1 ARG 13 2HH1 ARG 13 -1.854 2.626 12.946
121 1HH2 ARG 13 1HH2 ARG 13 -0.235 -0.434 12.456
122 2HH2 ARG 13 2HH2 ARG 13 -0.514 0.874 13.557
123 H SER 14 H SER 14 -6.044 -2.145 6.441
124 HA SER 14 HA SER 14 -5.812 -4.490 7.350
125 1HB SER 14 2HB SER 14 -7.546 -4.178 5.761
126 2HB SER 14 1HB SER 14 -6.392 -4.004 4.439
127 HG SER 14 HG SER 14 -6.805 -6.060 4.189
128 H ARG 15 H ARG 15 -4.663 -4.768 4.083
129 HA ARG 15 HA ARG 15 -1.972 -5.289 4.568
130 1HB ARG 15 2HB ARG 15 -2.127 -7.855 4.242
131 2HB ARG 15 1HB ARG 15 -2.401 -7.190 5.847
132 1HG ARG 15 2HG ARG 15 -4.321 -8.281 5.894
133 2HG ARG 15 1HG ARG 15 -4.905 -7.207 4.623
134 1HD ARG 15 2HD ARG 15 -3.572 -8.904 3.090
135 2HD ARG 15 1HD ARG 15 -3.880 -9.990 4.444
136 HE ARG 15 HE ARG 15 -6.227 -8.599 3.569
137 1HH1 ARG 15 1HH1 ARG 15 -4.171 -11.347 2.974
138 2HH1 ARG 15 2HH1 ARG 15 -5.419 -12.281 2.216
139 1HH2 ARG 15 1HH2 ARG 15 -7.877 -9.818 2.574
140 2HH2 ARG 15 2HH2 ARG 15 -7.526 -11.410 1.986
141 H SER 16 H SER 16 -3.697 -4.121 2.660
142 HA SER 16 HA SER 16 -2.429 -5.042 0.281
143 1HB SER 16 2HB SER 16 -5.391 -5.352 0.064
144 2HB SER 16 1HB SER 16 -4.109 -6.134 -0.861
145 HG SER 16 HG SER 16 -4.872 -6.686 1.816
146 H ASN 17 H ASN 17 -2.458 -2.557 1.418
147 HA ASN 17 HA ASN 17 -3.596 -1.013 -0.732
148 1HB ASN 17 2HB ASN 17 -4.966 -1.251 1.776
149 2HB ASN 17 1HB ASN 17 -4.432 0.411 1.550
150 1HD2 ASN 17 1HD2 ASN 17 -5.236 -1.802 -1.042
151 2HD2 ASN 17 2HD2 ASN 17 -6.644 -0.961 -1.579
152 H CYS 18 H CYS 18 -2.694 0.993 -0.986
153 HA CYS 18 HA CYS 18 -0.387 1.606 0.736
154 1HB CYS 18 2HB CYS 18 -0.287 2.817 -1.910
155 2HB CYS 18 1HB CYS 18 0.927 1.869 -1.084
156 HA PRO 19 HA PRO 19 -2.999 5.168 1.614
157 1HB PRO 19 2HB PRO 19 -1.296 6.228 3.474
158 2HB PRO 19 1HB PRO 19 -2.465 4.952 3.828
159 1HG PRO 19 2HG PRO 19 0.461 4.729 3.231
160 2HG PRO 19 1HG PRO 19 -0.496 3.893 4.471
161 1HD PRO 19 2HD PRO 19 0.190 2.682 2.176
162 2HD PRO 19 1HD PRO 19 -1.380 2.384 2.949
163 H LYS 20 H LYS 20 -2.765 7.467 1.385
164 HA LYS 20 HA LYS 20 -1.612 8.439 -0.821
165 1HB LYS 20 2HB LYS 20 -1.449 10.667 0.329
166 2HB LYS 20 1HB LYS 20 -3.006 9.863 0.500
167 1HG LYS 20 2HG LYS 20 -2.329 9.074 2.728
168 2HG LYS 20 1HG LYS 20 -0.810 9.954 2.554
169 1HD LYS 20 2HD LYS 20 -3.422 11.379 2.224
170 2HD LYS 20 1HD LYS 20 -2.788 11.052 3.838
171 1HE LYS 20 2HE LYS 20 -0.760 12.140 2.073
172 2HE LYS 20 1HE LYS 20 -2.155 13.208 2.208
173 1HZ LYS 20 1HZ LYS 20 -0.229 12.401 4.249
174 2HZ LYS 20 2HZ LYS 20 -1.828 12.639 4.747
175 3HZ LYS 20 3HZ LYS 20 -0.979 13.898 4.001
176 H GLY 21 H GLY 21 0.332 9.338 -1.481
177 1HA GLY 21 2HA GLY 21 2.641 9.136 -1.681
178 2HA GLY 21 1HA GLY 21 2.560 10.066 -0.192
179 H LYS 22 H LYS 22 2.591 6.749 -1.452
180 HA LYS 22 HA LYS 22 4.322 5.969 0.739
181 1HB LYS 22 2HB LYS 22 2.962 4.333 1.643
182 2HB LYS 22 1HB LYS 22 1.786 5.574 1.280
183 1HG LYS 22 2HG LYS 22 2.358 3.074 -0.282
184 2HG LYS 22 1HG LYS 22 0.900 3.467 0.633
185 1HD LYS 22 2HD LYS 22 0.060 4.310 -1.234
186 2HD LYS 22 1HD LYS 22 1.252 5.590 -1.111
187 1HE LYS 22 2HE LYS 22 2.649 3.443 -2.176
188 2HE LYS 22 1HE LYS 22 1.093 3.421 -3.006
189 1HZ LYS 22 1HZ LYS 22 3.044 5.641 -2.870
190 2HZ LYS 22 2HZ LYS 22 1.459 5.849 -3.419
191 3HZ LYS 22 3HZ LYS 22 2.511 4.812 -4.244
192 H VAL 23 H VAL 23 4.425 3.272 0.262
193 HA VAL 23 HA VAL 23 4.559 2.673 -2.513
194 HB VAL 23 HB VAL 23 7.291 2.383 -1.564
195 1HG1 VAL 23 1HG1 VAL 23 5.833 2.755 -3.966
196 2HG1 VAL 23 2HG1 VAL 23 7.537 2.347 -3.767
197 3HG1 VAL 23 3HG1 VAL 23 7.040 4.038 -3.858
198 1HG2 VAL 23 1HG2 VAL 23 6.461 5.218 -2.103
199 2HG2 VAL 23 2HG2 VAL 23 7.984 4.615 -1.448
200 3HG2 VAL 23 3HG2 VAL 23 6.522 4.572 -0.463
201 H TRP 24 H TRP 24 4.841 0.455 -2.871
202 HA TRP 24 HA TRP 24 4.406 -1.147 -0.563
203 1HB TRP 24 2HB TRP 24 3.216 -1.840 -2.431
204 2HB TRP 24 1HB TRP 24 4.606 -1.651 -3.468
205 HD1 TRP 24 HD TRP 24 6.234 -3.718 -3.738
206 HE1 TRP 24 1HE TRP 24 6.001 -6.201 -3.124
207 HE3 TRP 24 3HE TRP 24 2.326 -3.352 -0.509
208 HZ2 TRP 24 2HZ TRP 24 4.356 -7.798 -1.486
209 HZ3 TRP 24 3HZ TRP 24 1.495 -5.409 0.559
210 HH2 TRP 24 HH TRP 24 2.475 -7.578 0.078
211 H ASN 25 H ASN 25 5.537 -3.139 -0.214
212 HA ASN 25 HA ASN 25 8.396 -3.115 -0.788
213 1HB ASN 25 2HB ASN 25 7.841 -1.848 1.402
214 2HB ASN 25 1HB ASN 25 7.453 -3.435 2.057
215 1HD2 ASN 25 1HD2 ASN 25 9.034 -4.450 3.031
216 2HD2 ASN 25 2HD2 ASN 25 10.724 -4.189 2.784
217 H GLY 26 H GLY 26 9.319 -5.179 0.502
218 1HA GLY 26 2HA GLY 26 8.734 -7.434 -0.699
219 2HA GLY 26 1HA GLY 26 9.086 -7.445 1.018
220 H PHE 27 H PHE 27 6.549 -6.150 1.818
221 HA PHE 27 HA PHE 27 4.447 -7.764 0.788
222 1HB PHE 27 2HB PHE 27 4.054 -9.180 2.641
223 2HB PHE 27 1HB PHE 27 5.764 -9.333 2.252
224 HD1 PHE 27 1HD PHE 27 3.357 -8.515 4.772
225 HD2 PHE 27 2HD PHE 27 7.433 -8.049 3.641
226 HE1 PHE 27 1HE PHE 27 3.933 -7.950 7.096
227 HE2 PHE 27 2HE PHE 27 8.016 -7.484 5.965
228 HZ PHE 27 HZ PHE 27 6.265 -7.435 7.694
229 H ASP 28 H ASP 28 4.625 -4.986 1.026
230 HA ASP 28 HA ASP 28 2.237 -4.431 2.500
231 1HB ASP 28 2HB ASP 28 4.859 -3.720 3.729
232 2HB ASP 28 1HB ASP 28 3.459 -2.684 3.983
233 H CYS 29 H CYS 29 1.303 -2.525 1.902
234 HA CYS 29 HA CYS 29 2.772 -0.917 -0.052
235 1HB CYS 29 2HB CYS 29 0.119 -1.903 0.063
236 2HB CYS 29 1HB CYS 29 0.053 -0.148 0.141
237 H LYS 30 H LYS 30 3.955 0.389 1.315
238 HA LYS 30 HA LYS 30 2.609 2.679 2.366
239 1HB LYS 30 2HB LYS 30 3.198 0.466 4.109
240 2HB LYS 30 1HB LYS 30 4.066 1.902 4.620
241 1HG LYS 30 2HG LYS 30 2.211 2.485 5.669
242 2HG LYS 30 1HG LYS 30 1.582 2.889 4.075
243 1HD LYS 30 2HD LYS 30 0.202 1.360 5.670
244 2HD LYS 30 1HD LYS 30 0.290 0.983 3.955
245 1HE LYS 30 2HE LYS 30 1.468 -0.915 4.300
246 2HE LYS 30 1HE LYS 30 2.399 -0.218 5.626
247 1HZ LYS 30 1HZ LYS 30 0.236 -0.398 6.936
248 2HZ LYS 30 2HZ LYS 30 1.080 -1.830 6.629
249 3HZ LYS 30 3HZ LYS 30 -0.287 -1.443 5.714
250 H SER 31 H SER 31 4.062 4.421 2.878
251 HA SER 31 HA SER 31 6.312 4.687 1.387
252 1HB SER 31 2HB SER 31 6.752 6.016 3.917
253 2HB SER 31 1HB SER 31 6.359 6.717 2.346
254 HG SER 31 HG SER 31 4.361 6.926 2.960
255 HA PRO 32 HA PRO 32 8.912 1.373 2.984
256 1HB PRO 32 2HB PRO 32 10.850 3.075 1.471
257 2HB PRO 32 1HB PRO 32 10.655 1.317 1.463
258 1HG PRO 32 2HG PRO 32 9.704 2.799 -0.536
259 2HG PRO 32 1HG PRO 32 8.805 1.394 0.066
260 1HD PRO 32 2HD PRO 32 8.269 4.293 0.444
261 2HD PRO 32 1HD PRO 32 7.133 2.931 0.383
262 H PHE 33 H PHE 33 9.363 4.806 3.323
263 HA PHE 33 HA PHE 33 11.609 5.091 4.812
264 1HB PHE 33 2HB PHE 33 9.111 6.352 5.869
265 2HB PHE 33 1HB PHE 33 10.715 7.050 5.675
266 HD1 PHE 33 1HD PHE 33 11.195 6.292 2.819
267 HD2 PHE 33 2HD PHE 33 7.786 7.934 4.764
268 HE1 PHE 33 1HE PHE 33 10.487 7.317 0.700
269 HE2 PHE 33 2HE PHE 33 7.070 8.965 2.647
270 HZ PHE 33 HZ PHE 33 8.422 8.656 0.610
271 H ALA 34 H ALA 34 8.634 3.542 5.730
272 HA ALA 34 HA ALA 34 9.750 2.955 8.393
273 1HB ALA 34 1HB ALA 34 7.691 3.127 9.295
274 2HB ALA 34 2HB ALA 34 6.906 2.376 7.905
275 3HB ALA 34 3HB ALA 34 7.354 4.081 7.850
276 H PHE 35 H PHE 35 10.738 1.493 6.292
277 HA PHE 35 HA PHE 35 9.845 -1.173 7.016
278 1HB PHE 35 2HB PHE 35 9.625 -0.053 4.237
279 2HB PHE 35 1HB PHE 35 9.894 -1.773 4.486
280 HD1 PHE 35 1HD PHE 35 8.179 -1.907 7.070
281 HD2 PHE 35 2HD PHE 35 7.503 -0.290 3.189
282 HE1 PHE 35 1HE PHE 35 5.761 -2.237 7.357
283 HE2 PHE 35 2HE PHE 35 5.082 -0.618 3.473
284 HZ PHE 35 HZ PHE 35 4.207 -1.592 5.559
285 H SER 36 H SER 36 12.266 0.630 7.191
286 HA SER 36 HA SER 36 14.218 -1.386 6.832
287 1HB SER 36 2HB SER 36 13.685 0.201 4.524
288 2HB SER 36 1HB SER 36 15.277 0.648 5.138
289 HG SER 36 HG SER 36 15.168 -1.192 3.631
Start of MODEL 7
1 1H GLU 1 1HT GLU 1 -1.387 -10.533 -5.591
2 2H GLU 1 2HT GLU 1 -2.322 -10.994 -6.955
3 3H GLU 1 3HT GLU 1 -2.587 -11.747 -5.435
4 HA GLU 1 HA GLU 1 -4.262 -10.106 -6.035
5 1HB GLU 1 2HB GLU 1 -2.566 -9.422 -3.625
6 2HB GLU 1 1HB GLU 1 -4.286 -9.111 -3.818
7 1HG GLU 1 2HG GLU 1 -4.646 -11.040 -2.794
8 2HG GLU 1 1HG GLU 1 -4.038 -11.835 -4.246
9 H LEU 2 H LEU 2 -4.357 -8.521 -7.467
10 HA LEU 2 HA LEU 2 -2.629 -6.852 -8.532
11 1HB LEU 2 2HB LEU 2 -4.558 -5.011 -8.218
12 2HB LEU 2 1HB LEU 2 -4.643 -6.322 -9.377
13 HG LEU 2 HG LEU 2 -6.695 -5.811 -7.884
14 1HD1 LEU 2 1HD1 LEU 2 -5.730 -8.121 -9.135
15 2HD1 LEU 2 2HD1 LEU 2 -7.397 -7.738 -8.708
16 3HD1 LEU 2 3HD1 LEU 2 -6.383 -8.643 -7.583
17 1HD2 LEU 2 1HD2 LEU 2 -6.154 -7.687 -5.890
18 2HD2 LEU 2 2HD2 LEU 2 -6.389 -5.952 -5.691
19 3HD2 LEU 2 3HD2 LEU 2 -4.765 -6.602 -5.896
20 HA PRO 3 HA PRO 3 -0.554 -5.163 -4.798
21 1HB PRO 3 2HB PRO 3 0.672 -3.776 -7.156
22 2HB PRO 3 1HB PRO 3 1.450 -4.411 -5.700
23 1HG PRO 3 2HG PRO 3 1.521 -5.756 -8.016
24 2HG PRO 3 1HG PRO 3 1.397 -6.591 -6.457
25 1HD PRO 3 2HD PRO 3 -0.636 -6.245 -8.571
26 2HD PRO 3 1HD PRO 3 -0.528 -7.476 -7.298
27 H LYS 4 H LYS 4 -1.915 -3.779 -3.795
28 HA LYS 4 HA LYS 4 -3.468 -1.807 -5.003
29 1HB LYS 4 2HB LYS 4 -2.435 -1.839 -2.166
30 2HB LYS 4 1HB LYS 4 -3.782 -0.888 -2.760
31 1HG LYS 4 2HG LYS 4 -4.889 -2.634 -1.811
32 2HG LYS 4 1HG LYS 4 -4.749 -3.197 -3.471
33 1HD LYS 4 2HD LYS 4 -4.166 -4.776 -1.455
34 2HD LYS 4 1HD LYS 4 -3.214 -4.816 -2.937
35 1HE LYS 4 2HE LYS 4 -1.468 -3.556 -1.959
36 2HE LYS 4 1HE LYS 4 -2.463 -3.115 -0.573
37 1HZ LYS 4 1HZ LYS 4 -2.291 -5.927 -0.788
38 2HZ LYS 4 2HZ LYS 4 -1.798 -4.928 0.483
39 3HZ LYS 4 3HZ LYS 4 -0.734 -5.265 -0.788
40 H LEU 5 H LEU 5 -3.302 0.408 -5.158
41 HA LEU 5 HA LEU 5 -0.848 1.741 -4.423
42 1HB LEU 5 2HB LEU 5 -1.372 2.503 -7.132
43 2HB LEU 5 1HB LEU 5 0.105 1.882 -6.427
44 HG LEU 5 HG LEU 5 -1.471 -0.387 -6.767
45 1HD1 LEU 5 1HD1 LEU 5 -2.288 -0.340 -9.001
46 2HD1 LEU 5 2HD1 LEU 5 -1.646 1.281 -9.263
47 3HD1 LEU 5 3HD1 LEU 5 -2.990 1.034 -8.148
48 1HD2 LEU 5 1HD2 LEU 5 0.557 0.621 -8.740
49 2HD2 LEU 5 2HD2 LEU 5 0.197 -1.047 -8.294
50 3HD2 LEU 5 3HD2 LEU 5 0.998 0.021 -7.142
51 HA PRO 6 HA PRO 6 -4.579 4.529 -4.662
52 1HB PRO 6 2HB PRO 6 -6.079 3.927 -2.534
53 2HB PRO 6 1HB PRO 6 -6.164 2.961 -4.007
54 1HG PRO 6 2HG PRO 6 -5.002 2.273 -1.393
55 2HG PRO 6 1HG PRO 6 -5.529 1.205 -2.703
56 1HD PRO 6 2HD PRO 6 -2.850 2.153 -2.085
57 2HD PRO 6 1HD PRO 6 -3.359 0.932 -3.262
58 H ASP 7 H ASP 7 -5.495 6.041 -2.744
59 HA ASP 7 HA ASP 7 -3.976 6.473 -0.451
60 1HB ASP 7 2HB ASP 7 -2.782 8.605 -1.276
61 2HB ASP 7 1HB ASP 7 -2.062 7.045 -1.660
62 H ASP 8 H ASP 8 -5.266 8.548 -3.040
63 HA ASP 8 HA ASP 8 -6.676 10.143 -1.060
64 1HB ASP 8 2HB ASP 8 -6.175 10.433 -4.010
65 2HB ASP 8 1HB ASP 8 -7.361 11.442 -3.188
66 H LYS 9 H LYS 9 -7.333 7.366 -2.756
67 HA LYS 9 HA LYS 9 -10.227 7.879 -2.573
68 1HB LYS 9 2HB LYS 9 -10.569 6.473 -4.560
69 2HB LYS 9 1HB LYS 9 -9.586 7.884 -4.928
70 1HG LYS 9 2HG LYS 9 -7.632 6.153 -4.389
71 2HG LYS 9 1HG LYS 9 -8.870 5.018 -4.929
72 1HD LYS 9 2HD LYS 9 -7.589 5.630 -6.841
73 2HD LYS 9 1HD LYS 9 -9.149 6.443 -6.976
74 1HE LYS 9 2HE LYS 9 -8.005 8.443 -5.878
75 2HE LYS 9 1HE LYS 9 -6.488 7.612 -6.215
76 1HZ LYS 9 1HZ LYS 9 -8.317 7.836 -8.454
77 2HZ LYS 9 2HZ LYS 9 -6.639 8.042 -8.401
78 3HZ LYS 9 3HZ LYS 9 -7.662 9.298 -7.909
79 H VAL 10 H VAL 10 -7.653 6.070 -1.507
80 HA VAL 10 HA VAL 10 -9.237 4.307 -0.027
81 HB VAL 10 HB VAL 10 -7.623 2.479 -1.402
82 1HG1 VAL 10 1HG1 VAL 10 -9.473 1.543 -0.493
83 2HG1 VAL 10 2HG1 VAL 10 -10.085 1.766 -2.133
84 3HG1 VAL 10 3HG1 VAL 10 -10.489 2.933 -0.874
85 1HG2 VAL 10 1HG2 VAL 10 -7.771 4.240 -3.249
86 2HG2 VAL 10 2HG2 VAL 10 -9.473 3.794 -3.363
87 3HG2 VAL 10 3HG2 VAL 10 -8.224 2.588 -3.670
88 H LEU 11 H LEU 11 -8.141 4.264 1.755
89 HA LEU 11 HA LEU 11 -5.284 3.690 1.721
90 1HB LEU 11 2HB LEU 11 -4.842 5.442 3.404
91 2HB LEU 11 1HB LEU 11 -5.322 6.078 1.843
92 HG LEU 11 HG LEU 11 -7.296 5.745 4.086
93 1HD1 LEU 11 1HD1 LEU 11 -6.375 8.456 3.652
94 2HD1 LEU 11 2HD1 LEU 11 -5.085 7.398 4.224
95 3HD1 LEU 11 3HD1 LEU 11 -6.574 7.555 5.156
96 1HD2 LEU 11 1HD2 LEU 11 -8.290 7.728 2.751
97 2HD2 LEU 11 2HD2 LEU 11 -8.455 6.093 2.108
98 3HD2 LEU 11 3HD2 LEU 11 -7.223 7.174 1.459
99 H ILE 12 H ILE 12 -6.943 1.752 2.318
100 HA ILE 12 HA ILE 12 -7.458 1.691 5.181
101 HB ILE 12 HB ILE 12 -8.115 -0.780 4.532
102 1HG1 ILE 12 2HG1 ILE 12 -9.126 0.291 2.009
103 2HG1 ILE 12 1HG1 ILE 12 -7.382 0.099 2.037
104 1HG2 ILE 12 1HG2 ILE 12 -10.017 1.324 3.633
105 2HG2 ILE 12 2HG2 ILE 12 -9.506 1.241 5.320
106 3HG2 ILE 12 3HG2 ILE 12 -10.314 -0.138 4.574
107 1HD1 ILE 12 1HD1 ILE 12 -9.029 -2.151 3.015
108 2HD1 ILE 12 2HD1 ILE 12 -7.480 -2.161 2.172
109 3HD1 ILE 12 3HD1 ILE 12 -8.968 -1.847 1.279
110 H ARG 13 H ARG 13 -5.815 1.211 6.478
111 HA ARG 13 HA ARG 13 -3.452 -0.111 5.712
112 1HB ARG 13 2HB ARG 13 -4.624 0.933 8.152
113 2HB ARG 13 1HB ARG 13 -3.809 -0.594 8.454
114 1HG ARG 13 2HG ARG 13 -1.748 0.271 7.586
115 2HG ARG 13 1HG ARG 13 -2.544 1.766 7.084
116 1HD ARG 13 2HD ARG 13 -2.250 0.772 9.909
117 2HD ARG 13 1HD ARG 13 -1.323 2.076 9.173
118 HE ARG 13 HE ARG 13 -3.581 3.189 8.890
119 1HH1 ARG 13 1HH1 ARG 13 -2.889 1.007 11.546
120 2HH1 ARG 13 2HH1 ARG 13 -4.078 1.714 12.582
121 1HH2 ARG 13 1HH2 ARG 13 -5.137 4.096 10.265
122 2HH2 ARG 13 2HH2 ARG 13 -5.349 3.460 11.861
123 H SER 14 H SER 14 -6.552 -1.142 6.738
124 HA SER 14 HA SER 14 -6.813 -3.436 7.762
125 1HB SER 14 2HB SER 14 -7.809 -2.516 5.160
126 2HB SER 14 1HB SER 14 -7.885 -4.262 5.391
127 HG SER 14 HG SER 14 -9.522 -2.435 6.357
128 H ARG 15 H ARG 15 -6.212 -4.085 4.387
129 HA ARG 15 HA ARG 15 -3.726 -5.375 4.702
130 1HB ARG 15 2HB ARG 15 -4.267 -7.663 4.797
131 2HB ARG 15 1HB ARG 15 -5.281 -6.911 6.020
132 1HG ARG 15 2HG ARG 15 -6.381 -7.281 3.278
133 2HG ARG 15 1HG ARG 15 -6.258 -8.674 4.352
134 1HD ARG 15 2HD ARG 15 -7.679 -7.689 5.955
135 2HD ARG 15 1HD ARG 15 -7.556 -6.101 5.198
136 HE ARG 15 HE ARG 15 -9.237 -6.699 3.772
137 1HH1 ARG 15 1HH1 ARG 15 -7.908 -9.574 5.218
138 2HH1 ARG 15 2HH1 ARG 15 -9.109 -10.625 4.547
139 1HH2 ARG 15 1HH2 ARG 15 -10.827 -8.074 2.883
140 2HH2 ARG 15 2HH2 ARG 15 -10.768 -9.773 3.216
141 H SER 16 H SER 16 -5.145 -3.668 2.919
142 HA SER 16 HA SER 16 -4.248 -4.768 0.461
143 1HB SER 16 2HB SER 16 -7.110 -4.285 0.092
144 2HB SER 16 1HB SER 16 -6.100 -5.598 -0.512
145 HG SER 16 HG SER 16 -6.411 -6.707 1.361
146 H ASN 17 H ASN 17 -3.380 -2.488 1.295
147 HA ASN 17 HA ASN 17 -4.222 -0.625 -0.631
148 1HB ASN 17 2HB ASN 17 -5.783 -0.682 1.725
149 2HB ASN 17 1HB ASN 17 -4.834 0.796 1.756
150 1HD2 ASN 17 1HD2 ASN 17 -5.995 -0.878 -1.112
151 2HD2 ASN 17 2HD2 ASN 17 -7.067 0.372 -1.633
152 H CYS 18 H CYS 18 -3.288 1.585 -0.219
153 HA CYS 18 HA CYS 18 -0.912 1.542 1.488
154 1HB CYS 18 2HB CYS 18 -0.383 2.801 -1.092
155 2HB CYS 18 1HB CYS 18 0.583 1.634 -0.205
156 HA PRO 19 HA PRO 19 -2.502 5.524 2.618
157 1HB PRO 19 2HB PRO 19 0.372 6.078 3.185
158 2HB PRO 19 1HB PRO 19 -1.039 6.272 4.232
159 1HG PRO 19 2HG PRO 19 0.626 4.245 4.606
160 2HG PRO 19 1HG PRO 19 -1.126 4.004 4.747
161 1HD PRO 19 2HD PRO 19 0.707 3.295 2.494
162 2HD PRO 19 1HD PRO 19 -0.646 2.369 3.174
163 H LYS 20 H LYS 20 -0.936 7.849 2.492
164 HA LYS 20 HA LYS 20 -1.126 8.437 -0.335
165 1HB LYS 20 2HB LYS 20 -0.653 10.759 0.383
166 2HB LYS 20 1HB LYS 20 -2.003 10.046 1.257
167 1HG LYS 20 2HG LYS 20 -0.611 9.633 3.173
168 2HG LYS 20 1HG LYS 20 0.813 10.205 2.301
169 1HD LYS 20 2HD LYS 20 -0.572 12.392 2.012
170 2HD LYS 20 1HD LYS 20 -1.512 11.765 3.366
171 1HE LYS 20 2HE LYS 20 1.404 11.666 3.720
172 2HE LYS 20 1HE LYS 20 0.722 13.288 3.612
173 1HZ LYS 20 1HZ LYS 20 0.618 11.447 5.767
174 2HZ LYS 20 2HZ LYS 20 -0.945 11.892 5.300
175 3HZ LYS 20 3HZ LYS 20 0.176 13.080 5.735
176 H GLY 21 H GLY 21 0.553 8.937 -1.698
177 1HA GLY 21 2HA GLY 21 2.701 8.585 -2.511
178 2HA GLY 21 1HA GLY 21 3.096 9.728 -1.233
179 H LYS 22 H LYS 22 2.242 6.298 -1.511
180 HA LYS 22 HA LYS 22 4.265 5.684 0.514
181 1HB LYS 22 2HB LYS 22 2.883 3.393 0.296
182 2HB LYS 22 1HB LYS 22 2.388 4.712 1.350
183 1HG LYS 22 2HG LYS 22 0.517 3.879 0.063
184 2HG LYS 22 1HG LYS 22 0.896 5.542 -0.379
185 1HD LYS 22 2HD LYS 22 0.443 4.226 -2.374
186 2HD LYS 22 1HD LYS 22 2.130 4.737 -2.347
187 1HE LYS 22 2HE LYS 22 2.106 2.287 -1.032
188 2HE LYS 22 1HE LYS 22 1.011 2.083 -2.395
189 1HZ LYS 22 1HZ LYS 22 2.671 2.192 -3.857
190 2HZ LYS 22 2HZ LYS 22 3.648 1.793 -2.539
191 3HZ LYS 22 3HZ LYS 22 3.497 3.406 -3.020
192 H VAL 23 H VAL 23 4.621 3.037 0.048
193 HA VAL 23 HA VAL 23 5.331 2.450 -2.638
194 HB VAL 23 HB VAL 23 7.773 2.019 -1.583
195 1HG1 VAL 23 1HG1 VAL 23 7.294 2.973 -3.753
196 2HG1 VAL 23 2HG1 VAL 23 8.470 3.978 -2.905
197 3HG1 VAL 23 3HG1 VAL 23 6.783 4.482 -2.997
198 1HG2 VAL 23 1HG2 VAL 23 7.010 3.327 0.457
199 2HG2 VAL 23 2HG2 VAL 23 7.056 4.752 -0.582
200 3HG2 VAL 23 3HG2 VAL 23 8.529 3.826 -0.289
201 H TRP 24 H TRP 24 4.784 0.328 -2.745
202 HA TRP 24 HA TRP 24 4.541 -1.259 -0.445
203 1HB TRP 24 2HB TRP 24 3.122 -1.899 -2.157
204 2HB TRP 24 1HB TRP 24 4.382 -1.753 -3.357
205 HD1 TRP 24 HD TRP 24 5.923 -3.879 -3.796
206 HE1 TRP 24 1HE TRP 24 5.631 -6.363 -3.223
207 HE3 TRP 24 3HE TRP 24 2.319 -3.435 -0.252
208 HZ2 TRP 24 2HZ TRP 24 4.064 -7.931 -1.482
209 HZ3 TRP 24 3HZ TRP 24 1.494 -5.475 0.851
210 HH2 TRP 24 HH TRP 24 2.337 -7.672 0.242
211 H ASN 25 H ASN 25 5.556 -3.366 -0.219
212 HA ASN 25 HA ASN 25 8.339 -3.525 -1.080
213 1HB ASN 25 2HB ASN 25 8.031 -2.279 1.203
214 2HB ASN 25 1HB ASN 25 7.743 -3.896 1.837
215 1HD2 ASN 25 1HD2 ASN 25 9.480 -4.662 2.769
216 2HD2 ASN 25 2HD2 ASN 25 11.105 -4.480 2.215
217 H GLY 26 H GLY 26 9.255 -5.652 0.138
218 1HA GLY 26 2HA GLY 26 8.381 -7.852 -1.025
219 2HA GLY 26 1HA GLY 26 8.942 -7.907 0.635
220 H PHE 27 H PHE 27 6.593 -6.400 1.691
221 HA PHE 27 HA PHE 27 4.280 -7.888 0.958
222 1HB PHE 27 2HB PHE 27 5.956 -8.796 3.210
223 2HB PHE 27 1HB PHE 27 4.225 -8.725 3.521
224 HD1 PHE 27 1HD PHE 27 6.871 -10.636 2.154
225 HD2 PHE 27 2HD PHE 27 2.694 -9.902 1.814
226 HE1 PHE 27 1HE PHE 27 6.589 -12.798 1.015
227 HE2 PHE 27 2HE PHE 27 2.402 -12.064 0.677
228 HZ PHE 27 HZ PHE 27 4.353 -13.515 0.274
229 H ASP 28 H ASP 28 4.603 -5.139 1.074
230 HA ASP 28 HA ASP 28 2.483 -4.422 2.848
231 1HB ASP 28 2HB ASP 28 5.280 -3.860 3.695
232 2HB ASP 28 1HB ASP 28 4.021 -2.688 4.064
233 H CYS 29 H CYS 29 1.469 -2.691 2.067
234 HA CYS 29 HA CYS 29 2.833 -1.104 0.012
235 1HB CYS 29 2HB CYS 29 0.462 -2.370 -0.112
236 2HB CYS 29 1HB CYS 29 -0.056 -0.797 0.474
237 H LYS 30 H LYS 30 3.926 0.428 1.271
238 HA LYS 30 HA LYS 30 2.353 2.655 2.087
239 1HB LYS 30 2HB LYS 30 3.932 2.065 4.440
240 2HB LYS 30 1HB LYS 30 2.252 2.551 4.309
241 1HG LYS 30 2HG LYS 30 2.841 -0.241 3.615
242 2HG LYS 30 1HG LYS 30 3.062 0.218 5.301
243 1HD LYS 30 2HD LYS 30 0.846 0.647 5.630
244 2HD LYS 30 1HD LYS 30 0.573 1.105 3.949
245 1HE LYS 30 2HE LYS 30 0.009 -0.980 3.362
246 2HE LYS 30 1HE LYS 30 1.345 -1.687 4.268
247 1HZ LYS 30 1HZ LYS 30 -0.015 -1.320 6.308
248 2HZ LYS 30 2HZ LYS 30 -0.662 -2.454 5.232
249 3HZ LYS 30 3HZ LYS 30 -1.316 -0.896 5.311
250 H SER 31 H SER 31 3.720 4.374 3.137
251 HA SER 31 HA SER 31 5.751 5.122 1.463
252 1HB SER 31 2HB SER 31 6.234 6.078 4.177
253 2HB SER 31 1HB SER 31 5.811 6.986 2.725
254 HG SER 31 HG SER 31 4.058 7.231 3.956
255 HA PRO 32 HA PRO 32 9.432 2.988 2.485
256 1HB PRO 32 2HB PRO 32 11.329 4.929 2.526
257 2HB PRO 32 1HB PRO 32 10.576 4.358 1.032
258 1HG PRO 32 2HG PRO 32 9.954 6.797 2.656
259 2HG PRO 32 1HG PRO 32 10.085 6.628 0.895
260 1HD PRO 32 2HD PRO 32 7.700 6.684 2.177
261 2HD PRO 32 1HD PRO 32 7.965 5.741 0.698
262 H PHE 33 H PHE 33 8.487 5.638 4.487
263 HA PHE 33 HA PHE 33 10.321 5.579 6.536
264 1HB PHE 33 2HB PHE 33 7.430 5.680 7.263
265 2HB PHE 33 1HB PHE 33 8.759 6.688 7.821
266 HD1 PHE 33 1HD PHE 33 5.854 7.259 6.609
267 HD2 PHE 33 2HD PHE 33 9.851 7.558 5.178
268 HE1 PHE 33 1HE PHE 33 5.154 9.017 5.038
269 HE2 PHE 33 2HE PHE 33 9.158 9.320 3.605
270 HZ PHE 33 HZ PHE 33 6.809 10.051 3.533
271 H ALA 34 H ALA 34 7.951 3.221 5.630
272 HA ALA 34 HA ALA 34 8.524 1.664 8.064
273 1HB ALA 34 1HB ALA 34 6.105 2.221 6.705
274 2HB ALA 34 2HB ALA 34 6.349 1.237 8.148
275 3HB ALA 34 3HB ALA 34 6.421 0.493 6.551
276 H PHE 35 H PHE 35 10.502 1.687 6.165
277 HA PHE 35 HA PHE 35 10.761 -1.103 5.598
278 1HB PHE 35 2HB PHE 35 10.551 0.795 3.247
279 2HB PHE 35 1HB PHE 35 11.057 -0.889 3.151
280 HD1 PHE 35 1HD PHE 35 8.298 1.365 3.113
281 HD2 PHE 35 2HD PHE 35 9.405 -2.667 3.908
282 HE1 PHE 35 1HE PHE 35 5.950 0.674 2.854
283 HE2 PHE 35 2HE PHE 35 7.063 -3.366 3.648
284 HZ PHE 35 HZ PHE 35 5.330 -1.696 3.120
285 H SER 36 H SER 36 12.127 1.039 7.028
286 HA SER 36 HA SER 36 14.785 0.367 6.434
287 1HB SER 36 2HB SER 36 13.730 2.509 4.839
288 2HB SER 36 1HB SER 36 14.974 3.144 5.915
289 HG SER 36 HG SER 36 15.249 0.929 4.159
Start of MODEL 8
1 1H GLU 1 1HT GLU 1 -5.531 -13.529 -3.331
2 2H GLU 1 2HT GLU 1 -5.263 -13.237 -5.000
3 3H GLU 1 3HT GLU 1 -6.475 -12.361 -4.157
4 HA GLU 1 HA GLU 1 -3.768 -12.220 -3.148
5 1HB GLU 1 2HB GLU 1 -4.379 -11.757 -5.881
6 2HB GLU 1 1HB GLU 1 -4.163 -10.182 -5.128
7 1HG GLU 1 2HG GLU 1 -1.962 -10.444 -4.964
8 2HG GLU 1 1HG GLU 1 -2.117 -12.086 -4.343
9 H LEU 2 H LEU 2 -3.516 -9.547 -3.123
10 HA LEU 2 HA LEU 2 -5.990 -8.500 -1.933
11 1HB LEU 2 2HB LEU 2 -3.227 -8.456 -0.729
12 2HB LEU 2 1HB LEU 2 -4.521 -7.405 -0.184
13 HG LEU 2 HG LEU 2 -5.717 -9.863 -0.050
14 1HD1 LEU 2 1HD1 LEU 2 -2.777 -10.185 0.377
15 2HD1 LEU 2 2HD1 LEU 2 -3.917 -11.253 -0.443
16 3HD1 LEU 2 3HD1 LEU 2 -3.922 -11.142 1.317
17 1HD2 LEU 2 1HD2 LEU 2 -6.110 -8.891 1.910
18 2HD2 LEU 2 2HD2 LEU 2 -4.685 -7.864 1.750
19 3HD2 LEU 2 3HD2 LEU 2 -4.537 -9.477 2.449
20 HA PRO 3 HA PRO 3 -4.911 -5.224 -4.787
21 1HB PRO 3 2HB PRO 3 -7.030 -3.626 -4.191
22 2HB PRO 3 1HB PRO 3 -7.153 -5.042 -5.240
23 1HG PRO 3 2HG PRO 3 -7.842 -4.768 -2.339
24 2HG PRO 3 1HG PRO 3 -8.746 -5.581 -3.631
25 1HD PRO 3 2HD PRO 3 -7.220 -6.943 -1.872
26 2HD PRO 3 1HD PRO 3 -7.400 -7.460 -3.561
27 H LYS 4 H LYS 4 -3.029 -4.492 -3.718
28 HA LYS 4 HA LYS 4 -3.482 -2.364 -1.734
29 1HB LYS 4 2HB LYS 4 -1.186 -4.280 -2.093
30 2HB LYS 4 1HB LYS 4 -1.024 -2.801 -1.154
31 1HG LYS 4 2HG LYS 4 -1.752 -3.948 0.594
32 2HG LYS 4 1HG LYS 4 -3.333 -3.979 -0.186
33 1HD LYS 4 2HD LYS 4 -3.078 -6.212 0.031
34 2HD LYS 4 1HD LYS 4 -2.162 -6.026 -1.465
35 1HE LYS 4 2HE LYS 4 -1.004 -7.391 0.263
36 2HE LYS 4 1HE LYS 4 -0.090 -5.978 -0.263
37 1HZ LYS 4 1HZ LYS 4 -0.067 -5.196 1.797
38 2HZ LYS 4 2HZ LYS 4 -0.736 -6.657 2.325
39 3HZ LYS 4 3HZ LYS 4 -1.744 -5.350 1.959
40 H LEU 5 H LEU 5 -3.889 -1.157 -3.881
41 HA LEU 5 HA LEU 5 -1.338 0.036 -4.690
42 1HB LEU 5 2HB LEU 5 -2.399 0.287 -7.001
43 2HB LEU 5 1HB LEU 5 -1.773 -1.282 -6.531
44 HG LEU 5 HG LEU 5 -4.389 -1.459 -5.735
45 1HD1 LEU 5 1HD1 LEU 5 -5.486 -0.751 -8.022
46 2HD1 LEU 5 2HD1 LEU 5 -4.184 0.440 -8.014
47 3HD1 LEU 5 3HD1 LEU 5 -5.340 0.387 -6.683
48 1HD2 LEU 5 1HD2 LEU 5 -4.134 -3.297 -6.945
49 2HD2 LEU 5 2HD2 LEU 5 -2.649 -2.634 -7.627
50 3HD2 LEU 5 3HD2 LEU 5 -4.193 -2.351 -8.431
51 HA PRO 6 HA PRO 6 -4.812 3.335 -4.530
52 1HB PRO 6 2HB PRO 6 -5.835 3.594 -2.069
53 2HB PRO 6 1HB PRO 6 -6.508 2.450 -3.235
54 1HG PRO 6 2HG PRO 6 -4.732 1.948 -0.897
55 2HG PRO 6 1HG PRO 6 -6.065 0.971 -1.532
56 1HD PRO 6 2HD PRO 6 -3.368 0.495 -1.996
57 2HD PRO 6 1HD PRO 6 -4.720 -0.134 -2.951
58 H ASP 7 H ASP 7 -4.995 5.259 -2.632
59 HA ASP 7 HA ASP 7 -2.622 5.688 -1.146
60 1HB ASP 7 2HB ASP 7 -1.870 7.692 -2.579
61 2HB ASP 7 1HB ASP 7 -1.437 6.076 -3.126
62 H ASP 8 H ASP 8 -5.408 7.105 -2.768
63 HA ASP 8 HA ASP 8 -5.946 8.663 -0.362
64 1HB ASP 8 2HB ASP 8 -5.466 9.829 -3.084
65 2HB ASP 8 1HB ASP 8 -6.564 10.626 -1.961
66 H LYS 9 H LYS 9 -7.270 6.408 -1.074
67 HA LYS 9 HA LYS 9 -9.874 7.456 -1.955
68 1HB LYS 9 2HB LYS 9 -8.856 4.668 -2.510
69 2HB LYS 9 1HB LYS 9 -10.356 5.382 -3.085
70 1HG LYS 9 2HG LYS 9 -9.255 6.770 -4.606
71 2HG LYS 9 1HG LYS 9 -7.696 6.560 -3.805
72 1HD LYS 9 2HD LYS 9 -7.595 4.251 -4.536
73 2HD LYS 9 1HD LYS 9 -9.203 4.382 -5.253
74 1HE LYS 9 2HE LYS 9 -7.689 6.488 -6.332
75 2HE LYS 9 1HE LYS 9 -6.647 5.065 -6.371
76 1HZ LYS 9 1HZ LYS 9 -9.318 5.392 -7.608
77 2HZ LYS 9 2HZ LYS 9 -8.578 3.882 -7.426
78 3HZ LYS 9 3HZ LYS 9 -7.846 5.074 -8.380
79 H VAL 10 H VAL 10 -8.616 4.441 -0.564
80 HA VAL 10 HA VAL 10 -10.569 4.726 1.629
81 HB VAL 10 HB VAL 10 -9.681 2.217 0.204
82 1HG1 VAL 10 1HG1 VAL 10 -11.510 1.306 1.928
83 2HG1 VAL 10 2HG1 VAL 10 -10.826 2.608 2.903
84 3HG1 VAL 10 3HG1 VAL 10 -9.783 1.327 2.285
85 1HG2 VAL 10 1HG2 VAL 10 -12.464 2.324 0.461
86 2HG2 VAL 10 2HG2 VAL 10 -11.513 2.576 -1.003
87 3HG2 VAL 10 3HG2 VAL 10 -11.968 3.953 -0.001
88 H LEU 11 H LEU 11 -7.410 3.585 0.619
89 HA LEU 11 HA LEU 11 -5.612 2.808 1.836
90 1HB LEU 11 2HB LEU 11 -5.115 4.758 3.616
91 2HB LEU 11 1HB LEU 11 -4.775 4.885 1.901
92 HG LEU 11 HG LEU 11 -7.169 5.893 1.748
93 1HD1 LEU 11 1HD1 LEU 11 -8.286 6.132 3.645
94 2HD1 LEU 11 2HD1 LEU 11 -7.023 7.211 4.235
95 3HD1 LEU 11 3HD1 LEU 11 -6.927 5.482 4.561
96 1HD2 LEU 11 1HD2 LEU 11 -4.661 7.183 2.720
97 2HD2 LEU 11 2HD2 LEU 11 -6.132 8.143 2.574
98 3HD2 LEU 11 3HD2 LEU 11 -5.469 7.326 1.159
99 H ILE 12 H ILE 12 -6.824 1.023 2.837
100 HA ILE 12 HA ILE 12 -7.457 1.436 5.659
101 HB ILE 12 HB ILE 12 -7.894 -1.205 5.359
102 1HG1 ILE 12 2HG1 ILE 12 -9.389 -1.117 3.140
103 2HG1 ILE 12 1HG1 ILE 12 -8.087 -0.061 2.627
104 1HG2 ILE 12 1HG2 ILE 12 -10.284 -0.634 5.108
105 2HG2 ILE 12 2HG2 ILE 12 -9.804 1.036 4.807
106 3HG2 ILE 12 3HG2 ILE 12 -9.444 0.280 6.360
107 1HD1 ILE 12 1HD1 ILE 12 -8.132 -2.944 2.992
108 2HD1 ILE 12 2HD1 ILE 12 -6.736 -2.166 3.733
109 3HD1 ILE 12 3HD1 ILE 12 -7.060 -1.943 2.015
110 H ARG 13 H ARG 13 -5.601 1.500 6.791
111 HA ARG 13 HA ARG 13 -3.209 0.263 6.271
112 1HB ARG 13 2HB ARG 13 -4.396 1.603 8.485
113 2HB ARG 13 1HB ARG 13 -3.625 0.145 9.095
114 1HG ARG 13 2HG ARG 13 -2.110 1.896 7.224
115 2HG ARG 13 1HG ARG 13 -2.308 2.399 8.905
116 1HD ARG 13 2HD ARG 13 -1.242 -0.294 8.068
117 2HD ARG 13 1HD ARG 13 -0.220 1.097 8.429
118 HE ARG 13 HE ARG 13 -1.825 0.806 10.630
119 1HH1 ARG 13 1HH1 ARG 13 0.422 -1.213 8.903
120 2HH1 ARG 13 2HH1 ARG 13 0.894 -2.114 10.305
121 1HH2 ARG 13 1HH2 ARG 13 -1.213 -0.376 12.488
122 2HH2 ARG 13 2HH2 ARG 13 -0.037 -1.640 12.342
123 H SER 14 H SER 14 -6.161 -1.145 7.316
124 HA SER 14 HA SER 14 -5.859 -3.319 8.702
125 1HB SER 14 2HB SER 14 -7.166 -3.046 6.028
126 2HB SER 14 1HB SER 14 -7.159 -4.610 6.843
127 HG SER 14 HG SER 14 -8.653 -3.897 8.124
128 H ARG 15 H ARG 15 -5.463 -4.061 5.305
129 HA ARG 15 HA ARG 15 -2.788 -4.849 5.357
130 1HB ARG 15 2HB ARG 15 -2.786 -7.155 5.765
131 2HB ARG 15 1HB ARG 15 -3.834 -6.511 7.022
132 1HG ARG 15 2HG ARG 15 -5.418 -7.125 4.736
133 2HG ARG 15 1HG ARG 15 -4.402 -8.515 5.125
134 1HD ARG 15 2HD ARG 15 -5.332 -8.769 7.228
135 2HD ARG 15 1HD ARG 15 -5.880 -7.095 7.299
136 HE ARG 15 HE ARG 15 -7.832 -7.742 6.307
137 1HH1 ARG 15 1HH1 ARG 15 -5.430 -10.204 5.772
138 2HH1 ARG 15 2HH1 ARG 15 -6.539 -11.309 5.032
139 1HH2 ARG 15 1HH2 ARG 15 -9.301 -9.187 5.333
140 2HH2 ARG 15 2HH2 ARG 15 -8.740 -10.729 4.779
141 H SER 16 H SER 16 -4.677 -3.622 3.672
142 HA SER 16 HA SER 16 -4.029 -4.971 1.219
143 1HB SER 16 2HB SER 16 -6.978 -4.616 1.682
144 2HB SER 16 1HB SER 16 -6.161 -5.588 0.460
145 HG SER 16 HG SER 16 -6.753 -6.179 3.100
146 H ASN 17 H ASN 17 -3.297 -2.475 2.054
147 HA ASN 17 HA ASN 17 -4.247 -0.860 -0.079
148 1HB ASN 17 2HB ASN 17 -5.686 -0.745 2.385
149 2HB ASN 17 1HB ASN 17 -4.848 0.778 2.148
150 1HD2 ASN 17 1HD2 ASN 17 -6.713 -1.559 0.231
151 2HD2 ASN 17 2HD2 ASN 17 -7.655 -0.376 -0.604
152 H CYS 18 H CYS 18 -3.183 1.225 -0.179
153 HA CYS 18 HA CYS 18 -0.822 1.437 1.562
154 1HB CYS 18 2HB CYS 18 -0.436 2.553 -1.109
155 2HB CYS 18 1HB CYS 18 0.609 1.507 -0.172
156 HA PRO 19 HA PRO 19 -2.358 5.531 2.252
157 1HB PRO 19 2HB PRO 19 0.360 6.325 2.994
158 2HB PRO 19 1HB PRO 19 -1.087 6.217 4.000
159 1HG PRO 19 2HG PRO 19 0.976 4.492 4.245
160 2HG PRO 19 1HG PRO 19 -0.707 4.017 4.545
161 1HD PRO 19 2HD PRO 19 1.001 3.530 2.133
162 2HD PRO 19 1HD PRO 19 -0.144 2.441 2.943
163 H LYS 20 H LYS 20 -1.225 7.890 1.960
164 HA LYS 20 HA LYS 20 -1.058 8.244 -0.862
165 1HB LYS 20 2HB LYS 20 -0.633 10.637 -0.266
166 2HB LYS 20 1HB LYS 20 -2.091 9.964 0.450
167 1HG LYS 20 2HG LYS 20 -0.795 9.578 2.545
168 2HG LYS 20 1HG LYS 20 0.547 10.453 1.807
169 1HD LYS 20 2HD LYS 20 -0.365 12.353 2.535
170 2HD LYS 20 1HD LYS 20 -1.729 12.064 1.453
171 1HE LYS 20 2HE LYS 20 -2.432 10.456 3.469
172 2HE LYS 20 1HE LYS 20 -1.491 11.640 4.374
173 1HZ LYS 20 1HZ LYS 20 -3.435 12.734 4.414
174 2HZ LYS 20 2HZ LYS 20 -4.062 11.925 3.067
175 3HZ LYS 20 3HZ LYS 20 -3.005 13.230 2.854
176 H GLY 21 H GLY 21 0.675 8.832 -2.133
177 1HA GLY 21 2HA GLY 21 2.864 8.542 -2.827
178 2HA GLY 21 1HA GLY 21 3.162 9.690 -1.530
179 H LYS 22 H LYS 22 1.982 6.415 -1.068
180 HA LYS 22 HA LYS 22 4.178 5.859 0.706
181 1HB LYS 22 2HB LYS 22 2.951 4.058 1.460
182 2HB LYS 22 1HB LYS 22 1.704 5.199 0.991
183 1HG LYS 22 2HG LYS 22 2.417 2.581 -0.170
184 2HG LYS 22 1HG LYS 22 0.855 3.347 0.071
185 1HD LYS 22 2HD LYS 22 0.792 3.915 -2.075
186 2HD LYS 22 1HD LYS 22 2.257 4.859 -1.880
187 1HE LYS 22 2HE LYS 22 2.155 2.916 -3.618
188 2HE LYS 22 1HE LYS 22 3.612 3.202 -2.674
189 1HZ LYS 22 1HZ LYS 22 1.563 1.320 -1.725
190 2HZ LYS 22 2HZ LYS 22 3.208 1.372 -1.343
191 3HZ LYS 22 3HZ LYS 22 2.707 0.829 -2.864
192 H VAL 23 H VAL 23 4.480 3.129 0.353
193 HA VAL 23 HA VAL 23 5.277 2.551 -2.327
194 HB VAL 23 HB VAL 23 7.693 2.157 -1.324
195 1HG1 VAL 23 1HG1 VAL 23 7.619 4.890 -2.101
196 2HG1 VAL 23 2HG1 VAL 23 6.416 4.004 -3.038
197 3HG1 VAL 23 3HG1 VAL 23 8.102 3.490 -3.058
198 1HG2 VAL 23 1HG2 VAL 23 8.292 4.254 -0.037
199 2HG2 VAL 23 2HG2 VAL 23 7.389 3.025 0.848
200 3HG2 VAL 23 3HG2 VAL 23 6.563 4.458 0.237
201 H TRP 24 H TRP 24 4.787 0.456 -2.522
202 HA TRP 24 HA TRP 24 4.520 -1.258 -0.295
203 1HB TRP 24 2HB TRP 24 3.150 -1.802 -2.089
204 2HB TRP 24 1HB TRP 24 4.452 -1.601 -3.234
205 HD1 TRP 24 HD TRP 24 5.983 -3.700 -3.745
206 HE1 TRP 24 1HE TRP 24 5.700 -6.205 -3.257
207 HE3 TRP 24 3HE TRP 24 2.356 -3.385 -0.212
208 HZ2 TRP 24 2HZ TRP 24 4.118 -7.836 -1.577
209 HZ3 TRP 24 3HZ TRP 24 1.509 -5.458 0.801
210 HH2 TRP 24 HH TRP 24 2.368 -7.633 0.135
211 H ASN 25 H ASN 25 5.626 -3.371 -0.182
212 HA ASN 25 HA ASN 25 8.325 -3.522 -1.165
213 1HB ASN 25 2HB ASN 25 8.394 -1.879 0.761
214 2HB ASN 25 1HB ASN 25 7.971 -3.226 1.813
215 1HD2 ASN 25 1HD2 ASN 25 9.456 -4.897 2.121
216 2HD2 ASN 25 2HD2 ASN 25 11.134 -4.702 1.758
217 H GLY 26 H GLY 26 8.049 -5.572 -1.838
218 1HA GLY 26 2HA GLY 26 7.877 -7.841 -1.803
219 2HA GLY 26 1HA GLY 26 8.521 -7.711 -0.181
220 H PHE 27 H PHE 27 6.483 -6.688 1.277
221 HA PHE 27 HA PHE 27 4.074 -8.166 0.710
222 1HB PHE 27 2HB PHE 27 5.798 -8.791 3.101
223 2HB PHE 27 1HB PHE 27 4.138 -9.341 2.909
224 HD1 PHE 27 1HD PHE 27 3.597 -10.816 0.914
225 HD2 PHE 27 2HD PHE 27 7.571 -10.002 2.198
226 HE1 PHE 27 1HE PHE 27 4.392 -12.801 -0.303
227 HE2 PHE 27 2HE PHE 27 8.375 -11.985 0.984
228 HZ PHE 27 HZ PHE 27 6.784 -13.387 -0.269
229 H ASP 28 H ASP 28 4.730 -5.351 1.036
230 HA ASP 28 HA ASP 28 2.636 -4.708 2.937
231 1HB ASP 28 2HB ASP 28 5.408 -3.697 3.472
232 2HB ASP 28 1HB ASP 28 3.959 -3.312 4.392
233 H CYS 29 H CYS 29 1.635 -2.830 2.440
234 HA CYS 29 HA CYS 29 2.854 -1.170 0.336
235 1HB CYS 29 2HB CYS 29 0.341 -2.378 0.504
236 2HB CYS 29 1HB CYS 29 0.054 -0.677 0.844
237 H LYS 30 H LYS 30 3.982 0.363 1.560
238 HA LYS 30 HA LYS 30 2.382 2.374 2.820
239 1HB LYS 30 2HB LYS 30 3.416 0.261 4.412
240 2HB LYS 30 1HB LYS 30 4.298 1.725 4.815
241 1HG LYS 30 2HG LYS 30 2.569 1.896 6.256
242 2HG LYS 30 1HG LYS 30 1.925 2.781 4.879
243 1HD LYS 30 2HD LYS 30 0.436 1.037 6.098
244 2HD LYS 30 1HD LYS 30 0.424 1.114 4.341
245 1HE LYS 30 2HE LYS 30 0.529 -1.195 5.214
246 2HE LYS 30 1HE LYS 30 1.916 -0.785 4.208
247 1HZ LYS 30 1HZ LYS 30 2.701 -1.930 6.120
248 2HZ LYS 30 2HZ LYS 30 1.829 -0.930 7.170
249 3HZ LYS 30 3HZ LYS 30 3.140 -0.305 6.303
250 H SER 31 H SER 31 3.699 4.212 3.638
251 HA SER 31 HA SER 31 5.497 5.170 1.825
252 1HB SER 31 2HB SER 31 6.223 5.988 4.538
253 2HB SER 31 1HB SER 31 5.604 6.957 3.200
254 HG SER 31 HG SER 31 4.292 5.937 5.345
255 HA PRO 32 HA PRO 32 9.341 3.125 2.361
256 1HB PRO 32 2HB PRO 32 11.181 5.101 2.152
257 2HB PRO 32 1HB PRO 32 10.226 4.538 0.775
258 1HG PRO 32 2HG PRO 32 9.819 6.945 2.505
259 2HG PRO 32 1HG PRO 32 9.672 6.793 0.744
260 1HD PRO 32 2HD PRO 32 7.529 6.789 2.420
261 2HD PRO 32 1HD PRO 32 7.548 5.919 0.873
262 H PHE 33 H PHE 33 8.874 5.898 4.446
263 HA PHE 33 HA PHE 33 10.974 5.591 6.219
264 1HB PHE 33 2HB PHE 33 8.228 6.220 7.226
265 2HB PHE 33 1HB PHE 33 9.771 6.934 7.684
266 HD1 PHE 33 1HD PHE 33 6.813 7.676 6.204
267 HD2 PHE 33 2HD PHE 33 10.985 7.984 5.436
268 HE1 PHE 33 1HE PHE 33 6.385 9.544 4.666
269 HE2 PHE 33 2HE PHE 33 10.567 9.854 3.897
270 HZ PHE 33 HZ PHE 33 8.265 10.641 3.509
271 H ALA 34 H ALA 34 8.065 3.731 5.850
272 HA ALA 34 HA ALA 34 8.625 2.210 8.286
273 1HB ALA 34 1HB ALA 34 6.300 3.185 7.477
274 2HB ALA 34 2HB ALA 34 6.417 1.666 8.368
275 3HB ALA 34 3HB ALA 34 6.241 1.648 6.613
276 H PHE 35 H PHE 35 10.445 1.822 6.243
277 HA PHE 35 HA PHE 35 10.287 -1.008 5.917
278 1HB PHE 35 2HB PHE 35 9.964 0.739 3.471
279 2HB PHE 35 1HB PHE 35 10.437 -0.957 3.401
280 HD1 PHE 35 1HD PHE 35 7.769 1.120 2.957
281 HD2 PHE 35 2HD PHE 35 8.809 -2.447 5.029
282 HE1 PHE 35 1HE PHE 35 5.398 0.464 3.013
283 HE2 PHE 35 2HE PHE 35 6.443 -3.110 5.086
284 HZ PHE 35 HZ PHE 35 4.733 -1.652 4.077
285 H SER 36 H SER 36 12.109 0.579 7.192
286 HA SER 36 HA SER 36 14.541 -0.299 6.084
287 1HB SER 36 2HB SER 36 15.068 1.349 4.663
288 2HB SER 36 1HB SER 36 13.600 2.229 5.088
289 HG SER 36 HG SER 36 15.579 3.378 5.527
Start of MODEL 9
1 1H GLU 1 1HT GLU 1 -10.225 -9.937 -2.629
2 2H GLU 1 2HT GLU 1 -9.595 -11.427 -3.204
3 3H GLU 1 3HT GLU 1 -10.401 -10.360 -4.280
4 HA GLU 1 HA GLU 1 -7.752 -10.151 -3.070
5 1HB GLU 1 2HB GLU 1 -8.817 -10.823 -5.579
6 2HB GLU 1 1HB GLU 1 -8.152 -9.208 -5.778
7 1HG GLU 1 2HG GLU 1 -5.997 -9.893 -5.324
8 2HG GLU 1 1HG GLU 1 -6.527 -11.331 -4.453
9 H LEU 2 H LEU 2 -6.674 -8.040 -4.040
10 HA LEU 2 HA LEU 2 -8.180 -5.701 -4.343
11 1HB LEU 2 2HB LEU 2 -8.279 -6.549 -1.737
12 2HB LEU 2 1HB LEU 2 -6.933 -5.426 -1.706
13 HG LEU 2 HG LEU 2 -8.420 -3.692 -2.707
14 1HD1 LEU 2 1HD1 LEU 2 -10.890 -4.148 -2.487
15 2HD1 LEU 2 2HD1 LEU 2 -10.475 -5.856 -2.335
16 3HD1 LEU 2 3HD1 LEU 2 -10.069 -4.977 -3.811
17 1HD2 LEU 2 1HD2 LEU 2 -9.515 -3.145 -0.664
18 2HD2 LEU 2 2HD2 LEU 2 -7.999 -3.946 -0.248
19 3HD2 LEU 2 3HD2 LEU 2 -9.522 -4.830 -0.146
20 HA PRO 3 HA PRO 3 -3.929 -5.058 -5.697
21 1HB PRO 3 2HB PRO 3 -4.525 -2.820 -7.158
22 2HB PRO 3 1HB PRO 3 -4.721 -4.469 -7.759
23 1HG PRO 3 2HG PRO 3 -6.769 -2.602 -6.638
24 2HG PRO 3 1HG PRO 3 -6.896 -3.709 -8.016
25 1HD PRO 3 2HD PRO 3 -7.947 -4.288 -5.594
26 2HD PRO 3 1HD PRO 3 -7.294 -5.540 -6.671
27 H LYS 4 H LYS 4 -3.175 -4.488 -3.599
28 HA LYS 4 HA LYS 4 -3.718 -2.130 -2.230
29 1HB LYS 4 2HB LYS 4 -1.414 -4.038 -2.250
30 2HB LYS 4 1HB LYS 4 -1.287 -2.545 -1.333
31 1HG LYS 4 2HG LYS 4 -2.142 -3.815 0.313
32 2HG LYS 4 1HG LYS 4 -3.674 -3.407 -0.462
33 1HD LYS 4 2HD LYS 4 -3.561 -5.792 -0.019
34 2HD LYS 4 1HD LYS 4 -3.556 -5.491 -1.758
35 1HE LYS 4 2HE LYS 4 -1.798 -6.888 -1.776
36 2HE LYS 4 1HE LYS 4 -0.894 -5.486 -1.207
37 1HZ LYS 4 1HZ LYS 4 -0.388 -7.284 0.220
38 2HZ LYS 4 2HZ LYS 4 -2.017 -7.689 0.428
39 3HZ LYS 4 3HZ LYS 4 -1.411 -6.257 1.095
40 H LEU 5 H LEU 5 -3.795 -0.619 -4.094
41 HA LEU 5 HA LEU 5 -1.194 0.662 -4.432
42 1HB LEU 5 2HB LEU 5 -3.123 0.208 -6.696
43 2HB LEU 5 1HB LEU 5 -1.565 1.007 -6.792
44 HG LEU 5 HG LEU 5 -1.859 -1.873 -5.972
45 1HD1 LEU 5 1HD1 LEU 5 -2.418 -2.347 -8.069
46 2HD1 LEU 5 2HD1 LEU 5 -0.815 -1.784 -8.544
47 3HD1 LEU 5 3HD1 LEU 5 -2.186 -0.674 -8.579
48 1HD2 LEU 5 1HD2 LEU 5 0.259 -0.101 -5.833
49 2HD2 LEU 5 2HD2 LEU 5 0.570 -1.021 -7.304
50 3HD2 LEU 5 3HD2 LEU 5 0.357 -1.861 -5.768
51 HA PRO 6 HA PRO 6 -4.846 3.766 -4.416
52 1HB PRO 6 2HB PRO 6 -6.097 3.774 -2.077
53 2HB PRO 6 1HB PRO 6 -6.525 2.592 -3.322
54 1HG PRO 6 2HG PRO 6 -4.773 2.240 -0.913
55 2HG PRO 6 1HG PRO 6 -6.064 1.186 -1.522
56 1HD PRO 6 2HD PRO 6 -3.408 0.768 -2.029
57 2HD PRO 6 1HD PRO 6 -4.728 0.240 -3.088
58 H ASP 7 H ASP 7 -5.249 5.616 -2.552
59 HA ASP 7 HA ASP 7 -3.137 6.069 -0.742
60 1HB ASP 7 2HB ASP 7 -2.258 8.121 -2.144
61 2HB ASP 7 1HB ASP 7 -1.593 6.509 -2.388
62 H ASP 8 H ASP 8 -5.530 7.587 -2.859
63 HA ASP 8 HA ASP 8 -6.323 9.267 -0.577
64 1HB ASP 8 2HB ASP 8 -6.980 10.887 -2.639
65 2HB ASP 8 1HB ASP 8 -5.456 10.993 -1.764
66 H LYS 9 H LYS 9 -7.578 6.931 -0.992
67 HA LYS 9 HA LYS 9 -10.214 7.800 -1.913
68 1HB LYS 9 2HB LYS 9 -9.175 5.059 -2.599
69 2HB LYS 9 1HB LYS 9 -10.611 5.864 -3.219
70 1HG LYS 9 2HG LYS 9 -7.848 6.911 -3.745
71 2HG LYS 9 1HG LYS 9 -8.606 5.691 -4.769
72 1HD LYS 9 2HD LYS 9 -10.573 7.327 -4.936
73 2HD LYS 9 1HD LYS 9 -9.456 8.531 -4.290
74 1HE LYS 9 2HE LYS 9 -8.345 6.971 -6.495
75 2HE LYS 9 1HE LYS 9 -9.776 7.898 -6.942
76 1HZ LYS 9 1HZ LYS 9 -7.754 9.172 -7.282
77 2HZ LYS 9 2HZ LYS 9 -7.338 9.001 -5.651
78 3HZ LYS 9 3HZ LYS 9 -8.710 9.890 -6.084
79 H VAL 10 H VAL 10 -8.605 4.915 -0.603
80 HA VAL 10 HA VAL 10 -10.510 4.957 1.636
81 HB VAL 10 HB VAL 10 -9.639 2.551 0.035
82 1HG1 VAL 10 1HG1 VAL 10 -9.596 2.157 2.503
83 2HG1 VAL 10 2HG1 VAL 10 -10.745 1.151 1.620
84 3HG1 VAL 10 3HG1 VAL 10 -11.315 2.547 2.537
85 1HG2 VAL 10 1HG2 VAL 10 -11.794 4.252 -0.284
86 2HG2 VAL 10 2HG2 VAL 10 -12.467 2.888 0.609
87 3HG2 VAL 10 3HG2 VAL 10 -11.651 2.617 -0.931
88 H LEU 11 H LEU 11 -7.367 3.972 0.415
89 HA LEU 11 HA LEU 11 -5.506 3.150 1.523
90 1HB LEU 11 2HB LEU 11 -4.545 4.934 2.934
91 2HB LEU 11 1HB LEU 11 -5.133 5.503 1.383
92 HG LEU 11 HG LEU 11 -7.195 5.741 3.387
93 1HD1 LEU 11 1HD1 LEU 11 -4.509 6.359 4.256
94 2HD1 LEU 11 2HD1 LEU 11 -6.019 6.357 5.168
95 3HD1 LEU 11 3HD1 LEU 11 -5.540 7.791 4.259
96 1HD2 LEU 11 1HD2 LEU 11 -7.412 7.010 1.445
97 2HD2 LEU 11 2HD2 LEU 11 -5.733 7.550 1.495
98 3HD2 LEU 11 3HD2 LEU 11 -6.900 8.186 2.654
99 H ILE 12 H ILE 12 -7.437 1.636 2.603
100 HA ILE 12 HA ILE 12 -7.719 1.920 5.420
101 HB ILE 12 HB ILE 12 -8.134 -0.705 5.172
102 1HG1 ILE 12 2HG1 ILE 12 -9.358 -0.118 2.601
103 2HG1 ILE 12 1HG1 ILE 12 -7.606 -0.054 2.533
104 1HG2 ILE 12 1HG2 ILE 12 -10.105 1.370 4.263
105 2HG2 ILE 12 2HG2 ILE 12 -9.730 0.969 5.940
106 3HG2 ILE 12 3HG2 ILE 12 -10.477 -0.235 4.892
107 1HD1 ILE 12 1HD1 ILE 12 -7.915 -2.247 2.084
108 2HD1 ILE 12 2HD1 ILE 12 -9.388 -2.349 3.050
109 3HD1 ILE 12 3HD1 ILE 12 -7.812 -2.325 3.843
110 H ARG 13 H ARG 13 -6.084 1.782 6.801
111 HA ARG 13 HA ARG 13 -3.591 0.602 6.276
112 1HB ARG 13 2HB ARG 13 -4.735 2.106 8.340
113 2HB ARG 13 1HB ARG 13 -4.251 0.598 9.102
114 1HG ARG 13 2HG ARG 13 -1.988 0.982 7.937
115 2HG ARG 13 1HG ARG 13 -2.549 2.644 7.732
116 1HD ARG 13 2HD ARG 13 -3.091 1.963 10.399
117 2HD ARG 13 1HD ARG 13 -1.471 1.353 10.066
118 HE ARG 13 HE ARG 13 -2.195 4.049 10.443
119 1HH1 ARG 13 1HH1 ARG 13 -0.184 2.041 8.433
120 2HH1 ARG 13 2HH1 ARG 13 0.975 3.290 8.120
121 1HH2 ARG 13 1HH2 ARG 13 -0.671 5.700 10.048
122 2HH2 ARG 13 2HH2 ARG 13 0.698 5.372 9.040
123 H SER 14 H SER 14 -6.598 -0.689 7.181
124 HA SER 14 HA SER 14 -6.464 -2.819 8.663
125 1HB SER 14 2HB SER 14 -7.835 -2.259 6.194
126 2HB SER 14 1HB SER 14 -7.475 -3.981 6.322
127 HG SER 14 HG SER 14 -9.503 -3.156 7.319
128 H ARG 15 H ARG 15 -5.906 -3.750 5.337
129 HA ARG 15 HA ARG 15 -3.264 -4.656 5.636
130 1HB ARG 15 2HB ARG 15 -3.816 -7.155 5.618
131 2HB ARG 15 1HB ARG 15 -3.960 -6.317 7.156
132 1HG ARG 15 2HG ARG 15 -6.150 -6.720 7.302
133 2HG ARG 15 1HG ARG 15 -6.431 -6.335 5.603
134 1HD ARG 15 2HD ARG 15 -5.604 -8.939 6.832
135 2HD ARG 15 1HD ARG 15 -6.972 -8.600 5.781
136 HE ARG 15 HE ARG 15 -5.419 -8.392 3.940
137 1HH1 ARG 15 1HH1 ARG 15 -4.110 -9.866 6.845
138 2HH1 ARG 15 2HH1 ARG 15 -2.835 -10.666 5.996
139 1HH2 ARG 15 1HH2 ARG 15 -3.738 -9.448 2.854
140 2HH2 ARG 15 2HH2 ARG 15 -2.621 -10.430 3.742
141 H SER 16 H SER 16 -4.866 -3.325 3.777
142 HA SER 16 HA SER 16 -4.048 -4.629 1.383
143 1HB SER 16 2HB SER 16 -7.008 -4.642 2.005
144 2HB SER 16 1HB SER 16 -6.333 -4.931 0.401
145 HG SER 16 HG SER 16 -5.988 -6.487 2.744
146 H ASN 17 H ASN 17 -3.372 -2.190 2.131
147 HA ASN 17 HA ASN 17 -4.294 -0.545 0.042
148 1HB ASN 17 2HB ASN 17 -5.886 -0.541 2.396
149 2HB ASN 17 1HB ASN 17 -5.066 1.008 2.288
150 1HD2 ASN 17 1HD2 ASN 17 -6.542 -1.242 -0.032
151 2HD2 ASN 17 2HD2 ASN 17 -7.521 -0.056 -0.820
152 H CYS 18 H CYS 18 -2.993 1.221 -0.249
153 HA CYS 18 HA CYS 18 -0.838 1.550 1.727
154 1HB CYS 18 2HB CYS 18 -0.239 2.729 -0.843
155 2HB CYS 18 1HB CYS 18 0.626 1.517 0.065
156 HA PRO 19 HA PRO 19 -2.334 5.590 2.618
157 1HB PRO 19 2HB PRO 19 0.512 6.335 2.965
158 2HB PRO 19 1HB PRO 19 -0.827 6.436 4.114
159 1HG PRO 19 2HG PRO 19 1.070 4.572 4.368
160 2HG PRO 19 1HG PRO 19 -0.627 4.218 4.747
161 1HD PRO 19 2HD PRO 19 0.968 3.494 2.324
162 2HD PRO 19 1HD PRO 19 -0.237 2.535 3.207
163 H LYS 20 H LYS 20 -0.771 7.921 2.220
164 HA LYS 20 HA LYS 20 -1.139 8.258 -0.644
165 1HB LYS 20 2HB LYS 20 -0.812 10.645 -0.166
166 2HB LYS 20 1HB LYS 20 -2.042 9.945 0.879
167 1HG LYS 20 2HG LYS 20 -0.596 9.914 2.734
168 2HG LYS 20 1HG LYS 20 0.818 10.236 1.729
169 1HD LYS 20 2HD LYS 20 -0.093 12.461 1.196
170 2HD LYS 20 1HD LYS 20 -1.471 12.135 2.250
171 1HE LYS 20 2HE LYS 20 -0.108 12.095 4.180
172 2HE LYS 20 1HE LYS 20 1.371 12.018 3.223
173 1HZ LYS 20 1HZ LYS 20 -0.395 14.323 3.715
174 2HZ LYS 20 2HZ LYS 20 0.584 14.287 2.336
175 3HZ LYS 20 3HZ LYS 20 1.286 14.213 3.873
176 H GLY 21 H GLY 21 0.472 8.597 -2.099
177 1HA GLY 21 2HA GLY 21 2.615 8.281 -2.932
178 2HA GLY 21 1HA GLY 21 2.969 9.601 -1.826
179 H LYS 22 H LYS 22 2.187 6.159 -1.395
180 HA LYS 22 HA LYS 22 4.422 5.953 0.476
181 1HB LYS 22 2HB LYS 22 3.227 3.683 0.933
182 2HB LYS 22 1HB LYS 22 2.531 5.167 1.554
183 1HG LYS 22 2HG LYS 22 0.925 3.552 0.482
184 2HG LYS 22 1HG LYS 22 0.867 5.213 -0.096
185 1HD LYS 22 2HD LYS 22 0.764 3.916 -2.034
186 2HD LYS 22 1HD LYS 22 2.432 4.458 -1.958
187 1HE LYS 22 2HE LYS 22 1.345 1.772 -1.948
188 2HE LYS 22 1HE LYS 22 2.974 2.318 -2.291
189 1HZ LYS 22 1HZ LYS 22 2.192 2.264 0.523
190 2HZ LYS 22 2HZ LYS 22 3.650 1.858 -0.200
191 3HZ LYS 22 3HZ LYS 22 2.369 0.774 -0.240
192 H VAL 23 H VAL 23 4.804 3.200 0.351
193 HA VAL 23 HA VAL 23 5.435 2.490 -2.366
194 HB VAL 23 HB VAL 23 7.864 2.012 -1.347
195 1HG1 VAL 23 1HG1 VAL 23 8.511 4.168 -2.526
196 2HG1 VAL 23 2HG1 VAL 23 6.782 4.415 -2.774
197 3HG1 VAL 23 3HG1 VAL 23 7.579 2.999 -3.462
198 1HG2 VAL 23 1HG2 VAL 23 8.593 3.477 0.211
199 2HG2 VAL 23 2HG2 VAL 23 6.887 3.504 0.657
200 3HG2 VAL 23 3HG2 VAL 23 7.550 4.772 -0.373
201 H TRP 24 H TRP 24 4.826 0.446 -2.491
202 HA TRP 24 HA TRP 24 4.526 -1.230 -0.257
203 1HB TRP 24 2HB TRP 24 3.068 -1.747 -1.961
204 2HB TRP 24 1HB TRP 24 4.279 -1.487 -3.192
205 HD1 TRP 24 HD TRP 24 5.833 -3.570 -3.853
206 HE1 TRP 24 1HE TRP 24 5.491 -6.098 -3.560
207 HE3 TRP 24 3HE TRP 24 2.217 -3.444 -0.304
208 HZ2 TRP 24 2HZ TRP 24 3.887 -7.820 -2.004
209 HZ3 TRP 24 3HZ TRP 24 1.351 -5.576 0.573
210 HH2 TRP 24 HH TRP 24 2.152 -7.714 -0.267
211 H ASN 25 H ASN 25 5.463 -3.422 -0.235
212 HA ASN 25 HA ASN 25 8.255 -3.580 -1.083
213 1HB ASN 25 2HB ASN 25 8.000 -2.563 1.291
214 2HB ASN 25 1HB ASN 25 7.558 -4.196 1.779
215 1HD2 ASN 25 1HD2 ASN 25 9.293 -4.716 2.979
216 2HD2 ASN 25 2HD2 ASN 25 10.909 -4.807 2.374
217 H GLY 26 H GLY 26 9.108 -5.847 -0.156
218 1HA GLY 26 2HA GLY 26 8.179 -7.884 -1.541
219 2HA GLY 26 1HA GLY 26 8.748 -8.136 0.097
220 H PHE 27 H PHE 27 6.433 -6.703 1.323
221 HA PHE 27 HA PHE 27 4.084 -8.058 0.452
222 1HB PHE 27 2HB PHE 27 5.636 -9.117 2.786
223 2HB PHE 27 1HB PHE 27 3.882 -9.268 2.745
224 HD1 PHE 27 1HD PHE 27 6.391 -11.300 2.520
225 HD2 PHE 27 2HD PHE 27 3.433 -9.770 -0.129
226 HE1 PHE 27 1HE PHE 27 6.602 -13.317 1.127
227 HE2 PHE 27 2HE PHE 27 3.638 -11.785 -1.527
228 HZ PHE 27 HZ PHE 27 5.223 -13.561 -0.900
229 H ASP 28 H ASP 28 4.448 -5.354 0.822
230 HA ASP 28 HA ASP 28 2.386 -4.766 2.713
231 1HB ASP 28 2HB ASP 28 5.221 -4.283 3.502
232 2HB ASP 28 1HB ASP 28 3.966 -3.169 4.034
233 H CYS 29 H CYS 29 1.600 -2.662 2.539
234 HA CYS 29 HA CYS 29 2.831 -1.065 0.384
235 1HB CYS 29 2HB CYS 29 0.205 -2.076 0.668
236 2HB CYS 29 1HB CYS 29 0.105 -0.341 0.931
237 H LYS 30 H LYS 30 4.063 0.423 1.542
238 HA LYS 30 HA LYS 30 2.619 2.407 3.012
239 1HB LYS 30 2HB LYS 30 3.640 0.205 4.425
240 2HB LYS 30 1HB LYS 30 4.716 1.552 4.774
241 1HG LYS 30 2HG LYS 30 3.159 1.802 6.406
242 2HG LYS 30 1HG LYS 30 2.511 2.852 5.150
243 1HD LYS 30 2HD LYS 30 0.873 1.297 6.336
244 2HD LYS 30 1HD LYS 30 0.835 1.324 4.576
245 1HE LYS 30 2HE LYS 30 2.000 -0.743 4.436
246 2HE LYS 30 1HE LYS 30 2.420 -0.697 6.146
247 1HZ LYS 30 1HZ LYS 30 0.639 -1.989 6.408
248 2HZ LYS 30 2HZ LYS 30 0.015 -1.628 4.878
249 3HZ LYS 30 3HZ LYS 30 -0.283 -0.588 6.179
250 H SER 31 H SER 31 3.832 4.284 3.470
251 HA SER 31 HA SER 31 5.624 5.139 1.607
252 1HB SER 31 2HB SER 31 6.251 6.272 4.224
253 2HB SER 31 1HB SER 31 5.602 7.058 2.785
254 HG SER 31 HG SER 31 3.597 6.687 3.460
255 HA PRO 32 HA PRO 32 9.616 3.523 2.453
256 1HB PRO 32 2HB PRO 32 11.283 5.654 2.368
257 2HB PRO 32 1HB PRO 32 10.484 5.019 0.926
258 1HG PRO 32 2HG PRO 32 9.745 7.373 2.619
259 2HG PRO 32 1HG PRO 32 9.740 7.220 0.853
260 1HD PRO 32 2HD PRO 32 7.491 7.017 2.372
261 2HD PRO 32 1HD PRO 32 7.695 6.171 0.826
262 H PHE 33 H PHE 33 8.206 5.653 4.614
263 HA PHE 33 HA PHE 33 10.315 5.736 6.551
264 1HB PHE 33 2HB PHE 33 7.490 6.183 7.342
265 2HB PHE 33 1HB PHE 33 8.930 7.112 7.742
266 HD1 PHE 33 1HD PHE 33 6.062 7.922 6.672
267 HD2 PHE 33 2HD PHE 33 9.920 7.545 4.918
268 HE1 PHE 33 1HE PHE 33 5.446 9.589 4.969
269 HE2 PHE 33 2HE PHE 33 9.312 9.210 3.212
270 HZ PHE 33 HZ PHE 33 7.072 10.235 3.236
271 H ALA 34 H ALA 34 8.254 3.338 5.507
272 HA ALA 34 HA ALA 34 8.492 1.909 8.068
273 1HB ALA 34 1HB ALA 34 6.256 1.187 6.274
274 2HB ALA 34 2HB ALA 34 6.128 2.721 7.135
275 3HB ALA 34 3HB ALA 34 6.334 1.219 8.035
276 H PHE 35 H PHE 35 10.458 1.740 6.158
277 HA PHE 35 HA PHE 35 10.499 -1.071 5.669
278 1HB PHE 35 2HB PHE 35 10.255 0.792 3.300
279 2HB PHE 35 1HB PHE 35 10.842 -0.864 3.178
280 HD1 PHE 35 1HD PHE 35 7.951 1.267 3.422
281 HD2 PHE 35 2HD PHE 35 9.321 -2.746 3.775
282 HE1 PHE 35 1HE PHE 35 5.636 0.461 3.216
283 HE2 PHE 35 2HE PHE 35 7.008 -3.558 3.568
284 HZ PHE 35 HZ PHE 35 5.163 -1.953 3.287
285 H SER 36 H SER 36 12.084 0.791 7.094
286 HA SER 36 HA SER 36 14.631 0.507 5.646
287 1HB SER 36 2HB SER 36 14.118 2.860 5.651
288 2HB SER 36 1HB SER 36 13.722 2.821 7.369
289 HG SER 36 HG SER 36 16.218 2.762 6.106
Start of MODEL 10
1 1H GLU 1 1HT GLU 1 -7.364 -11.648 -4.985
2 2H GLU 1 2HT GLU 1 -9.044 -11.425 -4.711
3 3H GLU 1 3HT GLU 1 -8.123 -12.410 -3.650
4 HA GLU 1 HA GLU 1 -8.692 -10.166 -2.827
5 1HB GLU 1 2HB GLU 1 -6.197 -11.650 -2.838
6 2HB GLU 1 1HB GLU 1 -5.921 -9.937 -2.548
7 1HG GLU 1 2HG GLU 1 -6.183 -11.142 -0.463
8 2HG GLU 1 1HG GLU 1 -7.497 -9.990 -0.691
9 H LEU 2 H LEU 2 -7.997 -7.943 -2.788
10 HA LEU 2 HA LEU 2 -7.541 -6.920 -5.471
11 1HB LEU 2 2HB LEU 2 -9.102 -6.094 -3.347
12 2HB LEU 2 1HB LEU 2 -7.771 -4.951 -3.333
13 HG LEU 2 HG LEU 2 -8.315 -4.768 -5.905
14 1HD1 LEU 2 1HD1 LEU 2 -11.123 -5.058 -5.148
15 2HD1 LEU 2 2HD1 LEU 2 -10.236 -6.581 -5.224
16 3HD1 LEU 2 3HD1 LEU 2 -10.291 -5.522 -6.633
17 1HD2 LEU 2 1HD2 LEU 2 -8.786 -2.720 -5.202
18 2HD2 LEU 2 2HD2 LEU 2 -9.027 -3.325 -3.563
19 3HD2 LEU 2 3HD2 LEU 2 -10.384 -3.260 -4.689
20 HA PRO 3 HA PRO 3 -3.158 -6.461 -4.730
21 1HB PRO 3 2HB PRO 3 -3.389 -4.638 -7.059
22 2HB PRO 3 1HB PRO 3 -2.341 -6.040 -6.826
23 1HG PRO 3 2HG PRO 3 -4.450 -6.161 -8.457
24 2HG PRO 3 1HG PRO 3 -3.988 -7.544 -7.448
25 1HD PRO 3 2HD PRO 3 -6.197 -5.565 -7.058
26 2HD PRO 3 1HD PRO 3 -6.185 -7.316 -6.758
27 H LYS 4 H LYS 4 -2.367 -5.153 -3.226
28 HA LYS 4 HA LYS 4 -3.543 -2.692 -2.508
29 1HB LYS 4 2HB LYS 4 -0.925 -3.989 -1.773
30 2HB LYS 4 1HB LYS 4 -1.440 -2.450 -1.096
31 1HG LYS 4 2HG LYS 4 -2.291 -3.748 0.523
32 2HG LYS 4 1HG LYS 4 -3.631 -3.941 -0.610
33 1HD LYS 4 2HD LYS 4 -3.086 -6.126 0.070
34 2HD LYS 4 1HD LYS 4 -2.352 -5.948 -1.525
35 1HE LYS 4 2HE LYS 4 -0.389 -5.060 0.207
36 2HE LYS 4 1HE LYS 4 -1.108 -6.429 1.056
37 1HZ LYS 4 1HZ LYS 4 0.332 -6.374 -1.499
38 2HZ LYS 4 2HZ LYS 4 -0.860 -7.551 -1.270
39 3HZ LYS 4 3HZ LYS 4 0.460 -7.468 -0.215
40 H LEU 5 H LEU 5 -3.563 -1.312 -4.308
41 HA LEU 5 HA LEU 5 -1.001 -0.024 -4.813
42 1HB LEU 5 2HB LEU 5 -1.611 0.161 -7.245
43 2HB LEU 5 1HB LEU 5 -1.140 -1.431 -6.684
44 HG LEU 5 HG LEU 5 -3.693 -1.844 -6.444
45 1HD1 LEU 5 1HD1 LEU 5 -4.593 0.299 -6.773
46 2HD1 LEU 5 2HD1 LEU 5 -4.912 -0.564 -8.278
47 3HD1 LEU 5 3HD1 LEU 5 -3.586 0.596 -8.191
48 1HD2 LEU 5 1HD2 LEU 5 -2.660 -3.174 -8.002
49 2HD2 LEU 5 2HD2 LEU 5 -2.026 -1.804 -8.913
50 3HD2 LEU 5 3HD2 LEU 5 -3.732 -2.231 -9.037
51 HA PRO 6 HA PRO 6 -4.665 3.027 -4.952
52 1HB PRO 6 2HB PRO 6 -5.923 3.161 -2.631
53 2HB PRO 6 1HB PRO 6 -6.304 1.852 -3.761
54 1HG PRO 6 2HG PRO 6 -4.566 1.800 -1.321
55 2HG PRO 6 1HG PRO 6 -5.767 0.615 -1.869
56 1HD PRO 6 2HD PRO 6 -3.038 0.408 -2.297
57 2HD PRO 6 1HD PRO 6 -4.293 -0.411 -3.237
58 H ASP 7 H ASP 7 -5.134 4.937 -3.174
59 HA ASP 7 HA ASP 7 -3.183 5.583 -1.303
60 1HB ASP 7 2HB ASP 7 -1.816 7.228 -2.511
61 2HB ASP 7 1HB ASP 7 -1.621 5.610 -3.181
62 H ASP 8 H ASP 8 -5.487 6.689 -3.691
63 HA ASP 8 HA ASP 8 -6.313 8.803 -1.818
64 1HB ASP 8 2HB ASP 8 -5.148 9.274 -4.283
65 2HB ASP 8 1HB ASP 8 -6.870 9.425 -4.616
66 H LYS 9 H LYS 9 -7.278 6.033 -2.395
67 HA LYS 9 HA LYS 9 -10.029 6.701 -3.208
68 1HB LYS 9 2HB LYS 9 -8.919 3.912 -3.255
69 2HB LYS 9 1HB LYS 9 -10.293 4.564 -4.137
70 1HG LYS 9 2HG LYS 9 -7.486 5.486 -4.665
71 2HG LYS 9 1HG LYS 9 -8.178 4.069 -5.458
72 1HD LYS 9 2HD LYS 9 -9.622 5.310 -6.717
73 2HD LYS 9 1HD LYS 9 -9.762 6.581 -5.501
74 1HE LYS 9 2HE LYS 9 -7.563 7.418 -6.079
75 2HE LYS 9 1HE LYS 9 -7.335 6.099 -7.227
76 1HZ LYS 9 1HZ LYS 9 -9.719 7.373 -7.889
77 2HZ LYS 9 2HZ LYS 9 -8.272 7.364 -8.764
78 3HZ LYS 9 3HZ LYS 9 -8.571 8.592 -7.640
79 H VAL 10 H VAL 10 -8.304 4.272 -1.271
80 HA VAL 10 HA VAL 10 -10.242 4.708 0.895
81 HB VAL 10 HB VAL 10 -9.317 2.043 -0.177
82 1HG1 VAL 10 1HG1 VAL 10 -9.196 2.000 2.248
83 2HG1 VAL 10 2HG1 VAL 10 -10.554 1.029 1.681
84 3HG1 VAL 10 3HG1 VAL 10 -10.838 2.633 2.359
85 1HG2 VAL 10 1HG2 VAL 10 -11.664 1.604 -0.508
86 2HG2 VAL 10 2HG2 VAL 10 -11.240 3.118 -1.306
87 3HG2 VAL 10 3HG2 VAL 10 -12.094 3.142 0.237
88 H LEU 11 H LEU 11 -7.057 3.628 -0.101
89 HA LEU 11 HA LEU 11 -5.154 3.157 1.090
90 1HB LEU 11 2HB LEU 11 -4.553 5.209 2.543
91 2HB LEU 11 1HB LEU 11 -4.713 5.399 0.807
92 HG LEU 11 HG LEU 11 -7.072 5.962 2.556
93 1HD1 LEU 11 1HD1 LEU 11 -6.287 7.887 3.400
94 2HD1 LEU 11 2HD1 LEU 11 -5.386 8.275 1.935
95 3HD1 LEU 11 3HD1 LEU 11 -4.699 7.170 3.125
96 1HD2 LEU 11 1HD2 LEU 11 -6.067 7.167 -0.020
97 2HD2 LEU 11 2HD2 LEU 11 -7.592 7.543 0.784
98 3HD2 LEU 11 3HD2 LEU 11 -7.320 5.933 0.118
99 H ILE 12 H ILE 12 -7.020 1.620 2.280
100 HA ILE 12 HA ILE 12 -7.373 2.144 5.048
101 HB ILE 12 HB ILE 12 -7.715 -0.432 5.149
102 1HG1 ILE 12 2HG1 ILE 12 -8.696 -0.771 2.565
103 2HG1 ILE 12 1HG1 ILE 12 -7.103 -0.074 2.348
104 1HG2 ILE 12 1HG2 ILE 12 -9.984 0.053 3.801
105 2HG2 ILE 12 2HG2 ILE 12 -9.430 1.697 4.117
106 3HG2 ILE 12 3HG2 ILE 12 -9.675 0.576 5.457
107 1HD1 ILE 12 1HD1 ILE 12 -6.550 -1.947 4.195
108 2HD1 ILE 12 2HD1 ILE 12 -6.438 -2.205 2.454
109 3HD1 ILE 12 3HD1 ILE 12 -7.881 -2.716 3.330
110 H ARG 13 H ARG 13 -5.707 2.318 6.400
111 HA ARG 13 HA ARG 13 -3.163 1.205 6.029
112 1HB ARG 13 2HB ARG 13 -4.532 2.723 8.068
113 2HB ARG 13 1HB ARG 13 -3.567 1.454 8.810
114 1HG ARG 13 2HG ARG 13 -1.931 2.981 8.699
115 2HG ARG 13 1HG ARG 13 -1.795 2.435 7.026
116 1HD ARG 13 2HD ARG 13 -2.338 4.460 6.295
117 2HD ARG 13 1HD ARG 13 -3.859 4.394 7.185
118 HE ARG 13 HE ARG 13 -1.492 5.835 7.913
119 1HH1 ARG 13 1HH1 ARG 13 -4.349 4.262 9.142
120 2HH1 ARG 13 2HH1 ARG 13 -4.403 5.208 10.592
121 1HH2 ARG 13 1HH2 ARG 13 -1.555 7.083 9.818
122 2HH2 ARG 13 2HH2 ARG 13 -2.814 6.813 10.976
123 H SER 14 H SER 14 -6.098 -0.193 6.991
124 HA SER 14 HA SER 14 -5.800 -2.122 8.744
125 1HB SER 14 2HB SER 14 -7.081 -2.102 6.081
126 2HB SER 14 1HB SER 14 -6.865 -3.686 6.825
127 HG SER 14 HG SER 14 -8.641 -3.161 7.831
128 H ARG 15 H ARG 15 -5.215 -3.328 5.505
129 HA ARG 15 HA ARG 15 -2.510 -3.993 5.822
130 1HB ARG 15 2HB ARG 15 -2.852 -6.517 6.093
131 2HB ARG 15 1HB ARG 15 -3.000 -5.524 7.536
132 1HG ARG 15 2HG ARG 15 -5.268 -5.823 7.683
133 2HG ARG 15 1HG ARG 15 -5.448 -6.151 5.960
134 1HD ARG 15 2HD ARG 15 -4.798 -7.972 8.185
135 2HD ARG 15 1HD ARG 15 -5.694 -8.271 6.700
136 HE ARG 15 HE ARG 15 -3.681 -8.740 5.595
137 1HH1 ARG 15 1HH1 ARG 15 -3.154 -7.902 8.946
138 2HH1 ARG 15 2HH1 ARG 15 -1.562 -8.579 8.992
139 1HH2 ARG 15 1HH2 ARG 15 -1.578 -9.621 5.659
140 2HH2 ARG 15 2HH2 ARG 15 -0.668 -9.552 7.131
141 H SER 16 H SER 16 -4.339 -3.072 3.873
142 HA SER 16 HA SER 16 -3.450 -4.668 1.660
143 1HB SER 16 2HB SER 16 -6.374 -4.467 1.487
144 2HB SER 16 1HB SER 16 -5.309 -5.815 1.089
145 HG SER 16 HG SER 16 -5.787 -6.663 2.939
146 H ASN 17 H ASN 17 -2.911 -2.071 2.215
147 HA ASN 17 HA ASN 17 -3.853 -0.762 -0.133
148 1HB ASN 17 2HB ASN 17 -5.342 -0.412 2.272
149 2HB ASN 17 1HB ASN 17 -4.538 1.103 1.891
150 1HD2 ASN 17 1HD2 ASN 17 -6.243 -1.485 0.161
151 2HD2 ASN 17 2HD2 ASN 17 -7.209 -0.432 -0.812
152 H CYS 18 H CYS 18 -2.697 1.126 -0.611
153 HA CYS 18 HA CYS 18 -0.333 1.549 1.084
154 1HB CYS 18 2HB CYS 18 -0.239 2.651 -1.626
155 2HB CYS 18 1HB CYS 18 0.945 1.685 -0.778
156 HA PRO 19 HA PRO 19 -2.572 5.304 2.205
157 1HB PRO 19 2HB PRO 19 0.135 5.780 3.373
158 2HB PRO 19 1HB PRO 19 -1.461 6.003 4.102
159 1HG PRO 19 2HG PRO 19 0.022 3.893 4.738
160 2HG PRO 19 1HG PRO 19 -1.732 3.736 4.525
161 1HD PRO 19 2HD PRO 19 0.482 2.905 2.709
162 2HD PRO 19 1HD PRO 19 -1.091 2.138 2.998
163 H LYS 20 H LYS 20 -2.482 7.449 1.569
164 HA LYS 20 HA LYS 20 -1.672 8.245 -0.834
165 1HB LYS 20 2HB LYS 20 -1.356 10.566 0.139
166 2HB LYS 20 1HB LYS 20 -2.878 9.774 0.536
167 1HG LYS 20 2HG LYS 20 -1.823 9.038 2.685
168 2HG LYS 20 1HG LYS 20 -0.463 10.090 2.290
169 1HD LYS 20 2HD LYS 20 -2.996 11.469 2.007
170 2HD LYS 20 1HD LYS 20 -2.795 10.808 3.631
171 1HE LYS 20 2HE LYS 20 -0.860 12.047 4.026
172 2HE LYS 20 1HE LYS 20 -0.590 12.347 2.310
173 1HZ LYS 20 1HZ LYS 20 -3.047 13.453 2.879
174 2HZ LYS 20 2HZ LYS 20 -1.599 14.283 2.606
175 3HZ LYS 20 3HZ LYS 20 -2.061 13.889 4.185
176 H GLY 21 H GLY 21 0.154 9.001 -1.875
177 1HA GLY 21 2HA GLY 21 2.425 8.743 -2.365
178 2HA GLY 21 1HA GLY 21 2.520 9.932 -1.073
179 H LYS 22 H LYS 22 2.606 6.479 -1.785
180 HA LYS 22 HA LYS 22 4.411 6.114 0.479
181 1HB LYS 22 2HB LYS 22 3.215 4.312 1.392
182 2HB LYS 22 1HB LYS 22 2.014 5.547 1.103
183 1HG LYS 22 2HG LYS 22 2.523 3.079 -0.525
184 2HG LYS 22 1HG LYS 22 1.110 3.445 0.463
185 1HD LYS 22 2HD LYS 22 0.209 4.185 -1.447
186 2HD LYS 22 1HD LYS 22 1.200 5.598 -1.188
187 1HE LYS 22 2HE LYS 22 1.287 4.393 -3.481
188 2HE LYS 22 1HE LYS 22 2.783 4.949 -2.740
189 1HZ LYS 22 1HZ LYS 22 2.721 2.599 -3.674
190 2HZ LYS 22 2HZ LYS 22 1.804 2.202 -2.314
191 3HZ LYS 22 3HZ LYS 22 3.369 2.805 -2.128
192 H VAL 23 H VAL 23 4.562 3.309 0.232
193 HA VAL 23 HA VAL 23 5.179 2.616 -2.473
194 HB VAL 23 HB VAL 23 7.673 2.233 -1.185
195 1HG1 VAL 23 1HG1 VAL 23 7.314 2.330 -3.570
196 2HG1 VAL 23 2HG1 VAL 23 8.466 3.574 -3.087
197 3HG1 VAL 23 3HG1 VAL 23 6.796 4.010 -3.447
198 1HG2 VAL 23 1HG2 VAL 23 6.793 5.118 -1.176
199 2HG2 VAL 23 2HG2 VAL 23 8.397 4.506 -0.776
200 3HG2 VAL 23 3HG2 VAL 23 7.024 4.126 0.265
201 H TRP 24 H TRP 24 4.739 0.502 -2.624
202 HA TRP 24 HA TRP 24 4.456 -1.124 -0.345
203 1HB TRP 24 2HB TRP 24 3.089 -1.750 -2.088
204 2HB TRP 24 1HB TRP 24 4.346 -1.520 -3.268
205 HD1 TRP 24 HD TRP 24 5.936 -3.601 -3.792
206 HE1 TRP 24 1HE TRP 24 5.665 -6.115 -3.346
207 HE3 TRP 24 3HE TRP 24 2.273 -3.372 -0.284
208 HZ2 TRP 24 2HZ TRP 24 4.091 -7.786 -1.712
209 HZ3 TRP 24 3HZ TRP 24 1.458 -5.478 0.700
210 HH2 TRP 24 HH TRP 24 2.334 -7.632 -0.004
211 H ASN 25 H ASN 25 5.493 -3.262 -0.219
212 HA ASN 25 HA ASN 25 8.302 -3.343 -1.003
213 1HB ASN 25 2HB ASN 25 7.824 -2.249 1.379
214 2HB ASN 25 1HB ASN 25 7.722 -3.940 1.862
215 1HD2 ASN 25 1HD2 ASN 25 9.542 -5.081 2.121
216 2HD2 ASN 25 2HD2 ASN 25 11.133 -4.476 1.821
217 H GLY 26 H GLY 26 9.221 -5.511 0.105
218 1HA GLY 26 2HA GLY 26 8.406 -7.663 -1.180
219 2HA GLY 26 1HA GLY 26 8.932 -7.794 0.486
220 H PHE 27 H PHE 27 6.557 -6.401 1.583
221 HA PHE 27 HA PHE 27 4.268 -7.854 0.723
222 1HB PHE 27 2HB PHE 27 5.978 -9.053 2.708
223 2HB PHE 27 1HB PHE 27 4.383 -8.728 3.379
224 HD1 PHE 27 1HD PHE 27 2.401 -9.387 1.693
225 HD2 PHE 27 2HD PHE 27 6.296 -11.104 1.743
226 HE1 PHE 27 1HE PHE 27 1.522 -11.402 0.591
227 HE2 PHE 27 2HE PHE 27 5.423 -13.122 0.638
228 HZ PHE 27 HZ PHE 27 3.033 -13.274 0.061
229 H ASP 28 H ASP 28 4.530 -5.131 0.979
230 HA ASP 28 HA ASP 28 2.421 -4.525 2.811
231 1HB ASP 28 2HB ASP 28 5.226 -3.926 3.621
232 2HB ASP 28 1HB ASP 28 3.939 -2.813 4.073
233 H CYS 29 H CYS 29 1.514 -2.509 2.437
234 HA CYS 29 HA CYS 29 2.785 -0.965 0.276
235 1HB CYS 29 2HB CYS 29 0.171 -2.050 0.541
236 2HB CYS 29 1HB CYS 29 0.039 -0.294 0.580
237 H LYS 30 H LYS 30 3.949 0.525 1.501
238 HA LYS 30 HA LYS 30 2.438 2.712 2.554
239 1HB LYS 30 2HB LYS 30 4.293 1.786 4.656
240 2HB LYS 30 1HB LYS 30 2.761 2.628 4.796
241 1HG LYS 30 2HG LYS 30 2.763 -0.218 3.964
242 2HG LYS 30 1HG LYS 30 3.057 0.192 5.648
243 1HD LYS 30 2HD LYS 30 0.943 1.003 5.974
244 2HD LYS 30 1HD LYS 30 0.751 1.485 4.288
245 1HE LYS 30 2HE LYS 30 -0.207 -0.458 3.750
246 2HE LYS 30 1HE LYS 30 1.053 -1.385 4.566
247 1HZ LYS 30 1HZ LYS 30 -0.192 -1.610 6.405
248 2HZ LYS 30 2HZ LYS 30 -1.490 -1.285 5.370
249 3HZ LYS 30 3HZ LYS 30 -0.832 -0.045 6.314
250 H SER 31 H SER 31 3.916 4.385 3.515
251 HA SER 31 HA SER 31 5.713 5.273 1.711
252 1HB SER 31 2HB SER 31 6.861 6.492 3.647
253 2HB SER 31 1HB SER 31 5.124 6.751 3.475
254 HG SER 31 HG SER 31 6.328 5.979 5.619
255 HA PRO 32 HA PRO 32 9.333 2.796 2.060
256 1HB PRO 32 2HB PRO 32 11.261 4.444 1.203
257 2HB PRO 32 1HB PRO 32 9.951 3.923 0.137
258 1HG PRO 32 2HG PRO 32 10.341 6.526 1.529
259 2HG PRO 32 1HG PRO 32 9.634 6.196 -0.060
260 1HD PRO 32 2HD PRO 32 8.218 6.668 2.315
261 2HD PRO 32 1HD PRO 32 7.551 5.990 0.819
262 H PHE 33 H PHE 33 8.710 5.022 4.317
263 HA PHE 33 HA PHE 33 11.315 4.891 5.640
264 1HB PHE 33 2HB PHE 33 8.996 6.268 6.895
265 2HB PHE 33 1HB PHE 33 10.693 6.733 6.859
266 HD1 PHE 33 1HD PHE 33 11.453 7.048 4.195
267 HD2 PHE 33 2HD PHE 33 7.639 7.822 5.918
268 HE1 PHE 33 1HE PHE 33 10.969 8.657 2.396
269 HE2 PHE 33 2HE PHE 33 7.149 9.430 4.121
270 HZ PHE 33 HZ PHE 33 8.815 9.848 2.356
271 H ALA 34 H ALA 34 8.375 3.267 5.505
272 HA ALA 34 HA ALA 34 8.620 2.245 8.248
273 1HB ALA 34 1HB ALA 34 6.362 1.684 8.182
274 2HB ALA 34 2HB ALA 34 6.319 1.673 6.419
275 3HB ALA 34 3HB ALA 34 6.429 3.204 7.288
276 H PHE 35 H PHE 35 10.563 1.320 6.567
277 HA PHE 35 HA PHE 35 10.068 -1.506 6.628
278 1HB PHE 35 2HB PHE 35 10.545 -0.169 3.954
279 2HB PHE 35 1HB PHE 35 10.587 -1.906 4.236
280 HD1 PHE 35 1HD PHE 35 8.639 0.650 3.011
281 HD2 PHE 35 2HD PHE 35 8.373 -2.764 5.538
282 HE1 PHE 35 1HE PHE 35 6.219 0.530 2.587
283 HE2 PHE 35 2HE PHE 35 5.950 -2.890 5.119
284 HZ PHE 35 HZ PHE 35 4.871 -1.242 3.643
285 H SER 36 H SER 36 11.895 0.455 7.780
286 HA SER 36 HA SER 36 14.442 0.324 6.589
287 1HB SER 36 2HB SER 36 14.839 1.812 8.212
288 2HB SER 36 1HB SER 36 13.288 1.428 8.955
289 HG SER 36 HG SER 36 15.437 1.065 10.137
Start of MODEL 11
1 1H GLU 1 1HT GLU 1 -5.498 -7.925 -10.652
2 2H GLU 1 2HT GLU 1 -6.809 -8.693 -11.449
3 3H GLU 1 3HT GLU 1 -6.732 -8.681 -9.735
4 HA GLU 1 HA GLU 1 -7.803 -6.785 -11.516
5 1HB GLU 1 2HB GLU 1 -8.986 -6.132 -9.548
6 2HB GLU 1 1HB GLU 1 -8.810 -7.880 -9.478
7 1HG GLU 1 2HG GLU 1 -6.725 -7.390 -8.049
8 2HG GLU 1 1HG GLU 1 -7.421 -5.780 -7.868
9 H LEU 2 H LEU 2 -7.848 -4.429 -10.769
10 HA LEU 2 HA LEU 2 -5.587 -3.105 -11.351
11 1HB LEU 2 2HB LEU 2 -7.754 -2.356 -9.406
12 2HB LEU 2 1HB LEU 2 -6.442 -1.258 -9.788
13 HG LEU 2 HG LEU 2 -7.578 -2.206 -12.234
14 1HD1 LEU 2 1HD1 LEU 2 -9.645 -2.668 -11.281
15 2HD1 LEU 2 2HD1 LEU 2 -9.821 -1.004 -11.841
16 3HD1 LEU 2 3HD1 LEU 2 -9.524 -1.333 -10.134
17 1HD2 LEU 2 1HD2 LEU 2 -6.484 -0.173 -12.316
18 2HD2 LEU 2 2HD2 LEU 2 -7.229 0.407 -10.825
19 3HD2 LEU 2 3HD2 LEU 2 -8.176 0.322 -12.310
20 HA PRO 3 HA PRO 3 -2.744 -4.450 -8.142
21 1HB PRO 3 2HB PRO 3 -1.064 -2.378 -9.440
22 2HB PRO 3 1HB PRO 3 -0.704 -4.076 -9.109
23 1HG PRO 3 2HG PRO 3 -1.232 -3.239 -11.591
24 2HG PRO 3 1HG PRO 3 -1.801 -4.816 -11.011
25 1HD PRO 3 2HD PRO 3 -3.318 -2.262 -11.358
26 2HD PRO 3 1HD PRO 3 -3.832 -3.932 -11.678
27 H LYS 4 H LYS 4 -2.709 -3.711 -6.130
28 HA LYS 4 HA LYS 4 -3.847 -1.682 -4.940
29 1HB LYS 4 2HB LYS 4 -1.087 -2.742 -4.388
30 2HB LYS 4 1HB LYS 4 -1.820 -1.529 -3.350
31 1HG LYS 4 2HG LYS 4 -2.507 -3.342 -2.215
32 2HG LYS 4 1HG LYS 4 -3.812 -3.320 -3.403
33 1HD LYS 4 2HD LYS 4 -2.781 -5.562 -3.093
34 2HD LYS 4 1HD LYS 4 -2.684 -4.963 -4.750
35 1HE LYS 4 2HE LYS 4 -0.592 -6.047 -3.783
36 2HE LYS 4 1HE LYS 4 -0.398 -4.474 -4.556
37 1HZ LYS 4 1HZ LYS 4 -0.794 -4.745 -1.638
38 2HZ LYS 4 2HZ LYS 4 -0.197 -3.415 -2.495
39 3HZ LYS 4 3HZ LYS 4 0.742 -4.812 -2.342
40 H LEU 5 H LEU 5 -3.850 0.491 -4.843
41 HA LEU 5 HA LEU 5 -1.635 2.166 -5.122
42 1HB LEU 5 2HB LEU 5 -2.272 3.180 -7.367
43 2HB LEU 5 1HB LEU 5 -1.429 1.642 -7.392
44 HG LEU 5 HG LEU 5 -3.810 0.612 -7.546
45 1HD1 LEU 5 1HD1 LEU 5 -5.161 2.347 -9.018
46 2HD1 LEU 5 2HD1 LEU 5 -4.305 3.499 -7.995
47 3HD1 LEU 5 3HD1 LEU 5 -5.338 2.270 -7.266
48 1HD2 LEU 5 1HD2 LEU 5 -2.839 2.125 -9.953
49 2HD2 LEU 5 2HD2 LEU 5 -3.643 0.556 -9.893
50 3HD2 LEU 5 3HD2 LEU 5 -1.986 0.722 -9.309
51 HA PRO 6 HA PRO 6 -5.555 4.421 -4.058
52 1HB PRO 6 2HB PRO 6 -6.263 3.482 -1.655
53 2HB PRO 6 1HB PRO 6 -6.621 2.568 -3.125
54 1HG PRO 6 2HG PRO 6 -4.702 1.967 -0.998
55 2HG PRO 6 1HG PRO 6 -5.328 0.905 -2.268
56 1HD PRO 6 2HD PRO 6 -2.835 2.469 -2.210
57 2HD PRO 6 1HD PRO 6 -3.282 1.110 -3.255
58 H ASP 7 H ASP 7 -6.061 5.605 -1.738
59 HA ASP 7 HA ASP 7 -3.985 6.152 0.019
60 1HB ASP 7 2HB ASP 7 -3.318 8.437 -0.780
61 2HB ASP 7 1HB ASP 7 -2.719 7.100 -1.760
62 H ASP 8 H ASP 8 -6.394 8.051 -1.782
63 HA ASP 8 HA ASP 8 -7.509 8.883 0.818
64 1HB ASP 8 2HB ASP 8 -7.157 10.358 -1.762
65 2HB ASP 8 1HB ASP 8 -8.484 10.802 -0.691
66 H LYS 9 H LYS 9 -8.471 6.556 0.181
67 HA LYS 9 HA LYS 9 -11.186 7.134 -0.717
68 1HB LYS 9 2HB LYS 9 -10.013 4.583 -1.684
69 2HB LYS 9 1HB LYS 9 -11.255 5.593 -2.411
70 1HG LYS 9 2HG LYS 9 -8.340 6.330 -2.331
71 2HG LYS 9 1HG LYS 9 -9.105 5.483 -3.677
72 1HD LYS 9 2HD LYS 9 -10.742 7.695 -3.154
73 2HD LYS 9 1HD LYS 9 -9.087 8.297 -3.051
74 1HE LYS 9 2HE LYS 9 -10.000 6.589 -5.342
75 2HE LYS 9 1HE LYS 9 -10.229 8.338 -5.339
76 1HZ LYS 9 1HZ LYS 9 -8.080 7.233 -6.334
77 2HZ LYS 9 2HZ LYS 9 -7.563 7.310 -4.726
78 3HZ LYS 9 3HZ LYS 9 -8.015 8.724 -5.536
79 H VAL 10 H VAL 10 -9.125 4.439 0.351
80 HA VAL 10 HA VAL 10 -10.869 4.000 2.627
81 HB VAL 10 HB VAL 10 -10.500 1.969 0.440
82 1HG1 VAL 10 1HG1 VAL 10 -11.585 1.486 3.209
83 2HG1 VAL 10 2HG1 VAL 10 -10.027 0.917 2.607
84 3HG1 VAL 10 3HG1 VAL 10 -11.523 0.317 1.889
85 1HG2 VAL 10 1HG2 VAL 10 -12.385 3.599 0.309
86 2HG2 VAL 10 2HG2 VAL 10 -12.999 2.932 1.822
87 3HG2 VAL 10 3HG2 VAL 10 -12.891 1.912 0.387
88 H LEU 11 H LEU 11 -7.887 3.276 0.914
89 HA LEU 11 HA LEU 11 -5.963 2.222 1.578
90 1HB LEU 11 2HB LEU 11 -6.192 3.623 4.177
91 2HB LEU 11 1HB LEU 11 -4.830 3.506 3.082
92 HG LEU 11 HG LEU 11 -6.029 5.106 1.556
93 1HD1 LEU 11 1HD1 LEU 11 -7.682 6.512 3.159
94 2HD1 LEU 11 2HD1 LEU 11 -8.015 4.871 3.715
95 3HD1 LEU 11 3HD1 LEU 11 -8.225 5.286 2.013
96 1HD2 LEU 11 1HD2 LEU 11 -5.795 6.966 3.554
97 2HD2 LEU 11 2HD2 LEU 11 -4.472 6.357 2.560
98 3HD2 LEU 11 3HD2 LEU 11 -4.788 5.644 4.142
99 H ILE 12 H ILE 12 -7.400 0.180 1.822
100 HA ILE 12 HA ILE 12 -7.976 -0.669 4.494
101 HB ILE 12 HB ILE 12 -8.143 -2.977 3.342
102 1HG1 ILE 12 2HG1 ILE 12 -8.773 -1.745 0.799
103 2HG1 ILE 12 1HG1 ILE 12 -7.078 -1.545 1.215
104 1HG2 ILE 12 1HG2 ILE 12 -9.913 -0.778 3.564
105 2HG2 ILE 12 2HG2 ILE 12 -10.276 -2.505 3.594
106 3HG2 ILE 12 3HG2 ILE 12 -10.259 -1.634 2.061
107 1HD1 ILE 12 1HD1 ILE 12 -7.887 -3.637 -0.111
108 2HD1 ILE 12 2HD1 ILE 12 -8.315 -4.230 1.495
109 3HD1 ILE 12 3HD1 ILE 12 -6.646 -3.788 1.133
110 H ARG 13 H ARG 13 -6.287 -0.929 5.846
111 HA ARG 13 HA ARG 13 -3.691 -1.665 5.167
112 1HB ARG 13 2HB ARG 13 -5.243 -1.394 7.599
113 2HB ARG 13 1HB ARG 13 -4.156 -2.771 7.703
114 1HG ARG 13 2HG ARG 13 -2.566 -1.341 8.287
115 2HG ARG 13 1HG ARG 13 -2.596 -0.748 6.625
116 1HD ARG 13 2HD ARG 13 -3.657 1.155 7.189
117 2HD ARG 13 1HD ARG 13 -4.694 0.344 8.362
118 HE ARG 13 HE ARG 13 -2.340 1.794 8.927
119 1HH1 ARG 13 1HH1 ARG 13 -4.039 -1.101 9.857
120 2HH1 ARG 13 2HH1 ARG 13 -3.406 -1.111 11.468
121 1HH2 ARG 13 1HH2 ARG 13 -1.496 1.785 11.047
122 2HH2 ARG 13 2HH2 ARG 13 -1.960 0.529 12.144
123 H SER 14 H SER 14 -6.570 -3.484 5.268
124 HA SER 14 HA SER 14 -6.233 -5.989 5.884
125 1HB SER 14 2HB SER 14 -7.315 -4.819 3.365
126 2HB SER 14 1HB SER 14 -7.180 -6.573 3.487
127 HG SER 14 HG SER 14 -8.249 -5.808 5.738
128 H ARG 15 H ARG 15 -5.432 -5.528 2.501
129 HA ARG 15 HA ARG 15 -2.717 -6.243 2.689
130 1HB ARG 15 2HB ARG 15 -3.164 -8.594 1.565
131 2HB ARG 15 1HB ARG 15 -3.115 -8.417 3.315
132 1HG ARG 15 2HG ARG 15 -5.191 -9.158 3.493
133 2HG ARG 15 1HG ARG 15 -5.771 -7.917 2.379
134 1HD ARG 15 2HD ARG 15 -4.743 -10.668 1.721
135 2HD ARG 15 1HD ARG 15 -6.357 -10.017 1.441
136 HE ARG 15 HE ARG 15 -4.680 -8.390 0.014
137 1HH1 ARG 15 1HH1 ARG 15 -5.368 -11.802 0.092
138 2HH1 ARG 15 2HH1 ARG 15 -5.012 -12.043 -1.586
139 1HH2 ARG 15 1HH2 ARG 15 -4.206 -8.700 -2.198
140 2HH2 ARG 15 2HH2 ARG 15 -4.351 -10.283 -2.886
141 H SER 16 H SER 16 -4.408 -4.468 1.276
142 HA SER 16 HA SER 16 -3.275 -4.796 -1.331
143 1HB SER 16 2HB SER 16 -5.439 -6.285 -1.208
144 2HB SER 16 1HB SER 16 -6.262 -4.743 -1.447
145 HG SER 16 HG SER 16 -5.348 -4.540 -3.409
146 H ASN 17 H ASN 17 -2.971 -2.718 0.409
147 HA ASN 17 HA ASN 17 -3.945 -0.537 -1.182
148 1HB ASN 17 2HB ASN 17 -5.284 -1.280 1.277
149 2HB ASN 17 1HB ASN 17 -4.661 0.358 1.344
150 1HD2 ASN 17 1HD2 ASN 17 -6.468 -1.804 -0.799
151 2HD2 ASN 17 2HD2 ASN 17 -7.545 -0.595 -1.404
152 H CYS 18 H CYS 18 -2.981 1.459 -0.687
153 HA CYS 18 HA CYS 18 -0.707 1.425 1.167
154 1HB CYS 18 2HB CYS 18 -0.219 3.011 -1.243
155 2HB CYS 18 1HB CYS 18 0.824 1.849 -0.457
156 HA PRO 19 HA PRO 19 -2.541 5.329 2.261
157 1HB PRO 19 2HB PRO 19 -0.611 6.292 3.861
158 2HB PRO 19 1HB PRO 19 -1.615 4.919 4.343
159 1HG PRO 19 2HG PRO 19 1.173 4.948 3.268
160 2HG PRO 19 1HG PRO 19 0.475 3.950 4.556
161 1HD PRO 19 2HD PRO 19 0.858 3.102 1.963
162 2HD PRO 19 1HD PRO 19 -0.333 2.408 3.078
163 H LYS 20 H LYS 20 -2.510 7.392 1.475
164 HA LYS 20 HA LYS 20 -1.463 8.256 -0.766
165 1HB LYS 20 2HB LYS 20 -1.435 10.559 0.091
166 2HB LYS 20 1HB LYS 20 -2.850 9.674 0.655
167 1HG LYS 20 2HG LYS 20 -1.720 9.259 2.790
168 2HG LYS 20 1HG LYS 20 -0.337 10.197 2.223
169 1HD LYS 20 2HD LYS 20 -2.993 11.500 2.070
170 2HD LYS 20 1HD LYS 20 -2.316 11.259 3.682
171 1HE LYS 20 2HE LYS 20 -0.564 12.396 1.564
172 2HE LYS 20 1HE LYS 20 -1.801 13.434 2.270
173 1HZ LYS 20 1HZ LYS 20 0.061 11.899 3.972
174 2HZ LYS 20 2HZ LYS 20 -0.848 13.269 4.369
175 3HZ LYS 20 3HZ LYS 20 0.493 13.411 3.347
176 H GLY 21 H GLY 21 0.438 8.711 -1.710
177 1HA GLY 21 2HA GLY 21 2.720 8.778 -2.014
178 2HA GLY 21 1HA GLY 21 2.722 9.775 -0.562
179 H LYS 22 H LYS 22 3.015 6.497 -1.801
180 HA LYS 22 HA LYS 22 4.608 5.810 0.508
181 1HB LYS 22 2HB LYS 22 3.305 3.894 1.108
182 2HB LYS 22 1HB LYS 22 2.260 5.304 1.121
183 1HG LYS 22 2HG LYS 22 2.245 2.929 -0.631
184 2HG LYS 22 1HG LYS 22 0.907 3.832 0.072
185 1HD LYS 22 2HD LYS 22 2.594 4.875 -2.197
186 2HD LYS 22 1HD LYS 22 1.130 3.940 -2.438
187 1HE LYS 22 2HE LYS 22 1.218 6.496 -0.855
188 2HE LYS 22 1HE LYS 22 0.830 6.420 -2.566
189 1HZ LYS 22 1HZ LYS 22 -1.087 5.150 -2.118
190 2HZ LYS 22 2HZ LYS 22 -1.109 6.435 -1.017
191 3HZ LYS 22 3HZ LYS 22 -0.638 4.896 -0.510
192 H VAL 23 H VAL 23 4.761 3.113 0.147
193 HA VAL 23 HA VAL 23 5.269 2.423 -2.579
194 HB VAL 23 HB VAL 23 7.801 2.003 -1.334
195 1HG1 VAL 23 1HG1 VAL 23 6.969 2.245 -3.797
196 2HG1 VAL 23 2HG1 VAL 23 8.605 2.732 -3.358
197 3HG1 VAL 23 3HG1 VAL 23 7.343 3.949 -3.542
198 1HG2 VAL 23 1HG2 VAL 23 7.032 4.066 -0.038
199 2HG2 VAL 23 2HG2 VAL 23 7.176 4.930 -1.568
200 3HG2 VAL 23 3HG2 VAL 23 8.591 4.157 -0.854
201 H TRP 24 H TRP 24 4.860 0.312 -2.729
202 HA TRP 24 HA TRP 24 4.516 -1.279 -0.433
203 1HB TRP 24 2HB TRP 24 3.119 -1.869 -2.174
204 2HB TRP 24 1HB TRP 24 4.394 -1.715 -3.356
205 HD1 TRP 24 HD TRP 24 5.969 -3.862 -3.761
206 HE1 TRP 24 1HE TRP 24 5.581 -6.357 -3.279
207 HE3 TRP 24 3HE TRP 24 2.160 -3.423 -0.431
208 HZ2 TRP 24 2HZ TRP 24 3.869 -7.933 -1.684
209 HZ3 TRP 24 3HZ TRP 24 1.219 -5.475 0.554
210 HH2 TRP 24 HH TRP 24 2.042 -7.675 -0.065
211 H ASN 25 H ASN 25 5.460 -3.414 -0.220
212 HA ASN 25 HA ASN 25 8.259 -3.630 -1.009
213 1HB ASN 25 2HB ASN 25 7.913 -2.435 1.303
214 2HB ASN 25 1HB ASN 25 7.591 -4.068 1.882
215 1HD2 ASN 25 1HD2 ASN 25 9.295 -4.995 2.737
216 2HD2 ASN 25 2HD2 ASN 25 10.936 -4.773 2.245
217 H GLY 26 H GLY 26 9.066 -5.798 0.257
218 1HA GLY 26 2HA GLY 26 8.252 -7.957 -0.999
219 2HA GLY 26 1HA GLY 26 8.665 -8.050 0.701
220 H PHE 27 H PHE 27 6.258 -6.561 1.622
221 HA PHE 27 HA PHE 27 4.010 -7.999 0.625
222 1HB PHE 27 2HB PHE 27 5.560 -9.157 2.761
223 2HB PHE 27 1HB PHE 27 3.926 -8.800 3.306
224 HD1 PHE 27 1HD PHE 27 5.997 -11.062 1.496
225 HD2 PHE 27 2HD PHE 27 1.992 -9.680 1.896
226 HE1 PHE 27 1HE PHE 27 5.184 -13.114 0.407
227 HE2 PHE 27 2HE PHE 27 1.172 -11.730 0.809
228 HZ PHE 27 HZ PHE 27 2.768 -13.450 0.064
229 H ASP 28 H ASP 28 4.422 -5.235 0.956
230 HA ASP 28 HA ASP 28 2.099 -4.556 2.475
231 1HB ASP 28 2HB ASP 28 4.780 -4.051 3.696
232 2HB ASP 28 1HB ASP 28 3.431 -2.969 4.020
233 H CYS 29 H CYS 29 1.288 -2.610 1.906
234 HA CYS 29 HA CYS 29 2.841 -1.015 0.001
235 1HB CYS 29 2HB CYS 29 0.184 -1.906 0.020
236 2HB CYS 29 1HB CYS 29 0.111 -0.177 0.338
237 H LYS 30 H LYS 30 4.073 0.354 1.308
238 HA LYS 30 HA LYS 30 2.647 2.513 2.529
239 1HB LYS 30 2HB LYS 30 3.429 0.279 4.128
240 2HB LYS 30 1HB LYS 30 4.334 1.697 4.634
241 1HG LYS 30 2HG LYS 30 2.561 2.210 5.852
242 2HG LYS 30 1HG LYS 30 1.821 2.696 4.331
243 1HD LYS 30 2HD LYS 30 0.536 1.100 5.915
244 2HD LYS 30 1HD LYS 30 0.543 0.774 4.186
245 1HE LYS 30 2HE LYS 30 1.940 -1.044 4.398
246 2HE LYS 30 1HE LYS 30 2.645 -0.459 5.906
247 1HZ LYS 30 1HZ LYS 30 1.193 -1.660 7.041
248 2HZ LYS 30 2HZ LYS 30 0.589 -2.300 5.596
249 3HZ LYS 30 3HZ LYS 30 -0.114 -0.915 6.264
250 H SER 31 H SER 31 3.905 4.305 3.042
251 HA SER 31 HA SER 31 5.972 5.013 1.469
252 1HB SER 31 2HB SER 31 5.964 5.893 4.347
253 2HB SER 31 1HB SER 31 6.372 6.834 2.913
254 HG SER 31 HG SER 31 4.005 6.275 2.387
255 HA PRO 32 HA PRO 32 9.656 2.938 2.662
256 1HB PRO 32 2HB PRO 32 11.572 4.844 2.461
257 2HB PRO 32 1HB PRO 32 10.780 4.132 1.050
258 1HG PRO 32 2HG PRO 32 10.259 6.747 2.398
259 2HG PRO 32 1HG PRO 32 10.298 6.363 0.667
260 1HD PRO 32 2HD PRO 32 7.991 6.628 2.095
261 2HD PRO 32 1HD PRO 32 8.137 5.590 0.666
262 H PHE 33 H PHE 33 8.856 5.853 4.369
263 HA PHE 33 HA PHE 33 10.698 5.963 6.386
264 1HB PHE 33 2HB PHE 33 7.817 6.148 7.148
265 2HB PHE 33 1HB PHE 33 9.159 7.195 7.593
266 HD1 PHE 33 1HD PHE 33 6.194 7.355 6.092
267 HD2 PHE 33 2HD PHE 33 10.273 8.114 5.142
268 HE1 PHE 33 1HE PHE 33 5.488 8.958 4.363
269 HE2 PHE 33 2HE PHE 33 9.575 9.718 3.411
270 HZ PHE 33 HZ PHE 33 7.180 10.142 3.020
271 H ALA 34 H ALA 34 8.200 3.599 5.832
272 HA ALA 34 HA ALA 34 8.991 2.196 8.307
273 1HB ALA 34 1HB ALA 34 6.713 2.669 8.515
274 2HB ALA 34 2HB ALA 34 6.757 0.996 7.962
275 3HB ALA 34 3HB ALA 34 6.387 2.291 6.824
276 H PHE 35 H PHE 35 10.650 1.899 6.168
277 HA PHE 35 HA PHE 35 10.607 -0.920 5.779
278 1HB PHE 35 2HB PHE 35 9.934 0.852 3.429
279 2HB PHE 35 1HB PHE 35 10.578 -0.775 3.236
280 HD1 PHE 35 1HD PHE 35 9.247 -2.528 4.864
281 HD2 PHE 35 2HD PHE 35 7.683 1.036 3.145
282 HE1 PHE 35 1HE PHE 35 6.971 -3.441 5.049
283 HE2 PHE 35 2HE PHE 35 5.405 0.129 3.326
284 HZ PHE 35 HZ PHE 35 5.048 -2.112 4.281
285 H SER 36 H SER 36 11.880 2.211 4.817
286 HA SER 36 HA SER 36 14.026 2.960 4.617
287 1HB SER 36 2HB SER 36 14.325 1.274 6.593
288 2HB SER 36 1HB SER 36 15.116 0.270 5.379
289 HG SER 36 HG SER 36 16.787 1.541 5.446
Start of MODEL 12
1 1H GLU 1 1HT GLU 1 -8.860 -8.711 -2.298
2 2H GLU 1 2HT GLU 1 -8.394 -7.963 -0.825
3 3H GLU 1 3HT GLU 1 -7.450 -9.239 -1.478
4 HA GLU 1 HA GLU 1 -7.488 -7.533 -3.503
5 1HB GLU 1 2HB GLU 1 -8.638 -6.048 -1.606
6 2HB GLU 1 1HB GLU 1 -6.959 -5.750 -1.175
7 1HG GLU 1 2HG GLU 1 -6.565 -4.499 -3.007
8 2HG GLU 1 1HG GLU 1 -7.628 -5.465 -4.028
9 H LEU 2 H LEU 2 -5.721 -8.900 -3.841
10 HA LEU 2 HA LEU 2 -3.495 -8.903 -2.015
11 1HB LEU 2 2HB LEU 2 -4.307 -10.374 -4.399
12 2HB LEU 2 1HB LEU 2 -2.592 -10.018 -4.368
13 HG LEU 2 HG LEU 2 -3.102 -12.225 -3.417
14 1HD1 LEU 2 1HD1 LEU 2 -1.994 -10.131 -1.569
15 2HD1 LEU 2 2HD1 LEU 2 -1.113 -11.231 -2.629
16 3HD1 LEU 2 3HD1 LEU 2 -1.944 -11.855 -1.204
17 1HD2 LEU 2 1HD2 LEU 2 -4.660 -10.635 -1.384
18 2HD2 LEU 2 2HD2 LEU 2 -4.231 -12.337 -1.215
19 3HD2 LEU 2 3HD2 LEU 2 -5.301 -11.823 -2.520
20 HA PRO 3 HA PRO 3 -1.419 -6.384 -5.461
21 1HB PRO 3 2HB PRO 3 -2.709 -5.818 -7.720
22 2HB PRO 3 1HB PRO 3 -2.019 -7.423 -7.440
23 1HG PRO 3 2HG PRO 3 -4.859 -6.513 -7.195
24 2HG PRO 3 1HG PRO 3 -4.220 -8.014 -7.889
25 1HD PRO 3 2HD PRO 3 -5.246 -7.775 -5.335
26 2HD PRO 3 1HD PRO 3 -4.115 -9.040 -5.854
27 H LYS 4 H LYS 4 -2.398 -5.074 -3.443
28 HA LYS 4 HA LYS 4 -4.178 -2.937 -4.231
29 1HB LYS 4 2HB LYS 4 -4.130 -2.249 -1.970
30 2HB LYS 4 1HB LYS 4 -4.114 -4.007 -1.932
31 1HG LYS 4 2HG LYS 4 -1.429 -3.234 -1.982
32 2HG LYS 4 1HG LYS 4 -2.224 -2.140 -0.849
33 1HD LYS 4 2HD LYS 4 -2.384 -3.748 0.677
34 2HD LYS 4 1HD LYS 4 -3.158 -4.833 -0.478
35 1HE LYS 4 2HE LYS 4 -0.947 -5.459 -1.348
36 2HE LYS 4 1HE LYS 4 -0.189 -4.398 -0.164
37 1HZ LYS 4 1HZ LYS 4 -1.873 -6.763 0.470
38 2HZ LYS 4 2HZ LYS 4 -1.123 -5.754 1.601
39 3HZ LYS 4 3HZ LYS 4 -0.184 -6.703 0.563
40 H LEU 5 H LEU 5 -3.624 -0.952 -4.882
41 HA LEU 5 HA LEU 5 -0.950 0.068 -4.404
42 1HB LEU 5 2HB LEU 5 -1.102 0.765 -6.974
43 2HB LEU 5 1HB LEU 5 -0.309 -0.697 -6.418
44 HG LEU 5 HG LEU 5 -2.901 -1.543 -6.781
45 1HD1 LEU 5 1HD1 LEU 5 -3.151 0.806 -7.893
46 2HD1 LEU 5 2HD1 LEU 5 -3.847 -0.622 -8.662
47 3HD1 LEU 5 3HD1 LEU 5 -2.316 0.034 -9.242
48 1HD2 LEU 5 1HD2 LEU 5 -0.566 -2.435 -7.513
49 2HD2 LEU 5 2HD2 LEU 5 -0.949 -1.635 -9.037
50 3HD2 LEU 5 3HD2 LEU 5 -2.007 -2.902 -8.415
51 HA PRO 6 HA PRO 6 -4.380 3.338 -4.923
52 1HB PRO 6 2HB PRO 6 -5.673 3.437 -2.583
53 2HB PRO 6 1HB PRO 6 -6.152 2.306 -3.854
54 1HG PRO 6 2HG PRO 6 -4.577 1.806 -1.366
55 2HG PRO 6 1HG PRO 6 -5.810 0.797 -2.141
56 1HD PRO 6 2HD PRO 6 -3.079 0.424 -2.385
57 2HD PRO 6 1HD PRO 6 -4.304 -0.185 -3.508
58 H ASP 7 H ASP 7 -4.883 5.137 -2.955
59 HA ASP 7 HA ASP 7 -2.853 5.657 -1.120
60 1HB ASP 7 2HB ASP 7 -1.958 7.709 -2.610
61 2HB ASP 7 1HB ASP 7 -1.172 6.134 -2.569
62 H ASP 8 H ASP 8 -5.081 7.132 -3.430
63 HA ASP 8 HA ASP 8 -6.061 8.853 -1.256
64 1HB ASP 8 2HB ASP 8 -5.823 9.800 -4.113
65 2HB ASP 8 1HB ASP 8 -6.219 10.757 -2.689
66 H LYS 9 H LYS 9 -7.008 6.312 -2.446
67 HA LYS 9 HA LYS 9 -9.643 7.242 -3.377
68 1HB LYS 9 2HB LYS 9 -9.477 4.631 -4.222
69 2HB LYS 9 1HB LYS 9 -9.203 6.050 -5.226
70 1HG LYS 9 2HG LYS 9 -6.775 5.907 -4.504
71 2HG LYS 9 1HG LYS 9 -7.169 4.307 -3.873
72 1HD LYS 9 2HD LYS 9 -7.464 5.237 -6.728
73 2HD LYS 9 1HD LYS 9 -6.252 4.115 -6.107
74 1HE LYS 9 2HE LYS 9 -7.656 2.389 -6.228
75 2HE LYS 9 1HE LYS 9 -8.946 3.288 -5.429
76 1HZ LYS 9 1HZ LYS 9 -8.261 3.374 -8.317
77 2HZ LYS 9 2HZ LYS 9 -9.433 4.346 -7.580
78 3HZ LYS 9 3HZ LYS 9 -9.636 2.667 -7.627
79 H VAL 10 H VAL 10 -8.108 4.373 -1.956
80 HA VAL 10 HA VAL 10 -10.388 4.165 -0.096
81 HB VAL 10 HB VAL 10 -8.852 1.965 -1.476
82 1HG1 VAL 10 1HG1 VAL 10 -10.172 0.383 -0.119
83 2HG1 VAL 10 2HG1 VAL 10 -10.768 1.739 0.840
84 3HG1 VAL 10 3HG1 VAL 10 -9.050 1.341 0.848
85 1HG2 VAL 10 1HG2 VAL 10 -11.757 1.820 -1.381
86 2HG2 VAL 10 2HG2 VAL 10 -10.661 1.689 -2.756
87 3HG2 VAL 10 3HG2 VAL 10 -11.167 3.277 -2.180
88 H LEU 11 H LEU 11 -6.975 3.475 -0.621
89 HA LEU 11 HA LEU 11 -5.311 2.903 0.878
90 1HB LEU 11 2HB LEU 11 -4.745 4.859 2.254
91 2HB LEU 11 1HB LEU 11 -5.133 5.282 0.597
92 HG LEU 11 HG LEU 11 -7.520 5.456 2.156
93 1HD1 LEU 11 1HD1 LEU 11 -7.020 6.708 3.971
94 2HD1 LEU 11 2HD1 LEU 11 -5.602 7.437 3.217
95 3HD1 LEU 11 3HD1 LEU 11 -5.509 5.804 3.879
96 1HD2 LEU 11 1HD2 LEU 11 -5.990 7.816 1.162
97 2HD2 LEU 11 2HD2 LEU 11 -7.724 7.498 1.116
98 3HD2 LEU 11 3HD2 LEU 11 -6.644 6.653 0.007
99 H ILE 12 H ILE 12 -7.218 1.254 1.737
100 HA ILE 12 HA ILE 12 -8.031 1.754 4.434
101 HB ILE 12 HB ILE 12 -8.327 -0.850 4.397
102 1HG1 ILE 12 2HG1 ILE 12 -8.888 -0.718 1.553
103 2HG1 ILE 12 1HG1 ILE 12 -7.179 -0.516 1.896
104 1HG2 ILE 12 1HG2 ILE 12 -10.096 0.856 4.468
105 2HG2 ILE 12 2HG2 ILE 12 -10.540 -0.581 3.545
106 3HG2 ILE 12 3HG2 ILE 12 -10.079 0.900 2.705
107 1HD1 ILE 12 1HD1 ILE 12 -6.912 -2.642 2.495
108 2HD1 ILE 12 2HD1 ILE 12 -8.427 -2.895 1.626
109 3HD1 ILE 12 3HD1 ILE 12 -8.439 -2.685 3.377
110 H ARG 13 H ARG 13 -6.423 2.053 5.870
111 HA ARG 13 HA ARG 13 -3.893 0.955 5.881
112 1HB ARG 13 2HB ARG 13 -5.685 2.129 7.922
113 2HB ARG 13 1HB ARG 13 -4.403 1.104 8.548
114 1HG ARG 13 2HG ARG 13 -2.721 2.483 7.593
115 2HG ARG 13 1HG ARG 13 -3.912 3.393 6.663
116 1HD ARG 13 2HD ARG 13 -4.361 4.749 8.380
117 2HD ARG 13 1HD ARG 13 -4.486 3.402 9.510
118 HE ARG 13 HE ARG 13 -2.262 5.138 9.170
119 1HH1 ARG 13 1HH1 ARG 13 -3.124 1.844 9.895
120 2HH1 ARG 13 2HH1 ARG 13 -1.689 1.533 10.814
121 1HH2 ARG 13 1HH2 ARG 13 -0.366 4.741 10.376
122 2HH2 ARG 13 2HH2 ARG 13 -0.120 3.180 11.085
123 H SER 14 H SER 14 -6.913 -0.480 6.604
124 HA SER 14 HA SER 14 -6.782 -2.472 8.258
125 1HB SER 14 2HB SER 14 -7.771 -2.382 5.484
126 2HB SER 14 1HB SER 14 -7.588 -3.995 6.175
127 HG SER 14 HG SER 14 -8.916 -1.926 7.564
128 H ARG 15 H ARG 15 -5.825 -3.607 5.089
129 HA ARG 15 HA ARG 15 -3.171 -4.255 5.677
130 1HB ARG 15 2HB ARG 15 -3.175 -6.467 6.408
131 2HB ARG 15 1HB ARG 15 -4.483 -5.747 7.338
132 1HG ARG 15 2HG ARG 15 -5.621 -6.700 4.946
133 2HG ARG 15 1HG ARG 15 -4.554 -7.968 5.551
134 1HD ARG 15 2HD ARG 15 -5.735 -8.201 7.524
135 2HD ARG 15 1HD ARG 15 -6.422 -6.581 7.423
136 HE ARG 15 HE ARG 15 -7.348 -8.194 5.288
137 1HH1 ARG 15 1HH1 ARG 15 -7.730 -7.674 8.708
138 2HH1 ARG 15 2HH1 ARG 15 -9.360 -8.258 8.748
139 1HH2 ARG 15 1HH2 ARG 15 -9.497 -8.961 5.326
140 2HH2 ARG 15 2HH2 ARG 15 -10.367 -8.985 6.824
141 H SER 16 H SER 16 -4.766 -3.334 3.553
142 HA SER 16 HA SER 16 -3.680 -4.972 1.450
143 1HB SER 16 2HB SER 16 -6.686 -4.689 1.499
144 2HB SER 16 1HB SER 16 -5.710 -5.617 0.361
145 HG SER 16 HG SER 16 -5.010 -6.758 2.414
146 H ASN 17 H ASN 17 -3.188 -2.338 2.116
147 HA ASN 17 HA ASN 17 -3.879 -1.072 -0.370
148 1HB ASN 17 2HB ASN 17 -5.395 -0.530 2.000
149 2HB ASN 17 1HB ASN 17 -4.537 0.917 1.494
150 1HD2 ASN 17 1HD2 ASN 17 -5.742 -1.676 -0.555
151 2HD2 ASN 17 2HD2 ASN 17 -6.878 -0.707 -1.425
152 H CYS 18 H CYS 18 -2.997 1.199 -0.443
153 HA CYS 18 HA CYS 18 -0.537 1.456 1.144
154 1HB CYS 18 2HB CYS 18 -0.358 2.457 -1.614
155 2HB CYS 18 1HB CYS 18 0.800 1.531 -0.685
156 HA PRO 19 HA PRO 19 -2.559 5.363 1.945
157 1HB PRO 19 2HB PRO 19 -0.395 6.469 3.251
158 2HB PRO 19 1HB PRO 19 -1.608 5.434 4.013
159 1HG PRO 19 2HG PRO 19 1.099 4.721 2.960
160 2HG PRO 19 1HG PRO 19 0.300 4.189 4.452
161 1HD PRO 19 2HD PRO 19 0.403 2.605 2.304
162 2HD PRO 19 1HD PRO 19 -1.045 2.661 3.330
163 H LYS 20 H LYS 20 -1.852 7.702 1.749
164 HA LYS 20 HA LYS 20 -1.201 8.289 -0.896
165 1HB LYS 20 2HB LYS 20 -0.906 10.636 -0.022
166 2HB LYS 20 1HB LYS 20 -2.437 9.870 0.390
167 1HG LYS 20 2HG LYS 20 -1.535 9.301 2.601
168 2HG LYS 20 1HG LYS 20 -0.037 10.134 2.184
169 1HD LYS 20 2HD LYS 20 -2.335 11.815 1.691
170 2HD LYS 20 1HD LYS 20 -2.315 11.243 3.360
171 1HE LYS 20 2HE LYS 20 -0.589 12.555 3.891
172 2HE LYS 20 1HE LYS 20 0.310 12.087 2.447
173 1HZ LYS 20 1HZ LYS 20 -1.878 13.768 1.778
174 2HZ LYS 20 2HZ LYS 20 -0.229 13.986 1.469
175 3HZ LYS 20 3HZ LYS 20 -0.892 14.515 2.933
176 H GLY 21 H GLY 21 0.642 8.993 -1.907
177 1HA GLY 21 2HA GLY 21 2.907 8.856 -2.363
178 2HA GLY 21 1HA GLY 21 3.005 9.909 -0.958
179 H LYS 22 H LYS 22 2.098 6.505 -1.187
180 HA LYS 22 HA LYS 22 4.128 5.890 0.816
181 1HB LYS 22 2HB LYS 22 2.791 4.202 1.562
182 2HB LYS 22 1HB LYS 22 1.562 5.267 0.895
183 1HG LYS 22 2HG LYS 22 2.651 2.722 -0.225
184 2HG LYS 22 1HG LYS 22 0.986 3.159 0.141
185 1HD LYS 22 2HD LYS 22 0.675 3.942 -1.930
186 2HD LYS 22 1HD LYS 22 2.073 4.985 -1.786
187 1HE LYS 22 2HE LYS 22 2.114 3.329 -3.683
188 2HE LYS 22 1HE LYS 22 3.531 3.366 -2.646
189 1HZ LYS 22 1HZ LYS 22 3.014 1.119 -3.016
190 2HZ LYS 22 2HZ LYS 22 1.374 1.350 -2.696
191 3HZ LYS 22 3HZ LYS 22 2.497 1.438 -1.440
192 H VAL 23 H VAL 23 4.380 3.180 0.384
193 HA VAL 23 HA VAL 23 5.162 2.613 -2.303
194 HB VAL 23 HB VAL 23 7.569 2.102 -1.209
195 1HG1 VAL 23 1HG1 VAL 23 8.386 3.751 -2.653
196 2HG1 VAL 23 2HG1 VAL 23 6.982 4.790 -2.394
197 3HG1 VAL 23 3HG1 VAL 23 6.824 3.316 -3.348
198 1HG2 VAL 23 1HG2 VAL 23 6.717 4.743 -0.046
199 2HG2 VAL 23 2HG2 VAL 23 8.323 4.020 0.057
200 3HG2 VAL 23 3HG2 VAL 23 6.959 3.261 0.876
201 H TRP 24 H TRP 24 5.119 0.446 -2.625
202 HA TRP 24 HA TRP 24 4.525 -1.224 -0.366
203 1HB TRP 24 2HB TRP 24 3.166 -1.642 -2.201
204 2HB TRP 24 1HB TRP 24 4.506 -1.552 -3.307
205 HD1 TRP 24 HD TRP 24 5.727 -3.798 -3.911
206 HE1 TRP 24 1HE TRP 24 5.258 -6.265 -3.382
207 HE3 TRP 24 3HE TRP 24 2.366 -3.152 -0.169
208 HZ2 TRP 24 2HZ TRP 24 3.657 -7.745 -1.598
209 HZ3 TRP 24 3HZ TRP 24 1.429 -5.150 0.926
210 HH2 TRP 24 HH TRP 24 2.050 -7.392 0.224
211 H ASN 25 H ASN 25 5.457 -3.428 -0.335
212 HA ASN 25 HA ASN 25 8.255 -3.649 -1.087
213 1HB ASN 25 2HB ASN 25 8.907 -2.822 0.927
214 2HB ASN 25 1HB ASN 25 7.320 -3.054 1.645
215 1HD2 ASN 25 1HD2 ASN 25 10.469 -3.977 1.766
216 2HD2 ASN 25 2HD2 ASN 25 10.297 -5.490 2.579
217 H GLY 26 H GLY 26 9.067 -5.890 -0.162
218 1HA GLY 26 2HA GLY 26 8.056 -7.968 -1.399
219 2HA GLY 26 1HA GLY 26 8.644 -8.157 0.241
220 H PHE 27 H PHE 27 6.441 -6.659 1.488
221 HA PHE 27 HA PHE 27 4.003 -7.902 0.715
222 1HB PHE 27 2HB PHE 27 5.714 -9.347 2.485
223 2HB PHE 27 1HB PHE 27 4.284 -8.834 3.375
224 HD1 PHE 27 1HD PHE 27 2.077 -9.055 1.698
225 HD2 PHE 27 2HD PHE 27 5.558 -11.501 1.729
226 HE1 PHE 27 1HE PHE 27 0.788 -10.894 0.696
227 HE2 PHE 27 2HE PHE 27 4.278 -13.346 0.727
228 HZ PHE 27 HZ PHE 27 1.888 -13.044 0.209
229 H ASP 28 H ASP 28 4.510 -5.230 1.008
230 HA ASP 28 HA ASP 28 2.593 -4.496 3.016
231 1HB ASP 28 2HB ASP 28 5.500 -4.075 3.552
232 2HB ASP 28 1HB ASP 28 4.314 -2.925 4.161
233 H CYS 29 H CYS 29 1.608 -2.669 2.408
234 HA CYS 29 HA CYS 29 2.896 -1.053 0.322
235 1HB CYS 29 2HB CYS 29 0.268 -2.116 0.665
236 2HB CYS 29 1HB CYS 29 0.172 -0.359 0.685
237 H LYS 30 H LYS 30 4.093 0.401 1.576
238 HA LYS 30 HA LYS 30 2.574 2.503 2.791
239 1HB LYS 30 2HB LYS 30 3.444 0.353 4.414
240 2HB LYS 30 1HB LYS 30 4.407 1.759 4.836
241 1HG LYS 30 2HG LYS 30 2.671 2.112 6.215
242 2HG LYS 30 1HG LYS 30 2.063 2.943 4.788
243 1HD LYS 30 2HD LYS 30 0.506 1.317 6.079
244 2HD LYS 30 1HD LYS 30 0.520 1.288 4.320
245 1HE LYS 30 2HE LYS 30 1.725 -0.709 4.243
246 2HE LYS 30 1HE LYS 30 2.311 -0.527 5.895
247 1HZ LYS 30 1HZ LYS 30 0.602 -1.710 6.619
248 2HZ LYS 30 2HZ LYS 30 0.091 -1.954 5.026
249 3HZ LYS 30 3HZ LYS 30 -0.503 -0.642 5.911
250 H SER 31 H SER 31 3.724 4.388 3.178
251 HA SER 31 HA SER 31 5.661 5.199 1.528
252 1HB SER 31 2HB SER 31 6.403 6.603 3.766
253 2HB SER 31 1HB SER 31 5.060 7.026 2.703
254 HG SER 31 HG SER 31 4.343 6.922 4.834
255 HA PRO 32 HA PRO 32 9.629 3.565 2.384
256 1HB PRO 32 2HB PRO 32 10.851 6.231 2.432
257 2HB PRO 32 1HB PRO 32 11.057 4.930 1.257
258 1HG PRO 32 2HG PRO 32 9.719 7.193 0.667
259 2HG PRO 32 1HG PRO 32 9.268 5.622 -0.021
260 1HD PRO 32 2HD PRO 32 8.020 7.127 2.249
261 2HD PRO 32 1HD PRO 32 7.238 6.223 0.936
262 H PHE 33 H PHE 33 8.184 5.727 4.517
263 HA PHE 33 HA PHE 33 10.199 6.079 6.455
264 1HB PHE 33 2HB PHE 33 7.330 5.767 7.246
265 2HB PHE 33 1HB PHE 33 8.522 6.935 7.811
266 HD1 PHE 33 1HD PHE 33 5.617 7.398 6.839
267 HD2 PHE 33 2HD PHE 33 9.419 7.710 4.952
268 HE1 PHE 33 1HE PHE 33 4.702 9.067 5.279
269 HE2 PHE 33 2HE PHE 33 8.513 9.379 3.389
270 HZ PHE 33 HZ PHE 33 6.151 10.060 3.551
271 H ALA 34 H ALA 34 8.227 3.458 5.512
272 HA ALA 34 HA ALA 34 8.653 1.882 7.905
273 1HB ALA 34 1HB ALA 34 7.176 0.336 6.969
274 2HB ALA 34 2HB ALA 34 7.482 0.905 5.328
275 3HB ALA 34 3HB ALA 34 6.550 1.900 6.447
276 H PHE 35 H PHE 35 8.805 -0.543 6.249
277 HA PHE 35 HA PHE 35 11.107 -1.642 6.469
278 1HB PHE 35 2HB PHE 35 10.781 -1.886 3.653
279 2HB PHE 35 1HB PHE 35 10.309 -3.027 4.907
280 HD1 PHE 35 1HD PHE 35 9.177 -0.675 2.442
281 HD2 PHE 35 2HD PHE 35 8.021 -2.806 5.940
282 HE1 PHE 35 1HE PHE 35 6.810 -0.285 1.895
283 HE2 PHE 35 2HE PHE 35 5.653 -2.423 5.397
284 HZ PHE 35 HZ PHE 35 5.045 -1.160 3.373
285 H SER 36 H SER 36 12.748 -0.066 6.856
286 HA SER 36 HA SER 36 13.683 1.713 4.856
287 1HB SER 36 2HB SER 36 14.102 1.983 7.309
288 2HB SER 36 1HB SER 36 15.229 0.631 7.223
289 HG SER 36 HG SER 36 15.618 3.218 6.573
Start of MODEL 13
1 1H GLU 1 1HT GLU 1 -3.877 -12.098 -6.805
2 2H GLU 1 2HT GLU 1 -2.264 -11.633 -7.159
3 3H GLU 1 3HT GLU 1 -3.554 -11.089 -8.152
4 HA GLU 1 HA GLU 1 -4.467 -10.030 -6.088
5 1HB GLU 1 2HB GLU 1 -2.642 -11.424 -4.796
6 2HB GLU 1 1HB GLU 1 -1.610 -10.056 -5.193
7 1HG GLU 1 2HG GLU 1 -4.217 -9.349 -4.050
8 2HG GLU 1 1HG GLU 1 -3.143 -10.242 -2.973
9 H LEU 2 H LEU 2 -4.799 -8.222 -7.216
10 HA LEU 2 HA LEU 2 -2.876 -7.038 -8.931
11 1HB LEU 2 2HB LEU 2 -5.607 -6.381 -7.984
12 2HB LEU 2 1HB LEU 2 -4.643 -5.043 -8.581
13 HG LEU 2 HG LEU 2 -4.798 -7.479 -10.278
14 1HD1 LEU 2 1HD1 LEU 2 -6.949 -7.255 -10.941
15 2HD1 LEU 2 2HD1 LEU 2 -6.981 -5.518 -10.631
16 3HD1 LEU 2 3HD1 LEU 2 -7.143 -6.656 -9.294
17 1HD2 LEU 2 1HD2 LEU 2 -3.843 -6.078 -11.707
18 2HD2 LEU 2 2HD2 LEU 2 -3.926 -4.788 -10.507
19 3HD2 LEU 2 3HD2 LEU 2 -5.260 -5.030 -11.635
20 HA PRO 3 HA PRO 3 -0.479 -4.781 -5.966
21 1HB PRO 3 2HB PRO 3 0.586 -2.949 -7.701
22 2HB PRO 3 1HB PRO 3 1.178 -4.604 -7.534
23 1HG PRO 3 2HG PRO 3 -0.663 -3.446 -9.587
24 2HG PRO 3 1HG PRO 3 0.664 -4.603 -9.797
25 1HD PRO 3 2HD PRO 3 -1.916 -5.379 -9.749
26 2HD PRO 3 1HD PRO 3 -0.616 -6.392 -9.090
27 H LYS 4 H LYS 4 -1.906 -3.709 -4.644
28 HA LYS 4 HA LYS 4 -3.603 -1.614 -5.528
29 1HB LYS 4 2HB LYS 4 -3.841 -1.171 -3.036
30 2HB LYS 4 1HB LYS 4 -4.294 -2.777 -3.593
31 1HG LYS 4 2HG LYS 4 -1.497 -2.551 -2.774
32 2HG LYS 4 1HG LYS 4 -2.658 -2.239 -1.482
33 1HD LYS 4 2HD LYS 4 -3.714 -4.368 -1.845
34 2HD LYS 4 1HD LYS 4 -2.723 -4.664 -3.273
35 1HE LYS 4 2HE LYS 4 -1.554 -4.261 -0.530
36 2HE LYS 4 1HE LYS 4 -2.013 -5.847 -1.149
37 1HZ LYS 4 1HZ LYS 4 -0.526 -5.267 -3.112
38 2HZ LYS 4 2HZ LYS 4 0.238 -5.644 -1.650
39 3HZ LYS 4 3HZ LYS 4 0.097 -4.031 -2.139
40 H LEU 5 H LEU 5 -3.443 0.585 -5.308
41 HA LEU 5 HA LEU 5 -1.084 1.795 -4.149
42 1HB LEU 5 2HB LEU 5 -1.155 3.128 -6.547
43 2HB LEU 5 1HB LEU 5 0.017 1.906 -6.092
44 HG LEU 5 HG LEU 5 -1.684 0.222 -7.086
45 1HD1 LEU 5 1HD1 LEU 5 -2.816 1.472 -9.096
46 2HD1 LEU 5 2HD1 LEU 5 -2.757 2.846 -7.994
47 3HD1 LEU 5 3HD1 LEU 5 -3.612 1.378 -7.525
48 1HD2 LEU 5 1HD2 LEU 5 0.223 0.254 -8.303
49 2HD2 LEU 5 2HD2 LEU 5 0.245 2.012 -8.431
50 3HD2 LEU 5 3HD2 LEU 5 -0.818 1.066 -9.472
51 HA PRO 6 HA PRO 6 -5.090 4.348 -4.366
52 1HB PRO 6 2HB PRO 6 -6.422 3.635 -2.176
53 2HB PRO 6 1HB PRO 6 -6.505 2.649 -3.641
54 1HG PRO 6 2HG PRO 6 -4.807 2.245 -1.197
55 2HG PRO 6 1HG PRO 6 -5.802 1.062 -2.066
56 1HD PRO 6 2HD PRO 6 -3.112 1.319 -2.439
57 2HD PRO 6 1HD PRO 6 -4.229 0.754 -3.697
58 H ASP 7 H ASP 7 -5.815 6.024 -2.777
59 HA ASP 7 HA ASP 7 -4.560 6.557 -0.358
60 1HB ASP 7 2HB ASP 7 -3.035 8.434 -1.079
61 2HB ASP 7 1HB ASP 7 -2.467 6.812 -1.462
62 H ASP 8 H ASP 8 -6.128 7.697 0.550
63 HA ASP 8 HA ASP 8 -6.856 10.275 -0.255
64 1HB ASP 8 2HB ASP 8 -7.973 8.856 -2.077
65 2HB ASP 8 1HB ASP 8 -9.078 8.317 -0.816
66 H LYS 9 H LYS 9 -6.182 8.876 2.128
67 HA LYS 9 HA LYS 9 -6.806 8.565 4.293
68 1HB LYS 9 2HB LYS 9 -8.664 10.860 3.685
69 2HB LYS 9 1HB LYS 9 -7.987 10.428 5.251
70 1HG LYS 9 2HG LYS 9 -5.863 10.812 3.385
71 2HG LYS 9 1HG LYS 9 -6.946 12.205 3.334
72 1HD LYS 9 2HD LYS 9 -5.664 11.040 5.806
73 2HD LYS 9 1HD LYS 9 -5.175 12.525 4.988
74 1HE LYS 9 2HE LYS 9 -6.842 13.719 5.907
75 2HE LYS 9 1HE LYS 9 -8.015 12.420 5.703
76 1HZ LYS 9 1HZ LYS 9 -7.753 12.709 8.005
77 2HZ LYS 9 2HZ LYS 9 -6.067 12.783 7.903
78 3HZ LYS 9 3HZ LYS 9 -6.864 11.316 7.637
79 H VAL 10 H VAL 10 -8.388 7.211 2.161
80 HA VAL 10 HA VAL 10 -10.719 6.496 3.808
81 HB VAL 10 HB VAL 10 -10.629 6.936 0.829
82 1HG1 VAL 10 1HG1 VAL 10 -11.903 5.041 0.824
83 2HG1 VAL 10 2HG1 VAL 10 -13.158 6.235 1.156
84 3HG1 VAL 10 3HG1 VAL 10 -12.473 5.286 2.475
85 1HG2 VAL 10 1HG2 VAL 10 -12.893 8.063 2.166
86 2HG2 VAL 10 2HG2 VAL 10 -11.611 8.878 1.269
87 3HG2 VAL 10 3HG2 VAL 10 -11.417 8.559 2.993
88 H LEU 11 H LEU 11 -7.877 5.522 2.617
89 HA LEU 11 HA LEU 11 -8.294 3.068 1.369
90 1HB LEU 11 2HB LEU 11 -5.993 3.686 3.203
91 2HB LEU 11 1HB LEU 11 -6.004 2.627 1.807
92 HG LEU 11 HG LEU 11 -6.631 5.468 1.281
93 1HD1 LEU 11 1HD1 LEU 11 -3.820 5.260 1.204
94 2HD1 LEU 11 2HD1 LEU 11 -4.337 4.753 2.813
95 3HD1 LEU 11 3HD1 LEU 11 -4.810 6.335 2.191
96 1HD2 LEU 11 1HD2 LEU 11 -6.114 4.851 -0.782
97 2HD2 LEU 11 2HD2 LEU 11 -6.009 3.198 -0.180
98 3HD2 LEU 11 3HD2 LEU 11 -4.560 4.198 -0.270
99 H ILE 12 H ILE 12 -7.044 1.105 2.653
100 HA ILE 12 HA ILE 12 -8.380 0.746 5.232
101 HB ILE 12 HB ILE 12 -8.487 -1.774 4.161
102 1HG1 ILE 12 2HG1 ILE 12 -10.081 -0.713 2.081
103 2HG1 ILE 12 1HG1 ILE 12 -8.498 0.041 1.935
104 1HG2 ILE 12 1HG2 ILE 12 -10.614 -1.660 4.815
105 2HG2 ILE 12 2HG2 ILE 12 -10.946 -0.224 3.848
106 3HG2 ILE 12 3HG2 ILE 12 -10.154 -0.067 5.417
107 1HD1 ILE 12 1HD1 ILE 12 -8.173 -1.828 0.685
108 2HD1 ILE 12 2HD1 ILE 12 -9.274 -2.805 1.657
109 3HD1 ILE 12 3HD1 ILE 12 -7.661 -2.426 2.262
110 H ARG 13 H ARG 13 -6.732 0.448 6.595
111 HA ARG 13 HA ARG 13 -4.184 -0.474 5.958
112 1HB ARG 13 2HB ARG 13 -5.740 -0.036 8.400
113 2HB ARG 13 1HB ARG 13 -4.570 -1.337 8.557
114 1HG ARG 13 2HG ARG 13 -2.930 0.122 8.812
115 2HG ARG 13 1HG ARG 13 -3.326 0.889 7.273
116 1HD ARG 13 2HD ARG 13 -4.855 2.378 8.313
117 2HD ARG 13 1HD ARG 13 -4.811 1.474 9.825
118 HE ARG 13 HE ARG 13 -2.297 2.631 8.944
119 1HH1 ARG 13 1HH1 ARG 13 -5.127 2.925 10.959
120 2HH1 ARG 13 2HH1 ARG 13 -4.397 4.067 12.037
121 1HH2 ARG 13 1HH2 ARG 13 -1.329 4.132 10.359
122 2HH2 ARG 13 2HH2 ARG 13 -2.239 4.753 11.695
123 H SER 14 H SER 14 -7.160 -2.103 6.290
124 HA SER 14 HA SER 14 -7.124 -4.528 7.053
125 1HB SER 14 2HB SER 14 -7.637 -3.797 4.178
126 2HB SER 14 1HB SER 14 -8.059 -5.364 4.872
127 HG SER 14 HG SER 14 -9.191 -3.947 6.520
128 H ARG 15 H ARG 15 -5.998 -4.617 3.766
129 HA ARG 15 HA ARG 15 -3.366 -5.432 4.213
130 1HB ARG 15 2HB ARG 15 -3.630 -7.894 3.752
131 2HB ARG 15 1HB ARG 15 -4.177 -7.372 5.340
132 1HG ARG 15 2HG ARG 15 -6.450 -7.531 4.716
133 2HG ARG 15 1HG ARG 15 -6.040 -7.705 3.008
134 1HD ARG 15 2HD ARG 15 -5.383 -9.682 5.188
135 2HD ARG 15 1HD ARG 15 -6.688 -9.845 4.014
136 HE ARG 15 HE ARG 15 -4.070 -9.514 2.853
137 1HH1 ARG 15 1HH1 ARG 15 -6.444 -11.767 4.039
138 2HH1 ARG 15 2HH1 ARG 15 -5.813 -13.106 3.139
139 1HH2 ARG 15 1HH2 ARG 15 -3.229 -11.269 1.664
140 2HH2 ARG 15 2HH2 ARG 15 -3.983 -12.823 1.788
141 H SER 16 H SER 16 -4.914 -3.901 2.433
142 HA SER 16 HA SER 16 -3.712 -4.690 -0.025
143 1HB SER 16 2HB SER 16 -6.510 -4.565 -0.708
144 2HB SER 16 1HB SER 16 -5.340 -5.841 -1.049
145 HG SER 16 HG SER 16 -5.829 -6.793 0.896
146 H ASN 17 H ASN 17 -3.491 -2.391 1.404
147 HA ASN 17 HA ASN 17 -4.382 -0.447 -0.520
148 1HB ASN 17 2HB ASN 17 -5.840 -0.853 1.937
149 2HB ASN 17 1HB ASN 17 -5.137 0.759 1.901
150 1HD2 ASN 17 1HD2 ASN 17 -6.262 -1.200 -0.801
151 2HD2 ASN 17 2HD2 ASN 17 -7.514 -0.119 -1.302
152 H CYS 18 H CYS 18 -3.089 1.337 -0.569
153 HA CYS 18 HA CYS 18 -0.906 1.416 1.409
154 1HB CYS 18 2HB CYS 18 -0.382 2.786 -1.126
155 2HB CYS 18 1HB CYS 18 0.606 1.626 -0.256
156 HA PRO 19 HA PRO 19 -2.420 5.352 2.696
157 1HB PRO 19 2HB PRO 19 0.060 6.434 3.384
158 2HB PRO 19 1HB PRO 19 -0.982 5.483 4.444
159 1HG PRO 19 2HG PRO 19 1.403 4.647 2.883
160 2HG PRO 19 1HG PRO 19 0.842 4.088 4.465
161 1HD PRO 19 2HD PRO 19 0.528 2.624 2.230
162 2HD PRO 19 1HD PRO 19 -0.661 2.604 3.546
163 H LYS 20 H LYS 20 -0.916 7.723 2.516
164 HA LYS 20 HA LYS 20 -1.226 8.311 -0.306
165 1HB LYS 20 2HB LYS 20 -0.760 10.648 0.433
166 2HB LYS 20 1HB LYS 20 -2.111 9.900 1.281
167 1HG LYS 20 2HG LYS 20 -0.851 9.577 3.230
168 2HG LYS 20 1HG LYS 20 0.671 9.890 2.394
169 1HD LYS 20 2HD LYS 20 0.262 12.194 2.268
170 2HD LYS 20 1HD LYS 20 -1.461 11.996 2.595
171 1HE LYS 20 2HE LYS 20 0.287 10.987 4.715
172 2HE LYS 20 1HE LYS 20 0.420 12.724 4.437
173 1HZ LYS 20 1HZ LYS 20 -1.947 12.941 4.744
174 2HZ LYS 20 2HZ LYS 20 -1.277 12.165 6.090
175 3HZ LYS 20 3HZ LYS 20 -2.121 11.269 4.930
176 H GLY 21 H GLY 21 0.414 8.926 -1.697
177 1HA GLY 21 2HA GLY 21 2.562 8.630 -2.561
178 2HA GLY 21 1HA GLY 21 2.936 9.787 -1.287
179 H LYS 22 H LYS 22 2.170 6.334 -1.514
180 HA LYS 22 HA LYS 22 4.236 5.799 0.482
181 1HB LYS 22 2HB LYS 22 2.914 3.479 0.343
182 2HB LYS 22 1HB LYS 22 2.377 4.822 1.340
183 1HG LYS 22 2HG LYS 22 0.552 3.847 0.053
184 2HG LYS 22 1HG LYS 22 0.844 5.531 -0.379
185 1HD LYS 22 2HD LYS 22 0.479 4.253 -2.390
186 2HD LYS 22 1HD LYS 22 2.164 4.769 -2.329
187 1HE LYS 22 2HE LYS 22 2.125 2.307 -1.035
188 2HE LYS 22 1HE LYS 22 1.058 2.113 -2.421
189 1HZ LYS 22 1HZ LYS 22 3.535 3.452 -3.010
190 2HZ LYS 22 2HZ LYS 22 2.745 2.213 -3.843
191 3HZ LYS 22 3HZ LYS 22 3.707 1.848 -2.504
192 H VAL 23 H VAL 23 4.619 3.134 0.061
193 HA VAL 23 HA VAL 23 5.390 2.539 -2.615
194 HB VAL 23 HB VAL 23 7.806 2.131 -1.544
195 1HG1 VAL 23 1HG1 VAL 23 8.316 3.371 -3.318
196 2HG1 VAL 23 2HG1 VAL 23 7.729 4.825 -2.509
197 3HG1 VAL 23 3HG1 VAL 23 6.615 3.821 -3.437
198 1HG2 VAL 23 1HG2 VAL 23 7.453 4.861 -0.534
199 2HG2 VAL 23 2HG2 VAL 23 8.425 3.534 0.101
200 3HG2 VAL 23 3HG2 VAL 23 6.696 3.602 0.441
201 H TRP 24 H TRP 24 4.855 0.408 -2.721
202 HA TRP 24 HA TRP 24 4.552 -1.177 -0.424
203 1HB TRP 24 2HB TRP 24 3.181 -1.796 -2.183
204 2HB TRP 24 1HB TRP 24 4.480 -1.671 -3.340
205 HD1 TRP 24 HD TRP 24 5.934 -3.830 -3.796
206 HE1 TRP 24 1HE TRP 24 5.605 -6.306 -3.206
207 HE3 TRP 24 3HE TRP 24 2.371 -3.312 -0.219
208 HZ2 TRP 24 2HZ TRP 24 4.028 -7.840 -1.453
209 HZ3 TRP 24 3HZ TRP 24 1.520 -5.336 0.894
210 HH2 TRP 24 HH TRP 24 2.318 -7.548 0.286
211 H ASN 25 H ASN 25 5.554 -3.301 -0.194
212 HA ASN 25 HA ASN 25 8.378 -3.456 -0.933
213 1HB ASN 25 2HB ASN 25 8.069 -2.230 1.310
214 2HB ASN 25 1HB ASN 25 7.546 -3.783 1.950
215 1HD2 ASN 25 1HD2 ASN 25 9.083 -4.795 2.991
216 2HD2 ASN 25 2HD2 ASN 25 10.768 -4.772 2.611
217 H GLY 26 H GLY 26 9.243 -5.629 0.183
218 1HA GLY 26 2HA GLY 26 8.350 -7.791 -1.035
219 2HA GLY 26 1HA GLY 26 8.903 -7.895 0.625
220 H PHE 27 H PHE 27 6.591 -6.391 1.717
221 HA PHE 27 HA PHE 27 4.253 -7.821 0.964
222 1HB PHE 27 2HB PHE 27 4.248 -8.625 3.555
223 2HB PHE 27 1HB PHE 27 4.722 -9.638 2.197
224 HD1 PHE 27 1HD PHE 27 6.498 -6.854 3.904
225 HD2 PHE 27 2HD PHE 27 6.438 -10.996 2.930
226 HE1 PHE 27 1HE PHE 27 8.735 -7.112 4.891
227 HE2 PHE 27 2HE PHE 27 8.678 -11.264 3.916
228 HZ PHE 27 HZ PHE 27 9.828 -9.321 4.900
229 H ASP 28 H ASP 28 4.613 -5.068 1.092
230 HA ASP 28 HA ASP 28 2.528 -4.338 2.908
231 1HB ASP 28 2HB ASP 28 5.347 -3.801 3.705
232 2HB ASP 28 1HB ASP 28 4.097 -2.630 4.113
233 H CYS 29 H CYS 29 1.493 -2.637 2.101
234 HA CYS 29 HA CYS 29 2.841 -1.017 0.063
235 1HB CYS 29 2HB CYS 29 0.380 -2.235 0.097
236 2HB CYS 29 1HB CYS 29 0.000 -0.572 0.523
237 H LYS 30 H LYS 30 3.964 0.515 1.308
238 HA LYS 30 HA LYS 30 2.388 2.711 2.213
239 1HB LYS 30 2HB LYS 30 4.036 2.136 4.504
240 2HB LYS 30 1HB LYS 30 2.328 2.528 4.425
241 1HG LYS 30 2HG LYS 30 3.018 -0.212 3.650
242 2HG LYS 30 1HG LYS 30 3.332 0.210 5.330
243 1HD LYS 30 2HD LYS 30 1.109 0.606 5.795
244 2HD LYS 30 1HD LYS 30 0.708 0.953 4.114
245 1HE LYS 30 2HE LYS 30 0.570 -1.283 3.547
246 2HE LYS 30 1HE LYS 30 1.614 -1.789 4.874
247 1HZ LYS 30 1HZ LYS 30 -0.128 -1.488 6.419
248 2HZ LYS 30 2HZ LYS 30 -0.798 -2.347 5.125
249 3HZ LYS 30 3HZ LYS 30 -1.109 -0.693 5.292
250 H SER 31 H SER 31 3.738 4.444 3.171
251 HA SER 31 HA SER 31 5.668 5.286 1.482
252 1HB SER 31 2HB SER 31 6.564 6.390 3.840
253 2HB SER 31 1HB SER 31 5.275 7.044 2.832
254 HG SER 31 HG SER 31 5.107 6.106 5.309
255 HA PRO 32 HA PRO 32 9.475 3.249 2.172
256 1HB PRO 32 2HB PRO 32 11.318 5.211 2.100
257 2HB PRO 32 1HB PRO 32 10.390 4.742 0.669
258 1HG PRO 32 2HG PRO 32 9.959 7.041 2.540
259 2HG PRO 32 1HG PRO 32 9.877 7.011 0.769
260 1HD PRO 32 2HD PRO 32 7.672 6.914 2.364
261 2HD PRO 32 1HD PRO 32 7.742 6.162 0.758
262 H PHE 33 H PHE 33 8.282 5.297 4.513
263 HA PHE 33 HA PHE 33 10.520 5.135 6.318
264 1HB PHE 33 2HB PHE 33 7.913 5.769 7.483
265 2HB PHE 33 1HB PHE 33 9.423 6.669 7.541
266 HD1 PHE 33 1HD PHE 33 6.216 7.130 6.787
267 HD2 PHE 33 2HD PHE 33 9.995 7.399 4.847
268 HE1 PHE 33 1HE PHE 33 5.284 8.773 5.210
269 HE2 PHE 33 2HE PHE 33 9.069 9.042 3.264
270 HZ PHE 33 HZ PHE 33 6.711 9.731 3.446
271 H ALA 34 H ALA 34 8.124 3.009 5.330
272 HA ALA 34 HA ALA 34 8.174 1.582 7.901
273 1HB ALA 34 1HB ALA 34 6.290 0.260 6.476
274 2HB ALA 34 2HB ALA 34 6.138 1.885 5.807
275 3HB ALA 34 3HB ALA 34 5.955 1.624 7.542
276 H PHE 35 H PHE 35 10.370 1.517 6.093
277 HA PHE 35 HA PHE 35 10.606 -1.366 5.828
278 1HB PHE 35 2HB PHE 35 11.394 0.295 3.446
279 2HB PHE 35 1HB PHE 35 11.183 -1.448 3.549
280 HD1 PHE 35 1HD PHE 35 8.682 -2.122 4.311
281 HD2 PHE 35 2HD PHE 35 9.811 1.443 2.288
282 HE1 PHE 35 1HE PHE 35 6.389 -1.891 3.452
283 HE2 PHE 35 2HE PHE 35 7.520 1.686 1.426
284 HZ PHE 35 HZ PHE 35 5.804 0.018 2.009
285 H SER 36 H SER 36 11.762 0.947 7.366
286 HA SER 36 HA SER 36 14.427 0.015 7.484
287 1HB SER 36 2HB SER 36 15.421 1.258 5.906
288 2HB SER 36 1HB SER 36 13.912 2.105 5.562
289 HG SER 36 HG SER 36 16.039 3.103 6.685
Start of MODEL 14
1 1H GLU 1 1HT GLU 1 -4.435 -11.986 -2.985
2 2H GLU 1 2HT GLU 1 -4.154 -12.629 -1.419
3 3H GLU 1 3HT GLU 1 -2.845 -12.022 -2.347
4 HA GLU 1 HA GLU 1 -4.750 -10.666 -0.706
5 1HB GLU 1 2HB GLU 1 -2.085 -9.830 -1.859
6 2HB GLU 1 1HB GLU 1 -2.882 -9.167 -0.438
7 1HG GLU 1 2HG GLU 1 -1.547 -11.827 -0.766
8 2HG GLU 1 1HG GLU 1 -1.199 -10.551 0.398
9 H LEU 2 H LEU 2 -5.737 -8.708 -1.151
10 HA LEU 2 HA LEU 2 -6.607 -8.273 -3.790
11 1HB LEU 2 2HB LEU 2 -7.145 -7.200 -1.195
12 2HB LEU 2 1HB LEU 2 -6.917 -5.871 -2.315
13 HG LEU 2 HG LEU 2 -8.692 -6.667 -3.732
14 1HD1 LEU 2 1HD1 LEU 2 -8.083 -9.162 -2.658
15 2HD1 LEU 2 2HD1 LEU 2 -9.356 -8.782 -3.819
16 3HD1 LEU 2 3HD1 LEU 2 -9.715 -8.804 -2.091
17 1HD2 LEU 2 1HD2 LEU 2 -9.928 -7.033 -1.058
18 2HD2 LEU 2 2HD2 LEU 2 -10.436 -6.026 -2.413
19 3HD2 LEU 2 3HD2 LEU 2 -9.098 -5.511 -1.385
20 HA PRO 3 HA PRO 3 -3.545 -5.672 -5.569
21 1HB PRO 3 2HB PRO 3 -5.552 -3.957 -6.802
22 2HB PRO 3 1HB PRO 3 -4.505 -5.162 -7.555
23 1HG PRO 3 2HG PRO 3 -7.187 -5.489 -7.318
24 2HG PRO 3 1HG PRO 3 -6.046 -6.846 -7.309
25 1HD PRO 3 2HD PRO 3 -7.404 -5.496 -5.003
26 2HD PRO 3 1HD PRO 3 -7.123 -7.228 -5.287
27 H LYS 4 H LYS 4 -3.217 -4.792 -3.257
28 HA LYS 4 HA LYS 4 -4.308 -2.356 -2.427
29 1HB LYS 4 2HB LYS 4 -1.753 -3.801 -1.807
30 2HB LYS 4 1HB LYS 4 -2.052 -2.202 -1.142
31 1HG LYS 4 2HG LYS 4 -2.941 -3.365 0.553
32 2HG LYS 4 1HG LYS 4 -4.361 -3.426 -0.492
33 1HD LYS 4 2HD LYS 4 -4.028 -5.642 0.210
34 2HD LYS 4 1HD LYS 4 -3.371 -5.579 -1.425
35 1HE LYS 4 2HE LYS 4 -1.535 -5.032 0.847
36 2HE LYS 4 1HE LYS 4 -2.042 -6.698 0.573
37 1HZ LYS 4 1HZ LYS 4 -0.129 -5.166 -0.842
38 2HZ LYS 4 2HZ LYS 4 -1.339 -5.689 -1.902
39 3HZ LYS 4 3HZ LYS 4 -0.481 -6.815 -0.975
40 H LEU 5 H LEU 5 -4.317 -0.602 -3.742
41 HA LEU 5 HA LEU 5 -1.799 0.673 -4.298
42 1HB LEU 5 2HB LEU 5 -2.411 0.979 -6.757
43 2HB LEU 5 1HB LEU 5 -1.744 -0.566 -6.268
44 HG LEU 5 HG LEU 5 -4.415 -1.046 -6.023
45 1HD1 LEU 5 1HD1 LEU 5 -5.542 -0.159 -7.959
46 2HD1 LEU 5 2HD1 LEU 5 -4.087 0.708 -8.451
47 3HD1 LEU 5 3HD1 LEU 5 -4.933 1.172 -6.975
48 1HD2 LEU 5 1HD2 LEU 5 -4.117 -2.528 -7.762
49 2HD2 LEU 5 2HD2 LEU 5 -2.450 -2.228 -7.272
50 3HD2 LEU 5 3HD2 LEU 5 -3.114 -1.410 -8.685
51 HA PRO 6 HA PRO 6 -5.394 3.638 -4.069
52 1HB PRO 6 2HB PRO 6 -6.254 3.605 -1.552
53 2HB PRO 6 1HB PRO 6 -6.709 2.310 -2.668
54 1HG PRO 6 2HG PRO 6 -4.834 2.241 -0.388
55 2HG PRO 6 1HG PRO 6 -5.708 0.912 -1.165
56 1HD PRO 6 2HD PRO 6 -2.979 1.818 -1.628
57 2HD PRO 6 1HD PRO 6 -3.797 0.377 -2.249
58 H ASP 7 H ASP 7 -5.570 5.750 -2.883
59 HA ASP 7 HA ASP 7 -3.786 6.600 -0.927
60 1HB ASP 7 2HB ASP 7 -2.254 8.009 -2.389
61 2HB ASP 7 1HB ASP 7 -1.944 6.275 -2.371
62 H ASP 8 H ASP 8 -5.899 7.478 -0.462
63 HA ASP 8 HA ASP 8 -6.170 10.175 -1.529
64 1HB ASP 8 2HB ASP 8 -7.664 8.877 -2.957
65 2HB ASP 8 1HB ASP 8 -8.444 8.176 -1.543
66 H LYS 9 H LYS 9 -5.254 9.183 0.970
67 HA LYS 9 HA LYS 9 -5.506 9.411 3.210
68 1HB LYS 9 2HB LYS 9 -7.408 11.631 2.493
69 2HB LYS 9 1HB LYS 9 -6.392 11.501 3.923
70 1HG LYS 9 2HG LYS 9 -4.700 11.379 1.659
71 2HG LYS 9 1HG LYS 9 -5.812 12.730 1.431
72 1HD LYS 9 2HD LYS 9 -4.964 12.791 4.128
73 2HD LYS 9 1HD LYS 9 -3.525 12.551 3.136
74 1HE LYS 9 2HE LYS 9 -3.987 14.928 3.505
75 2HE LYS 9 1HE LYS 9 -4.099 14.498 1.799
76 1HZ LYS 9 1HZ LYS 9 -6.543 14.446 3.417
77 2HZ LYS 9 2HZ LYS 9 -6.347 14.796 1.774
78 3HZ LYS 9 3HZ LYS 9 -5.927 15.948 2.939
79 H VAL 10 H VAL 10 -7.517 7.796 1.641
80 HA VAL 10 HA VAL 10 -9.589 7.659 3.733
81 HB VAL 10 HB VAL 10 -9.891 7.188 0.764
82 1HG1 VAL 10 1HG1 VAL 10 -11.458 5.699 1.328
83 2HG1 VAL 10 2HG1 VAL 10 -12.409 7.083 1.868
84 3HG1 VAL 10 3HG1 VAL 10 -11.428 6.182 3.025
85 1HG2 VAL 10 1HG2 VAL 10 -10.445 9.430 2.541
86 2HG2 VAL 10 2HG2 VAL 10 -11.841 8.946 1.577
87 3HG2 VAL 10 3HG2 VAL 10 -10.327 9.380 0.783
88 H LEU 11 H LEU 11 -7.081 6.096 2.137
89 HA LEU 11 HA LEU 11 -7.819 3.464 1.899
90 1HB LEU 11 2HB LEU 11 -5.298 3.108 2.632
91 2HB LEU 11 1HB LEU 11 -5.729 3.772 1.071
92 HG LEU 11 HG LEU 11 -3.861 4.870 2.541
93 1HD1 LEU 11 1HD1 LEU 11 -5.510 7.033 1.546
94 2HD1 LEU 11 2HD1 LEU 11 -5.413 5.685 0.413
95 3HD1 LEU 11 3HD1 LEU 11 -3.937 6.458 0.990
96 1HD2 LEU 11 1HD2 LEU 11 -4.443 6.241 4.234
97 2HD2 LEU 11 2HD2 LEU 11 -5.825 5.155 4.349
98 3HD2 LEU 11 3HD2 LEU 11 -5.979 6.688 3.493
99 H ILE 12 H ILE 12 -6.361 1.841 3.420
100 HA ILE 12 HA ILE 12 -7.207 2.282 6.198
101 HB ILE 12 HB ILE 12 -7.321 -0.458 5.893
102 1HG1 ILE 12 2HG1 ILE 12 -9.296 0.127 3.886
103 2HG1 ILE 12 1HG1 ILE 12 -7.706 0.588 3.299
104 1HG2 ILE 12 1HG2 ILE 12 -9.240 1.726 6.301
105 2HG2 ILE 12 2HG2 ILE 12 -8.909 0.294 7.277
106 3HG2 ILE 12 3HG2 ILE 12 -9.920 0.166 5.838
107 1HD1 ILE 12 1HD1 ILE 12 -7.315 -1.528 2.808
108 2HD1 ILE 12 2HD1 ILE 12 -8.846 -2.012 3.537
109 3HD1 ILE 12 3HD1 ILE 12 -7.391 -1.913 4.527
110 H ARG 13 H ARG 13 -6.014 1.083 7.764
111 HA ARG 13 HA ARG 13 -3.269 0.524 6.904
112 1HB ARG 13 2HB ARG 13 -4.504 1.616 9.297
113 2HB ARG 13 1HB ARG 13 -3.418 0.290 9.688
114 1HG ARG 13 2HG ARG 13 -1.736 1.529 8.169
115 2HG ARG 13 1HG ARG 13 -2.803 2.916 8.398
116 1HD ARG 13 2HD ARG 13 -2.120 1.460 10.852
117 2HD ARG 13 1HD ARG 13 -0.758 2.242 10.054
118 HE ARG 13 HE ARG 13 -1.632 4.291 10.621
119 1HH1 ARG 13 1HH1 ARG 13 -4.013 1.811 11.170
120 2HH1 ARG 13 2HH1 ARG 13 -5.105 2.864 12.008
121 1HH2 ARG 13 1HH2 ARG 13 -3.062 5.685 11.723
122 2HH2 ARG 13 2HH2 ARG 13 -4.564 5.065 12.321
123 H SER 14 H SER 14 -6.159 -0.956 7.866
124 HA SER 14 HA SER 14 -5.894 -3.151 9.214
125 1HB SER 14 2HB SER 14 -7.218 -2.665 6.634
126 2HB SER 14 1HB SER 14 -6.976 -4.364 7.042
127 HG SER 14 HG SER 14 -7.846 -3.172 9.221
128 H ARG 15 H ARG 15 -5.379 -3.889 5.844
129 HA ARG 15 HA ARG 15 -2.691 -4.646 5.972
130 1HB ARG 15 2HB ARG 15 -2.741 -7.003 6.278
131 2HB ARG 15 1HB ARG 15 -3.685 -6.324 7.598
132 1HG ARG 15 2HG ARG 15 -5.720 -6.744 6.104
133 2HG ARG 15 1HG ARG 15 -4.643 -7.771 5.157
134 1HD ARG 15 2HD ARG 15 -4.115 -9.017 7.256
135 2HD ARG 15 1HD ARG 15 -5.360 -8.069 8.069
136 HE ARG 15 HE ARG 15 -6.634 -9.136 5.911
137 1HH1 ARG 15 1HH1 ARG 15 -4.796 -10.441 8.566
138 2HH1 ARG 15 2HH1 ARG 15 -5.650 -11.948 8.586
139 1HH2 ARG 15 1HH2 ARG 15 -7.767 -11.115 5.931
140 2HH2 ARG 15 2HH2 ARG 15 -7.339 -12.332 7.086
141 H SER 16 H SER 16 -4.545 -3.418 4.248
142 HA SER 16 HA SER 16 -3.807 -4.686 1.790
143 1HB SER 16 2HB SER 16 -6.773 -4.485 2.059
144 2HB SER 16 1HB SER 16 -5.806 -5.536 1.023
145 HG SER 16 HG SER 16 -5.942 -6.999 2.511
146 H ASN 17 H ASN 17 -3.207 -2.182 2.634
147 HA ASN 17 HA ASN 17 -4.325 -0.603 0.549
148 1HB ASN 17 2HB ASN 17 -5.622 -0.534 3.086
149 2HB ASN 17 1HB ASN 17 -4.825 1.012 2.822
150 1HD2 ASN 17 1HD2 ASN 17 -6.581 -1.329 0.809
151 2HD2 ASN 17 2HD2 ASN 17 -7.644 -0.172 0.091
152 H CYS 18 H CYS 18 -3.089 1.150 0.058
153 HA CYS 18 HA CYS 18 -0.679 1.540 1.697
154 1HB CYS 18 2HB CYS 18 -0.518 2.608 -1.008
155 2HB CYS 18 1HB CYS 18 0.583 1.543 -0.160
156 HA PRO 19 HA PRO 19 -2.187 5.618 2.575
157 1HB PRO 19 2HB PRO 19 0.653 6.301 3.011
158 2HB PRO 19 1HB PRO 19 -0.709 6.384 4.133
159 1HG PRO 19 2HG PRO 19 1.178 4.504 4.379
160 2HG PRO 19 1HG PRO 19 -0.525 4.155 4.729
161 1HD PRO 19 2HD PRO 19 1.084 3.489 2.289
162 2HD PRO 19 1HD PRO 19 -0.102 2.496 3.162
163 H LYS 20 H LYS 20 -0.828 7.948 2.196
164 HA LYS 20 HA LYS 20 -1.040 8.286 -0.654
165 1HB LYS 20 2HB LYS 20 -0.556 10.671 -0.132
166 2HB LYS 20 1HB LYS 20 -1.908 10.018 0.785
167 1HG LYS 20 2HG LYS 20 -0.605 9.840 2.751
168 2HG LYS 20 1HG LYS 20 0.886 10.169 1.869
169 1HD LYS 20 2HD LYS 20 -0.560 12.380 1.268
170 2HD LYS 20 1HD LYS 20 -1.162 12.021 2.887
171 1HE LYS 20 2HE LYS 20 1.619 11.698 3.008
172 2HE LYS 20 1HE LYS 20 1.347 13.174 2.083
173 1HZ LYS 20 1HZ LYS 20 0.977 12.685 4.877
174 2HZ LYS 20 2HZ LYS 20 -0.397 13.366 4.167
175 3HZ LYS 20 3HZ LYS 20 1.094 14.154 4.048
176 H GLY 21 H GLY 21 0.581 8.866 -2.083
177 1HA GLY 21 2HA GLY 21 2.696 8.510 -2.973
178 2HA GLY 21 1HA GLY 21 3.123 9.680 -1.731
179 H LYS 22 H LYS 22 1.911 6.480 -1.025
180 HA LYS 22 HA LYS 22 4.232 5.894 0.556
181 1HB LYS 22 2HB LYS 22 2.981 4.217 1.481
182 2HB LYS 22 1HB LYS 22 1.707 5.291 0.933
183 1HG LYS 22 2HG LYS 22 2.572 2.662 -0.170
184 2HG LYS 22 1HG LYS 22 0.973 3.241 0.278
185 1HD LYS 22 2HD LYS 22 0.567 3.866 -1.822
186 2HD LYS 22 1HD LYS 22 1.994 4.887 -1.819
187 1HE LYS 22 2HE LYS 22 1.796 3.014 -3.580
188 2HE LYS 22 1HE LYS 22 3.333 3.262 -2.763
189 1HZ LYS 22 1HZ LYS 22 2.515 0.900 -2.975
190 2HZ LYS 22 2HZ LYS 22 1.354 1.288 -1.816
191 3HZ LYS 22 3HZ LYS 22 2.995 1.384 -1.428
192 H VAL 23 H VAL 23 4.461 3.158 0.238
193 HA VAL 23 HA VAL 23 4.995 2.505 -2.493
194 HB VAL 23 HB VAL 23 7.481 2.072 -1.729
195 1HG1 VAL 23 1HG1 VAL 23 7.153 4.867 -2.487
196 2HG1 VAL 23 2HG1 VAL 23 6.191 3.753 -3.457
197 3HG1 VAL 23 3HG1 VAL 23 7.940 3.547 -3.353
198 1HG2 VAL 23 1HG2 VAL 23 6.589 3.467 0.447
199 2HG2 VAL 23 2HG2 VAL 23 7.375 4.717 -0.517
200 3HG2 VAL 23 3HG2 VAL 23 8.277 3.283 -0.029
201 H TRP 24 H TRP 24 4.706 0.362 -2.689
202 HA TRP 24 HA TRP 24 4.410 -1.282 -0.410
203 1HB TRP 24 2HB TRP 24 3.113 -1.928 -2.213
204 2HB TRP 24 1HB TRP 24 4.431 -1.702 -3.333
205 HD1 TRP 24 HD TRP 24 6.047 -3.761 -3.773
206 HE1 TRP 24 1HE TRP 24 5.812 -6.266 -3.263
207 HE3 TRP 24 3HE TRP 24 2.322 -3.496 -0.343
208 HZ2 TRP 24 2HZ TRP 24 4.222 -7.920 -1.607
209 HZ3 TRP 24 3HZ TRP 24 1.494 -5.579 0.670
210 HH2 TRP 24 HH TRP 24 2.421 -7.740 0.053
211 H ASN 25 H ASN 25 5.591 -3.341 -0.178
212 HA ASN 25 HA ASN 25 8.330 -3.416 -1.068
213 1HB ASN 25 2HB ASN 25 8.447 -1.710 0.678
214 2HB ASN 25 1HB ASN 25 7.727 -2.831 1.830
215 1HD2 ASN 25 1HD2 ASN 25 9.032 -4.081 2.979
216 2HD2 ASN 25 2HD2 ASN 25 10.719 -4.312 2.685
217 H GLY 26 H GLY 26 8.352 -5.502 -1.595
218 1HA GLY 26 2HA GLY 26 8.335 -7.775 -1.445
219 2HA GLY 26 1HA GLY 26 8.763 -7.512 0.232
220 H PHE 27 H PHE 27 6.521 -6.579 1.387
221 HA PHE 27 HA PHE 27 4.249 -8.141 0.618
222 1HB PHE 27 2HB PHE 27 6.140 -9.110 2.606
223 2HB PHE 27 1HB PHE 27 4.494 -9.005 3.226
224 HD1 PHE 27 1HD PHE 27 6.768 -10.759 1.036
225 HD2 PHE 27 2HD PHE 27 2.680 -10.275 2.114
226 HE1 PHE 27 1HE PHE 27 6.225 -12.880 -0.088
227 HE2 PHE 27 2HE PHE 27 2.129 -12.393 0.994
228 HZ PHE 27 HZ PHE 27 3.902 -13.700 -0.109
229 H ASP 28 H ASP 28 4.702 -5.348 0.984
230 HA ASP 28 HA ASP 28 2.501 -4.790 2.761
231 1HB ASP 28 2HB ASP 28 5.275 -3.978 3.555
232 2HB ASP 28 1HB ASP 28 3.836 -3.166 4.164
233 H CYS 29 H CYS 29 1.624 -2.751 2.507
234 HA CYS 29 HA CYS 29 2.763 -1.162 0.301
235 1HB CYS 29 2HB CYS 29 0.199 -2.263 0.678
236 2HB CYS 29 1HB CYS 29 0.027 -0.536 0.957
237 H LYS 30 H LYS 30 4.009 0.355 1.449
238 HA LYS 30 HA LYS 30 2.540 2.388 2.822
239 1HB LYS 30 2HB LYS 30 3.537 0.230 4.339
240 2HB LYS 30 1HB LYS 30 4.546 1.621 4.703
241 1HG LYS 30 2HG LYS 30 2.941 1.989 6.221
242 2HG LYS 30 1HG LYS 30 2.196 2.808 4.853
243 1HD LYS 30 2HD LYS 30 0.769 1.185 6.271
244 2HD LYS 30 1HD LYS 30 0.650 1.114 4.516
245 1HE LYS 30 2HE LYS 30 1.660 -0.923 4.397
246 2HE LYS 30 1HE LYS 30 2.683 -0.617 5.800
247 1HZ LYS 30 1HZ LYS 30 -0.115 -1.543 5.723
248 2HZ LYS 30 2HZ LYS 30 0.498 -0.785 7.104
249 3HZ LYS 30 3HZ LYS 30 1.205 -2.215 6.541
250 H SER 31 H SER 31 3.793 4.254 3.396
251 HA SER 31 HA SER 31 5.617 5.113 1.569
252 1HB SER 31 2HB SER 31 4.702 6.016 4.138
253 2HB SER 31 1HB SER 31 6.442 6.278 4.020
254 HG SER 31 HG SER 31 6.138 7.554 2.261
255 HA PRO 32 HA PRO 32 9.506 3.234 2.314
256 1HB PRO 32 2HB PRO 32 10.978 5.753 2.374
257 2HB PRO 32 1HB PRO 32 10.963 4.506 1.126
258 1HG PRO 32 2HG PRO 32 9.839 6.950 0.776
259 2HG PRO 32 1HG PRO 32 9.231 5.486 -0.019
260 1HD PRO 32 2HD PRO 32 8.181 6.911 2.396
261 2HD PRO 32 1HD PRO 32 7.291 6.159 1.055
262 H PHE 33 H PHE 33 8.474 5.644 4.506
263 HA PHE 33 HA PHE 33 10.623 5.461 6.354
264 1HB PHE 33 2HB PHE 33 7.875 6.111 7.282
265 2HB PHE 33 1HB PHE 33 9.405 6.889 7.668
266 HD1 PHE 33 1HD PHE 33 10.487 7.634 5.106
267 HD2 PHE 33 2HD PHE 33 6.448 7.705 6.447
268 HE1 PHE 33 1HE PHE 33 9.983 9.415 3.484
269 HE2 PHE 33 2HE PHE 33 5.939 9.485 4.828
270 HZ PHE 33 HZ PHE 33 7.705 10.343 3.344
271 H ALA 34 H ALA 34 7.977 3.431 5.596
272 HA ALA 34 HA ALA 34 8.254 1.972 8.132
273 1HB ALA 34 1HB ALA 34 6.075 1.381 8.001
274 2HB ALA 34 2HB ALA 34 6.114 1.216 6.246
275 3HB ALA 34 3HB ALA 34 5.980 2.815 6.979
276 H PHE 35 H PHE 35 10.330 1.659 6.364
277 HA PHE 35 HA PHE 35 10.312 -1.168 5.969
278 1HB PHE 35 2HB PHE 35 10.256 0.628 3.540
279 2HB PHE 35 1HB PHE 35 10.808 -1.042 3.493
280 HD1 PHE 35 1HD PHE 35 8.996 -2.609 4.909
281 HD2 PHE 35 2HD PHE 35 8.174 0.903 2.649
282 HE1 PHE 35 1HE PHE 35 6.677 -3.360 4.595
283 HE2 PHE 35 2HE PHE 35 5.851 0.157 2.331
284 HZ PHE 35 HZ PHE 35 5.099 -1.976 3.304
285 H SER 36 H SER 36 11.885 0.714 7.417
286 HA SER 36 HA SER 36 14.044 1.308 7.840
287 1HB SER 36 2HB SER 36 14.423 -1.046 8.025
288 2HB SER 36 1HB SER 36 14.438 -1.248 6.275
289 HG SER 36 HG SER 36 16.531 -1.134 6.664
Start of MODEL 15
1 1H GLU 1 1HT GLU 1 -5.410 -11.702 -8.843
2 2H GLU 1 2HT GLU 1 -6.736 -10.912 -9.591
3 3H GLU 1 3HT GLU 1 -6.990 -11.893 -8.206
4 HA GLU 1 HA GLU 1 -6.950 -9.387 -7.955
5 1HB GLU 1 2HB GLU 1 -7.110 -10.723 -6.035
6 2HB GLU 1 1HB GLU 1 -5.539 -11.466 -6.308
7 1HG GLU 1 2HG GLU 1 -5.409 -8.582 -5.893
8 2HG GLU 1 1HG GLU 1 -6.077 -9.470 -4.523
9 H LEU 2 H LEU 2 -5.746 -7.580 -8.112
10 HA LEU 2 HA LEU 2 -2.908 -7.909 -8.828
11 1HB LEU 2 2HB LEU 2 -3.168 -5.672 -9.945
12 2HB LEU 2 1HB LEU 2 -4.048 -6.993 -10.688
13 HG LEU 2 HG LEU 2 -5.597 -5.458 -8.717
14 1HD1 LEU 2 1HD1 LEU 2 -5.299 -4.093 -11.328
15 2HD1 LEU 2 2HD1 LEU 2 -4.019 -3.858 -10.138
16 3HD1 LEU 2 3HD1 LEU 2 -5.684 -3.435 -9.738
17 1HD2 LEU 2 1HD2 LEU 2 -5.963 -6.886 -11.264
18 2HD2 LEU 2 2HD2 LEU 2 -7.004 -5.481 -11.022
19 3HD2 LEU 2 3HD2 LEU 2 -7.010 -6.797 -9.848
20 HA PRO 3 HA PRO 3 -1.470 -5.683 -5.333
21 1HB PRO 3 2HB PRO 3 0.210 -3.847 -6.594
22 2HB PRO 3 1HB PRO 3 0.655 -5.483 -6.100
23 1HG PRO 3 2HG PRO 3 -0.161 -4.467 -8.783
24 2HG PRO 3 1HG PRO 3 1.043 -5.701 -8.364
25 1HD PRO 3 2HD PRO 3 -1.366 -6.369 -9.329
26 2HD PRO 3 1HD PRO 3 -0.562 -7.352 -8.086
27 H LYS 4 H LYS 4 -2.279 -4.066 -4.140
28 HA LYS 4 HA LYS 4 -4.237 -2.329 -5.102
29 1HB LYS 4 2HB LYS 4 -2.587 -2.406 -2.598
30 2HB LYS 4 1HB LYS 4 -3.700 -1.077 -2.889
31 1HG LYS 4 2HG LYS 4 -4.799 -2.698 -1.542
32 2HG LYS 4 1HG LYS 4 -5.526 -2.737 -3.147
33 1HD LYS 4 2HD LYS 4 -5.235 -4.995 -2.478
34 2HD LYS 4 1HD LYS 4 -3.982 -4.659 -3.674
35 1HE LYS 4 2HE LYS 4 -2.783 -3.975 -1.287
36 2HE LYS 4 1HE LYS 4 -3.742 -5.392 -0.866
37 1HZ LYS 4 1HZ LYS 4 -1.286 -5.342 -2.139
38 2HZ LYS 4 2HZ LYS 4 -2.402 -5.822 -3.316
39 3HZ LYS 4 3HZ LYS 4 -2.276 -6.689 -1.869
40 H LEU 5 H LEU 5 -4.184 0.074 -4.950
41 HA LEU 5 HA LEU 5 -1.701 1.446 -5.239
42 1HB LEU 5 2HB LEU 5 -2.611 2.270 -7.625
43 2HB LEU 5 1HB LEU 5 -1.454 0.966 -7.429
44 HG LEU 5 HG LEU 5 -3.314 -0.667 -7.550
45 1HD1 LEU 5 1HD1 LEU 5 -5.077 1.556 -8.501
46 2HD1 LEU 5 2HD1 LEU 5 -5.008 1.124 -6.793
47 3HD1 LEU 5 3HD1 LEU 5 -5.514 -0.073 -7.985
48 1HD2 LEU 5 1HD2 LEU 5 -2.621 -0.720 -9.662
49 2HD2 LEU 5 2HD2 LEU 5 -2.323 1.019 -9.675
50 3HD2 LEU 5 3HD2 LEU 5 -3.932 0.397 -10.043
51 HA PRO 6 HA PRO 6 -5.358 4.201 -4.363
52 1HB PRO 6 2HB PRO 6 -6.042 3.641 -1.832
53 2HB PRO 6 1HB PRO 6 -6.600 2.635 -3.174
54 1HG PRO 6 2HG PRO 6 -4.652 2.008 -1.074
55 2HG PRO 6 1HG PRO 6 -5.499 0.914 -2.178
56 1HD PRO 6 2HD PRO 6 -2.811 2.058 -2.407
57 2HD PRO 6 1HD PRO 6 -3.539 0.719 -3.305
58 H ASP 7 H ASP 7 -5.646 5.690 -2.199
59 HA ASP 7 HA ASP 7 -3.456 6.230 -0.581
60 1HB ASP 7 2HB ASP 7 -2.948 8.514 -1.918
61 2HB ASP 7 1HB ASP 7 -2.012 7.037 -2.127
62 H ASP 8 H ASP 8 -6.121 7.658 -2.399
63 HA ASP 8 HA ASP 8 -6.939 9.034 0.062
64 1HB ASP 8 2HB ASP 8 -7.145 10.314 -2.665
65 2HB ASP 8 1HB ASP 8 -7.475 11.057 -1.104
66 H LYS 9 H LYS 9 -8.013 6.663 -0.538
67 HA LYS 9 HA LYS 9 -10.748 7.381 -1.282
68 1HB LYS 9 2HB LYS 9 -10.176 4.724 -2.232
69 2HB LYS 9 1HB LYS 9 -10.837 6.096 -3.109
70 1HG LYS 9 2HG LYS 9 -7.906 6.010 -2.604
71 2HG LYS 9 1HG LYS 9 -8.590 4.958 -3.842
72 1HD LYS 9 2HD LYS 9 -9.719 7.552 -4.145
73 2HD LYS 9 1HD LYS 9 -7.966 7.719 -4.022
74 1HE LYS 9 2HE LYS 9 -8.955 5.546 -5.759
75 2HE LYS 9 1HE LYS 9 -9.260 7.188 -6.322
76 1HZ LYS 9 1HZ LYS 9 -6.580 6.255 -5.470
77 2HZ LYS 9 2HZ LYS 9 -6.965 7.666 -6.321
78 3HZ LYS 9 3HZ LYS 9 -7.118 6.157 -7.071
79 H VAL 10 H VAL 10 -8.922 4.455 -0.451
80 HA VAL 10 HA VAL 10 -10.732 4.059 1.844
81 HB VAL 10 HB VAL 10 -9.593 2.023 -0.066
82 1HG1 VAL 10 1HG1 VAL 10 -11.104 0.667 1.850
83 2HG1 VAL 10 2HG1 VAL 10 -10.034 1.728 2.766
84 3HG1 VAL 10 3HG1 VAL 10 -9.360 0.582 1.608
85 1HG2 VAL 10 1HG2 VAL 10 -12.274 3.077 0.606
86 2HG2 VAL 10 2HG2 VAL 10 -12.159 1.349 0.269
87 3HG2 VAL 10 3HG2 VAL 10 -11.626 2.520 -0.937
88 H LEU 11 H LEU 11 -7.512 3.682 0.517
89 HA LEU 11 HA LEU 11 -5.528 3.034 1.523
90 1HB LEU 11 2HB LEU 11 -4.922 4.814 3.244
91 2HB LEU 11 1HB LEU 11 -5.323 5.349 1.623
92 HG LEU 11 HG LEU 11 -7.606 5.286 3.472
93 1HD1 LEU 11 1HD1 LEU 11 -5.181 6.954 4.013
94 2HD1 LEU 11 2HD1 LEU 11 -6.193 6.057 5.145
95 3HD1 LEU 11 3HD1 LEU 11 -6.793 7.546 4.414
96 1HD2 LEU 11 1HD2 LEU 11 -8.321 6.548 1.790
97 2HD2 LEU 11 2HD2 LEU 11 -6.695 6.674 1.119
98 3HD2 LEU 11 3HD2 LEU 11 -7.232 7.815 2.353
99 H ILE 12 H ILE 12 -7.263 1.195 2.492
100 HA ILE 12 HA ILE 12 -7.456 1.196 5.328
101 HB ILE 12 HB ILE 12 -7.639 -1.399 4.925
102 1HG1 ILE 12 2HG1 ILE 12 -8.930 -1.031 2.412
103 2HG1 ILE 12 1HG1 ILE 12 -7.270 -0.487 2.266
104 1HG2 ILE 12 1HG2 ILE 12 -10.074 -0.539 3.889
105 2HG2 ILE 12 2HG2 ILE 12 -9.480 0.784 4.893
106 3HG2 ILE 12 3HG2 ILE 12 -9.659 -0.833 5.577
107 1HD1 ILE 12 1HD1 ILE 12 -6.439 -2.554 2.422
108 2HD1 ILE 12 2HD1 ILE 12 -8.071 -3.034 1.954
109 3HD1 ILE 12 3HD1 ILE 12 -7.603 -3.036 3.655
110 H ARG 13 H ARG 13 -5.484 1.549 6.286
111 HA ARG 13 HA ARG 13 -3.023 0.517 5.636
112 1HB ARG 13 2HB ARG 13 -4.274 1.588 8.051
113 2HB ARG 13 1HB ARG 13 -3.021 0.407 8.408
114 1HG ARG 13 2HG ARG 13 -1.517 1.734 6.867
115 2HG ARG 13 1HG ARG 13 -2.760 2.987 6.895
116 1HD ARG 13 2HD ARG 13 -1.573 3.740 8.660
117 2HD ARG 13 1HD ARG 13 -2.509 2.527 9.532
118 HE ARG 13 HE ARG 13 -0.248 1.244 8.589
119 1HH1 ARG 13 1HH1 ARG 13 -0.975 3.897 10.730
120 2HH1 ARG 13 2HH1 ARG 13 0.421 3.645 11.723
121 1HH2 ARG 13 1HH2 ARG 13 1.589 0.906 9.884
122 2HH2 ARG 13 2HH2 ARG 13 1.882 1.942 11.242
123 H SER 14 H SER 14 -5.766 -1.068 6.933
124 HA SER 14 HA SER 14 -5.288 -3.194 8.305
125 1HB SER 14 2HB SER 14 -6.793 -2.875 5.796
126 2HB SER 14 1HB SER 14 -6.440 -4.543 6.250
127 HG SER 14 HG SER 14 -7.231 -3.428 8.449
128 H ARG 15 H ARG 15 -4.983 -4.058 4.938
129 HA ARG 15 HA ARG 15 -2.240 -4.708 4.964
130 1HB ARG 15 2HB ARG 15 -2.364 -7.153 5.061
131 2HB ARG 15 1HB ARG 15 -2.923 -6.433 6.564
132 1HG ARG 15 2HG ARG 15 -5.206 -6.850 5.992
133 2HG ARG 15 1HG ARG 15 -4.753 -7.379 4.370
134 1HD ARG 15 2HD ARG 15 -3.537 -8.777 6.694
135 2HD ARG 15 1HD ARG 15 -5.231 -9.101 6.327
136 HE ARG 15 HE ARG 15 -3.770 -9.327 3.957
137 1HH1 ARG 15 1HH1 ARG 15 -4.073 -10.923 7.036
138 2HH1 ARG 15 2HH1 ARG 15 -3.639 -12.482 6.419
139 1HH2 ARG 15 1HH2 ARG 15 -3.199 -11.374 3.128
140 2HH2 ARG 15 2HH2 ARG 15 -3.140 -12.738 4.193
141 H SER 16 H SER 16 -4.124 -3.472 3.303
142 HA SER 16 HA SER 16 -3.413 -4.621 0.798
143 1HB SER 16 2HB SER 16 -6.341 -4.613 0.856
144 2HB SER 16 1HB SER 16 -5.231 -5.808 0.186
145 HG SER 16 HG SER 16 -5.979 -6.924 1.832
146 H ASN 17 H ASN 17 -2.867 -2.170 1.528
147 HA ASN 17 HA ASN 17 -4.121 -0.563 -0.395
148 1HB ASN 17 2HB ASN 17 -5.521 -0.749 2.051
149 2HB ASN 17 1HB ASN 17 -4.808 0.854 1.976
150 1HD2 ASN 17 1HD2 ASN 17 -6.652 -1.447 0.028
151 2HD2 ASN 17 2HD2 ASN 17 -7.606 -0.263 -0.791
152 H CYS 18 H CYS 18 -2.819 1.037 -0.914
153 HA CYS 18 HA CYS 18 -0.586 1.683 0.864
154 1HB CYS 18 2HB CYS 18 -0.457 2.877 -1.774
155 2HB CYS 18 1HB CYS 18 0.704 1.836 -0.986
156 HA PRO 19 HA PRO 19 -2.924 5.385 1.803
157 1HB PRO 19 2HB PRO 19 -0.495 6.057 3.340
158 2HB PRO 19 1HB PRO 19 -2.166 5.900 3.890
159 1HG PRO 19 2HG PRO 19 -0.326 4.062 4.510
160 2HG PRO 19 1HG PRO 19 -2.004 3.608 4.159
161 1HD PRO 19 2HD PRO 19 0.413 3.443 2.392
162 2HD PRO 19 1HD PRO 19 -0.898 2.265 2.618
163 H LYS 20 H LYS 20 -2.480 7.741 1.707
164 HA LYS 20 HA LYS 20 -1.479 8.566 -0.713
165 1HB LYS 20 2HB LYS 20 -1.347 10.842 0.312
166 2HB LYS 20 1HB LYS 20 -2.872 10.016 0.614
167 1HG LYS 20 2HG LYS 20 -2.016 9.348 2.837
168 2HG LYS 20 1HG LYS 20 -0.572 10.314 2.528
169 1HD LYS 20 2HD LYS 20 -3.234 11.612 2.213
170 2HD LYS 20 1HD LYS 20 -2.642 11.302 3.847
171 1HE LYS 20 2HE LYS 20 -1.895 13.466 3.345
172 2HE LYS 20 1HE LYS 20 -0.485 12.438 3.101
173 1HZ LYS 20 1HZ LYS 20 -1.684 14.169 1.273
174 2HZ LYS 20 2HZ LYS 20 -1.917 12.599 0.692
175 3HZ LYS 20 3HZ LYS 20 -0.354 13.152 1.025
176 H GLY 21 H GLY 21 0.490 9.282 -1.476
177 1HA GLY 21 2HA GLY 21 2.795 9.186 -1.651
178 2HA GLY 21 1HA GLY 21 2.732 10.072 -0.133
179 H LYS 22 H LYS 22 2.421 6.747 -1.358
180 HA LYS 22 HA LYS 22 4.173 5.841 0.804
181 1HB LYS 22 2HB LYS 22 2.678 4.322 1.642
182 2HB LYS 22 1HB LYS 22 1.544 5.538 1.103
183 1HG LYS 22 2HG LYS 22 2.188 2.883 -0.093
184 2HG LYS 22 1HG LYS 22 0.625 3.557 0.363
185 1HD LYS 22 2HD LYS 22 0.328 4.401 -1.680
186 2HD LYS 22 1HD LYS 22 1.893 5.184 -1.637
187 1HE LYS 22 2HE LYS 22 2.566 2.551 -1.953
188 2HE LYS 22 1HE LYS 22 1.106 2.707 -2.931
189 1HZ LYS 22 1HZ LYS 22 2.809 3.264 -4.374
190 2HZ LYS 22 2HZ LYS 22 3.670 4.131 -3.208
191 3HZ LYS 22 3HZ LYS 22 2.252 4.775 -3.860
192 H VAL 23 H VAL 23 4.331 3.190 0.250
193 HA VAL 23 HA VAL 23 4.468 2.636 -2.533
194 HB VAL 23 HB VAL 23 7.200 2.335 -1.653
195 1HG1 VAL 23 1HG1 VAL 23 7.039 2.222 -3.904
196 2HG1 VAL 23 2HG1 VAL 23 7.274 3.966 -3.793
197 3HG1 VAL 23 3HG1 VAL 23 5.648 3.305 -3.964
198 1HG2 VAL 23 1HG2 VAL 23 6.414 5.206 -2.000
199 2HG2 VAL 23 2HG2 VAL 23 7.901 4.531 -1.336
200 3HG2 VAL 23 3HG2 VAL 23 6.409 4.464 -0.402
201 H TRP 24 H TRP 24 4.822 0.436 -2.948
202 HA TRP 24 HA TRP 24 4.302 -1.243 -0.734
203 1HB TRP 24 2HB TRP 24 3.351 -1.938 -2.738
204 2HB TRP 24 1HB TRP 24 4.847 -1.710 -3.602
205 HD1 TRP 24 HD TRP 24 6.433 -3.762 -3.838
206 HE1 TRP 24 1HE TRP 24 6.242 -6.239 -3.195
207 HE3 TRP 24 3HE TRP 24 2.463 -3.445 -0.680
208 HZ2 TRP 24 2HZ TRP 24 4.595 -7.854 -1.575
209 HZ3 TRP 24 3HZ TRP 24 1.645 -5.503 0.389
210 HH2 TRP 24 HH TRP 24 2.683 -7.658 -0.047
211 H ASN 25 H ASN 25 5.483 -3.184 -0.302
212 HA ASN 25 HA ASN 25 8.396 -2.932 -0.479
213 1HB ASN 25 2HB ASN 25 7.245 -3.741 2.137
214 2HB ASN 25 1HB ASN 25 8.734 -2.867 1.788
215 1HD2 ASN 25 1HD2 ASN 25 6.247 -2.466 3.535
216 2HD2 ASN 25 2HD2 ASN 25 5.821 -0.816 3.250
217 H GLY 26 H GLY 26 9.335 -5.021 0.679
218 1HA GLY 26 2HA GLY 26 8.921 -7.223 -0.766
219 2HA GLY 26 1HA GLY 26 9.304 -7.330 0.945
220 H PHE 27 H PHE 27 6.677 -6.085 1.710
221 HA PHE 27 HA PHE 27 4.659 -7.814 0.702
222 1HB PHE 27 2HB PHE 27 5.924 -8.390 3.360
223 2HB PHE 27 1HB PHE 27 4.257 -8.845 3.030
224 HD1 PHE 27 1HD PHE 27 3.997 -10.104 0.660
225 HD2 PHE 27 2HD PHE 27 7.508 -10.005 3.060
226 HE1 PHE 27 1HE PHE 27 4.778 -12.181 -0.404
227 HE2 PHE 27 2HE PHE 27 8.298 -12.081 1.999
228 HZ PHE 27 HZ PHE 27 6.930 -13.172 0.266
229 H ASP 28 H ASP 28 4.738 -4.998 0.902
230 HA ASP 28 HA ASP 28 2.299 -4.547 2.328
231 1HB ASP 28 2HB ASP 28 4.857 -3.810 3.637
232 2HB ASP 28 1HB ASP 28 3.473 -2.741 3.829
233 H CYS 29 H CYS 29 1.240 -2.815 1.546
234 HA CYS 29 HA CYS 29 2.637 -1.064 -0.311
235 1HB CYS 29 2HB CYS 29 0.078 -2.164 -0.260
236 2HB CYS 29 1HB CYS 29 -0.146 -0.453 0.090
237 H LYS 30 H LYS 30 3.833 0.172 1.173
238 HA LYS 30 HA LYS 30 2.450 2.453 2.195
239 1HB LYS 30 2HB LYS 30 2.981 0.219 3.953
240 2HB LYS 30 1HB LYS 30 3.755 1.686 4.525
241 1HG LYS 30 2HG LYS 30 1.814 2.225 5.429
242 2HG LYS 30 1HG LYS 30 1.263 2.556 3.793
243 1HD LYS 30 2HD LYS 30 -0.094 0.974 5.400
244 2HD LYS 30 1HD LYS 30 0.019 0.639 3.677
245 1HE LYS 30 2HE LYS 30 1.406 -1.159 3.978
246 2HE LYS 30 1HE LYS 30 2.088 -0.518 5.474
247 1HZ LYS 30 1HZ LYS 30 -0.707 -1.484 5.278
248 2HZ LYS 30 2HZ LYS 30 0.190 -1.172 6.677
249 3HZ LYS 30 3HZ LYS 30 0.581 -2.498 5.703
250 H SER 31 H SER 31 3.849 4.175 2.806
251 HA SER 31 HA SER 31 6.144 4.522 1.428
252 1HB SER 31 2HB SER 31 4.805 6.060 3.200
253 2HB SER 31 1HB SER 31 6.231 5.669 4.162
254 HG SER 31 HG SER 31 5.994 7.416 2.150
255 HA PRO 32 HA PRO 32 8.627 1.176 3.175
256 1HB PRO 32 2HB PRO 32 10.577 2.439 1.315
257 2HB PRO 32 1HB PRO 32 10.125 0.740 1.490
258 1HG PRO 32 2HG PRO 32 9.237 2.174 -0.569
259 2HG PRO 32 1HG PRO 32 8.193 0.984 0.233
260 1HD PRO 32 2HD PRO 32 8.190 3.963 0.449
261 2HD PRO 32 1HD PRO 32 6.823 2.831 0.444
262 H PHE 33 H PHE 33 9.439 4.575 2.956
263 HA PHE 33 HA PHE 33 11.830 4.823 4.190
264 1HB PHE 33 2HB PHE 33 9.541 6.434 5.269
265 2HB PHE 33 1HB PHE 33 11.191 6.943 4.936
266 HD1 PHE 33 1HD PHE 33 11.284 5.696 2.121
267 HD2 PHE 33 2HD PHE 33 8.472 8.195 4.106
268 HE1 PHE 33 1HE PHE 33 10.551 6.590 -0.048
269 HE2 PHE 33 2HE PHE 33 7.732 9.093 1.944
270 HZ PHE 33 HZ PHE 33 8.772 8.291 -0.143
271 H ALA 34 H ALA 34 8.807 3.850 5.654
272 HA ALA 34 HA ALA 34 10.176 3.449 8.227
273 1HB ALA 34 1HB ALA 34 7.303 3.147 8.319
274 2HB ALA 34 2HB ALA 34 7.772 4.703 7.633
275 3HB ALA 34 3HB ALA 34 8.354 4.234 9.229
276 H PHE 35 H PHE 35 10.972 1.506 6.744
277 HA PHE 35 HA PHE 35 9.495 -0.802 7.702
278 1HB PHE 35 2HB PHE 35 9.834 -0.141 4.796
279 2HB PHE 35 1HB PHE 35 9.802 -1.827 5.311
280 HD1 PHE 35 1HD PHE 35 7.775 -2.890 5.887
281 HD2 PHE 35 2HD PHE 35 7.875 1.320 5.272
282 HE1 PHE 35 1HE PHE 35 5.316 -2.830 5.922
283 HE2 PHE 35 2HE PHE 35 5.418 1.387 5.308
284 HZ PHE 35 HZ PHE 35 4.132 -0.688 5.633
285 H SER 36 H SER 36 11.508 -0.667 9.001
286 HA SER 36 HA SER 36 13.685 -1.214 9.478
287 1HB SER 36 2HB SER 36 12.973 -3.522 7.651
288 2HB SER 36 1HB SER 36 14.250 -3.516 8.867
289 HG SER 36 HG SER 36 11.637 -4.035 9.173
Start of MODEL 16
1 1H GLU 1 1HT GLU 1 -3.950 -11.841 -5.061
2 2H GLU 1 2HT GLU 1 -2.935 -12.394 -3.791
3 3H GLU 1 3HT GLU 1 -2.316 -12.247 -5.385
4 HA GLU 1 HA GLU 1 -3.270 -10.041 -3.686
5 1HB GLU 1 2HB GLU 1 -1.257 -10.667 -2.726
6 2HB GLU 1 1HB GLU 1 -0.601 -11.267 -4.242
7 1HG GLU 1 2HG GLU 1 0.306 -9.296 -4.768
8 2HG GLU 1 1HG GLU 1 -1.110 -8.392 -4.235
9 H LEU 2 H LEU 2 -3.620 -8.178 -4.731
10 HA LEU 2 HA LEU 2 -3.009 -8.093 -7.603
11 1HB LEU 2 2HB LEU 2 -5.194 -7.000 -5.924
12 2HB LEU 2 1HB LEU 2 -4.672 -6.013 -7.276
13 HG LEU 2 HG LEU 2 -5.455 -8.898 -7.621
14 1HD1 LEU 2 1HD1 LEU 2 -7.210 -6.452 -7.706
15 2HD1 LEU 2 2HD1 LEU 2 -7.374 -7.856 -6.651
16 3HD1 LEU 2 3HD1 LEU 2 -7.657 -8.017 -8.385
17 1HD2 LEU 2 1HD2 LEU 2 -4.122 -7.724 -9.385
18 2HD2 LEU 2 2HD2 LEU 2 -5.474 -6.608 -9.576
19 3HD2 LEU 2 3HD2 LEU 2 -5.691 -8.323 -9.924
20 HA PRO 3 HA PRO 3 -0.244 -4.717 -7.021
21 1HB PRO 3 2HB PRO 3 -0.460 -3.379 -9.324
22 2HB PRO 3 1HB PRO 3 0.151 -5.039 -9.283
23 1HG PRO 3 2HG PRO 3 -2.583 -4.045 -9.999
24 2HG PRO 3 1HG PRO 3 -1.599 -5.284 -10.800
25 1HD PRO 3 2HD PRO 3 -3.624 -5.836 -9.024
26 2HD PRO 3 1HD PRO 3 -2.250 -6.916 -9.334
27 H LYS 4 H LYS 4 -2.246 -4.058 -5.392
28 HA LYS 4 HA LYS 4 -3.868 -1.887 -5.948
29 1HB LYS 4 2HB LYS 4 -4.021 -1.528 -3.599
30 2HB LYS 4 1HB LYS 4 -3.834 -3.262 -3.833
31 1HG LYS 4 2HG LYS 4 -1.263 -2.023 -3.532
32 2HG LYS 4 1HG LYS 4 -2.320 -1.585 -2.189
33 1HD LYS 4 2HD LYS 4 -1.557 -3.546 -1.349
34 2HD LYS 4 1HD LYS 4 -2.861 -4.206 -2.338
35 1HE LYS 4 2HE LYS 4 -1.278 -5.494 -3.252
36 2HE LYS 4 1HE LYS 4 -0.797 -4.041 -4.127
37 1HZ LYS 4 1HZ LYS 4 0.511 -3.723 -1.820
38 2HZ LYS 4 2HZ LYS 4 1.180 -4.463 -3.184
39 3HZ LYS 4 3HZ LYS 4 0.526 -5.410 -1.946
40 H LEU 5 H LEU 5 -3.640 0.385 -5.478
41 HA LEU 5 HA LEU 5 -1.090 1.526 -4.921
42 1HB LEU 5 2HB LEU 5 -1.266 2.763 -7.284
43 2HB LEU 5 1HB LEU 5 -0.312 1.314 -7.027
44 HG LEU 5 HG LEU 5 -2.505 0.077 -7.741
45 1HD1 LEU 5 1HD1 LEU 5 -2.900 2.829 -8.899
46 2HD1 LEU 5 2HD1 LEU 5 -3.975 1.970 -7.795
47 3HD1 LEU 5 3HD1 LEU 5 -3.750 1.382 -9.442
48 1HD2 LEU 5 1HD2 LEU 5 -1.324 1.378 -10.092
49 2HD2 LEU 5 2HD2 LEU 5 -1.435 -0.332 -9.673
50 3HD2 LEU 5 3HD2 LEU 5 -0.162 0.667 -8.972
51 HA PRO 6 HA PRO 6 -4.705 4.459 -4.578
52 1HB PRO 6 2HB PRO 6 -5.865 3.827 -2.268
53 2HB PRO 6 1HB PRO 6 -6.209 2.895 -3.730
54 1HG PRO 6 2HG PRO 6 -4.563 2.170 -1.373
55 2HG PRO 6 1HG PRO 6 -5.467 1.126 -2.481
56 1HD PRO 6 2HD PRO 6 -2.671 1.740 -2.534
57 2HD PRO 6 1HD PRO 6 -3.590 0.738 -3.666
58 H ASP 7 H ASP 7 -5.291 5.593 -2.134
59 HA ASP 7 HA ASP 7 -3.048 5.975 -0.463
60 1HB ASP 7 2HB ASP 7 -2.826 8.488 -1.199
61 2HB ASP 7 1HB ASP 7 -1.908 7.228 -2.019
62 H ASP 8 H ASP 8 -5.396 8.308 -1.747
63 HA ASP 8 HA ASP 8 -6.579 8.451 0.947
64 1HB ASP 8 2HB ASP 8 -5.259 10.482 -0.402
65 2HB ASP 8 1HB ASP 8 -6.961 10.839 -0.680
66 H LYS 9 H LYS 9 -7.664 6.610 -0.653
67 HA LYS 9 HA LYS 9 -10.255 7.788 -1.310
68 1HB LYS 9 2HB LYS 9 -10.344 6.334 -3.374
69 2HB LYS 9 1HB LYS 9 -9.268 7.722 -3.460
70 1HG LYS 9 2HG LYS 9 -7.450 6.026 -2.707
71 2HG LYS 9 1HG LYS 9 -8.604 4.820 -3.282
72 1HD LYS 9 2HD LYS 9 -8.621 6.588 -5.341
73 2HD LYS 9 1HD LYS 9 -6.952 6.732 -4.786
74 1HE LYS 9 2HE LYS 9 -6.443 4.561 -5.319
75 2HE LYS 9 1HE LYS 9 -8.107 4.011 -5.129
76 1HZ LYS 9 1HZ LYS 9 -8.354 5.665 -7.203
77 2HZ LYS 9 2HZ LYS 9 -8.054 4.008 -7.361
78 3HZ LYS 9 3HZ LYS 9 -6.776 5.112 -7.458
79 H VAL 10 H VAL 10 -8.489 4.704 -1.279
80 HA VAL 10 HA VAL 10 -10.745 3.521 0.197
81 HB VAL 10 HB VAL 10 -8.985 2.010 -1.716
82 1HG1 VAL 10 1HG1 VAL 10 -11.534 0.873 -1.479
83 2HG1 VAL 10 2HG1 VAL 10 -11.040 1.312 0.155
84 3HG1 VAL 10 3HG1 VAL 10 -10.015 0.262 -0.824
85 1HG2 VAL 10 1HG2 VAL 10 -11.065 2.103 -3.214
86 2HG2 VAL 10 2HG2 VAL 10 -10.037 3.535 -3.147
87 3HG2 VAL 10 3HG2 VAL 10 -11.545 3.488 -2.235
88 H LEU 11 H LEU 11 -7.659 4.488 0.475
89 HA LEU 11 HA LEU 11 -5.899 2.768 1.325
90 1HB LEU 11 2HB LEU 11 -5.583 4.224 3.463
91 2HB LEU 11 1HB LEU 11 -5.286 4.894 1.872
92 HG LEU 11 HG LEU 11 -7.252 6.183 1.913
93 1HD1 LEU 11 1HD1 LEU 11 -9.087 5.903 3.345
94 2HD1 LEU 11 2HD1 LEU 11 -8.181 4.861 4.442
95 3HD1 LEU 11 3HD1 LEU 11 -8.647 4.270 2.846
96 1HD2 LEU 11 1HD2 LEU 11 -5.806 6.133 4.528
97 2HD2 LEU 11 2HD2 LEU 11 -7.170 7.224 4.291
98 3HD2 LEU 11 3HD2 LEU 11 -5.757 7.338 3.242
99 H ILE 12 H ILE 12 -6.340 0.775 2.014
100 HA ILE 12 HA ILE 12 -7.684 0.503 4.615
101 HB ILE 12 HB ILE 12 -7.984 -1.972 3.574
102 1HG1 ILE 12 2HG1 ILE 12 -9.049 -0.493 1.275
103 2HG1 ILE 12 1HG1 ILE 12 -7.294 -0.593 1.328
104 1HG2 ILE 12 1HG2 ILE 12 -9.631 0.210 4.283
105 2HG2 ILE 12 2HG2 ILE 12 -10.011 -1.513 4.284
106 3HG2 ILE 12 3HG2 ILE 12 -10.302 -0.545 2.838
107 1HD1 ILE 12 1HD1 ILE 12 -8.417 -3.143 1.942
108 2HD1 ILE 12 2HD1 ILE 12 -7.344 -2.681 0.621
109 3HD1 ILE 12 3HD1 ILE 12 -9.091 -2.532 0.433
110 H ARG 13 H ARG 13 -6.332 -0.188 6.110
111 HA ARG 13 HA ARG 13 -3.751 -1.208 5.540
112 1HB ARG 13 2HB ARG 13 -5.293 -0.483 7.880
113 2HB ARG 13 1HB ARG 13 -4.446 -1.998 8.150
114 1HG ARG 13 2HG ARG 13 -2.416 -1.012 8.178
115 2HG ARG 13 1HG ARG 13 -2.854 0.168 6.939
116 1HD ARG 13 2HD ARG 13 -3.818 1.613 8.474
117 2HD ARG 13 1HD ARG 13 -4.066 0.341 9.669
118 HE ARG 13 HE ARG 13 -1.305 0.710 9.238
119 1HH1 ARG 13 1HH1 ARG 13 -4.052 2.287 10.689
120 2HH1 ARG 13 2HH1 ARG 13 -3.108 3.135 11.868
121 1HH2 ARG 13 1HH2 ARG 13 -0.050 1.827 10.787
122 2HH2 ARG 13 2HH2 ARG 13 -0.832 2.876 11.921
123 H SER 14 H SER 14 -6.825 -2.580 5.544
124 HA SER 14 HA SER 14 -6.935 -5.029 6.438
125 1HB SER 14 2HB SER 14 -7.572 -4.049 3.689
126 2HB SER 14 1HB SER 14 -7.787 -5.757 4.074
127 HG SER 14 HG SER 14 -8.937 -3.595 5.512
128 H ARG 15 H ARG 15 -5.788 -5.048 3.133
129 HA ARG 15 HA ARG 15 -3.219 -6.030 3.590
130 1HB ARG 15 2HB ARG 15 -3.485 -8.426 3.163
131 2HB ARG 15 1HB ARG 15 -4.334 -7.949 4.627
132 1HG ARG 15 2HG ARG 15 -5.983 -7.866 2.212
133 2HG ARG 15 1HG ARG 15 -5.379 -9.471 2.628
134 1HD ARG 15 2HD ARG 15 -6.290 -9.237 4.879
135 2HD ARG 15 1HD ARG 15 -6.859 -7.617 4.492
136 HE ARG 15 HE ARG 15 -8.485 -8.566 3.045
137 1HH1 ARG 15 1HH1 ARG 15 -6.713 -10.977 4.869
138 2HH1 ARG 15 2HH1 ARG 15 -7.917 -12.196 4.643
139 1HH2 ARG 15 1HH2 ARG 15 -10.051 -10.180 2.755
140 2HH2 ARG 15 2HH2 ARG 15 -9.805 -11.749 3.446
141 H SER 16 H SER 16 -4.622 -4.329 1.840
142 HA SER 16 HA SER 16 -3.398 -5.089 -0.613
143 1HB SER 16 2HB SER 16 -6.404 -5.341 -0.462
144 2HB SER 16 1HB SER 16 -5.508 -5.232 -1.976
145 HG SER 16 HG SER 16 -5.884 -7.401 -1.397
146 H ASN 17 H ASN 17 -3.059 -2.786 0.768
147 HA ASN 17 HA ASN 17 -3.907 -0.859 -1.182
148 1HB ASN 17 2HB ASN 17 -5.519 -1.200 1.115
149 2HB ASN 17 1HB ASN 17 -4.656 0.323 1.306
150 1HD2 ASN 17 1HD2 ASN 17 -6.269 -1.480 -1.292
151 2HD2 ASN 17 2HD2 ASN 17 -7.137 -0.126 -1.923
152 H CYS 18 H CYS 18 -3.003 1.245 -0.856
153 HA CYS 18 HA CYS 18 -0.670 1.329 0.925
154 1HB CYS 18 2HB CYS 18 -0.322 2.752 -1.615
155 2HB CYS 18 1HB CYS 18 0.796 1.706 -0.774
156 HA PRO 19 HA PRO 19 -2.645 5.100 2.213
157 1HB PRO 19 2HB PRO 19 0.053 5.785 3.229
158 2HB PRO 19 1HB PRO 19 -1.481 5.671 4.098
159 1HG PRO 19 2HG PRO 19 0.387 3.803 4.397
160 2HG PRO 19 1HG PRO 19 -1.331 3.366 4.324
161 1HD PRO 19 2HD PRO 19 0.761 3.186 2.185
162 2HD PRO 19 1HD PRO 19 -0.496 2.013 2.629
163 H LYS 20 H LYS 20 -1.437 7.522 2.489
164 HA LYS 20 HA LYS 20 -1.273 8.443 -0.210
165 1HB LYS 20 2HB LYS 20 -0.982 10.649 0.775
166 2HB LYS 20 1HB LYS 20 -2.268 9.786 1.611
167 1HG LYS 20 2HG LYS 20 -1.038 9.525 3.530
168 2HG LYS 20 1HG LYS 20 0.505 9.656 2.685
169 1HD LYS 20 2HD LYS 20 -0.218 12.087 2.209
170 2HD LYS 20 1HD LYS 20 -1.386 11.832 3.506
171 1HE LYS 20 2HE LYS 20 1.601 11.489 3.726
172 2HE LYS 20 1HE LYS 20 0.677 12.863 4.330
173 1HZ LYS 20 1HZ LYS 20 -0.516 11.348 5.804
174 2HZ LYS 20 2HZ LYS 20 1.149 11.307 6.099
175 3HZ LYS 20 3HZ LYS 20 0.412 10.049 5.243
176 H GLY 21 H GLY 21 0.513 9.228 -1.336
177 1HA GLY 21 2HA GLY 21 2.722 8.883 -2.028
178 2HA GLY 21 1HA GLY 21 3.000 9.908 -0.625
179 H LYS 22 H LYS 22 2.497 6.509 -1.520
180 HA LYS 22 HA LYS 22 4.465 5.789 0.523
181 1HB LYS 22 2HB LYS 22 3.155 4.011 1.310
182 2HB LYS 22 1HB LYS 22 2.029 5.337 1.148
183 1HG LYS 22 2HG LYS 22 2.393 3.056 -0.769
184 2HG LYS 22 1HG LYS 22 1.050 3.288 0.352
185 1HD LYS 22 2HD LYS 22 0.045 4.325 -1.346
186 2HD LYS 22 1HD LYS 22 1.111 5.660 -0.966
187 1HE LYS 22 2HE LYS 22 0.991 4.788 -3.407
188 2HE LYS 22 1HE LYS 22 2.556 5.185 -2.708
189 1HZ LYS 22 1HZ LYS 22 2.111 2.914 -3.937
190 2HZ LYS 22 2HZ LYS 22 1.614 2.448 -2.390
191 3HZ LYS 22 3HZ LYS 22 3.178 3.034 -2.632
192 H VAL 23 H VAL 23 4.557 3.103 0.090
193 HA VAL 23 HA VAL 23 4.904 2.441 -2.657
194 HB VAL 23 HB VAL 23 7.503 2.005 -1.710
195 1HG1 VAL 23 1HG1 VAL 23 6.261 3.825 -3.741
196 2HG1 VAL 23 2HG1 VAL 23 7.082 2.285 -3.998
197 3HG1 VAL 23 3HG1 VAL 23 8.009 3.712 -3.535
198 1HG2 VAL 23 1HG2 VAL 23 7.055 3.774 -0.030
199 2HG2 VAL 23 2HG2 VAL 23 6.726 4.896 -1.351
200 3HG2 VAL 23 3HG2 VAL 23 8.337 4.200 -1.165
201 H TRP 24 H TRP 24 4.654 0.280 -2.841
202 HA TRP 24 HA TRP 24 4.386 -1.302 -0.530
203 1HB TRP 24 2HB TRP 24 3.048 -1.972 -2.293
204 2HB TRP 24 1HB TRP 24 4.355 -1.816 -3.435
205 HD1 TRP 24 HD TRP 24 5.949 -3.923 -3.787
206 HE1 TRP 24 1HE TRP 24 5.669 -6.406 -3.186
207 HE3 TRP 24 3HE TRP 24 2.181 -3.480 -0.402
208 HZ2 TRP 24 2HZ TRP 24 4.036 -7.972 -1.502
209 HZ3 TRP 24 3HZ TRP 24 1.330 -5.521 0.676
210 HH2 TRP 24 HH TRP 24 2.226 -7.713 0.136
211 H ASN 25 H ASN 25 5.442 -3.315 -0.190
212 HA ASN 25 HA ASN 25 8.272 -3.410 -0.924
213 1HB ASN 25 2HB ASN 25 7.717 -2.211 1.369
214 2HB ASN 25 1HB ASN 25 7.548 -3.867 1.943
215 1HD2 ASN 25 1HD2 ASN 25 9.316 -4.979 2.443
216 2HD2 ASN 25 2HD2 ASN 25 10.938 -4.446 2.175
217 H GLY 26 H GLY 26 9.162 -5.513 0.340
218 1HA GLY 26 2HA GLY 26 8.453 -7.734 -0.884
219 2HA GLY 26 1HA GLY 26 8.889 -7.777 0.812
220 H PHE 27 H PHE 27 6.412 -6.362 1.700
221 HA PHE 27 HA PHE 27 4.228 -7.936 0.781
222 1HB PHE 27 2HB PHE 27 5.781 -8.824 3.111
223 2HB PHE 27 1HB PHE 27 4.040 -8.764 3.362
224 HD1 PHE 27 1HD PHE 27 6.510 -10.947 2.673
225 HD2 PHE 27 2HD PHE 27 2.808 -9.661 1.013
226 HE1 PHE 27 1HE PHE 27 6.274 -13.114 1.531
227 HE2 PHE 27 2HE PHE 27 2.566 -11.824 -0.132
228 HZ PHE 27 HZ PHE 27 4.299 -13.556 0.127
229 H ASP 28 H ASP 28 4.527 -5.144 1.018
230 HA ASP 28 HA ASP 28 2.185 -4.528 2.533
231 1HB ASP 28 2HB ASP 28 4.839 -3.980 3.753
232 2HB ASP 28 1HB ASP 28 3.526 -2.836 4.010
233 H CYS 29 H CYS 29 1.272 -2.671 1.890
234 HA CYS 29 HA CYS 29 2.747 -1.014 -0.019
235 1HB CYS 29 2HB CYS 29 0.084 -1.983 0.125
236 2HB CYS 29 1HB CYS 29 0.035 -0.229 0.236
237 H LYS 30 H LYS 30 3.938 0.389 1.264
238 HA LYS 30 HA LYS 30 2.509 2.592 2.386
239 1HB LYS 30 2HB LYS 30 4.286 1.560 4.489
240 2HB LYS 30 1HB LYS 30 2.742 2.384 4.617
241 1HG LYS 30 2HG LYS 30 2.758 -0.406 3.646
242 2HG LYS 30 1HG LYS 30 3.073 -0.102 5.349
243 1HD LYS 30 2HD LYS 30 0.969 0.735 5.741
244 2HD LYS 30 1HD LYS 30 0.734 1.230 4.067
245 1HE LYS 30 2HE LYS 30 0.249 -0.965 3.374
246 2HE LYS 30 1HE LYS 30 0.924 -1.665 4.843
247 1HZ LYS 30 1HZ LYS 30 -1.703 -1.177 4.384
248 2HZ LYS 30 2HZ LYS 30 -1.251 0.131 5.355
249 3HZ LYS 30 3HZ LYS 30 -1.005 -1.449 5.901
250 H SER 31 H SER 31 3.886 4.245 3.243
251 HA SER 31 HA SER 31 5.825 5.064 1.538
252 1HB SER 31 2HB SER 31 6.113 6.845 2.931
253 2HB SER 31 1HB SER 31 4.725 6.146 3.763
254 HG SER 31 HG SER 31 6.021 5.366 5.313
255 HA PRO 32 HA PRO 32 9.546 2.849 2.298
256 1HB PRO 32 2HB PRO 32 11.458 4.696 1.866
257 2HB PRO 32 1HB PRO 32 10.435 4.083 0.560
258 1HG PRO 32 2HG PRO 32 10.211 6.637 2.103
259 2HG PRO 32 1HG PRO 32 10.007 6.359 0.364
260 1HD PRO 32 2HD PRO 32 7.920 6.594 2.112
261 2HD PRO 32 1HD PRO 32 7.837 5.656 0.608
262 H PHE 33 H PHE 33 8.895 5.636 4.203
263 HA PHE 33 HA PHE 33 11.090 5.482 5.973
264 1HB PHE 33 2HB PHE 33 8.424 6.438 6.901
265 2HB PHE 33 1HB PHE 33 10.020 7.126 7.179
266 HD1 PHE 33 1HD PHE 33 7.098 8.007 5.881
267 HD2 PHE 33 2HD PHE 33 11.118 7.526 4.575
268 HE1 PHE 33 1HE PHE 33 6.701 9.630 4.076
269 HE2 PHE 33 2HE PHE 33 10.730 9.148 2.769
270 HZ PHE 33 HZ PHE 33 8.520 10.205 2.517
271 H ALA 34 H ALA 34 8.350 3.527 5.535
272 HA ALA 34 HA ALA 34 8.620 2.364 8.220
273 1HB ALA 34 1HB ALA 34 6.348 2.374 6.253
274 2HB ALA 34 2HB ALA 34 6.385 3.032 7.889
275 3HB ALA 34 3HB ALA 34 6.393 1.286 7.640
276 H PHE 35 H PHE 35 10.598 1.756 6.423
277 HA PHE 35 HA PHE 35 10.440 -1.094 6.349
278 1HB PHE 35 2HB PHE 35 10.461 0.402 3.717
279 2HB PHE 35 1HB PHE 35 10.827 -1.312 3.886
280 HD1 PHE 35 1HD PHE 35 8.997 -2.732 5.090
281 HD2 PHE 35 2HD PHE 35 8.301 1.046 3.260
282 HE1 PHE 35 1HE PHE 35 6.604 -3.267 4.905
283 HE2 PHE 35 2HE PHE 35 5.906 0.519 3.073
284 HZ PHE 35 HZ PHE 35 5.055 -1.642 3.896
285 H SER 36 H SER 36 12.128 0.671 7.639
286 HA SER 36 HA SER 36 14.673 0.278 6.204
287 1HB SER 36 2HB SER 36 15.545 2.246 7.358
288 2HB SER 36 1HB SER 36 14.075 2.665 6.477
289 HG SER 36 HG SER 36 13.557 1.837 9.017
Start of MODEL 17
1 1H GLU 1 1HT GLU 1 -3.654 -10.884 -11.337
2 2H GLU 1 2HT GLU 1 -3.016 -9.946 -12.624
3 3H GLU 1 3HT GLU 1 -4.636 -10.510 -12.691
4 HA GLU 1 HA GLU 1 -4.931 -8.375 -12.089
5 1HB GLU 1 2HB GLU 1 -6.126 -9.717 -10.542
6 2HB GLU 1 1HB GLU 1 -4.668 -10.116 -9.643
7 1HG GLU 1 2HG GLU 1 -4.572 -8.016 -8.635
8 2HG GLU 1 1HG GLU 1 -5.672 -7.302 -9.812
9 H LEU 2 H LEU 2 -4.253 -6.425 -11.059
10 HA LEU 2 HA LEU 2 -1.365 -6.374 -10.549
11 1HB LEU 2 2HB LEU 2 -3.234 -4.086 -11.164
12 2HB LEU 2 1HB LEU 2 -1.492 -3.978 -11.001
13 HG LEU 2 HG LEU 2 -1.573 -4.075 -13.259
14 1HD1 LEU 2 1HD1 LEU 2 -2.053 -7.016 -12.892
15 2HD1 LEU 2 2HD1 LEU 2 -0.551 -6.241 -12.385
16 3HD1 LEU 2 3HD1 LEU 2 -1.036 -6.204 -14.081
17 1HD2 LEU 2 1HD2 LEU 2 -3.783 -5.938 -13.696
18 2HD2 LEU 2 2HD2 LEU 2 -3.462 -4.363 -14.423
19 3HD2 LEU 2 3HD2 LEU 2 -4.243 -4.464 -12.845
20 HA PRO 3 HA PRO 3 -1.784 -5.434 -6.285
21 1HB PRO 3 2HB PRO 3 0.210 -3.626 -5.900
22 2HB PRO 3 1HB PRO 3 0.503 -5.350 -6.159
23 1HG PRO 3 2HG PRO 3 0.641 -3.090 -8.121
24 2HG PRO 3 1HG PRO 3 1.767 -4.444 -7.894
25 1HD PRO 3 2HD PRO 3 -0.068 -4.434 -9.867
26 2HD PRO 3 1HD PRO 3 0.410 -5.930 -9.037
27 H LYS 4 H LYS 4 -1.682 -3.434 -4.724
28 HA LYS 4 HA LYS 4 -3.623 -1.500 -5.761
29 1HB LYS 4 2HB LYS 4 -3.586 -0.971 -3.137
30 2HB LYS 4 1HB LYS 4 -4.569 -2.254 -3.829
31 1HG LYS 4 2HG LYS 4 -1.788 -2.825 -2.904
32 2HG LYS 4 1HG LYS 4 -3.116 -2.735 -1.747
33 1HD LYS 4 2HD LYS 4 -4.012 -4.686 -2.434
34 2HD LYS 4 1HD LYS 4 -3.656 -4.366 -4.132
35 1HE LYS 4 2HE LYS 4 -2.418 -6.269 -2.728
36 2HE LYS 4 1HE LYS 4 -1.636 -5.393 -4.043
37 1HZ LYS 4 1HZ LYS 4 -1.458 -4.236 -1.368
38 2HZ LYS 4 2HZ LYS 4 -0.321 -4.246 -2.619
39 3HZ LYS 4 3HZ LYS 4 -0.543 -5.627 -1.667
40 H LEU 5 H LEU 5 -3.481 0.739 -5.036
41 HA LEU 5 HA LEU 5 -1.051 1.795 -4.004
42 1HB LEU 5 2HB LEU 5 -0.809 3.240 -6.220
43 2HB LEU 5 1HB LEU 5 0.045 1.728 -5.986
44 HG LEU 5 HG LEU 5 -1.699 0.560 -7.289
45 1HD1 LEU 5 1HD1 LEU 5 -3.642 1.495 -7.812
46 2HD1 LEU 5 2HD1 LEU 5 -2.844 2.896 -8.525
47 3HD1 LEU 5 3HD1 LEU 5 -3.188 2.862 -6.796
48 1HD2 LEU 5 1HD2 LEU 5 -0.087 2.790 -8.432
49 2HD2 LEU 5 2HD2 LEU 5 -1.192 1.908 -9.483
50 3HD2 LEU 5 3HD2 LEU 5 0.094 1.048 -8.638
51 HA PRO 6 HA PRO 6 -4.810 4.594 -3.981
52 1HB PRO 6 2HB PRO 6 -6.046 3.905 -1.709
53 2HB PRO 6 1HB PRO 6 -6.309 3.003 -3.205
54 1HG PRO 6 2HG PRO 6 -4.691 2.279 -0.821
55 2HG PRO 6 1HG PRO 6 -5.604 1.235 -1.922
56 1HD PRO 6 2HD PRO 6 -2.829 1.710 -1.980
57 2HD PRO 6 1HD PRO 6 -3.793 0.907 -3.227
58 H ASP 7 H ASP 7 -5.577 5.807 -1.668
59 HA ASP 7 HA ASP 7 -3.534 6.266 0.205
60 1HB ASP 7 2HB ASP 7 -2.976 8.639 -0.577
61 2HB ASP 7 1HB ASP 7 -2.217 7.305 -1.441
62 H ASP 8 H ASP 8 -5.919 8.219 -1.580
63 HA ASP 8 HA ASP 8 -7.149 8.866 1.019
64 1HB ASP 8 2HB ASP 8 -6.071 10.623 -0.981
65 2HB ASP 8 1HB ASP 8 -7.797 10.919 -0.805
66 H LYS 9 H LYS 9 -8.283 6.757 0.158
67 HA LYS 9 HA LYS 9 -10.878 7.586 -0.715
68 1HB LYS 9 2HB LYS 9 -10.694 5.644 -2.531
69 2HB LYS 9 1HB LYS 9 -10.340 7.326 -2.899
70 1HG LYS 9 2HG LYS 9 -7.955 6.163 -1.934
71 2HG LYS 9 1HG LYS 9 -8.649 5.052 -3.115
72 1HD LYS 9 2HD LYS 9 -8.620 7.932 -3.817
73 2HD LYS 9 1HD LYS 9 -7.069 7.088 -3.807
74 1HE LYS 9 2HE LYS 9 -7.595 6.488 -5.898
75 2HE LYS 9 1HE LYS 9 -8.671 5.319 -5.133
76 1HZ LYS 9 1HZ LYS 9 -9.565 8.064 -5.773
77 2HZ LYS 9 2HZ LYS 9 -10.509 6.696 -5.461
78 3HZ LYS 9 3HZ LYS 9 -9.650 6.816 -6.913
79 H VAL 10 H VAL 10 -8.922 4.608 -0.592
80 HA VAL 10 HA VAL 10 -10.949 3.467 1.216
81 HB VAL 10 HB VAL 10 -9.479 2.041 -0.995
82 1HG1 VAL 10 1HG1 VAL 10 -9.712 0.418 0.639
83 2HG1 VAL 10 2HG1 VAL 10 -11.176 0.207 -0.322
84 3HG1 VAL 10 3HG1 VAL 10 -11.246 1.072 1.213
85 1HG2 VAL 10 1HG2 VAL 10 -11.929 1.665 -1.741
86 2HG2 VAL 10 2HG2 VAL 10 -11.167 3.222 -2.067
87 3HG2 VAL 10 3HG2 VAL 10 -12.283 3.053 -0.712
88 H LEU 11 H LEU 11 -7.873 4.492 1.078
89 HA LEU 11 HA LEU 11 -5.977 2.865 1.806
90 1HB LEU 11 2HB LEU 11 -5.733 4.438 3.999
91 2HB LEU 11 1HB LEU 11 -5.212 4.881 2.386
92 HG LEU 11 HG LEU 11 -7.225 6.154 2.018
93 1HD1 LEU 11 1HD1 LEU 11 -8.072 5.128 4.722
94 2HD1 LEU 11 2HD1 LEU 11 -8.852 4.816 3.173
95 3HD1 LEU 11 3HD1 LEU 11 -8.875 6.439 3.858
96 1HD2 LEU 11 1HD2 LEU 11 -5.223 6.842 3.732
97 2HD2 LEU 11 2HD2 LEU 11 -6.657 7.140 4.713
98 3HD2 LEU 11 3HD2 LEU 11 -6.479 7.936 3.149
99 H ILE 12 H ILE 12 -6.182 0.904 2.625
100 HA ILE 12 HA ILE 12 -7.253 0.624 5.343
101 HB ILE 12 HB ILE 12 -7.688 -1.852 4.288
102 1HG1 ILE 12 2HG1 ILE 12 -9.259 -0.598 2.271
103 2HG1 ILE 12 1HG1 ILE 12 -7.587 -0.119 2.029
104 1HG2 ILE 12 1HG2 ILE 12 -9.143 0.103 5.533
105 2HG2 ILE 12 2HG2 ILE 12 -9.709 -1.518 5.127
106 3HG2 ILE 12 3HG2 ILE 12 -10.037 -0.171 4.036
107 1HD1 ILE 12 1HD1 ILE 12 -8.826 -2.535 1.316
108 2HD1 ILE 12 2HD1 ILE 12 -7.661 -2.903 2.588
109 3HD1 ILE 12 3HD1 ILE 12 -7.135 -2.074 1.122
110 H ARG 13 H ARG 13 -5.672 -0.068 6.646
111 HA ARG 13 HA ARG 13 -3.214 -1.118 5.734
112 1HB ARG 13 2HB ARG 13 -4.320 -0.323 8.208
113 2HB ARG 13 1HB ARG 13 -3.816 -1.995 8.413
114 1HG ARG 13 2HG ARG 13 -1.646 -1.471 8.381
115 2HG ARG 13 1HG ARG 13 -1.843 -0.307 7.069
116 1HD ARG 13 2HD ARG 13 -1.229 1.029 8.860
117 2HD ARG 13 1HD ARG 13 -2.987 1.160 8.849
118 HE ARG 13 HE ARG 13 -1.923 -0.909 10.565
119 1HH1 ARG 13 1HH1 ARG 13 -2.947 2.408 10.302
120 2HH1 ARG 13 2HH1 ARG 13 -3.269 2.580 11.995
121 1HH2 ARG 13 1HH2 ARG 13 -2.345 -0.697 12.796
122 2HH2 ARG 13 2HH2 ARG 13 -2.929 0.812 13.414
123 H SER 14 H SER 14 -6.291 -2.465 6.249
124 HA SER 14 HA SER 14 -6.368 -4.921 6.998
125 1HB SER 14 2HB SER 14 -7.188 -3.989 4.259
126 2HB SER 14 1HB SER 14 -7.576 -5.602 4.857
127 HG SER 14 HG SER 14 -8.739 -4.659 6.536
128 H ARG 15 H ARG 15 -5.614 -4.956 3.592
129 HA ARG 15 HA ARG 15 -3.028 -5.999 3.734
130 1HB ARG 15 2HB ARG 15 -3.374 -8.373 3.366
131 2HB ARG 15 1HB ARG 15 -4.134 -7.896 4.878
132 1HG ARG 15 2HG ARG 15 -6.247 -8.232 4.087
133 2HG ARG 15 1HG ARG 15 -5.791 -7.902 2.415
134 1HD ARG 15 2HD ARG 15 -5.172 -10.389 4.001
135 2HD ARG 15 1HD ARG 15 -6.318 -10.243 2.672
136 HE ARG 15 HE ARG 15 -4.541 -10.160 1.160
137 1HH1 ARG 15 1HH1 ARG 15 -3.394 -10.363 4.452
138 2HH1 ARG 15 2HH1 ARG 15 -1.793 -10.834 3.995
139 1HH2 ARG 15 1HH2 ARG 15 -2.437 -10.775 0.560
140 2HH2 ARG 15 2HH2 ARG 15 -1.248 -11.065 1.786
141 H SER 16 H SER 16 -4.630 -4.254 2.183
142 HA SER 16 HA SER 16 -3.711 -5.000 -0.408
143 1HB SER 16 2HB SER 16 -6.626 -4.675 -0.602
144 2HB SER 16 1HB SER 16 -5.549 -5.771 -1.467
145 HG SER 16 HG SER 16 -6.784 -6.097 1.042
146 H ASN 17 H ASN 17 -3.147 -2.757 0.981
147 HA ASN 17 HA ASN 17 -4.064 -0.736 -0.808
148 1HB ASN 17 2HB ASN 17 -5.535 -1.137 1.600
149 2HB ASN 17 1HB ASN 17 -4.677 0.395 1.713
150 1HD2 ASN 17 1HD2 ASN 17 -6.228 -1.358 -0.950
151 2HD2 ASN 17 2HD2 ASN 17 -7.252 -0.056 -1.441
152 H CYS 18 H CYS 18 -3.173 1.422 -0.216
153 HA CYS 18 HA CYS 18 -0.820 1.340 1.503
154 1HB CYS 18 2HB CYS 18 -0.241 2.725 -0.989
155 2HB CYS 18 1HB CYS 18 0.711 1.527 -0.133
156 HA PRO 19 HA PRO 19 -2.285 5.327 2.677
157 1HB PRO 19 2HB PRO 19 0.549 6.087 3.058
158 2HB PRO 19 1HB PRO 19 -0.773 6.050 4.228
159 1HG PRO 19 2HG PRO 19 1.181 4.223 4.274
160 2HG PRO 19 1HG PRO 19 -0.493 3.802 4.674
161 1HD PRO 19 2HD PRO 19 1.040 3.301 2.156
162 2HD PRO 19 1HD PRO 19 -0.125 2.255 2.994
163 H LYS 20 H LYS 20 -0.486 7.622 2.450
164 HA LYS 20 HA LYS 20 -1.057 8.316 -0.318
165 1HB LYS 20 2HB LYS 20 -0.466 10.604 0.392
166 2HB LYS 20 1HB LYS 20 -1.702 9.892 1.421
167 1HG LYS 20 2HG LYS 20 0.256 9.235 2.955
168 2HG LYS 20 1HG LYS 20 1.178 10.421 2.033
169 1HD LYS 20 2HD LYS 20 0.300 12.063 3.246
170 2HD LYS 20 1HD LYS 20 -1.322 11.582 2.742
171 1HE LYS 20 2HE LYS 20 -1.345 11.489 5.092
172 2HE LYS 20 1HE LYS 20 -1.200 9.814 4.559
173 1HZ LYS 20 1HZ LYS 20 0.535 9.717 5.927
174 2HZ LYS 20 2HZ LYS 20 0.621 11.397 6.103
175 3HZ LYS 20 3HZ LYS 20 1.378 10.645 4.790
176 H GLY 21 H GLY 21 0.470 8.829 -1.862
177 1HA GLY 21 2HA GLY 21 2.513 8.361 -2.907
178 2HA GLY 21 1HA GLY 21 3.017 9.611 -1.777
179 H LYS 22 H LYS 22 1.956 6.363 -1.015
180 HA LYS 22 HA LYS 22 4.273 5.900 0.612
181 1HB LYS 22 2HB LYS 22 3.055 3.592 0.824
182 2HB LYS 22 1HB LYS 22 2.378 5.022 1.585
183 1HG LYS 22 2HG LYS 22 0.785 3.537 0.328
184 2HG LYS 22 1HG LYS 22 0.731 5.252 -0.056
185 1HD LYS 22 2HD LYS 22 0.628 3.984 -2.109
186 2HD LYS 22 1HD LYS 22 2.174 4.826 -2.024
187 1HE LYS 22 2HE LYS 22 2.939 2.536 -0.926
188 2HE LYS 22 1HE LYS 22 1.578 1.919 -1.853
189 1HZ LYS 22 1HZ LYS 22 3.812 3.496 -3.000
190 2HZ LYS 22 2HZ LYS 22 2.536 2.792 -3.856
191 3HZ LYS 22 3HZ LYS 22 3.673 1.813 -3.080
192 H VAL 23 H VAL 23 4.687 3.196 0.325
193 HA VAL 23 HA VAL 23 5.372 2.578 -2.389
194 HB VAL 23 HB VAL 23 7.780 2.157 -1.554
195 1HG1 VAL 23 1HG1 VAL 23 8.461 4.292 -2.433
196 2HG1 VAL 23 2HG1 VAL 23 6.876 4.978 -2.076
197 3HG1 VAL 23 3HG1 VAL 23 7.041 3.743 -3.322
198 1HG2 VAL 23 1HG2 VAL 23 6.672 3.469 0.703
199 2HG2 VAL 23 2HG2 VAL 23 7.903 4.515 -0.002
200 3HG2 VAL 23 3HG2 VAL 23 8.314 2.868 0.477
201 H TRP 24 H TRP 24 4.865 0.483 -2.564
202 HA TRP 24 HA TRP 24 4.502 -1.197 -0.335
203 1HB TRP 24 2HB TRP 24 3.130 -1.692 -2.135
204 2HB TRP 24 1HB TRP 24 4.435 -1.521 -3.283
205 HD1 TRP 24 HD TRP 24 5.872 -3.682 -3.839
206 HE1 TRP 24 1HE TRP 24 5.471 -6.181 -3.413
207 HE3 TRP 24 3HE TRP 24 2.249 -3.295 -0.293
208 HZ2 TRP 24 2HZ TRP 24 3.823 -7.781 -1.786
209 HZ3 TRP 24 3HZ TRP 24 1.331 -5.367 0.669
210 HH2 TRP 24 HH TRP 24 2.087 -7.553 -0.065
211 H ASN 25 H ASN 25 5.455 -3.411 -0.323
212 HA ASN 25 HA ASN 25 8.260 -3.574 -1.070
213 1HB ASN 25 2HB ASN 25 8.000 -2.437 1.247
214 2HB ASN 25 1HB ASN 25 7.533 -4.036 1.815
215 1HD2 ASN 25 1HD2 ASN 25 9.101 -5.222 2.594
216 2HD2 ASN 25 2HD2 ASN 25 10.777 -5.095 2.194
217 H GLY 26 H GLY 26 9.104 -5.795 -0.039
218 1HA GLY 26 2HA GLY 26 8.223 -7.901 -1.317
219 2HA GLY 26 1HA GLY 26 8.700 -8.068 0.360
220 H PHE 27 H PHE 27 6.386 -6.651 1.480
221 HA PHE 27 HA PHE 27 4.046 -7.941 0.506
222 1HB PHE 27 2HB PHE 27 5.540 -9.111 2.797
223 2HB PHE 27 1HB PHE 27 3.781 -9.102 2.872
224 HD1 PHE 27 1HD PHE 27 2.731 -9.820 0.433
225 HD2 PHE 27 2HD PHE 27 6.446 -11.078 2.085
226 HE1 PHE 27 1HE PHE 27 2.666 -11.844 -0.967
227 HE2 PHE 27 2HE PHE 27 6.388 -13.102 0.688
228 HZ PHE 27 HZ PHE 27 4.496 -13.487 -0.841
229 H ASP 28 H ASP 28 4.468 -5.248 0.901
230 HA ASP 28 HA ASP 28 2.364 -4.606 2.730
231 1HB ASP 28 2HB ASP 28 5.186 -4.182 3.591
232 2HB ASP 28 1HB ASP 28 3.936 -3.049 4.094
233 H CYS 29 H CYS 29 1.472 -2.682 2.260
234 HA CYS 29 HA CYS 29 2.823 -1.039 0.239
235 1HB CYS 29 2HB CYS 29 0.166 -1.997 0.553
236 2HB CYS 29 1HB CYS 29 0.121 -0.245 0.700
237 H LYS 30 H LYS 30 4.092 0.393 1.450
238 HA LYS 30 HA LYS 30 2.676 2.461 2.835
239 1HB LYS 30 2HB LYS 30 3.639 0.238 4.310
240 2HB LYS 30 1HB LYS 30 4.603 1.640 4.746
241 1HG LYS 30 2HG LYS 30 2.964 2.086 6.171
242 2HG LYS 30 1HG LYS 30 2.117 2.692 4.754
243 1HD LYS 30 2HD LYS 30 0.892 1.060 6.330
244 2HD LYS 30 1HD LYS 30 0.772 0.809 4.592
245 1HE LYS 30 2HE LYS 30 2.110 -1.063 4.634
246 2HE LYS 30 1HE LYS 30 2.957 -0.552 6.094
247 1HZ LYS 30 1HZ LYS 30 1.300 -1.344 7.443
248 2HZ LYS 30 2HZ LYS 30 1.233 -2.474 6.186
249 3HZ LYS 30 3HZ LYS 30 0.100 -1.220 6.256
250 H SER 31 H SER 31 3.780 4.344 2.964
251 HA SER 31 HA SER 31 5.760 5.022 1.275
252 1HB SER 31 2HB SER 31 6.241 6.575 3.605
253 2HB SER 31 1HB SER 31 5.329 7.022 2.165
254 HG SER 31 HG SER 31 4.437 6.170 4.641
255 HA PRO 32 HA PRO 32 9.780 3.820 2.511
256 1HB PRO 32 2HB PRO 32 10.780 6.573 2.679
257 2HB PRO 32 1HB PRO 32 11.189 5.302 1.524
258 1HG PRO 32 2HG PRO 32 9.731 7.463 0.832
259 2HG PRO 32 1HG PRO 32 9.488 5.873 0.089
260 1HD PRO 32 2HD PRO 32 7.887 7.239 2.214
261 2HD PRO 32 1HD PRO 32 7.333 6.263 0.838
262 H PHE 33 H PHE 33 7.949 5.712 4.564
263 HA PHE 33 HA PHE 33 9.799 6.237 6.646
264 1HB PHE 33 2HB PHE 33 6.909 5.665 7.193
265 2HB PHE 33 1HB PHE 33 7.962 6.862 7.935
266 HD1 PHE 33 1HD PHE 33 5.112 7.087 6.673
267 HD2 PHE 33 2HD PHE 33 9.035 8.011 5.314
268 HE1 PHE 33 1HE PHE 33 4.182 8.805 5.180
269 HE2 PHE 33 2HE PHE 33 8.114 9.733 3.817
270 HZ PHE 33 HZ PHE 33 5.685 10.134 3.749
271 H ALA 34 H ALA 34 8.039 3.507 5.564
272 HA ALA 34 HA ALA 34 8.552 1.927 7.960
273 1HB ALA 34 1HB ALA 34 6.378 1.875 6.674
274 2HB ALA 34 2HB ALA 34 7.116 0.309 7.009
275 3HB ALA 34 3HB ALA 34 7.257 1.026 5.404
276 H PHE 35 H PHE 35 8.704 -0.498 6.378
277 HA PHE 35 HA PHE 35 11.061 -1.504 6.455
278 1HB PHE 35 2HB PHE 35 10.498 -1.863 3.685
279 2HB PHE 35 1HB PHE 35 10.193 -2.977 5.014
280 HD1 PHE 35 1HD PHE 35 8.737 -0.669 2.647
281 HD2 PHE 35 2HD PHE 35 8.001 -2.895 6.200
282 HE1 PHE 35 1HE PHE 35 6.315 -0.387 2.320
283 HE2 PHE 35 2HE PHE 35 5.579 -2.619 5.876
284 HZ PHE 35 HZ PHE 35 4.733 -1.362 3.934
285 H SER 36 H SER 36 10.555 0.019 3.307
286 HA SER 36 HA SER 36 13.138 1.392 3.566
287 1HB SER 36 2HB SER 36 13.832 0.674 1.356
288 2HB SER 36 1HB SER 36 13.459 -0.751 2.327
289 HG SER 36 HG SER 36 12.523 -0.297 0.004
Start of MODEL 18
1 1H GLU 1 1HT GLU 1 -5.002 -12.501 -3.491
2 2H GLU 1 2HT GLU 1 -5.926 -11.092 -3.817
3 3H GLU 1 3HT GLU 1 -5.377 -11.410 -2.223
4 HA GLU 1 HA GLU 1 -3.693 -10.136 -2.658
5 1HB GLU 1 2HB GLU 1 -3.152 -12.747 -3.545
6 2HB GLU 1 1HB GLU 1 -2.455 -11.687 -4.762
7 1HG GLU 1 2HG GLU 1 -0.683 -11.751 -3.383
8 2HG GLU 1 1HG GLU 1 -1.562 -10.466 -2.555
9 H LEU 2 H LEU 2 -5.201 -8.575 -3.688
10 HA LEU 2 HA LEU 2 -4.932 -8.346 -6.587
11 1HB LEU 2 2HB LEU 2 -6.713 -7.124 -4.526
12 2HB LEU 2 1HB LEU 2 -6.467 -6.273 -6.038
13 HG LEU 2 HG LEU 2 -7.297 -9.146 -6.090
14 1HD1 LEU 2 1HD1 LEU 2 -9.199 -6.830 -5.778
15 2HD1 LEU 2 2HD1 LEU 2 -8.820 -8.005 -4.519
16 3HD1 LEU 2 3HD1 LEU 2 -9.624 -8.527 -5.999
17 1HD2 LEU 2 1HD2 LEU 2 -6.680 -8.159 -8.187
18 2HD2 LEU 2 2HD2 LEU 2 -7.722 -6.767 -7.889
19 3HD2 LEU 2 3HD2 LEU 2 -8.432 -8.359 -8.156
20 HA PRO 3 HA PRO 3 -1.483 -5.570 -6.218
21 1HB PRO 3 2HB PRO 3 -2.454 -4.619 -8.857
22 2HB PRO 3 1HB PRO 3 -0.858 -5.219 -8.394
23 1HG PRO 3 2HG PRO 3 -2.519 -6.716 -9.852
24 2HG PRO 3 1HG PRO 3 -1.483 -7.438 -8.608
25 1HD PRO 3 2HD PRO 3 -4.408 -6.832 -8.525
26 2HD PRO 3 1HD PRO 3 -3.523 -8.214 -7.848
27 H LYS 4 H LYS 4 -2.301 -4.224 -4.581
28 HA LYS 4 HA LYS 4 -4.221 -2.169 -5.184
29 1HB LYS 4 2HB LYS 4 -3.926 -1.482 -2.877
30 2HB LYS 4 1HB LYS 4 -4.094 -3.231 -2.958
31 1HG LYS 4 2HG LYS 4 -1.331 -2.255 -3.070
32 2HG LYS 4 1HG LYS 4 -2.179 -1.929 -1.557
33 1HD LYS 4 2HD LYS 4 -2.336 -4.134 -1.012
34 2HD LYS 4 1HD LYS 4 -2.446 -4.653 -2.694
35 1HE LYS 4 2HE LYS 4 0.073 -3.702 -2.660
36 2HE LYS 4 1HE LYS 4 -0.076 -4.228 -0.984
37 1HZ LYS 4 1HZ LYS 4 -0.075 -5.816 -3.439
38 2HZ LYS 4 2HZ LYS 4 -1.044 -6.359 -2.162
39 3HZ LYS 4 3HZ LYS 4 0.619 -6.153 -1.932
40 H LEU 5 H LEU 5 -3.837 0.097 -4.974
41 HA LEU 5 HA LEU 5 -1.238 1.212 -4.840
42 1HB LEU 5 2HB LEU 5 -1.727 2.162 -7.342
43 2HB LEU 5 1HB LEU 5 -0.621 0.855 -6.967
44 HG LEU 5 HG LEU 5 -2.553 -0.738 -7.359
45 1HD1 LEU 5 1HD1 LEU 5 -4.044 1.576 -7.383
46 2HD1 LEU 5 2HD1 LEU 5 -4.578 -0.013 -7.931
47 3HD1 LEU 5 3HD1 LEU 5 -3.927 1.146 -9.089
48 1HD2 LEU 5 1HD2 LEU 5 -1.134 -0.882 -9.112
49 2HD2 LEU 5 2HD2 LEU 5 -1.097 0.863 -9.368
50 3HD2 LEU 5 3HD2 LEU 5 -2.461 -0.087 -9.960
51 HA PRO 6 HA PRO 6 -4.746 4.245 -4.463
52 1HB PRO 6 2HB PRO 6 -5.740 3.756 -2.013
53 2HB PRO 6 1HB PRO 6 -6.236 2.808 -3.418
54 1HG PRO 6 2HG PRO 6 -4.595 2.003 -1.130
55 2HG PRO 6 1HG PRO 6 -5.402 0.993 -2.338
56 1HD PRO 6 2HD PRO 6 -2.618 1.888 -2.242
57 2HD PRO 6 1HD PRO 6 -3.358 0.632 -3.245
58 H ASP 7 H ASP 7 -5.167 5.763 -2.330
59 HA ASP 7 HA ASP 7 -3.113 6.158 -0.500
60 1HB ASP 7 2HB ASP 7 -2.308 8.381 -1.782
61 2HB ASP 7 1HB ASP 7 -1.477 6.834 -1.917
62 H ASP 8 H ASP 8 -5.397 7.827 -2.611
63 HA ASP 8 HA ASP 8 -6.341 9.325 -0.258
64 1HB ASP 8 2HB ASP 8 -6.969 11.141 -1.966
65 2HB ASP 8 1HB ASP 8 -5.268 10.983 -1.535
66 H LYS 9 H LYS 9 -7.452 6.927 -0.838
67 HA LYS 9 HA LYS 9 -10.109 7.705 -1.790
68 1HB LYS 9 2HB LYS 9 -9.135 4.979 -2.489
69 2HB LYS 9 1HB LYS 9 -10.319 5.989 -3.307
70 1HG LYS 9 2HG LYS 9 -7.467 6.841 -3.303
71 2HG LYS 9 1HG LYS 9 -7.971 5.527 -4.367
72 1HD LYS 9 2HD LYS 9 -9.637 7.982 -4.337
73 2HD LYS 9 1HD LYS 9 -8.055 8.082 -5.114
74 1HE LYS 9 2HE LYS 9 -9.836 5.783 -5.764
75 2HE LYS 9 1HE LYS 9 -10.197 7.360 -6.465
76 1HZ LYS 9 1HZ LYS 9 -7.445 6.810 -6.735
77 2HZ LYS 9 2HZ LYS 9 -8.598 7.058 -7.947
78 3HZ LYS 9 3HZ LYS 9 -8.331 5.502 -7.341
79 H VAL 10 H VAL 10 -8.383 4.880 -0.508
80 HA VAL 10 HA VAL 10 -10.227 4.811 1.756
81 HB VAL 10 HB VAL 10 -9.736 2.517 -0.133
82 1HG1 VAL 10 1HG1 VAL 10 -10.363 2.516 2.730
83 2HG1 VAL 10 2HG1 VAL 10 -9.705 1.238 1.708
84 3HG1 VAL 10 3HG1 VAL 10 -11.443 1.535 1.739
85 1HG2 VAL 10 1HG2 VAL 10 -12.352 3.609 0.874
86 2HG2 VAL 10 2HG2 VAL 10 -12.071 2.526 -0.490
87 3HG2 VAL 10 3HG2 VAL 10 -11.565 4.213 -0.585
88 H LEU 11 H LEU 11 -7.247 3.694 0.258
89 HA LEU 11 HA LEU 11 -5.420 2.604 1.155
90 1HB LEU 11 2HB LEU 11 -4.362 4.072 2.926
91 2HB LEU 11 1HB LEU 11 -4.725 4.827 1.387
92 HG LEU 11 HG LEU 11 -6.924 5.147 3.245
93 1HD1 LEU 11 1HD1 LEU 11 -5.595 5.244 5.099
94 2HD1 LEU 11 2HD1 LEU 11 -5.462 6.913 4.543
95 3HD1 LEU 11 3HD1 LEU 11 -4.174 5.761 4.189
96 1HD2 LEU 11 1HD2 LEU 11 -7.134 6.924 1.940
97 2HD2 LEU 11 2HD2 LEU 11 -5.600 6.538 1.159
98 3HD2 LEU 11 3HD2 LEU 11 -5.627 7.580 2.582
99 H ILE 12 H ILE 12 -7.206 0.942 1.974
100 HA ILE 12 HA ILE 12 -7.657 0.829 4.778
101 HB ILE 12 HB ILE 12 -7.961 -1.732 4.194
102 1HG1 ILE 12 2HG1 ILE 12 -8.907 -0.908 1.568
103 2HG1 ILE 12 1HG1 ILE 12 -7.160 -0.808 1.719
104 1HG2 ILE 12 1HG2 ILE 12 -9.799 0.529 3.535
105 2HG2 ILE 12 2HG2 ILE 12 -9.785 -0.512 4.958
106 3HG2 ILE 12 3HG2 ILE 12 -10.298 -1.157 3.399
107 1HD1 ILE 12 1HD1 ILE 12 -8.509 -3.265 2.667
108 2HD1 ILE 12 2HD1 ILE 12 -6.903 -3.050 1.971
109 3HD1 ILE 12 3HD1 ILE 12 -8.328 -3.008 0.933
110 H ARG 13 H ARG 13 -5.994 0.724 6.137
111 HA ARG 13 HA ARG 13 -3.470 -0.337 5.610
112 1HB ARG 13 2HB ARG 13 -4.920 0.654 7.927
113 2HB ARG 13 1HB ARG 13 -3.843 -0.671 8.346
114 1HG ARG 13 2HG ARG 13 -2.080 0.660 6.995
115 2HG ARG 13 1HG ARG 13 -3.184 2.017 7.226
116 1HD ARG 13 2HD ARG 13 -2.846 0.637 9.706
117 2HD ARG 13 1HD ARG 13 -1.262 1.006 9.025
118 HE ARG 13 HE ARG 13 -1.677 3.256 9.328
119 1HH1 ARG 13 1HH1 ARG 13 -4.570 1.412 9.921
120 2HH1 ARG 13 2HH1 ARG 13 -5.429 2.741 10.624
121 1HH2 ARG 13 1HH2 ARG 13 -2.802 5.017 10.247
122 2HH2 ARG 13 2HH2 ARG 13 -4.425 4.791 10.809
123 H SER 14 H SER 14 -6.441 -1.853 6.256
124 HA SER 14 HA SER 14 -6.242 -4.115 7.538
125 1HB SER 14 2HB SER 14 -7.398 -3.510 4.890
126 2HB SER 14 1HB SER 14 -7.211 -5.222 5.269
127 HG SER 14 HG SER 14 -8.610 -5.033 6.905
128 H ARG 15 H ARG 15 -5.487 -4.590 4.149
129 HA ARG 15 HA ARG 15 -2.819 -5.365 4.442
130 1HB ARG 15 2HB ARG 15 -2.811 -7.671 4.702
131 2HB ARG 15 1HB ARG 15 -4.094 -7.181 5.798
132 1HG ARG 15 2HG ARG 15 -5.538 -8.476 4.737
133 2HG ARG 15 1HG ARG 15 -5.208 -7.657 3.210
134 1HD ARG 15 2HD ARG 15 -3.130 -9.541 4.080
135 2HD ARG 15 1HD ARG 15 -4.687 -10.279 3.709
136 HE ARG 15 HE ARG 15 -4.312 -8.743 1.561
137 1HH1 ARG 15 1HH1 ARG 15 -2.157 -10.921 3.217
138 2HH1 ARG 15 2HH1 ARG 15 -1.265 -11.332 1.791
139 1HH2 ARG 15 1HH2 ARG 15 -3.146 -9.280 -0.327
140 2HH2 ARG 15 2HH2 ARG 15 -1.825 -10.396 -0.226
141 H SER 16 H SER 16 -4.530 -3.993 2.666
142 HA SER 16 HA SER 16 -3.550 -5.070 0.197
143 1HB SER 16 2HB SER 16 -6.547 -4.892 0.317
144 2HB SER 16 1HB SER 16 -5.532 -5.714 -0.869
145 HG SER 16 HG SER 16 -5.489 -7.418 0.365
146 H ASN 17 H ASN 17 -2.989 -2.654 1.253
147 HA ASN 17 HA ASN 17 -3.894 -0.886 -0.786
148 1HB ASN 17 2HB ASN 17 -5.376 -0.979 1.659
149 2HB ASN 17 1HB ASN 17 -4.577 0.579 1.519
150 1HD2 ASN 17 1HD2 ASN 17 -5.665 -1.418 -1.147
151 2HD2 ASN 17 2HD2 ASN 17 -6.884 -0.333 -1.714
152 H CYS 18 H CYS 18 -2.954 1.258 -0.606
153 HA CYS 18 HA CYS 18 -0.564 1.368 1.106
154 1HB CYS 18 2HB CYS 18 -0.298 2.741 -1.467
155 2HB CYS 18 1HB CYS 18 0.836 1.695 -0.654
156 HA PRO 19 HA PRO 19 -2.368 5.187 2.449
157 1HB PRO 19 2HB PRO 19 -0.047 6.285 3.447
158 2HB PRO 19 1HB PRO 19 -1.053 5.117 4.312
159 1HG PRO 19 2HG PRO 19 1.430 4.653 2.705
160 2HG PRO 19 1HG PRO 19 0.964 3.964 4.274
161 1HD PRO 19 2HD PRO 19 0.699 2.552 2.028
162 2HD PRO 19 1HD PRO 19 -0.526 2.465 3.307
163 H LYS 20 H LYS 20 -1.355 7.619 2.474
164 HA LYS 20 HA LYS 20 -1.334 8.429 -0.243
165 1HB LYS 20 2HB LYS 20 -0.839 10.688 0.712
166 2HB LYS 20 1HB LYS 20 -2.241 9.903 1.431
167 1HG LYS 20 2HG LYS 20 -0.878 9.208 3.333
168 2HG LYS 20 1HG LYS 20 0.522 10.008 2.617
169 1HD LYS 20 2HD LYS 20 -1.230 12.047 2.582
170 2HD LYS 20 1HD LYS 20 -1.836 11.163 3.983
171 1HE LYS 20 2HE LYS 20 -0.067 12.970 4.385
172 2HE LYS 20 1HE LYS 20 0.174 11.400 5.149
173 1HZ LYS 20 1HZ LYS 20 1.962 10.954 3.875
174 2HZ LYS 20 2HZ LYS 20 2.054 12.639 3.754
175 3HZ LYS 20 3HZ LYS 20 1.345 11.741 2.509
176 H GLY 21 H GLY 21 0.350 9.139 -1.544
177 1HA GLY 21 2HA GLY 21 2.512 8.755 -2.377
178 2HA GLY 21 1HA GLY 21 2.860 9.921 -1.105
179 H LYS 22 H LYS 22 2.564 6.455 -1.764
180 HA LYS 22 HA LYS 22 4.623 5.985 0.258
181 1HB LYS 22 2HB LYS 22 3.410 4.266 1.280
182 2HB LYS 22 1HB LYS 22 2.265 5.565 1.092
183 1HG LYS 22 2HG LYS 22 2.477 3.067 -0.557
184 2HG LYS 22 1HG LYS 22 1.190 3.516 0.560
185 1HD LYS 22 2HD LYS 22 0.162 4.275 -1.275
186 2HD LYS 22 1HD LYS 22 1.211 5.657 -1.073
187 1HE LYS 22 2HE LYS 22 1.080 4.481 -3.383
188 2HE LYS 22 1HE LYS 22 2.642 4.991 -2.761
189 1HZ LYS 22 1HZ LYS 22 1.638 2.263 -2.283
190 2HZ LYS 22 2HZ LYS 22 3.224 2.829 -2.223
191 3HZ LYS 22 3HZ LYS 22 2.447 2.656 -3.712
192 H VAL 23 H VAL 23 4.661 3.203 0.056
193 HA VAL 23 HA VAL 23 4.956 2.405 -2.678
194 HB VAL 23 HB VAL 23 7.550 1.942 -1.719
195 1HG1 VAL 23 1HG1 VAL 23 8.187 3.049 -3.709
196 2HG1 VAL 23 2HG1 VAL 23 6.702 4.000 -3.734
197 3HG1 VAL 23 3HG1 VAL 23 6.644 2.264 -4.047
198 1HG2 VAL 23 1HG2 VAL 23 6.908 4.878 -1.577
199 2HG2 VAL 23 2HG2 VAL 23 8.443 4.085 -1.225
200 3HG2 VAL 23 3HG2 VAL 23 7.064 3.848 -0.153
201 H TRP 24 H TRP 24 4.629 0.258 -2.793
202 HA TRP 24 HA TRP 24 4.385 -1.282 -0.455
203 1HB TRP 24 2HB TRP 24 2.991 -1.999 -2.126
204 2HB TRP 24 1HB TRP 24 4.204 -1.767 -3.354
205 HD1 TRP 24 HD TRP 24 5.912 -3.805 -3.796
206 HE1 TRP 24 1HE TRP 24 5.673 -6.321 -3.335
207 HE3 TRP 24 3HE TRP 24 2.152 -3.604 -0.394
208 HZ2 TRP 24 2HZ TRP 24 4.079 -8.003 -1.723
209 HZ3 TRP 24 3HZ TRP 24 1.338 -5.713 0.588
210 HH2 TRP 24 HH TRP 24 2.270 -7.861 -0.069
211 H ASN 25 H ASN 25 5.413 -3.374 -0.206
212 HA ASN 25 HA ASN 25 8.236 -3.479 -0.968
213 1HB ASN 25 2HB ASN 25 7.854 -2.289 1.302
214 2HB ASN 25 1HB ASN 25 7.431 -3.886 1.908
215 1HD2 ASN 25 1HD2 ASN 25 9.015 -5.053 2.707
216 2HD2 ASN 25 2HD2 ASN 25 10.700 -4.832 2.394
217 H GLY 26 H GLY 26 9.138 -5.629 0.182
218 1HA GLY 26 2HA GLY 26 8.373 -7.807 -1.070
219 2HA GLY 26 1HA GLY 26 8.850 -7.901 0.613
220 H PHE 27 H PHE 27 6.411 -6.508 1.609
221 HA PHE 27 HA PHE 27 4.197 -8.058 0.715
222 1HB PHE 27 2HB PHE 27 3.989 -9.014 3.158
223 2HB PHE 27 1HB PHE 27 4.930 -9.852 1.927
224 HD1 PHE 27 1HD PHE 27 6.279 -11.012 3.562
225 HD2 PHE 27 2HD PHE 27 6.131 -6.760 3.450
226 HE1 PHE 27 1HE PHE 27 8.266 -10.909 5.010
227 HE2 PHE 27 2HE PHE 27 8.118 -6.649 4.897
228 HZ PHE 27 HZ PHE 27 9.189 -8.725 5.677
229 H ASP 28 H ASP 28 4.465 -5.268 0.950
230 HA ASP 28 HA ASP 28 2.178 -4.673 2.547
231 1HB ASP 28 2HB ASP 28 4.862 -4.134 3.704
232 2HB ASP 28 1HB ASP 28 3.567 -2.976 3.989
233 H CYS 29 H CYS 29 1.323 -2.650 2.153
234 HA CYS 29 HA CYS 29 2.731 -1.064 0.115
235 1HB CYS 29 2HB CYS 29 0.057 -2.005 0.318
236 2HB CYS 29 1HB CYS 29 0.031 -0.251 0.420
237 H LYS 30 H LYS 30 3.937 0.400 1.309
238 HA LYS 30 HA LYS 30 2.480 2.551 2.516
239 1HB LYS 30 2HB LYS 30 4.432 1.552 4.487
240 2HB LYS 30 1HB LYS 30 2.894 2.359 4.733
241 1HG LYS 30 2HG LYS 30 2.902 -0.444 3.762
242 2HG LYS 30 1HG LYS 30 3.269 -0.114 5.450
243 1HD LYS 30 2HD LYS 30 1.158 0.619 5.917
244 2HD LYS 30 1HD LYS 30 0.882 1.210 4.278
245 1HE LYS 30 2HE LYS 30 0.804 -1.199 3.542
246 2HE LYS 30 1HE LYS 30 0.813 -1.644 5.247
247 1HZ LYS 30 1HZ LYS 30 -1.269 -0.688 5.583
248 2HZ LYS 30 2HZ LYS 30 -1.426 -1.457 4.084
249 3HZ LYS 30 3HZ LYS 30 -1.206 0.218 4.155
250 H SER 31 H SER 31 3.970 4.172 3.507
251 HA SER 31 HA SER 31 5.786 5.044 1.604
252 1HB SER 31 2HB SER 31 5.934 5.803 4.527
253 2HB SER 31 1HB SER 31 6.384 6.781 3.131
254 HG SER 31 HG SER 31 4.143 6.745 2.536
255 HA PRO 32 HA PRO 32 9.593 3.016 2.450
256 1HB PRO 32 2HB PRO 32 11.192 5.417 2.226
257 2HB PRO 32 1HB PRO 32 10.994 4.114 1.055
258 1HG PRO 32 2HG PRO 32 10.027 6.651 0.701
259 2HG PRO 32 1HG PRO 32 9.343 5.212 -0.071
260 1HD PRO 32 2HD PRO 32 8.372 6.733 2.308
261 2HD PRO 32 1HD PRO 32 7.444 5.941 1.017
262 H PHE 33 H PHE 33 8.632 5.611 4.424
263 HA PHE 33 HA PHE 33 10.822 5.645 6.226
264 1HB PHE 33 2HB PHE 33 8.070 6.279 7.168
265 2HB PHE 33 1HB PHE 33 9.580 7.138 7.451
266 HD1 PHE 33 1HD PHE 33 6.765 8.155 6.546
267 HD2 PHE 33 2HD PHE 33 10.395 7.291 4.500
268 HE1 PHE 33 1HE PHE 33 6.158 9.772 4.795
269 HE2 PHE 33 2HE PHE 33 9.795 8.909 2.746
270 HZ PHE 33 HZ PHE 33 7.674 10.152 2.893
271 H ALA 34 H ALA 34 8.209 3.495 5.714
272 HA ALA 34 HA ALA 34 8.668 2.206 8.318
273 1HB ALA 34 1HB ALA 34 6.307 2.060 6.453
274 2HB ALA 34 2HB ALA 34 6.372 2.842 8.033
275 3HB ALA 34 3HB ALA 34 6.485 1.085 7.912
276 H PHE 35 H PHE 35 10.533 1.841 6.302
277 HA PHE 35 HA PHE 35 10.579 -1.007 6.125
278 1HB PHE 35 2HB PHE 35 10.230 0.569 3.566
279 2HB PHE 35 1HB PHE 35 10.715 -1.121 3.636
280 HD1 PHE 35 1HD PHE 35 7.996 1.113 3.410
281 HD2 PHE 35 2HD PHE 35 9.104 -2.720 4.889
282 HE1 PHE 35 1HE PHE 35 5.628 0.445 3.440
283 HE2 PHE 35 2HE PHE 35 6.739 -3.395 4.920
284 HZ PHE 35 HZ PHE 35 4.998 -1.811 4.196
285 H SER 36 H SER 36 11.895 2.076 5.060
286 HA SER 36 HA SER 36 14.526 1.355 5.881
287 1HB SER 36 2HB SER 36 13.934 1.513 2.921
288 2HB SER 36 1HB SER 36 15.558 1.674 3.589
289 HG SER 36 HG SER 36 14.714 -0.460 4.699
Start of MODEL 19
1 1H GLU 1 1HT GLU 1 -7.165 -11.422 -5.990
2 2H GLU 1 2HT GLU 1 -5.704 -11.770 -6.820
3 3H GLU 1 3HT GLU 1 -6.810 -10.628 -7.467
4 HA GLU 1 HA GLU 1 -6.478 -9.304 -5.427
5 1HB GLU 1 2HB GLU 1 -5.586 -10.942 -3.959
6 2HB GLU 1 1HB GLU 1 -4.358 -11.424 -5.121
7 1HG GLU 1 2HG GLU 1 -2.985 -10.149 -3.925
8 2HG GLU 1 1HG GLU 1 -3.765 -8.788 -4.729
9 H LEU 2 H LEU 2 -5.927 -7.508 -6.458
10 HA LEU 2 HA LEU 2 -3.681 -7.590 -8.355
11 1HB LEU 2 2HB LEU 2 -5.855 -5.507 -8.146
12 2HB LEU 2 1HB LEU 2 -4.649 -5.644 -9.412
13 HG LEU 2 HG LEU 2 -6.610 -7.862 -8.924
14 1HD1 LEU 2 1HD1 LEU 2 -8.231 -6.348 -9.344
15 2HD1 LEU 2 2HD1 LEU 2 -7.714 -6.595 -11.013
16 3HD1 LEU 2 3HD1 LEU 2 -7.121 -5.205 -10.103
17 1HD2 LEU 2 1HD2 LEU 2 -5.637 -8.775 -10.696
18 2HD2 LEU 2 2HD2 LEU 2 -4.442 -7.478 -10.655
19 3HD2 LEU 2 3HD2 LEU 2 -5.890 -7.312 -11.648
20 HA PRO 3 HA PRO 3 -1.081 -5.133 -5.810
21 1HB PRO 3 2HB PRO 3 -0.064 -3.409 -7.733
22 2HB PRO 3 1HB PRO 3 0.549 -5.029 -7.388
23 1HG PRO 3 2HG PRO 3 -1.309 -4.126 -9.544
24 2HG PRO 3 1HG PRO 3 -0.001 -5.323 -9.615
25 1HD PRO 3 2HD PRO 3 -2.571 -6.070 -9.475
26 2HD PRO 3 1HD PRO 3 -1.298 -6.980 -8.634
27 H LYS 4 H LYS 4 -2.459 -3.983 -4.501
28 HA LYS 4 HA LYS 4 -4.143 -1.892 -5.273
29 1HB LYS 4 2HB LYS 4 -4.218 -1.296 -2.908
30 2HB LYS 4 1HB LYS 4 -4.307 -3.041 -3.106
31 1HG LYS 4 2HG LYS 4 -1.572 -2.239 -2.822
32 2HG LYS 4 1HG LYS 4 -2.539 -1.579 -1.501
33 1HD LYS 4 2HD LYS 4 -2.152 -3.604 -0.577
34 2HD LYS 4 1HD LYS 4 -3.515 -4.084 -1.587
35 1HE LYS 4 2HE LYS 4 -2.202 -5.214 -3.068
36 2HE LYS 4 1HE LYS 4 -0.814 -4.158 -2.809
37 1HZ LYS 4 1HZ LYS 4 -1.705 -5.955 -0.655
38 2HZ LYS 4 2HZ LYS 4 -0.165 -5.323 -0.951
39 3HZ LYS 4 3HZ LYS 4 -0.767 -6.569 -1.923
40 H LEU 5 H LEU 5 -3.923 0.353 -5.233
41 HA LEU 5 HA LEU 5 -1.279 1.472 -4.753
42 1HB LEU 5 2HB LEU 5 -2.031 2.754 -7.078
43 2HB LEU 5 1HB LEU 5 -0.782 1.531 -6.920
44 HG LEU 5 HG LEU 5 -2.680 -0.170 -7.316
45 1HD1 LEU 5 1HD1 LEU 5 -4.532 1.388 -7.018
46 2HD1 LEU 5 2HD1 LEU 5 -4.552 0.676 -8.632
47 3HD1 LEU 5 3HD1 LEU 5 -3.973 2.326 -8.403
48 1HD2 LEU 5 1HD2 LEU 5 -1.751 1.671 -9.516
49 2HD2 LEU 5 2HD2 LEU 5 -2.444 0.066 -9.750
50 3HD2 LEU 5 3HD2 LEU 5 -0.902 0.247 -8.914
51 HA PRO 6 HA PRO 6 -5.049 4.336 -4.018
52 1HB PRO 6 2HB PRO 6 -5.725 3.817 -1.458
53 2HB PRO 6 1HB PRO 6 -6.449 2.946 -2.815
54 1HG PRO 6 2HG PRO 6 -4.248 2.100 -0.978
55 2HG PRO 6 1HG PRO 6 -5.610 1.155 -1.601
56 1HD PRO 6 2HD PRO 6 -3.091 1.014 -2.639
57 2HD PRO 6 1HD PRO 6 -4.560 0.710 -3.582
58 H ASP 7 H ASP 7 -5.089 6.096 -2.275
59 HA ASP 7 HA ASP 7 -2.894 6.392 -0.524
60 1HB ASP 7 2HB ASP 7 -1.603 8.079 -1.705
61 2HB ASP 7 1HB ASP 7 -1.666 6.602 -2.657
62 H ASP 8 H ASP 8 -5.100 8.208 -2.623
63 HA ASP 8 HA ASP 8 -5.843 9.816 -0.274
64 1HB ASP 8 2HB ASP 8 -6.110 11.773 -1.705
65 2HB ASP 8 1HB ASP 8 -4.466 11.154 -1.821
66 H LYS 9 H LYS 9 -7.172 7.481 -1.005
67 HA LYS 9 HA LYS 9 -9.751 8.572 -1.900
68 1HB LYS 9 2HB LYS 9 -9.717 5.838 -2.573
69 2HB LYS 9 1HB LYS 9 -9.737 7.212 -3.670
70 1HG LYS 9 2HG LYS 9 -7.231 7.256 -3.500
71 2HG LYS 9 1HG LYS 9 -7.339 5.723 -2.633
72 1HD LYS 9 2HD LYS 9 -6.905 5.240 -4.930
73 2HD LYS 9 1HD LYS 9 -8.577 4.792 -4.591
74 1HE LYS 9 2HE LYS 9 -8.866 7.374 -5.388
75 2HE LYS 9 1HE LYS 9 -7.492 6.863 -6.368
76 1HZ LYS 9 1HZ LYS 9 -8.949 5.925 -7.726
77 2HZ LYS 9 2HZ LYS 9 -10.237 6.218 -6.668
78 3HZ LYS 9 3HZ LYS 9 -9.319 4.806 -6.511
79 H VAL 10 H VAL 10 -8.424 5.565 -0.549
80 HA VAL 10 HA VAL 10 -10.355 5.758 1.658
81 HB VAL 10 HB VAL 10 -9.728 3.279 0.054
82 1HG1 VAL 10 1HG1 VAL 10 -10.093 2.215 1.987
83 2HG1 VAL 10 2HG1 VAL 10 -11.787 2.640 1.735
84 3HG1 VAL 10 3HG1 VAL 10 -10.766 3.652 2.757
85 1HG2 VAL 10 1HG2 VAL 10 -11.642 3.591 -1.057
86 2HG2 VAL 10 2HG2 VAL 10 -11.578 5.250 -0.462
87 3HG2 VAL 10 3HG2 VAL 10 -12.518 4.036 0.407
88 H LEU 11 H LEU 11 -7.357 4.413 0.419
89 HA LEU 11 HA LEU 11 -5.631 3.321 1.486
90 1HB LEU 11 2HB LEU 11 -4.438 4.876 2.974
91 2HB LEU 11 1HB LEU 11 -4.965 5.624 1.479
92 HG LEU 11 HG LEU 11 -7.027 6.101 3.328
93 1HD1 LEU 11 1HD1 LEU 11 -5.867 7.217 5.159
94 2HD1 LEU 11 2HD1 LEU 11 -4.318 6.666 4.521
95 3HD1 LEU 11 3HD1 LEU 11 -5.491 5.495 5.124
96 1HD2 LEU 11 1HD2 LEU 11 -5.059 8.237 2.910
97 2HD2 LEU 11 2HD2 LEU 11 -6.788 8.200 2.564
98 3HD2 LEU 11 3HD2 LEU 11 -5.647 7.470 1.435
99 H ILE 12 H ILE 12 -6.305 1.512 2.510
100 HA ILE 12 HA ILE 12 -7.075 1.755 5.342
101 HB ILE 12 HB ILE 12 -7.467 -0.914 4.493
102 1HG1 ILE 12 2HG1 ILE 12 -9.501 0.382 2.919
103 2HG1 ILE 12 1HG1 ILE 12 -7.912 0.765 2.276
104 1HG2 ILE 12 1HG2 ILE 12 -9.023 1.274 5.655
105 2HG2 ILE 12 2HG2 ILE 12 -8.836 -0.402 6.169
106 3HG2 ILE 12 3HG2 ILE 12 -9.957 0.002 4.870
107 1HD1 ILE 12 1HD1 ILE 12 -9.106 -1.951 2.706
108 2HD1 ILE 12 2HD1 ILE 12 -7.407 -1.686 2.314
109 3HD1 ILE 12 3HD1 ILE 12 -8.663 -1.189 1.179
110 H ARG 13 H ARG 13 -5.937 0.651 6.865
111 HA ARG 13 HA ARG 13 -3.324 -0.308 6.121
112 1HB ARG 13 2HB ARG 13 -4.681 0.509 8.552
113 2HB ARG 13 1HB ARG 13 -3.802 -0.994 8.791
114 1HG ARG 13 2HG ARG 13 -1.930 0.159 9.022
115 2HG ARG 13 1HG ARG 13 -2.099 0.750 7.366
116 1HD ARG 13 2HD ARG 13 -1.893 2.570 9.027
117 2HD ARG 13 1HD ARG 13 -3.404 2.628 8.121
118 HE ARG 13 HE ARG 13 -3.923 1.191 10.426
119 1HH1 ARG 13 1HH1 ARG 13 -2.891 4.409 9.590
120 2HH1 ARG 13 2HH1 ARG 13 -3.599 5.139 10.992
121 1HH2 ARG 13 1HH2 ARG 13 -4.857 2.141 12.275
122 2HH2 ARG 13 2HH2 ARG 13 -4.719 3.850 12.517
123 H SER 14 H SER 14 -6.426 -1.580 6.461
124 HA SER 14 HA SER 14 -6.657 -3.952 7.402
125 1HB SER 14 2HB SER 14 -7.084 -3.314 4.493
126 2HB SER 14 1HB SER 14 -7.637 -4.813 5.236
127 HG SER 14 HG SER 14 -8.368 -2.650 6.695
128 H ARG 15 H ARG 15 -5.547 -4.370 4.145
129 HA ARG 15 HA ARG 15 -2.995 -5.368 4.602
130 1HB ARG 15 2HB ARG 15 -3.638 -7.871 4.206
131 2HB ARG 15 1HB ARG 15 -3.673 -7.206 5.832
132 1HG ARG 15 2HG ARG 15 -5.854 -7.575 6.044
133 2HG ARG 15 1HG ARG 15 -6.209 -6.892 4.455
134 1HD ARG 15 2HD ARG 15 -5.333 -9.062 3.483
135 2HD ARG 15 1HD ARG 15 -5.363 -9.701 5.125
136 HE ARG 15 HE ARG 15 -7.620 -9.216 3.405
137 1HH1 ARG 15 1HH1 ARG 15 -6.539 -9.598 6.693
138 2HH1 ARG 15 2HH1 ARG 15 -8.087 -10.109 7.280
139 1HH2 ARG 15 1HH2 ARG 15 -9.663 -9.891 4.167
140 2HH2 ARG 15 2HH2 ARG 15 -9.862 -10.276 5.844
141 H SER 16 H SER 16 -4.442 -3.858 2.756
142 HA SER 16 HA SER 16 -3.374 -4.821 0.332
143 1HB SER 16 2HB SER 16 -6.291 -4.782 -0.064
144 2HB SER 16 1HB SER 16 -5.076 -5.865 -0.740
145 HG SER 16 HG SER 16 -6.689 -6.723 0.859
146 H ASN 17 H ASN 17 -3.143 -2.428 1.582
147 HA ASN 17 HA ASN 17 -4.176 -0.643 -0.427
148 1HB ASN 17 2HB ASN 17 -5.607 -0.972 2.001
149 2HB ASN 17 1HB ASN 17 -4.838 0.610 2.043
150 1HD2 ASN 17 1HD2 ASN 17 -6.403 -1.398 -0.433
151 2HD2 ASN 17 2HD2 ASN 17 -7.457 -0.160 -1.015
152 H CYS 18 H CYS 18 -2.815 0.979 -0.790
153 HA CYS 18 HA CYS 18 -0.575 1.342 1.064
154 1HB CYS 18 2HB CYS 18 -0.403 2.714 -1.520
155 2HB CYS 18 1HB CYS 18 0.748 1.645 -0.742
156 HA PRO 19 HA PRO 19 -2.424 5.159 2.366
157 1HB PRO 19 2HB PRO 19 -0.218 6.202 3.602
158 2HB PRO 19 1HB PRO 19 -1.273 4.986 4.329
159 1HG PRO 19 2HG PRO 19 1.356 4.637 2.952
160 2HG PRO 19 1HG PRO 19 0.739 3.848 4.415
161 1HD PRO 19 2HD PRO 19 0.752 2.621 2.011
162 2HD PRO 19 1HD PRO 19 -0.515 2.326 3.218
163 H LYS 20 H LYS 20 -1.077 7.538 2.628
164 HA LYS 20 HA LYS 20 -0.911 8.408 -0.095
165 1HB LYS 20 2HB LYS 20 -0.434 10.641 0.946
166 2HB LYS 20 1HB LYS 20 -1.941 9.893 1.461
167 1HG LYS 20 2HG LYS 20 -0.910 9.167 3.523
168 2HG LYS 20 1HG LYS 20 0.640 9.833 3.004
169 1HD LYS 20 2HD LYS 20 -1.788 11.583 3.146
170 2HD LYS 20 1HD LYS 20 -0.872 11.211 4.610
171 1HE LYS 20 2HE LYS 20 0.816 12.567 4.030
172 2HE LYS 20 1HE LYS 20 0.803 12.014 2.356
173 1HZ LYS 20 1HZ LYS 20 -1.332 13.796 3.316
174 2HZ LYS 20 2HZ LYS 20 -0.721 13.607 1.751
175 3HZ LYS 20 3HZ LYS 20 0.176 14.448 2.912
176 H GLY 21 H GLY 21 0.864 9.237 -1.186
177 1HA GLY 21 2HA GLY 21 3.066 9.014 -1.886
178 2HA GLY 21 1HA GLY 21 3.367 9.849 -0.366
179 H LYS 22 H LYS 22 2.070 6.610 -0.757
180 HA LYS 22 HA LYS 22 4.265 5.572 0.855
181 1HB LYS 22 2HB LYS 22 2.801 3.975 1.601
182 2HB LYS 22 1HB LYS 22 1.665 5.247 1.204
183 1HG LYS 22 2HG LYS 22 2.229 2.693 -0.217
184 2HG LYS 22 1HG LYS 22 0.698 3.366 0.325
185 1HD LYS 22 2HD LYS 22 0.365 4.388 -1.624
186 2HD LYS 22 1HD LYS 22 1.978 5.085 -1.614
187 1HE LYS 22 2HE LYS 22 2.393 2.391 -2.121
188 2HE LYS 22 1HE LYS 22 0.968 2.808 -3.072
189 1HZ LYS 22 1HZ LYS 22 3.669 3.995 -3.211
190 2HZ LYS 22 2HZ LYS 22 2.321 4.774 -3.866
191 3HZ LYS 22 3HZ LYS 22 2.784 3.255 -4.445
192 H VAL 23 H VAL 23 4.410 2.995 0.208
193 HA VAL 23 HA VAL 23 4.568 2.475 -2.577
194 HB VAL 23 HB VAL 23 7.152 1.918 -2.063
195 1HG1 VAL 23 1HG1 VAL 23 7.504 4.268 -3.219
196 2HG1 VAL 23 2HG1 VAL 23 5.749 4.185 -3.368
197 3HG1 VAL 23 3HG1 VAL 23 6.756 2.922 -4.078
198 1HG2 VAL 23 1HG2 VAL 23 8.223 3.769 -0.970
199 2HG2 VAL 23 2HG2 VAL 23 7.026 3.072 0.123
200 3HG2 VAL 23 3HG2 VAL 23 6.672 4.573 -0.734
201 H TRP 24 H TRP 24 4.725 0.246 -2.945
202 HA TRP 24 HA TRP 24 4.260 -1.393 -0.676
203 1HB TRP 24 2HB TRP 24 3.096 -2.030 -2.580
204 2HB TRP 24 1HB TRP 24 4.508 -1.854 -3.583
205 HD1 TRP 24 HD TRP 24 6.014 -3.964 -3.952
206 HE1 TRP 24 1HE TRP 24 5.743 -6.444 -3.355
207 HE3 TRP 24 3HE TRP 24 2.234 -3.539 -0.574
208 HZ2 TRP 24 2HZ TRP 24 4.117 -8.019 -1.673
209 HZ3 TRP 24 3HZ TRP 24 1.393 -5.586 0.499
210 HH2 TRP 24 HH TRP 24 2.302 -7.772 -0.041
211 H ASN 25 H ASN 25 5.386 -3.400 -0.333
212 HA ASN 25 HA ASN 25 8.267 -3.339 -0.817
213 1HB ASN 25 2HB ASN 25 8.624 -2.532 1.265
214 2HB ASN 25 1HB ASN 25 6.952 -2.792 1.737
215 1HD2 ASN 25 1HD2 ASN 25 9.961 -3.495 2.591
216 2HD2 ASN 25 2HD2 ASN 25 9.741 -5.042 3.324
217 H GLY 26 H GLY 26 9.182 -5.496 0.242
218 1HA GLY 26 2HA GLY 26 8.520 -7.657 -1.118
219 2HA GLY 26 1HA GLY 26 8.976 -7.795 0.569
220 H PHE 27 H PHE 27 6.474 -6.470 1.539
221 HA PHE 27 HA PHE 27 4.312 -8.053 0.572
222 1HB PHE 27 2HB PHE 27 5.428 -8.705 3.299
223 2HB PHE 27 1HB PHE 27 3.937 -9.350 2.621
224 HD1 PHE 27 1HD PHE 27 7.596 -9.395 2.424
225 HD2 PHE 27 2HD PHE 27 3.971 -11.095 0.984
226 HE1 PHE 27 1HE PHE 27 8.869 -11.240 1.411
227 HE2 PHE 27 2HE PHE 27 5.239 -12.947 -0.031
228 HZ PHE 27 HZ PHE 27 7.690 -13.019 0.182
229 H ASP 28 H ASP 28 4.526 -5.273 0.859
230 HA ASP 28 HA ASP 28 2.198 -4.746 2.430
231 1HB ASP 28 2HB ASP 28 4.859 -4.111 3.605
232 2HB ASP 28 1HB ASP 28 3.496 -3.042 3.916
233 H CYS 29 H CYS 29 1.296 -2.743 2.027
234 HA CYS 29 HA CYS 29 2.674 -1.139 -0.004
235 1HB CYS 29 2HB CYS 29 -0.009 -2.025 0.298
236 2HB CYS 29 1HB CYS 29 0.005 -0.271 0.409
237 H LYS 30 H LYS 30 3.993 0.180 1.216
238 HA LYS 30 HA LYS 30 2.726 2.378 2.566
239 1HB LYS 30 2HB LYS 30 3.584 0.102 4.068
240 2HB LYS 30 1HB LYS 30 4.560 1.492 4.513
241 1HG LYS 30 2HG LYS 30 2.906 1.993 5.898
242 2HG LYS 30 1HG LYS 30 2.074 2.567 4.459
243 1HD LYS 30 2HD LYS 30 0.834 0.967 6.058
244 2HD LYS 30 1HD LYS 30 0.730 0.679 4.326
245 1HE LYS 30 2HE LYS 30 1.840 -1.277 4.462
246 2HE LYS 30 1HE LYS 30 2.985 -0.654 5.649
247 1HZ LYS 30 1HZ LYS 30 1.570 -2.428 6.537
248 2HZ LYS 30 2HZ LYS 30 0.198 -1.478 6.258
249 3HZ LYS 30 3HZ LYS 30 1.362 -0.973 7.377
250 H SER 31 H SER 31 4.030 4.186 2.724
251 HA SER 31 HA SER 31 6.047 4.682 1.028
252 1HB SER 31 2HB SER 31 6.754 6.105 3.388
253 2HB SER 31 1HB SER 31 5.850 6.692 1.991
254 HG SER 31 HG SER 31 4.786 6.775 4.137
255 HA PRO 32 HA PRO 32 9.762 2.774 2.397
256 1HB PRO 32 2HB PRO 32 11.680 4.569 1.834
257 2HB PRO 32 1HB PRO 32 10.741 3.779 0.562
258 1HG PRO 32 2HG PRO 32 10.450 6.520 1.709
259 2HG PRO 32 1HG PRO 32 10.292 5.983 0.028
260 1HD PRO 32 2HD PRO 32 8.173 6.460 1.735
261 2HD PRO 32 1HD PRO 32 8.099 5.423 0.300
262 H PHE 33 H PHE 33 8.974 5.799 3.837
263 HA PHE 33 HA PHE 33 11.029 5.812 5.805
264 1HB PHE 33 2HB PHE 33 8.389 7.086 6.313
265 2HB PHE 33 1HB PHE 33 10.008 7.704 6.614
266 HD1 PHE 33 1HD PHE 33 11.420 8.185 4.448
267 HD2 PHE 33 2HD PHE 33 7.173 7.965 4.582
268 HE1 PHE 33 1HE PHE 33 11.289 9.521 2.387
269 HE2 PHE 33 2HE PHE 33 7.034 9.298 2.521
270 HZ PHE 33 HZ PHE 33 9.094 10.079 1.419
271 H ALA 34 H ALA 34 8.444 3.780 5.324
272 HA ALA 34 HA ALA 34 8.389 3.031 8.166
273 1HB ALA 34 1HB ALA 34 6.153 3.072 8.247
274 2HB ALA 34 2HB ALA 34 5.992 2.331 6.654
275 3HB ALA 34 3HB ALA 34 6.261 4.068 6.794
276 H PHE 35 H PHE 35 10.235 1.898 6.519
277 HA PHE 35 HA PHE 35 9.418 -0.870 6.583
278 1HB PHE 35 2HB PHE 35 9.977 0.553 3.999
279 2HB PHE 35 1HB PHE 35 10.412 -1.144 4.170
280 HD1 PHE 35 1HD PHE 35 8.077 -1.952 5.941
281 HD2 PHE 35 2HD PHE 35 8.300 0.348 2.367
282 HE1 PHE 35 1HE PHE 35 5.773 -2.601 5.386
283 HE2 PHE 35 2HE PHE 35 5.993 -0.296 1.805
284 HZ PHE 35 HZ PHE 35 4.727 -1.772 3.316
285 H SER 36 H SER 36 11.172 0.220 8.240
286 HA SER 36 HA SER 36 13.295 0.122 9.053
287 1HB SER 36 2HB SER 36 13.088 -2.250 7.252
288 2HB SER 36 1HB SER 36 14.674 -1.834 7.900
289 HG SER 36 HG SER 36 14.020 -2.845 9.616
Start of MODEL 20
1 1H GLU 1 1HT GLU 1 -8.242 -8.106 -5.623
2 2H GLU 1 2HT GLU 1 -8.536 -7.909 -3.943
3 3H GLU 1 3HT GLU 1 -7.179 -8.814 -4.479
4 HA GLU 1 HA GLU 1 -6.871 -6.441 -5.703
5 1HB GLU 1 2HB GLU 1 -7.087 -4.825 -3.809
6 2HB GLU 1 1HB GLU 1 -8.627 -5.435 -4.397
7 1HG GLU 1 2HG GLU 1 -7.796 -7.167 -2.339
8 2HG GLU 1 1HG GLU 1 -7.545 -5.519 -1.765
9 H LEU 2 H LEU 2 -5.108 -8.183 -5.643
10 HA LEU 2 HA LEU 2 -3.488 -8.269 -3.262
11 1HB LEU 2 2HB LEU 2 -3.727 -10.187 -4.843
12 2HB LEU 2 1HB LEU 2 -2.827 -9.265 -6.028
13 HG LEU 2 HG LEU 2 -1.199 -9.246 -3.768
14 1HD1 LEU 2 1HD1 LEU 2 -1.000 -11.815 -3.509
15 2HD1 LEU 2 2HD1 LEU 2 -2.678 -11.828 -4.056
16 3HD1 LEU 2 3HD1 LEU 2 -2.234 -10.949 -2.593
17 1HD2 LEU 2 1HD2 LEU 2 0.127 -10.908 -5.169
18 2HD2 LEU 2 2HD2 LEU 2 -0.269 -9.364 -5.922
19 3HD2 LEU 2 3HD2 LEU 2 -1.194 -10.808 -6.334
20 HA PRO 3 HA PRO 3 -0.725 -5.411 -5.845
21 1HB PRO 3 2HB PRO 3 -1.427 -4.663 -8.289
22 2HB PRO 3 1HB PRO 3 -0.844 -6.305 -7.993
23 1HG PRO 3 2HG PRO 3 -3.628 -5.335 -8.432
24 2HG PRO 3 1HG PRO 3 -2.868 -6.846 -8.961
25 1HD PRO 3 2HD PRO 3 -4.505 -6.493 -6.692
26 2HD PRO 3 1HD PRO 3 -3.504 -7.908 -7.060
27 H LYS 4 H LYS 4 -2.200 -4.340 -4.021
28 HA LYS 4 HA LYS 4 -3.973 -2.275 -4.865
29 1HB LYS 4 2HB LYS 4 -4.194 -1.726 -2.587
30 2HB LYS 4 1HB LYS 4 -3.968 -3.469 -2.619
31 1HG LYS 4 2HG LYS 4 -1.421 -2.195 -2.401
32 2HG LYS 4 1HG LYS 4 -2.507 -1.554 -1.170
33 1HD LYS 4 2HD LYS 4 -2.171 -3.388 0.035
34 2HD LYS 4 1HD LYS 4 -2.909 -4.345 -1.252
35 1HE LYS 4 2HE LYS 4 -0.474 -4.031 -2.303
36 2HE LYS 4 1HE LYS 4 -0.053 -3.911 -0.595
37 1HZ LYS 4 1HZ LYS 4 -1.200 -6.046 -0.246
38 2HZ LYS 4 2HZ LYS 4 0.112 -6.181 -1.305
39 3HZ LYS 4 3HZ LYS 4 -1.465 -6.166 -1.914
40 H LEU 5 H LEU 5 -3.655 -0.137 -5.126
41 HA LEU 5 HA LEU 5 -1.083 1.049 -4.506
42 1HB LEU 5 2HB LEU 5 -1.455 2.092 -6.983
43 2HB LEU 5 1HB LEU 5 -0.380 0.757 -6.613
44 HG LEU 5 HG LEU 5 -2.489 -0.719 -7.073
45 1HD1 LEU 5 1HD1 LEU 5 -3.242 1.346 -9.036
46 2HD1 LEU 5 2HD1 LEU 5 -3.732 1.641 -7.368
47 3HD1 LEU 5 3HD1 LEU 5 -4.239 0.164 -8.187
48 1HD2 LEU 5 1HD2 LEU 5 -1.432 -1.279 -8.958
49 2HD2 LEU 5 2HD2 LEU 5 -0.272 -0.022 -8.526
50 3HD2 LEU 5 3HD2 LEU 5 -1.593 0.339 -9.639
51 HA PRO 6 HA PRO 6 -4.914 3.921 -4.517
52 1HB PRO 6 2HB PRO 6 -6.031 3.574 -2.095
53 2HB PRO 6 1HB PRO 6 -6.493 2.582 -3.483
54 1HG PRO 6 2HG PRO 6 -4.663 1.931 -1.213
55 2HG PRO 6 1HG PRO 6 -5.874 0.909 -2.007
56 1HD PRO 6 2HD PRO 6 -3.188 0.786 -2.533
57 2HD PRO 6 1HD PRO 6 -4.453 0.314 -3.677
58 H ASP 7 H ASP 7 -5.414 5.565 -2.534
59 HA ASP 7 HA ASP 7 -3.446 6.052 -0.628
60 1HB ASP 7 2HB ASP 7 -1.903 7.471 -1.586
61 2HB ASP 7 1HB ASP 7 -2.210 6.374 -2.922
62 H ASP 8 H ASP 8 -5.333 7.882 -3.018
63 HA ASP 8 HA ASP 8 -6.505 9.407 -0.784
64 1HB ASP 8 2HB ASP 8 -5.305 10.291 -3.282
65 2HB ASP 8 1HB ASP 8 -6.942 10.907 -3.086
66 H LYS 9 H LYS 9 -7.368 6.866 -2.151
67 HA LYS 9 HA LYS 9 -10.011 7.788 -3.067
68 1HB LYS 9 2HB LYS 9 -9.392 5.037 -3.755
69 2HB LYS 9 1HB LYS 9 -9.930 6.354 -4.786
70 1HG LYS 9 2HG LYS 9 -7.388 7.102 -4.431
71 2HG LYS 9 1HG LYS 9 -7.205 5.358 -4.241
72 1HD LYS 9 2HD LYS 9 -8.849 6.271 -6.523
73 2HD LYS 9 1HD LYS 9 -7.117 6.601 -6.619
74 1HE LYS 9 2HE LYS 9 -7.516 3.930 -5.686
75 2HE LYS 9 1HE LYS 9 -8.469 4.178 -7.148
76 1HZ LYS 9 1HZ LYS 9 -6.223 5.263 -7.946
77 2HZ LYS 9 2HZ LYS 9 -6.493 3.597 -8.067
78 3HZ LYS 9 3HZ LYS 9 -5.568 4.212 -6.791
79 H VAL 10 H VAL 10 -8.402 5.068 -1.449
80 HA VAL 10 HA VAL 10 -10.695 4.877 0.369
81 HB VAL 10 HB VAL 10 -9.375 2.564 -1.052
82 1HG1 VAL 10 1HG1 VAL 10 -11.564 2.387 1.000
83 2HG1 VAL 10 2HG1 VAL 10 -9.856 2.192 1.397
84 3HG1 VAL 10 3HG1 VAL 10 -10.636 1.073 0.279
85 1HG2 VAL 10 1HG2 VAL 10 -11.339 2.257 -2.212
86 2HG2 VAL 10 2HG2 VAL 10 -11.269 4.016 -2.112
87 3HG2 VAL 10 3HG2 VAL 10 -12.309 3.111 -1.011
88 H LEU 11 H LEU 11 -7.355 3.975 -0.313
89 HA LEU 11 HA LEU 11 -5.687 3.219 1.102
90 1HB LEU 11 2HB LEU 11 -4.863 5.019 2.437
91 2HB LEU 11 1HB LEU 11 -5.557 5.697 0.977
92 HG LEU 11 HG LEU 11 -7.671 5.779 2.721
93 1HD1 LEU 11 1HD1 LEU 11 -5.519 5.303 4.363
94 2HD1 LEU 11 2HD1 LEU 11 -7.050 6.032 4.847
95 3HD1 LEU 11 3HD1 LEU 11 -5.684 7.058 4.414
96 1HD2 LEU 11 1HD2 LEU 11 -5.636 7.956 2.288
97 2HD2 LEU 11 2HD2 LEU 11 -7.336 8.158 2.714
98 3HD2 LEU 11 3HD2 LEU 11 -6.893 7.513 1.133
99 H ILE 12 H ILE 12 -6.568 1.377 2.041
100 HA ILE 12 HA ILE 12 -7.667 1.727 4.748
101 HB ILE 12 HB ILE 12 -7.973 -0.973 3.904
102 1HG1 ILE 12 2HG1 ILE 12 -9.804 0.454 2.140
103 2HG1 ILE 12 1HG1 ILE 12 -8.129 0.621 1.635
104 1HG2 ILE 12 1HG2 ILE 12 -9.427 -0.343 5.512
105 2HG2 ILE 12 2HG2 ILE 12 -10.470 -0.172 4.099
106 3HG2 ILE 12 3HG2 ILE 12 -9.701 1.250 4.808
107 1HD1 ILE 12 1HD1 ILE 12 -8.014 -1.931 1.943
108 2HD1 ILE 12 2HD1 ILE 12 -8.827 -1.273 0.522
109 3HD1 ILE 12 3HD1 ILE 12 -9.775 -1.851 1.892
110 H ARG 13 H ARG 13 -6.979 0.305 6.385
111 HA ARG 13 HA ARG 13 -4.220 -0.578 6.063
112 1HB ARG 13 2HB ARG 13 -5.823 0.420 8.230
113 2HB ARG 13 1HB ARG 13 -5.187 -1.160 8.664
114 1HG ARG 13 2HG ARG 13 -3.008 0.129 7.566
115 2HG ARG 13 1HG ARG 13 -3.837 1.399 8.467
116 1HD ARG 13 2HD ARG 13 -3.598 -1.176 9.867
117 2HD ARG 13 1HD ARG 13 -2.071 -0.357 9.545
118 HE ARG 13 HE ARG 13 -4.054 1.371 10.683
119 1HH1 ARG 13 1HH1 ARG 13 -1.596 -0.993 11.398
120 2HH1 ARG 13 2HH1 ARG 13 -1.330 -0.417 13.010
121 1HH2 ARG 13 1HH2 ARG 13 -3.711 2.134 12.803
122 2HH2 ARG 13 2HH2 ARG 13 -2.534 1.357 13.809
123 H SER 14 H SER 14 -7.363 -1.772 5.941
124 HA SER 14 HA SER 14 -7.777 -4.121 6.911
125 1HB SER 14 2HB SER 14 -7.934 -3.292 4.054
126 2HB SER 14 1HB SER 14 -8.281 -4.972 4.467
127 HG SER 14 HG SER 14 -9.531 -2.712 5.647
128 H ARG 15 H ARG 15 -6.239 -4.578 3.827
129 HA ARG 15 HA ARG 15 -3.819 -5.677 4.678
130 1HB ARG 15 2HB ARG 15 -4.303 -8.102 4.350
131 2HB ARG 15 1HB ARG 15 -5.089 -7.413 5.765
132 1HG ARG 15 2HG ARG 15 -7.023 -8.192 5.032
133 2HG ARG 15 1HG ARG 15 -6.896 -7.132 3.626
134 1HD ARG 15 2HD ARG 15 -7.184 -9.681 3.269
135 2HD ARG 15 1HD ARG 15 -6.017 -8.799 2.285
136 HE ARG 15 HE ARG 15 -4.306 -9.930 3.336
137 1HH1 ARG 15 1HH1 ARG 15 -7.314 -10.520 4.988
138 2HH1 ARG 15 2HH1 ARG 15 -6.676 -11.796 5.969
139 1HH2 ARG 15 1HH2 ARG 15 -3.455 -11.612 4.622
140 2HH2 ARG 15 2HH2 ARG 15 -4.482 -12.418 5.760
141 H SER 16 H SER 16 -4.891 -4.073 2.633
142 HA SER 16 HA SER 16 -3.431 -4.999 0.426
143 1HB SER 16 2HB SER 16 -6.311 -5.746 0.457
144 2HB SER 16 1HB SER 16 -5.635 -5.176 -1.069
145 HG SER 16 HG SER 16 -4.567 -7.283 0.508
146 H ASN 17 H ASN 17 -3.316 -2.599 1.530
147 HA ASN 17 HA ASN 17 -4.184 -0.877 -0.608
148 1HB ASN 17 2HB ASN 17 -5.736 -1.078 1.788
149 2HB ASN 17 1HB ASN 17 -4.999 0.519 1.707
150 1HD2 ASN 17 1HD2 ASN 17 -6.366 -1.734 -0.670
151 2HD2 ASN 17 2HD2 ASN 17 -7.438 -0.587 -1.394
152 H CYS 18 H CYS 18 -3.097 1.108 -0.665
153 HA CYS 18 HA CYS 18 -0.871 1.337 1.248
154 1HB CYS 18 2HB CYS 18 -0.414 2.693 -1.282
155 2HB CYS 18 1HB CYS 18 0.598 1.544 -0.431
156 HA PRO 19 HA PRO 19 -2.656 5.197 2.491
157 1HB PRO 19 2HB PRO 19 0.160 5.869 3.158
158 2HB PRO 19 1HB PRO 19 -1.278 5.897 4.183
159 1HG PRO 19 2HG PRO 19 0.543 3.969 4.442
160 2HG PRO 19 1HG PRO 19 -1.188 3.618 4.601
161 1HD PRO 19 2HD PRO 19 0.652 3.085 2.307
162 2HD PRO 19 1HD PRO 19 -0.670 2.089 2.947
163 H LYS 20 H LYS 20 -0.795 7.486 2.547
164 HA LYS 20 HA LYS 20 -1.134 8.338 -0.215
165 1HB LYS 20 2HB LYS 20 -0.629 10.566 0.632
166 2HB LYS 20 1HB LYS 20 -1.862 9.800 1.629
167 1HG LYS 20 2HG LYS 20 -0.528 9.691 3.444
168 2HG LYS 20 1HG LYS 20 0.934 9.436 2.489
169 1HD LYS 20 2HD LYS 20 0.167 11.997 1.815
170 2HD LYS 20 1HD LYS 20 -0.207 11.899 3.537
171 1HE LYS 20 2HE LYS 20 1.982 12.564 3.635
172 2HE LYS 20 1HE LYS 20 2.184 10.812 3.660
173 1HZ LYS 20 1HZ LYS 20 3.583 12.236 2.041
174 2HZ LYS 20 2HZ LYS 20 2.185 12.247 1.090
175 3HZ LYS 20 3HZ LYS 20 2.918 10.778 1.495
176 H GLY 21 H GLY 21 0.524 9.034 -1.556
177 1HA GLY 21 2HA GLY 21 2.617 8.595 -2.511
178 2HA GLY 21 1HA GLY 21 3.074 9.698 -1.220
179 H LYS 22 H LYS 22 1.948 6.369 -1.070
180 HA LYS 22 HA LYS 22 4.118 5.675 0.701
181 1HB LYS 22 2HB LYS 22 2.822 3.350 0.425
182 2HB LYS 22 1HB LYS 22 2.264 4.624 1.497
183 1HG LYS 22 2HG LYS 22 0.477 3.637 0.124
184 2HG LYS 22 1HG LYS 22 0.672 5.371 -0.127
185 1HD LYS 22 2HD LYS 22 0.361 4.240 -2.256
186 2HD LYS 22 1HD LYS 22 1.983 4.920 -2.155
187 1HE LYS 22 2HE LYS 22 2.318 2.398 -1.130
188 2HE LYS 22 1HE LYS 22 1.129 2.148 -2.407
189 1HZ LYS 22 1HZ LYS 22 3.470 3.774 -3.024
190 2HZ LYS 22 2HZ LYS 22 2.578 2.740 -4.016
191 3HZ LYS 22 3HZ LYS 22 3.672 2.101 -2.901
192 H VAL 23 H VAL 23 4.529 3.045 0.128
193 HA VAL 23 HA VAL 23 5.355 2.612 -2.561
194 HB VAL 23 HB VAL 23 7.740 2.177 -1.619
195 1HG1 VAL 23 1HG1 VAL 23 7.534 5.042 -1.957
196 2HG1 VAL 23 2HG1 VAL 23 6.545 4.171 -3.129
197 3HG1 VAL 23 3HG1 VAL 23 8.273 3.839 -3.016
198 1HG2 VAL 23 1HG2 VAL 23 7.369 2.697 0.670
199 2HG2 VAL 23 2HG2 VAL 23 6.670 4.260 0.254
200 3HG2 VAL 23 3HG2 VAL 23 8.388 3.969 -0.002
201 H TRP 24 H TRP 24 4.808 0.476 -2.771
202 HA TRP 24 HA TRP 24 4.481 -1.178 -0.525
203 1HB TRP 24 2HB TRP 24 3.115 -1.735 -2.304
204 2HB TRP 24 1HB TRP 24 4.428 -1.612 -3.447
205 HD1 TRP 24 HD TRP 24 5.828 -3.790 -3.945
206 HE1 TRP 24 1HE TRP 24 5.487 -6.265 -3.362
207 HE3 TRP 24 3HE TRP 24 2.330 -3.253 -0.307
208 HZ2 TRP 24 2HZ TRP 24 3.922 -7.793 -1.586
209 HZ3 TRP 24 3HZ TRP 24 1.474 -5.273 0.810
210 HH2 TRP 24 HH TRP 24 2.244 -7.490 0.180
211 H ASN 25 H ASN 25 5.466 -3.289 -0.313
212 HA ASN 25 HA ASN 25 8.283 -3.457 -1.058
213 1HB ASN 25 2HB ASN 25 8.961 -2.701 0.951
214 2HB ASN 25 1HB ASN 25 7.312 -2.673 1.557
215 1HD2 ASN 25 1HD2 ASN 25 10.328 -4.062 1.852
216 2HD2 ASN 25 2HD2 ASN 25 9.903 -5.413 2.842
217 H GLY 26 H GLY 26 9.149 -5.638 0.020
218 1HA GLY 26 2HA GLY 26 8.216 -7.781 -1.221
219 2HA GLY 26 1HA GLY 26 8.822 -7.910 0.421
220 H PHE 27 H PHE 27 6.535 -6.364 1.555
221 HA PHE 27 HA PHE 27 4.169 -7.784 0.863
222 1HB PHE 27 2HB PHE 27 5.840 -8.718 3.129
223 2HB PHE 27 1HB PHE 27 4.096 -8.680 3.372
224 HD1 PHE 27 1HD PHE 27 6.508 -10.891 2.778
225 HD2 PHE 27 2HD PHE 27 2.967 -9.482 0.886
226 HE1 PHE 27 1HE PHE 27 6.293 -13.037 1.594
227 HE2 PHE 27 2HE PHE 27 2.741 -11.625 -0.299
228 HZ PHE 27 HZ PHE 27 4.406 -13.407 0.053
229 H ASP 28 H ASP 28 4.542 -5.047 0.972
230 HA ASP 28 HA ASP 28 2.507 -4.303 2.836
231 1HB ASP 28 2HB ASP 28 5.337 -3.856 3.597
232 2HB ASP 28 1HB ASP 28 4.172 -2.587 3.952
233 H CYS 29 H CYS 29 1.471 -2.601 2.056
234 HA CYS 29 HA CYS 29 2.774 -0.976 -0.007
235 1HB CYS 29 2HB CYS 29 0.232 -2.129 0.221
236 2HB CYS 29 1HB CYS 29 -0.010 -0.401 0.444
237 H LYS 30 H LYS 30 3.966 0.473 1.315
238 HA LYS 30 HA LYS 30 2.470 2.719 2.227
239 1HB LYS 30 2HB LYS 30 4.053 1.991 4.535
240 2HB LYS 30 1HB LYS 30 2.382 2.517 4.442
241 1HG LYS 30 2HG LYS 30 2.940 -0.255 3.631
242 2HG LYS 30 1HG LYS 30 3.129 0.138 5.337
243 1HD LYS 30 2HD LYS 30 0.911 0.452 5.653
244 2HD LYS 30 1HD LYS 30 0.682 1.177 4.061
245 1HE LYS 30 2HE LYS 30 -0.096 -0.748 3.264
246 2HE LYS 30 1HE LYS 30 1.383 -1.577 3.748
247 1HZ LYS 30 1HZ LYS 30 -0.505 -1.019 5.880
248 2HZ LYS 30 2HZ LYS 30 0.421 -2.403 5.586
249 3HZ LYS 30 3HZ LYS 30 -1.016 -2.154 4.733
250 H SER 31 H SER 31 3.809 4.405 3.137
251 HA SER 31 HA SER 31 5.818 5.223 1.575
252 1HB SER 31 2HB SER 31 6.550 6.725 3.315
253 2HB SER 31 1HB SER 31 4.803 6.531 3.469
254 HG SER 31 HG SER 31 5.606 4.695 4.984
255 HA PRO 32 HA PRO 32 9.381 2.744 2.314
256 1HB PRO 32 2HB PRO 32 11.381 4.383 1.626
257 2HB PRO 32 1HB PRO 32 10.193 3.839 0.435
258 1HG PRO 32 2HG PRO 32 10.356 6.447 1.894
259 2HG PRO 32 1HG PRO 32 9.969 6.139 0.191
260 1HD PRO 32 2HD PRO 32 8.092 6.609 2.154
261 2HD PRO 32 1HD PRO 32 7.767 5.730 0.649
262 H PHE 33 H PHE 33 8.612 5.221 4.351
263 HA PHE 33 HA PHE 33 11.046 5.215 5.911
264 1HB PHE 33 2HB PHE 33 8.485 6.307 6.970
265 2HB PHE 33 1HB PHE 33 10.120 6.949 7.105
266 HD1 PHE 33 1HD PHE 33 10.833 6.887 4.177
267 HD2 PHE 33 2HD PHE 33 7.346 8.214 6.222
268 HE1 PHE 33 1HE PHE 33 10.364 8.462 2.347
269 HE2 PHE 33 2HE PHE 33 6.868 9.791 4.396
270 HZ PHE 33 HZ PHE 33 8.379 9.917 2.454
271 H ALA 34 H ALA 34 8.134 3.437 5.703
272 HA ALA 34 HA ALA 34 8.449 2.376 8.410
273 1HB ALA 34 1HB ALA 34 6.237 1.784 6.457
274 2HB ALA 34 2HB ALA 34 6.204 3.130 7.596
275 3HB ALA 34 3HB ALA 34 6.251 1.470 8.192
276 H PHE 35 H PHE 35 10.290 1.805 6.271
277 HA PHE 35 HA PHE 35 10.544 -1.011 6.647
278 1HB PHE 35 2HB PHE 35 10.124 -0.155 3.778
279 2HB PHE 35 1HB PHE 35 10.280 -1.793 4.405
280 HD1 PHE 35 1HD PHE 35 8.431 -2.822 5.649
281 HD2 PHE 35 2HD PHE 35 8.049 1.003 3.825
282 HE1 PHE 35 1HE PHE 35 5.985 -2.976 5.849
283 HE2 PHE 35 2HE PHE 35 5.603 0.856 4.020
284 HZ PHE 35 HZ PHE 35 4.566 -1.133 5.034
285 H SER 36 H SER 36 12.021 1.545 6.923
286 HA SER 36 HA SER 36 14.586 0.636 6.243
287 1HB SER 36 2HB SER 36 15.196 1.868 4.348
288 2HB SER 36 1HB SER 36 13.567 1.321 3.951
289 HG SER 36 HG SER 36 13.852 3.551 3.522